- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ able=10.0 structure=0.75 smooth=1.0 volume=0.01 rsupport=1.0 tsupport=1.5 q uality=0.2 violation=0.0 Peak 2 (11.10, 11.10, 134.86 ppm): 1 diagonal assignment: * HE1 TRP 49 - HE1 TRP 49 (1.00) kept Peak 3 (8.71, 8.71, 131.46 ppm): 1 diagonal assignment: * HN ALA 20 - HN ALA 20 (1.00) kept Peak 4 (8.93, 8.93, 131.32 ppm): 1 diagonal assignment: * HN ILE 19 - HN ILE 19 (1.00) kept Peak 5 (10.20, 10.20, 129.00 ppm): 1 diagonal assignment: * HE1 TRP 27 - HE1 TRP 27 (1.00) kept Peak 6 (8.53, 8.53, 128.95 ppm): 1 diagonal assignment: * HN VAL 75 - HN VAL 75 (1.00) kept Peak 7 (9.14, 9.14, 128.89 ppm): 1 diagonal assignment: * HN VAL 108 - HN VAL 108 (1.00) kept Peak 8 (9.10, 9.10, 128.88 ppm): 1 diagonal assignment: * HN ASP- 76 - HN ASP- 76 (1.00) kept Peak 9 (7.45, 7.45, 128.80 ppm): 1 diagonal assignment: * HN ALA 124 - HN ALA 124 (1.00) kept Peak 10 (10.56, 10.56, 128.74 ppm): 1 diagonal assignment: * HE1 TRP 87 - HE1 TRP 87 (1.00) kept Peak 11 (9.38, 9.38, 128.74 ppm): 1 diagonal assignment: * HN LEU 104 - HN LEU 104 (1.00) kept Peak 12 (8.15, 8.15, 128.27 ppm): 1 diagonal assignment: * HN LEU 71 - HN LEU 71 (1.00) kept Peak 13 (9.02, 9.02, 128.16 ppm): 1 diagonal assignment: * HN VAL 41 - HN VAL 41 (1.00) kept Peak 14 (8.88, 8.88, 128.13 ppm): 1 diagonal assignment: * HN LEU 40 - HN LEU 40 (1.00) kept Peak 15 (10.11, 10.11, 128.03 ppm): 1 diagonal assignment: * HN GLU- 100 - HN GLU- 100 (1.00) kept Peak 16 (9.36, 9.36, 127.59 ppm): 1 diagonal assignment: * HN PHE 72 - HN PHE 72 (1.00) kept Peak 17 (8.62, 8.62, 127.39 ppm): 1 diagonal assignment: * HN GLN 90 - HN GLN 90 (1.00) kept Peak 18 (7.41, 7.41, 127.14 ppm): 1 diagonal assignment: * HN ALA 57 - HN ALA 57 (1.00) kept Peak 19 (8.95, 8.95, 126.35 ppm): 1 diagonal assignment: * HN VAL 42 - HN VAL 42 (1.00) kept Peak 20 (9.16, 9.16, 125.94 ppm): 1 diagonal assignment: * HN VAL 43 - HN VAL 43 (1.00) kept Peak 21 (8.74, 8.74, 125.75 ppm): 1 diagonal assignment: * HN PHE 45 - HN PHE 45 (1.00) kept Peak 22 (7.58, 7.58, 125.75 ppm): 1 diagonal assignment: * HN LYS+ 111 - HN LYS+ 111 (1.00) kept Peak 23 (9.69, 9.69, 125.68 ppm): 1 diagonal assignment: * HN LEU 98 - HN LEU 98 (1.00) kept Peak 24 (9.57, 9.57, 125.50 ppm): 1 diagonal assignment: * HN VAL 107 - HN VAL 107 (1.00) kept Peak 25 (9.87, 9.87, 125.46 ppm): 1 diagonal assignment: * HN PHE 95 - HN PHE 95 (1.00) kept Peak 26 (8.37, 8.37, 125.10 ppm): 1 diagonal assignment: * HN ALA 12 - HN ALA 12 (0.72) kept Peak 27 (7.98, 7.98, 124.64 ppm): 1 diagonal assignment: * HN VAL 70 - HN VAL 70 (1.00) kept Peak 28 (8.31, 8.31, 124.24 ppm): 1 diagonal assignment: * HN ASP- 86 - HN ASP- 86 (1.00) kept Peak 29 (8.49, 8.49, 124.18 ppm): 1 diagonal assignment: * HN LYS+ 112 - HN LYS+ 112 (1.00) kept Peak 30 (8.39, 8.39, 124.20 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 31 (8.40, 8.40, 123.79 ppm): 1 diagonal assignment: * HN PHE 97 - HN PHE 97 (1.00) kept Peak 32 (6.59, 6.59, 123.60 ppm): 1 diagonal assignment: * HN VAL 83 - HN VAL 83 (0.75) kept Peak 33 (9.32, 9.32, 123.66 ppm): 1 diagonal assignment: * HN MET 96 - HN MET 96 (0.85) kept Peak 34 (8.78, 8.78, 123.55 ppm): 1 diagonal assignment: * HN ASP- 44 - HN ASP- 44 (1.00) kept Peak 35 (9.21, 9.21, 123.27 ppm): 1 diagonal assignment: * HN VAL 24 - HN VAL 24 (1.00) kept Peak 36 (7.73, 7.73, 123.24 ppm): 2 diagonal assignments: * HN TRP 27 - HN TRP 27 (1.00) kept HN ALA 91 - HN ALA 91 (0.09) kept Peak 37 (8.40, 8.40, 122.87 ppm): 1 diagonal assignment: * HN LEU 115 - HN LEU 115 (1.00) kept Peak 38 (7.72, 7.72, 122.85 ppm): 2 diagonal assignments: * HN ALA 91 - HN ALA 91 (1.00) kept HN TRP 27 - HN TRP 27 (0.09) kept Peak 39 (8.32, 8.32, 122.30 ppm): 1 diagonal assignment: * HN GLU- 14 - HN GLU- 14 (0.70) kept Peak 40 (8.48, 8.48, 122.27 ppm): 1 diagonal assignment: * HN MET 11 - HN MET 11 (1.00) kept Peak 41 (8.75, 8.75, 122.21 ppm): 1 diagonal assignment: * HN ALA 110 - HN ALA 110 (1.00) kept Peak 42 (8.62, 8.62, 122.05 ppm): 1 diagonal assignment: * HN ILE 103 - HN ILE 103 (1.00) kept Peak 43 (8.16, 8.16, 121.97 ppm): 1 diagonal assignment: * HN GLU- 114 - HN GLU- 114 (1.00) kept Peak 44 (6.60, 6.60, 121.96 ppm): 1 diagonal assignment: * HN CYS 50 - HN CYS 50 (1.00) kept Peak 45 (7.29, 7.29, 121.74 ppm): 1 diagonal assignment: * HN LYS+ 81 - HN LYS+ 81 (1.00) kept Peak 46 (8.02, 8.02, 121.50 ppm): 1 diagonal assignment: * HN GLU- 79 - HN GLU- 79 (0.61) kept Peak 47 (7.82, 7.82, 121.71 ppm): 1 diagonal assignment: * HN ALA 88 - HN ALA 88 (1.00) kept Peak 48 (8.08, 8.08, 121.56 ppm): 2 diagonal assignments: * HN ALA 34 - HN ALA 34 (0.99) kept HN LEU 80 - HN LEU 80 (0.88) kept Peak 49 (7.46, 7.46, 121.46 ppm): 1 diagonal assignment: * HN LEU 123 - HN LEU 123 (1.00) kept Peak 50 (7.92, 7.92, 121.27 ppm): 2 diagonal assignments: * HN ILE 119 - HN ILE 119 (1.00) kept HN CYS 21 - HN CYS 21 (0.17) kept Peak 51 (8.48, 8.48, 121.30 ppm): 1 diagonal assignment: * HN LYS+ 74 - HN LYS+ 74 (0.71) kept Peak 52 (8.29, 8.29, 121.00 ppm): 1 diagonal assignment: * HN GLU- 29 - HN GLU- 29 (1.00) kept Peak 53 (7.93, 7.93, 121.01 ppm): 2 diagonal assignments: * HN CYS 21 - HN CYS 21 (1.00) kept HN ILE 119 - HN ILE 119 (0.17) kept Peak 54 (8.17, 8.17, 120.70 ppm): 2 diagonal assignments: HN PHE 60 - HN PHE 60 (0.15) kept * HN THR 118 - HN THR 118 (0.14) kept Peak 55 (7.86, 7.86, 120.86 ppm): 1 diagonal assignment: * HN ASP- 62 - HN ASP- 62 (0.86) kept Peak 56 (7.59, 7.59, 120.97 ppm): 1 diagonal assignment: * HN LEU 63 - HN LEU 63 (1.00) kept Peak 57 (7.01, 7.01, 120.97 ppm): 1 diagonal assignment: * HN ALA 47 - HN ALA 47 (1.00) kept Peak 58 (7.76, 7.76, 120.90 ppm): 1 diagonal assignment: * HN LYS+ 102 - HN LYS+ 102 (1.00) kept Peak 59 (9.10, 9.10, 120.75 ppm): 1 diagonal assignment: * HN HIS 22 - HN HIS 22 (1.00) kept Peak 60 (8.95, 8.95, 120.59 ppm): 1 diagonal assignment: * HN LEU 73 - HN LEU 73 (1.00) kept Peak 61 (7.95, 7.95, 120.58 ppm): 1 diagonal assignment: * HN LYS+ 33 - HN LYS+ 33 (1.00) kept Peak 62 (8.36, 8.36, 120.50 ppm): 1 diagonal assignment: * HN ASN 35 - HN ASN 35 (1.00) kept Peak 63 (8.78, 8.78, 120.28 ppm): 1 diagonal assignment: * HN GLU- 25 - HN GLU- 25 (1.00) kept Peak 64 (7.58, 7.58, 119.96 ppm): 1 diagonal assignment: * HN ALA 84 - HN ALA 84 (1.00) kept Peak 65 (7.34, 7.34, 119.88 ppm): 2 diagonal assignments: * HN LEU 67 - HN LEU 67 (1.00) kept HE3 TRP 27 - HE3 TRP 27 (0.01) kept Peak 66 (9.44, 9.44, 119.76 ppm): 1 diagonal assignment: * HN SER 48 - HN SER 48 (1.00) kept Peak 67 (8.06, 8.06, 119.69 ppm): 1 diagonal assignment: * HN GLN 32 - HN GLN 32 (1.00) kept Peak 68 (7.25, 7.25, 119.50 ppm): 1 diagonal assignment: * HN PHE 59 - HN PHE 59 (0.77) kept Peak 69 (7.76, 7.76, 119.36 ppm): 1 diagonal assignment: * HN GLU- 36 - HN GLU- 36 (1.00) kept Peak 70 (8.52, 8.52, 119.25 ppm): 1 diagonal assignment: * HN ASP- 78 - HN ASP- 78 (1.00) kept Peak 71 (9.27, 9.27, 119.07 ppm): 1 diagonal assignment: * HN THR 77 - HN THR 77 (1.00) kept Peak 72 (7.84, 7.84, 118.81 ppm): 2 diagonal assignments: * HN PHE 55 - HN PHE 55 (0.78) kept HN LEU 31 - HN LEU 31 (0.27) kept Peak 73 (7.91, 7.91, 118.70 ppm): 1 diagonal assignment: * HN ILE 89 - HN ILE 89 (1.00) kept Peak 74 (7.43, 7.43, 118.69 ppm): 1 diagonal assignment: * HN ALA 120 - HN ALA 120 (0.79) kept Peak 75 (8.46, 8.46, 118.59 ppm): 1 diagonal assignment: * HN MET 92 - HN MET 92 (1.00) kept Peak 76 (8.31, 8.31, 118.54 ppm): 2 diagonal assignments: * HN GLN 30 - HN GLN 30 (1.00) kept HN LYS+ 99 - HN LYS+ 99 (0.01) kept Peak 77 (6.46, 6.46, 118.53 ppm): 1 diagonal assignment: * HN ALA 64 - HN ALA 64 (1.00) kept Peak 78 (8.97, 8.97, 118.18 ppm): 1 diagonal assignment: * HN LYS+ 106 - HN LYS+ 106 (1.00) kept Peak 79 (8.33, 8.33, 118.17 ppm): 2 diagonal assignments: * HN LYS+ 99 - HN LYS+ 99 (1.00) kept HN GLN 30 - HN GLN 30 (0.01) kept Peak 80 (7.69, 7.69, 117.92 ppm): 1 diagonal assignment: * HN TRP 87 - HN TRP 87 (1.00) kept Peak 82 (7.88, 7.88, 117.58 ppm): 1 diagonal assignment: * HN LYS+ 38 - HN LYS+ 38 (1.00) kept Peak 83 (7.27, 7.27, 117.25 ppm): 1 diagonal assignment: * HN LYS+ 66 - HN LYS+ 66 (1.00) kept Peak 84 (8.46, 8.46, 117.19 ppm): 1 diagonal assignment: * HN THR 46 - HN THR 46 (1.00) kept Peak 85 (7.72, 7.72, 117.18 ppm): 1 diagonal assignment: * HN ALA 61 - HN ALA 61 (1.00) kept Peak 86 (8.17, 8.17, 116.99 ppm): 1 diagonal assignment: * HN GLN 116 - HN GLN 116 (1.00) kept Peak 87 (6.63, 6.63, 116.57 ppm): 1 diagonal assignment: * HN TRP 49 - HN TRP 49 (1.00) kept Peak 88 (7.51, 7.51, 116.39 ppm): 1 diagonal assignment: * HN LYS+ 121 - HN LYS+ 121 (0.80) kept Peak 89 (8.12, 8.12, 116.43 ppm): 1 diagonal assignment: * HN THR 26 - HN THR 26 (1.00) kept Peak 90 (7.80, 7.80, 116.22 ppm): 1 diagonal assignment: * HN ASP- 105 - HN ASP- 105 (1.00) kept Peak 91 (7.69, 7.69, 115.83 ppm): 1 diagonal assignment: * HN GLN 17 - HN GLN 17 (1.00) kept Peak 92 (8.80, 8.80, 115.33 ppm): 1 diagonal assignment: * HN ASN 28 - HN ASN 28 (1.00) kept Peak 93 (8.03, 8.03, 115.19 ppm): 1 diagonal assignment: * HN THR 94 - HN THR 94 (1.00) kept Peak 94 (8.66, 8.66, 115.11 ppm): 1 diagonal assignment: * HN SER 117 - HN SER 117 (1.00) kept Peak 95 (7.59, 7.59, 115.08 ppm): 2 diagonal assignments: * HN ILE 56 - HN ILE 56 (1.00) kept HZ2 TRP 87 - HZ2 TRP 87 (0.00) kept Peak 96 (8.60, 8.60, 114.88 ppm): 1 diagonal assignment: * HN GLY 109 - HN GLY 109 (0.75) kept Peak 97 (6.90, 6.90, 114.80 ppm): 1 diagonal assignment: * HN LYS+ 65 - HN LYS+ 65 (0.69) kept Peak 98 (8.82, 8.82, 114.58 ppm): 1 diagonal assignment: * HN ASN 69 - HN ASN 69 (1.00) kept Peak 99 (8.24, 8.24, 114.58 ppm): 1 diagonal assignment: * HN SER 13 - HN SER 13 (1.00) kept Peak 100 (7.75, 7.75, 114.55 ppm): 1 diagonal assignment: * HN THR 39 - HN THR 39 (1.00) kept Peak 101 (8.64, 8.64, 114.33 ppm): 1 diagonal assignment: * HN SER 82 - HN SER 82 (1.00) kept Peak 102 (7.24, 7.24, 114.00 ppm): 1 diagonal assignment: * HN HIS 122 - HN HIS 122 (0.27) kept Peak 103 (7.68, 7.68, 113.30 ppm): 1 diagonal assignment: * HD21 ASN 69 - HD21 ASN 69 (0.56) kept Peak 104 (6.66, 6.66, 113.30 ppm): 1 diagonal assignment: * HD22 ASN 69 - HD22 ASN 69 (0.56) kept Peak 105 (7.45, 7.45, 112.50 ppm): 1 diagonal assignment: * HE21 GLN 17 - HE21 GLN 17 (0.71) kept Peak 106 (6.81, 6.81, 112.50 ppm): 2 diagonal assignments: * HE22 GLN 17 - HE22 GLN 17 (0.71) kept HE22 GLN 32 - HE22 GLN 32 (0.24) kept Peak 107 (7.57, 7.57, 112.27 ppm): 1 diagonal assignment: * HE21 GLN 32 - HE21 GLN 32 (1.00) kept Peak 108 (6.80, 6.80, 112.28 ppm): 3 diagonal assignments: * HE22 GLN 32 - HE22 GLN 32 (1.00) kept HE22 GLN 90 - HE22 GLN 90 (0.37) kept HE22 GLN 17 - HE22 GLN 17 (0.07) kept Peak 109 (7.91, 7.91, 112.05 ppm): 1 diagonal assignment: * HN SER 37 - HN SER 37 (1.00) kept Peak 110 (7.39, 7.39, 112.01 ppm): 1 diagonal assignment: * HE21 GLN 90 - HE21 GLN 90 (1.00) kept Peak 111 (6.80, 6.80, 112.00 ppm): 2 diagonal assignments: * HE22 GLN 90 - HE22 GLN 90 (1.00) kept HE22 GLN 32 - HE22 GLN 32 (0.37) kept Peak 112 (7.61, 7.61, 111.81 ppm): 1 diagonal assignment: * HD21 ASN 28 - HD21 ASN 28 (1.00) kept Peak 113 (6.97, 6.97, 111.81 ppm): 1 diagonal assignment: * HD22 ASN 28 - HD22 ASN 28 (1.00) kept Peak 114 (7.18, 7.18, 111.61 ppm): 1 diagonal assignment: * HE21 GLN 30 - HE21 GLN 30 (1.00) kept Peak 115 (8.05, 8.05, 111.48 ppm): 1 diagonal assignment: * HN SER 85 - HN SER 85 (1.00) kept Peak 116 (7.41, 7.41, 111.00 ppm): 1 diagonal assignment: * HE21 GLN 116 - HE21 GLN 116 (1.00) kept Peak 117 (6.83, 6.83, 111.00 ppm): 1 diagonal assignment: * HE22 GLN 116 - HE22 GLN 116 (1.00) kept Peak 118 (8.66, 8.66, 110.73 ppm): 1 diagonal assignment: * HN GLY 16 - HN GLY 16 (0.94) kept Peak 119 (8.09, 8.09, 110.83 ppm): 1 diagonal assignment: * HN CYS 53 - HN CYS 53 (1.00) kept Peak 120 (7.37, 7.37, 110.13 ppm): 1 diagonal assignment: * HD21 ASN 35 - HD21 ASN 35 (1.00) kept Peak 121 (6.53, 6.53, 110.12 ppm): 1 diagonal assignment: * HD22 ASN 35 - HD22 ASN 35 (1.00) kept Peak 122 (7.33, 7.33, 104.59 ppm): 1 diagonal assignment: * HN THR 23 - HN THR 23 (1.00) kept Peak 123 (8.85, 8.85, 104.25 ppm): 1 diagonal assignment: * HN GLY 101 - HN GLY 101 (1.00) kept Peak 124 (6.64, 6.64, 111.61 ppm): 1 diagonal assignment: * HE22 GLN 30 - HE22 GLN 30 (1.00) kept Peak 125 (8.18, 8.18, 120.93 ppm): 3 diagonal assignments: * HN PHE 60 - HN PHE 60 (0.97) kept HN THR 118 - HN THR 118 (0.75) kept HN GLU- 15 - HN GLU- 15 (0.07) kept Peak 126 (7.87, 7.87, 121.30 ppm): 2 diagonal assignments: * HN ARG+ 54 - HN ARG+ 54 (0.85) kept HN ASP- 62 - HN ASP- 62 (0.08) kept Peak 127 (8.09, 8.09, 121.65 ppm): 2 diagonal assignments: * HN LEU 80 - HN LEU 80 (0.85) kept HN ALA 34 - HN ALA 34 (0.60) kept Peak 129 (7.85, 7.85, 118.81 ppm): 2 diagonal assignments: * HN LEU 31 - HN LEU 31 (0.93) kept HN PHE 55 - HN PHE 55 (0.16) kept Peak 130 (8.27, 8.27, 122.56 ppm): 1 diagonal assignment: * HN VAL 18 - HN VAL 18 (0.90) kept Peak 131 (8.20, 8.20, 120.98 ppm): 3 diagonal assignments: * HN GLU- 15 - HN GLU- 15 (1.00) kept HN PHE 60 - HN PHE 60 (0.12) kept HN THR 118 - HN THR 118 (0.02) kept Peak 134 (9.57, 9.57, 121.38 ppm): 1 diagonal assignment: * HN GLY 51 - HN GLY 51 (1.00) kept Peak 268 (8.43, 8.43, 117.70 ppm): 1 diagonal assignment: * HN ASP- 113 - HN ASP- 113 (0.85) kept Peak 269 (4.29, 8.48, 122.27 ppm): 10 chemical-shift based assignments, quality = 0.894, support = 3.2, residual support = 37.7: O HA MET 11 - HN MET 11 10.000% * 91.6876% (0.92 10.0 3.34 40.44) = 91.688% kept HA ALA 12 - HN MET 11 10.000% * 6.3010% (0.63 1.0 2.01 10.29) = 6.301% kept HA GLU- 14 - HN MET 11 10.000% * 1.5932% (0.49 1.0 0.66 0.12) = 1.593% kept HA ASP- 44 - HN MET 11 10.000% * 0.0885% (0.89 1.0 0.02 0.02) = 0.089% HA SER 85 - HN MET 11 10.000% * 0.0809% (0.81 1.0 0.02 0.02) = 0.081% HB THR 77 - HN MET 11 10.000% * 0.0809% (0.81 1.0 0.02 0.02) = 0.081% HA ILE 103 - HN MET 11 10.000% * 0.0674% (0.68 1.0 0.02 0.02) = 0.067% HA ASP- 86 - HN MET 11 10.000% * 0.0578% (0.58 1.0 0.02 0.02) = 0.058% HA GLU- 79 - HN MET 11 10.000% * 0.0242% (0.24 1.0 0.02 0.02) = 0.024% HA THR 39 - HN MET 11 10.000% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% Peak 270 (4.31, 8.37, 125.10 ppm): 8 chemical-shift based assignments, quality = 0.595, support = 2.47, residual support = 11.1: O HA ALA 12 - HN ALA 12 12.500% * 74.6123% (0.71 10.0 2.20 11.62) = 74.612% kept O HA MET 11 - HN ALA 12 12.500% * 23.8052% (0.23 10.0 3.48 10.29) = 23.805% kept HA GLU- 14 - HN ALA 12 12.500% * 1.4026% (0.72 1.0 0.37 0.02) = 1.403% kept HA ASP- 86 - HN ALA 12 12.500% * 0.0753% (0.72 1.0 0.02 0.02) = 0.075% HA LEU 104 - HN ALA 12 12.500% * 0.0513% (0.49 1.0 0.02 0.02) = 0.051% HA ASP- 44 - HN ALA 12 12.500% * 0.0210% (0.20 1.0 0.02 0.02) = 0.021% HB THR 77 - HN ALA 12 12.500% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% HA SER 85 - HN ALA 12 12.500% * 0.0161% (0.15 1.0 0.02 0.02) = 0.016% Peak 271 (4.33, 8.24, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.841, support = 0.168, residual support = 0.111: HA TRP 87 - HN SER 13 33.333% * 77.3433% (0.97 0.19 0.14) = 77.343% kept HA PHE 59 - HN SER 13 33.333% * 19.2874% (0.40 0.11 0.02) = 19.287% kept HA LEU 104 - HN SER 13 33.333% * 3.3692% (0.40 0.02 0.02) = 3.369% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 272 (3.87, 8.24, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.81, support = 1.86, residual support = 4.84: O QB SER 13 - HN SER 13 16.667% * 99.4648% (0.81 10.0 1.87 4.86) = 99.465% kept HA ILE 89 - HN SER 13 16.667% * 0.1270% (0.97 1.0 0.02 0.02) = 0.127% HB3 SER 37 - HN SER 13 16.667% * 0.1270% (0.97 1.0 0.02 0.02) = 0.127% HB THR 118 - HN SER 13 16.667% * 0.1118% (0.85 1.0 0.02 0.02) = 0.112% HB THR 39 - HN SER 13 16.667% * 0.1118% (0.85 1.0 0.02 0.02) = 0.112% HB3 SER 82 - HN SER 13 16.667% * 0.0576% (0.44 1.0 0.02 0.02) = 0.058% Peak 273 (4.43, 8.27, 122.56 ppm): 5 chemical-shift based assignments, quality = 0.723, support = 5.33, residual support = 45.3: O HA GLN 17 - HN VAL 18 20.000% * 98.6202% (0.73 10.0 5.40 45.96) = 98.620% kept HA THR 46 - HN VAL 18 20.000% * 0.7684% (0.65 1.0 0.18 0.77) = 0.768% HA VAL 42 - HN VAL 18 20.000% * 0.4856% (0.85 1.0 0.09 0.02) = 0.486% HA SER 37 - HN VAL 18 20.000% * 0.0986% (0.73 1.0 0.02 0.02) = 0.099% HA PHE 55 - HN VAL 18 20.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% Peak 274 (4.02, 8.27, 122.56 ppm): 8 chemical-shift based assignments, quality = 0.334, support = 4.72, residual support = 46.6: O HA VAL 18 - HN VAL 18 12.500% * 70.8478% (0.23 10.0 6.06 65.62) = 70.848% kept HA VAL 70 - HN VAL 18 12.500% * 13.3103% (0.77 1.0 1.12 0.54) = 13.310% kept HA1 GLY 16 - HN VAL 18 12.500% * 11.0741% (0.30 1.0 2.42 0.43) = 11.074% kept HA GLN 116 - HN VAL 18 12.500% * 4.2946% (0.77 1.0 0.36 0.02) = 4.295% kept HB2 SER 37 - HN VAL 18 12.500% * 0.2110% (0.69 1.0 0.02 0.02) = 0.211% HA LYS+ 33 - HN VAL 18 12.500% * 0.1281% (0.42 1.0 0.02 0.02) = 0.128% HA GLU- 29 - HN VAL 18 12.500% * 0.0808% (0.26 1.0 0.02 0.02) = 0.081% HB2 SER 82 - HN VAL 18 12.500% * 0.0535% (0.17 1.0 0.02 0.02) = 0.053% Peak 275 (4.41, 8.32, 122.30 ppm): 7 chemical-shift based assignments, quality = 0.66, support = 2.04, residual support = 5.68: O HA SER 13 - HN GLU- 14 14.286% * 91.1291% (0.66 10.0 2.07 5.97) = 91.129% kept HA GLU- 15 - HN GLU- 14 14.286% * 8.5177% (0.66 1.0 1.87 2.80) = 8.518% kept HA PRO 58 - HN GLU- 14 14.286% * 0.0885% (0.64 1.0 0.02 0.02) = 0.089% HA LEU 40 - HN GLU- 14 14.286% * 0.0740% (0.54 1.0 0.02 0.02) = 0.074% HA THR 46 - HN GLU- 14 14.286% * 0.0696% (0.51 1.0 0.02 0.02) = 0.070% HA GLN 17 - HN GLU- 14 14.286% * 0.0605% (0.44 1.0 0.02 0.02) = 0.061% HA SER 37 - HN GLU- 14 14.286% * 0.0605% (0.44 1.0 0.02 0.02) = 0.061% Peak 276 (7.72, 8.66, 110.73 ppm): 4 chemical-shift based assignments, quality = 0.942, support = 0.823, residual support = 0.529: HN ALA 61 - HN GLY 16 25.000% * 89.3740% (0.95 0.91 0.59) = 89.374% kept HE3 TRP 87 - HN GLY 16 25.000% * 7.5852% (0.86 0.09 0.02) = 7.585% kept HN ALA 91 - HN GLY 16 25.000% * 1.8854% (0.92 0.02 0.02) = 1.885% kept HN TRP 27 - HN GLY 16 25.000% * 1.1555% (0.56 0.02 0.02) = 1.155% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 277 (8.66, 7.69, 115.83 ppm): 3 chemical-shift based assignments, quality = 0.974, support = 3.73, residual support = 9.97: HN GLY 16 - HN GLN 17 33.333% * 85.1598% (1.00 4.23 11.68) = 85.160% kept HN SER 117 - HN GLN 17 33.333% * 14.6621% (0.85 0.85 0.15) = 14.662% kept HN SER 82 - HN GLN 17 33.333% * 0.1781% (0.44 0.02 0.02) = 0.178% Peak 278 (4.42, 8.66, 110.73 ppm): 8 chemical-shift based assignments, quality = 0.56, support = 2.19, residual support = 6.23: O HA GLU- 15 - HN GLY 16 12.500% * 63.3168% (0.34 10.0 1.60 3.21) = 63.317% kept HA GLN 17 - HN GLY 16 12.500% * 35.9325% (0.95 1.0 3.27 11.68) = 35.932% kept HA SER 37 - HN GLY 16 12.500% * 0.2197% (0.95 1.0 0.02 0.02) = 0.220% HA THR 46 - HN GLY 16 12.500% * 0.2114% (0.92 1.0 0.02 0.02) = 0.211% HA VAL 42 - HN GLY 16 12.500% * 0.1296% (0.56 1.0 0.02 0.02) = 0.130% HA SER 13 - HN GLY 16 12.500% * 0.0789% (0.34 1.0 0.02 0.02) = 0.079% HA PRO 58 - HN GLY 16 12.500% * 0.0701% (0.30 1.0 0.02 0.02) = 0.070% HA LEU 40 - HN GLY 16 12.500% * 0.0409% (0.18 1.0 0.02 0.30) = 0.041% Peak 279 (4.00, 8.66, 110.73 ppm): 10 chemical-shift based assignments, quality = 0.776, support = 0.693, residual support = 0.211: HA VAL 18 - HN GLY 16 10.000% * 46.3545% (0.86 0.91 0.43) = 46.355% kept HA SER 48 - HN GLY 16 10.000% * 35.0679% (0.86 0.69 0.02) = 35.068% kept HA GLN 116 - HN GLY 16 10.000% * 4.5333% (0.30 0.25 0.02) = 4.533% kept HA VAL 70 - HN GLY 16 10.000% * 4.4819% (0.30 0.25 0.02) = 4.482% kept HA ALA 88 - HN GLY 16 10.000% * 3.7870% (0.61 0.11 0.02) = 3.787% kept HA GLN 32 - HN GLY 16 10.000% * 2.5337% (0.56 0.08 0.02) = 2.534% kept HB2 SER 82 - HN GLY 16 10.000% * 1.0850% (0.92 0.02 0.02) = 1.085% kept HA GLU- 29 - HN GLY 16 10.000% * 0.9763% (0.83 0.02 0.02) = 0.976% HA LYS+ 33 - HN GLY 16 10.000% * 0.7754% (0.66 0.02 0.02) = 0.775% HD2 PRO 52 - HN GLY 16 10.000% * 0.4049% (0.34 0.02 0.02) = 0.405% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 280 (4.42, 7.69, 115.83 ppm): 8 chemical-shift based assignments, quality = 0.966, support = 5.01, residual support = 66.8: O HA GLN 17 - HN GLN 17 12.500% * 96.8842% (0.99 10.0 5.12 68.89) = 96.884% kept HA GLU- 15 - HN GLN 17 12.500% * 2.7847% (0.35 1.0 1.60 0.15) = 2.785% kept HA SER 37 - HN GLN 17 12.500% * 0.0969% (0.99 1.0 0.02 0.02) = 0.097% HA THR 46 - HN GLN 17 12.500% * 0.0932% (0.95 1.0 0.02 0.02) = 0.093% HA VAL 42 - HN GLN 17 12.500% * 0.0571% (0.58 1.0 0.02 0.02) = 0.057% HA SER 13 - HN GLN 17 12.500% * 0.0348% (0.35 1.0 0.02 0.02) = 0.035% HA PRO 58 - HN GLN 17 12.500% * 0.0309% (0.31 1.0 0.02 0.02) = 0.031% HA LEU 40 - HN GLN 17 12.500% * 0.0181% (0.18 1.0 0.02 0.02) = 0.018% Peak 281 (7.45, 6.81, 112.50 ppm): 6 chemical-shift based assignments, quality = 0.691, support = 0.992, residual support = 68.4: O T HE21 GLN 17 - HE22 GLN 17 16.667% * 99.2290% (0.70 10.0 10.00 1.00 68.89) = 99.229% kept T HE21 GLN 17 - HE22 GLN 32 16.667% * 0.5071% (0.36 1.0 10.00 0.02 0.02) = 0.507% HN ALA 124 - HE22 GLN 17 16.667% * 0.0928% (0.65 1.0 1.00 0.02 0.02) = 0.093% HN LEU 123 - HE22 GLN 17 16.667% * 0.0819% (0.57 1.0 1.00 0.02 0.02) = 0.082% HN ALA 124 - HE22 GLN 32 16.667% * 0.0474% (0.33 1.0 1.00 0.02 0.02) = 0.047% HN LEU 123 - HE22 GLN 32 16.667% * 0.0418% (0.29 1.0 1.00 0.02 0.02) = 0.042% Peak 282 (6.82, 7.45, 112.50 ppm): 5 chemical-shift based assignments, quality = 0.601, support = 0.996, residual support = 68.6: O HE22 GLN 17 - HE21 GLN 17 20.000% * 99.5780% (0.60 10.0 1.00 68.89) = 99.578% kept HE22 GLN 116 - HE21 GLN 17 20.000% * 0.1469% (0.45 1.0 0.02 0.12) = 0.147% HD2 HIS 122 - HE21 GLN 17 20.000% * 0.1357% (0.41 1.0 0.02 0.02) = 0.136% HE22 GLN 32 - HE21 GLN 17 20.000% * 0.0826% (0.25 1.0 0.02 0.02) = 0.083% HE22 GLN 90 - HE21 GLN 17 20.000% * 0.0568% (0.17 1.0 0.02 0.02) = 0.057% Peak 284 (4.01, 7.69, 115.83 ppm): 7 chemical-shift based assignments, quality = 0.711, support = 2.58, residual support = 25.8: HA VAL 18 - HN GLN 17 14.286% * 55.7601% (0.53 4.11 45.96) = 55.760% kept HA GLN 116 - HN GLN 17 14.286% * 22.1250% (1.00 0.87 0.12) = 22.125% kept HA VAL 70 - HN GLN 17 14.286% * 14.0389% (1.00 0.56 0.83) = 14.039% kept HA LYS+ 33 - HN GLN 17 14.286% * 4.2764% (0.77 0.22 0.02) = 4.276% kept HA GLU- 29 - HN GLN 17 14.286% * 3.3747% (0.58 0.23 0.02) = 3.375% kept HB2 SER 82 - HN GLN 17 14.286% * 0.2237% (0.44 0.02 0.02) = 0.224% HB2 SER 37 - HN GLN 17 14.286% * 0.2013% (0.40 0.02 0.02) = 0.201% Peak 288 (5.57, 8.93, 131.32 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 2.57, residual support = 5.71: HA LEU 73 - HN ILE 19 100.000% *100.0000% (0.81 2.57 5.71) = 100.000% kept Peak 289 (4.01, 8.93, 131.32 ppm): 7 chemical-shift based assignments, quality = 0.608, support = 3.92, residual support = 15.6: O HA VAL 18 - HN ILE 19 14.286% * 83.0636% (0.53 10.0 4.30 18.58) = 83.064% kept HA VAL 70 - HN ILE 19 14.286% * 16.4405% (1.00 1.0 2.12 1.17) = 16.441% kept HA GLN 116 - HN ILE 19 14.286% * 0.1550% (1.00 1.0 0.02 0.02) = 0.155% HA LYS+ 33 - HN ILE 19 14.286% * 0.1200% (0.77 1.0 0.02 0.02) = 0.120% HA GLU- 29 - HN ILE 19 14.286% * 0.0906% (0.58 1.0 0.02 0.02) = 0.091% HB2 SER 82 - HN ILE 19 14.286% * 0.0686% (0.44 1.0 0.02 0.16) = 0.069% HB2 SER 37 - HN ILE 19 14.286% * 0.0617% (0.40 1.0 0.02 0.02) = 0.062% Peak 290 (4.17, 8.93, 131.32 ppm): 4 chemical-shift based assignments, quality = 0.82, support = 5.26, residual support = 98.4: O HA ILE 19 - HN ILE 19 25.000% * 96.7878% (0.81 10.0 5.41 101.63) = 96.788% kept HA CYS 53 - HN ILE 19 25.000% * 3.1017% (1.00 1.0 0.52 0.02) = 3.102% kept HA GLU- 25 - HN ILE 19 25.000% * 0.0634% (0.53 1.0 0.02 0.02) = 0.063% HA THR 26 - HN ILE 19 25.000% * 0.0471% (0.40 1.0 0.02 0.02) = 0.047% Peak 291 (4.17, 8.71, 131.46 ppm): 4 chemical-shift based assignments, quality = 0.942, support = 4.9, residual support = 17.3: O HA ILE 19 - HN ALA 20 25.000% * 99.1753% (0.95 10.0 4.94 17.46) = 99.175% kept HA CYS 53 - HN ALA 20 25.000% * 0.7235% (0.97 1.0 0.14 0.02) = 0.723% HA GLU- 25 - HN ALA 20 25.000% * 0.0758% (0.73 1.0 0.02 0.02) = 0.076% HA THR 26 - HN ALA 20 25.000% * 0.0255% (0.24 1.0 0.02 0.15) = 0.025% Peak 292 (4.63, 8.71, 131.46 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 2.96, residual support = 14.4: O HA ALA 20 - HN ALA 20 50.000% * 99.9583% (0.95 10.0 2.96 14.41) = 99.958% kept HA LEU 71 - HN ALA 20 50.000% * 0.0417% (0.40 1.0 0.02 0.02) = 0.042% Peak 293 (8.46, 7.93, 121.01 ppm): 8 chemical-shift based assignments, quality = 0.527, support = 1.18, residual support = 0.754: HN LYS+ 74 - HN CYS 21 12.500% * 65.1090% (0.68 1.00 1.68 1.10) = 65.109% kept T HN LYS+ 74 - HN ILE 119 12.500% * 27.4547% (0.19 10.00 0.26 0.14) = 27.455% kept HN THR 46 - HN ILE 119 12.500% * 4.5506% (0.27 1.00 0.29 0.02) = 4.551% kept HN THR 46 - HN CYS 21 12.500% * 1.1402% (1.00 1.00 0.02 0.02) = 1.140% kept HN MET 92 - HN CYS 21 12.500% * 1.0526% (0.92 1.00 0.02 0.02) = 1.053% kept HN MET 11 - HN CYS 21 12.500% * 0.3170% (0.28 1.00 0.02 0.02) = 0.317% HN MET 92 - HN ILE 119 12.500% * 0.2889% (0.25 1.00 0.02 0.02) = 0.289% HN MET 11 - HN ILE 119 12.500% * 0.0870% (0.08 1.00 0.02 0.02) = 0.087% Peak 294 (4.62, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.923, support = 3.29, residual support = 14.2: O HA ALA 20 - HN CYS 21 25.000% * 99.9432% (0.92 10.0 3.29 14.22) = 99.943% kept HA ALA 20 - HN ILE 119 25.000% * 0.0274% (0.25 1.0 0.02 0.02) = 0.027% HA LYS+ 102 - HN CYS 21 25.000% * 0.0230% (0.21 1.0 0.02 0.13) = 0.023% HA LYS+ 102 - HN ILE 119 25.000% * 0.0063% (0.06 1.0 0.02 0.02) = 0.006% Peak 295 (4.22, 7.86, 120.86 ppm): 3 chemical-shift based assignments, quality = 0.818, support = 3.71, residual support = 39.4: O HA ASP- 62 - HN ASP- 62 33.333% * 99.8300% (0.82 10.0 3.72 39.43) = 99.830% kept HB THR 26 - HN ASP- 62 33.333% * 0.1037% (0.85 1.0 0.02 0.02) = 0.104% HA SER 117 - HN ASP- 62 33.333% * 0.0663% (0.54 1.0 0.02 0.02) = 0.066% Peak 296 (4.37, 7.86, 120.86 ppm): 6 chemical-shift based assignments, quality = 0.438, support = 0.577, residual support = 0.877: HA PHE 59 - HN ASP- 62 16.667% * 59.6011% (0.42 0.75 1.13) = 59.601% kept HA ILE 56 - HN ASP- 62 16.667% * 31.8714% (0.42 0.40 0.64) = 31.871% kept HA ASP- 113 - HN ASP- 62 16.667% * 3.2548% (0.86 0.02 0.02) = 3.255% kept HA LYS+ 99 - HN ASP- 62 16.667% * 2.3710% (0.63 0.02 0.02) = 2.371% kept HA ASN 35 - HN ASP- 62 16.667% * 1.7439% (0.46 0.02 0.02) = 1.744% kept HA LEU 123 - HN ASP- 62 16.667% * 1.1578% (0.31 0.02 0.02) = 1.158% kept Peak 297 (7.32, 9.10, 120.75 ppm): 5 chemical-shift based assignments, quality = 0.581, support = 2.95, residual support = 16.0: HN THR 23 - HN HIS 22 20.000% * 95.6621% (0.58 3.08 16.70) = 95.662% kept HN LEU 67 - HN HIS 22 20.000% * 1.5373% (0.18 0.16 0.02) = 1.537% kept QD PHE 55 - HN HIS 22 20.000% * 1.0638% (1.00 0.02 0.02) = 1.064% kept HE3 TRP 27 - HN HIS 22 20.000% * 1.0638% (1.00 0.02 0.02) = 1.064% kept QE PHE 95 - HN HIS 22 20.000% * 0.6731% (0.63 0.02 0.02) = 0.673% Peak 298 (4.62, 9.10, 120.75 ppm): 2 chemical-shift based assignments, quality = 0.919, support = 1.08, residual support = 2.32: HA ALA 20 - HN HIS 22 50.000% * 99.5759% (0.92 1.08 2.33) = 99.576% kept HA LYS+ 102 - HN HIS 22 50.000% * 0.4241% (0.21 0.02 0.02) = 0.424% Peak 299 (8.11, 7.33, 104.59 ppm): 3 chemical-shift based assignments, quality = 0.582, support = 3.0, residual support = 7.64: T HN THR 26 - HN THR 23 33.333% * 99.8879% (0.58 10.00 3.00 7.64) = 99.888% kept HN CYS 53 - HN THR 23 33.333% * 0.0756% (0.44 1.00 0.02 0.02) = 0.076% HN LEU 80 - HN THR 23 33.333% * 0.0365% (0.21 1.00 0.02 1.52) = 0.036% Peak 300 (9.10, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.985, support = 3.01, residual support = 16.2: T HN HIS 22 - HN THR 23 50.000% * 97.1084% (0.99 10.00 3.08 16.70) = 97.108% kept HN ASP- 76 - HN THR 23 50.000% * 2.8916% (0.92 1.00 0.64 0.02) = 2.892% kept Peak 301 (8.78, 9.21, 123.27 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 6.27, residual support = 28.2: T HN GLU- 25 - HN VAL 24 33.333% * 97.6736% (0.97 10.00 6.38 28.72) = 97.674% kept HN ASN 28 - HN VAL 24 33.333% * 2.2272% (0.28 1.00 1.59 7.18) = 2.227% kept HN ASP- 44 - HN VAL 24 33.333% * 0.0992% (0.99 1.00 0.02 0.02) = 0.099% Peak 302 (9.21, 8.78, 120.28 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 6.38, residual support = 28.7: T HN VAL 24 - HN GLU- 25 100.000% *100.0000% (1.00 10.00 6.38 28.72) = 100.000% kept Peak 303 (8.12, 8.78, 120.28 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 5.16, residual support = 27.3: T HN THR 26 - HN GLU- 25 100.000% *100.0000% (0.95 10.00 5.16 27.34) = 100.000% kept Peak 304 (8.78, 8.12, 116.43 ppm): 3 chemical-shift based assignments, quality = 0.945, support = 4.99, residual support = 25.8: T HN GLU- 25 - HN THR 26 33.333% * 94.2972% (0.97 10.00 5.16 27.34) = 94.297% kept HN ASN 28 - HN THR 26 33.333% * 3.9147% (0.28 1.00 2.90 0.67) = 3.915% kept HN ASP- 44 - HN THR 26 33.333% * 1.7881% (0.99 1.00 0.37 0.02) = 1.788% kept Peak 305 (7.74, 8.12, 116.43 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 3.52, residual support = 17.4: HN TRP 27 - HN THR 26 14.286% * 96.1506% (0.99 3.66 18.11) = 96.151% kept HN THR 39 - HN THR 26 14.286% * 1.5893% (0.53 0.11 0.02) = 1.589% kept HD1 TRP 87 - HN THR 26 14.286% * 1.3862% (0.49 0.11 0.02) = 1.386% kept HN ALA 91 - HN THR 26 14.286% * 0.3617% (0.68 0.02 0.02) = 0.362% HN ALA 61 - HN THR 26 14.286% * 0.3102% (0.58 0.02 0.02) = 0.310% HE3 TRP 87 - HN THR 26 14.286% * 0.1299% (0.24 0.02 0.02) = 0.130% HN GLU- 36 - HN THR 26 14.286% * 0.0721% (0.14 0.02 0.02) = 0.072% Peak 306 (7.34, 8.12, 116.43 ppm): 7 chemical-shift based assignments, quality = 0.774, support = 2.45, residual support = 8.31: HN THR 23 - HN THR 26 14.286% * 60.0651% (0.95 3.00 7.64) = 60.065% kept HE3 TRP 27 - HN THR 26 14.286% * 20.4904% (0.35 2.74 18.11) = 20.490% kept HN LEU 67 - HN THR 26 14.286% * 6.1957% (0.89 0.33 0.02) = 6.196% kept HD2 HIS 22 - HN THR 26 14.286% * 4.8828% (0.31 0.74 0.02) = 4.883% kept QE PHE 95 - HN THR 26 14.286% * 4.6722% (0.92 0.24 0.02) = 4.672% kept HD1 TRP 49 - HN THR 26 14.286% * 3.5081% (0.49 0.34 0.02) = 3.508% kept QD PHE 55 - HN THR 26 14.286% * 0.1856% (0.44 0.02 0.02) = 0.186% Peak 307 (7.32, 7.73, 123.24 ppm): 10 chemical-shift based assignments, quality = 0.863, support = 4.18, residual support = 62.8: HE3 TRP 27 - HN TRP 27 10.000% * 70.0493% (1.00 5.06 89.43) = 70.049% kept HN THR 23 - HN TRP 27 10.000% * 21.7051% (0.58 2.69 0.61) = 21.705% kept QE PHE 95 - HN TRP 27 10.000% * 5.4634% (0.63 0.62 0.02) = 5.463% kept HN LEU 67 - HN TRP 27 10.000% * 2.0122% (0.18 0.79 0.02) = 2.012% kept QD PHE 55 - HN ALA 91 10.000% * 0.4174% (0.11 0.26 0.02) = 0.417% QD PHE 55 - HN TRP 27 10.000% * 0.2767% (1.00 0.02 0.02) = 0.277% HE3 TRP 27 - HN ALA 91 10.000% * 0.0316% (0.11 0.02 0.02) = 0.032% QE PHE 95 - HN ALA 91 10.000% * 0.0200% (0.07 0.02 0.02) = 0.020% HN THR 23 - HN ALA 91 10.000% * 0.0184% (0.07 0.02 0.02) = 0.018% HN LEU 67 - HN ALA 91 10.000% * 0.0058% (0.02 0.02 0.02) = 0.006% Peak 308 (8.12, 7.73, 123.24 ppm): 2 chemical-shift based assignments, quality = 0.949, support = 3.65, residual support = 18.1: T HN THR 26 - HN TRP 27 50.000% * 99.8860% (0.95 10.00 3.66 18.11) = 99.886% kept T HN THR 26 - HN ALA 91 50.000% * 0.1140% (0.11 10.00 0.02 0.02) = 0.114% Peak 309 (8.62, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.78, support = 2.03, residual support = 4.5: T HN GLN 90 - HN TRP 27 16.667% * 82.5987% (0.92 10.00 1.10 0.85) = 82.599% kept T HN GLN 90 - HN ALA 91 16.667% * 17.0926% (0.11 10.00 6.52 22.21) = 17.093% kept HN ILE 103 - HN TRP 27 16.667% * 0.1622% (1.00 1.00 0.02 0.02) = 0.162% HN ILE 103 - HN ALA 91 16.667% * 0.0748% (0.11 1.00 0.08 0.02) = 0.075% HN GLY 109 - HN TRP 27 16.667% * 0.0643% (0.40 1.00 0.02 0.02) = 0.064% HN GLY 109 - HN ALA 91 16.667% * 0.0073% (0.05 1.00 0.02 0.02) = 0.007% Peak 310 (8.80, 7.73, 123.24 ppm): 8 chemical-shift based assignments, quality = 0.939, support = 5.0, residual support = 36.0: T HN ASN 28 - HN TRP 27 12.500% * 93.2882% (0.99 10.00 5.21 38.50) = 93.288% kept HN GLU- 25 - HN TRP 27 12.500% * 3.3236% (0.24 1.00 2.88 1.98) = 3.324% kept HN ASN 69 - HN TRP 27 12.500% * 2.7860% (0.35 1.00 1.66 0.14) = 2.786% kept HN ASP- 44 - HN TRP 27 12.500% * 0.4863% (0.28 1.00 0.37 0.02) = 0.486% T HN ASN 28 - HN ALA 91 12.500% * 0.1065% (0.11 10.00 0.02 0.02) = 0.106% HN ASN 69 - HN ALA 91 12.500% * 0.0038% (0.04 1.00 0.02 0.02) = 0.004% HN ASP- 44 - HN ALA 91 12.500% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% HN GLU- 25 - HN ALA 91 12.500% * 0.0026% (0.03 1.00 0.02 0.02) = 0.003% Peak 311 (7.18, 10.20, 129.00 ppm): 4 chemical-shift based assignments, quality = 0.684, support = 1.86, residual support = 87.3: O HD1 TRP 27 - HE1 TRP 27 25.000% * 97.6263% (0.68 10.0 1.90 89.43) = 97.626% kept HE21 GLN 30 - HE1 TRP 27 25.000% * 2.1234% (0.99 1.0 0.28 0.02) = 2.123% kept HH2 TRP 49 - HE1 TRP 27 25.000% * 0.1474% (0.97 1.0 0.02 0.02) = 0.147% QD PHE 59 - HE1 TRP 27 25.000% * 0.1030% (0.68 1.0 0.02 0.02) = 0.103% Peak 312 (6.73, 10.20, 129.00 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 1.31, residual support = 88.4: O HZ2 TRP 27 - HE1 TRP 27 50.000% * 98.8497% (0.31 10.0 1.32 89.43) = 98.850% kept HZ PHE 72 - HE1 TRP 27 50.000% * 1.1503% (0.35 1.0 0.14 0.02) = 1.150% kept Peak 313 (8.30, 8.80, 115.33 ppm): 3 chemical-shift based assignments, quality = 0.942, support = 4.36, residual support = 15.7: T HN GLU- 29 - HN ASN 28 33.333% * 88.3566% (0.97 10.00 4.48 17.39) = 88.357% kept HN GLN 30 - HN ASN 28 33.333% * 11.5694% (0.73 1.00 3.50 3.30) = 11.569% kept HN ASP- 86 - HN ASN 28 33.333% * 0.0741% (0.81 1.00 0.02 0.02) = 0.074% Peak 314 (7.74, 8.80, 115.33 ppm): 7 chemical-shift based assignments, quality = 0.893, support = 4.42, residual support = 31.1: HN TRP 27 - HN ASN 28 14.286% * 80.6576% (0.99 5.21 38.50) = 80.658% kept HN THR 39 - HN ASN 28 14.286% * 10.3924% (0.53 1.24 0.02) = 10.392% kept HD1 TRP 87 - HN ASN 28 14.286% * 8.4353% (0.49 1.10 0.02) = 8.435% kept HN ALA 91 - HN ASN 28 14.286% * 0.2130% (0.68 0.02 0.02) = 0.213% HN ALA 61 - HN ASN 28 14.286% * 0.1827% (0.58 0.02 0.02) = 0.183% HE3 TRP 87 - HN ASN 28 14.286% * 0.0765% (0.24 0.02 0.02) = 0.077% HN GLU- 36 - HN ASN 28 14.286% * 0.0425% (0.14 0.02 0.02) = 0.042% Peak 315 (7.17, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.348, support = 4.28, residual support = 32.3: HD1 TRP 27 - HN ASN 28 25.000% * 82.5562% (0.28 5.10 38.50) = 82.556% kept HE21 GLN 30 - HN ASN 28 25.000% * 16.0836% (0.68 0.41 3.30) = 16.084% kept HH2 TRP 49 - HN ASN 28 25.000% * 1.0368% (0.89 0.02 0.02) = 1.037% kept QD PHE 59 - HN ASN 28 25.000% * 0.3235% (0.28 0.02 0.02) = 0.323% Peak 317 (6.97, 7.61, 111.81 ppm): 2 chemical-shift based assignments, quality = 0.963, support = 2.24, residual support = 79.9: O HD22 ASN 28 - HD21 ASN 28 50.000% * 99.1307% (0.97 10.0 2.26 80.55) = 99.131% kept QE PHE 72 - HD21 ASN 28 50.000% * 0.8693% (0.31 1.0 0.54 0.02) = 0.869% Peak 318 (4.18, 7.61, 111.81 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 0.869, residual support = 2.25: HA GLU- 25 - HD21 ASN 28 25.000% * 80.3875% (1.00 1.02 2.79) = 80.387% kept HA SER 82 - HD21 ASN 28 25.000% * 12.5972% (0.44 0.36 0.02) = 12.597% kept HA ILE 19 - HD21 ASN 28 25.000% * 6.0161% (0.92 0.08 0.02) = 6.016% kept HA CYS 53 - HD21 ASN 28 25.000% * 0.9993% (0.63 0.02 0.02) = 0.999% Peak 319 (4.14, 8.80, 115.33 ppm): 7 chemical-shift based assignments, quality = 0.738, support = 4.69, residual support = 67.5: O HA ASN 28 - HN ASN 28 14.286% * 83.6791% (0.77 10.0 5.04 80.55) = 83.679% kept HA THR 26 - HN ASN 28 14.286% * 11.3273% (0.53 1.0 3.91 0.67) = 11.327% kept HA LEU 115 - HN ASN 28 14.286% * 3.9136% (0.81 1.0 0.89 1.25) = 3.914% kept HA GLU- 114 - HN ASN 28 14.286% * 0.8489% (0.92 1.0 0.17 0.02) = 0.849% HA1 GLY 101 - HN ASN 28 14.286% * 0.1081% (1.00 1.0 0.02 0.02) = 0.108% HA ALA 34 - HN ASN 28 14.286% * 0.1030% (0.95 1.0 0.02 0.02) = 0.103% HA ARG+ 54 - HN ASN 28 14.286% * 0.0200% (0.18 1.0 0.02 0.02) = 0.020% Peak 320 (4.50, 7.73, 123.24 ppm): 8 chemical-shift based assignments, quality = 0.873, support = 4.6, residual support = 82.4: O HA TRP 27 - HN TRP 27 12.500% * 91.1478% (0.95 10.0 4.85 89.43) = 91.148% kept O HA ALA 91 - HN ALA 91 12.500% * 7.9524% (0.08 10.0 2.25 10.82) = 7.952% kept HA ALA 91 - HN TRP 27 12.500% * 0.7701% (0.73 1.0 0.22 0.02) = 0.770% HA PRO 52 - HN TRP 27 12.500% * 0.0559% (0.58 1.0 0.02 0.02) = 0.056% HA VAL 107 - HN TRP 27 12.500% * 0.0512% (0.53 1.0 0.02 0.33) = 0.051% HA TRP 27 - HN ALA 91 12.500% * 0.0104% (0.11 1.0 0.02 0.02) = 0.010% HA PRO 52 - HN ALA 91 12.500% * 0.0064% (0.07 1.0 0.02 0.02) = 0.006% HA VAL 107 - HN ALA 91 12.500% * 0.0058% (0.06 1.0 0.02 0.02) = 0.006% Peak 321 (4.22, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 4.29, residual support = 17.6: HB THR 26 - HN TRP 27 16.667% * 97.0002% (0.99 4.42 18.11) = 97.000% kept HA ASP- 62 - HN TRP 27 16.667% * 2.5892% (0.95 0.12 0.02) = 2.589% kept HA SER 117 - HN TRP 27 16.667% * 0.2803% (0.63 0.02 0.02) = 0.280% HB THR 26 - HN ALA 91 16.667% * 0.0501% (0.11 0.02 0.02) = 0.050% HA ASP- 62 - HN ALA 91 16.667% * 0.0482% (0.11 0.02 0.02) = 0.048% HA SER 117 - HN ALA 91 16.667% * 0.0320% (0.07 0.02 0.02) = 0.032% Peak 322 (4.77, 8.12, 116.43 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 323 (4.20, 8.12, 116.43 ppm): 4 chemical-shift based assignments, quality = 0.439, support = 4.77, residual support = 27.2: O HA GLU- 25 - HN THR 26 25.000% * 99.6849% (0.44 10.0 4.79 27.34) = 99.685% kept HA SER 82 - HN THR 26 25.000% * 0.2254% (1.00 1.0 0.02 0.02) = 0.225% HA ILE 19 - HN THR 26 25.000% * 0.0481% (0.21 1.0 0.02 0.02) = 0.048% HA ASP- 62 - HN THR 26 25.000% * 0.0416% (0.18 1.0 0.02 0.02) = 0.042% Peak 324 (4.82, 8.78, 120.28 ppm): 5 chemical-shift based assignments, quality = 0.826, support = 2.39, residual support = 4.12: HA THR 23 - HN GLU- 25 20.000% * 72.1304% (0.97 2.59 4.27) = 72.130% kept HB THR 23 - HN GLU- 25 20.000% * 24.2733% (0.40 2.13 4.27) = 24.273% kept HA ASP- 78 - HN GLU- 25 20.000% * 3.1712% (0.92 0.12 0.02) = 3.171% kept HA LEU 80 - HN GLU- 25 20.000% * 0.3343% (0.58 0.02 0.02) = 0.334% HA ASP- 105 - HN GLU- 25 20.000% * 0.0909% (0.16 0.02 0.02) = 0.091% Peak 325 (4.19, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.813, support = 5.61, residual support = 117.8: O HA GLU- 25 - HN GLU- 25 25.000% * 99.8000% (0.81 10.0 5.62 118.07) = 99.800% kept HA SER 82 - HN GLU- 25 25.000% * 0.1047% (0.85 1.0 0.02 0.10) = 0.105% HA ILE 19 - HN GLU- 25 25.000% * 0.0654% (0.53 1.0 0.02 0.02) = 0.065% HA CYS 53 - HN GLU- 25 25.000% * 0.0299% (0.24 1.0 0.02 0.02) = 0.030% Peak 326 (4.83, 9.21, 123.27 ppm): 3 chemical-shift based assignments, quality = 0.623, support = 4.07, residual support = 13.8: O HA THR 23 - HN VAL 24 33.333% * 98.8147% (0.63 10.0 4.11 13.94) = 98.815% kept HA ASP- 78 - HN VAL 24 33.333% * 0.7588% (0.95 1.0 0.10 0.02) = 0.759% HA LEU 80 - HN VAL 24 33.333% * 0.4265% (0.21 1.0 0.26 2.27) = 0.426% Peak 327 (4.80, 7.33, 104.59 ppm): 5 chemical-shift based assignments, quality = 0.831, support = 2.68, residual support = 12.4: O HB THR 23 - HN THR 23 20.000% * 65.9123% (1.00 10.0 2.14 12.66) = 65.912% kept O HA THR 23 - HN THR 23 20.000% * 32.1858% (0.49 10.0 3.89 12.66) = 32.186% kept HA LEU 80 - HN THR 23 20.000% * 1.8308% (0.92 1.0 0.60 1.52) = 1.831% kept HA ASP- 105 - HN THR 23 20.000% * 0.0589% (0.89 1.0 0.02 0.02) = 0.059% HA ASP- 78 - HN THR 23 20.000% * 0.0122% (0.18 1.0 0.02 0.02) = 0.012% Peak 328 (4.64, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.632, support = 2.12, residual support = 2.51: HA ALA 20 - HN THR 23 50.000% * 98.8721% (0.63 2.14 2.54) = 98.872% kept HA LEU 71 - HN THR 23 50.000% * 1.1279% (0.77 0.02 0.02) = 1.128% kept Peak 329 (4.22, 7.33, 104.59 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 1.91, residual support = 6.35: HB THR 26 - HN THR 23 33.333% * 83.0773% (0.99 2.23 7.64) = 83.077% kept HA ASP- 62 - HN THR 23 33.333% * 13.5740% (0.95 0.38 0.02) = 13.574% kept HA SER 117 - HN THR 23 33.333% * 3.3487% (0.63 0.14 0.02) = 3.349% kept Peak 330 (7.61, 6.97, 111.81 ppm): 5 chemical-shift based assignments, quality = 0.961, support = 2.22, residual support = 78.2: O HD21 ASN 28 - HD22 ASN 28 20.000% * 97.0953% (0.97 10.0 2.26 80.55) = 97.095% kept HN LEU 63 - HD22 ASN 28 20.000% * 1.5272% (0.28 1.0 1.10 2.41) = 1.527% kept HZ2 TRP 87 - HD22 ASN 28 20.000% * 1.3237% (0.99 1.0 0.27 0.02) = 1.324% kept QE PHE 60 - HD22 ASN 28 20.000% * 0.0354% (0.35 1.0 0.02 0.02) = 0.035% HN ILE 56 - HD22 ASN 28 20.000% * 0.0184% (0.18 1.0 0.02 0.36) = 0.018% Peak 331 (8.79, 8.29, 121.00 ppm): 3 chemical-shift based assignments, quality = 0.673, support = 4.44, residual support = 17.2: T HN ASN 28 - HN GLU- 29 33.333% * 99.1764% (0.68 10.00 4.48 17.39) = 99.176% kept HN GLU- 25 - HN GLU- 29 33.333% * 0.7245% (0.63 1.00 0.16 0.02) = 0.724% HN ASP- 44 - HN GLU- 29 33.333% * 0.0992% (0.68 1.00 0.02 0.02) = 0.099% Peak 332 (7.84, 8.31, 118.54 ppm): 10 chemical-shift based assignments, quality = 0.806, support = 3.73, residual support = 14.1: T HN PHE 55 - HN GLN 30 10.000% * 54.9222% (0.95 10.00 1.62 1.33) = 54.922% kept T HN LEU 31 - HN GLN 30 10.000% * 44.9904% (0.63 10.00 6.31 29.72) = 44.990% kept HN ASP- 62 - HN GLN 30 10.000% * 0.0381% (0.53 1.00 0.02 0.02) = 0.038% HN ALA 88 - HN GLN 30 10.000% * 0.0283% (0.40 1.00 0.02 0.02) = 0.028% HN ARG+ 54 - HN GLN 30 10.000% * 0.0131% (0.18 1.00 0.02 0.02) = 0.013% HN PHE 55 - HN LYS+ 99 10.000% * 0.0028% (0.04 1.00 0.02 0.02) = 0.003% HN LEU 31 - HN LYS+ 99 10.000% * 0.0018% (0.03 1.00 0.02 0.02) = 0.002% HN ASP- 62 - HN LYS+ 99 10.000% * 0.0016% (0.02 1.00 0.02 0.02) = 0.002% HN ALA 88 - HN LYS+ 99 10.000% * 0.0012% (0.02 1.00 0.02 0.02) = 0.001% HN ARG+ 54 - HN LYS+ 99 10.000% * 0.0005% (0.01 1.00 0.02 0.02) = 0.001% Peak 334 (7.85, 8.06, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 4.8, residual support = 33.1: T HN LEU 31 - HN GLN 32 25.000% * 94.3092% (0.97 10.00 5.08 35.12) = 94.309% kept T HN PHE 55 - HN GLN 32 25.000% * 4.7012% (0.58 10.00 0.17 0.02) = 4.701% kept HN ARG+ 54 - HN GLN 32 25.000% * 0.6124% (0.53 1.00 0.24 0.02) = 0.612% HN ASP- 62 - HN GLN 32 25.000% * 0.3773% (0.92 1.00 0.08 0.02) = 0.377% Peak 335 (6.81, 7.57, 112.27 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 0.995, residual support = 35.9: O HE22 GLN 32 - HE21 GLN 32 20.000% * 99.5000% (0.81 10.0 1.00 36.13) = 99.500% kept HE22 GLN 17 - HE21 GLN 32 20.000% * 0.2373% (0.97 1.0 0.02 0.02) = 0.237% HE22 GLN 90 - HE21 GLN 32 20.000% * 0.1658% (0.68 1.0 0.02 0.02) = 0.166% HE22 GLN 116 - HE21 GLN 32 20.000% * 0.0519% (0.21 1.0 0.02 0.02) = 0.052% HD2 HIS 122 - HE21 GLN 32 20.000% * 0.0449% (0.18 1.0 0.02 0.02) = 0.045% Peak 336 (7.58, 6.80, 112.28 ppm): 15 chemical-shift based assignments, quality = 0.752, support = 0.976, residual support = 35.2: O T HE21 GLN 32 - HE22 GLN 32 6.667% * 97.5659% (0.77 10.0 10.00 1.00 36.13) = 97.566% kept HN ILE 56 - HE22 GLN 90 6.667% * 0.6363% (0.24 1.0 1.00 0.42 0.93) = 0.636% HN ALA 84 - HE22 GLN 90 6.667% * 0.5492% (0.37 1.0 1.00 0.23 0.34) = 0.549% T HE21 GLN 32 - HE22 GLN 90 6.667% * 0.3686% (0.29 1.0 10.00 0.02 0.02) = 0.369% HN ILE 56 - HE22 GLN 32 6.667% * 0.3528% (0.63 1.0 1.00 0.09 0.02) = 0.353% HN ALA 84 - HE22 GLN 32 6.667% * 0.1248% (0.99 1.0 1.00 0.02 0.02) = 0.125% HN LYS+ 111 - HE22 GLN 32 6.667% * 0.1248% (0.99 1.0 1.00 0.02 0.02) = 0.125% T HE21 GLN 32 - HE22 GLN 17 6.667% * 0.1039% (0.08 1.0 10.00 0.02 0.02) = 0.104% HN LEU 63 - HE22 GLN 32 6.667% * 0.0615% (0.49 1.0 1.00 0.02 0.02) = 0.062% HN LYS+ 111 - HE22 GLN 90 6.667% * 0.0472% (0.37 1.0 1.00 0.02 0.02) = 0.047% HN LEU 63 - HE22 GLN 90 6.667% * 0.0232% (0.18 1.0 1.00 0.02 0.02) = 0.023% HN LYS+ 111 - HE22 GLN 17 6.667% * 0.0133% (0.11 1.0 1.00 0.02 0.02) = 0.013% HN ALA 84 - HE22 GLN 17 6.667% * 0.0133% (0.11 1.0 1.00 0.02 0.02) = 0.013% HN ILE 56 - HE22 GLN 17 6.667% * 0.0085% (0.07 1.0 1.00 0.02 0.02) = 0.008% HN LEU 63 - HE22 GLN 17 6.667% * 0.0066% (0.05 1.0 1.00 0.02 0.02) = 0.007% Peak 338 (7.75, 8.36, 120.50 ppm): 5 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 23.0: HN GLU- 36 - HN ASN 35 20.000% * 66.6522% (0.85 5.32 34.38) = 66.652% kept HN THR 39 - HN ASN 35 20.000% * 16.5270% (0.95 1.19 0.26) = 16.527% kept HD1 TRP 87 - HN ASN 35 20.000% * 10.0156% (0.97 0.70 0.15) = 10.016% kept HN LYS+ 102 - HN ASN 35 20.000% * 6.7238% (0.63 0.73 0.11) = 6.724% kept HN TRP 27 - HN ASN 35 20.000% * 0.0815% (0.28 0.02 0.02) = 0.081% Peak 339 (6.53, 7.37, 110.13 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 2.0, residual support = 48.0: O T HD22 ASN 35 - HD21 ASN 35 100.000% *100.0000% (0.99 10.0 10.00 2.00 48.03) = 100.000% kept Peak 340 (4.38, 8.36, 120.50 ppm): 9 chemical-shift based assignments, quality = 0.967, support = 4.28, residual support = 47.8: O HA ASN 35 - HN ASN 35 11.111% * 99.5681% (0.97 10.0 4.30 48.03) = 99.568% kept HA LEU 123 - HN ASN 35 11.111% * 0.1021% (1.00 1.0 0.02 0.02) = 0.102% HA ILE 56 - HN ASN 35 11.111% * 0.1012% (0.99 1.0 0.02 0.02) = 0.101% HA LYS+ 99 - HN ASN 35 11.111% * 0.0876% (0.85 1.0 0.02 0.02) = 0.088% HA ASP- 113 - HN ASN 35 11.111% * 0.0452% (0.44 1.0 0.02 0.02) = 0.045% HA LEU 40 - HN ASN 35 11.111% * 0.0363% (0.35 1.0 0.02 0.02) = 0.036% HA PRO 58 - HN ASN 35 11.111% * 0.0218% (0.21 1.0 0.02 0.02) = 0.022% HA SER 13 - HN ASN 35 11.111% * 0.0189% (0.18 1.0 0.02 0.02) = 0.019% HA GLU- 15 - HN ASN 35 11.111% * 0.0189% (0.18 1.0 0.02 0.02) = 0.019% Peak 342 (7.19, 6.64, 111.61 ppm): 4 chemical-shift based assignments, quality = 0.856, support = 2.24, residual support = 131.6: O HE21 GLN 30 - HE22 GLN 30 25.000% * 97.4461% (0.85 10.0 2.29 135.03) = 97.446% kept HD1 TRP 27 - HE22 GLN 30 25.000% * 2.3695% (0.99 1.0 0.42 0.02) = 2.369% kept QD PHE 59 - HE22 GLN 30 25.000% * 0.1125% (0.99 1.0 0.02 0.02) = 0.113% HH2 TRP 49 - HE22 GLN 30 25.000% * 0.0719% (0.63 1.0 0.02 0.02) = 0.072% Peak 343 (6.64, 7.18, 111.61 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 2.29, residual support = 134.9: O T HE22 GLN 30 - HE21 GLN 30 33.333% * 99.9010% (0.89 10.0 10.00 2.29 135.03) = 99.901% kept HD22 ASN 69 - HE21 GLN 30 33.333% * 0.0546% (0.49 1.0 1.00 0.02 0.02) = 0.055% HN TRP 49 - HE21 GLN 30 33.333% * 0.0445% (0.40 1.0 1.00 0.02 0.02) = 0.044% Peak 344 (4.46, 8.31, 118.54 ppm): 10 chemical-shift based assignments, quality = 0.773, support = 0.728, residual support = 1.23: HA PHE 55 - HN GLN 30 10.000% * 92.6002% (0.77 0.78 1.33) = 92.600% kept HA ALA 110 - HN GLN 30 10.000% * 3.0477% (1.00 0.02 0.02) = 3.048% kept HA GLN 90 - HN GLN 30 10.000% * 2.9049% (0.95 0.02 0.02) = 2.905% kept HA VAL 107 - HN GLN 30 10.000% * 0.6497% (0.21 0.02 0.02) = 0.650% HA VAL 42 - HN GLN 30 10.000% * 0.4138% (0.14 0.02 0.02) = 0.414% HA ALA 110 - HN LYS+ 99 10.000% * 0.1247% (0.04 0.02 0.02) = 0.125% HA GLN 90 - HN LYS+ 99 10.000% * 0.1189% (0.04 0.02 0.02) = 0.119% HA PHE 55 - HN LYS+ 99 10.000% * 0.0966% (0.03 0.02 0.02) = 0.097% HA VAL 107 - HN LYS+ 99 10.000% * 0.0266% (0.01 0.02 0.02) = 0.027% HA VAL 42 - HN LYS+ 99 10.000% * 0.0169% (0.01 0.02 0.02) = 0.017% Peak 346 (8.09, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.875, support = 3.11, residual support = 15.2: HN ALA 34 - HN LYS+ 33 33.333% * 74.3762% (0.85 3.79 19.91) = 74.376% kept HN LEU 80 - HN LYS+ 33 33.333% * 25.1705% (0.95 1.15 1.48) = 25.170% kept HN CYS 53 - HN LYS+ 33 33.333% * 0.4533% (0.99 0.02 0.02) = 0.453% Peak 347 (7.36, 6.53, 110.12 ppm): 6 chemical-shift based assignments, quality = 0.628, support = 1.99, residual support = 47.8: O HD21 ASN 35 - HD22 ASN 35 16.667% * 99.5273% (0.63 10.0 2.00 48.03) = 99.527% kept HD2 HIS 22 - HD22 ASN 35 16.667% * 0.1573% (1.00 1.0 0.02 0.02) = 0.157% HD1 TRP 49 - HD22 ASN 35 16.667% * 0.1533% (0.97 1.0 0.02 0.02) = 0.153% HN LEU 67 - HD22 ASN 35 16.667% * 0.0995% (0.63 1.0 0.02 0.02) = 0.100% HN THR 23 - HD22 ASN 35 16.667% * 0.0335% (0.21 1.0 0.02 0.02) = 0.034% QE PHE 95 - HD22 ASN 35 16.667% * 0.0290% (0.18 1.0 0.02 0.02) = 0.029% Peak 348 (8.36, 7.76, 119.36 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 5.32, residual support = 34.4: T HN ASN 35 - HN GLU- 36 50.000% * 99.9459% (0.99 10.00 5.32 34.38) = 99.946% kept HN ALA 12 - HN GLU- 36 50.000% * 0.0541% (0.53 1.00 0.02 0.02) = 0.054% Peak 349 (7.74, 7.91, 112.05 ppm): 7 chemical-shift based assignments, quality = 0.496, support = 2.69, residual support = 3.71: HN THR 39 - HN SER 37 14.286% * 53.0195% (0.53 3.36 2.58) = 53.019% kept HN GLU- 36 - HN SER 37 14.286% * 17.2658% (0.14 4.31 13.43) = 17.266% kept HD1 TRP 87 - HN SER 37 14.286% * 12.6301% (0.49 0.88 0.11) = 12.630% kept HN ALA 91 - HN SER 37 14.286% * 8.4297% (0.68 0.42 0.02) = 8.430% kept HN TRP 27 - HN SER 37 14.286% * 6.8211% (0.99 0.23 0.02) = 6.821% kept HE3 TRP 87 - HN SER 37 14.286% * 1.4893% (0.24 0.21 0.11) = 1.489% kept HN ALA 61 - HN SER 37 14.286% * 0.3445% (0.58 0.02 0.02) = 0.344% Peak 350 (7.74, 7.88, 117.58 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 3.72, residual support = 14.3: HN THR 39 - HN LYS+ 38 14.286% * 64.0141% (0.92 5.07 21.30) = 64.014% kept HD1 TRP 87 - HN LYS+ 38 14.286% * 13.6482% (0.89 1.12 0.93) = 13.648% kept HN GLU- 36 - HN LYS+ 38 14.286% * 11.2212% (0.44 1.86 1.43) = 11.221% kept HN TRP 27 - HN LYS+ 38 14.286% * 10.1931% (0.68 1.10 3.63) = 10.193% kept HN ALA 91 - HN LYS+ 38 14.286% * 0.7986% (0.28 0.21 0.02) = 0.799% HN LYS+ 102 - HN LYS+ 38 14.286% * 0.0667% (0.24 0.02 0.59) = 0.067% HN ALA 61 - HN LYS+ 38 14.286% * 0.0581% (0.21 0.02 0.02) = 0.058% Peak 351 (4.40, 7.76, 119.36 ppm): 11 chemical-shift based assignments, quality = 0.237, support = 4.02, residual support = 30.3: O HA ASN 35 - HN GLU- 36 9.091% * 82.0715% (0.24 10.0 4.20 34.38) = 82.071% kept HA SER 37 - HN GLU- 36 9.091% * 15.3206% (0.24 1.0 3.73 13.43) = 15.321% kept HA LYS+ 99 - HN GLU- 36 9.091% * 0.9151% (0.14 1.0 0.40 0.02) = 0.915% HA LEU 40 - HN GLU- 36 9.091% * 0.3366% (1.00 1.0 0.02 0.02) = 0.337% HA PRO 58 - HN GLU- 36 9.091% * 0.3198% (0.95 1.0 0.02 0.02) = 0.320% HA SER 13 - HN GLU- 36 9.091% * 0.3107% (0.92 1.0 0.02 0.02) = 0.311% HA GLU- 15 - HN GLU- 36 9.091% * 0.3107% (0.92 1.0 0.02 0.02) = 0.311% HA LEU 123 - HN GLU- 36 9.091% * 0.1335% (0.40 1.0 0.02 0.02) = 0.133% HA THR 46 - HN GLU- 36 9.091% * 0.1060% (0.31 1.0 0.02 0.02) = 0.106% HA ILE 56 - HN GLU- 36 9.091% * 0.0936% (0.28 1.0 0.02 0.02) = 0.094% HA GLN 17 - HN GLU- 36 9.091% * 0.0821% (0.24 1.0 0.02 0.02) = 0.082% Peak 352 (4.08, 7.76, 119.36 ppm): 3 chemical-shift based assignments, quality = 0.581, support = 5.82, residual support = 71.0: O HA GLU- 36 - HN GLU- 36 33.333% * 99.8246% (0.58 10.0 5.83 71.08) = 99.825% kept HA LYS+ 66 - HN GLU- 36 33.333% * 0.0998% (0.58 1.0 0.02 0.02) = 0.100% HA LYS+ 81 - HN GLU- 36 33.333% * 0.0756% (0.44 1.0 0.02 0.02) = 0.076% Peak 353 (4.42, 7.91, 112.05 ppm): 8 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 25.8: O HA SER 37 - HN SER 37 12.500% * 99.5293% (0.95 10.0 3.68 25.95) = 99.529% kept HA THR 46 - HN SER 37 12.500% * 0.1034% (0.99 1.0 0.02 0.02) = 0.103% HA GLN 17 - HN SER 37 12.500% * 0.0995% (0.95 1.0 0.02 0.02) = 0.100% HA SER 13 - HN SER 37 12.500% * 0.0661% (0.63 1.0 0.02 0.02) = 0.066% HA GLU- 15 - HN SER 37 12.500% * 0.0661% (0.63 1.0 0.02 0.02) = 0.066% HA PRO 58 - HN SER 37 12.500% * 0.0610% (0.58 1.0 0.02 0.02) = 0.061% HA LEU 40 - HN SER 37 12.500% * 0.0415% (0.40 1.0 0.02 0.12) = 0.042% HA VAL 42 - HN SER 37 12.500% * 0.0330% (0.31 1.0 0.02 0.02) = 0.033% Peak 354 (4.08, 7.91, 112.05 ppm): 3 chemical-shift based assignments, quality = 0.211, support = 4.1, residual support = 13.4: O HA GLU- 36 - HN SER 37 33.333% * 99.4918% (0.21 10.0 4.12 13.43) = 99.492% kept HA LYS+ 66 - HN SER 37 33.333% * 0.4448% (0.95 1.0 0.02 0.02) = 0.445% HA LYS+ 81 - HN SER 37 33.333% * 0.0634% (0.14 1.0 0.02 0.02) = 0.063% Peak 355 (4.41, 7.88, 117.58 ppm): 7 chemical-shift based assignments, quality = 0.633, support = 4.03, residual support = 13.1: O HA SER 37 - HN LYS+ 38 14.286% * 95.2856% (0.63 10.0 4.20 13.64) = 95.286% kept HA LEU 40 - HN LYS+ 38 14.286% * 4.0830% (0.77 1.0 0.70 1.47) = 4.083% kept HA SER 13 - HN LYS+ 38 14.286% * 0.1435% (0.95 1.0 0.02 0.02) = 0.144% HA GLU- 15 - HN LYS+ 38 14.286% * 0.1435% (0.95 1.0 0.02 0.02) = 0.144% HA PRO 58 - HN LYS+ 38 14.286% * 0.1394% (0.92 1.0 0.02 0.02) = 0.139% HA THR 46 - HN LYS+ 38 14.286% * 0.1097% (0.73 1.0 0.02 0.02) = 0.110% HA GLN 17 - HN LYS+ 38 14.286% * 0.0953% (0.63 1.0 0.02 0.02) = 0.095% Peak 356 (4.09, 7.88, 117.58 ppm): 5 chemical-shift based assignments, quality = 0.815, support = 1.3, residual support = 1.06: HA GLU- 36 - HN LYS+ 38 20.000% * 69.2490% (0.95 1.49 1.43) = 69.249% kept HA ARG+ 54 - HN LYS+ 38 20.000% * 16.4617% (0.24 1.38 0.39) = 16.462% kept HA LYS+ 81 - HN LYS+ 38 20.000% * 13.7327% (0.85 0.33 0.02) = 13.733% kept HA ALA 124 - HN LYS+ 38 20.000% * 0.3480% (0.35 0.02 0.02) = 0.348% HA LYS+ 66 - HN LYS+ 38 20.000% * 0.2086% (0.21 0.02 0.02) = 0.209% Peak 357 (4.27, 7.75, 114.55 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 3.27, residual support = 28.3: O HA THR 39 - HN THR 39 11.111% * 99.5031% (1.00 10.0 3.28 28.39) = 99.503% kept HA GLU- 79 - HN THR 39 11.111% * 0.0982% (0.99 1.0 0.02 0.02) = 0.098% HA1 GLY 51 - HN THR 39 11.111% * 0.0967% (0.97 1.0 0.02 0.02) = 0.097% HA ALA 57 - HN THR 39 11.111% * 0.0676% (0.68 1.0 0.02 0.02) = 0.068% HA ILE 103 - HN THR 39 11.111% * 0.0628% (0.63 1.0 0.02 0.02) = 0.063% HA SER 85 - HN THR 39 11.111% * 0.0484% (0.49 1.0 0.02 0.02) = 0.048% HB THR 77 - HN THR 39 11.111% * 0.0484% (0.49 1.0 0.02 0.02) = 0.048% HA ASP- 44 - HN THR 39 11.111% * 0.0395% (0.40 1.0 0.02 0.02) = 0.039% HA MET 11 - HN THR 39 11.111% * 0.0353% (0.35 1.0 0.02 0.02) = 0.035% Peak 358 (4.27, 8.88, 128.13 ppm): 9 chemical-shift based assignments, quality = 0.989, support = 4.18, residual support = 21.1: O HA THR 39 - HN LEU 40 11.111% * 97.8739% (1.00 10.0 4.26 21.52) = 97.874% kept HA ILE 103 - HN LEU 40 11.111% * 1.6991% (0.63 1.0 0.55 0.02) = 1.699% kept HA GLU- 79 - HN LEU 40 11.111% * 0.0966% (0.99 1.0 0.02 0.02) = 0.097% HA1 GLY 51 - HN LEU 40 11.111% * 0.0951% (0.97 1.0 0.02 0.02) = 0.095% HA ALA 57 - HN LEU 40 11.111% * 0.0665% (0.68 1.0 0.02 0.02) = 0.066% HA SER 85 - HN LEU 40 11.111% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% HB THR 77 - HN LEU 40 11.111% * 0.0476% (0.49 1.0 0.02 0.02) = 0.048% HA ASP- 44 - HN LEU 40 11.111% * 0.0388% (0.40 1.0 0.02 0.02) = 0.039% HA MET 11 - HN LEU 40 11.111% * 0.0347% (0.35 1.0 0.02 0.02) = 0.035% Peak 359 (4.40, 8.88, 128.13 ppm): 11 chemical-shift based assignments, quality = 0.983, support = 4.6, residual support = 79.1: O HA LEU 40 - HN LEU 40 9.091% * 97.8555% (1.00 10.0 4.69 80.87) = 97.856% kept HA LEU 123 - HN LEU 40 9.091% * 1.0690% (0.40 1.0 0.55 0.52) = 1.069% kept HA GLU- 15 - HN LEU 40 9.091% * 0.7493% (0.92 1.0 0.17 0.02) = 0.749% HA PRO 58 - HN LEU 40 9.091% * 0.0930% (0.95 1.0 0.02 0.02) = 0.093% HA SER 13 - HN LEU 40 9.091% * 0.0903% (0.92 1.0 0.02 0.02) = 0.090% HA THR 46 - HN LEU 40 9.091% * 0.0308% (0.31 1.0 0.02 0.02) = 0.031% HA ILE 56 - HN LEU 40 9.091% * 0.0272% (0.28 1.0 0.02 0.63) = 0.027% HA GLN 17 - HN LEU 40 9.091% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% HA ASN 35 - HN LEU 40 9.091% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% HA SER 37 - HN LEU 40 9.091% * 0.0239% (0.24 1.0 0.02 0.12) = 0.024% HA LYS+ 99 - HN LEU 40 9.091% * 0.0132% (0.14 1.0 0.02 4.82) = 0.013% Peak 360 (4.85, 9.02, 128.16 ppm): 2 chemical-shift based assignments, quality = 0.626, support = 0.205, residual support = 0.268: HA PHE 45 - HN VAL 41 50.000% * 87.7842% (0.68 0.22 0.30) = 87.784% kept HA ASP- 78 - HN VAL 41 50.000% * 12.2158% (0.24 0.09 0.02) = 12.216% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 361 (4.40, 9.02, 128.16 ppm): 11 chemical-shift based assignments, quality = 0.988, support = 3.52, residual support = 9.15: O HA LEU 40 - HN VAL 41 9.091% * 98.8192% (1.00 10.0 3.57 9.26) = 98.819% kept HA ILE 56 - HN VAL 41 9.091% * 0.7485% (0.28 1.0 0.54 0.02) = 0.749% HA PRO 58 - HN VAL 41 9.091% * 0.0939% (0.95 1.0 0.02 0.02) = 0.094% HA SER 13 - HN VAL 41 9.091% * 0.0912% (0.92 1.0 0.02 0.02) = 0.091% HA GLU- 15 - HN VAL 41 9.091% * 0.0912% (0.92 1.0 0.02 0.02) = 0.091% HA LEU 123 - HN VAL 41 9.091% * 0.0392% (0.40 1.0 0.02 0.52) = 0.039% HA THR 46 - HN VAL 41 9.091% * 0.0311% (0.31 1.0 0.02 0.02) = 0.031% HA GLN 17 - HN VAL 41 9.091% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HA SER 37 - HN VAL 41 9.091% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HA ASN 35 - HN VAL 41 9.091% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HA LYS+ 99 - HN VAL 41 9.091% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% Peak 362 (9.69, 9.02, 128.16 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 4.59, residual support = 14.8: T HN LEU 98 - HN VAL 41 100.000% *100.0000% (0.95 10.00 4.59 14.79) = 100.000% kept Peak 363 (5.25, 8.95, 126.35 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 364 (4.85, 8.95, 126.35 ppm): 2 chemical-shift based assignments, quality = 0.643, support = 1.08, residual support = 0.929: HA PHE 45 - HN VAL 42 50.000% * 91.7154% (0.68 1.15 1.00) = 91.715% kept HA ASP- 78 - HN VAL 42 50.000% * 8.2846% (0.24 0.29 0.14) = 8.285% kept Peak 365 (4.45, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.813, support = 4.94, residual support = 69.1: O HA VAL 42 - HN VAL 42 16.667% * 99.7300% (0.81 10.0 4.95 69.25) = 99.730% kept HA PHE 55 - HN VAL 42 16.667% * 0.0997% (0.81 1.0 0.02 0.02) = 0.100% HA GLN 90 - HN VAL 42 16.667% * 0.0713% (0.58 1.0 0.02 0.02) = 0.071% HA ALA 110 - HN VAL 42 16.667% * 0.0540% (0.44 1.0 0.02 0.02) = 0.054% HA GLN 17 - HN VAL 42 16.667% * 0.0225% (0.18 1.0 0.02 0.02) = 0.023% HA SER 37 - HN VAL 42 16.667% * 0.0225% (0.18 1.0 0.02 0.02) = 0.023% Peak 366 (4.44, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 4.58, residual support = 29.3: O HA VAL 42 - HN VAL 43 16.667% * 97.5127% (1.00 10.0 4.68 30.05) = 97.513% kept HA THR 46 - HN VAL 43 16.667% * 2.3232% (0.44 1.0 1.08 0.02) = 2.323% kept HA SER 37 - HN VAL 43 16.667% * 0.0522% (0.53 1.0 0.02 0.02) = 0.052% HA GLN 17 - HN VAL 43 16.667% * 0.0522% (0.53 1.0 0.02 0.02) = 0.052% HA PHE 55 - HN VAL 43 16.667% * 0.0388% (0.40 1.0 0.02 0.02) = 0.039% HA GLN 90 - HN VAL 43 16.667% * 0.0208% (0.21 1.0 0.02 0.02) = 0.021% Peak 368 (4.90, 8.78, 123.55 ppm): 3 chemical-shift based assignments, quality = 0.676, support = 1.63, residual support = 2.42: HA MET 92 - HN ASP- 44 33.333% * 77.0595% (0.81 1.64 2.85) = 77.059% kept HA LYS+ 74 - HN ASP- 44 33.333% * 17.9744% (0.16 1.97 1.21) = 17.974% kept HA HIS 122 - HN ASP- 44 33.333% * 4.9662% (0.40 0.22 0.02) = 4.966% kept Peak 369 (4.67, 8.78, 123.55 ppm): 4 chemical-shift based assignments, quality = 0.814, support = 3.87, residual support = 13.0: O HA VAL 43 - HN ASP- 44 25.000% * 99.8534% (0.81 10.0 3.88 13.01) = 99.853% kept HA ASN 69 - HN ASP- 44 25.000% * 0.0597% (0.49 1.0 0.02 0.02) = 0.060% HA LEU 71 - HN ASP- 44 25.000% * 0.0435% (0.35 1.0 0.02 0.02) = 0.043% HA HIS 22 - HN ASP- 44 25.000% * 0.0435% (0.35 1.0 0.02 0.02) = 0.043% Peak 370 (4.30, 8.78, 123.55 ppm): 9 chemical-shift based assignments, quality = 0.367, support = 3.58, residual support = 35.2: O HA ASP- 44 - HN ASP- 44 11.111% * 96.4204% (0.35 10.0 3.70 36.51) = 96.420% kept HA GLU- 14 - HN ASP- 44 11.111% * 2.5692% (0.97 1.0 0.19 0.02) = 2.569% kept HA ALA 12 - HN ASP- 44 11.111% * 0.2719% (1.00 1.0 0.02 0.02) = 0.272% HA ASP- 86 - HN ASP- 44 11.111% * 0.2711% (1.00 1.0 0.02 0.02) = 0.271% HA LEU 104 - HN ASP- 44 11.111% * 0.1583% (0.58 1.0 0.02 0.02) = 0.158% HA MET 11 - HN ASP- 44 11.111% * 0.1078% (0.40 1.0 0.02 0.02) = 0.108% HB THR 77 - HN ASP- 44 11.111% * 0.0756% (0.28 1.0 0.02 0.02) = 0.076% HA SER 85 - HN ASP- 44 11.111% * 0.0756% (0.28 1.0 0.02 0.02) = 0.076% HA ILE 103 - HN ASP- 44 11.111% * 0.0500% (0.18 1.0 0.02 0.02) = 0.050% Peak 371 (8.02, 8.74, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 3.34, residual support = 18.1: T HN THR 94 - HN PHE 45 50.000% * 95.4562% (0.77 10.00 3.46 18.92) = 95.456% kept HN GLU- 79 - HN PHE 45 50.000% * 4.5438% (0.99 1.00 0.74 0.02) = 4.544% kept Peak 372 (6.84, 8.74, 125.75 ppm): 4 chemical-shift based assignments, quality = 0.473, support = 3.88, residual support = 57.0: QD PHE 45 - HN PHE 45 25.000% * 85.6894% (0.40 4.50 66.57) = 85.689% kept HD2 HIS 122 - HN PHE 45 25.000% * 8.4338% (0.95 0.19 0.02) = 8.434% kept HE22 GLN 116 - HN PHE 45 25.000% * 5.7249% (0.92 0.13 0.02) = 5.725% kept HE22 GLN 17 - HN PHE 45 25.000% * 0.1519% (0.16 0.02 0.02) = 0.152% Peak 373 (5.96, 8.74, 125.75 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 1.76, residual support = 2.0: HA PHE 95 - HN PHE 45 100.000% *100.0000% (1.00 1.76 2.00) = 100.000% kept Peak 374 (4.86, 8.74, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 3.64, residual support = 66.5: O HA PHE 45 - HN PHE 45 50.000% * 99.9598% (0.99 10.0 3.65 66.57) = 99.960% kept HA VAL 41 - HN PHE 45 50.000% * 0.0402% (0.40 1.0 0.02 0.30) = 0.040% Peak 375 (4.29, 8.74, 125.75 ppm): 11 chemical-shift based assignments, quality = 0.994, support = 3.56, residual support = 12.7: O HA ASP- 44 - HN PHE 45 9.091% * 99.4066% (1.00 10.0 3.58 12.77) = 99.407% kept HA MET 11 - HN PHE 45 9.091% * 0.0991% (1.00 1.0 0.02 0.02) = 0.099% HA SER 85 - HN PHE 45 9.091% * 0.0981% (0.99 1.0 0.02 0.02) = 0.098% HB THR 77 - HN PHE 45 9.091% * 0.0981% (0.99 1.0 0.02 4.71) = 0.098% HA ILE 103 - HN PHE 45 9.091% * 0.0918% (0.92 1.0 0.02 0.02) = 0.092% HA GLU- 79 - HN PHE 45 9.091% * 0.0484% (0.49 1.0 0.02 0.02) = 0.048% HA THR 39 - HN PHE 45 9.091% * 0.0394% (0.40 1.0 0.02 0.02) = 0.039% HA ALA 12 - HN PHE 45 9.091% * 0.0352% (0.35 1.0 0.02 0.02) = 0.035% HA ASP- 86 - HN PHE 45 9.091% * 0.0313% (0.31 1.0 0.02 0.02) = 0.031% HA1 GLY 51 - HN PHE 45 9.091% * 0.0276% (0.28 1.0 0.02 0.02) = 0.028% HA GLU- 14 - HN PHE 45 9.091% * 0.0242% (0.24 1.0 0.02 0.02) = 0.024% Peak 376 (6.83, 8.46, 117.19 ppm): 3 chemical-shift based assignments, quality = 0.865, support = 0.598, residual support = 0.64: HD2 HIS 122 - HN THR 46 33.333% * 71.7295% (0.92 0.75 0.88) = 71.730% kept HE22 GLN 17 - HN THR 46 33.333% * 14.2667% (0.49 0.28 0.02) = 14.267% kept HE22 GLN 116 - HN THR 46 33.333% * 14.0038% (0.95 0.14 0.02) = 14.004% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 377 (5.00, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.403, support = 2.56, residual support = 3.55: HA ASP- 76 - HN THR 46 50.000% * 98.4431% (0.40 2.60 3.60) = 98.443% kept HA LEU 67 - HN THR 46 50.000% * 1.5569% (0.81 0.02 0.02) = 1.557% kept Peak 378 (4.85, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.679, support = 3.02, residual support = 5.85: O HA PHE 45 - HN THR 46 50.000% * 99.9641% (0.68 10.0 3.02 5.85) = 99.964% kept HA ASP- 78 - HN THR 46 50.000% * 0.0359% (0.24 1.0 0.02 0.02) = 0.036% Peak 379 (4.44, 8.46, 117.19 ppm): 6 chemical-shift based assignments, quality = 0.44, support = 2.86, residual support = 24.7: O HA THR 46 - HN THR 46 16.667% * 97.8479% (0.44 10.0 2.92 25.27) = 97.848% kept HA GLN 17 - HN THR 46 16.667% * 1.6770% (0.53 1.0 0.28 0.02) = 1.677% kept HA VAL 42 - HN THR 46 16.667% * 0.2213% (1.00 1.0 0.02 0.26) = 0.221% HA SER 37 - HN THR 46 16.667% * 0.1186% (0.53 1.0 0.02 0.02) = 0.119% HA PHE 55 - HN THR 46 16.667% * 0.0880% (0.40 1.0 0.02 0.02) = 0.088% HA GLN 90 - HN THR 46 16.667% * 0.0472% (0.21 1.0 0.02 0.02) = 0.047% Peak 381 (9.28, 8.46, 117.19 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 2.32, residual support = 5.58: HN THR 77 - HN THR 46 100.000% *100.0000% (1.00 2.32 5.58) = 100.000% kept Peak 382 (4.57, 7.01, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.846, support = 2.1, residual support = 8.64: O HA ALA 47 - HN ALA 47 16.667% * 97.1807% (0.85 10.0 2.14 8.82) = 97.181% kept HA CYS 50 - HN ALA 47 16.667% * 2.3548% (0.63 1.0 0.66 2.90) = 2.355% kept HA VAL 108 - HN ALA 47 16.667% * 0.3291% (0.73 1.0 0.08 0.02) = 0.329% HA1 GLY 109 - HN ALA 47 16.667% * 0.0662% (0.58 1.0 0.02 0.02) = 0.066% HA TRP 49 - HN ALA 47 16.667% * 0.0451% (0.40 1.0 0.02 7.56) = 0.045% HA CYS 21 - HN ALA 47 16.667% * 0.0242% (0.21 1.0 0.02 0.02) = 0.024% Peak 384 (4.44, 7.01, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.438, support = 2.93, residual support = 7.12: O HA THR 46 - HN ALA 47 16.667% * 99.3970% (0.44 10.0 2.95 7.16) = 99.397% kept HA VAL 42 - HN ALA 47 16.667% * 0.2248% (1.00 1.0 0.02 0.44) = 0.225% HA GLN 17 - HN ALA 47 16.667% * 0.1204% (0.53 1.0 0.02 0.02) = 0.120% HA SER 37 - HN ALA 47 16.667% * 0.1204% (0.53 1.0 0.02 0.02) = 0.120% HA PHE 55 - HN ALA 47 16.667% * 0.0894% (0.40 1.0 0.02 0.02) = 0.089% HA GLN 90 - HN ALA 47 16.667% * 0.0479% (0.21 1.0 0.02 0.02) = 0.048% Peak 386 (6.62, 9.44, 119.76 ppm): 3 chemical-shift based assignments, quality = 0.758, support = 3.9, residual support = 13.5: T HN TRP 49 - HN SER 48 33.333% * 95.4009% (0.77 10.00 4.01 14.18) = 95.401% kept HN CYS 50 - HN SER 48 33.333% * 4.5647% (0.49 1.00 1.52 0.02) = 4.565% kept HE22 GLN 30 - HN SER 48 33.333% * 0.0344% (0.28 1.00 0.02 0.02) = 0.034% Peak 387 (4.57, 9.44, 119.76 ppm): 6 chemical-shift based assignments, quality = 0.82, support = 2.16, residual support = 5.14: O HA ALA 47 - HN SER 48 16.667% * 91.1609% (0.85 10.0 2.16 4.69) = 91.161% kept HA TRP 49 - HN SER 48 16.667% * 6.0513% (0.40 1.0 2.86 14.18) = 6.051% kept HA CYS 50 - HN SER 48 16.667% * 2.6256% (0.63 1.0 0.78 0.02) = 2.626% kept HA VAL 108 - HN SER 48 16.667% * 0.0774% (0.73 1.0 0.02 0.02) = 0.077% HA1 GLY 109 - HN SER 48 16.667% * 0.0621% (0.58 1.0 0.02 0.02) = 0.062% HA CYS 21 - HN SER 48 16.667% * 0.0227% (0.21 1.0 0.02 0.02) = 0.023% Peak 388 (7.35, 6.63, 116.57 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 4.1, residual support = 56.5: HD1 TRP 49 - HN TRP 49 14.286% * 78.1447% (0.89 5.05 72.15) = 78.145% kept HD2 HIS 22 - HN TRP 49 14.286% * 10.7021% (0.73 0.85 0.86) = 10.702% kept QE PHE 95 - HN TRP 49 14.286% * 6.9572% (0.53 0.75 0.02) = 6.957% kept HN LEU 67 - HN TRP 49 14.286% * 1.6555% (0.97 0.10 0.02) = 1.655% kept HD21 ASN 35 - HN TRP 49 14.286% * 1.5754% (0.24 0.37 0.02) = 1.575% kept HN THR 23 - HN TRP 49 14.286% * 0.9180% (0.58 0.09 0.02) = 0.918% QD PHE 55 - HN TRP 49 14.286% * 0.0470% (0.14 0.02 0.02) = 0.047% Peak 389 (9.45, 6.63, 116.57 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 4.01, residual support = 14.2: T HN SER 48 - HN TRP 49 100.000% *100.0000% (0.77 10.00 4.01 14.18) = 100.000% kept Peak 390 (4.58, 6.60, 121.96 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 2.2, residual support = 8.4: O HA CYS 50 - HN CYS 50 14.286% * 53.1069% (0.97 10.0 1.96 6.13) = 53.107% kept O HA TRP 49 - HN CYS 50 14.286% * 45.4316% (0.81 10.0 2.52 11.23) = 45.432% kept HA ALA 47 - HN CYS 50 14.286% * 1.3467% (0.44 1.0 1.10 2.90) = 1.347% kept HA1 GLY 109 - HN CYS 50 14.286% * 0.0530% (0.95 1.0 0.02 0.02) = 0.053% HA CYS 21 - HN CYS 50 14.286% * 0.0325% (0.58 1.0 0.02 0.02) = 0.032% HA VAL 108 - HN CYS 50 14.286% * 0.0176% (0.31 1.0 0.02 0.02) = 0.018% HA LYS+ 102 - HN CYS 50 14.286% * 0.0118% (0.21 1.0 0.02 0.02) = 0.012% Peak 391 (4.58, 6.63, 116.57 ppm): 7 chemical-shift based assignments, quality = 0.809, support = 3.9, residual support = 60.2: O HA TRP 49 - HN TRP 49 14.286% * 80.8282% (0.81 10.0 4.19 72.15) = 80.828% kept HA CYS 50 - HN TRP 49 14.286% * 12.6390% (0.97 1.0 2.62 11.23) = 12.639% kept HA ALA 47 - HN TRP 49 14.286% * 6.3285% (0.44 1.0 2.89 7.56) = 6.329% kept HA1 GLY 109 - HN TRP 49 14.286% * 0.0942% (0.95 1.0 0.02 0.02) = 0.094% HA CYS 21 - HN TRP 49 14.286% * 0.0578% (0.58 1.0 0.02 0.02) = 0.058% HA VAL 108 - HN TRP 49 14.286% * 0.0312% (0.31 1.0 0.02 0.02) = 0.031% HA LYS+ 102 - HN TRP 49 14.286% * 0.0211% (0.21 1.0 0.02 0.02) = 0.021% Peak 392 (7.36, 11.10, 134.86 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 2.34, residual support = 69.3: O HD1 TRP 49 - HE1 TRP 49 25.000% * 96.0276% (0.89 10.0 2.41 72.15) = 96.028% kept HD2 HIS 22 - HE1 TRP 49 25.000% * 3.8368% (0.99 1.0 0.72 0.86) = 3.837% kept HD21 ASN 35 - HE1 TRP 49 25.000% * 0.0831% (0.77 1.0 0.02 0.02) = 0.083% HN LEU 67 - HE1 TRP 49 25.000% * 0.0524% (0.49 1.0 0.02 0.02) = 0.052% Peak 393 (4.58, 9.57, 121.38 ppm): 7 chemical-shift based assignments, quality = 0.962, support = 1.28, residual support = 1.2: O HA CYS 50 - HN GLY 51 14.286% * 95.7632% (0.97 10.0 1.32 1.26) = 95.763% kept HA TRP 49 - HN GLY 51 14.286% * 3.8620% (0.81 1.0 0.63 0.02) = 3.862% kept HA1 GLY 109 - HN GLY 51 14.286% * 0.1424% (0.95 1.0 0.02 0.02) = 0.142% HA CYS 21 - HN GLY 51 14.286% * 0.0873% (0.58 1.0 0.02 0.02) = 0.087% HA ALA 47 - HN GLY 51 14.286% * 0.0661% (0.44 1.0 0.02 0.02) = 0.066% HA VAL 108 - HN GLY 51 14.286% * 0.0472% (0.31 1.0 0.02 0.02) = 0.047% HA LYS+ 102 - HN GLY 51 14.286% * 0.0319% (0.21 1.0 0.02 0.02) = 0.032% Peak 394 (4.26, 9.57, 121.38 ppm): 8 chemical-shift based assignments, quality = 0.888, support = 2.62, residual support = 10.0: O HA1 GLY 51 - HN GLY 51 12.500% * 99.6442% (0.89 10.0 2.63 10.06) = 99.644% kept HA ALA 57 - HN GLY 51 12.500% * 0.1104% (0.99 1.0 0.02 0.02) = 0.110% HA THR 39 - HN GLY 51 12.500% * 0.0863% (0.77 1.0 0.02 0.02) = 0.086% HA GLU- 79 - HN GLY 51 12.500% * 0.0759% (0.68 1.0 0.02 0.02) = 0.076% HA ILE 103 - HN GLY 51 12.500% * 0.0273% (0.24 1.0 0.02 0.02) = 0.027% HA SER 117 - HN GLY 51 12.500% * 0.0206% (0.18 1.0 0.02 0.02) = 0.021% HB THR 77 - HN GLY 51 12.500% * 0.0177% (0.16 1.0 0.02 0.02) = 0.018% HA SER 85 - HN GLY 51 12.500% * 0.0177% (0.16 1.0 0.02 0.02) = 0.018% Peak 395 (7.87, 8.09, 110.83 ppm): 4 chemical-shift based assignments, quality = 0.831, support = 4.09, residual support = 15.7: T HN ARG+ 54 - HN CYS 53 25.000% * 59.4398% (0.97 10.00 5.55 25.63) = 59.440% kept T HN ASP- 62 - HN CYS 53 25.000% * 38.5889% (0.63 10.00 2.03 1.21) = 38.589% kept HN LYS+ 38 - HN CYS 53 25.000% * 1.2612% (0.77 1.00 0.53 0.02) = 1.261% kept HN LEU 31 - HN CYS 53 25.000% * 0.7101% (0.53 1.00 0.43 0.02) = 0.710% Peak 396 (8.10, 7.87, 121.30 ppm): 8 chemical-shift based assignments, quality = 0.69, support = 4.96, residual support = 21.8: T HN CYS 53 - HN ARG+ 54 12.500% * 84.3778% (0.79 10.00 5.55 25.63) = 84.378% kept T HN CYS 53 - HN ASP- 62 12.500% * 13.3572% (0.12 10.00 2.03 1.21) = 13.357% kept HN LEU 80 - HN ARG+ 54 12.500% * 1.3883% (0.54 1.00 0.48 0.02) = 1.388% kept HN ALA 34 - HN ARG+ 54 12.500% * 0.8364% (0.41 1.00 0.38 0.02) = 0.836% HN THR 26 - HN ARG+ 54 12.500% * 0.0210% (0.20 1.00 0.02 0.02) = 0.021% HN LEU 80 - HN ASP- 62 12.500% * 0.0091% (0.09 1.00 0.02 0.02) = 0.009% HN ALA 34 - HN ASP- 62 12.500% * 0.0069% (0.06 1.00 0.02 0.02) = 0.007% HN THR 26 - HN ASP- 62 12.500% * 0.0033% (0.03 1.00 0.02 0.02) = 0.003% Peak 397 (7.67, 7.87, 121.30 ppm): 6 chemical-shift based assignments, quality = 0.434, support = 0.0323, residual support = 0.0278: HD21 ASN 69 - HN ARG+ 54 16.667% * 28.6028% (0.63 0.02 0.02) = 28.603% kept HN TRP 87 - HN ARG+ 54 16.667% * 26.5733% (0.58 0.02 0.02) = 26.573% kept HD21 ASN 69 - HN ASP- 62 16.667% * 19.1085% (0.10 0.08 0.02) = 19.109% kept HN GLN 17 - HN ARG+ 54 16.667% * 18.5692% (0.41 0.02 0.02) = 18.569% kept HN TRP 87 - HN ASP- 62 16.667% * 4.2066% (0.09 0.02 0.21) = 4.207% kept HN GLN 17 - HN ASP- 62 16.667% * 2.9395% (0.06 0.02 0.02) = 2.940% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 400 (7.83, 7.59, 115.08 ppm): 8 chemical-shift based assignments, quality = 0.845, support = 3.33, residual support = 15.1: HN PHE 55 - HN ILE 56 12.500% * 89.7077% (0.92 3.60 16.77) = 89.708% kept HN ASP- 62 - HN ILE 56 12.500% * 7.1257% (0.18 1.43 0.64) = 7.126% kept HN LEU 31 - HN ILE 56 12.500% * 1.7108% (0.24 0.26 0.11) = 1.711% kept HN ALA 88 - HZ2 TRP 87 12.500% * 0.9984% (0.02 1.93 4.13) = 0.998% HN ALA 88 - HN ILE 56 12.500% * 0.4402% (0.81 0.02 0.02) = 0.440% HN PHE 55 - HZ2 TRP 87 12.500% * 0.0117% (0.02 0.02 0.02) = 0.012% HN LEU 31 - HZ2 TRP 87 12.500% * 0.0031% (0.01 0.02 1.31) = 0.003% HN ASP- 62 - HZ2 TRP 87 12.500% * 0.0023% (0.00 0.02 0.21) = 0.002% Peak 401 (7.40, 7.59, 115.08 ppm): 8 chemical-shift based assignments, quality = 0.803, support = 3.29, residual support = 13.8: HN ALA 57 - HN ILE 56 12.500% * 83.5951% (0.81 3.83 16.41) = 83.595% kept HE21 GLN 90 - HN ILE 56 12.500% * 13.3880% (0.85 0.58 0.93) = 13.388% kept HN ALA 120 - HN ILE 56 12.500% * 2.5941% (0.28 0.35 0.02) = 2.594% kept HE21 GLN 116 - HN ILE 56 12.500% * 0.3892% (0.73 0.02 0.11) = 0.389% HE21 GLN 90 - HZ2 TRP 87 12.500% * 0.0108% (0.02 0.02 0.02) = 0.011% HN ALA 57 - HZ2 TRP 87 12.500% * 0.0103% (0.02 0.02 0.02) = 0.010% HE21 GLN 116 - HZ2 TRP 87 12.500% * 0.0092% (0.02 0.02 0.02) = 0.009% HN ALA 120 - HZ2 TRP 87 12.500% * 0.0035% (0.01 0.02 0.02) = 0.004% Peak 402 (4.41, 7.59, 115.08 ppm): 14 chemical-shift based assignments, quality = 0.835, support = 0.308, residual support = 0.341: HA LEU 40 - HN ILE 56 7.143% * 46.5015% (0.77 0.40 0.63) = 46.501% kept HA PRO 58 - HN ILE 56 7.143% * 41.2772% (0.92 0.29 0.11) = 41.277% kept HA GLU- 15 - HN ILE 56 7.143% * 2.8888% (0.95 0.02 0.02) = 2.889% kept HA SER 13 - HN ILE 56 7.143% * 2.8888% (0.95 0.02 0.02) = 2.889% kept HA THR 46 - HN ILE 56 7.143% * 2.2079% (0.73 0.02 0.02) = 2.208% kept HA SER 37 - HN ILE 56 7.143% * 1.9179% (0.63 0.02 0.02) = 1.918% kept HA GLN 17 - HN ILE 56 7.143% * 1.9179% (0.63 0.02 0.02) = 1.918% kept HA GLU- 15 - HZ2 TRP 87 7.143% * 0.0680% (0.02 0.02 0.02) = 0.068% HA SER 13 - HZ2 TRP 87 7.143% * 0.0680% (0.02 0.02 0.14) = 0.068% HA PRO 58 - HZ2 TRP 87 7.143% * 0.0661% (0.02 0.02 0.02) = 0.066% HA LEU 40 - HZ2 TRP 87 7.143% * 0.0553% (0.02 0.02 0.02) = 0.055% HA THR 46 - HZ2 TRP 87 7.143% * 0.0520% (0.02 0.02 0.02) = 0.052% HA GLN 17 - HZ2 TRP 87 7.143% * 0.0452% (0.01 0.02 0.02) = 0.045% HA SER 37 - HZ2 TRP 87 7.143% * 0.0452% (0.01 0.02 0.11) = 0.045% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 403 (7.59, 7.41, 127.14 ppm): 6 chemical-shift based assignments, quality = 0.963, support = 3.75, residual support = 16.0: T HN ILE 56 - HN ALA 57 16.667% * 97.7417% (0.97 10.00 3.83 16.41) = 97.742% kept HN LYS+ 111 - HN ALA 57 16.667% * 1.5273% (0.85 1.00 0.36 0.02) = 1.527% kept HD21 ASN 28 - HN ALA 57 16.667% * 0.5196% (0.18 1.00 0.56 0.02) = 0.520% HN LEU 63 - HN ALA 57 16.667% * 0.0897% (0.89 1.00 0.02 0.02) = 0.090% HN ALA 84 - HN ALA 57 16.667% * 0.0860% (0.85 1.00 0.02 0.02) = 0.086% HE21 GLN 32 - HN ALA 57 16.667% * 0.0357% (0.35 1.00 0.02 0.02) = 0.036% Peak 404 (8.20, 7.25, 119.50 ppm): 3 chemical-shift based assignments, quality = 0.538, support = 2.32, residual support = 6.39: T HN GLU- 15 - HN PHE 59 33.333% * 47.5072% (0.75 10.00 1.07 1.91) = 47.507% kept T HN PHE 60 - HN PHE 59 33.333% * 44.2853% (0.38 10.00 3.94 11.08) = 44.285% kept T HN THR 118 - HN PHE 59 33.333% * 8.2075% (0.19 10.00 0.74 7.00) = 8.208% kept Peak 405 (4.37, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.317, support = 3.26, residual support = 35.2: O HA PHE 59 - HN PHE 59 16.667% * 68.5852% (0.14 10.0 4.35 50.28) = 68.585% kept HA LYS+ 99 - HN PHE 59 16.667% * 18.0457% (0.76 1.0 0.98 1.24) = 18.046% kept HA ILE 56 - HN PHE 59 16.667% * 12.4476% (0.66 1.0 0.78 3.85) = 12.448% kept HA ASN 35 - HN PHE 59 16.667% * 0.3322% (0.69 1.0 0.02 0.02) = 0.332% HA ASP- 113 - HN PHE 59 16.667% * 0.3186% (0.66 1.0 0.02 0.02) = 0.319% HA LEU 123 - HN PHE 59 16.667% * 0.2707% (0.56 1.0 0.02 0.02) = 0.271% Peak 406 (4.27, 7.41, 127.14 ppm): 9 chemical-shift based assignments, quality = 0.682, support = 3.54, residual support = 14.4: O HA ALA 57 - HN ALA 57 11.111% * 97.1405% (0.68 10.0 3.64 14.85) = 97.140% kept HA THR 39 - HN ALA 57 11.111% * 2.2423% (1.00 1.0 0.31 0.02) = 2.242% kept HA GLU- 79 - HN ALA 57 11.111% * 0.1413% (0.99 1.0 0.02 0.02) = 0.141% HA1 GLY 51 - HN ALA 57 11.111% * 0.1390% (0.97 1.0 0.02 0.02) = 0.139% HA ILE 103 - HN ALA 57 11.111% * 0.0902% (0.63 1.0 0.02 0.02) = 0.090% HA SER 85 - HN ALA 57 11.111% * 0.0696% (0.49 1.0 0.02 0.02) = 0.070% HB THR 77 - HN ALA 57 11.111% * 0.0696% (0.49 1.0 0.02 0.02) = 0.070% HA ASP- 44 - HN ALA 57 11.111% * 0.0567% (0.40 1.0 0.02 0.02) = 0.057% HA MET 11 - HN ALA 57 11.111% * 0.0507% (0.35 1.0 0.02 0.02) = 0.051% Peak 407 (4.38, 7.41, 127.14 ppm): 9 chemical-shift based assignments, quality = 0.937, support = 3.89, residual support = 16.4: O HA ILE 56 - HN ALA 57 11.111% * 93.6636% (0.99 10.0 3.78 16.41) = 93.664% kept HA PRO 58 - HN ALA 57 11.111% * 5.9582% (0.21 1.0 5.91 17.95) = 5.958% kept HA LEU 123 - HN ALA 57 11.111% * 0.0946% (1.00 1.0 0.02 0.02) = 0.095% HA ASN 35 - HN ALA 57 11.111% * 0.0922% (0.97 1.0 0.02 0.02) = 0.092% HA LYS+ 99 - HN ALA 57 11.111% * 0.0811% (0.85 1.0 0.02 0.02) = 0.081% HA ASP- 113 - HN ALA 57 11.111% * 0.0418% (0.44 1.0 0.02 0.02) = 0.042% HA LEU 40 - HN ALA 57 11.111% * 0.0336% (0.35 1.0 0.02 0.02) = 0.034% HA GLU- 15 - HN ALA 57 11.111% * 0.0175% (0.18 1.0 0.02 0.02) = 0.017% HA SER 13 - HN ALA 57 11.111% * 0.0175% (0.18 1.0 0.02 0.02) = 0.017% Peak 408 (8.20, 7.72, 117.18 ppm): 3 chemical-shift based assignments, quality = 0.808, support = 3.38, residual support = 11.3: T HN GLU- 15 - HN ALA 61 33.333% * 66.5122% (0.97 10.00 2.72 3.52) = 66.512% kept T HN PHE 60 - HN ALA 61 33.333% * 33.3209% (0.49 10.00 4.71 26.75) = 33.321% kept T HN THR 118 - HN ALA 61 33.333% * 0.1669% (0.24 10.00 0.02 0.02) = 0.167% Peak 409 (7.27, 7.72, 117.18 ppm): 5 chemical-shift based assignments, quality = 0.486, support = 3.29, residual support = 14.8: QD PHE 60 - HN ALA 61 20.000% * 54.1164% (0.44 4.56 26.75) = 54.116% kept QE PHE 59 - HN ALA 61 20.000% * 27.2195% (0.73 1.39 0.62) = 27.219% kept HN PHE 59 - HN ALA 61 20.000% * 18.0687% (0.28 2.42 0.62) = 18.069% kept HN LYS+ 66 - HN ALA 61 20.000% * 0.5227% (0.97 0.02 0.02) = 0.523% HN LYS+ 81 - HN ALA 61 20.000% * 0.0728% (0.14 0.02 0.02) = 0.073% Peak 410 (4.40, 7.72, 117.18 ppm): 11 chemical-shift based assignments, quality = 0.875, support = 1.07, residual support = 2.37: HA GLU- 15 - HN ALA 61 9.091% * 67.0158% (0.92 1.46 3.52) = 67.016% kept HA PRO 58 - HN ALA 61 9.091% * 18.1515% (0.95 0.38 0.02) = 18.151% kept HA LEU 40 - HN ALA 61 9.091% * 6.9662% (1.00 0.14 0.02) = 6.966% kept HA GLN 17 - HN ALA 61 9.091% * 4.0463% (0.24 0.33 0.02) = 4.046% kept HA ILE 56 - HN ALA 61 9.091% * 1.5757% (0.28 0.11 0.42) = 1.576% kept HA SER 13 - HN ALA 61 9.091% * 0.9176% (0.92 0.02 0.02) = 0.918% HA LEU 123 - HN ALA 61 9.091% * 0.3943% (0.40 0.02 0.02) = 0.394% HA THR 46 - HN ALA 61 9.091% * 0.3131% (0.31 0.02 0.02) = 0.313% HA ASN 35 - HN ALA 61 9.091% * 0.2424% (0.24 0.02 0.02) = 0.242% HA SER 37 - HN ALA 61 9.091% * 0.2424% (0.24 0.02 0.02) = 0.242% HA LYS+ 99 - HN ALA 61 9.091% * 0.1345% (0.14 0.02 0.02) = 0.135% Peak 411 (4.28, 7.72, 117.18 ppm): 9 chemical-shift based assignments, quality = 0.853, support = 0.594, residual support = 0.0898: HA ILE 103 - HN ALA 61 11.111% * 34.1226% (0.97 0.95 0.13) = 34.123% kept HA SER 85 - HN ALA 61 11.111% * 16.3446% (0.89 0.50 0.13) = 16.345% kept HA ASP- 44 - HN ALA 61 11.111% * 15.6838% (0.81 0.52 0.12) = 15.684% kept HA THR 39 - HN ALA 61 11.111% * 10.9991% (0.77 0.38 0.02) = 10.999% kept HB THR 77 - HN ALA 61 11.111% * 9.9882% (0.89 0.30 0.02) = 9.988% kept HA MET 11 - HN ALA 61 11.111% * 8.4639% (0.77 0.30 0.02) = 8.464% kept HA ALA 57 - HN ALA 61 11.111% * 3.2977% (0.28 0.32 0.02) = 3.298% kept HA GLU- 79 - HN ALA 61 11.111% * 0.6330% (0.85 0.02 0.02) = 0.633% HA1 GLY 51 - HN ALA 61 11.111% * 0.4671% (0.63 0.02 0.02) = 0.467% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 412 (7.86, 7.59, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.97, support = 5.58, residual support = 32.0: T HN ASP- 62 - HN LEU 63 20.000% * 98.7391% (0.97 10.00 5.65 32.45) = 98.739% kept HN LEU 31 - HN LEU 63 20.000% * 1.1096% (0.92 1.00 0.24 0.02) = 1.110% kept HN ARG+ 54 - HN LEU 63 20.000% * 0.0906% (0.89 1.00 0.02 0.02) = 0.091% HN LYS+ 38 - HN LEU 63 20.000% * 0.0360% (0.35 1.00 0.02 0.02) = 0.036% HN PHE 55 - HN LEU 63 20.000% * 0.0248% (0.24 1.00 0.02 0.02) = 0.025% Peak 413 (6.47, 7.59, 120.97 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 6.25, residual support = 45.2: T HN ALA 64 - HN LEU 63 100.000% *100.0000% (0.95 10.00 6.25 45.19) = 100.000% kept Peak 414 (6.91, 6.46, 118.53 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 4.11, residual support = 24.2: T HN LYS+ 65 - HN ALA 64 100.000% *100.0000% (0.95 10.00 4.11 24.22) = 100.000% kept Peak 415 (7.59, 6.46, 118.53 ppm): 6 chemical-shift based assignments, quality = 0.918, support = 5.6, residual support = 40.0: HN LEU 63 - HN ALA 64 16.667% * 88.5013% (0.99 6.25 45.19) = 88.501% kept HD21 ASN 28 - HN ALA 64 16.667% * 4.9499% (0.49 0.71 0.02) = 4.950% kept HZ2 TRP 87 - HN ALA 64 16.667% * 3.3639% (0.28 0.84 0.02) = 3.364% kept HN ALA 84 - HN ALA 64 16.667% * 2.2412% (0.49 0.32 0.02) = 2.241% kept HN LYS+ 111 - HN ALA 64 16.667% * 0.6789% (0.49 0.10 0.02) = 0.679% HN ILE 56 - HN ALA 64 16.667% * 0.2648% (0.92 0.02 0.02) = 0.265% Peak 416 (6.47, 6.90, 114.80 ppm): 1 chemical-shift based assignment, quality = 0.656, support = 4.11, residual support = 24.2: T HN ALA 64 - HN LYS+ 65 100.000% *100.0000% (0.66 10.00 4.11 24.22) = 100.000% kept Peak 417 (7.27, 6.90, 114.80 ppm): 5 chemical-shift based assignments, quality = 0.597, support = 4.16, residual support = 22.5: HN LYS+ 66 - HN LYS+ 65 20.000% * 77.3446% (0.67 5.01 29.03) = 77.345% kept QD PHE 60 - HN LYS+ 65 20.000% * 12.4111% (0.30 1.77 0.52) = 12.411% kept QE PHE 59 - HN LYS+ 65 20.000% * 7.7469% (0.50 0.67 0.02) = 7.747% kept HN LYS+ 81 - HN LYS+ 65 20.000% * 1.7244% (0.09 0.80 0.24) = 1.724% kept HN PHE 59 - HN LYS+ 65 20.000% * 0.7730% (0.19 0.18 0.02) = 0.773% Peak 418 (4.22, 6.90, 114.80 ppm): 3 chemical-shift based assignments, quality = 0.659, support = 0.871, residual support = 1.24: HA ASP- 62 - HN LYS+ 65 33.333% * 68.2909% (0.66 1.07 1.66) = 68.291% kept HB THR 26 - HN LYS+ 65 33.333% * 30.8583% (0.68 0.46 0.35) = 30.858% kept HA SER 117 - HN LYS+ 65 33.333% * 0.8508% (0.44 0.02 0.02) = 0.851% Peak 419 (6.91, 7.27, 117.25 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 5.01, residual support = 29.0: T HN LYS+ 65 - HN LYS+ 66 100.000% *100.0000% (0.95 10.00 5.01 29.03) = 100.000% kept Peak 420 (4.08, 7.27, 117.25 ppm): 3 chemical-shift based assignments, quality = 0.95, support = 4.72, residual support = 88.6: O HA LYS+ 66 - HN LYS+ 66 33.333% * 99.9634% (0.95 10.0 4.72 88.66) = 99.963% kept HA GLU- 36 - HN LYS+ 66 33.333% * 0.0224% (0.21 1.0 0.02 0.02) = 0.022% HA LYS+ 81 - HN LYS+ 66 33.333% * 0.0142% (0.14 1.0 0.02 0.71) = 0.014% Peak 421 (6.95, 7.34, 119.88 ppm): 2 chemical-shift based assignments, quality = 0.0799, support = 2.27, residual support = 34.7: HD22 ASN 28 - HE3 TRP 27 50.000% * 90.0314% (0.03 2.52 38.50) = 90.031% kept HD22 ASN 28 - HN LEU 67 50.000% * 9.9686% (0.49 0.02 0.02) = 9.969% kept Peak 422 (4.99, 7.34, 119.88 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 5.02, residual support = 44.5: O HA LEU 67 - HN LEU 67 50.000% * 99.9928% (1.00 10.0 5.03 44.55) = 99.993% kept HA LEU 67 - HE3 TRP 27 50.000% * 0.0072% (0.07 1.0 0.02 0.02) = 0.007% Peak 423 (4.08, 7.34, 119.88 ppm): 6 chemical-shift based assignments, quality = 0.95, support = 4.68, residual support = 14.4: O HA LYS+ 66 - HN LEU 67 16.667% * 99.9536% (0.95 10.0 4.68 14.36) = 99.954% kept HA GLU- 36 - HN LEU 67 16.667% * 0.0224% (0.21 1.0 0.02 0.02) = 0.022% HA LYS+ 81 - HN LEU 67 16.667% * 0.0142% (0.14 1.0 0.02 0.78) = 0.014% HA LYS+ 66 - HE3 TRP 27 16.667% * 0.0072% (0.07 1.0 0.02 0.02) = 0.007% HA GLU- 36 - HE3 TRP 27 16.667% * 0.0016% (0.02 1.0 0.02 0.02) = 0.002% HA LYS+ 81 - HE3 TRP 27 16.667% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% Peak 424 (7.97, 8.82, 114.58 ppm): 2 chemical-shift based assignments, quality = 0.815, support = 3.24, residual support = 14.2: T HN VAL 70 - HN ASN 69 50.000% * 99.9774% (0.81 10.00 3.24 14.22) = 99.977% kept HN LYS+ 33 - HN ASN 69 50.000% * 0.0226% (0.18 1.00 0.02 0.02) = 0.023% Peak 425 (4.69, 8.82, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.678, support = 4.61, residual support = 49.1: O HA ASN 69 - HN ASN 69 33.333% * 99.8281% (0.68 10.0 4.62 49.18) = 99.828% kept HA HIS 22 - HN ASN 69 33.333% * 0.1198% (0.81 1.0 0.02 0.02) = 0.120% HA VAL 43 - HN ASN 69 33.333% * 0.0521% (0.35 1.0 0.02 0.02) = 0.052% Peak 426 (6.65, 7.68, 113.30 ppm): 2 chemical-shift based assignments, quality = 0.5, support = 2.44, residual support = 49.2: O T HD22 ASN 69 - HD21 ASN 69 50.000% * 99.9454% (0.50 10.0 10.00 2.44 49.18) = 99.945% kept HE22 GLN 30 - HD21 ASN 69 50.000% * 0.0546% (0.27 1.0 1.00 0.02 0.02) = 0.055% Peak 427 (7.69, 6.66, 113.30 ppm): 4 chemical-shift based assignments, quality = 0.501, support = 2.38, residual support = 47.7: O HD21 ASN 69 - HD22 ASN 69 25.000% * 96.9526% (0.50 10.0 2.44 49.18) = 96.953% kept HN GLN 17 - HD22 ASN 69 25.000% * 2.9270% (0.56 1.0 0.54 0.02) = 2.927% kept HN TRP 87 - HD22 ASN 69 25.000% * 0.1004% (0.52 1.0 0.02 0.02) = 0.100% HE3 TRP 87 - HD22 ASN 69 25.000% * 0.0200% (0.10 1.0 0.02 0.02) = 0.020% Peak 428 (6.97, 7.98, 124.64 ppm): 2 chemical-shift based assignments, quality = 0.412, support = 1.92, residual support = 28.9: QE PHE 72 - HN VAL 70 50.000% * 85.2494% (0.31 2.23 33.76) = 85.249% kept HD22 ASN 28 - HN VAL 70 50.000% * 14.7506% (0.97 0.12 0.51) = 14.751% kept Peak 429 (8.81, 7.98, 124.64 ppm): 2 chemical-shift based assignments, quality = 0.695, support = 3.09, residual support = 13.3: T HN ASN 69 - HN VAL 70 50.000% * 93.3530% (0.68 10.00 3.24 14.22) = 93.353% kept HN ASN 28 - HN VAL 70 50.000% * 6.6470% (0.92 1.00 1.05 0.51) = 6.647% kept Peak 430 (4.69, 7.99, 124.64 ppm): 3 chemical-shift based assignments, quality = 0.821, support = 3.16, residual support = 14.2: O HA ASN 69 - HN VAL 70 33.333% * 99.8259% (0.82 10.0 3.17 14.22) = 99.826% kept HA HIS 22 - HN VAL 70 33.333% * 0.1088% (0.90 1.0 0.02 0.02) = 0.109% HA VAL 43 - HN VAL 70 33.333% * 0.0652% (0.54 1.0 0.02 0.02) = 0.065% Peak 431 (4.03, 7.98, 124.64 ppm): 7 chemical-shift based assignments, quality = 0.62, support = 4.23, residual support = 66.7: O HA VAL 70 - HN VAL 70 14.286% * 99.5926% (0.62 10.0 4.25 66.98) = 99.593% kept HB2 SER 37 - HN VAL 70 14.286% * 0.1407% (0.88 1.0 0.02 0.02) = 0.141% HA GLN 116 - HN VAL 70 14.286% * 0.0996% (0.62 1.0 0.02 0.02) = 0.100% HA1 GLY 16 - HN VAL 70 14.286% * 0.0769% (0.48 1.0 0.02 0.02) = 0.077% HA LYS+ 33 - HN VAL 70 14.286% * 0.0439% (0.27 1.0 0.02 0.02) = 0.044% HA GLU- 29 - HN VAL 70 14.286% * 0.0250% (0.16 1.0 0.02 0.02) = 0.025% HA VAL 18 - HN VAL 70 14.286% * 0.0214% (0.13 1.0 0.02 0.54) = 0.021% Peak 432 (4.65, 8.15, 128.27 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 6.37, residual support = 130.8: O HA LEU 71 - HN LEU 71 50.000% * 99.6929% (1.00 10.0 6.39 131.16) = 99.693% kept HA ALA 20 - HN LEU 71 50.000% * 0.3071% (0.24 1.0 0.25 0.02) = 0.307% Peak 433 (4.01, 8.15, 128.27 ppm): 7 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 33.8: O HA VAL 70 - HN LEU 71 14.286% * 95.6672% (1.00 10.0 5.42 35.28) = 95.667% kept HA VAL 18 - HN LEU 71 14.286% * 4.0183% (0.58 1.0 1.44 0.02) = 4.018% kept HA GLN 116 - HN LEU 71 14.286% * 0.0957% (1.00 1.0 0.02 0.02) = 0.096% HA LYS+ 33 - HN LEU 71 14.286% * 0.0780% (0.81 1.0 0.02 0.02) = 0.078% HA GLU- 29 - HN LEU 71 14.286% * 0.0603% (0.63 1.0 0.02 0.02) = 0.060% HB2 SER 82 - HN LEU 71 14.286% * 0.0466% (0.49 1.0 0.02 0.02) = 0.047% HB2 SER 37 - HN LEU 71 14.286% * 0.0339% (0.35 1.0 0.02 0.02) = 0.034% Peak 434 (4.88, 8.15, 128.27 ppm): 3 chemical-shift based assignments, quality = 0.928, support = 1.15, residual support = 0.973: HA VAL 41 - HN LEU 71 33.333% * 71.0833% (1.00 1.34 1.17) = 71.083% kept HA HIS 122 - HN LEU 71 33.333% * 28.4488% (0.77 0.69 0.49) = 28.449% kept HA PHE 45 - HN LEU 71 33.333% * 0.4679% (0.44 0.02 0.02) = 0.468% Peak 435 (8.93, 8.15, 128.27 ppm): 3 chemical-shift based assignments, quality = 0.775, support = 2.47, residual support = 2.43: HN ILE 19 - HN LEU 71 33.333% * 59.4866% (0.97 2.50 2.27) = 59.487% kept HN LEU 73 - HN LEU 71 33.333% * 33.5290% (0.49 2.81 3.20) = 33.529% kept HN VAL 42 - HN LEU 71 33.333% * 6.9844% (0.49 0.59 0.10) = 6.984% kept Peak 436 (6.67, 9.36, 127.59 ppm): 3 chemical-shift based assignments, quality = 0.323, support = 5.07, residual support = 75.8: QD PHE 72 - HN PHE 72 33.333% * 96.1322% (0.31 5.27 78.89) = 96.132% kept HD22 ASN 69 - HN PHE 72 33.333% * 3.2497% (0.63 0.09 0.02) = 3.250% kept QE PHE 45 - HN PHE 72 33.333% * 0.6182% (0.53 0.02 0.02) = 0.618% Peak 437 (5.26, 9.36, 127.59 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 4.96, residual support = 78.9: O HA PHE 72 - HN PHE 72 100.000% *100.0000% (0.40 10.0 4.96 78.89) = 100.000% kept Peak 438 (4.65, 9.36, 127.59 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.35, residual support = 16.7: O HA LEU 71 - HN PHE 72 50.000% * 99.9756% (1.00 10.0 5.35 16.74) = 99.976% kept HA ALA 20 - HN PHE 72 50.000% * 0.0244% (0.24 1.0 0.02 0.02) = 0.024% Peak 439 (4.83, 9.36, 127.59 ppm): 3 chemical-shift based assignments, quality = 0.844, support = 0.679, residual support = 0.719: HA ASP- 78 - HN PHE 72 33.333% * 67.5152% (0.95 0.75 0.90) = 67.515% kept HA THR 23 - HN PHE 72 33.333% * 32.0821% (0.63 0.54 0.34) = 32.082% kept HA LEU 80 - HN PHE 72 33.333% * 0.4027% (0.21 0.02 1.20) = 0.403% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 440 (7.61, 8.95, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.559, support = 0.774, residual support = 2.86: HN LEU 63 - HN LEU 73 20.000% * 36.0908% (0.28 1.49 7.26) = 36.091% kept HD21 ASN 28 - HN LEU 73 20.000% * 21.6279% (0.97 0.26 0.13) = 21.628% kept QE PHE 60 - HN LEU 73 20.000% * 19.9495% (0.35 0.65 0.93) = 19.950% kept HZ2 TRP 87 - HN LEU 73 20.000% * 17.0195% (0.99 0.20 0.02) = 17.020% kept HN ILE 56 - HN LEU 73 20.000% * 5.3123% (0.18 0.33 0.45) = 5.312% kept Peak 441 (5.57, 8.95, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 5.83, residual support = 123.8: O HA LEU 73 - HN LEU 73 100.000% *100.0000% (0.92 10.0 5.83 123.80) = 100.000% kept Peak 442 (5.26, 8.95, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 4.9, residual support = 30.0: O HA PHE 72 - HN LEU 73 100.000% *100.0000% (0.40 10.0 4.90 30.03) = 100.000% kept Peak 443 (4.66, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 2.35, residual support = 2.72: HA LEU 71 - HN LEU 73 33.333% * 61.6422% (0.77 2.37 3.20) = 61.642% kept HA VAL 43 - HN LEU 73 33.333% * 33.6818% (0.40 2.52 2.21) = 33.682% kept HA ASN 69 - HN LEU 73 33.333% * 4.6760% (0.16 0.88 0.02) = 4.676% kept Peak 444 (7.90, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.32, support = 0.252, residual support = 0.139: T HN ILE 119 - HN LYS+ 74 33.333% * 97.1855% (0.31 10.00 0.26 0.14) = 97.186% kept HN SER 37 - HN LYS+ 74 33.333% * 1.5753% (0.65 1.00 0.02 0.02) = 1.575% kept HN ILE 89 - HN LYS+ 74 33.333% * 1.2392% (0.51 1.00 0.02 0.02) = 1.239% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 445 (8.94, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.511, support = 3.18, residual support = 7.99: T HN ILE 19 - HN LYS+ 74 33.333% * 76.1457% (0.48 10.00 2.93 5.32) = 76.146% kept HN LEU 73 - HN LYS+ 74 33.333% * 21.2105% (0.61 1.00 4.42 18.59) = 21.210% kept HN VAL 42 - HN LYS+ 74 33.333% * 2.6438% (0.61 1.00 0.55 0.02) = 2.644% kept Peak 446 (5.56, 8.48, 121.30 ppm): 1 chemical-shift based assignment, quality = 0.673, support = 4.45, residual support = 18.6: O HA LEU 73 - HN LYS+ 74 100.000% *100.0000% (0.67 10.0 4.45 18.59) = 100.000% kept Peak 447 (4.90, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.143, support = 4.87, residual support = 138.3: O HA LYS+ 74 - HN LYS+ 74 33.333% * 88.0874% (0.11 10.0 5.45 157.02) = 88.087% kept HA HIS 122 - HN LYS+ 74 33.333% * 8.1331% (0.28 1.0 0.74 0.12) = 8.133% kept HA MET 92 - HN LYS+ 74 33.333% * 3.7795% (0.58 1.0 0.17 0.02) = 3.780% kept Peak 448 (4.63, 8.48, 121.30 ppm): 2 chemical-shift based assignments, quality = 0.58, support = 2.81, residual support = 3.37: HA ALA 20 - HN LYS+ 74 50.000% * 76.1984% (0.67 2.99 3.80) = 76.198% kept HA LEU 71 - HN LYS+ 74 50.000% * 23.8016% (0.28 2.24 1.99) = 23.802% kept Peak 449 (4.91, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 5.45, residual support = 18.4: O HA LYS+ 74 - HN VAL 75 50.000% * 99.7956% (0.49 10.0 5.46 18.48) = 99.796% kept HA MET 92 - HN VAL 75 50.000% * 0.2044% (1.00 1.0 0.02 0.02) = 0.204% Peak 450 (4.99, 9.10, 128.88 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 0.02, residual support = 3.98: HA LEU 67 - HN ASP- 76 100.000% *100.0000% (1.00 0.02 3.98) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 451 (4.50, 9.14, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.532, support = 3.27, residual support = 8.79: O HA VAL 107 - HN VAL 108 25.000% * 99.5789% (0.53 10.0 3.28 8.83) = 99.579% kept HA TRP 27 - HN VAL 108 25.000% * 0.1771% (0.95 1.0 0.02 0.02) = 0.177% HA ALA 91 - HN VAL 108 25.000% * 0.1354% (0.73 1.0 0.02 0.02) = 0.135% HA PRO 52 - HN VAL 108 25.000% * 0.1086% (0.58 1.0 0.02 0.02) = 0.109% Peak 452 (8.52, 9.27, 119.07 ppm): 2 chemical-shift based assignments, quality = 0.961, support = 4.74, residual support = 20.2: T HN ASP- 78 - HN THR 77 50.000% * 97.7100% (0.97 10.00 4.83 20.68) = 97.710% kept HN VAL 75 - HN THR 77 50.000% * 2.2900% (0.49 1.00 0.94 0.91) = 2.290% kept Peak 453 (9.28, 8.52, 119.25 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 4.83, residual support = 20.7: T HN THR 77 - HN ASP- 78 100.000% *100.0000% (1.00 10.00 4.83 20.68) = 100.000% kept Peak 454 (8.02, 8.52, 119.25 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 3.51, residual support = 16.2: T HN GLU- 79 - HN ASP- 78 50.000% * 99.9219% (0.99 10.00 3.51 16.18) = 99.922% kept HN THR 94 - HN ASP- 78 50.000% * 0.0781% (0.77 1.00 0.02 0.02) = 0.078% Peak 455 (8.53, 8.02, 121.50 ppm): 2 chemical-shift based assignments, quality = 0.543, support = 3.47, residual support = 16.0: T HN ASP- 78 - HN GLU- 79 50.000% * 98.8261% (0.54 10.00 3.51 16.18) = 98.826% kept HN VAL 75 - HN GLU- 79 50.000% * 1.1739% (0.54 1.00 0.24 0.02) = 1.174% kept Peak 458 (4.27, 8.02, 121.50 ppm): 9 chemical-shift based assignments, quality = 0.586, support = 3.85, residual support = 42.7: O HA GLU- 79 - HN GLU- 79 11.111% * 96.1266% (0.60 10.0 3.98 44.44) = 96.127% kept HB THR 77 - HN GLU- 79 11.111% * 2.5980% (0.30 1.0 1.10 0.02) = 2.598% kept HA1 GLY 51 - HN GLU- 79 11.111% * 0.5142% (0.59 1.0 0.11 0.02) = 0.514% HA ALA 57 - HN GLU- 79 11.111% * 0.4820% (0.41 1.0 0.15 0.02) = 0.482% HA THR 39 - HN GLU- 79 11.111% * 0.0974% (0.61 1.0 0.02 0.02) = 0.097% HA ILE 103 - HN GLU- 79 11.111% * 0.0614% (0.38 1.0 0.02 0.02) = 0.061% HA SER 85 - HN GLU- 79 11.111% * 0.0474% (0.30 1.0 0.02 0.02) = 0.047% HA ASP- 44 - HN GLU- 79 11.111% * 0.0386% (0.24 1.0 0.02 0.02) = 0.039% HA MET 11 - HN GLU- 79 11.111% * 0.0345% (0.22 1.0 0.02 0.02) = 0.035% Peak 459 (4.86, 8.02, 121.50 ppm): 2 chemical-shift based assignments, quality = 0.499, support = 0.02, residual support = 0.02: HA PHE 45 - HN GLU- 79 50.000% * 71.3409% (0.60 0.02 0.02) = 71.341% kept HA VAL 41 - HN GLU- 79 50.000% * 28.6591% (0.24 0.02 0.02) = 28.659% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 460 (5.00, 9.27, 119.07 ppm): 2 chemical-shift based assignments, quality = 0.407, support = 4.05, residual support = 7.91: O HA ASP- 76 - HN THR 77 50.000% * 97.6217% (0.40 10.0 4.15 8.11) = 97.622% kept HA LEU 67 - HN THR 77 50.000% * 2.3783% (0.81 1.0 0.24 0.02) = 2.378% kept Peak 461 (4.58, 9.27, 119.07 ppm): 7 chemical-shift based assignments, quality = 0.588, support = 0.615, residual support = 0.943: HA ALA 47 - HN THR 77 14.286% * 62.9771% (0.44 0.93 1.49) = 62.977% kept HA CYS 50 - HN THR 77 14.286% * 13.8790% (0.97 0.09 0.02) = 13.879% kept HA1 GLY 109 - HN THR 77 14.286% * 13.8361% (0.95 0.09 0.02) = 13.836% kept HA VAL 108 - HN THR 77 14.286% * 4.3523% (0.31 0.09 0.02) = 4.352% kept HA TRP 49 - HN THR 77 14.286% * 2.5086% (0.81 0.02 0.02) = 2.509% kept HA CYS 21 - HN THR 77 14.286% * 1.7927% (0.58 0.02 0.02) = 1.793% kept HA LYS+ 102 - HN THR 77 14.286% * 0.6542% (0.21 0.02 0.02) = 0.654% Peak 462 (4.45, 9.27, 119.07 ppm): 6 chemical-shift based assignments, quality = 0.699, support = 0.463, residual support = 0.672: HA VAL 42 - HN THR 77 16.667% * 58.3895% (0.81 0.58 1.07) = 58.390% kept HA GLN 90 - HN THR 77 16.667% * 27.6968% (0.58 0.38 0.16) = 27.697% kept HA ALA 110 - HN THR 77 16.667% * 9.5184% (0.44 0.17 0.02) = 9.518% kept HA PHE 55 - HN THR 77 16.667% * 2.0155% (0.81 0.02 0.02) = 2.016% kept HA SER 37 - HN THR 77 16.667% * 1.9246% (0.18 0.08 0.02) = 1.925% kept HA GLN 17 - HN THR 77 16.667% * 0.4552% (0.18 0.02 0.02) = 0.455% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 463 (4.29, 9.27, 119.07 ppm): 10 chemical-shift based assignments, quality = 0.674, support = 3.7, residual support = 31.5: O HB THR 77 - HN THR 77 10.000% * 99.2256% (0.68 10.0 3.73 31.72) = 99.226% kept HA MET 11 - HN THR 77 10.000% * 0.1191% (0.81 1.0 0.02 0.02) = 0.119% HA ALA 12 - HN THR 77 10.000% * 0.1128% (0.77 1.0 0.02 0.02) = 0.113% HA ASP- 44 - HN THR 77 10.000% * 0.1128% (0.77 1.0 0.02 0.02) = 0.113% HA ASP- 86 - HN THR 77 10.000% * 0.1061% (0.73 1.0 0.02 0.02) = 0.106% HA SER 85 - HN THR 77 10.000% * 0.0992% (0.68 1.0 0.02 0.02) = 0.099% HA GLU- 14 - HN THR 77 10.000% * 0.0922% (0.63 1.0 0.02 0.02) = 0.092% HA ILE 103 - HN THR 77 10.000% * 0.0781% (0.53 1.0 0.02 0.02) = 0.078% HA LEU 104 - HN THR 77 10.000% * 0.0311% (0.21 1.0 0.02 0.02) = 0.031% HA GLU- 79 - HN THR 77 10.000% * 0.0231% (0.16 1.0 0.02 0.02) = 0.023% Peak 465 (8.07, 7.29, 121.74 ppm): 5 chemical-shift based assignments, quality = 0.618, support = 3.11, residual support = 9.72: T HN ALA 34 - HN LYS+ 81 20.000% * 54.8874% (0.68 10.00 2.32 2.26) = 54.887% kept T HN LEU 80 - HN LYS+ 81 20.000% * 43.1760% (0.53 10.00 4.24 19.64) = 43.176% kept HN GLN 32 - HN LYS+ 81 20.000% * 1.8887% (0.77 1.00 0.61 0.02) = 1.889% kept HN SER 85 - HN LYS+ 81 20.000% * 0.0255% (0.31 1.00 0.02 0.02) = 0.025% HN CYS 53 - HN LYS+ 81 20.000% * 0.0225% (0.28 1.00 0.02 0.02) = 0.022% Peak 466 (8.64, 7.29, 121.74 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.5, residual support = 9.47: T HN SER 82 - HN LYS+ 81 25.000% * 99.9176% (1.00 10.00 3.50 9.48) = 99.918% kept HN GLY 16 - HN LYS+ 81 25.000% * 0.0396% (0.40 1.00 0.02 0.02) = 0.040% HN GLN 90 - HN LYS+ 81 25.000% * 0.0244% (0.24 1.00 0.02 0.02) = 0.024% HN SER 117 - HN LYS+ 81 25.000% * 0.0184% (0.18 1.00 0.02 0.02) = 0.018% Peak 467 (4.82, 7.29, 121.74 ppm): 5 chemical-shift based assignments, quality = 0.619, support = 4.24, residual support = 17.1: O HA LEU 80 - HN LYS+ 81 20.000% * 86.8337% (0.58 10.0 4.72 19.64) = 86.834% kept HA ASP- 78 - HN LYS+ 81 20.000% * 9.1215% (0.92 1.0 1.33 0.38) = 9.122% kept HA THR 23 - HN LYS+ 81 20.000% * 2.7898% (0.97 1.0 0.39 0.02) = 2.790% kept HA ASP- 105 - HN LYS+ 81 20.000% * 1.1958% (0.16 1.0 1.01 0.02) = 1.196% kept HB THR 23 - HN LYS+ 81 20.000% * 0.0591% (0.40 1.0 0.02 0.02) = 0.059% Peak 468 (4.10, 7.29, 121.74 ppm): 4 chemical-shift based assignments, quality = 0.985, support = 4.91, residual support = 83.6: O HA LYS+ 81 - HN LYS+ 81 25.000% * 99.7650% (0.99 10.0 4.92 83.78) = 99.765% kept HA GLU- 36 - HN LYS+ 81 25.000% * 0.0933% (0.92 1.0 0.02 0.02) = 0.093% HA ALA 124 - HN LYS+ 81 25.000% * 0.0780% (0.77 1.0 0.02 0.02) = 0.078% HA ARG+ 54 - HN LYS+ 81 25.000% * 0.0637% (0.63 1.0 0.02 0.02) = 0.064% Peak 469 (4.17, 8.64, 114.33 ppm): 4 chemical-shift based assignments, quality = 0.893, support = 0.633, residual support = 0.201: HA CYS 53 - HN SER 82 25.000% * 43.3765% (0.97 0.75 0.29) = 43.376% kept HA ILE 19 - HN SER 82 25.000% * 29.8776% (0.95 0.53 0.16) = 29.878% kept HA GLU- 25 - HN SER 82 25.000% * 25.3159% (0.73 0.59 0.10) = 25.316% kept HA THR 26 - HN SER 82 25.000% * 1.4301% (0.24 0.10 0.02) = 1.430% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 470 (4.78, 8.64, 114.33 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.456, residual support = 0.559: HA ASP- 105 - HN SER 82 100.000% *100.0000% (0.28 0.46 0.56) = 100.000% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 471 (6.59, 8.64, 114.33 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.45, residual support = 13.6: T HN VAL 83 - HN SER 82 50.000% * 99.9370% (1.00 10.00 4.45 13.60) = 99.937% kept HN CYS 50 - HN SER 82 50.000% * 0.0630% (0.63 1.00 0.02 0.02) = 0.063% Peak 472 (7.29, 8.64, 114.33 ppm): 3 chemical-shift based assignments, quality = 0.977, support = 3.43, residual support = 9.26: HN LYS+ 81 - HN SER 82 33.333% * 97.7047% (1.00 3.50 9.48) = 97.705% kept HN LYS+ 66 - HN SER 82 33.333% * 1.8885% (0.18 0.37 0.02) = 1.888% kept QD PHE 60 - HN SER 82 33.333% * 0.4069% (0.73 0.02 0.02) = 0.407% Peak 473 (7.58, 6.59, 123.60 ppm): 5 chemical-shift based assignments, quality = 0.738, support = 6.71, residual support = 31.6: T HN ALA 84 - HN VAL 83 20.000% * 99.0491% (0.75 10.00 6.78 31.89) = 99.049% kept HE21 GLN 32 - HN VAL 83 20.000% * 0.7397% (0.58 1.00 0.19 0.02) = 0.740% HN LYS+ 111 - HN VAL 83 20.000% * 0.0990% (0.75 1.00 0.02 0.02) = 0.099% HN ILE 56 - HN VAL 83 20.000% * 0.0633% (0.48 1.00 0.02 0.02) = 0.063% HN LEU 63 - HN VAL 83 20.000% * 0.0488% (0.37 1.00 0.02 0.02) = 0.049% Peak 474 (8.64, 6.59, 123.60 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 4.39, residual support = 13.3: T HN SER 82 - HN VAL 83 25.000% * 97.4891% (0.75 10.00 4.45 13.60) = 97.489% kept HN GLN 90 - HN VAL 83 25.000% * 2.4543% (0.18 1.00 2.06 0.57) = 2.454% kept HN GLY 16 - HN VAL 83 25.000% * 0.0387% (0.30 1.00 0.02 0.02) = 0.039% HN SER 117 - HN VAL 83 25.000% * 0.0179% (0.14 1.00 0.02 0.02) = 0.018% Peak 475 (8.05, 7.58, 119.96 ppm): 2 chemical-shift based assignments, quality = 0.986, support = 3.74, residual support = 15.7: T HN SER 85 - HN ALA 84 50.000% * 99.9175% (0.99 10.00 3.75 15.67) = 99.918% kept HN GLN 32 - HN ALA 84 50.000% * 0.0825% (0.81 1.00 0.02 0.02) = 0.082% Peak 476 (6.59, 7.58, 119.96 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 6.71, residual support = 31.6: T HN VAL 83 - HN ALA 84 50.000% * 99.0103% (1.00 10.00 6.78 31.89) = 99.010% kept HN CYS 50 - HN ALA 84 50.000% * 0.9897% (0.63 1.00 0.32 0.02) = 0.990% Peak 477 (4.11, 7.58, 119.96 ppm): 7 chemical-shift based assignments, quality = 0.819, support = 0.567, residual support = 0.103: HA LYS+ 81 - HN ALA 84 14.286% * 38.4562% (0.73 0.81 0.24) = 38.456% kept HA ARG+ 54 - HN ALA 84 14.286% * 27.6263% (0.95 0.44 0.02) = 27.626% kept HA ALA 124 - HN ALA 84 14.286% * 26.7776% (1.00 0.41 0.02) = 26.778% kept HA ALA 34 - HN ALA 84 14.286% * 5.4965% (0.18 0.46 0.02) = 5.496% kept HA GLU- 36 - HN ALA 84 14.286% * 0.7644% (0.58 0.02 0.02) = 0.764% HA ASN 28 - HN ALA 84 14.286% * 0.4655% (0.35 0.02 0.02) = 0.465% HA LEU 115 - HN ALA 84 14.286% * 0.4135% (0.31 0.02 0.02) = 0.413% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 478 (4.16, 6.59, 123.60 ppm): 5 chemical-shift based assignments, quality = 0.537, support = 1.54, residual support = 0.998: HA CYS 53 - HN VAL 83 20.000% * 50.2385% (0.67 1.84 1.63) = 50.238% kept HA ILE 19 - HN VAL 83 20.000% * 27.0664% (0.44 1.52 0.58) = 27.066% kept HA GLU- 25 - HN VAL 83 20.000% * 11.3862% (0.24 1.18 0.16) = 11.386% kept HA THR 26 - HN VAL 83 20.000% * 11.1596% (0.48 0.58 0.02) = 11.160% kept HA GLU- 114 - HN VAL 83 20.000% * 0.1493% (0.18 0.02 0.02) = 0.149% Peak 479 (8.06, 6.59, 123.60 ppm): 4 chemical-shift based assignments, quality = 0.512, support = 1.64, residual support = 2.97: T HN SER 85 - HN VAL 83 25.000% * 96.7689% (0.51 10.00 1.69 3.07) = 96.769% kept HN GLN 32 - HN VAL 83 25.000% * 1.6101% (0.75 1.00 0.19 0.02) = 1.610% kept HN ALA 34 - HN VAL 83 25.000% * 1.5850% (0.24 1.00 0.60 0.02) = 1.585% kept HN LEU 80 - HN VAL 83 25.000% * 0.0359% (0.16 1.00 0.02 0.02) = 0.036% Peak 480 (8.63, 7.58, 119.96 ppm): 3 chemical-shift based assignments, quality = 0.76, support = 2.72, residual support = 2.08: HN SER 82 - HN ALA 84 33.333% * 77.4078% (0.81 3.17 2.59) = 77.408% kept HN GLN 90 - HN ALA 84 33.333% * 21.5622% (0.58 1.23 0.34) = 21.562% kept HN ILE 103 - HN ALA 84 33.333% * 1.0300% (0.35 0.10 0.02) = 1.030% kept Peak 481 (8.32, 8.05, 111.48 ppm): 6 chemical-shift based assignments, quality = 0.727, support = 2.58, residual support = 6.85: HN ASP- 86 - HN SER 85 16.667% * 70.2066% (0.73 3.27 9.64) = 70.207% kept HN GLN 30 - HN SER 85 16.667% * 25.8663% (0.81 1.07 0.31) = 25.866% kept HN GLU- 29 - HN SER 85 16.667% * 2.7554% (0.24 0.38 0.02) = 2.755% kept HN GLU- 14 - HN SER 85 16.667% * 0.4822% (0.81 0.02 0.02) = 0.482% HE1 HIS 122 - HN SER 85 16.667% * 0.3733% (0.63 0.02 0.02) = 0.373% HN LYS+ 99 - HN SER 85 16.667% * 0.3161% (0.53 0.02 0.02) = 0.316% Peak 482 (7.59, 8.05, 111.48 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 3.58, residual support = 14.9: T HN ALA 84 - HN SER 85 16.667% * 95.0257% (0.85 10.00 3.75 15.67) = 95.026% kept HN ILE 56 - HN SER 85 16.667% * 2.5179% (0.97 1.00 0.47 0.02) = 2.518% kept HN LEU 63 - HN SER 85 16.667% * 2.0897% (0.89 1.00 0.42 0.02) = 2.090% kept HE21 GLN 32 - HN SER 85 16.667% * 0.2513% (0.35 1.00 0.13 0.02) = 0.251% HN LYS+ 111 - HN SER 85 16.667% * 0.0950% (0.85 1.00 0.02 0.02) = 0.095% HD21 ASN 28 - HN SER 85 16.667% * 0.0205% (0.18 1.00 0.02 0.02) = 0.020% Peak 483 (6.58, 8.05, 111.48 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 1.69, residual support = 3.07: T HN VAL 83 - HN SER 85 50.000% * 99.9595% (0.81 10.00 1.69 3.07) = 99.960% kept HN CYS 50 - HN SER 85 50.000% * 0.0405% (0.28 1.00 0.02 0.02) = 0.040% Peak 484 (4.29, 8.05, 111.48 ppm): 11 chemical-shift based assignments, quality = 0.945, support = 2.96, residual support = 14.4: O HA SER 85 - HN SER 85 9.091% * 93.9343% (0.99 10.0 2.94 14.81) = 93.934% kept HA ASP- 86 - HN SER 85 9.091% * 5.5265% (0.31 1.0 3.69 9.64) = 5.527% kept HA ASP- 44 - HN SER 85 9.091% * 0.0951% (1.00 1.0 0.02 0.02) = 0.095% HA MET 11 - HN SER 85 9.091% * 0.0948% (1.00 1.0 0.02 0.02) = 0.095% HB THR 77 - HN SER 85 9.091% * 0.0939% (0.99 1.0 0.02 0.02) = 0.094% HA ILE 103 - HN SER 85 9.091% * 0.0878% (0.92 1.0 0.02 0.02) = 0.088% HA GLU- 79 - HN SER 85 9.091% * 0.0463% (0.49 1.0 0.02 0.02) = 0.046% HA THR 39 - HN SER 85 9.091% * 0.0377% (0.40 1.0 0.02 0.02) = 0.038% HA ALA 12 - HN SER 85 9.091% * 0.0337% (0.35 1.0 0.02 0.02) = 0.034% HA1 GLY 51 - HN SER 85 9.091% * 0.0265% (0.28 1.0 0.02 0.02) = 0.026% HA GLU- 14 - HN SER 85 9.091% * 0.0232% (0.24 1.0 0.02 0.02) = 0.023% Peak 485 (4.15, 8.05, 111.48 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 0.709, residual support = 0.55: HA THR 26 - HN SER 85 16.667% * 83.0490% (0.97 0.78 0.66) = 83.049% kept HA ALA 34 - HN SER 85 16.667% * 13.0509% (0.24 0.49 0.02) = 13.051% kept HA GLU- 114 - HN SER 85 16.667% * 1.3893% (0.63 0.02 0.02) = 1.389% kept HA CYS 53 - HN SER 85 16.667% * 1.0720% (0.49 0.02 0.02) = 1.072% kept HA1 GLY 101 - HN SER 85 16.667% * 0.9708% (0.44 0.02 0.02) = 0.971% HA ILE 19 - HN SER 85 16.667% * 0.4680% (0.21 0.02 0.02) = 0.468% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 486 (8.05, 8.31, 124.24 ppm): 2 chemical-shift based assignments, quality = 0.982, support = 3.19, residual support = 9.34: T HN SER 85 - HN ASP- 86 50.000% * 96.8935% (0.99 10.00 3.27 9.64) = 96.893% kept HN GLN 32 - HN ASP- 86 50.000% * 3.1065% (0.81 1.00 0.78 0.11) = 3.107% kept Peak 487 (7.69, 8.31, 124.24 ppm): 4 chemical-shift based assignments, quality = 0.784, support = 3.59, residual support = 15.3: HN TRP 87 - HN ASP- 86 25.000% * 81.4668% (0.92 3.57 15.44) = 81.467% kept HE3 TRP 87 - HN ASP- 86 25.000% * 17.6007% (0.18 3.87 15.44) = 17.601% kept HN GLN 17 - HN ASP- 86 25.000% * 0.4924% (1.00 0.02 0.02) = 0.492% HD21 ASN 69 - HN ASP- 86 25.000% * 0.4402% (0.89 0.02 0.02) = 0.440% Peak 488 (4.31, 8.31, 124.24 ppm): 5 chemical-shift based assignments, quality = 0.787, support = 3.94, residual support = 35.8: O HA ASP- 86 - HN ASP- 86 20.000% * 95.9138% (0.81 10.0 3.95 36.70) = 95.914% kept HA TRP 87 - HN ASP- 86 20.000% * 3.7786% (0.16 1.0 4.06 15.44) = 3.779% kept HA LEU 104 - HN ASP- 86 20.000% * 0.1118% (0.95 1.0 0.02 0.02) = 0.112% HA GLU- 14 - HN ASP- 86 20.000% * 0.1049% (0.89 1.0 0.02 0.02) = 0.105% HA ALA 12 - HN ASP- 86 20.000% * 0.0908% (0.77 1.0 0.02 0.02) = 0.091% Peak 489 (8.31, 7.69, 117.92 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 2.96, residual support = 12.2: HN ASP- 86 - HN TRP 87 16.667% * 78.9106% (1.00 3.57 15.44) = 78.911% kept HN GLU- 29 - HN TRP 87 16.667% * 12.3292% (0.63 0.88 0.52) = 12.329% kept HN GLN 30 - HN TRP 87 16.667% * 8.3949% (1.00 0.38 0.02) = 8.395% kept HN GLU- 14 - HN TRP 87 16.667% * 0.1757% (0.40 0.02 0.13) = 0.176% HE1 HIS 122 - HN TRP 87 16.667% * 0.1080% (0.24 0.02 0.02) = 0.108% HN LYS+ 99 - HN TRP 87 16.667% * 0.0815% (0.18 0.02 0.02) = 0.082% Peak 490 (4.33, 7.69, 117.92 ppm): 4 chemical-shift based assignments, quality = 0.854, support = 3.85, residual support = 63.5: O HA TRP 87 - HN TRP 87 25.000% * 99.8820% (0.85 10.0 3.85 63.60) = 99.882% kept HA LEU 104 - HN TRP 87 25.000% * 0.0680% (0.58 1.0 0.02 0.02) = 0.068% HA PHE 59 - HN TRP 87 25.000% * 0.0285% (0.24 1.0 0.02 0.11) = 0.028% HA GLU- 14 - HN TRP 87 25.000% * 0.0215% (0.18 1.0 0.02 0.13) = 0.021% Peak 491 (7.73, 10.56, 128.74 ppm): 6 chemical-shift based assignments, quality = 0.445, support = 1.57, residual support = 52.9: O HD1 TRP 87 - HE1 TRP 87 16.667% * 47.9870% (0.16 10.0 1.36 63.60) = 47.987% kept HE3 TRP 87 - HE1 TRP 87 16.667% * 34.2584% (0.63 1.0 2.44 63.60) = 34.258% kept HN TRP 27 - HE1 TRP 87 16.667% * 10.9112% (0.85 1.0 0.57 5.71) = 10.911% kept HN ALA 61 - HE1 TRP 87 16.667% * 6.3212% (0.95 1.0 0.30 0.21) = 6.321% kept HN ALA 91 - HE1 TRP 87 16.667% * 0.4402% (0.99 1.0 0.02 0.02) = 0.440% HN THR 39 - HE1 TRP 87 16.667% * 0.0820% (0.18 1.0 0.02 0.02) = 0.082% Peak 492 (6.74, 10.56, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.0, residual support = 5.71: HZ2 TRP 27 - HE1 TRP 87 100.000% *100.0000% (0.73 2.00 5.71) = 100.000% kept Peak 493 (4.31, 7.82, 121.71 ppm): 5 chemical-shift based assignments, quality = 0.193, support = 2.64, residual support = 3.83: O HA TRP 87 - HN ALA 88 20.000% * 92.8040% (0.16 10.0 2.83 4.13) = 92.804% kept HA ASP- 86 - HN ALA 88 20.000% * 5.6643% (0.81 1.0 0.24 0.02) = 5.664% kept HA LEU 104 - HN ALA 88 20.000% * 0.5570% (0.95 1.0 0.02 0.02) = 0.557% HA GLU- 14 - HN ALA 88 20.000% * 0.5224% (0.89 1.0 0.02 0.02) = 0.522% HA ALA 12 - HN ALA 88 20.000% * 0.4524% (0.77 1.0 0.02 0.02) = 0.452% Not enough quality. Peak unassigned. Peak 494 (4.32, 7.91, 118.70 ppm): 5 chemical-shift based assignments, quality = 0.486, support = 0.612, residual support = 9.87: HA TRP 87 - HN ILE 89 20.000% * 75.3631% (0.49 0.76 13.09) = 75.363% kept HA ASP- 86 - HN ILE 89 20.000% * 17.4473% (0.40 0.22 0.02) = 17.447% kept HA LEU 104 - HN ILE 89 20.000% * 3.7614% (0.92 0.02 0.02) = 3.761% kept HA GLU- 14 - HN ILE 89 20.000% * 1.9834% (0.49 0.02 0.02) = 1.983% kept HA ALA 12 - HN ILE 89 20.000% * 1.4448% (0.35 0.02 0.02) = 1.445% kept Peak 495 (7.72, 8.62, 127.39 ppm): 4 chemical-shift based assignments, quality = 0.865, support = 5.56, residual support = 18.6: HN ALA 91 - HN GLN 90 25.000% * 83.4684% (0.89 6.52 22.21) = 83.468% kept HN TRP 27 - HN GLN 90 25.000% * 7.7144% (0.49 1.10 0.85) = 7.714% kept HN ALA 61 - HN GLN 90 25.000% * 4.4804% (0.95 0.33 0.02) = 4.480% kept HE3 TRP 87 - HN GLN 90 25.000% * 4.3369% (0.95 0.32 0.02) = 4.337% kept Peak 496 (4.48, 8.62, 127.39 ppm): 5 chemical-shift based assignments, quality = 0.453, support = 4.33, residual support = 51.5: O HA GLN 90 - HN GLN 90 20.000% * 57.2979% (0.21 10.0 5.28 75.42) = 57.298% kept HA ALA 91 - HN GLN 90 20.000% * 37.3270% (0.81 1.0 3.40 22.21) = 37.327% kept HA TRP 27 - HN GLN 90 20.000% * 5.0340% (0.53 1.0 0.70 0.85) = 5.034% kept HA VAL 107 - HN GLN 90 20.000% * 0.2562% (0.95 1.0 0.02 0.02) = 0.256% HA ALA 110 - HN GLN 90 20.000% * 0.0849% (0.31 1.0 0.02 0.02) = 0.085% Peak 497 (6.79, 7.39, 112.01 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 0.991, residual support = 74.8: O T HE22 GLN 90 - HE21 GLN 90 33.333% * 99.1109% (0.89 10.0 10.00 1.00 75.42) = 99.111% kept T HE22 GLN 32 - HE21 GLN 90 33.333% * 0.8582% (0.77 1.0 10.00 0.02 0.02) = 0.858% HE22 GLN 17 - HE21 GLN 90 33.333% * 0.0309% (0.28 1.0 1.00 0.02 0.02) = 0.031% Peak 498 (7.38, 6.80, 112.00 ppm): 4 chemical-shift based assignments, quality = 0.675, support = 0.995, residual support = 75.1: O T HE21 GLN 90 - HE22 GLN 90 25.000% * 99.5135% (0.68 10.0 10.00 1.00 75.42) = 99.514% kept T HE21 GLN 90 - HE22 GLN 32 25.000% * 0.3784% (0.26 1.0 10.00 0.02 0.02) = 0.378% HD21 ASN 35 - HE22 GLN 90 25.000% * 0.0783% (0.53 1.0 1.00 0.02 0.02) = 0.078% HD21 ASN 35 - HE22 GLN 32 25.000% * 0.0298% (0.20 1.0 1.00 0.02 0.02) = 0.030% Peak 499 (8.62, 7.72, 122.85 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 6.17, residual support = 20.8: T HN GLN 90 - HN ALA 91 16.667% * 93.6374% (0.92 10.00 6.52 22.21) = 93.637% kept T HN GLN 90 - HN TRP 27 16.667% * 5.8965% (0.11 10.00 1.10 0.85) = 5.896% kept HN ILE 103 - HN ALA 91 16.667% * 0.4098% (1.00 1.00 0.08 0.02) = 0.410% HN GLY 109 - HN ALA 91 16.667% * 0.0402% (0.40 1.00 0.02 0.02) = 0.040% HN ILE 103 - HN TRP 27 16.667% * 0.0116% (0.11 1.00 0.02 0.02) = 0.012% HN GLY 109 - HN TRP 27 16.667% * 0.0046% (0.05 1.00 0.02 0.02) = 0.005% Peak 500 (5.58, 7.72, 122.85 ppm): 2 chemical-shift based assignments, quality = 0.176, support = 0.418, residual support = 1.58: HA LEU 73 - HN TRP 27 50.000% * 75.6997% (0.06 0.55 2.08) = 75.700% kept HA LEU 73 - HN ALA 91 50.000% * 24.3003% (0.53 0.02 0.02) = 24.300% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 501 (4.49, 7.72, 122.85 ppm): 8 chemical-shift based assignments, quality = 0.909, support = 2.49, residual support = 18.3: O HA ALA 91 - HN ALA 91 12.500% * 90.1574% (1.00 10.0 2.25 10.82) = 90.157% kept O HA TRP 27 - HN TRP 27 12.500% * 9.5309% (0.11 10.0 4.85 89.43) = 9.531% kept HA ALA 91 - HN TRP 27 12.500% * 0.1138% (0.11 1.0 0.22 0.02) = 0.114% HA TRP 27 - HN ALA 91 12.500% * 0.0835% (0.92 1.0 0.02 0.02) = 0.083% HA VAL 107 - HN ALA 91 12.500% * 0.0835% (0.92 1.0 0.02 0.02) = 0.083% HA PRO 52 - HN ALA 91 12.500% * 0.0192% (0.21 1.0 0.02 0.02) = 0.019% HA VAL 107 - HN TRP 27 12.500% * 0.0095% (0.11 1.0 0.02 0.33) = 0.010% HA PRO 52 - HN TRP 27 12.500% * 0.0022% (0.02 1.0 0.02 0.02) = 0.002% Peak 503 (4.88, 8.46, 118.59 ppm): 3 chemical-shift based assignments, quality = 0.585, support = 0.0802, residual support = 0.0658: HA PHE 45 - HN MET 92 33.333% * 40.0420% (0.14 0.17 0.13) = 40.042% kept HA HIS 122 - HN MET 92 33.333% * 34.7351% (1.00 0.02 0.02) = 34.735% kept HA VAL 41 - HN MET 92 33.333% * 25.2229% (0.73 0.02 0.02) = 25.223% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 504 (4.50, 8.46, 118.59 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 2.61, residual support = 6.87: O HA ALA 91 - HN MET 92 25.000% * 99.7162% (0.73 10.0 2.62 6.89) = 99.716% kept HA TRP 27 - HN MET 92 25.000% * 0.1305% (0.95 1.0 0.02 0.02) = 0.130% HA PRO 52 - HN MET 92 25.000% * 0.0800% (0.58 1.0 0.02 0.02) = 0.080% HA VAL 107 - HN MET 92 25.000% * 0.0733% (0.53 1.0 0.02 0.02) = 0.073% Peak 505 (8.75, 8.03, 115.19 ppm): 2 chemical-shift based assignments, quality = 0.928, support = 3.32, residual support = 17.7: T HN PHE 45 - HN THR 94 50.000% * 93.2589% (0.92 10.00 3.46 18.92) = 93.259% kept HN ALA 110 - HN THR 94 50.000% * 6.7411% (1.00 1.00 1.34 0.78) = 6.741% kept Peak 506 (5.60, 8.03, 115.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 507 (5.04, 8.03, 115.19 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 508 (4.91, 8.03, 115.19 ppm): 2 chemical-shift based assignments, quality = 0.988, support = 0.563, residual support = 0.553: HA MET 92 - HN THR 94 50.000% * 98.3208% (1.00 0.57 0.56) = 98.321% kept HA LYS+ 74 - HN THR 94 50.000% * 1.6792% (0.49 0.02 0.02) = 1.679% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 509 (9.56, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 1.98, residual support = 28.9: HN VAL 107 - HN PHE 95 50.000% * 99.0707% (0.95 2.00 29.22) = 99.071% kept HN GLY 51 - HN PHE 95 50.000% * 0.9293% (0.89 0.02 0.02) = 0.929% Peak 510 (7.01, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.811, support = 3.81, residual support = 69.1: QD PHE 95 - HN PHE 95 50.000% * 99.4804% (0.81 3.83 69.47) = 99.480% kept HN ALA 47 - HN PHE 95 50.000% * 0.5196% (0.81 0.02 1.20) = 0.520% Peak 511 (5.96, 9.87, 125.46 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.3, residual support = 69.5: O HA PHE 95 - HN PHE 95 100.000% *100.0000% (1.00 10.0 4.30 69.47) = 100.000% kept Peak 512 (4.94, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.533, support = 3.15, residual support = 12.6: O HA THR 94 - HN PHE 95 50.000% * 99.8730% (0.53 10.0 3.15 12.63) = 99.873% kept HA LYS+ 74 - HN PHE 95 50.000% * 0.1270% (0.68 1.0 0.02 0.02) = 0.127% Peak 513 (5.96, 9.32, 123.66 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.29, residual support = 9.95: O HA PHE 95 - HN MET 96 100.000% *100.0000% (0.92 10.0 3.29 9.95) = 100.000% kept Peak 514 (5.31, 9.32, 123.66 ppm): 1 chemical-shift based assignment, quality = 0.911, support = 3.74, residual support = 105.1: O HA MET 96 - HN MET 96 100.000% *100.0000% (0.91 10.0 3.74 105.06) = 100.000% kept Peak 515 (7.80, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 4.94, residual support = 46.1: T HN ASP- 105 - HN PHE 97 100.000% *100.0000% (1.00 10.00 4.94 46.07) = 100.000% kept Peak 516 (7.12, 8.40, 123.79 ppm): 3 chemical-shift based assignments, quality = 0.718, support = 3.6, residual support = 55.3: QD PHE 97 - HN PHE 97 33.333% * 98.8488% (0.73 3.64 55.98) = 98.849% kept HZ3 TRP 87 - HN PHE 97 33.333% * 0.6087% (0.81 0.02 0.02) = 0.609% HE3 TRP 49 - HN PHE 97 33.333% * 0.5425% (0.73 0.02 0.02) = 0.542% Peak 517 (5.62, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.23, residual support = 11.0: HA LYS+ 106 - HN PHE 97 100.000% *100.0000% (0.97 3.23 10.98) = 100.000% kept Peak 518 (5.31, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 5.47, residual support = 28.1: O HA MET 96 - HN PHE 97 100.000% *100.0000% (0.99 10.0 5.47 28.07) = 100.000% kept Peak 519 (9.01, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 4.59, residual support = 14.8: T HN VAL 41 - HN LEU 98 100.000% *100.0000% (0.58 10.00 4.59 14.79) = 100.000% kept Peak 520 (5.50, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.58, residual support = 66.5: O HA LEU 98 - HN LEU 98 100.000% *100.0000% (0.73 10.0 4.58 66.48) = 100.000% kept Peak 521 (5.36, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.16, residual support = 9.57: O HA PHE 97 - HN LEU 98 100.000% *100.0000% (0.97 10.0 3.16 9.57) = 100.000% kept Peak 522 (4.42, 9.69, 125.68 ppm): 8 chemical-shift based assignments, quality = 0.456, support = 1.28, residual support = 4.11: HA LEU 40 - HN LEU 98 12.500% * 62.4299% (0.40 1.76 6.55) = 62.430% kept HA VAL 42 - HN LEU 98 12.500% * 21.7706% (0.31 0.77 0.11) = 21.771% kept HA GLN 17 - HN LEU 98 12.500% * 9.0244% (0.95 0.11 0.02) = 9.024% kept HA THR 46 - HN LEU 98 12.500% * 1.7690% (0.99 0.02 0.02) = 1.769% kept HA SER 37 - HN LEU 98 12.500% * 1.7024% (0.95 0.02 0.02) = 1.702% kept HA SER 13 - HN LEU 98 12.500% * 1.1302% (0.63 0.02 0.02) = 1.130% kept HA GLU- 15 - HN LEU 98 12.500% * 1.1302% (0.63 0.02 0.02) = 1.130% kept HA PRO 58 - HN LEU 98 12.500% * 1.0433% (0.58 0.02 0.02) = 1.043% kept Peak 523 (7.77, 8.33, 118.17 ppm): 8 chemical-shift based assignments, quality = 0.505, support = 0.0626, residual support = 0.134: HD1 TRP 87 - HN LYS+ 99 12.500% * 32.6655% (0.28 0.08 0.02) = 32.665% kept HN LYS+ 102 - HN LYS+ 99 12.500% * 26.3536% (0.92 0.02 0.45) = 26.354% kept HN GLU- 36 - HN LYS+ 99 12.500% * 20.7304% (0.73 0.02 0.02) = 20.730% kept HN GLU- 36 - HN GLN 30 12.500% * 7.9327% (0.03 0.19 0.02) = 7.933% kept HN THR 39 - HN LYS+ 99 12.500% * 6.9616% (0.24 0.02 0.02) = 6.962% kept HD1 TRP 87 - HN GLN 30 12.500% * 3.9927% (0.01 0.25 0.02) = 3.993% kept HN LYS+ 102 - HN GLN 30 12.500% * 1.0786% (0.04 0.02 0.02) = 1.079% kept HN THR 39 - HN GLN 30 12.500% * 0.2849% (0.01 0.02 0.02) = 0.285% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 524 (5.51, 8.33, 118.17 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 3.95, residual support = 14.8: O HA LEU 98 - HN LYS+ 99 50.000% * 99.9959% (0.99 10.0 3.95 14.84) = 99.996% kept HA LEU 98 - HN GLN 30 50.000% * 0.0041% (0.04 1.0 0.02 0.99) = 0.004% Peak 525 (4.37, 8.33, 118.17 ppm): 12 chemical-shift based assignments, quality = 0.734, support = 4.46, residual support = 135.7: O HA LYS+ 99 - HN LYS+ 99 8.333% * 94.5233% (0.73 10.0 4.68 143.60) = 94.523% kept HA ASP- 113 - HN LYS+ 99 8.333% * 4.2761% (1.00 1.0 0.66 0.02) = 4.276% kept HA ASN 35 - HN LYS+ 99 8.333% * 1.0086% (0.53 1.0 0.29 0.02) = 1.009% kept HA PHE 59 - HN LYS+ 99 8.333% * 0.0634% (0.49 1.0 0.02 1.24) = 0.063% HA ILE 56 - HN LYS+ 99 8.333% * 0.0634% (0.49 1.0 0.02 0.02) = 0.063% HA LEU 123 - HN LYS+ 99 8.333% * 0.0462% (0.35 1.0 0.02 0.02) = 0.046% HA ASP- 113 - HN GLN 30 8.333% * 0.0053% (0.04 1.0 0.02 0.02) = 0.005% HA LYS+ 99 - HN GLN 30 8.333% * 0.0039% (0.03 1.0 0.02 0.02) = 0.004% HA ASN 35 - HN GLN 30 8.333% * 0.0028% (0.02 1.0 0.02 0.02) = 0.003% HA PHE 59 - HN GLN 30 8.333% * 0.0026% (0.02 1.0 0.02 0.02) = 0.003% HA ILE 56 - HN GLN 30 8.333% * 0.0026% (0.02 1.0 0.02 0.97) = 0.003% HA LEU 123 - HN GLN 30 8.333% * 0.0019% (0.01 1.0 0.02 3.49) = 0.002% Peak 526 (8.85, 10.11, 128.03 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 3.48, residual support = 14.3: T HN GLY 101 - HN GLU- 100 100.000% *100.0000% (1.00 10.00 3.48 14.27) = 100.000% kept Peak 527 (4.37, 10.11, 128.03 ppm): 6 chemical-shift based assignments, quality = 0.975, support = 6.3, residual support = 26.1: O HA LYS+ 99 - HN GLU- 100 16.667% * 96.9072% (0.99 10.0 6.49 26.98) = 96.907% kept HA ASN 35 - HN GLU- 100 16.667% * 2.0451% (0.89 1.0 0.47 0.02) = 2.045% kept HA ASP- 113 - HN GLU- 100 16.667% * 0.8745% (0.85 1.0 0.21 0.02) = 0.874% HA ILE 56 - HN GLU- 100 16.667% * 0.0839% (0.85 1.0 0.02 0.02) = 0.084% HA LEU 123 - HN GLU- 100 16.667% * 0.0713% (0.73 1.0 0.02 0.02) = 0.071% HA PHE 59 - HN GLU- 100 16.667% * 0.0181% (0.18 1.0 0.02 0.02) = 0.018% Peak 529 (7.77, 8.85, 104.25 ppm): 4 chemical-shift based assignments, quality = 0.883, support = 2.48, residual support = 9.01: HN LYS+ 102 - HN GLY 101 25.000% * 88.0441% (0.92 2.77 10.23) = 88.044% kept HN GLU- 36 - HN GLY 101 25.000% * 8.2689% (0.73 0.33 0.02) = 8.269% kept HD1 TRP 87 - HN GLY 101 25.000% * 3.5190% (0.28 0.37 0.02) = 3.519% kept HN THR 39 - HN GLY 101 25.000% * 0.1680% (0.24 0.02 0.02) = 0.168% Peak 530 (8.33, 7.76, 120.90 ppm): 3 chemical-shift based assignments, quality = 0.841, support = 0.0542, residual support = 0.107: HN GLU- 14 - HN LYS+ 102 33.333% * 60.8191% (0.77 0.08 0.02) = 60.819% kept HN LYS+ 99 - HN LYS+ 102 33.333% * 20.0919% (0.97 0.02 0.45) = 20.092% kept HE1 HIS 122 - HN LYS+ 102 33.333% * 19.0891% (0.92 0.02 0.02) = 19.089% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 531 (8.85, 7.76, 120.90 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 2.77, residual support = 10.2: T HN GLY 101 - HN LYS+ 102 100.000% *100.0000% (1.00 10.00 2.77 10.23) = 100.000% kept Peak 532 (10.10, 8.85, 104.25 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.48, residual support = 14.3: T HN GLU- 100 - HN GLY 101 100.000% *100.0000% (0.73 10.00 3.48 14.27) = 100.000% kept Peak 533 (4.37, 8.85, 104.25 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 1.36, residual support = 1.03: HA LYS+ 99 - HN GLY 101 16.667% * 83.4356% (0.99 1.58 1.23) = 83.436% kept HA ASN 35 - HN GLY 101 16.667% * 13.7686% (0.89 0.29 0.02) = 13.769% kept HA ASP- 113 - HN GLY 101 16.667% * 0.9123% (0.85 0.02 0.02) = 0.912% HA ILE 56 - HN GLY 101 16.667% * 0.9123% (0.85 0.02 0.02) = 0.912% HA LEU 123 - HN GLY 101 16.667% * 0.7749% (0.73 0.02 0.02) = 0.775% HA PHE 59 - HN GLY 101 16.667% * 0.1964% (0.18 0.02 0.02) = 0.196% Peak 534 (4.14, 8.85, 104.25 ppm): 7 chemical-shift based assignments, quality = 0.993, support = 2.85, residual support = 11.8: O HA1 GLY 101 - HN GLY 101 14.286% * 99.5826% (1.00 10.0 2.86 11.83) = 99.583% kept HA ALA 34 - HN GLY 101 14.286% * 0.0949% (0.95 1.0 0.02 0.02) = 0.095% HA GLU- 114 - HN GLY 101 14.286% * 0.0922% (0.92 1.0 0.02 0.02) = 0.092% HA LEU 115 - HN GLY 101 14.286% * 0.0814% (0.81 1.0 0.02 0.02) = 0.081% HA ASN 28 - HN GLY 101 14.286% * 0.0771% (0.77 1.0 0.02 0.02) = 0.077% HA THR 26 - HN GLY 101 14.286% * 0.0534% (0.53 1.0 0.02 0.02) = 0.053% HA ARG+ 54 - HN GLY 101 14.286% * 0.0184% (0.18 1.0 0.02 0.02) = 0.018% Peak 535 (9.36, 8.62, 122.05 ppm): 2 chemical-shift based assignments, quality = 0.453, support = 4.97, residual support = 28.5: HN LEU 104 - HN ILE 103 50.000% * 84.0570% (0.35 5.83 33.92) = 84.057% kept HN PHE 72 - HN ILE 103 50.000% * 15.9430% (0.97 0.40 0.11) = 15.943% kept Peak 536 (4.60, 8.62, 122.05 ppm): 6 chemical-shift based assignments, quality = 0.941, support = 5.29, residual support = 21.4: O HA LYS+ 102 - HN ILE 103 16.667% * 98.7841% (0.95 10.0 5.34 21.70) = 98.784% kept HA ALA 20 - HN ILE 103 16.667% * 1.0772% (0.18 1.0 1.13 0.02) = 1.077% kept HA CYS 21 - HN ILE 103 16.667% * 0.0605% (0.58 1.0 0.02 0.58) = 0.061% HA TRP 49 - HN ILE 103 16.667% * 0.0369% (0.35 1.0 0.02 1.14) = 0.037% HA1 GLY 109 - HN ILE 103 16.667% * 0.0221% (0.21 1.0 0.02 0.02) = 0.022% HA CYS 50 - HN ILE 103 16.667% * 0.0191% (0.18 1.0 0.02 0.02) = 0.019% Peak 537 (4.28, 8.62, 122.05 ppm): 9 chemical-shift based assignments, quality = 0.962, support = 6.71, residual support = 121.1: O HA ILE 103 - HN ILE 103 11.111% * 99.0557% (0.97 10.0 6.78 122.30) = 99.056% kept HA GLU- 79 - HN ILE 103 11.111% * 0.4296% (0.85 1.0 0.10 0.02) = 0.430% HB THR 77 - HN ILE 103 11.111% * 0.0909% (0.89 1.0 0.02 0.02) = 0.091% HA SER 85 - HN ILE 103 11.111% * 0.0909% (0.89 1.0 0.02 0.02) = 0.091% HA ASP- 44 - HN ILE 103 11.111% * 0.0831% (0.81 1.0 0.02 0.02) = 0.083% HA THR 39 - HN ILE 103 11.111% * 0.0787% (0.77 1.0 0.02 0.02) = 0.079% HA MET 11 - HN ILE 103 11.111% * 0.0787% (0.77 1.0 0.02 0.02) = 0.079% HA1 GLY 51 - HN ILE 103 11.111% * 0.0643% (0.63 1.0 0.02 0.02) = 0.064% HA ALA 57 - HN ILE 103 11.111% * 0.0283% (0.28 1.0 0.02 0.02) = 0.028% Peak 538 (7.80, 9.38, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 5.78, residual support = 22.3: T HN ASP- 105 - HN LEU 104 100.000% *100.0000% (1.00 10.00 5.78 22.25) = 100.000% kept Peak 539 (5.50, 9.38, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.18, residual support = 10.4: HA LEU 98 - HN LEU 104 100.000% *100.0000% (0.73 3.18 10.38) = 100.000% kept Peak 540 (4.29, 9.38, 128.74 ppm): 11 chemical-shift based assignments, quality = 0.917, support = 5.38, residual support = 33.7: O HA ILE 103 - HN LEU 104 9.091% * 99.3493% (0.92 10.0 5.42 33.92) = 99.349% kept HA ASP- 44 - HN LEU 104 9.091% * 0.1076% (1.00 1.0 0.02 0.02) = 0.108% HA MET 11 - HN LEU 104 9.091% * 0.1073% (1.00 1.0 0.02 0.02) = 0.107% HA SER 85 - HN LEU 104 9.091% * 0.1063% (0.99 1.0 0.02 0.02) = 0.106% HB THR 77 - HN LEU 104 9.091% * 0.1063% (0.99 1.0 0.02 0.02) = 0.106% HA GLU- 79 - HN LEU 104 9.091% * 0.0524% (0.49 1.0 0.02 0.02) = 0.052% HA THR 39 - HN LEU 104 9.091% * 0.0427% (0.40 1.0 0.02 0.02) = 0.043% HA ALA 12 - HN LEU 104 9.091% * 0.0382% (0.35 1.0 0.02 0.02) = 0.038% HA ASP- 86 - HN LEU 104 9.091% * 0.0339% (0.31 1.0 0.02 0.02) = 0.034% HA1 GLY 51 - HN LEU 104 9.091% * 0.0299% (0.28 1.0 0.02 0.02) = 0.030% HA GLU- 14 - HN LEU 104 9.091% * 0.0262% (0.24 1.0 0.02 0.02) = 0.026% Peak 541 (8.39, 7.80, 116.22 ppm): 4 chemical-shift based assignments, quality = 0.625, support = 4.89, residual support = 45.7: T HN PHE 97 - HN ASP- 105 25.000% * 99.0868% (0.63 10.00 4.94 46.07) = 99.087% kept HN LEU 115 - HN ASP- 105 25.000% * 0.7892% (0.63 1.00 0.16 0.02) = 0.789% HN ALA 12 - HN ASP- 105 25.000% * 0.0991% (0.63 1.00 0.02 0.02) = 0.099% HN ASN 35 - HN ASP- 105 25.000% * 0.0249% (0.16 1.00 0.02 0.02) = 0.025% Peak 542 (9.39, 7.80, 116.22 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 5.78, residual support = 22.3: T HN LEU 104 - HN ASP- 105 100.000% *100.0000% (0.81 10.00 5.78 22.25) = 100.000% kept Peak 543 (5.63, 8.97, 118.18 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.37, residual support = 100.0: O HA LYS+ 106 - HN LYS+ 106 100.000% *100.0000% (0.92 10.0 4.37 99.98) = 100.000% kept Peak 544 (4.80, 8.97, 118.18 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 2.72, residual support = 16.9: O HA ASP- 105 - HN LYS+ 106 20.000% * 99.7101% (0.89 10.0 2.72 16.97) = 99.710% kept HB THR 23 - HN LYS+ 106 20.000% * 0.1115% (1.00 1.0 0.02 0.02) = 0.112% HA LEU 80 - HN LYS+ 106 20.000% * 0.1033% (0.92 1.0 0.02 0.02) = 0.103% HA THR 23 - HN LYS+ 106 20.000% * 0.0545% (0.49 1.0 0.02 0.02) = 0.054% HA ASP- 78 - HN LYS+ 106 20.000% * 0.0206% (0.18 1.0 0.02 0.02) = 0.021% Peak 545 (4.80, 7.80, 116.22 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 3.89, residual support = 34.4: O HA ASP- 105 - HN ASP- 105 20.000% * 99.7101% (0.89 10.0 3.90 34.51) = 99.710% kept HB THR 23 - HN ASP- 105 20.000% * 0.1115% (1.00 1.0 0.02 0.02) = 0.112% HA LEU 80 - HN ASP- 105 20.000% * 0.1033% (0.92 1.0 0.02 0.02) = 0.103% HA THR 23 - HN ASP- 105 20.000% * 0.0545% (0.49 1.0 0.02 0.02) = 0.054% HA ASP- 78 - HN ASP- 105 20.000% * 0.0206% (0.18 1.0 0.02 0.02) = 0.021% Peak 546 (4.29, 7.80, 116.22 ppm): 10 chemical-shift based assignments, quality = 0.293, support = 4.55, residual support = 16.6: O HA LEU 104 - HN ASP- 105 10.000% * 73.1387% (0.21 10.0 5.34 22.25) = 73.139% kept HA ILE 103 - HN ASP- 105 10.000% * 24.2498% (0.53 1.0 2.64 1.31) = 24.250% kept HA ASP- 86 - HN ASP- 105 10.000% * 1.0609% (0.73 1.0 0.08 0.02) = 1.061% kept HA MET 11 - HN ASP- 105 10.000% * 0.2804% (0.81 1.0 0.02 0.02) = 0.280% HA ALA 12 - HN ASP- 105 10.000% * 0.2656% (0.77 1.0 0.02 0.02) = 0.266% HA ASP- 44 - HN ASP- 105 10.000% * 0.2656% (0.77 1.0 0.02 0.02) = 0.266% HA SER 85 - HN ASP- 105 10.000% * 0.2337% (0.68 1.0 0.02 0.02) = 0.234% HB THR 77 - HN ASP- 105 10.000% * 0.2337% (0.68 1.0 0.02 0.02) = 0.234% HA GLU- 14 - HN ASP- 105 10.000% * 0.2171% (0.63 1.0 0.02 0.02) = 0.217% HA GLU- 79 - HN ASP- 105 10.000% * 0.0545% (0.16 1.0 0.02 0.02) = 0.054% Peak 547 (7.14, 9.57, 125.50 ppm): 2 chemical-shift based assignments, quality = 0.792, support = 1.07, residual support = 2.1: QD PHE 97 - HN VAL 107 50.000% * 74.7575% (0.81 1.27 2.67) = 74.757% kept HZ3 TRP 87 - HN VAL 107 50.000% * 25.2425% (0.73 0.48 0.40) = 25.243% kept Peak 548 (5.62, 9.57, 125.50 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.8, residual support = 21.1: O HA LYS+ 106 - HN VAL 107 100.000% *100.0000% (0.97 10.0 3.80 21.07) = 100.000% kept Peak 549 (4.49, 9.57, 125.50 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 3.61, residual support = 50.3: O HA VAL 107 - HN VAL 107 25.000% * 99.7695% (0.92 10.0 3.62 50.44) = 99.770% kept HA ALA 91 - HN VAL 107 25.000% * 0.1077% (1.00 1.0 0.02 0.02) = 0.108% HA TRP 27 - HN VAL 107 25.000% * 0.0998% (0.92 1.0 0.02 0.33) = 0.100% HA PRO 52 - HN VAL 107 25.000% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% Peak 550 (7.14, 7.80, 116.22 ppm): 2 chemical-shift based assignments, quality = 0.807, support = 4.91, residual support = 41.8: QD PHE 97 - HN ASP- 105 50.000% * 90.7225% (0.81 5.35 46.07) = 90.722% kept HZ3 TRP 87 - HN ASP- 105 50.000% * 9.2775% (0.73 0.61 0.11) = 9.278% kept Peak 551 (4.93, 8.60, 114.88 ppm): 3 chemical-shift based assignments, quality = 0.723, support = 0.739, residual support = 1.15: HA LYS+ 74 - HN GLY 109 33.333% * 98.5729% (0.73 0.75 1.16) = 98.573% kept HA MET 92 - HN GLY 109 33.333% * 0.8522% (0.24 0.02 0.02) = 0.852% HA THR 94 - HN GLY 109 33.333% * 0.5749% (0.16 0.02 0.02) = 0.575% Peak 552 (4.58, 8.60, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.577, support = 1.92, residual support = 7.45: O HA1 GLY 109 - HN GLY 109 14.286% * 70.8391% (0.72 10.0 1.63 9.01) = 70.839% kept O HA VAL 108 - HN GLY 109 14.286% * 28.8838% (0.24 10.0 2.64 3.70) = 28.884% kept HA CYS 50 - HN GLY 109 14.286% * 0.0891% (0.73 1.0 0.02 0.02) = 0.089% HA TRP 49 - HN GLY 109 14.286% * 0.0747% (0.62 1.0 0.02 0.02) = 0.075% HA CYS 21 - HN GLY 109 14.286% * 0.0534% (0.44 1.0 0.02 0.02) = 0.053% HA ALA 47 - HN GLY 109 14.286% * 0.0404% (0.33 1.0 0.02 0.02) = 0.040% HA LYS+ 102 - HN GLY 109 14.286% * 0.0195% (0.16 1.0 0.02 0.02) = 0.019% Peak 553 (7.59, 8.75, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 2.49, residual support = 6.43: T HN LYS+ 111 - HN ALA 110 16.667% * 98.2019% (0.85 10.00 2.54 6.55) = 98.202% kept HN LEU 63 - HN ALA 110 16.667% * 1.0542% (0.89 1.00 0.21 0.02) = 1.054% kept HN ILE 56 - HN ALA 110 16.667% * 0.5838% (0.97 1.00 0.10 0.79) = 0.584% HN ALA 84 - HN ALA 110 16.667% * 0.0982% (0.85 1.00 0.02 0.02) = 0.098% HE21 GLN 32 - HN ALA 110 16.667% * 0.0407% (0.35 1.00 0.02 0.02) = 0.041% HD21 ASN 28 - HN ALA 110 16.667% * 0.0211% (0.18 1.00 0.02 0.02) = 0.021% Peak 554 (4.57, 8.75, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.59, support = 1.7, residual support = 4.97: O HA1 GLY 109 - HN ALA 110 16.667% * 92.6851% (0.58 10.0 1.76 5.36) = 92.685% kept HA VAL 108 - HN ALA 110 16.667% * 6.9354% (0.73 1.0 1.05 0.02) = 6.935% kept HA ALA 47 - HN ALA 110 16.667% * 0.1549% (0.85 1.0 0.02 0.02) = 0.155% HA CYS 50 - HN ALA 110 16.667% * 0.1143% (0.63 1.0 0.02 0.02) = 0.114% HA TRP 49 - HN ALA 110 16.667% * 0.0719% (0.40 1.0 0.02 0.02) = 0.072% HA CYS 21 - HN ALA 110 16.667% * 0.0385% (0.21 1.0 0.02 0.02) = 0.038% Peak 555 (4.49, 8.75, 122.21 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 0.02, residual support = 0.02: HA ALA 91 - HN ALA 110 25.000% * 32.6229% (1.00 0.02 0.02) = 32.623% kept HA VAL 107 - HN ALA 110 25.000% * 30.2112% (0.92 0.02 0.02) = 30.211% kept HA TRP 27 - HN ALA 110 25.000% * 30.2112% (0.92 0.02 0.02) = 30.211% kept HA PRO 52 - HN ALA 110 25.000% * 6.9547% (0.21 0.02 0.02) = 6.955% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 556 (8.49, 7.58, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 4.65, residual support = 25.7: T HN LYS+ 112 - HN LYS+ 111 33.333% * 99.8689% (0.99 10.00 4.66 25.68) = 99.869% kept HN MET 11 - HN LYS+ 111 33.333% * 0.0865% (0.85 1.00 0.02 0.02) = 0.086% HN LYS+ 74 - HN LYS+ 111 33.333% * 0.0446% (0.44 1.00 0.02 0.02) = 0.045% Peak 557 (8.75, 7.58, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.993, support = 2.47, residual support = 6.36: T HN ALA 110 - HN LYS+ 111 50.000% * 94.7929% (1.00 10.00 2.54 6.55) = 94.793% kept HN PHE 45 - HN LYS+ 111 50.000% * 5.2071% (0.92 1.00 1.19 2.94) = 5.207% kept Peak 558 (6.86, 7.58, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.988, support = 2.44, residual support = 2.9: QD PHE 45 - HN LYS+ 111 33.333% * 98.4704% (1.00 2.47 2.94) = 98.470% kept HD2 HIS 122 - HN LYS+ 111 33.333% * 1.3604% (0.24 0.14 0.02) = 1.360% kept HE22 GLN 116 - HN LYS+ 111 33.333% * 0.1692% (0.21 0.02 0.02) = 0.169% Peak 559 (4.48, 7.58, 125.75 ppm): 5 chemical-shift based assignments, quality = 0.313, support = 2.51, residual support = 6.49: O HA ALA 110 - HN LYS+ 111 20.000% * 99.2090% (0.31 10.0 2.53 6.55) = 99.209% kept HA VAL 107 - HN LYS+ 111 20.000% * 0.2992% (0.95 1.0 0.02 0.02) = 0.299% HA ALA 91 - HN LYS+ 111 20.000% * 0.2566% (0.81 1.0 0.02 0.02) = 0.257% HA TRP 27 - HN LYS+ 111 20.000% * 0.1682% (0.53 1.0 0.02 0.02) = 0.168% HA GLN 90 - HN LYS+ 111 20.000% * 0.0669% (0.21 1.0 0.02 0.02) = 0.067% Peak 560 (4.54, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.396, support = 6.73, residual support = 25.6: O HA LYS+ 111 - HN LYS+ 112 33.333% * 99.8098% (0.40 10.0 6.74 25.68) = 99.810% kept HA VAL 108 - HN LYS+ 112 33.333% * 0.1109% (0.44 1.0 0.02 0.02) = 0.111% HA ALA 47 - HN LYS+ 112 33.333% * 0.0793% (0.31 1.0 0.02 0.02) = 0.079% Peak 561 (8.17, 8.43, 117.70 ppm): 5 chemical-shift based assignments, quality = 0.779, support = 3.66, residual support = 16.9: T HN GLU- 114 - HN ASP- 113 20.000% * 93.2472% (0.79 10.00 3.82 18.02) = 93.247% kept HN GLN 116 - HN ASP- 113 20.000% * 6.1904% (0.73 1.00 1.43 0.83) = 6.190% kept HN THR 118 - HN ASP- 113 20.000% * 0.4851% (0.46 1.00 0.18 0.02) = 0.485% HN LEU 71 - HN ASP- 113 20.000% * 0.0492% (0.41 1.00 0.02 0.02) = 0.049% HN PHE 60 - HN ASP- 113 20.000% * 0.0281% (0.24 1.00 0.02 0.02) = 0.028% Peak 562 (8.43, 8.16, 121.97 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 3.82, residual support = 18.0: T HN ASP- 113 - HN GLU- 114 100.000% *100.0000% (1.00 10.00 3.82 18.02) = 100.000% kept Peak 563 (4.15, 8.16, 121.97 ppm): 7 chemical-shift based assignments, quality = 0.911, support = 3.98, residual support = 32.0: O HA GLU- 114 - HN GLU- 114 14.286% * 93.0789% (0.95 10.0 4.03 32.65) = 93.079% kept HA LEU 115 - HN GLU- 114 14.286% * 6.6410% (0.40 1.0 3.42 24.27) = 6.641% kept HA THR 26 - HN GLU- 114 14.286% * 0.0904% (0.92 1.0 0.02 0.02) = 0.090% HA1 GLY 101 - HN GLU- 114 14.286% * 0.0798% (0.81 1.0 0.02 0.02) = 0.080% HA ALA 34 - HN GLU- 114 14.286% * 0.0570% (0.58 1.0 0.02 0.02) = 0.057% HA ASN 28 - HN GLU- 114 14.286% * 0.0347% (0.35 1.0 0.02 0.02) = 0.035% HA CYS 53 - HN GLU- 114 14.286% * 0.0180% (0.18 1.0 0.02 0.02) = 0.018% Peak 564 (4.53, 8.43, 117.70 ppm): 3 chemical-shift based assignments, quality = 0.656, support = 1.92, residual support = 2.48: HA LYS+ 111 - HN ASP- 113 33.333% * 92.5703% (0.69 2.03 2.67) = 92.570% kept HA PRO 52 - HN ASP- 113 33.333% * 7.2783% (0.18 0.61 0.13) = 7.278% kept HA VAL 108 - HN ASP- 113 33.333% * 0.1515% (0.12 0.02 0.02) = 0.151% Peak 565 (4.37, 8.43, 117.70 ppm): 6 chemical-shift based assignments, quality = 0.848, support = 3.3, residual support = 13.8: O HA ASP- 113 - HN ASP- 113 16.667% * 99.7410% (0.85 10.0 3.30 13.88) = 99.741% kept HA LYS+ 99 - HN ASP- 113 16.667% * 0.0727% (0.62 1.0 0.02 0.02) = 0.073% HA ASN 35 - HN ASP- 113 16.667% * 0.0534% (0.46 1.0 0.02 0.02) = 0.053% HA PHE 59 - HN ASP- 113 16.667% * 0.0487% (0.41 1.0 0.02 0.02) = 0.049% HA ILE 56 - HN ASP- 113 16.667% * 0.0487% (0.41 1.0 0.02 0.02) = 0.049% HA LEU 123 - HN ASP- 113 16.667% * 0.0355% (0.30 1.0 0.02 0.02) = 0.035% Peak 566 (8.18, 8.40, 122.87 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 6.45, residual support = 50.4: T HN GLN 116 - HN LEU 115 20.000% * 78.8189% (0.99 10.00 7.25 60.56) = 78.819% kept HN GLU- 114 - HN LEU 115 20.000% * 11.0729% (0.53 1.00 5.19 24.27) = 11.073% kept HN THR 118 - HN LEU 115 20.000% * 6.1431% (0.92 1.00 1.67 0.45) = 6.143% kept HN PHE 60 - HN LEU 115 20.000% * 3.9525% (0.68 1.00 1.46 0.02) = 3.952% kept HN LEU 71 - HN LEU 115 20.000% * 0.0126% (0.16 1.00 0.02 0.02) = 0.013% Peak 567 (8.39, 8.17, 116.99 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 7.24, residual support = 60.5: T HN LEU 115 - HN GLN 116 33.333% * 99.8751% (0.97 10.00 7.25 60.56) = 99.875% kept HN PHE 97 - HN GLN 116 33.333% * 0.0999% (0.97 1.00 0.02 0.02) = 0.100% HN ALA 12 - HN GLN 116 33.333% * 0.0251% (0.24 1.00 0.02 0.02) = 0.025% Peak 568 (8.67, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.946, support = 4.49, residual support = 22.4: T HN SER 117 - HN GLN 116 50.000% * 98.0898% (0.95 10.00 4.57 22.81) = 98.090% kept HN GLY 16 - HN GLN 116 50.000% * 1.9102% (0.73 1.00 0.51 0.02) = 1.910% kept Peak 569 (8.18, 8.66, 115.11 ppm): 5 chemical-shift based assignments, quality = 0.938, support = 3.32, residual support = 12.6: T HN GLN 116 - HN SER 117 20.000% * 48.2773% (0.99 10.00 4.57 22.81) = 48.277% kept T HN THR 118 - HN SER 117 20.000% * 45.1397% (0.92 10.00 2.40 3.46) = 45.140% kept T HN PHE 60 - HN SER 117 20.000% * 6.5492% (0.68 10.00 0.39 0.02) = 6.549% kept HN GLU- 114 - HN SER 117 20.000% * 0.0261% (0.53 1.00 0.02 0.18) = 0.026% HN LEU 71 - HN SER 117 20.000% * 0.0077% (0.16 1.00 0.02 0.02) = 0.008% Peak 570 (6.84, 7.41, 111.00 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 2.02, residual support = 86.2: O HE22 GLN 116 - HE21 GLN 116 25.000% * 99.8372% (0.92 10.0 2.02 86.36) = 99.837% kept HD2 HIS 122 - HE21 GLN 116 25.000% * 0.1028% (0.95 1.0 0.02 0.02) = 0.103% QD PHE 45 - HE21 GLN 116 25.000% * 0.0429% (0.40 1.0 0.02 0.02) = 0.043% HE22 GLN 17 - HE21 GLN 116 25.000% * 0.0171% (0.16 1.0 0.02 0.12) = 0.017% Peak 571 (7.42, 6.83, 111.00 ppm): 4 chemical-shift based assignments, quality = 0.855, support = 2.0, residual support = 85.4: O T HE21 GLN 116 - HE22 GLN 116 25.000% * 98.8523% (0.85 10.0 10.00 2.02 86.36) = 98.852% kept HN ALA 120 - HE22 GLN 116 25.000% * 1.0402% (0.97 1.0 1.00 0.19 0.02) = 1.040% kept HN ALA 57 - HE22 GLN 116 25.000% * 0.0892% (0.77 1.0 1.00 0.02 0.02) = 0.089% HE21 GLN 90 - HE22 GLN 116 25.000% * 0.0183% (0.16 1.0 1.00 0.02 0.02) = 0.018% Peak 572 (4.37, 8.17, 116.99 ppm): 6 chemical-shift based assignments, quality = 0.824, support = 1.07, residual support = 0.525: HA ASP- 113 - HN GLN 116 16.667% * 57.6557% (1.00 1.45 0.83) = 57.656% kept HA LYS+ 99 - HN GLN 116 16.667% * 16.6952% (0.73 0.58 0.13) = 16.695% kept HA ILE 56 - HN GLN 116 16.667% * 13.5180% (0.49 0.69 0.11) = 13.518% kept HA ASN 35 - HN GLN 116 16.667% * 9.8225% (0.53 0.46 0.02) = 9.823% kept HA PHE 59 - HN GLN 116 16.667% * 2.0252% (0.49 0.10 0.46) = 2.025% kept HA LEU 123 - HN GLN 116 16.667% * 0.2834% (0.35 0.02 0.02) = 0.283% Peak 573 (4.01, 8.17, 116.99 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.89, residual support = 86.0: O HA GLN 116 - HN GLN 116 14.286% * 99.6146% (1.00 10.0 5.91 86.36) = 99.615% kept HA VAL 70 - HN GLN 116 14.286% * 0.0996% (1.00 1.0 0.02 0.02) = 0.100% HA LYS+ 33 - HN GLN 116 14.286% * 0.0812% (0.81 1.0 0.02 0.02) = 0.081% HA GLU- 29 - HN GLN 116 14.286% * 0.0628% (0.63 1.0 0.02 0.02) = 0.063% HA VAL 18 - HN GLN 116 14.286% * 0.0580% (0.58 1.0 0.02 0.02) = 0.058% HB2 SER 82 - HN GLN 116 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.048% HB2 SER 37 - HN GLN 116 14.286% * 0.0353% (0.35 1.0 0.02 0.02) = 0.035% Peak 574 (4.13, 8.40, 122.87 ppm): 8 chemical-shift based assignments, quality = 0.837, support = 5.94, residual support = 120.8: O HA LEU 115 - HN LEU 115 12.500% * 63.9481% (1.00 10.0 6.75 175.92) = 63.948% kept O HA GLU- 114 - HN LEU 115 12.500% * 34.2632% (0.53 10.0 4.71 24.27) = 34.263% kept HA ASN 28 - HN LEU 115 12.500% * 1.6114% (1.00 1.0 0.50 1.25) = 1.611% kept HA ALA 34 - HN LEU 115 12.500% * 0.0592% (0.92 1.0 0.02 0.51) = 0.059% HA1 GLY 101 - HN LEU 115 12.500% * 0.0466% (0.73 1.0 0.02 0.02) = 0.047% HA ARG+ 54 - HN LEU 115 12.500% * 0.0343% (0.53 1.0 0.02 0.95) = 0.034% HA ALA 124 - HN LEU 115 12.500% * 0.0254% (0.40 1.0 0.02 0.02) = 0.025% HA THR 26 - HN LEU 115 12.500% * 0.0118% (0.18 1.0 0.02 0.02) = 0.012% Peak 575 (4.22, 8.66, 115.11 ppm): 4 chemical-shift based assignments, quality = 0.259, support = 3.23, residual support = 10.3: O HA SER 117 - HN SER 117 25.000% * 95.8148% (0.24 10.0 3.36 10.73) = 95.815% kept HB THR 26 - HN SER 117 25.000% * 3.6987% (0.68 1.0 0.28 0.02) = 3.699% kept HA ASP- 62 - HN SER 117 25.000% * 0.3627% (0.92 1.0 0.02 0.02) = 0.363% HA SER 82 - HN SER 117 25.000% * 0.1238% (0.31 1.0 0.02 0.02) = 0.124% Peak 576 (7.91, 7.43, 118.69 ppm): 4 chemical-shift based assignments, quality = 0.759, support = 4.23, residual support = 28.4: T HN ILE 119 - HN ALA 120 25.000% * 91.3248% (0.76 10.00 4.58 31.10) = 91.325% kept HN ILE 89 - HN ALA 120 25.000% * 3.4399% (0.89 1.00 0.65 0.02) = 3.440% kept HN SER 37 - HN ALA 120 25.000% * 3.1913% (0.85 1.00 0.63 0.02) = 3.191% kept T HN CYS 21 - HN ALA 120 25.000% * 2.0440% (0.28 10.00 0.12 0.02) = 2.044% kept Peak 577 (7.23, 7.51, 116.39 ppm): 3 chemical-shift based assignments, quality = 0.799, support = 4.69, residual support = 38.1: HN HIS 122 - HN LYS+ 121 33.333% * 87.1285% (0.80 5.27 43.70) = 87.128% kept HH2 TRP 87 - HN LYS+ 121 33.333% * 12.7107% (0.79 0.78 0.46) = 12.711% kept HN PHE 59 - HN LYS+ 121 33.333% * 0.1608% (0.39 0.02 0.15) = 0.161% Peak 578 (7.47, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.209, support = 5.04, residual support = 25.4: HN LEU 123 - HN HIS 122 33.333% * 99.7517% (0.21 5.05 25.49) = 99.752% kept HE21 GLN 17 - HN HIS 122 33.333% * 0.1331% (0.07 0.02 0.02) = 0.133% HZ2 TRP 49 - HN HIS 122 33.333% * 0.1152% (0.06 0.02 0.11) = 0.115% Peak 579 (7.24, 7.46, 121.46 ppm): 4 chemical-shift based assignments, quality = 0.807, support = 5.0, residual support = 25.3: HN HIS 122 - HN LEU 123 25.000% * 99.0482% (0.81 5.05 25.49) = 99.048% kept HN PHE 59 - HN LEU 123 25.000% * 0.4115% (0.85 0.02 0.02) = 0.411% HH2 TRP 87 - HN LEU 123 25.000% * 0.3495% (0.73 0.02 0.02) = 0.349% QE PHE 59 - HN LEU 123 25.000% * 0.1909% (0.40 0.02 0.02) = 0.191% Peak 580 (4.38, 7.45, 128.80 ppm): 9 chemical-shift based assignments, quality = 0.987, support = 3.81, residual support = 10.7: O HA LEU 123 - HN ALA 124 11.111% * 99.0171% (1.00 10.0 3.85 10.84) = 99.017% kept HA ILE 56 - HN ALA 124 11.111% * 0.6648% (0.99 1.0 0.14 0.02) = 0.665% HA ASN 35 - HN ALA 124 11.111% * 0.0965% (0.97 1.0 0.02 0.02) = 0.097% HA LYS+ 99 - HN ALA 124 11.111% * 0.0849% (0.85 1.0 0.02 0.02) = 0.085% HA ASP- 113 - HN ALA 124 11.111% * 0.0438% (0.44 1.0 0.02 0.02) = 0.044% HA LEU 40 - HN ALA 124 11.111% * 0.0352% (0.35 1.0 0.02 0.02) = 0.035% HA PRO 58 - HN ALA 124 11.111% * 0.0211% (0.21 1.0 0.02 0.02) = 0.021% HA SER 13 - HN ALA 124 11.111% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% HA GLU- 15 - HN ALA 124 11.111% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% Peak 581 (4.11, 7.45, 128.80 ppm): 7 chemical-shift based assignments, quality = 0.993, support = 1.65, residual support = 7.66: O HA ALA 124 - HN ALA 124 14.286% * 99.6238% (1.00 10.0 1.65 7.68) = 99.624% kept HA ARG+ 54 - HN ALA 124 14.286% * 0.1148% (0.95 1.0 0.02 0.02) = 0.115% HA LYS+ 81 - HN ALA 124 14.286% * 0.0878% (0.73 1.0 0.02 0.02) = 0.088% HA GLU- 36 - HN ALA 124 14.286% * 0.0704% (0.58 1.0 0.02 0.02) = 0.070% HA ASN 28 - HN ALA 124 14.286% * 0.0429% (0.35 1.0 0.02 0.02) = 0.043% HA LEU 115 - HN ALA 124 14.286% * 0.0381% (0.31 1.0 0.02 0.02) = 0.038% HA ALA 34 - HN ALA 124 14.286% * 0.0222% (0.18 1.0 0.02 0.02) = 0.022% Peak 582 (4.88, 7.46, 121.46 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.3, residual support = 25.5: O HA HIS 122 - HN LEU 123 33.333% * 99.9139% (1.00 10.0 4.31 25.49) = 99.914% kept HA VAL 41 - HN LEU 123 33.333% * 0.0726% (0.73 1.0 0.02 0.52) = 0.073% HA PHE 45 - HN LEU 123 33.333% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% Peak 583 (4.38, 7.46, 121.46 ppm): 9 chemical-shift based assignments, quality = 0.99, support = 5.69, residual support = 181.3: O HA LEU 123 - HN LEU 123 11.111% * 99.2971% (1.00 10.0 5.73 182.54) = 99.297% kept HA ASN 35 - HN LEU 123 11.111% * 0.3824% (0.97 1.0 0.08 0.02) = 0.382% HA ILE 56 - HN LEU 123 11.111% * 0.0983% (0.99 1.0 0.02 0.02) = 0.098% HA LYS+ 99 - HN LEU 123 11.111% * 0.0852% (0.85 1.0 0.02 0.02) = 0.085% HA ASP- 113 - HN LEU 123 11.111% * 0.0439% (0.44 1.0 0.02 0.02) = 0.044% HA LEU 40 - HN LEU 123 11.111% * 0.0353% (0.35 1.0 0.02 0.52) = 0.035% HA PRO 58 - HN LEU 123 11.111% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% HA SER 13 - HN LEU 123 11.111% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% HA GLU- 15 - HN LEU 123 11.111% * 0.0183% (0.18 1.0 0.02 0.02) = 0.018% Peak 584 (6.81, 7.24, 114.00 ppm): 5 chemical-shift based assignments, quality = 0.0708, support = 5.3, residual support = 57.8: HD2 HIS 122 - HN HIS 122 20.000% * 95.0346% (0.06 5.57 60.83) = 95.035% kept HE22 GLN 17 - HN HIS 122 20.000% * 1.8016% (0.32 0.02 0.02) = 1.802% kept HE22 GLN 32 - HN HIS 122 20.000% * 1.5108% (0.27 0.02 0.02) = 1.511% kept HE22 GLN 90 - HN HIS 122 20.000% * 1.2589% (0.23 0.02 0.02) = 1.259% kept HE22 GLN 116 - HN HIS 122 20.000% * 0.3940% (0.07 0.02 0.02) = 0.394% Peak 585 (4.88, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.256, support = 4.47, residual support = 60.7: O HA HIS 122 - HN HIS 122 33.333% * 99.8141% (0.26 10.0 4.48 60.83) = 99.814% kept HA VAL 41 - HN HIS 122 33.333% * 0.1289% (0.33 1.0 0.02 0.02) = 0.129% HA PHE 45 - HN HIS 122 33.333% * 0.0570% (0.15 1.0 0.02 0.02) = 0.057% Peak 588 (3.95, 7.51, 116.39 ppm): 10 chemical-shift based assignments, quality = 0.634, support = 3.79, residual support = 94.8: O HA ALA 120 - HN LYS+ 121 10.000% * 65.9056% (0.76 10.0 2.48 5.33) = 65.906% kept O HA LYS+ 121 - HN LYS+ 121 10.000% * 33.7650% (0.39 10.0 6.40 270.40) = 33.765% kept QB SER 85 - HN LYS+ 121 10.000% * 0.0640% (0.74 1.0 0.02 0.02) = 0.064% HA2 GLY 16 - HN LYS+ 121 10.000% * 0.0640% (0.74 1.0 0.02 0.02) = 0.064% HA LYS+ 65 - HN LYS+ 121 10.000% * 0.0593% (0.69 1.0 0.02 0.02) = 0.059% QB SER 48 - HN LYS+ 121 10.000% * 0.0504% (0.58 1.0 0.02 0.02) = 0.050% HB THR 94 - HN LYS+ 121 10.000% * 0.0404% (0.47 1.0 0.02 0.02) = 0.040% HA2 GLY 51 - HN LYS+ 121 10.000% * 0.0275% (0.32 1.0 0.02 0.02) = 0.028% HD2 PRO 52 - HN LYS+ 121 10.000% * 0.0128% (0.15 1.0 0.02 0.02) = 0.013% QB SER 117 - HN LYS+ 121 10.000% * 0.0110% (0.13 1.0 0.02 0.02) = 0.011% Peak 589 (3.96, 7.43, 118.69 ppm): 11 chemical-shift based assignments, quality = 0.62, support = 3.22, residual support = 8.44: O HA ALA 120 - HN ALA 120 9.091% * 94.0192% (0.65 10.0 3.23 8.67) = 94.019% kept HA LYS+ 121 - HN ALA 120 9.091% * 5.3693% (0.22 1.0 3.40 5.33) = 5.369% kept HA LYS+ 65 - HN ALA 120 9.091% * 0.1291% (0.89 1.0 0.02 0.02) = 0.129% QB SER 85 - HN ALA 120 9.091% * 0.1291% (0.89 1.0 0.02 0.02) = 0.129% HA2 GLY 16 - HN ALA 120 9.091% * 0.1291% (0.89 1.0 0.02 0.02) = 0.129% QB SER 48 - HN ALA 120 9.091% * 0.0571% (0.39 1.0 0.02 0.02) = 0.057% HD2 PRO 52 - HN ALA 120 9.091% * 0.0514% (0.35 1.0 0.02 0.02) = 0.051% HB THR 94 - HN ALA 120 9.091% * 0.0408% (0.28 1.0 0.02 0.02) = 0.041% HA GLN 32 - HN ALA 120 9.091% * 0.0275% (0.19 1.0 0.02 0.02) = 0.028% HA2 GLY 51 - HN ALA 120 9.091% * 0.0238% (0.16 1.0 0.02 0.02) = 0.024% HA ALA 88 - HN ALA 120 9.091% * 0.0238% (0.16 1.0 0.02 0.02) = 0.024% Peak 592 (1.67, 7.45, 128.80 ppm): 10 chemical-shift based assignments, quality = 0.654, support = 3.58, residual support = 9.83: HB2 LEU 123 - HN ALA 124 10.000% * 90.7023% (0.68 3.93 10.84) = 90.702% kept HB2 LYS+ 121 - HN ALA 124 10.000% * 6.0664% (0.63 0.28 0.02) = 6.066% kept QD LYS+ 102 - HN ALA 124 10.000% * 0.6271% (0.92 0.02 0.02) = 0.627% QD LYS+ 38 - HN ALA 124 10.000% * 0.6271% (0.92 0.02 0.02) = 0.627% HB VAL 83 - HN ALA 124 10.000% * 0.5242% (0.77 0.02 0.02) = 0.524% HG3 PRO 93 - HN ALA 124 10.000% * 0.4933% (0.73 0.02 0.02) = 0.493% QD LYS+ 65 - HN ALA 124 10.000% * 0.4612% (0.68 0.02 0.02) = 0.461% HD2 LYS+ 111 - HN ALA 124 10.000% * 0.2409% (0.35 0.02 0.02) = 0.241% HB3 MET 92 - HN ALA 124 10.000% * 0.1656% (0.24 0.02 0.02) = 0.166% HB2 LEU 73 - HN ALA 124 10.000% * 0.0919% (0.14 0.02 0.02) = 0.092% Peak 593 (1.36, 7.45, 128.80 ppm): 14 chemical-shift based assignments, quality = 0.538, support = 1.58, residual support = 7.27: O QB ALA 124 - HN ALA 124 7.143% * 94.6274% (0.53 10.0 1.65 7.68) = 94.627% kept QB ALA 84 - HN ALA 124 7.143% * 4.0575% (0.81 1.0 0.46 0.02) = 4.057% kept HB3 PRO 93 - HN ALA 124 7.143% * 0.1832% (0.85 1.0 0.02 0.02) = 0.183% HG3 LYS+ 106 - HN ALA 124 7.143% * 0.1746% (0.81 1.0 0.02 0.02) = 0.175% HG LEU 98 - HN ALA 124 7.143% * 0.1455% (0.68 1.0 0.02 0.02) = 0.145% HB2 LYS+ 112 - HN ALA 124 7.143% * 0.1455% (0.68 1.0 0.02 0.02) = 0.145% HG3 LYS+ 102 - HN ALA 124 7.143% * 0.1248% (0.58 1.0 0.02 0.02) = 0.125% HB3 LEU 73 - HN ALA 124 7.143% * 0.1145% (0.53 1.0 0.02 0.02) = 0.114% HB VAL 42 - HN ALA 124 7.143% * 0.0945% (0.44 1.0 0.02 0.02) = 0.094% HG3 LYS+ 65 - HN ALA 124 7.143% * 0.0945% (0.44 1.0 0.02 0.02) = 0.094% HB3 ASP- 44 - HN ALA 124 7.143% * 0.0760% (0.35 1.0 0.02 0.02) = 0.076% HG3 LYS+ 33 - HN ALA 124 7.143% * 0.0760% (0.35 1.0 0.02 0.02) = 0.076% HB2 LEU 63 - HN ALA 124 7.143% * 0.0523% (0.24 1.0 0.02 0.02) = 0.052% HB3 LEU 80 - HN ALA 124 7.143% * 0.0339% (0.16 1.0 0.02 0.02) = 0.034% Peak 594 (3.95, 7.46, 121.46 ppm): 9 chemical-shift based assignments, quality = 0.845, support = 2.59, residual support = 4.93: HA ALA 120 - HN LEU 123 11.111% * 43.0465% (0.99 3.91 10.02) = 43.047% kept HA LYS+ 121 - HN LEU 123 11.111% * 20.6358% (0.77 2.40 1.71) = 20.636% kept QB SER 85 - HN LEU 123 11.111% * 9.7550% (0.68 1.29 0.99) = 9.755% kept HA2 GLY 16 - HN LEU 123 11.111% * 9.7550% (0.68 1.29 1.05) = 9.755% kept QB SER 48 - HN LEU 123 11.111% * 9.0102% (0.95 0.85 0.17) = 9.010% kept HA LYS+ 65 - HN LEU 123 11.111% * 7.3760% (0.58 1.13 0.62) = 7.376% kept HB THR 94 - HN LEU 123 11.111% * 0.1908% (0.85 0.02 0.02) = 0.191% HA2 GLY 51 - HN LEU 123 11.111% * 0.1516% (0.68 0.02 0.02) = 0.152% QB SER 117 - HN LEU 123 11.111% * 0.0792% (0.35 0.02 0.02) = 0.079% Peak 595 (2.76, 7.46, 121.46 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 4.25, residual support = 21.8: HB3 HIS 122 - HN LEU 123 25.000% * 84.3031% (0.99 4.80 25.49) = 84.303% kept QE LYS+ 121 - HN LEU 123 25.000% * 15.5144% (0.68 1.28 1.71) = 15.514% kept HB3 ASP- 78 - HN LEU 123 25.000% * 0.1262% (0.35 0.02 0.02) = 0.126% HG2 GLN 30 - HN LEU 123 25.000% * 0.0563% (0.16 0.02 3.49) = 0.056% Peak 596 (1.85, 7.46, 121.46 ppm): 12 chemical-shift based assignments, quality = 0.665, support = 5.06, residual support = 172.3: HG LEU 123 - HN LEU 123 8.333% * 94.4055% (0.68 5.36 182.54) = 94.406% kept HB ILE 103 - HN LEU 123 8.333% * 1.9628% (0.77 0.10 0.02) = 1.963% kept HB3 ASP- 105 - HN LEU 123 8.333% * 1.3309% (0.68 0.08 0.02) = 1.331% kept HG3 PRO 68 - HN LEU 123 8.333% * 0.4230% (0.81 0.02 0.02) = 0.423% HG2 ARG+ 54 - HN LEU 123 8.333% * 0.3770% (0.73 0.02 0.25) = 0.377% HB3 PRO 52 - HN LEU 123 8.333% * 0.3525% (0.68 0.02 0.02) = 0.353% QB LYS+ 33 - HN LEU 123 8.333% * 0.2773% (0.53 0.02 0.02) = 0.277% HB3 GLN 90 - HN LEU 123 8.333% * 0.2289% (0.44 0.02 0.02) = 0.229% HG12 ILE 103 - HN LEU 123 8.333% * 0.1841% (0.35 0.02 0.02) = 0.184% QB LYS+ 81 - HN LEU 123 8.333% * 0.1841% (0.35 0.02 0.02) = 0.184% QB LYS+ 106 - HN LEU 123 8.333% * 0.1635% (0.31 0.02 0.02) = 0.164% HB VAL 41 - HN LEU 123 8.333% * 0.1103% (0.21 0.02 0.52) = 0.110% Peak 597 (1.67, 7.46, 121.46 ppm): 10 chemical-shift based assignments, quality = 0.668, support = 5.52, residual support = 157.0: O HB2 LEU 123 - HN LEU 123 10.000% * 85.8844% (0.68 10.0 5.90 182.54) = 85.884% kept HB2 LYS+ 121 - HN LEU 123 10.000% * 13.5139% (0.63 1.0 3.39 1.71) = 13.514% kept QD LYS+ 102 - HN LEU 123 10.000% * 0.1168% (0.92 1.0 0.02 0.02) = 0.117% QD LYS+ 38 - HN LEU 123 10.000% * 0.1168% (0.92 1.0 0.02 0.02) = 0.117% HB VAL 83 - HN LEU 123 10.000% * 0.0976% (0.77 1.0 0.02 0.02) = 0.098% HG3 PRO 93 - HN LEU 123 10.000% * 0.0919% (0.73 1.0 0.02 0.02) = 0.092% QD LYS+ 65 - HN LEU 123 10.000% * 0.0859% (0.68 1.0 0.02 0.62) = 0.086% HD2 LYS+ 111 - HN LEU 123 10.000% * 0.0449% (0.35 1.0 0.02 0.02) = 0.045% HB3 MET 92 - HN LEU 123 10.000% * 0.0308% (0.24 1.0 0.02 0.02) = 0.031% HB2 LEU 73 - HN LEU 123 10.000% * 0.0171% (0.14 1.0 0.02 0.02) = 0.017% Peak 598 (0.85, 7.46, 121.46 ppm): 5 chemical-shift based assignments, quality = 0.855, support = 5.28, residual support = 159.6: QD1 LEU 123 - HN LEU 123 20.000% * 87.4389% (0.85 6.00 182.54) = 87.439% kept HB3 LEU 104 - HN LEU 123 20.000% * 6.0190% (0.99 0.36 0.02) = 6.019% kept QD1 LEU 71 - HN LEU 123 20.000% * 3.9028% (0.85 0.27 0.02) = 3.903% kept QG1 VAL 70 - HN LEU 123 20.000% * 2.4889% (0.58 0.25 0.02) = 2.489% kept QG1 VAL 18 - HN LEU 123 20.000% * 0.1504% (0.44 0.02 0.02) = 0.150% Peak 601 (3.96, 7.24, 114.00 ppm): 10 chemical-shift based assignments, quality = 0.209, support = 5.39, residual support = 26.4: O HA LYS+ 121 - HN HIS 122 10.000% * 59.9278% (0.15 10.0 6.82 43.70) = 59.928% kept HA ALA 120 - HN HIS 122 10.000% * 27.8042% (0.31 1.0 4.43 0.74) = 27.804% kept QB SER 85 - HN HIS 122 10.000% * 3.8025% (0.32 1.0 0.59 0.02) = 3.802% kept HA2 GLY 16 - HN HIS 122 10.000% * 3.8025% (0.32 1.0 0.59 0.02) = 3.802% kept HA LYS+ 65 - HN HIS 122 10.000% * 3.2276% (0.30 1.0 0.53 0.02) = 3.228% kept QB SER 48 - HN HIS 122 10.000% * 1.2673% (0.23 1.0 0.27 0.02) = 1.267% kept HB THR 94 - HN HIS 122 10.000% * 0.0726% (0.18 1.0 0.02 0.02) = 0.073% HA2 GLY 51 - HN HIS 122 10.000% * 0.0482% (0.12 1.0 0.02 0.02) = 0.048% HD2 PRO 52 - HN HIS 122 10.000% * 0.0289% (0.07 1.0 0.02 0.02) = 0.029% QB SER 117 - HN HIS 122 10.000% * 0.0184% (0.04 1.0 0.02 0.02) = 0.018% Peak 602 (3.70, 7.24, 114.00 ppm): 7 chemical-shift based assignments, quality = 0.193, support = 3.99, residual support = 3.32: HA ILE 119 - HN HIS 122 14.286% * 49.2291% (0.23 4.49 3.90) = 49.229% kept HA THR 118 - HN HIS 122 14.286% * 35.9396% (0.16 4.57 3.85) = 35.940% kept HB2 TRP 49 - HN HIS 122 14.286% * 9.9153% (0.19 1.05 0.11) = 9.915% kept HA ALA 84 - HN HIS 122 14.286% * 4.1008% (0.12 0.72 0.02) = 4.101% kept HA VAL 75 - HN HIS 122 14.286% * 0.7046% (0.13 0.11 1.16) = 0.705% HA2 GLY 109 - HN HIS 122 14.286% * 0.0595% (0.06 0.02 0.02) = 0.059% HD3 PRO 58 - HN HIS 122 14.286% * 0.0512% (0.05 0.02 0.02) = 0.051% Not enough quality. Peak unassigned. Peak 603 (3.47, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.0624, support = 4.18, residual support = 59.7: O HB2 HIS 122 - HN HIS 122 33.333% * 98.1471% (0.06 10.0 4.25 60.83) = 98.147% kept HA LYS+ 112 - HN HIS 122 33.333% * 1.6413% (0.15 1.0 0.14 0.02) = 1.641% kept HB2 HIS 22 - HN HIS 122 33.333% * 0.2116% (0.13 1.0 0.02 0.02) = 0.212% Peak 604 (2.76, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.278, support = 6.03, residual support = 58.6: O HB3 HIS 122 - HN HIS 122 33.333% * 86.9785% (0.30 10.0 6.12 60.83) = 86.979% kept QE LYS+ 121 - HN HIS 122 33.333% * 12.9694% (0.16 1.0 5.46 43.70) = 12.969% kept HB3 ASP- 78 - HN HIS 122 33.333% * 0.0521% (0.18 1.0 0.02 0.02) = 0.052% Peak 605 (1.66, 7.24, 114.00 ppm): 8 chemical-shift based assignments, quality = 0.262, support = 6.22, residual support = 39.3: HB2 LYS+ 121 - HN HIS 122 12.500% * 77.1447% (0.31 6.68 43.70) = 77.145% kept HB2 LEU 123 - HN HIS 122 12.500% * 21.7967% (0.12 4.91 25.49) = 21.797% kept HB VAL 83 - HN HIS 122 12.500% * 0.2471% (0.33 0.02 0.02) = 0.247% QD LYS+ 38 - HN HIS 122 12.500% * 0.2471% (0.33 0.02 0.02) = 0.247% QD LYS+ 65 - HN HIS 122 12.500% * 0.2378% (0.32 0.02 0.02) = 0.238% QD LYS+ 102 - HN HIS 122 12.500% * 0.1579% (0.21 0.02 0.02) = 0.158% HG3 PRO 93 - HN HIS 122 12.500% * 0.0993% (0.13 0.02 0.02) = 0.099% HD2 LYS+ 74 - HN HIS 122 12.500% * 0.0696% (0.09 0.02 0.12) = 0.070% Peak 606 (1.52, 7.24, 114.00 ppm): 9 chemical-shift based assignments, quality = 0.268, support = 5.13, residual support = 38.7: HB3 LYS+ 121 - HN HIS 122 11.111% * 66.5761% (0.32 5.51 43.70) = 66.576% kept HD2 LYS+ 121 - HN HIS 122 11.111% * 21.8734% (0.09 6.33 43.70) = 21.873% kept HG LEU 104 - HN HIS 122 11.111% * 9.2913% (0.32 0.77 0.77) = 9.291% kept HB3 LYS+ 111 - HN HIS 122 11.111% * 1.0953% (0.30 0.10 0.02) = 1.095% kept HD3 LYS+ 74 - HN HIS 122 11.111% * 0.8518% (0.28 0.08 0.12) = 0.852% QD LYS+ 66 - HN HIS 122 11.111% * 0.1805% (0.24 0.02 0.02) = 0.181% HG2 LYS+ 65 - HN HIS 122 11.111% * 0.0528% (0.07 0.02 0.02) = 0.053% QG2 THR 26 - HN HIS 122 11.111% * 0.0394% (0.05 0.02 0.02) = 0.039% HG2 LYS+ 33 - HN HIS 122 11.111% * 0.0394% (0.05 0.02 0.02) = 0.039% Peak 607 (0.86, 7.24, 114.00 ppm): 6 chemical-shift based assignments, quality = 0.269, support = 4.06, residual support = 20.6: QD1 LEU 123 - HN HIS 122 16.667% * 80.4913% (0.27 4.94 25.49) = 80.491% kept QG1 VAL 70 - HN HIS 122 16.667% * 8.0737% (0.33 0.41 0.02) = 8.074% kept QD1 LEU 71 - HN HIS 122 16.667% * 7.8505% (0.27 0.48 0.49) = 7.850% kept HB3 LEU 104 - HN HIS 122 16.667% * 2.9724% (0.13 0.37 0.77) = 2.972% kept QG1 VAL 18 - HN HIS 122 16.667% * 0.3986% (0.33 0.02 0.02) = 0.399% HB3 LEU 63 - HN HIS 122 16.667% * 0.2136% (0.18 0.02 0.02) = 0.214% Peak 608 (3.70, 7.51, 116.39 ppm): 7 chemical-shift based assignments, quality = 0.466, support = 2.11, residual support = 2.73: HA ILE 119 - HN LYS+ 121 14.286% * 50.2288% (0.54 2.69 3.51) = 50.229% kept HA THR 118 - HN LYS+ 121 14.286% * 28.7629% (0.39 2.15 3.17) = 28.763% kept HB2 TRP 49 - HN LYS+ 121 14.286% * 12.1252% (0.47 0.76 0.42) = 12.125% kept HA ALA 84 - HN LYS+ 121 14.286% * 6.9531% (0.28 0.71 0.02) = 6.953% kept HA VAL 75 - HN LYS+ 121 14.286% * 1.1995% (0.32 0.11 0.02) = 1.199% kept HD3 PRO 58 - HN LYS+ 121 14.286% * 0.6292% (0.13 0.14 0.02) = 0.629% HA2 GLY 109 - HN LYS+ 121 14.286% * 0.1012% (0.15 0.02 0.02) = 0.101% Peak 609 (1.66, 7.51, 116.39 ppm): 8 chemical-shift based assignments, quality = 0.72, support = 6.6, residual support = 259.6: O HB2 LYS+ 121 - HN LYS+ 121 12.500% * 95.9809% (0.74 10.0 6.80 270.40) = 95.981% kept HB2 LEU 123 - HN LYS+ 121 12.500% * 3.5793% (0.28 1.0 1.94 1.71) = 3.579% kept HB VAL 83 - HN LYS+ 121 12.500% * 0.1027% (0.79 1.0 0.02 0.02) = 0.103% QD LYS+ 38 - HN LYS+ 121 12.500% * 0.1027% (0.79 1.0 0.02 0.02) = 0.103% QD LYS+ 65 - HN LYS+ 121 12.500% * 0.0988% (0.76 1.0 0.02 0.02) = 0.099% QD LYS+ 102 - HN LYS+ 121 12.500% * 0.0656% (0.51 1.0 0.02 0.02) = 0.066% HG3 PRO 93 - HN LYS+ 121 12.500% * 0.0412% (0.32 1.0 0.02 0.02) = 0.041% HD2 LYS+ 74 - HN LYS+ 121 12.500% * 0.0289% (0.22 1.0 0.02 0.15) = 0.029% Peak 610 (1.50, 7.51, 116.39 ppm): 8 chemical-shift based assignments, quality = 0.529, support = 5.44, residual support = 234.7: HD2 LYS+ 121 - HN LYS+ 121 12.500% * 86.5827% (0.58 5.87 270.40) = 86.583% kept QB ALA 120 - HN LYS+ 121 12.500% * 10.7878% (0.13 3.35 5.33) = 10.788% kept QG2 THR 26 - HN LYS+ 121 12.500% * 1.5716% (0.71 0.09 0.02) = 1.572% kept HB2 LYS+ 74 - HN LYS+ 121 12.500% * 0.4052% (0.80 0.02 0.15) = 0.405% HG2 LYS+ 65 - HN LYS+ 121 12.500% * 0.3312% (0.65 0.02 0.02) = 0.331% HB3 LEU 40 - HN LYS+ 121 12.500% * 0.1441% (0.28 0.02 0.02) = 0.144% QD LYS+ 66 - HN LYS+ 121 12.500% * 0.1130% (0.22 0.02 0.02) = 0.113% HG LEU 115 - HN LYS+ 121 12.500% * 0.0643% (0.13 0.02 0.15) = 0.064% Peak 611 (1.15, 7.51, 116.39 ppm): 4 chemical-shift based assignments, quality = 0.751, support = 5.69, residual support = 266.5: HG2 LYS+ 121 - HN LYS+ 121 25.000% * 98.5666% (0.76 5.77 270.40) = 98.567% kept HG13 ILE 103 - HN LYS+ 121 25.000% * 0.8862% (0.43 0.09 0.02) = 0.886% QG2 VAL 107 - HN LYS+ 121 25.000% * 0.3551% (0.79 0.02 0.02) = 0.355% QB ALA 20 - HN LYS+ 121 25.000% * 0.1921% (0.43 0.02 0.02) = 0.192% Peak 612 (0.85, 7.51, 116.39 ppm): 5 chemical-shift based assignments, quality = 0.67, support = 1.21, residual support = 1.04: QD1 LEU 123 - HN LYS+ 121 20.000% * 60.3934% (0.69 1.76 1.71) = 60.393% kept QD1 LEU 71 - HN LYS+ 121 20.000% * 14.2470% (0.69 0.42 0.02) = 14.247% kept HB3 LEU 104 - HN LYS+ 121 20.000% * 13.1607% (0.79 0.33 0.02) = 13.161% kept QG1 VAL 70 - HN LYS+ 121 20.000% * 10.1462% (0.47 0.43 0.02) = 10.146% kept QG1 VAL 18 - HN LYS+ 121 20.000% * 2.0527% (0.35 0.12 0.02) = 2.053% kept Peak 613 (2.04, 7.43, 118.69 ppm): 9 chemical-shift based assignments, quality = 0.853, support = 4.51, residual support = 28.4: HB ILE 119 - HN ALA 120 11.111% * 91.2543% (0.87 4.92 31.10) = 91.254% kept HG3 GLN 30 - HN ALA 120 11.111% * 4.2631% (0.82 0.24 0.02) = 4.263% kept HB2 GLN 30 - HN ALA 120 11.111% * 3.1718% (0.87 0.17 0.02) = 3.172% kept HB3 GLU- 100 - HN ALA 120 11.111% * 0.3806% (0.89 0.02 0.02) = 0.381% HB VAL 108 - HN ALA 120 11.111% * 0.2946% (0.69 0.02 0.02) = 0.295% HB2 ARG+ 54 - HN ALA 120 11.111% * 0.2592% (0.61 0.02 0.02) = 0.259% HB3 PRO 68 - HN ALA 120 11.111% * 0.1858% (0.43 0.02 0.02) = 0.186% HB2 PRO 93 - HN ALA 120 11.111% * 0.1203% (0.28 0.02 0.02) = 0.120% HB2 LYS+ 111 - HN ALA 120 11.111% * 0.0703% (0.16 0.02 0.02) = 0.070% Peak 614 (1.49, 7.43, 118.69 ppm): 7 chemical-shift based assignments, quality = 0.356, support = 3.2, residual support = 7.92: O QB ALA 120 - HN ALA 120 14.286% * 82.5192% (0.35 10.0 3.27 8.67) = 82.519% kept HD2 LYS+ 121 - HN ALA 120 14.286% * 14.3131% (0.35 1.0 3.47 5.33) = 14.313% kept HB3 LEU 40 - HN ALA 120 14.286% * 2.2729% (0.61 1.0 0.32 0.02) = 2.273% kept QG2 THR 26 - HN ALA 120 14.286% * 0.5256% (0.52 1.0 0.09 0.02) = 0.526% HB2 LYS+ 74 - HN ALA 120 14.286% * 0.1854% (0.79 1.0 0.02 0.02) = 0.185% HG2 LYS+ 65 - HN ALA 120 14.286% * 0.1013% (0.43 1.0 0.02 0.02) = 0.101% HG LEU 115 - HN ALA 120 14.286% * 0.0825% (0.35 1.0 0.02 0.02) = 0.083% Peak 615 (0.97, 7.43, 118.69 ppm): 7 chemical-shift based assignments, quality = 0.517, support = 3.13, residual support = 16.7: QG2 ILE 119 - HN ALA 120 14.286% * 53.6512% (0.35 5.43 31.10) = 53.651% kept QG2 ILE 103 - HN ALA 120 14.286% * 13.6061% (0.76 0.64 0.15) = 13.606% kept HG3 LYS+ 74 - HN ALA 120 14.286% * 9.6464% (0.85 0.41 0.02) = 9.646% kept QD2 LEU 40 - HN ALA 120 14.286% * 8.0905% (0.61 0.48 0.02) = 8.090% kept QD1 LEU 67 - HN ALA 120 14.286% * 8.0094% (0.65 0.44 0.02) = 8.009% kept QD1 ILE 103 - HN ALA 120 14.286% * 5.2529% (0.56 0.33 0.15) = 5.253% kept QD2 LEU 71 - HN ALA 120 14.286% * 1.7435% (0.69 0.09 0.02) = 1.744% kept Peak 616 (3.96, 8.66, 115.11 ppm): 10 chemical-shift based assignments, quality = 0.315, support = 1.94, residual support = 8.25: O QB SER 117 - HN SER 117 10.000% * 74.5934% (0.14 10.0 2.47 10.73) = 74.593% kept HA2 GLY 16 - HN SER 117 10.000% * 11.2315% (0.95 1.0 0.43 0.02) = 11.231% kept HA ALA 120 - HN SER 117 10.000% * 11.1308% (0.92 1.0 0.44 2.25) = 11.131% kept HA LYS+ 121 - HN SER 117 10.000% * 1.0483% (0.44 1.0 0.09 0.02) = 1.048% kept QB SER 85 - HN SER 117 10.000% * 0.5237% (0.95 1.0 0.02 0.02) = 0.524% HA LYS+ 65 - HN SER 117 10.000% * 0.4912% (0.89 1.0 0.02 0.02) = 0.491% QB SER 48 - HN SER 117 10.000% * 0.3742% (0.68 1.0 0.02 0.02) = 0.374% HB THR 94 - HN SER 117 10.000% * 0.2944% (0.53 1.0 0.02 0.02) = 0.294% HA2 GLY 51 - HN SER 117 10.000% * 0.1954% (0.35 1.0 0.02 0.02) = 0.195% HD2 PRO 52 - HN SER 117 10.000% * 0.1171% (0.21 1.0 0.02 0.02) = 0.117% Peak 617 (2.52, 8.66, 115.11 ppm): 4 chemical-shift based assignments, quality = 0.583, support = 3.53, residual support = 14.5: HG3 GLN 116 - HN SER 117 25.000% * 62.3941% (0.35 5.01 22.81) = 62.394% kept HG2 GLU- 25 - HN SER 117 25.000% * 37.2015% (0.97 1.09 0.61) = 37.202% kept HB3 TRP 87 - HN SER 117 25.000% * 0.3094% (0.44 0.02 0.02) = 0.309% HB3 PHE 95 - HN SER 117 25.000% * 0.0950% (0.14 0.02 0.02) = 0.095% Peak 618 (2.36, 8.66, 115.11 ppm): 5 chemical-shift based assignments, quality = 0.932, support = 3.87, residual support = 20.2: HB2 GLN 116 - HN SER 117 20.000% * 88.5925% (0.95 4.30 22.81) = 88.592% kept HB2 GLU- 100 - HN SER 117 20.000% * 10.6203% (0.85 0.57 0.02) = 10.620% kept HB3 PHE 97 - HN SER 117 20.000% * 0.4338% (1.00 0.02 0.02) = 0.434% HB2 PRO 58 - HN SER 117 20.000% * 0.2736% (0.63 0.02 0.02) = 0.274% QG GLU- 79 - HN SER 117 20.000% * 0.0798% (0.18 0.02 0.02) = 0.080% Peak 620 (2.53, 8.17, 116.99 ppm): 3 chemical-shift based assignments, quality = 0.635, support = 4.96, residual support = 75.6: HG2 GLN 116 - HN GLN 116 33.333% * 87.4902% (0.63 5.61 86.36) = 87.490% kept HG2 GLU- 25 - HN GLN 116 33.333% * 7.6297% (0.63 0.49 0.02) = 7.630% kept HB3 PHE 95 - HN GLN 116 33.333% * 4.8801% (0.73 0.27 0.12) = 4.880% kept Peak 621 (2.37, 8.17, 116.99 ppm): 6 chemical-shift based assignments, quality = 0.961, support = 5.41, residual support = 78.8: O HB2 GLN 116 - HN GLN 116 16.667% * 91.2417% (0.97 10.0 5.84 86.36) = 91.242% kept HB2 GLU- 100 - HN GLN 116 16.667% * 4.7608% (1.00 1.0 1.01 0.02) = 4.761% kept HB3 PHE 97 - HN GLN 116 16.667% * 2.6351% (0.85 1.0 0.66 0.02) = 2.635% kept HB2 PRO 58 - HN GLN 116 16.667% * 1.3062% (0.31 1.0 0.88 0.02) = 1.306% kept QG GLU- 79 - HN GLN 116 16.667% * 0.0414% (0.44 1.0 0.02 0.02) = 0.041% QG GLN 32 - HN GLN 116 16.667% * 0.0149% (0.16 1.0 0.02 0.02) = 0.015% Peak 622 (1.99, 8.17, 116.99 ppm): 7 chemical-shift based assignments, quality = 0.664, support = 5.81, residual support = 39.7: HB2 LEU 115 - HN GLN 116 14.286% * 63.8926% (0.73 7.14 60.56) = 63.893% kept QB GLU- 114 - HN GLN 116 14.286% * 29.4910% (0.58 4.11 3.50) = 29.491% kept HG2 PRO 68 - HN GLN 116 14.286% * 2.8765% (0.77 0.30 0.02) = 2.877% kept HB3 GLU- 25 - HN GLN 116 14.286% * 2.6975% (0.21 1.03 0.02) = 2.698% kept HG3 PRO 58 - HN GLN 116 14.286% * 0.8065% (0.77 0.08 0.02) = 0.807% HB ILE 19 - HN GLN 116 14.286% * 0.1673% (0.68 0.02 0.02) = 0.167% HB2 LEU 67 - HN GLN 116 14.286% * 0.0685% (0.28 0.02 0.02) = 0.069% Peak 623 (1.46, 8.17, 116.99 ppm): 9 chemical-shift based assignments, quality = 0.809, support = 7.0, residual support = 53.7: HB3 LEU 115 - HN GLN 116 11.111% * 51.0061% (0.97 7.35 60.56) = 51.006% kept HG LEU 115 - HN GLN 116 11.111% * 37.6801% (0.63 8.36 60.56) = 37.680% kept QB ALA 120 - HN GLN 116 11.111% * 6.2568% (0.63 1.39 0.02) = 6.257% kept HG LEU 40 - HN GLN 116 11.111% * 1.9164% (0.97 0.28 0.02) = 1.916% kept HG LEU 67 - HN GLN 116 11.111% * 1.7949% (1.00 0.25 0.02) = 1.795% kept HG LEU 73 - HN GLN 116 11.111% * 0.9000% (0.44 0.29 1.43) = 0.900% HB3 LEU 40 - HN GLN 116 11.111% * 0.3276% (0.35 0.13 0.02) = 0.328% HG2 LYS+ 102 - HN GLN 116 11.111% * 0.0832% (0.58 0.02 0.02) = 0.083% QG LYS+ 66 - HN GLN 116 11.111% * 0.0348% (0.24 0.02 0.02) = 0.035% Peak 624 (0.45, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.373, support = 6.76, residual support = 55.8: QD1 LEU 115 - HN GLN 116 50.000% * 92.1264% (0.35 7.31 60.56) = 92.126% kept QG1 VAL 75 - HN GLN 116 50.000% * 7.8736% (0.58 0.38 0.02) = 7.874% kept Peak 625 (0.58, 8.17, 116.99 ppm): 7 chemical-shift based assignments, quality = 0.611, support = 5.23, residual support = 29.8: QD2 LEU 115 - HN GLN 116 14.286% * 47.9738% (0.44 8.95 60.56) = 47.974% kept QD1 LEU 63 - HN GLN 116 14.286% * 24.2682% (0.85 2.33 1.87) = 24.268% kept QD1 LEU 73 - HN GLN 116 14.286% * 15.5440% (0.85 1.49 1.43) = 15.544% kept QD2 LEU 80 - HN GLN 116 14.286% * 7.6019% (0.40 1.58 0.15) = 7.602% kept QD2 LEU 63 - HN GLN 116 14.286% * 3.4306% (0.77 0.37 1.87) = 3.431% kept QD1 LEU 104 - HN GLN 116 14.286% * 1.1431% (0.18 0.51 0.02) = 1.143% kept QG2 VAL 41 - HN GLN 116 14.286% * 0.0385% (0.16 0.02 0.02) = 0.039% Peak 626 (1.03, 8.17, 116.99 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 1.23, residual support = 5.68: QD1 ILE 119 - HN GLN 116 25.000% * 62.3007% (0.63 1.67 9.02) = 62.301% kept QG2 VAL 108 - HN GLN 116 25.000% * 32.7220% (1.00 0.55 0.17) = 32.722% kept HG3 LYS+ 112 - HN GLN 116 25.000% * 3.8525% (0.24 0.27 0.02) = 3.852% kept HB2 LEU 104 - HN GLN 116 25.000% * 1.1248% (0.95 0.02 0.02) = 1.125% kept Peak 627 (3.45, 8.40, 122.87 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 1.34, residual support = 1.9: HB2 HIS 122 - HN LEU 115 33.333% * 63.5981% (1.00 1.54 2.28) = 63.598% kept HA LYS+ 112 - HN LEU 115 33.333% * 35.6947% (0.85 1.01 1.28) = 35.695% kept HB THR 46 - HN LEU 115 33.333% * 0.7072% (0.85 0.02 0.16) = 0.707% Peak 628 (2.34, 8.40, 122.87 ppm): 4 chemical-shift based assignments, quality = 0.548, support = 0.518, residual support = 0.295: HB2 PRO 58 - HN LEU 115 25.000% * 57.5205% (0.73 0.49 0.20) = 57.520% kept HB3 PHE 97 - HN LEU 115 25.000% * 27.1850% (0.21 0.80 0.64) = 27.185% kept HG3 GLU- 25 - HN LEU 115 25.000% * 10.9689% (0.53 0.13 0.02) = 10.969% kept HG2 PRO 52 - HN LEU 115 25.000% * 4.3257% (0.31 0.09 0.02) = 4.326% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 629 (1.99, 8.40, 122.87 ppm): 7 chemical-shift based assignments, quality = 0.7, support = 6.48, residual support = 144.9: O HB2 LEU 115 - HN LEU 115 14.286% * 80.1000% (0.73 10.0 7.00 175.92) = 80.100% kept QB GLU- 114 - HN LEU 115 14.286% * 16.5304% (0.58 1.0 5.15 24.27) = 16.530% kept HG3 PRO 58 - HN LEU 115 14.286% * 2.8318% (0.77 1.0 0.67 0.20) = 2.832% kept HB ILE 19 - HN LEU 115 14.286% * 0.3985% (0.68 1.0 0.11 0.02) = 0.399% HG2 PRO 68 - HN LEU 115 14.286% * 0.0851% (0.77 1.0 0.02 0.02) = 0.085% HB2 LEU 67 - HN LEU 115 14.286% * 0.0307% (0.28 1.0 0.02 0.02) = 0.031% HB3 GLU- 25 - HN LEU 115 14.286% * 0.0234% (0.21 1.0 0.02 0.02) = 0.023% Peak 630 (1.46, 8.40, 122.87 ppm): 9 chemical-shift based assignments, quality = 0.903, support = 6.92, residual support = 174.4: O HB3 LEU 115 - HN LEU 115 11.111% * 81.3410% (0.97 10.0 7.03 175.92) = 81.341% kept HG LEU 115 - HN LEU 115 11.111% * 17.7982% (0.63 1.0 6.74 175.92) = 17.798% kept QB ALA 120 - HN LEU 115 11.111% * 0.5600% (0.63 1.0 0.21 0.02) = 0.560% HG LEU 67 - HN LEU 115 11.111% * 0.0837% (1.00 1.0 0.02 0.02) = 0.084% HG LEU 40 - HN LEU 115 11.111% * 0.0813% (0.97 1.0 0.02 0.02) = 0.081% HG2 LYS+ 102 - HN LEU 115 11.111% * 0.0487% (0.58 1.0 0.02 0.02) = 0.049% HG LEU 73 - HN LEU 115 11.111% * 0.0369% (0.44 1.0 0.02 0.02) = 0.037% HB3 LEU 40 - HN LEU 115 11.111% * 0.0297% (0.35 1.0 0.02 0.02) = 0.030% QG LYS+ 66 - HN LEU 115 11.111% * 0.0204% (0.24 1.0 0.02 0.44) = 0.020% Peak 631 (1.14, 8.40, 122.87 ppm): 5 chemical-shift based assignments, quality = 0.637, support = 0.784, residual support = 1.17: QG2 VAL 107 - HN LEU 115 20.000% * 30.2807% (0.40 1.42 2.79) = 30.281% kept HG2 LYS+ 121 - HN LEU 115 20.000% * 22.3644% (0.68 0.61 0.15) = 22.364% kept HG13 ILE 119 - HN LEU 115 20.000% * 21.4306% (0.63 0.63 1.26) = 21.431% kept QB ALA 20 - HN LEU 115 20.000% * 19.1060% (1.00 0.36 0.02) = 19.106% kept HB3 LEU 31 - HN LEU 115 20.000% * 6.8183% (0.58 0.22 0.31) = 6.818% kept Peak 632 (0.61, 8.40, 122.87 ppm): 7 chemical-shift based assignments, quality = 0.523, support = 6.62, residual support = 151.4: QD2 LEU 115 - HN LEU 115 14.286% * 86.0475% (0.53 7.61 175.92) = 86.047% kept QD1 LEU 104 - HN LEU 115 14.286% * 3.8430% (0.85 0.21 0.02) = 3.843% kept QD1 LEU 63 - HN LEU 115 14.286% * 3.4800% (0.18 0.89 0.02) = 3.480% kept QD2 LEU 80 - HN LEU 115 14.286% * 3.1304% (0.58 0.25 0.22) = 3.130% kept QD1 LEU 73 - HN LEU 115 14.286% * 3.0184% (0.18 0.78 0.02) = 3.018% kept QG1 VAL 83 - HN LEU 115 14.286% * 0.3908% (0.92 0.02 0.02) = 0.391% QG2 ILE 89 - HN LEU 115 14.286% * 0.0900% (0.21 0.02 0.02) = 0.090% Peak 633 (0.45, 8.40, 122.87 ppm): 2 chemical-shift based assignments, quality = 0.74, support = 6.59, residual support = 163.4: QD1 LEU 115 - HN LEU 115 50.000% * 92.9067% (0.73 7.06 175.92) = 92.907% kept QG1 VAL 75 - HN LEU 115 50.000% * 7.0933% (0.92 0.42 0.02) = 7.093% kept Peak 634 (1.84, 8.62, 122.05 ppm): 11 chemical-shift based assignments, quality = 0.52, support = 6.6, residual support = 121.5: O HB ILE 103 - HN ILE 103 9.091% * 61.1293% (0.40 10.0 6.53 122.30) = 61.129% kept HG12 ILE 103 - HN ILE 103 9.091% * 38.2121% (0.73 1.0 6.83 122.30) = 38.212% kept HB3 PRO 52 - HN ILE 103 9.091% * 0.1498% (0.97 1.0 0.02 0.02) = 0.150% HG LEU 123 - HN ILE 103 9.091% * 0.1498% (0.97 1.0 0.02 0.02) = 0.150% HB VAL 41 - HN ILE 103 9.091% * 0.0823% (0.53 1.0 0.02 0.02) = 0.082% HG3 PRO 68 - HN ILE 103 9.091% * 0.0679% (0.44 1.0 0.02 0.02) = 0.068% HG2 ARG+ 54 - HN ILE 103 9.091% * 0.0547% (0.35 1.0 0.02 0.02) = 0.055% HB3 ASP- 105 - HN ILE 103 9.091% * 0.0485% (0.31 1.0 0.02 1.31) = 0.049% QB LYS+ 66 - HN ILE 103 9.091% * 0.0485% (0.31 1.0 0.02 0.02) = 0.049% QB LYS+ 33 - HN ILE 103 9.091% * 0.0328% (0.21 1.0 0.02 0.02) = 0.033% HB3 GLN 90 - HN ILE 103 9.091% * 0.0244% (0.16 1.0 0.02 0.86) = 0.024% Peak 635 (1.15, 8.62, 122.05 ppm): 4 chemical-shift based assignments, quality = 0.581, support = 5.15, residual support = 104.5: HG13 ILE 103 - HN ILE 103 25.000% * 85.4233% (0.53 5.99 122.30) = 85.423% kept HG2 LYS+ 121 - HN ILE 103 25.000% * 8.2487% (0.95 0.32 0.02) = 8.249% kept QB ALA 20 - HN ILE 103 25.000% * 3.5330% (0.53 0.25 0.02) = 3.533% kept QG2 VAL 107 - HN ILE 103 25.000% * 2.7950% (0.99 0.11 0.02) = 2.795% kept Peak 636 (0.98, 8.62, 122.05 ppm): 8 chemical-shift based assignments, quality = 0.836, support = 6.01, residual support = 109.7: QG2 ILE 103 - HN ILE 103 12.500% * 70.0568% (1.00 6.82 122.30) = 70.057% kept QD1 ILE 103 - HN ILE 103 12.500% * 19.6533% (0.31 6.07 122.30) = 19.653% kept QD2 LEU 40 - HN ILE 103 12.500% * 3.2913% (0.95 0.34 0.02) = 3.291% kept HG3 LYS+ 74 - HN ILE 103 12.500% * 2.7914% (0.97 0.28 0.02) = 2.791% kept QD2 LEU 71 - HN ILE 103 12.500% * 2.3307% (0.44 0.51 0.02) = 2.331% kept HB VAL 75 - HN ILE 103 12.500% * 1.6443% (0.28 0.58 0.02) = 1.644% kept QD1 LEU 67 - HN ILE 103 12.500% * 0.1996% (0.97 0.02 0.02) = 0.200% QG2 ILE 119 - HN ILE 103 12.500% * 0.0325% (0.16 0.02 0.02) = 0.033% Peak 637 (1.55, 9.38, 128.74 ppm): 7 chemical-shift based assignments, quality = 0.464, support = 4.72, residual support = 108.0: HG LEU 104 - HN LEU 104 14.286% * 60.7455% (0.31 7.13 177.31) = 60.745% kept HG2 LYS+ 106 - HN LEU 104 14.286% * 22.6322% (0.58 1.44 1.45) = 22.632% kept HG2 LYS+ 33 - HN LEU 104 14.286% * 12.6689% (0.99 0.47 0.02) = 12.669% kept HD3 LYS+ 74 - HN LEU 104 14.286% * 3.1774% (0.49 0.24 0.18) = 3.177% kept QG LYS+ 81 - HN LEU 104 14.286% * 0.3672% (0.68 0.02 0.13) = 0.367% HB3 LYS+ 111 - HN LEU 104 14.286% * 0.2384% (0.44 0.02 0.02) = 0.238% HB3 LYS+ 121 - HN LEU 104 14.286% * 0.1704% (0.31 0.02 0.02) = 0.170% Peak 638 (1.00, 9.38, 128.74 ppm): 6 chemical-shift based assignments, quality = 0.512, support = 3.45, residual support = 17.0: QG2 ILE 103 - HN LEU 104 16.667% * 49.1759% (0.21 6.07 33.92) = 49.176% kept HB VAL 75 - HN LEU 104 16.667% * 37.0015% (0.99 0.98 0.33) = 37.002% kept QD1 ILE 119 - HN LEU 104 16.667% * 10.8175% (0.35 0.80 1.51) = 10.817% kept HG3 LYS+ 74 - HN LEU 104 16.667% * 2.4943% (0.14 0.48 0.18) = 2.494% kept QD2 LEU 40 - HN LEU 104 16.667% * 0.2705% (0.35 0.02 0.02) = 0.271% QD1 LEU 67 - HN LEU 104 16.667% * 0.2403% (0.31 0.02 0.02) = 0.240% Peak 639 (0.72, 9.38, 128.74 ppm): 4 chemical-shift based assignments, quality = 0.673, support = 6.24, residual support = 117.8: QD2 LEU 104 - HN LEU 104 25.000% * 64.4847% (0.73 7.24 177.31) = 64.485% kept QD1 LEU 98 - HN LEU 104 25.000% * 33.5073% (0.58 4.69 10.38) = 33.507% kept QD1 ILE 19 - HN LEU 104 25.000% * 1.8008% (0.53 0.27 0.02) = 1.801% kept QG2 THR 46 - HN LEU 104 25.000% * 0.2071% (0.18 0.09 0.02) = 0.207% Peak 640 (3.00, 7.80, 116.22 ppm): 6 chemical-shift based assignments, quality = 0.547, support = 6.02, residual support = 31.5: HB2 PHE 97 - HN ASP- 105 16.667% * 64.0194% (0.58 7.83 46.07) = 64.019% kept HB3 TRP 27 - HN ASP- 105 16.667% * 16.5114% (0.63 1.86 0.83) = 16.511% kept QE LYS+ 106 - HN ASP- 105 16.667% * 11.1544% (0.14 5.87 16.97) = 11.154% kept QE LYS+ 99 - HN ASP- 105 16.667% * 5.6580% (0.85 0.47 0.02) = 5.658% kept QE LYS+ 102 - HN ASP- 105 16.667% * 2.5068% (0.28 0.64 0.02) = 2.507% kept QE LYS+ 38 - HN ASP- 105 16.667% * 0.1500% (0.53 0.02 0.02) = 0.150% Peak 641 (2.37, 7.80, 116.22 ppm): 6 chemical-shift based assignments, quality = 0.85, support = 4.7, residual support = 43.8: HB3 PHE 97 - HN ASP- 105 16.667% * 95.0030% (0.85 4.94 46.07) = 95.003% kept HB2 GLU- 100 - HN ASP- 105 16.667% * 2.0652% (1.00 0.09 0.02) = 2.065% kept HB2 GLN 116 - HN ASP- 105 16.667% * 1.7799% (0.97 0.08 0.02) = 1.780% kept QG GLN 32 - HN ASP- 105 16.667% * 0.8117% (0.16 0.23 0.02) = 0.812% QG GLU- 79 - HN ASP- 105 16.667% * 0.1984% (0.44 0.02 0.02) = 0.198% HB2 PRO 58 - HN ASP- 105 16.667% * 0.1418% (0.31 0.02 0.02) = 0.142% Peak 642 (2.24, 7.80, 116.22 ppm): 8 chemical-shift based assignments, quality = 0.718, support = 3.99, residual support = 33.5: O HB2 ASP- 105 - HN ASP- 105 12.500% * 96.9591% (0.73 10.0 4.10 34.51) = 96.959% kept HG12 ILE 119 - HN ASP- 105 12.500% * 2.4520% (0.58 1.0 0.63 0.02) = 2.452% kept HG2 GLU- 100 - HN ASP- 105 12.500% * 0.2173% (0.35 1.0 0.09 0.02) = 0.217% HG3 MET 92 - HN ASP- 105 12.500% * 0.1335% (1.00 1.0 0.02 0.02) = 0.134% HB2 GLU- 29 - HN ASP- 105 12.500% * 0.1297% (0.97 1.0 0.02 0.02) = 0.130% HB3 ASP- 76 - HN ASP- 105 12.500% * 0.0589% (0.44 1.0 0.02 0.02) = 0.059% QG GLN 90 - HN ASP- 105 12.500% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% HB3 PHE 72 - HN ASP- 105 12.500% * 0.0211% (0.16 1.0 0.02 0.02) = 0.021% Peak 643 (1.87, 7.80, 116.22 ppm): 12 chemical-shift based assignments, quality = 0.741, support = 3.81, residual support = 27.6: O HB3 ASP- 105 - HN ASP- 105 8.333% * 68.8093% (0.68 10.0 3.89 34.51) = 68.809% kept QB LYS+ 106 - HN ASP- 105 8.333% * 22.3870% (0.97 1.0 4.55 16.97) = 22.387% kept HB ILE 103 - HN ASP- 105 8.333% * 5.0194% (0.58 1.0 1.70 1.31) = 5.019% kept QB LYS+ 33 - HN ASP- 105 8.333% * 3.2683% (0.81 1.0 0.79 0.21) = 3.268% kept QB LYS+ 81 - HN ASP- 105 8.333% * 0.0963% (0.95 1.0 0.02 0.02) = 0.096% HB3 GLN 90 - HN ASP- 105 8.333% * 0.0903% (0.89 1.0 0.02 0.02) = 0.090% HB ILE 56 - HN ASP- 105 8.333% * 0.0826% (0.81 1.0 0.02 0.02) = 0.083% HB3 LYS+ 38 - HN ASP- 105 8.333% * 0.0639% (0.63 1.0 0.02 0.02) = 0.064% HG2 ARG+ 54 - HN ASP- 105 8.333% * 0.0639% (0.63 1.0 0.02 0.02) = 0.064% HG3 PRO 68 - HN ASP- 105 8.333% * 0.0541% (0.53 1.0 0.02 0.02) = 0.054% HB3 GLN 30 - HN ASP- 105 8.333% * 0.0402% (0.40 1.0 0.02 0.02) = 0.040% HB2 MET 92 - HN ASP- 105 8.333% * 0.0247% (0.24 1.0 0.02 0.02) = 0.025% Peak 644 (1.55, 7.80, 116.22 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 3.61, residual support = 13.9: HG2 LYS+ 106 - HN ASP- 105 14.286% * 40.5411% (0.58 3.95 16.97) = 40.541% kept HG LEU 104 - HN ASP- 105 14.286% * 31.3827% (0.31 5.65 22.25) = 31.383% kept HG2 LYS+ 33 - HN ASP- 105 14.286% * 17.8424% (0.99 1.03 0.21) = 17.842% kept HD3 LYS+ 74 - HN ASP- 105 14.286% * 5.7338% (0.49 0.67 0.02) = 5.734% kept QG LYS+ 81 - HN ASP- 105 14.286% * 4.2334% (0.68 0.35 0.02) = 4.233% kept HB3 LYS+ 111 - HN ASP- 105 14.286% * 0.1554% (0.44 0.02 0.02) = 0.155% HB3 LYS+ 121 - HN ASP- 105 14.286% * 0.1111% (0.31 0.02 0.02) = 0.111% Peak 645 (1.00, 7.80, 116.22 ppm): 6 chemical-shift based assignments, quality = 0.608, support = 0.971, residual support = 0.576: HB VAL 75 - HN ASP- 105 16.667% * 48.2845% (0.99 0.61 0.30) = 48.284% kept QG2 ILE 103 - HN ASP- 105 16.667% * 32.4985% (0.21 1.91 1.31) = 32.498% kept QD2 LEU 40 - HN ASP- 105 16.667% * 9.8586% (0.35 0.35 0.02) = 9.859% kept QD1 ILE 119 - HN ASP- 105 16.667% * 7.0460% (0.35 0.25 0.02) = 7.046% kept HG3 LYS+ 74 - HN ASP- 105 16.667% * 1.8083% (0.14 0.17 0.02) = 1.808% kept QD1 LEU 67 - HN ASP- 105 16.667% * 0.5042% (0.31 0.02 0.02) = 0.504% Peak 646 (2.24, 8.97, 118.18 ppm): 7 chemical-shift based assignments, quality = 0.915, support = 2.84, residual support = 15.7: HB2 ASP- 105 - HN LYS+ 106 14.286% * 92.6067% (0.97 3.03 16.97) = 92.607% kept HG12 ILE 119 - HN LYS+ 106 14.286% * 5.3679% (0.28 0.61 0.35) = 5.368% kept HG3 MET 92 - HN LYS+ 106 14.286% * 0.5384% (0.85 0.02 0.02) = 0.538% HB3 ASP- 76 - HN LYS+ 106 14.286% * 0.4860% (0.77 0.02 0.02) = 0.486% HB2 GLU- 29 - HN LYS+ 106 14.286% * 0.4574% (0.73 0.02 0.02) = 0.457% HG2 GLU- 100 - HN LYS+ 106 14.286% * 0.4276% (0.68 0.02 0.02) = 0.428% HB2 MET 96 - HN LYS+ 106 14.286% * 0.1159% (0.18 0.02 2.07) = 0.116% Peak 647 (1.87, 8.97, 118.18 ppm): 12 chemical-shift based assignments, quality = 0.933, support = 4.26, residual support = 89.9: O QB LYS+ 106 - HN LYS+ 106 8.333% * 88.0220% (0.97 10.0 4.37 99.98) = 88.022% kept HB3 ASP- 105 - HN LYS+ 106 8.333% * 11.3901% (0.68 1.0 3.70 16.97) = 11.390% kept QB LYS+ 81 - HN LYS+ 106 8.333% * 0.0861% (0.95 1.0 0.02 0.02) = 0.086% HB3 GLN 90 - HN LYS+ 106 8.333% * 0.0807% (0.89 1.0 0.02 0.02) = 0.081% HB ILE 56 - HN LYS+ 106 8.333% * 0.0738% (0.81 1.0 0.02 0.02) = 0.074% QB LYS+ 33 - HN LYS+ 106 8.333% * 0.0738% (0.81 1.0 0.02 0.02) = 0.074% HB3 LYS+ 38 - HN LYS+ 106 8.333% * 0.0571% (0.63 1.0 0.02 0.02) = 0.057% HG2 ARG+ 54 - HN LYS+ 106 8.333% * 0.0571% (0.63 1.0 0.02 0.02) = 0.057% HB ILE 103 - HN LYS+ 106 8.333% * 0.0528% (0.58 1.0 0.02 0.02) = 0.053% HG3 PRO 68 - HN LYS+ 106 8.333% * 0.0484% (0.53 1.0 0.02 0.02) = 0.048% HB3 GLN 30 - HN LYS+ 106 8.333% * 0.0359% (0.40 1.0 0.02 0.02) = 0.036% HB2 MET 92 - HN LYS+ 106 8.333% * 0.0221% (0.24 1.0 0.02 0.02) = 0.022% Peak 650 (0.25, 8.97, 118.18 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 1.77, residual support = 2.64: QG2 THR 118 - HN LYS+ 106 100.000% *100.0000% (0.40 1.77 2.64) = 100.000% kept Peak 651 (3.20, 9.57, 125.50 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 2.18, residual support = 29.2: HB2 PHE 95 - HN VAL 107 100.000% *100.0000% (1.00 2.18 29.22) = 100.000% kept Peak 652 (2.41, 9.57, 125.50 ppm): 5 chemical-shift based assignments, quality = 0.983, support = 3.29, residual support = 50.2: O HB VAL 107 - HN VAL 107 20.000% * 99.5744% (0.99 10.0 3.30 50.44) = 99.574% kept QE LYS+ 112 - HN VAL 107 20.000% * 0.2835% (0.58 1.0 0.10 0.02) = 0.284% HB3 PHE 45 - HN VAL 107 20.000% * 0.0587% (0.58 1.0 0.02 0.02) = 0.059% QG GLN 32 - HN VAL 107 20.000% * 0.0587% (0.58 1.0 0.02 0.02) = 0.059% QG GLU- 79 - HN VAL 107 20.000% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% Peak 653 (1.88, 9.57, 125.50 ppm): 10 chemical-shift based assignments, quality = 0.408, support = 3.62, residual support = 17.0: QB LYS+ 106 - HN VAL 107 10.000% * 80.8364% (0.40 4.36 21.07) = 80.836% kept HB3 GLN 30 - HN VAL 107 10.000% * 8.0028% (0.97 0.18 0.02) = 8.003% kept HB3 ASP- 105 - HN VAL 107 10.000% * 7.2266% (0.14 1.14 0.02) = 7.227% kept HB3 LYS+ 38 - HN VAL 107 10.000% * 0.9227% (0.99 0.02 0.02) = 0.923% HB ILE 56 - HN VAL 107 10.000% * 0.8329% (0.89 0.02 0.02) = 0.833% HB2 MET 92 - HN VAL 107 10.000% * 0.7990% (0.85 0.02 0.02) = 0.799% HB3 PRO 58 - HN VAL 107 10.000% * 0.5895% (0.63 0.02 0.02) = 0.590% QB LYS+ 81 - HN VAL 107 10.000% * 0.3314% (0.35 0.02 0.02) = 0.331% HB3 GLN 90 - HN VAL 107 10.000% * 0.2599% (0.28 0.02 0.02) = 0.260% QB LYS+ 33 - HN VAL 107 10.000% * 0.1986% (0.21 0.02 0.02) = 0.199% Peak 654 (1.12, 9.57, 125.50 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 0.0779, residual support = 0.02: HG13 ILE 119 - HN VAL 107 16.667% * 36.7981% (0.99 0.08 0.02) = 36.798% kept HB3 LEU 31 - HN VAL 107 16.667% * 36.5926% (1.00 0.08 0.02) = 36.593% kept HD3 LYS+ 112 - HN VAL 107 16.667% * 17.9471% (0.49 0.08 0.02) = 17.947% kept QB ALA 20 - HN VAL 107 16.667% * 4.3171% (0.49 0.02 0.02) = 4.317% kept QG1 VAL 24 - HN VAL 107 16.667% * 3.1449% (0.35 0.02 0.02) = 3.145% kept HG2 LYS+ 121 - HN VAL 107 16.667% * 1.2003% (0.14 0.02 0.02) = 1.200% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 655 (2.05, 9.14, 128.89 ppm): 8 chemical-shift based assignments, quality = 0.916, support = 3.84, residual support = 55.4: O HB VAL 108 - HN VAL 108 12.500% * 98.3136% (0.92 10.0 3.90 56.36) = 98.314% kept HB ILE 119 - HN VAL 108 12.500% * 1.3023% (0.68 1.0 0.36 0.02) = 1.302% kept HB2 ARG+ 54 - HN VAL 108 12.500% * 0.1035% (0.97 1.0 0.02 0.02) = 0.103% HB2 PRO 93 - HN VAL 108 12.500% * 0.0983% (0.92 1.0 0.02 0.02) = 0.098% HB2 GLN 30 - HN VAL 108 12.500% * 0.0723% (0.68 1.0 0.02 0.02) = 0.072% HB3 GLU- 100 - HN VAL 108 12.500% * 0.0620% (0.58 1.0 0.02 0.02) = 0.062% HG3 GLN 30 - HN VAL 108 12.500% * 0.0335% (0.31 1.0 0.02 0.02) = 0.034% HG2 MET 11 - HN VAL 108 12.500% * 0.0144% (0.14 1.0 0.02 0.02) = 0.014% Peak 656 (1.13, 9.14, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.456, support = 1.68, residual support = 5.04: QG2 VAL 107 - HN VAL 108 14.286% * 57.0028% (0.16 2.84 8.83) = 57.003% kept HB3 LEU 31 - HN VAL 108 14.286% * 19.9067% (0.89 0.18 0.02) = 19.907% kept HG13 ILE 119 - HN VAL 108 14.286% * 13.3127% (0.92 0.11 0.02) = 13.313% kept QB ALA 20 - HN VAL 108 14.286% * 7.9974% (0.81 0.08 0.02) = 7.997% kept HG2 LYS+ 121 - HN VAL 108 14.286% * 0.8988% (0.35 0.02 0.02) = 0.899% HD3 LYS+ 112 - HN VAL 108 14.286% * 0.5386% (0.21 0.02 0.02) = 0.539% QG1 VAL 24 - HN VAL 108 14.286% * 0.3430% (0.14 0.02 0.02) = 0.343% Peak 658 (1.07, 9.14, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 0.206, residual support = 0.02: HG3 LYS+ 112 - HN VAL 108 33.333% * 76.6431% (0.49 0.26 0.02) = 76.643% kept QG2 VAL 24 - HN VAL 108 33.333% * 11.9773% (1.00 0.02 0.02) = 11.977% kept HG LEU 63 - HN VAL 108 33.333% * 11.3795% (0.95 0.02 0.02) = 11.380% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 659 (3.73, 9.10, 128.88 ppm): 4 chemical-shift based assignments, quality = 0.576, support = 3.55, residual support = 16.6: O HA VAL 75 - HN ASP- 76 25.000% * 97.5261% (0.58 10.0 3.62 17.04) = 97.526% kept HD2 PRO 68 - HN ASP- 76 25.000% * 2.2271% (0.35 1.0 0.75 0.02) = 2.227% kept HD3 PRO 58 - HN ASP- 76 25.000% * 0.1493% (0.89 1.0 0.02 0.02) = 0.149% HA ALA 61 - HN ASP- 76 25.000% * 0.0975% (0.58 1.0 0.02 0.02) = 0.098% Peak 660 (2.90, 9.10, 128.88 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 3.43, residual support = 22.8: O HB2 ASP- 76 - HN ASP- 76 33.333% * 96.4819% (1.00 10.0 3.51 23.40) = 96.482% kept HB2 ASP- 78 - HN ASP- 76 33.333% * 3.4244% (0.63 1.0 1.13 5.31) = 3.424% kept HB2 ASN 69 - HN ASP- 76 33.333% * 0.0937% (0.97 1.0 0.02 0.02) = 0.094% Peak 661 (2.25, 9.10, 128.88 ppm): 10 chemical-shift based assignments, quality = 0.178, support = 3.27, residual support = 21.3: O HB3 ASP- 76 - HN ASP- 76 10.000% * 91.0884% (0.16 10.0 3.57 23.40) = 91.088% kept QG GLN 90 - HN ASP- 76 10.000% * 6.4154% (0.53 1.0 0.42 0.02) = 6.415% kept HB2 GLU- 29 - HN ASP- 76 10.000% * 0.5311% (0.92 1.0 0.02 0.02) = 0.531% HG12 ILE 119 - HN ASP- 76 10.000% * 0.5311% (0.92 1.0 0.02 0.02) = 0.531% HG3 MET 92 - HN ASP- 76 10.000% * 0.4688% (0.81 1.0 0.02 0.02) = 0.469% HB3 PHE 72 - HN ASP- 76 10.000% * 0.2536% (0.44 1.0 0.02 0.02) = 0.254% HB2 ASP- 105 - HN ASP- 76 10.000% * 0.2040% (0.35 1.0 0.02 0.02) = 0.204% QG GLU- 14 - HN ASP- 76 10.000% * 0.2040% (0.35 1.0 0.02 0.02) = 0.204% HB2 ASP- 44 - HN ASP- 76 10.000% * 0.1812% (0.31 1.0 0.02 0.02) = 0.181% QG GLU- 15 - HN ASP- 76 10.000% * 0.1223% (0.21 1.0 0.02 0.02) = 0.122% Peak 662 (0.45, 9.10, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.58, support = 3.82, residual support = 17.0: QG1 VAL 75 - HN ASP- 76 50.000% * 99.6833% (0.58 3.83 17.04) = 99.683% kept QD1 LEU 115 - HN ASP- 76 50.000% * 0.3167% (0.35 0.02 0.02) = 0.317% Peak 663 (0.13, 9.10, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.968, support = 3.41, residual support = 16.5: QG2 VAL 75 - HN ASP- 76 50.000% * 96.7944% (0.97 3.52 17.04) = 96.794% kept QG2 VAL 42 - HN ASP- 76 50.000% * 3.2056% (0.85 0.13 0.02) = 3.206% kept Peak 664 (3.69, 8.60, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.33, support = 2.05, residual support = 8.94: O HA2 GLY 109 - HN GLY 109 16.667% * 99.2137% (0.33 10.0 2.07 9.01) = 99.214% kept HA ILE 119 - HN GLY 109 16.667% * 0.2139% (0.72 1.0 0.02 0.02) = 0.214% HB2 TRP 49 - HN GLY 109 16.667% * 0.2006% (0.67 1.0 0.02 0.02) = 0.201% HA THR 118 - HN GLY 109 16.667% * 0.1834% (0.62 1.0 0.02 0.02) = 0.183% HA ALA 84 - HN GLY 109 16.667% * 0.1528% (0.51 1.0 0.02 0.02) = 0.153% HA VAL 75 - HN GLY 109 16.667% * 0.0356% (0.12 1.0 0.02 0.02) = 0.036% Peak 666 (1.22, 8.60, 114.88 ppm): 7 chemical-shift based assignments, quality = 0.391, support = 0.641, residual support = 0.993: HG2 LYS+ 74 - HN GLY 109 14.286% * 85.1023% (0.37 0.75 1.16) = 85.102% kept HG12 ILE 89 - HN GLY 109 14.286% * 4.4296% (0.72 0.02 0.02) = 4.430% kept HG3 LYS+ 111 - HN GLY 109 14.286% * 4.1550% (0.67 0.02 0.02) = 4.155% kept HG LEU 71 - HN GLY 109 14.286% * 2.4901% (0.40 0.02 0.02) = 2.490% kept HG3 LYS+ 99 - HN GLY 109 14.286% * 2.0551% (0.33 0.02 0.02) = 2.055% kept HG13 ILE 19 - HN GLY 109 14.286% * 1.1369% (0.18 0.02 0.02) = 1.137% kept HB3 LEU 71 - HN GLY 109 14.286% * 0.6310% (0.10 0.02 0.02) = 0.631% Peak 667 (0.90, 8.60, 114.88 ppm): 4 chemical-shift based assignments, quality = 0.61, support = 3.0, residual support = 3.67: QG1 VAL 108 - HN GLY 109 25.000% * 99.1365% (0.62 3.02 3.70) = 99.137% kept QD1 LEU 40 - HN GLY 109 25.000% * 0.4687% (0.44 0.02 0.02) = 0.469% QD2 LEU 67 - HN GLY 109 25.000% * 0.2238% (0.21 0.02 0.02) = 0.224% HB3 LEU 63 - HN GLY 109 25.000% * 0.1710% (0.16 0.02 0.02) = 0.171% Peak 668 (3.69, 8.75, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.437, support = 1.87, residual support = 5.31: O HA2 GLY 109 - HN ALA 110 16.667% * 99.1648% (0.44 10.0 1.88 5.36) = 99.165% kept HA ILE 119 - HN ALA 110 16.667% * 0.2271% (0.95 1.0 0.02 0.02) = 0.227% HB2 TRP 49 - HN ALA 110 16.667% * 0.2131% (0.89 1.0 0.02 0.02) = 0.213% HA THR 118 - HN ALA 110 16.667% * 0.1948% (0.81 1.0 0.02 0.02) = 0.195% HA ALA 84 - HN ALA 110 16.667% * 0.1623% (0.68 1.0 0.02 0.02) = 0.162% HA VAL 75 - HN ALA 110 16.667% * 0.0378% (0.16 1.0 0.02 0.02) = 0.038% Peak 669 (1.84, 8.75, 122.21 ppm): 11 chemical-shift based assignments, quality = 0.852, support = 0.617, residual support = 0.0476: HB3 PRO 52 - HN ALA 110 9.091% * 63.9100% (0.97 0.75 0.02) = 63.910% kept HG12 ILE 103 - HN ALA 110 9.091% * 29.6026% (0.73 0.46 0.12) = 29.603% kept HG LEU 123 - HN ALA 110 9.091% * 1.7043% (0.97 0.02 0.02) = 1.704% kept HB VAL 41 - HN ALA 110 9.091% * 0.9368% (0.53 0.02 0.02) = 0.937% HG3 PRO 68 - HN ALA 110 9.091% * 0.7732% (0.44 0.02 0.02) = 0.773% HB ILE 103 - HN ALA 110 9.091% * 0.6957% (0.40 0.02 0.12) = 0.696% HG2 ARG+ 54 - HN ALA 110 9.091% * 0.6220% (0.35 0.02 0.02) = 0.622% HB3 ASP- 105 - HN ALA 110 9.091% * 0.5525% (0.31 0.02 0.02) = 0.553% QB LYS+ 66 - HN ALA 110 9.091% * 0.5525% (0.31 0.02 0.02) = 0.553% QB LYS+ 33 - HN ALA 110 9.091% * 0.3727% (0.21 0.02 0.02) = 0.373% HB3 GLN 90 - HN ALA 110 9.091% * 0.2777% (0.16 0.02 0.02) = 0.278% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 670 (1.44, 8.75, 122.21 ppm): 11 chemical-shift based assignments, quality = 0.581, support = 2.13, residual support = 6.56: O QB ALA 110 - HN ALA 110 9.091% * 97.7613% (0.58 10.0 2.18 6.71) = 97.761% kept HG LEU 73 - HN ALA 110 9.091% * 1.3325% (0.85 1.0 0.19 0.02) = 1.333% kept QG LYS+ 66 - HN ALA 110 9.091% * 0.1658% (0.99 1.0 0.02 0.02) = 0.166% HB3 LEU 67 - HN ALA 110 9.091% * 0.1631% (0.97 1.0 0.02 0.02) = 0.163% QB ALA 61 - HN ALA 110 9.091% * 0.1435% (0.85 1.0 0.02 0.02) = 0.144% HG2 LYS+ 102 - HN ALA 110 9.091% * 0.1219% (0.73 1.0 0.02 0.02) = 0.122% HG LEU 80 - HN ALA 110 9.091% * 0.1059% (0.63 1.0 0.02 0.02) = 0.106% HG12 ILE 19 - HN ALA 110 9.091% * 0.0817% (0.49 1.0 0.02 0.02) = 0.082% HB3 LEU 115 - HN ALA 110 9.091% * 0.0467% (0.28 1.0 0.02 0.02) = 0.047% HG LEU 40 - HN ALA 110 9.091% * 0.0467% (0.28 1.0 0.02 0.02) = 0.047% HG LEU 67 - HN ALA 110 9.091% * 0.0309% (0.18 1.0 0.02 0.02) = 0.031% Peak 671 (2.02, 7.58, 125.75 ppm): 12 chemical-shift based assignments, quality = 0.991, support = 6.29, residual support = 277.2: O HB2 LYS+ 111 - HN LYS+ 111 8.333% * 99.4592% (1.00 10.0 6.33 278.71) = 99.459% kept HB2 GLN 17 - HN LYS+ 111 8.333% * 0.0969% (0.97 1.0 0.02 0.02) = 0.097% QB GLU- 15 - HN LYS+ 111 8.333% * 0.0969% (0.97 1.0 0.02 0.02) = 0.097% HB3 PRO 68 - HN LYS+ 111 8.333% * 0.0853% (0.85 1.0 0.02 0.02) = 0.085% HB3 GLU- 25 - HN LYS+ 111 8.333% * 0.0813% (0.81 1.0 0.02 0.02) = 0.081% QB GLU- 114 - HN LYS+ 111 8.333% * 0.0396% (0.40 1.0 0.02 0.49) = 0.040% HG3 GLN 30 - HN LYS+ 111 8.333% * 0.0396% (0.40 1.0 0.02 0.02) = 0.040% HB ILE 19 - HN LYS+ 111 8.333% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HG2 PRO 68 - HN LYS+ 111 8.333% * 0.0243% (0.24 1.0 0.02 0.02) = 0.024% HB3 GLU- 100 - HN LYS+ 111 8.333% * 0.0184% (0.18 1.0 0.02 0.02) = 0.018% HB ILE 119 - HN LYS+ 111 8.333% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% HB2 GLN 30 - HN LYS+ 111 8.333% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% Peak 672 (1.52, 7.58, 125.75 ppm): 9 chemical-shift based assignments, quality = 0.887, support = 4.59, residual support = 269.9: O HB3 LYS+ 111 - HN LYS+ 111 11.111% * 96.8391% (0.89 10.0 4.73 278.71) = 96.839% kept HB3 LYS+ 121 - HN LYS+ 111 11.111% * 2.4763% (0.97 1.0 0.47 0.28) = 2.476% kept HD3 LYS+ 74 - HN LYS+ 111 11.111% * 0.4124% (0.85 1.0 0.09 0.02) = 0.412% HG LEU 104 - HN LYS+ 111 11.111% * 0.1056% (0.97 1.0 0.02 0.02) = 0.106% QD LYS+ 66 - HN LYS+ 111 11.111% * 0.0789% (0.73 1.0 0.02 0.02) = 0.079% HD2 LYS+ 121 - HN LYS+ 111 11.111% * 0.0302% (0.28 1.0 0.02 0.28) = 0.030% HG2 LYS+ 65 - HN LYS+ 111 11.111% * 0.0231% (0.21 1.0 0.02 0.02) = 0.023% QG2 THR 26 - HN LYS+ 111 11.111% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% HG2 LYS+ 33 - HN LYS+ 111 11.111% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 673 (1.22, 7.58, 125.75 ppm): 7 chemical-shift based assignments, quality = 0.882, support = 5.76, residual support = 275.7: HG3 LYS+ 111 - HN LYS+ 111 14.286% * 98.9358% (0.89 5.82 278.71) = 98.936% kept HG12 ILE 89 - HN LYS+ 111 14.286% * 0.3623% (0.95 0.02 0.61) = 0.362% HG LEU 71 - HN LYS+ 111 14.286% * 0.2037% (0.53 0.02 0.02) = 0.204% HG2 LYS+ 74 - HN LYS+ 111 14.286% * 0.1856% (0.49 0.02 0.02) = 0.186% HG3 LYS+ 99 - HN LYS+ 111 14.286% * 0.1681% (0.44 0.02 0.02) = 0.168% HG13 ILE 19 - HN LYS+ 111 14.286% * 0.0930% (0.24 0.02 0.02) = 0.093% HB3 LEU 71 - HN LYS+ 111 14.286% * 0.0516% (0.14 0.02 0.02) = 0.052% Peak 674 (0.80, 7.58, 125.75 ppm): 5 chemical-shift based assignments, quality = 0.713, support = 1.29, residual support = 0.539: QD1 ILE 56 - HN LYS+ 111 20.000% * 50.9740% (0.68 1.73 0.84) = 50.974% kept HG3 LYS+ 121 - HN LYS+ 111 20.000% * 32.8688% (0.95 0.80 0.28) = 32.869% kept QD2 LEU 73 - HN LYS+ 111 20.000% * 14.7286% (0.35 0.96 0.13) = 14.729% kept HG LEU 31 - HN LYS+ 111 20.000% * 1.2440% (0.21 0.13 0.02) = 1.244% kept QD2 LEU 123 - HN LYS+ 111 20.000% * 0.1846% (0.21 0.02 0.02) = 0.185% Peak 675 (3.46, 8.49, 124.18 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 5.63, residual support = 198.2: O HA LYS+ 112 - HN LYS+ 112 25.000% * 99.4999% (0.81 10.0 5.66 199.22) = 99.500% kept HB2 HIS 122 - HN LYS+ 112 25.000% * 0.4576% (0.49 1.0 0.15 0.02) = 0.458% HB THR 46 - HN LYS+ 112 25.000% * 0.0259% (0.21 1.0 0.02 0.64) = 0.026% HB2 HIS 22 - HN LYS+ 112 25.000% * 0.0165% (0.14 1.0 0.02 0.35) = 0.017% Peak 676 (2.02, 8.49, 124.18 ppm): 11 chemical-shift based assignments, quality = 0.797, support = 6.35, residual support = 25.0: HB2 LYS+ 111 - HN LYS+ 112 9.091% * 97.2169% (0.81 6.53 25.68) = 97.217% kept HB3 GLU- 25 - HN LYS+ 112 9.091% * 1.0858% (0.49 0.12 0.02) = 1.086% kept HB3 PRO 68 - HN LYS+ 112 9.091% * 0.3654% (1.00 0.02 0.02) = 0.365% HG3 GLN 30 - HN LYS+ 112 9.091% * 0.2653% (0.73 0.02 0.02) = 0.265% HB2 GLN 17 - HN LYS+ 112 9.091% * 0.2653% (0.73 0.02 0.02) = 0.265% QB GLU- 15 - HN LYS+ 112 9.091% * 0.2653% (0.73 0.02 0.02) = 0.265% HB3 GLU- 100 - HN LYS+ 112 9.091% * 0.1611% (0.44 0.02 0.02) = 0.161% HB ILE 119 - HN LYS+ 112 9.091% * 0.1296% (0.35 0.02 0.02) = 0.130% HB2 GLN 30 - HN LYS+ 112 9.091% * 0.1296% (0.35 0.02 0.02) = 0.130% HB VAL 108 - HN LYS+ 112 9.091% * 0.0578% (0.16 0.02 0.02) = 0.058% QB GLU- 114 - HN LYS+ 112 9.091% * 0.0578% (0.16 0.02 1.19) = 0.058% Peak 677 (1.39, 8.49, 124.18 ppm): 12 chemical-shift based assignments, quality = 0.679, support = 5.38, residual support = 189.1: O HB2 LYS+ 112 - HN LYS+ 112 8.333% * 94.8686% (0.68 10.0 5.64 199.22) = 94.869% kept HB3 LEU 73 - HN LYS+ 112 8.333% * 4.2694% (0.81 1.0 0.75 2.51) = 4.269% kept HG3 LYS+ 33 - HN LYS+ 112 8.333% * 0.1328% (0.95 1.0 0.02 0.02) = 0.133% QB ALA 12 - HN LYS+ 112 8.333% * 0.1245% (0.89 1.0 0.02 0.02) = 0.125% HB VAL 42 - HN LYS+ 112 8.333% * 0.1245% (0.89 1.0 0.02 0.02) = 0.125% HG3 LYS+ 65 - HN LYS+ 112 8.333% * 0.1245% (0.89 1.0 0.02 0.02) = 0.125% HG3 LYS+ 102 - HN LYS+ 112 8.333% * 0.1078% (0.77 1.0 0.02 0.02) = 0.108% QB LEU 98 - HN LYS+ 112 8.333% * 0.0814% (0.58 1.0 0.02 0.02) = 0.081% HG3 LYS+ 106 - HN LYS+ 112 8.333% * 0.0746% (0.53 1.0 0.02 0.02) = 0.075% HB3 LYS+ 74 - HN LYS+ 112 8.333% * 0.0388% (0.28 1.0 0.02 0.02) = 0.039% HD3 LYS+ 121 - HN LYS+ 112 8.333% * 0.0341% (0.24 1.0 0.02 0.72) = 0.034% HB2 LEU 80 - HN LYS+ 112 8.333% * 0.0189% (0.14 1.0 0.02 0.02) = 0.019% Peak 678 (1.18, 8.49, 124.18 ppm): 5 chemical-shift based assignments, quality = 0.795, support = 5.79, residual support = 198.9: O HB3 LYS+ 112 - HN LYS+ 112 20.000% * 88.1560% (0.85 10.0 5.72 199.22) = 88.156% kept HD2 LYS+ 112 - HN LYS+ 112 20.000% * 11.6811% (0.35 1.0 6.39 199.22) = 11.681% kept QG2 THR 94 - HN LYS+ 112 20.000% * 0.0840% (0.81 1.0 0.02 0.58) = 0.084% HG13 ILE 103 - HN LYS+ 112 20.000% * 0.0502% (0.49 1.0 0.02 0.02) = 0.050% HB3 LEU 71 - HN LYS+ 112 20.000% * 0.0287% (0.28 1.0 0.02 0.02) = 0.029% Peak 680 (0.38, 8.49, 124.18 ppm): 4 chemical-shift based assignments, quality = 0.215, support = 5.91, residual support = 194.2: HG2 LYS+ 112 - HN LYS+ 112 25.000% * 97.4824% (0.21 6.06 199.22) = 97.482% kept QB ALA 47 - HN LYS+ 112 25.000% * 1.0993% (0.73 0.02 0.02) = 1.099% kept QG1 VAL 42 - HN LYS+ 112 25.000% * 0.8815% (0.58 0.02 0.02) = 0.881% QB ALA 64 - HN LYS+ 112 25.000% * 0.5368% (0.35 0.02 0.02) = 0.537% Peak 681 (0.80, 8.49, 124.18 ppm): 5 chemical-shift based assignments, quality = 0.696, support = 1.54, residual support = 2.39: HG3 LYS+ 121 - HN LYS+ 112 20.000% * 38.6052% (0.95 1.22 0.72) = 38.605% kept QD1 ILE 56 - HN LYS+ 112 20.000% * 35.6516% (0.68 1.57 4.19) = 35.652% kept QD2 LEU 73 - HN LYS+ 112 20.000% * 24.6443% (0.35 2.08 2.51) = 24.644% kept HG LEU 31 - HN LYS+ 112 20.000% * 0.9570% (0.21 0.13 0.50) = 0.957% QD2 LEU 123 - HN LYS+ 112 20.000% * 0.1420% (0.21 0.02 0.02) = 0.142% Peak 682 (1.06, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.808, support = 5.7, residual support = 197.7: HG3 LYS+ 112 - HN LYS+ 112 33.333% * 99.2253% (0.81 5.74 199.22) = 99.225% kept HG LEU 63 - HN LYS+ 112 33.333% * 0.4121% (0.97 0.02 0.23) = 0.412% QG2 VAL 24 - HN LYS+ 112 33.333% * 0.3626% (0.85 0.02 0.02) = 0.363% Peak 683 (3.46, 8.43, 117.70 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 5.31, residual support = 14.6: O HA LYS+ 112 - HN ASP- 113 25.000% * 99.8977% (0.69 10.0 5.32 14.58) = 99.898% kept HB2 HIS 122 - HN ASP- 113 25.000% * 0.0597% (0.41 1.0 0.02 0.02) = 0.060% HB THR 46 - HN ASP- 113 25.000% * 0.0261% (0.18 1.0 0.02 0.02) = 0.026% HB2 HIS 22 - HN ASP- 113 25.000% * 0.0166% (0.12 1.0 0.02 0.02) = 0.017% Peak 684 (2.69, 8.43, 117.70 ppm): 1 chemical-shift based assignment, quality = 0.81, support = 3.3, residual support = 13.9: O QB ASP- 113 - HN ASP- 113 100.000% *100.0000% (0.81 10.0 3.30 13.88) = 100.000% kept Peak 685 (2.33, 8.43, 117.70 ppm): 7 chemical-shift based assignments, quality = 0.568, support = 1.73, residual support = 5.43: HG3 GLU- 25 - HN ASP- 113 14.286% * 59.8699% (0.76 1.41 0.86) = 59.870% kept QG GLU- 114 - HN ASP- 113 14.286% * 27.1574% (0.16 3.09 18.02) = 27.157% kept HG2 PRO 52 - HN ASP- 113 14.286% * 12.1434% (0.58 0.37 0.13) = 12.143% kept HB2 PRO 58 - HN ASP- 113 14.286% * 0.3383% (0.30 0.02 0.02) = 0.338% HB2 GLU- 79 - HN ASP- 113 14.286% * 0.2327% (0.21 0.02 0.02) = 0.233% HG3 GLU- 36 - HN ASP- 113 14.286% * 0.1291% (0.12 0.02 0.02) = 0.129% HG2 MET 92 - HN ASP- 113 14.286% * 0.1291% (0.12 0.02 0.02) = 0.129% Peak 686 (2.02, 8.43, 117.70 ppm): 12 chemical-shift based assignments, quality = 0.657, support = 2.18, residual support = 6.38: HB2 LYS+ 111 - HN ASP- 113 8.333% * 46.8032% (0.85 2.14 2.67) = 46.803% kept QB GLU- 114 - HN ASP- 113 8.333% * 27.3052% (0.34 3.14 18.02) = 27.305% kept HB3 GLU- 25 - HN ASP- 113 8.333% * 24.0448% (0.69 1.34 0.86) = 24.045% kept QB GLU- 15 - HN ASP- 113 8.333% * 0.4264% (0.83 0.02 0.02) = 0.426% HB2 GLN 17 - HN ASP- 113 8.333% * 0.4264% (0.83 0.02 0.02) = 0.426% HB3 PRO 68 - HN ASP- 113 8.333% * 0.3752% (0.73 0.02 0.02) = 0.375% HG3 GLN 30 - HN ASP- 113 8.333% * 0.1741% (0.34 0.02 0.02) = 0.174% HB ILE 19 - HN ASP- 113 8.333% * 0.1382% (0.27 0.02 0.02) = 0.138% HG2 PRO 68 - HN ASP- 113 8.333% * 0.1070% (0.21 0.02 0.02) = 0.107% HB3 GLU- 100 - HN ASP- 113 8.333% * 0.0807% (0.16 0.02 0.02) = 0.081% HB ILE 119 - HN ASP- 113 8.333% * 0.0594% (0.12 0.02 0.02) = 0.059% HB2 GLN 30 - HN ASP- 113 8.333% * 0.0594% (0.12 0.02 0.02) = 0.059% Peak 687 (1.39, 8.43, 117.70 ppm): 12 chemical-shift based assignments, quality = 0.564, support = 4.79, residual support = 13.6: HB2 LYS+ 112 - HN ASP- 113 8.333% * 93.2879% (0.58 5.13 14.58) = 93.288% kept HB3 LEU 73 - HN ASP- 113 8.333% * 3.4061% (0.69 0.16 0.02) = 3.406% kept HG3 LYS+ 33 - HN ASP- 113 8.333% * 0.5092% (0.81 0.02 0.02) = 0.509% QB ALA 12 - HN ASP- 113 8.333% * 0.4776% (0.76 0.02 0.02) = 0.478% HB VAL 42 - HN ASP- 113 8.333% * 0.4776% (0.76 0.02 0.02) = 0.478% HG3 LYS+ 65 - HN ASP- 113 8.333% * 0.4776% (0.76 0.02 0.02) = 0.478% HG3 LYS+ 102 - HN ASP- 113 8.333% * 0.4135% (0.66 0.02 0.02) = 0.414% QB LEU 98 - HN ASP- 113 8.333% * 0.3120% (0.50 0.02 0.02) = 0.312% HG3 LYS+ 106 - HN ASP- 113 8.333% * 0.2862% (0.46 0.02 0.02) = 0.286% HB3 LYS+ 74 - HN ASP- 113 8.333% * 0.1490% (0.24 0.02 0.02) = 0.149% HD3 LYS+ 121 - HN ASP- 113 8.333% * 0.1307% (0.21 0.02 0.02) = 0.131% HB2 LEU 80 - HN ASP- 113 8.333% * 0.0725% (0.12 0.02 0.02) = 0.073% Peak 688 (1.18, 8.43, 117.70 ppm): 5 chemical-shift based assignments, quality = 0.592, support = 4.82, residual support = 14.5: HB3 LYS+ 112 - HN ASP- 113 20.000% * 68.2449% (0.73 4.69 14.58) = 68.245% kept HD2 LYS+ 112 - HN ASP- 113 20.000% * 31.2174% (0.30 5.17 14.58) = 31.217% kept QG2 THR 94 - HN ASP- 113 20.000% * 0.2774% (0.69 0.02 0.02) = 0.277% HG13 ILE 103 - HN ASP- 113 20.000% * 0.1657% (0.41 0.02 0.02) = 0.166% HB3 LEU 71 - HN ASP- 113 20.000% * 0.0946% (0.24 0.02 0.02) = 0.095% Peak 689 (4.37, 8.16, 121.97 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 3.26, residual support = 18.0: O HA ASP- 113 - HN GLU- 114 16.667% * 99.7410% (1.00 10.0 3.27 18.02) = 99.741% kept HA LYS+ 99 - HN GLU- 114 16.667% * 0.0727% (0.73 1.0 0.02 0.02) = 0.073% HA ASN 35 - HN GLU- 114 16.667% * 0.0534% (0.53 1.0 0.02 0.02) = 0.053% HA PHE 59 - HN GLU- 114 16.667% * 0.0487% (0.49 1.0 0.02 0.30) = 0.049% HA ILE 56 - HN GLU- 114 16.667% * 0.0487% (0.49 1.0 0.02 0.02) = 0.049% HA LEU 123 - HN GLU- 114 16.667% * 0.0355% (0.35 1.0 0.02 0.02) = 0.035% Peak 690 (2.68, 8.16, 121.97 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.27, residual support = 18.0: QB ASP- 113 - HN GLU- 114 100.000% *100.0000% (0.95 3.27 18.02) = 100.000% kept Peak 691 (2.32, 8.16, 121.97 ppm): 6 chemical-shift based assignments, quality = 0.8, support = 2.85, residual support = 20.4: QG GLU- 114 - HN GLU- 114 16.667% * 61.6524% (0.77 3.88 32.65) = 61.652% kept HG3 GLU- 25 - HN GLU- 114 16.667% * 25.2816% (0.81 1.51 0.89) = 25.282% kept HG2 PRO 52 - HN GLU- 114 16.667% * 12.1547% (0.97 0.61 0.02) = 12.155% kept HB2 GLU- 79 - HN GLU- 114 16.667% * 0.3520% (0.85 0.02 0.02) = 0.352% HG3 GLU- 36 - HN GLU- 114 16.667% * 0.2796% (0.68 0.02 0.02) = 0.280% HG2 MET 92 - HN GLU- 114 16.667% * 0.2796% (0.68 0.02 0.02) = 0.280% Peak 692 (2.01, 8.16, 121.97 ppm): 9 chemical-shift based assignments, quality = 0.796, support = 3.67, residual support = 26.5: O QB GLU- 114 - HN GLU- 114 11.111% * 80.9045% (0.77 10.0 4.07 32.65) = 80.905% kept HB2 LYS+ 111 - HN GLU- 114 11.111% * 10.5955% (0.85 1.0 2.36 0.49) = 10.595% kept HB3 GLU- 25 - HN GLU- 114 11.111% * 8.1090% (1.00 1.0 1.55 0.89) = 8.109% kept QB GLU- 15 - HN GLU- 114 11.111% * 0.0968% (0.92 1.0 0.02 0.02) = 0.097% HB2 GLN 17 - HN GLU- 114 11.111% * 0.0968% (0.92 1.0 0.02 0.02) = 0.097% HB ILE 19 - HN GLU- 114 11.111% * 0.0712% (0.68 1.0 0.02 0.02) = 0.071% HG2 PRO 68 - HN GLU- 114 11.111% * 0.0610% (0.58 1.0 0.02 0.02) = 0.061% HB3 PRO 68 - HN GLU- 114 11.111% * 0.0510% (0.49 1.0 0.02 0.02) = 0.051% HG3 GLN 30 - HN GLU- 114 11.111% * 0.0142% (0.14 1.0 0.02 0.02) = 0.014% Peak 693 (1.52, 8.16, 121.97 ppm): 9 chemical-shift based assignments, quality = 0.882, support = 0.447, residual support = 0.258: HB3 LYS+ 111 - HN GLU- 114 11.111% * 50.9344% (0.89 0.56 0.49) = 50.934% kept HB3 LYS+ 121 - HN GLU- 114 11.111% * 38.8696% (0.97 0.39 0.02) = 38.870% kept QG2 THR 26 - HN GLU- 114 11.111% * 3.6603% (0.16 0.23 0.02) = 3.660% kept HG LEU 104 - HN GLU- 114 11.111% * 1.9835% (0.97 0.02 0.02) = 1.984% kept HD3 LYS+ 74 - HN GLU- 114 11.111% * 1.7452% (0.85 0.02 0.02) = 1.745% kept QD LYS+ 66 - HN GLU- 114 11.111% * 1.4824% (0.73 0.02 0.02) = 1.482% kept HD2 LYS+ 121 - HN GLU- 114 11.111% * 0.5676% (0.28 0.02 0.02) = 0.568% HG2 LYS+ 65 - HN GLU- 114 11.111% * 0.4338% (0.21 0.02 0.02) = 0.434% HG2 LYS+ 33 - HN GLU- 114 11.111% * 0.3232% (0.16 0.02 0.02) = 0.323% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 694 (1.10, 8.16, 121.97 ppm): 5 chemical-shift based assignments, quality = 0.841, support = 1.46, residual support = 1.19: HD3 LYS+ 112 - HN GLU- 114 20.000% * 40.8407% (0.97 1.86 1.19) = 40.841% kept QG1 VAL 107 - HN GLU- 114 20.000% * 26.0738% (0.77 1.49 2.50) = 26.074% kept QG1 VAL 24 - HN GLU- 114 20.000% * 20.4227% (1.00 0.90 0.18) = 20.423% kept HB3 LEU 31 - HN GLU- 114 20.000% * 8.7207% (0.31 1.22 0.12) = 8.721% kept HG13 ILE 119 - HN GLU- 114 20.000% * 3.9421% (0.28 0.63 0.11) = 3.942% kept Peak 695 (3.82, 8.85, 104.25 ppm): 6 chemical-shift based assignments, quality = 0.438, support = 3.65, residual support = 14.2: O HA GLU- 100 - HN GLY 101 16.667% * 99.3458% (0.44 10.0 3.67 14.27) = 99.346% kept HB2 CYS 53 - HN GLY 101 16.667% * 0.2141% (0.95 1.0 0.02 0.02) = 0.214% HD2 PRO 58 - HN GLY 101 16.667% * 0.1312% (0.58 1.0 0.02 0.02) = 0.131% HA GLN 30 - HN GLY 101 16.667% * 0.1097% (0.49 1.0 0.02 0.02) = 0.110% HA VAL 83 - HN GLY 101 16.667% * 0.1097% (0.49 1.0 0.02 0.02) = 0.110% HD3 PRO 52 - HN GLY 101 16.667% * 0.0894% (0.40 1.0 0.02 0.02) = 0.089% Peak 696 (3.54, 8.85, 104.25 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 2.72, residual support = 11.8: O HA2 GLY 101 - HN GLY 101 100.000% *100.0000% (0.40 10.0 2.72 11.83) = 100.000% kept Peak 697 (3.82, 10.11, 128.03 ppm): 6 chemical-shift based assignments, quality = 0.438, support = 6.19, residual support = 71.8: O HA GLU- 100 - HN GLU- 100 16.667% * 99.3458% (0.44 10.0 6.23 72.25) = 99.346% kept HB2 CYS 53 - HN GLU- 100 16.667% * 0.2141% (0.95 1.0 0.02 0.02) = 0.214% HD2 PRO 58 - HN GLU- 100 16.667% * 0.1312% (0.58 1.0 0.02 0.02) = 0.131% HA GLN 30 - HN GLU- 100 16.667% * 0.1097% (0.49 1.0 0.02 0.02) = 0.110% HA VAL 83 - HN GLU- 100 16.667% * 0.1097% (0.49 1.0 0.02 0.02) = 0.110% HD3 PRO 52 - HN GLU- 100 16.667% * 0.0894% (0.40 1.0 0.02 0.02) = 0.089% Peak 698 (2.10, 10.11, 128.03 ppm): 6 chemical-shift based assignments, quality = 0.565, support = 3.56, residual support = 70.2: HG3 GLU- 100 - HN GLU- 100 16.667% * 97.1079% (0.58 3.67 72.25) = 97.108% kept HB2 PRO 68 - HN GLU- 100 16.667% * 0.8828% (0.97 0.02 0.02) = 0.883% QB GLN 32 - HN GLU- 100 16.667% * 0.8828% (0.97 0.02 0.02) = 0.883% HB VAL 24 - HN GLU- 100 16.667% * 0.8388% (0.92 0.02 0.02) = 0.839% HG3 PRO 52 - HN GLU- 100 16.667% * 0.1438% (0.16 0.02 0.02) = 0.144% HG2 PRO 58 - HN GLU- 100 16.667% * 0.1438% (0.16 0.02 0.02) = 0.144% Peak 699 (1.76, 10.11, 128.03 ppm): 3 chemical-shift based assignments, quality = 0.625, support = 5.13, residual support = 26.7: HB2 LYS+ 99 - HN GLU- 100 33.333% * 99.1196% (0.63 5.18 26.98) = 99.120% kept HB VAL 43 - HN GLU- 100 33.333% * 0.4683% (0.77 0.02 0.02) = 0.468% QD LYS+ 81 - HN GLU- 100 33.333% * 0.4120% (0.68 0.02 0.02) = 0.412% Peak 700 (1.32, 10.11, 128.03 ppm): 8 chemical-shift based assignments, quality = 0.854, support = 4.09, residual support = 17.7: HG2 LYS+ 99 - HN GLU- 100 12.500% * 65.2159% (0.85 5.68 26.98) = 65.216% kept HG2 LYS+ 38 - HN GLU- 100 12.500% * 17.2809% (0.95 1.35 0.30) = 17.281% kept QB ALA 88 - HN GLU- 100 12.500% * 11.1335% (0.92 0.90 0.47) = 11.134% kept QG2 THR 77 - HN GLU- 100 12.500% * 5.9839% (0.49 0.92 0.34) = 5.984% kept HG2 LYS+ 111 - HN GLU- 100 12.500% * 0.1434% (0.53 0.02 0.02) = 0.143% HB2 LEU 31 - HN GLU- 100 12.500% * 0.1184% (0.44 0.02 0.02) = 0.118% HB3 LEU 80 - HN GLU- 100 12.500% * 0.0747% (0.28 0.02 0.02) = 0.075% HB2 LEU 63 - HN GLU- 100 12.500% * 0.0494% (0.18 0.02 0.02) = 0.049% Peak 702 (1.77, 8.33, 118.17 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 4.42, residual support = 141.5: O HB2 LYS+ 99 - HN LYS+ 99 12.500% * 98.5138% (0.99 10.0 4.48 143.60) = 98.514% kept QD LYS+ 81 - HN LYS+ 99 12.500% * 1.3365% (0.97 1.0 0.28 0.02) = 1.337% kept HB VAL 43 - HN LYS+ 99 12.500% * 0.0921% (0.92 1.0 0.02 0.02) = 0.092% HB3 GLN 17 - HN LYS+ 99 12.500% * 0.0440% (0.44 1.0 0.02 0.02) = 0.044% HB2 LYS+ 99 - HN GLN 30 12.500% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% QD LYS+ 81 - HN GLN 30 12.500% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HB VAL 43 - HN GLN 30 12.500% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HB3 GLN 17 - HN GLN 30 12.500% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% Peak 703 (1.41, 8.33, 118.17 ppm): 22 chemical-shift based assignments, quality = 0.579, support = 2.27, residual support = 8.64: QB LEU 98 - HN LYS+ 99 4.545% * 57.9553% (0.44 3.52 14.84) = 57.955% kept HB2 LEU 80 - HN LYS+ 99 4.545% * 22.1402% (0.95 0.62 0.10) = 22.140% kept HG LEU 80 - HN LYS+ 99 4.545% * 15.6436% (0.73 0.58 0.10) = 15.644% kept HD3 LYS+ 121 - HN GLN 30 4.545% * 0.8290% (0.03 0.66 3.83) = 0.829% HG12 ILE 19 - HN LYS+ 99 4.545% * 0.6394% (0.85 0.02 0.02) = 0.639% HD3 LYS+ 121 - HN LYS+ 99 4.545% * 0.6094% (0.81 0.02 0.02) = 0.609% HB3 LYS+ 74 - HN LYS+ 99 4.545% * 0.5771% (0.77 0.02 0.02) = 0.577% QB ALA 110 - HN LYS+ 99 4.545% * 0.5771% (0.77 0.02 0.02) = 0.577% QB ALA 61 - HN LYS+ 99 4.545% * 0.3641% (0.49 0.02 0.02) = 0.364% HB3 LEU 67 - HN LYS+ 99 4.545% * 0.2356% (0.31 0.02 0.02) = 0.236% QB ALA 12 - HN LYS+ 99 4.545% * 0.1376% (0.18 0.02 0.02) = 0.138% QG LYS+ 66 - HN LYS+ 99 4.545% * 0.1184% (0.16 0.02 0.02) = 0.118% HB2 LEU 80 - HN GLN 30 4.545% * 0.0291% (0.04 0.02 0.39) = 0.029% HG12 ILE 19 - HN GLN 30 4.545% * 0.0262% (0.03 0.02 1.20) = 0.026% HB3 LYS+ 74 - HN GLN 30 4.545% * 0.0236% (0.03 0.02 0.02) = 0.024% QB ALA 110 - HN GLN 30 4.545% * 0.0236% (0.03 0.02 0.02) = 0.024% HG LEU 80 - HN GLN 30 4.545% * 0.0222% (0.03 0.02 0.39) = 0.022% QB ALA 61 - HN GLN 30 4.545% * 0.0149% (0.02 0.02 0.02) = 0.015% QB LEU 98 - HN GLN 30 4.545% * 0.0135% (0.02 0.02 0.99) = 0.013% HB3 LEU 67 - HN GLN 30 4.545% * 0.0096% (0.01 0.02 0.02) = 0.010% QB ALA 12 - HN GLN 30 4.545% * 0.0056% (0.01 0.02 0.02) = 0.006% QG LYS+ 66 - HN GLN 30 4.545% * 0.0048% (0.01 0.02 0.02) = 0.005% Peak 704 (0.72, 8.33, 118.17 ppm): 8 chemical-shift based assignments, quality = 0.646, support = 2.92, residual support = 11.3: QD2 LEU 104 - HN LYS+ 99 12.500% * 47.3836% (0.73 2.83 9.59) = 47.384% kept QD1 LEU 98 - HN LYS+ 99 12.500% * 45.4012% (0.58 3.38 14.84) = 45.401% kept QD1 ILE 19 - HN LYS+ 99 12.500% * 7.0920% (0.53 0.58 0.02) = 7.092% kept QG2 THR 46 - HN LYS+ 99 12.500% * 0.0849% (0.18 0.02 0.02) = 0.085% QD2 LEU 104 - HN GLN 30 12.500% * 0.0137% (0.03 0.02 1.54) = 0.014% QD1 LEU 98 - HN GLN 30 12.500% * 0.0110% (0.02 0.02 0.99) = 0.011% QD1 ILE 19 - HN GLN 30 12.500% * 0.0101% (0.02 0.02 1.20) = 0.010% QG2 THR 46 - HN GLN 30 12.500% * 0.0035% (0.01 0.02 0.02) = 0.003% Peak 706 (0.59, 8.33, 118.17 ppm): 14 chemical-shift based assignments, quality = 0.781, support = 2.83, residual support = 7.12: QD1 LEU 104 - HN LYS+ 99 7.143% * 73.9749% (0.81 3.64 9.59) = 73.975% kept QD2 LEU 80 - HN LYS+ 99 7.143% * 13.3984% (0.99 0.54 0.10) = 13.398% kept QG1 VAL 83 - HN LYS+ 99 7.143% * 3.7524% (0.28 0.54 0.02) = 3.752% kept QD1 LEU 63 - HN LYS+ 99 7.143% * 2.5468% (0.81 0.13 0.02) = 2.547% kept QD1 LEU 73 - HN LYS+ 99 7.143% * 1.7172% (0.81 0.08 0.02) = 1.717% kept QD2 LEU 80 - HN GLN 30 7.143% * 1.4208% (0.04 1.41 0.39) = 1.421% kept QD2 LEU 115 - HN GLN 30 7.143% * 1.3836% (0.04 1.36 0.37) = 1.384% kept QD1 LEU 73 - HN GLN 30 7.143% * 0.8887% (0.03 1.07 0.60) = 0.889% QD2 LEU 115 - HN LYS+ 99 7.143% * 0.4968% (1.00 0.02 0.02) = 0.497% QD2 LEU 63 - HN LYS+ 99 7.143% * 0.3782% (0.16 0.10 0.02) = 0.378% QD1 LEU 63 - HN GLN 30 7.143% * 0.0166% (0.03 0.02 0.02) = 0.017% QD1 LEU 104 - HN GLN 30 7.143% * 0.0166% (0.03 0.02 1.54) = 0.017% QG1 VAL 83 - HN GLN 30 7.143% * 0.0057% (0.01 0.02 0.02) = 0.006% QD2 LEU 63 - HN GLN 30 7.143% * 0.0032% (0.01 0.02 0.02) = 0.003% Peak 707 (2.38, 9.69, 125.68 ppm): 5 chemical-shift based assignments, quality = 0.533, support = 3.47, residual support = 8.94: HB3 PHE 97 - HN LEU 98 20.000% * 93.3943% (0.53 3.71 9.57) = 93.394% kept HB2 GLN 116 - HN LEU 98 20.000% * 4.7001% (0.73 0.14 0.02) = 4.700% kept HB2 GLU- 100 - HN LEU 98 20.000% * 0.8052% (0.85 0.02 0.02) = 0.805% QG GLU- 79 - HN LEU 98 20.000% * 0.7268% (0.77 0.02 0.02) = 0.727% QG GLN 32 - HN LEU 98 20.000% * 0.3736% (0.40 0.02 0.02) = 0.374% Peak 708 (1.84, 9.69, 125.68 ppm): 11 chemical-shift based assignments, quality = 0.626, support = 2.2, residual support = 8.8: HB VAL 41 - HN LEU 98 9.091% * 34.8463% (0.53 3.36 14.79) = 34.846% kept HG12 ILE 103 - HN LEU 98 9.091% * 32.2918% (0.73 2.29 7.15) = 32.292% kept HB3 ASP- 105 - HN LEU 98 9.091% * 9.9077% (0.31 1.62 8.10) = 9.908% kept HB ILE 103 - HN LEU 98 9.091% * 7.4768% (0.40 0.97 7.15) = 7.477% kept HG LEU 123 - HN LEU 98 9.091% * 7.4507% (0.97 0.39 0.02) = 7.451% kept HB3 PRO 52 - HN LEU 98 9.091% * 7.4507% (0.97 0.39 0.02) = 7.451% kept HG3 PRO 68 - HN LEU 98 9.091% * 0.1714% (0.44 0.02 0.02) = 0.171% HG2 ARG+ 54 - HN LEU 98 9.091% * 0.1379% (0.35 0.02 0.02) = 0.138% QB LYS+ 66 - HN LEU 98 9.091% * 0.1225% (0.31 0.02 0.02) = 0.123% QB LYS+ 33 - HN LEU 98 9.091% * 0.0826% (0.21 0.02 0.02) = 0.083% HB3 GLN 90 - HN LEU 98 9.091% * 0.0616% (0.16 0.02 0.02) = 0.062% Peak 709 (1.41, 9.69, 125.68 ppm): 9 chemical-shift based assignments, quality = 0.761, support = 4.05, residual support = 63.5: O QB LEU 98 - HN LEU 98 11.111% * 95.5802% (0.77 10.0 4.21 66.48) = 95.580% kept HG12 ILE 19 - HN LEU 98 11.111% * 2.4030% (0.53 1.0 0.73 0.02) = 2.403% kept HB3 LYS+ 74 - HN LEU 98 11.111% * 1.0548% (0.99 1.0 0.17 0.02) = 1.055% kept HB2 LEU 80 - HN LEU 98 11.111% * 0.4733% (0.97 1.0 0.08 0.02) = 0.473% HG LEU 80 - HN LEU 98 11.111% * 0.2298% (0.40 1.0 0.09 0.02) = 0.230% HD3 LYS+ 121 - HN LEU 98 11.111% * 0.1235% (1.00 1.0 0.02 0.02) = 0.123% QB ALA 110 - HN LEU 98 11.111% * 0.0546% (0.44 1.0 0.02 0.02) = 0.055% QB ALA 12 - HN LEU 98 11.111% * 0.0546% (0.44 1.0 0.02 0.02) = 0.055% QB ALA 61 - HN LEU 98 11.111% * 0.0263% (0.21 1.0 0.02 0.02) = 0.026% Peak 710 (0.99, 9.69, 125.68 ppm): 6 chemical-shift based assignments, quality = 0.88, support = 2.81, residual support = 5.5: QD2 LEU 40 - HN LEU 98 16.667% * 62.1810% (0.95 3.88 6.55) = 62.181% kept QG2 ILE 103 - HN LEU 98 16.667% * 19.8640% (0.81 1.44 7.15) = 19.864% kept HB VAL 75 - HN LEU 98 16.667% * 9.6623% (0.63 0.91 0.12) = 9.662% kept QD1 LEU 67 - HN LEU 98 16.667% * 4.2138% (0.92 0.27 0.02) = 4.214% kept HG3 LYS+ 74 - HN LEU 98 16.667% * 4.0254% (0.68 0.35 0.02) = 4.025% kept QD2 LEU 71 - HN LEU 98 16.667% * 0.0534% (0.16 0.02 0.02) = 0.053% Peak 711 (0.73, 9.69, 125.68 ppm): 6 chemical-shift based assignments, quality = 0.639, support = 2.33, residual support = 30.2: QD2 LEU 104 - HN LEU 98 16.667% * 46.8772% (0.99 1.32 10.38) = 46.877% kept QD1 LEU 98 - HN LEU 98 16.667% * 38.1327% (0.24 4.34 66.48) = 38.133% kept QG2 THR 46 - HN LEU 98 16.667% * 9.1511% (0.49 0.52 0.02) = 9.151% kept QD1 ILE 19 - HN LEU 98 16.667% * 3.4008% (0.89 0.11 0.02) = 3.401% kept QG2 VAL 18 - HN LEU 98 16.667% * 2.3242% (0.35 0.18 0.02) = 2.324% kept QG1 VAL 43 - HN LEU 98 16.667% * 0.1140% (0.16 0.02 0.02) = 0.114% Peak 712 (0.58, 9.69, 125.68 ppm): 7 chemical-shift based assignments, quality = 0.357, support = 1.62, residual support = 8.45: QG2 VAL 41 - HN LEU 98 14.286% * 35.7955% (0.16 2.61 14.79) = 35.796% kept QD1 LEU 104 - HN LEU 98 14.286% * 30.3695% (0.18 1.90 10.38) = 30.370% kept QD2 LEU 63 - HN LEU 98 14.286% * 26.5438% (0.77 0.40 0.02) = 26.544% kept QD2 LEU 80 - HN LEU 98 14.286% * 3.5607% (0.40 0.10 0.02) = 3.561% kept QD1 LEU 63 - HN LEU 98 14.286% * 1.4829% (0.85 0.02 0.02) = 1.483% kept QD1 LEU 73 - HN LEU 98 14.286% * 1.4829% (0.85 0.02 0.02) = 1.483% kept QD2 LEU 115 - HN LEU 98 14.286% * 0.7646% (0.44 0.02 0.02) = 0.765% Peak 713 (2.99, 8.40, 123.79 ppm): 6 chemical-shift based assignments, quality = 0.904, support = 4.28, residual support = 54.4: O HB2 PHE 97 - HN PHE 97 16.667% * 96.5369% (0.92 10.0 4.38 55.98) = 96.537% kept QE LYS+ 106 - HN PHE 97 16.667% * 3.2684% (0.40 1.0 1.58 10.98) = 3.268% kept HB3 TRP 27 - HN PHE 97 16.667% * 0.0994% (0.95 1.0 0.02 0.02) = 0.099% QE LYS+ 99 - HN PHE 97 16.667% * 0.0509% (0.49 1.0 0.02 0.02) = 0.051% HB3 PHE 60 - HN PHE 97 16.667% * 0.0222% (0.21 1.0 0.02 0.02) = 0.022% QE LYS+ 38 - HN PHE 97 16.667% * 0.0222% (0.21 1.0 0.02 0.02) = 0.022% Peak 714 (2.62, 8.40, 123.79 ppm): 2 chemical-shift based assignments, quality = 0.97, support = 4.99, residual support = 28.0: HG2 MET 96 - HN PHE 97 50.000% * 99.8543% (0.97 5.00 28.07) = 99.854% kept HB2 PRO 52 - HN PHE 97 50.000% * 0.1457% (0.35 0.02 0.02) = 0.146% Peak 715 (2.38, 8.40, 123.79 ppm): 6 chemical-shift based assignments, quality = 0.208, support = 4.52, residual support = 53.5: O HB3 PHE 97 - HN PHE 97 16.667% * 95.4745% (0.21 10.0 4.70 55.98) = 95.474% kept HB VAL 107 - HN PHE 97 16.667% * 3.3530% (0.16 1.0 0.94 2.67) = 3.353% kept QG GLU- 79 - HN PHE 97 16.667% * 0.4479% (1.00 1.0 0.02 0.02) = 0.448% QG GLN 32 - HN PHE 97 16.667% * 0.3467% (0.77 1.0 0.02 0.02) = 0.347% HB2 GLU- 100 - HN PHE 97 16.667% * 0.2187% (0.49 1.0 0.02 0.02) = 0.219% HB2 GLN 116 - HN PHE 97 16.667% * 0.1593% (0.35 1.0 0.02 0.02) = 0.159% Peak 716 (2.24, 8.40, 123.79 ppm): 7 chemical-shift based assignments, quality = 0.788, support = 3.41, residual support = 36.5: HB2 ASP- 105 - HN PHE 97 14.286% * 66.5997% (0.97 3.35 46.07) = 66.600% kept HB2 MET 96 - HN PHE 97 14.286% * 20.5702% (0.18 5.47 28.07) = 20.570% kept HG3 MET 92 - HN PHE 97 14.286% * 8.9097% (0.85 0.51 0.02) = 8.910% kept HB3 ASP- 76 - HN PHE 97 14.286% * 2.3923% (0.77 0.15 0.02) = 2.392% kept HB2 GLU- 29 - HN PHE 97 14.286% * 1.1368% (0.73 0.08 0.02) = 1.137% kept HG2 GLU- 100 - HN PHE 97 14.286% * 0.2777% (0.68 0.02 0.02) = 0.278% HG12 ILE 119 - HN PHE 97 14.286% * 0.1137% (0.28 0.02 2.15) = 0.114% Peak 717 (1.90, 8.40, 123.79 ppm): 7 chemical-shift based assignments, quality = 0.857, support = 0.116, residual support = 0.02: HB3 PRO 58 - HN PHE 97 14.286% * 72.7053% (0.97 0.15 0.02) = 72.705% kept HB2 MET 92 - HN PHE 97 14.286% * 8.0269% (0.81 0.02 0.02) = 8.027% kept HB3 GLN 30 - HN PHE 97 14.286% * 6.2140% (0.63 0.02 0.02) = 6.214% kept HG3 MET 11 - HN PHE 97 14.286% * 4.3423% (0.44 0.02 0.02) = 4.342% kept HB3 LYS+ 38 - HN PHE 97 14.286% * 3.9071% (0.40 0.02 0.02) = 3.907% kept HB3 GLU- 14 - HN PHE 97 14.286% * 2.4022% (0.24 0.02 0.02) = 2.402% kept HB ILE 56 - HN PHE 97 14.286% * 2.4022% (0.24 0.02 0.02) = 2.402% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 718 (1.00, 8.40, 123.79 ppm): 6 chemical-shift based assignments, quality = 0.705, support = 1.54, residual support = 2.02: HB VAL 75 - HN PHE 97 16.667% * 39.2995% (0.92 1.87 3.42) = 39.300% kept QD2 LEU 40 - HN PHE 97 16.667% * 28.2386% (0.68 1.82 2.11) = 28.239% kept QD1 LEU 67 - HN PHE 97 16.667% * 10.9944% (0.63 0.76 0.11) = 10.994% kept QG2 ILE 103 - HN PHE 97 16.667% * 9.3617% (0.49 0.84 0.02) = 9.362% kept HG3 LYS+ 74 - HN PHE 97 16.667% * 8.8331% (0.35 1.09 0.02) = 8.833% kept QD1 ILE 119 - HN PHE 97 16.667% * 3.2726% (0.14 1.06 2.15) = 3.273% kept Peak 719 (2.52, 9.32, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.179, support = 3.2, residual support = 8.22: HB3 PHE 95 - HN MET 96 25.000% * 82.5492% (0.12 3.84 9.95) = 82.549% kept HG3 GLN 116 - HN MET 96 25.000% * 12.9673% (0.33 0.23 0.02) = 12.967% kept HG2 GLU- 25 - HN MET 96 25.000% * 3.0843% (0.90 0.02 0.02) = 3.084% kept HB3 TRP 87 - HN MET 96 25.000% * 1.3992% (0.41 0.02 0.02) = 1.399% kept Peak 720 (2.21, 9.32, 123.66 ppm): 7 chemical-shift based assignments, quality = 0.904, support = 3.54, residual support = 102.6: O HB2 MET 96 - HN MET 96 14.286% * 97.6128% (0.92 10.0 3.62 105.06) = 97.613% kept QG GLN 17 - HN MET 96 14.286% * 1.2343% (0.49 1.0 0.47 0.02) = 1.234% kept HB VAL 70 - HN MET 96 14.286% * 0.9598% (0.58 1.0 0.31 0.02) = 0.960% HG2 GLU- 100 - HN MET 96 14.286% * 0.0665% (0.63 1.0 0.02 0.02) = 0.066% HB3 ASP- 76 - HN MET 96 14.286% * 0.0570% (0.54 1.0 0.02 0.02) = 0.057% HB2 GLU- 25 - HN MET 96 14.286% * 0.0388% (0.37 1.0 0.02 0.02) = 0.039% HB2 ASP- 105 - HN MET 96 14.286% * 0.0308% (0.29 1.0 0.02 0.02) = 0.031% Peak 721 (1.94, 9.32, 123.66 ppm): 6 chemical-shift based assignments, quality = 0.445, support = 3.24, residual support = 102.1: O HB3 MET 96 - HN MET 96 16.667% * 97.1395% (0.45 10.0 3.32 105.06) = 97.139% kept HB VAL 18 - HN MET 96 16.667% * 2.4631% (0.37 1.0 0.62 0.34) = 2.463% kept HB2 LEU 40 - HN MET 96 16.667% * 0.1842% (0.85 1.0 0.02 0.53) = 0.184% HB3 ARG+ 54 - HN MET 96 16.667% * 0.1449% (0.67 1.0 0.02 0.02) = 0.145% HB3 GLU- 14 - HN MET 96 16.667% * 0.0367% (0.17 1.0 0.02 0.02) = 0.037% HB2 LEU 67 - HN MET 96 16.667% * 0.0316% (0.15 1.0 0.02 0.35) = 0.032% Peak 722 (1.80, 9.32, 123.66 ppm): 7 chemical-shift based assignments, quality = 0.718, support = 0.391, residual support = 0.377: HB2 LEU 71 - HN MET 96 14.286% * 70.4521% (0.75 0.51 0.53) = 70.452% kept HB3 GLN 17 - HN MET 96 14.286% * 15.9917% (0.82 0.11 0.02) = 15.992% kept HG2 PRO 93 - HN MET 96 14.286% * 7.8546% (0.33 0.13 0.02) = 7.855% kept QB LYS+ 65 - HN MET 96 14.286% * 2.5940% (0.71 0.02 0.02) = 2.594% kept QB LYS+ 102 - HN MET 96 14.286% * 2.1204% (0.58 0.02 0.02) = 2.120% kept HB2 LYS+ 99 - HN MET 96 14.286% * 0.5322% (0.15 0.02 0.02) = 0.532% QB LYS+ 66 - HN MET 96 14.286% * 0.4549% (0.12 0.02 0.02) = 0.455% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 723 (1.19, 9.32, 123.66 ppm): 5 chemical-shift based assignments, quality = 0.821, support = 1.01, residual support = 3.65: HD2 LYS+ 112 - HN MET 96 20.000% * 32.9083% (0.90 1.21 6.44) = 32.908% kept QG2 THR 94 - HN MET 96 20.000% * 25.7858% (0.79 1.07 0.33) = 25.786% kept HB3 LYS+ 112 - HN MET 96 20.000% * 20.8925% (0.75 0.91 6.44) = 20.892% kept HB3 LEU 71 - HN MET 96 20.000% * 19.4355% (0.85 0.75 0.53) = 19.435% kept HG3 LYS+ 111 - HN MET 96 20.000% * 0.9779% (0.15 0.22 0.02) = 0.978% Peak 724 (0.75, 9.32, 123.66 ppm): 6 chemical-shift based assignments, quality = 0.769, support = 1.58, residual support = 4.87: QG1 VAL 43 - HN MET 96 16.667% * 45.5562% (0.67 2.52 10.33) = 45.556% kept QG2 VAL 18 - HN MET 96 16.667% * 20.9584% (0.88 0.89 0.34) = 20.958% kept QG2 THR 46 - HN MET 96 16.667% * 18.9040% (0.92 0.76 0.38) = 18.904% kept QD1 ILE 19 - HN MET 96 16.667% * 14.0255% (0.75 0.69 0.11) = 14.026% kept QD2 LEU 104 - HN MET 96 16.667% * 0.3137% (0.58 0.02 0.02) = 0.314% QG1 VAL 41 - HN MET 96 16.667% * 0.2421% (0.45 0.02 0.02) = 0.242% Peak 725 (0.58, 9.32, 123.66 ppm): 7 chemical-shift based assignments, quality = 0.623, support = 0.382, residual support = 0.324: QD2 LEU 63 - HN MET 96 14.286% * 30.1183% (0.71 0.46 0.11) = 30.118% kept QD1 LEU 63 - HN MET 96 14.286% * 21.8272% (0.79 0.30 0.11) = 21.827% kept QD2 LEU 115 - HN MET 96 14.286% * 20.7568% (0.41 0.55 1.25) = 20.757% kept QD1 LEU 73 - HN MET 96 14.286% * 13.8131% (0.79 0.19 0.02) = 13.813% kept QD2 LEU 80 - HN MET 96 14.286% * 10.1166% (0.37 0.30 0.02) = 10.117% kept QD1 LEU 104 - HN MET 96 14.286% * 3.0990% (0.17 0.20 0.02) = 3.099% kept QG2 VAL 41 - HN MET 96 14.286% * 0.2689% (0.15 0.02 0.02) = 0.269% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 726 (0.10, 9.32, 123.66 ppm): 2 chemical-shift based assignments, quality = 0.53, support = 1.42, residual support = 3.24: QD1 ILE 89 - HN MET 96 50.000% * 67.6505% (0.63 1.46 4.07) = 67.651% kept QG2 VAL 83 - HN MET 96 50.000% * 32.3495% (0.33 1.34 1.49) = 32.349% kept Peak 727 (3.21, 9.87, 125.46 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 3.83, residual support = 69.5: O HB2 PHE 95 - HN PHE 95 100.000% *100.0000% (0.81 10.0 3.83 69.47) = 100.000% kept Peak 728 (2.54, 9.87, 125.46 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 3.82, residual support = 69.4: O HB3 PHE 95 - HN PHE 95 33.333% * 99.8727% (0.97 10.0 3.83 69.47) = 99.873% kept HG2 GLN 116 - HN PHE 95 33.333% * 0.0949% (0.92 1.0 0.02 0.12) = 0.095% HG2 GLU- 25 - HN PHE 95 33.333% * 0.0324% (0.31 1.0 0.02 0.02) = 0.032% Peak 729 (2.41, 9.87, 125.46 ppm): 5 chemical-shift based assignments, quality = 0.868, support = 2.54, residual support = 21.5: HB VAL 107 - HN PHE 95 20.000% * 71.0597% (0.99 3.10 29.22) = 71.060% kept QE LYS+ 112 - HN PHE 95 20.000% * 19.3171% (0.58 1.43 2.72) = 19.317% kept HB3 PHE 45 - HN PHE 95 20.000% * 9.2400% (0.58 0.68 2.00) = 9.240% kept QG GLN 32 - HN PHE 95 20.000% * 0.2701% (0.58 0.02 0.02) = 0.270% QG GLU- 79 - HN PHE 95 20.000% * 0.1131% (0.24 0.02 0.02) = 0.113% Peak 730 (1.18, 9.87, 125.46 ppm): 5 chemical-shift based assignments, quality = 0.735, support = 2.73, residual support = 8.47: QG2 THR 94 - HN PHE 95 20.000% * 60.2237% (0.81 3.75 12.63) = 60.224% kept HB3 LYS+ 112 - HN PHE 95 20.000% * 18.6152% (0.85 1.11 2.72) = 18.615% kept HD2 LYS+ 112 - HN PHE 95 20.000% * 10.8533% (0.35 1.55 2.72) = 10.853% kept HG13 ILE 103 - HN PHE 95 20.000% * 9.6765% (0.49 1.01 0.63) = 9.676% kept HB3 LEU 71 - HN PHE 95 20.000% * 0.6313% (0.28 0.12 0.02) = 0.631% Peak 731 (3.96, 8.03, 115.19 ppm): 10 chemical-shift based assignments, quality = 0.529, support = 2.43, residual support = 19.5: O HB THR 94 - HN THR 94 10.000% * 98.9740% (0.53 10.0 2.45 19.72) = 98.974% kept QB SER 85 - HN THR 94 10.000% * 0.1761% (0.95 1.0 0.02 0.02) = 0.176% HA2 GLY 16 - HN THR 94 10.000% * 0.1761% (0.95 1.0 0.02 0.02) = 0.176% HA ALA 120 - HN THR 94 10.000% * 0.1711% (0.92 1.0 0.02 0.02) = 0.171% HA LYS+ 65 - HN THR 94 10.000% * 0.1652% (0.89 1.0 0.02 0.02) = 0.165% QB SER 48 - HN THR 94 10.000% * 0.1258% (0.68 1.0 0.02 0.02) = 0.126% HA LYS+ 121 - HN THR 94 10.000% * 0.0817% (0.44 1.0 0.02 0.02) = 0.082% HA2 GLY 51 - HN THR 94 10.000% * 0.0657% (0.35 1.0 0.02 0.02) = 0.066% HD2 PRO 52 - HN THR 94 10.000% * 0.0394% (0.21 1.0 0.02 0.02) = 0.039% QB SER 117 - HN THR 94 10.000% * 0.0251% (0.14 1.0 0.02 0.02) = 0.025% Peak 732 (3.06, 8.03, 115.19 ppm): 3 chemical-shift based assignments, quality = 0.954, support = 2.55, residual support = 11.5: HB2 PHE 45 - HN THR 94 33.333% * 57.3966% (0.92 2.96 18.92) = 57.397% kept QE LYS+ 111 - HN THR 94 33.333% * 42.4180% (1.00 2.02 1.48) = 42.418% kept HB2 CYS 21 - HN THR 94 33.333% * 0.1854% (0.44 0.02 0.02) = 0.185% Peak 733 (2.44, 8.03, 115.19 ppm): 6 chemical-shift based assignments, quality = 0.451, support = 1.7, residual support = 11.3: HB3 PHE 45 - HN THR 94 16.667% * 58.7901% (0.44 2.05 18.92) = 58.790% kept QE LYS+ 112 - HN THR 94 16.667% * 37.6822% (0.44 1.32 0.58) = 37.682% kept HB3 ASP- 86 - HN THR 94 16.667% * 1.2827% (0.99 0.02 0.02) = 1.283% kept HG2 GLU- 29 - HN THR 94 16.667% * 1.2827% (0.99 0.02 0.02) = 1.283% kept HB3 ASP- 62 - HN THR 94 16.667% * 0.7565% (0.58 0.02 0.02) = 0.757% HG3 MET 96 - HN THR 94 16.667% * 0.2057% (0.16 0.02 0.33) = 0.206% Peak 734 (2.06, 8.03, 115.19 ppm): 10 chemical-shift based assignments, quality = 0.968, support = 4.47, residual support = 11.7: O HB2 PRO 93 - HN THR 94 10.000% * 99.6470% (0.97 10.0 4.48 11.74) = 99.647% kept HB2 ARG+ 54 - HN THR 94 10.000% * 0.0696% (0.68 1.0 0.02 0.02) = 0.070% HB VAL 108 - HN THR 94 10.000% * 0.0597% (0.58 1.0 0.02 0.02) = 0.060% HG2 MET 11 - HN THR 94 10.000% * 0.0407% (0.40 1.0 0.02 0.02) = 0.041% HB2 GLU- 14 - HN THR 94 10.000% * 0.0364% (0.35 1.0 0.02 0.02) = 0.036% HB2 GLN 30 - HN THR 94 10.000% * 0.0323% (0.31 1.0 0.02 0.02) = 0.032% HB ILE 119 - HN THR 94 10.000% * 0.0323% (0.31 1.0 0.02 0.02) = 0.032% HG3 PRO 52 - HN THR 94 10.000% * 0.0285% (0.28 1.0 0.02 0.02) = 0.029% HG2 PRO 58 - HN THR 94 10.000% * 0.0285% (0.28 1.0 0.02 0.02) = 0.029% HB3 GLU- 100 - HN THR 94 10.000% * 0.0250% (0.24 1.0 0.02 0.02) = 0.025% Peak 735 (1.36, 8.03, 115.19 ppm): 14 chemical-shift based assignments, quality = 0.844, support = 2.93, residual support = 11.3: O HB3 PRO 93 - HN THR 94 7.143% * 96.2568% (0.85 10.0 3.02 11.74) = 96.257% kept HB2 LYS+ 112 - HN THR 94 7.143% * 3.0730% (0.68 1.0 0.80 0.58) = 3.073% kept QB ALA 84 - HN THR 94 7.143% * 0.0917% (0.81 1.0 0.02 0.02) = 0.092% HG3 LYS+ 106 - HN THR 94 7.143% * 0.0917% (0.81 1.0 0.02 0.02) = 0.092% HG LEU 98 - HN THR 94 7.143% * 0.0764% (0.68 1.0 0.02 0.02) = 0.076% HG3 LYS+ 102 - HN THR 94 7.143% * 0.0656% (0.58 1.0 0.02 0.02) = 0.066% QB ALA 124 - HN THR 94 7.143% * 0.0601% (0.53 1.0 0.02 0.02) = 0.060% HB3 LEU 73 - HN THR 94 7.143% * 0.0601% (0.53 1.0 0.02 0.02) = 0.060% HB VAL 42 - HN THR 94 7.143% * 0.0496% (0.44 1.0 0.02 0.02) = 0.050% HG3 LYS+ 65 - HN THR 94 7.143% * 0.0496% (0.44 1.0 0.02 0.02) = 0.050% HB3 ASP- 44 - HN THR 94 7.143% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HG3 LYS+ 33 - HN THR 94 7.143% * 0.0399% (0.35 1.0 0.02 0.02) = 0.040% HB2 LEU 63 - HN THR 94 7.143% * 0.0275% (0.24 1.0 0.02 0.14) = 0.027% HB3 LEU 80 - HN THR 94 7.143% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% Peak 736 (1.21, 8.03, 115.19 ppm): 6 chemical-shift based assignments, quality = 0.536, support = 1.5, residual support = 6.15: HG3 LYS+ 111 - HN THR 94 16.667% * 26.6950% (0.77 0.96 1.48) = 26.695% kept QG2 THR 94 - HN THR 94 16.667% * 25.0190% (0.21 3.25 19.72) = 25.019% kept HD2 LYS+ 112 - HN THR 94 16.667% * 21.7940% (0.63 0.95 0.58) = 21.794% kept HG12 ILE 89 - HN THR 94 16.667% * 18.4239% (0.68 0.75 3.55) = 18.424% kept HB3 LYS+ 112 - HN THR 94 16.667% * 7.5426% (0.18 1.13 0.58) = 7.543% kept HB3 LEU 71 - HN THR 94 16.667% * 0.5255% (0.73 0.02 0.02) = 0.525% Peak 737 (0.64, 8.03, 115.19 ppm): 2 chemical-shift based assignments, quality = 0.848, support = 0.433, residual support = 3.52: QG2 ILE 89 - HN THR 94 50.000% * 99.1582% (0.85 0.44 3.55) = 99.158% kept QG1 VAL 83 - HN THR 94 50.000% * 0.8418% (0.16 0.02 0.42) = 0.842% Peak 738 (2.27, 8.46, 118.59 ppm): 7 chemical-shift based assignments, quality = 0.91, support = 0.707, residual support = 1.78: HB2 ASP- 44 - HN MET 92 14.286% * 60.4503% (0.97 0.89 2.85) = 60.450% kept QG GLN 90 - HN MET 92 14.286% * 30.3353% (0.81 0.54 0.17) = 30.335% kept QG GLU- 15 - HN MET 92 14.286% * 5.2221% (1.00 0.08 0.11) = 5.222% kept QG GLU- 14 - HN MET 92 14.286% * 1.3222% (0.95 0.02 0.02) = 1.322% kept HB3 PHE 72 - HN MET 92 14.286% * 1.2403% (0.89 0.02 0.02) = 1.240% kept QB MET 11 - HN MET 92 14.286% * 0.8778% (0.63 0.02 0.02) = 0.878% HG12 ILE 119 - HN MET 92 14.286% * 0.5520% (0.40 0.02 0.02) = 0.552% Peak 739 (1.89, 8.46, 118.59 ppm): 7 chemical-shift based assignments, quality = 0.993, support = 3.64, residual support = 50.3: O HB2 MET 92 - HN MET 92 14.286% * 99.6548% (1.00 10.0 3.65 50.51) = 99.655% kept HB3 PRO 58 - HN MET 92 14.286% * 0.0950% (0.95 1.0 0.02 0.02) = 0.095% HB3 GLN 30 - HN MET 92 14.286% * 0.0923% (0.92 1.0 0.02 0.02) = 0.092% HB3 LYS+ 38 - HN MET 92 14.286% * 0.0726% (0.73 1.0 0.02 0.02) = 0.073% HB ILE 56 - HN MET 92 14.286% * 0.0534% (0.53 1.0 0.02 0.02) = 0.053% HG3 MET 11 - HN MET 92 14.286% * 0.0184% (0.18 1.0 0.02 0.02) = 0.018% QB LYS+ 106 - HN MET 92 14.286% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% Peak 740 (1.71, 8.46, 118.59 ppm): 7 chemical-shift based assignments, quality = 0.441, support = 3.77, residual support = 49.4: O HB3 MET 92 - HN MET 92 14.286% * 97.7568% (0.44 10.0 3.86 50.51) = 97.757% kept QG1 ILE 56 - HN MET 92 14.286% * 1.5278% (0.68 1.0 0.20 0.02) = 1.528% kept QD LYS+ 99 - HN MET 92 14.286% * 0.1976% (0.89 1.0 0.02 0.02) = 0.198% QD LYS+ 106 - HN MET 92 14.286% * 0.1896% (0.85 1.0 0.02 0.02) = 0.190% HB2 LEU 73 - HN MET 92 14.286% * 0.1399% (0.63 1.0 0.02 0.02) = 0.140% HB3 LYS+ 99 - HN MET 92 14.286% * 0.1184% (0.53 1.0 0.02 0.02) = 0.118% HD2 LYS+ 111 - HN MET 92 14.286% * 0.0699% (0.31 1.0 0.02 0.02) = 0.070% Peak 741 (1.25, 8.46, 118.59 ppm): 9 chemical-shift based assignments, quality = 0.943, support = 2.33, residual support = 5.73: QB ALA 91 - HN MET 92 11.111% * 82.5930% (1.00 2.71 6.89) = 82.593% kept HG13 ILE 19 - HN MET 92 11.111% * 14.7501% (0.81 0.59 0.22) = 14.750% kept QG2 THR 39 - HN MET 92 11.111% * 0.6086% (1.00 0.02 0.02) = 0.609% HG3 LYS+ 38 - HN MET 92 11.111% * 0.4975% (0.81 0.02 0.02) = 0.497% HG3 LYS+ 99 - HN MET 92 11.111% * 0.3555% (0.58 0.02 0.02) = 0.356% QG2 ILE 56 - HN MET 92 11.111% * 0.3555% (0.58 0.02 0.02) = 0.356% HG2 LYS+ 74 - HN MET 92 11.111% * 0.3261% (0.53 0.02 0.02) = 0.326% HG LEU 71 - HN MET 92 11.111% * 0.2972% (0.49 0.02 0.02) = 0.297% QB ALA 34 - HN MET 92 11.111% * 0.2165% (0.35 0.02 0.02) = 0.216% Peak 742 (3.88, 7.72, 122.85 ppm): 10 chemical-shift based assignments, quality = 0.462, support = 1.97, residual support = 3.7: HA ILE 89 - HN ALA 91 10.000% * 76.5160% (0.49 2.39 4.78) = 76.516% kept HB3 SER 37 - HN ALA 91 10.000% * 15.6005% (0.49 0.49 0.02) = 15.601% kept HA ILE 89 - HN TRP 27 10.000% * 4.8100% (0.06 1.32 0.73) = 4.810% kept HB THR 118 - HN ALA 91 10.000% * 1.2134% (0.92 0.02 0.02) = 1.213% kept HB3 SER 37 - HN TRP 27 10.000% * 0.8529% (0.06 0.23 0.02) = 0.853% HB THR 39 - HN ALA 91 10.000% * 0.4141% (0.31 0.02 0.02) = 0.414% QB SER 13 - HN ALA 91 10.000% * 0.3655% (0.28 0.02 0.02) = 0.365% HB THR 118 - HN TRP 27 10.000% * 0.1385% (0.11 0.02 0.52) = 0.139% HB THR 39 - HN TRP 27 10.000% * 0.0473% (0.04 0.02 0.02) = 0.047% QB SER 13 - HN TRP 27 10.000% * 0.0417% (0.03 0.02 0.02) = 0.042% Peak 743 (2.17, 7.72, 122.85 ppm): 10 chemical-shift based assignments, quality = 0.612, support = 3.96, residual support = 17.9: HB2 GLN 90 - HN ALA 91 10.000% * 79.5859% (0.63 4.77 22.21) = 79.586% kept HB2 LYS+ 38 - HN ALA 91 10.000% * 10.9335% (0.92 0.45 0.02) = 10.934% kept HB2 LYS+ 38 - HN TRP 27 10.000% * 5.0515% (0.11 1.81 3.63) = 5.051% kept QB GLU- 36 - HN ALA 91 10.000% * 1.8594% (0.14 0.52 0.02) = 1.859% kept HB2 GLN 90 - HN TRP 27 10.000% * 1.8240% (0.07 0.96 0.85) = 1.824% kept HG3 GLU- 29 - HN ALA 91 10.000% * 0.4522% (0.85 0.02 0.02) = 0.452% HB3 GLU- 29 - HN ALA 91 10.000% * 0.2098% (0.40 0.02 0.02) = 0.210% HG3 GLU- 29 - HN TRP 27 10.000% * 0.0516% (0.10 0.02 0.02) = 0.052% HB3 GLU- 29 - HN TRP 27 10.000% * 0.0239% (0.05 0.02 0.02) = 0.024% QB GLU- 36 - HN TRP 27 10.000% * 0.0082% (0.02 0.02 0.02) = 0.008% Peak 744 (1.86, 7.72, 122.85 ppm): 22 chemical-shift based assignments, quality = 0.938, support = 4.12, residual support = 18.9: HB3 GLN 90 - HN ALA 91 4.545% * 85.1210% (0.99 4.76 22.21) = 85.121% kept QB LYS+ 33 - HN ALA 91 4.545% * 9.2145% (1.00 0.51 0.02) = 9.215% kept HB3 GLN 90 - HN TRP 27 4.545% * 2.0582% (0.11 1.01 0.85) = 2.058% kept HB3 LYS+ 38 - HN ALA 91 4.545% * 1.0578% (0.28 0.21 0.02) = 1.058% kept HB3 ASP- 105 - HN ALA 91 4.545% * 0.3519% (0.97 0.02 0.02) = 0.352% HG2 ARG+ 54 - HN ALA 91 4.545% * 0.3441% (0.95 0.02 0.02) = 0.344% QB LYS+ 81 - HN ALA 91 4.545% * 0.3441% (0.95 0.02 0.02) = 0.344% QB LYS+ 106 - HN ALA 91 4.545% * 0.3343% (0.92 0.02 0.02) = 0.334% HB ILE 103 - HN ALA 91 4.545% * 0.3343% (0.92 0.02 0.02) = 0.334% HG3 PRO 68 - HN ALA 91 4.545% * 0.3227% (0.89 0.02 0.02) = 0.323% HB ILE 56 - HN ALA 91 4.545% * 0.1596% (0.44 0.02 0.02) = 0.160% HB3 GLN 30 - HN ALA 91 4.545% * 0.0490% (0.14 0.02 0.02) = 0.049% QB LYS+ 33 - HN TRP 27 4.545% * 0.0413% (0.11 0.02 0.02) = 0.041% HB3 ASP- 105 - HN TRP 27 4.545% * 0.0402% (0.11 0.02 0.83) = 0.040% HG2 ARG+ 54 - HN TRP 27 4.545% * 0.0393% (0.11 0.02 0.02) = 0.039% QB LYS+ 81 - HN TRP 27 4.545% * 0.0393% (0.11 0.02 0.02) = 0.039% QB LYS+ 106 - HN TRP 27 4.545% * 0.0382% (0.11 0.02 0.02) = 0.038% HB ILE 103 - HN TRP 27 4.545% * 0.0382% (0.11 0.02 0.02) = 0.038% HG3 PRO 68 - HN TRP 27 4.545% * 0.0368% (0.10 0.02 0.02) = 0.037% HB ILE 56 - HN TRP 27 4.545% * 0.0182% (0.05 0.02 0.02) = 0.018% HB3 LYS+ 38 - HN TRP 27 4.545% * 0.0115% (0.03 0.02 3.63) = 0.011% HB3 GLN 30 - HN TRP 27 4.545% * 0.0056% (0.02 0.02 0.02) = 0.006% Peak 745 (1.26, 7.72, 122.85 ppm): 20 chemical-shift based assignments, quality = 0.889, support = 2.82, residual support = 10.4: O QB ALA 91 - HN ALA 91 5.000% * 96.2692% (0.89 10.0 2.92 10.82) = 96.269% kept QG2 ILE 56 - HN ALA 91 5.000% * 1.9558% (0.89 1.0 0.41 0.02) = 1.956% kept HG3 LYS+ 38 - HN ALA 91 5.000% * 1.3714% (1.00 1.0 0.25 0.02) = 1.371% kept QG2 THR 39 - HN ALA 91 5.000% * 0.0963% (0.89 1.0 0.02 0.02) = 0.096% QB ALA 34 - HN ALA 91 5.000% * 0.0733% (0.68 1.0 0.02 0.02) = 0.073% HG13 ILE 19 - HN ALA 91 5.000% * 0.0526% (0.49 1.0 0.02 0.02) = 0.053% HG3 LYS+ 99 - HN ALA 91 5.000% * 0.0300% (0.28 1.0 0.02 0.02) = 0.030% QG2 THR 23 - HN ALA 91 5.000% * 0.0300% (0.28 1.0 0.02 0.02) = 0.030% HG2 LYS+ 74 - HN ALA 91 5.000% * 0.0263% (0.24 1.0 0.02 0.02) = 0.026% HG LEU 71 - HN ALA 91 5.000% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% HG3 LYS+ 38 - HN TRP 27 5.000% * 0.0123% (0.11 1.0 0.02 3.63) = 0.012% QG2 THR 39 - HN TRP 27 5.000% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% QB ALA 91 - HN TRP 27 5.000% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% QG2 ILE 56 - HN TRP 27 5.000% * 0.0110% (0.10 1.0 0.02 0.02) = 0.011% QB ALA 34 - HN TRP 27 5.000% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% HG13 ILE 19 - HN TRP 27 5.000% * 0.0060% (0.06 1.0 0.02 0.02) = 0.006% QG2 THR 23 - HN TRP 27 5.000% * 0.0034% (0.03 1.0 0.02 0.61) = 0.003% HG3 LYS+ 99 - HN TRP 27 5.000% * 0.0034% (0.03 1.0 0.02 0.02) = 0.003% HG2 LYS+ 74 - HN TRP 27 5.000% * 0.0030% (0.03 1.0 0.02 0.11) = 0.003% HG LEU 71 - HN TRP 27 5.000% * 0.0026% (0.02 1.0 0.02 0.02) = 0.003% Peak 748 (4.63, 7.76, 120.90 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 0.918, residual support = 0.91: HA ALA 20 - HN LYS+ 102 50.000% * 99.3996% (1.00 0.92 0.92) = 99.400% kept HA LEU 71 - HN LYS+ 102 50.000% * 0.6004% (0.28 0.02 0.02) = 0.600% Peak 749 (4.15, 7.76, 120.90 ppm): 8 chemical-shift based assignments, quality = 0.469, support = 2.72, residual support = 9.76: O HA1 GLY 101 - HN LYS+ 102 12.500% * 94.0165% (0.49 10.0 2.77 10.23) = 94.016% kept HA ILE 19 - HN LYS+ 102 12.500% * 4.3823% (0.18 1.0 2.47 3.31) = 4.382% kept HA ALA 34 - HN LYS+ 102 12.500% * 1.1375% (0.28 1.0 0.42 0.02) = 1.138% kept HA THR 26 - HN LYS+ 102 12.500% * 0.1907% (0.99 1.0 0.02 0.02) = 0.191% HA GLU- 114 - HN LYS+ 102 12.500% * 0.1311% (0.68 1.0 0.02 0.02) = 0.131% HA CYS 53 - HN LYS+ 102 12.500% * 0.0851% (0.44 1.0 0.02 0.02) = 0.085% HA LEU 115 - HN LYS+ 102 12.500% * 0.0306% (0.16 1.0 0.02 0.02) = 0.031% HA ASN 28 - HN LYS+ 102 12.500% * 0.0261% (0.14 1.0 0.02 0.02) = 0.026% Peak 750 (3.54, 7.76, 120.90 ppm): 3 chemical-shift based assignments, quality = 0.158, support = 2.73, residual support = 10.2: O HA2 GLY 101 - HN LYS+ 102 33.333% * 99.6036% (0.16 10.0 2.74 10.23) = 99.604% kept HD2 PRO 93 - HN LYS+ 102 33.333% * 0.1982% (0.31 1.0 0.02 0.02) = 0.198% HB2 TRP 27 - HN LYS+ 102 33.333% * 0.1982% (0.31 1.0 0.02 0.33) = 0.198% Peak 751 (2.01, 7.76, 120.90 ppm): 9 chemical-shift based assignments, quality = 0.719, support = 1.35, residual support = 2.56: HB ILE 19 - HN LYS+ 102 11.111% * 76.9849% (0.68 1.72 3.31) = 76.985% kept QB GLU- 15 - HN LYS+ 102 11.111% * 11.6070% (0.92 0.19 0.02) = 11.607% kept HB2 GLN 17 - HN LYS+ 102 11.111% * 6.3620% (0.92 0.10 0.02) = 6.362% kept HB3 GLU- 25 - HN LYS+ 102 11.111% * 1.3172% (1.00 0.02 0.02) = 1.317% kept HB2 LYS+ 111 - HN LYS+ 102 11.111% * 1.1261% (0.85 0.02 0.02) = 1.126% kept QB GLU- 114 - HN LYS+ 102 11.111% * 1.0165% (0.77 0.02 0.02) = 1.016% kept HG2 PRO 68 - HN LYS+ 102 11.111% * 0.7670% (0.58 0.02 0.02) = 0.767% HB3 PRO 68 - HN LYS+ 102 11.111% * 0.6412% (0.49 0.02 0.02) = 0.641% HG3 GLN 30 - HN LYS+ 102 11.111% * 0.1783% (0.14 0.02 0.02) = 0.178% Peak 752 (1.81, 7.76, 120.90 ppm): 8 chemical-shift based assignments, quality = 0.939, support = 4.25, residual support = 121.9: O QB LYS+ 102 - HN LYS+ 102 12.500% * 95.3011% (0.97 10.0 4.34 126.90) = 95.301% kept HG12 ILE 103 - HN LYS+ 102 12.500% * 4.2895% (0.31 1.0 2.78 21.70) = 4.289% kept HG2 PRO 93 - HN LYS+ 102 12.500% * 0.0953% (0.97 1.0 0.02 0.02) = 0.095% QB LYS+ 65 - HN LYS+ 102 12.500% * 0.0874% (0.89 1.0 0.02 0.02) = 0.087% HB2 LEU 71 - HN LYS+ 102 12.500% * 0.0839% (0.85 1.0 0.02 0.02) = 0.084% QB LYS+ 66 - HN LYS+ 102 12.500% * 0.0712% (0.73 1.0 0.02 0.02) = 0.071% HB VAL 41 - HN LYS+ 102 12.500% * 0.0477% (0.49 1.0 0.02 0.02) = 0.048% HB3 GLN 17 - HN LYS+ 102 12.500% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% Peak 753 (1.42, 7.76, 120.90 ppm): 12 chemical-shift based assignments, quality = 0.779, support = 2.26, residual support = 24.5: HG12 ILE 19 - HN LYS+ 102 8.333% * 61.8868% (1.00 2.33 3.31) = 61.887% kept HG2 LYS+ 102 - HN LYS+ 102 8.333% * 17.6863% (0.16 4.19 126.90) = 17.686% kept HG LEU 80 - HN LYS+ 102 8.333% * 11.8326% (0.99 0.45 0.02) = 11.833% kept HD3 LYS+ 121 - HN LYS+ 102 8.333% * 3.1459% (0.44 0.27 0.02) = 3.146% kept QB LEU 98 - HN LYS+ 102 8.333% * 2.4652% (0.16 0.58 0.17) = 2.465% kept HB3 LYS+ 74 - HN LYS+ 102 8.333% * 0.9344% (0.40 0.09 0.02) = 0.934% QB ALA 110 - HN LYS+ 102 8.333% * 0.5310% (1.00 0.02 0.02) = 0.531% QB ALA 61 - HN LYS+ 102 8.333% * 0.4554% (0.85 0.02 0.02) = 0.455% HB3 LEU 67 - HN LYS+ 102 8.333% * 0.3617% (0.68 0.02 0.02) = 0.362% HB2 LEU 80 - HN LYS+ 102 8.333% * 0.3360% (0.63 0.02 0.02) = 0.336% QG LYS+ 66 - HN LYS+ 102 8.333% * 0.2348% (0.44 0.02 0.02) = 0.235% HG LEU 73 - HN LYS+ 102 8.333% * 0.1299% (0.24 0.02 0.02) = 0.130% Peak 754 (0.74, 7.76, 120.90 ppm): 6 chemical-shift based assignments, quality = 0.935, support = 1.58, residual support = 2.34: QD1 ILE 19 - HN LYS+ 102 16.667% * 69.6932% (1.00 2.04 3.31) = 69.693% kept QD2 LEU 104 - HN LYS+ 102 16.667% * 17.0197% (0.92 0.54 0.12) = 17.020% kept QG2 VAL 18 - HN LYS+ 102 16.667% * 12.3093% (0.68 0.53 0.10) = 12.309% kept QG2 THR 46 - HN LYS+ 102 16.667% * 0.5595% (0.81 0.02 0.02) = 0.560% QG1 VAL 43 - HN LYS+ 102 16.667% * 0.2724% (0.40 0.02 0.02) = 0.272% QG1 VAL 41 - HN LYS+ 102 16.667% * 0.1459% (0.21 0.02 0.02) = 0.146% Peak 755 (3.88, 8.62, 127.39 ppm): 5 chemical-shift based assignments, quality = 0.51, support = 5.24, residual support = 23.8: O HA ILE 89 - HN GLN 90 20.000% * 92.4053% (0.49 10.0 5.62 25.73) = 92.405% kept HB THR 118 - HN GLN 90 20.000% * 5.5135% (0.92 1.0 0.63 0.02) = 5.513% kept HB3 SER 37 - HN GLN 90 20.000% * 1.9686% (0.49 1.0 0.43 0.02) = 1.969% kept HB THR 39 - HN GLN 90 20.000% * 0.0598% (0.31 1.0 0.02 0.02) = 0.060% QB SER 13 - HN GLN 90 20.000% * 0.0528% (0.28 1.0 0.02 0.02) = 0.053% Peak 756 (2.26, 8.62, 127.39 ppm): 9 chemical-shift based assignments, quality = 0.824, support = 4.33, residual support = 68.1: QG GLN 90 - HN GLN 90 11.111% * 90.2227% (0.85 4.77 75.42) = 90.223% kept HG3 MET 92 - HN GLN 90 11.111% * 5.7445% (0.49 0.53 0.17) = 5.744% kept HG12 ILE 119 - HN GLN 90 11.111% * 2.5561% (0.99 0.12 0.02) = 2.556% kept HB3 PHE 72 - HN GLN 90 11.111% * 0.3418% (0.77 0.02 0.02) = 0.342% QG GLU- 14 - HN GLN 90 11.111% * 0.3007% (0.68 0.02 0.02) = 0.301% HB2 GLU- 29 - HN GLN 90 11.111% * 0.2794% (0.63 0.02 0.02) = 0.279% HB2 ASP- 44 - HN GLN 90 11.111% * 0.2794% (0.63 0.02 0.02) = 0.279% QG GLU- 15 - HN GLN 90 11.111% * 0.2156% (0.49 0.02 0.02) = 0.216% HB2 ASP- 105 - HN GLN 90 11.111% * 0.0599% (0.14 0.02 0.02) = 0.060% Peak 758 (1.87, 8.62, 127.39 ppm): 12 chemical-shift based assignments, quality = 0.87, support = 5.15, residual support = 71.4: O HB3 GLN 90 - HN GLN 90 8.333% * 94.5658% (0.89 10.0 5.37 75.42) = 94.566% kept HB ILE 103 - HN GLN 90 8.333% * 4.7268% (0.58 1.0 1.53 0.86) = 4.727% kept QB LYS+ 106 - HN GLN 90 8.333% * 0.1031% (0.97 1.0 0.02 0.02) = 0.103% QB LYS+ 81 - HN GLN 90 8.333% * 0.1008% (0.95 1.0 0.02 0.02) = 0.101% HB ILE 56 - HN GLN 90 8.333% * 0.0865% (0.81 1.0 0.02 0.93) = 0.086% QB LYS+ 33 - HN GLN 90 8.333% * 0.0865% (0.81 1.0 0.02 0.02) = 0.086% HB3 ASP- 105 - HN GLN 90 8.333% * 0.0720% (0.68 1.0 0.02 0.02) = 0.072% HB3 LYS+ 38 - HN GLN 90 8.333% * 0.0669% (0.63 1.0 0.02 0.02) = 0.067% HG2 ARG+ 54 - HN GLN 90 8.333% * 0.0669% (0.63 1.0 0.02 0.02) = 0.067% HG3 PRO 68 - HN GLN 90 8.333% * 0.0567% (0.53 1.0 0.02 0.02) = 0.057% HB3 GLN 30 - HN GLN 90 8.333% * 0.0421% (0.40 1.0 0.02 0.02) = 0.042% HB2 MET 92 - HN GLN 90 8.333% * 0.0259% (0.24 1.0 0.02 0.17) = 0.026% Peak 759 (0.64, 8.62, 127.39 ppm): 1 chemical-shift based assignment, quality = 0.534, support = 6.07, residual support = 25.7: QG2 ILE 89 - HN GLN 90 100.000% *100.0000% (0.53 6.07 25.73) = 100.000% kept Peak 760 (0.11, 8.62, 127.39 ppm): 2 chemical-shift based assignments, quality = 0.326, support = 4.73, residual support = 22.4: QD1 ILE 89 - HN GLN 90 50.000% * 86.7996% (0.35 5.13 25.73) = 86.800% kept QG2 VAL 83 - HN GLN 90 50.000% * 13.2004% (0.14 2.05 0.57) = 13.200% kept Peak 761 (3.98, 7.91, 118.70 ppm): 9 chemical-shift based assignments, quality = 0.983, support = 3.38, residual support = 4.53: O HA ALA 88 - HN ILE 89 11.111% * 99.5453% (0.99 10.0 3.39 4.55) = 99.545% kept HA GLN 32 - HN ILE 89 11.111% * 0.0980% (0.97 1.0 0.02 0.02) = 0.098% HA SER 48 - HN ILE 89 11.111% * 0.0958% (0.95 1.0 0.02 0.02) = 0.096% HD2 PRO 52 - HN ILE 89 11.111% * 0.0822% (0.81 1.0 0.02 0.02) = 0.082% HB2 SER 82 - HN ILE 89 11.111% * 0.0539% (0.53 1.0 0.02 0.02) = 0.054% HA VAL 18 - HN ILE 89 11.111% * 0.0444% (0.44 1.0 0.02 0.02) = 0.044% HA GLU- 29 - HN ILE 89 11.111% * 0.0400% (0.40 1.0 0.02 0.02) = 0.040% HA LYS+ 33 - HN ILE 89 11.111% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% HA LYS+ 65 - HN ILE 89 11.111% * 0.0160% (0.16 1.0 0.02 0.02) = 0.016% Peak 762 (3.89, 7.91, 118.70 ppm): 3 chemical-shift based assignments, quality = 0.289, support = 5.01, residual support = 151.3: O HA ILE 89 - HN ILE 89 33.333% * 80.5323% (0.21 10.0 5.85 187.71) = 80.532% kept HB THR 118 - HN ILE 89 33.333% * 18.7004% (0.63 1.0 1.56 0.47) = 18.700% kept HB3 SER 37 - HN ILE 89 33.333% * 0.7673% (0.21 1.0 0.19 0.02) = 0.767% Peak 763 (1.75, 7.91, 118.70 ppm): 4 chemical-shift based assignments, quality = 0.314, support = 5.42, residual support = 187.1: O HB ILE 89 - HN ILE 89 25.000% * 99.6868% (0.31 10.0 5.44 187.71) = 99.687% kept HB VAL 43 - HN ILE 89 25.000% * 0.1255% (0.40 1.0 0.02 0.02) = 0.126% QD LYS+ 81 - HN ILE 89 25.000% * 0.0997% (0.31 1.0 0.02 0.02) = 0.100% HB2 LYS+ 99 - HN ILE 89 25.000% * 0.0880% (0.28 1.0 0.02 0.02) = 0.088% Peak 764 (1.23, 7.91, 118.70 ppm): 8 chemical-shift based assignments, quality = 0.669, support = 4.95, residual support = 169.9: HG12 ILE 89 - HN ILE 89 12.500% * 90.4936% (0.68 5.44 187.71) = 90.494% kept HG3 LYS+ 111 - HN ILE 89 12.500% * 5.4318% (0.58 0.38 0.61) = 5.432% kept HG2 LYS+ 74 - HN ILE 89 12.500% * 2.8360% (0.81 0.14 0.02) = 2.836% kept HG LEU 71 - HN ILE 89 12.500% * 0.4188% (0.85 0.02 0.02) = 0.419% HG3 LYS+ 99 - HN ILE 89 12.500% * 0.3780% (0.77 0.02 0.02) = 0.378% HG13 ILE 19 - HN ILE 89 12.500% * 0.2616% (0.53 0.02 0.02) = 0.262% QG2 THR 39 - HN ILE 89 12.500% * 0.0901% (0.18 0.02 0.02) = 0.090% QB ALA 91 - HN ILE 89 12.500% * 0.0901% (0.18 0.02 4.78) = 0.090% Peak 765 (0.63, 7.91, 118.70 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 5.69, residual support = 180.5: QG2 ILE 89 - HN ILE 89 50.000% * 96.1437% (1.00 5.89 187.71) = 96.144% kept QG1 VAL 83 - HN ILE 89 50.000% * 3.8563% (0.40 0.60 1.65) = 3.856% kept Peak 766 (-0.07, 7.91, 118.70 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 5.4, residual support = 187.7: HG13 ILE 89 - HN ILE 89 100.000% *100.0000% (0.85 5.40 187.71) = 100.000% kept Peak 768 (3.99, 7.82, 121.71 ppm): 10 chemical-shift based assignments, quality = 0.759, support = 1.6, residual support = 9.91: O HA ALA 88 - HN ALA 88 10.000% * 98.3037% (0.77 10.0 1.63 10.08) = 98.304% kept HA GLN 32 - HN ALA 88 10.000% * 0.9518% (0.73 1.0 0.17 0.02) = 0.952% HA SER 48 - HN ALA 88 10.000% * 0.1516% (0.97 1.0 0.02 0.02) = 0.152% HB2 SER 82 - HN ALA 88 10.000% * 0.1334% (0.85 1.0 0.02 0.02) = 0.133% HA VAL 18 - HN ALA 88 10.000% * 0.1204% (0.77 1.0 0.02 0.02) = 0.120% HA GLU- 29 - HN ALA 88 10.000% * 0.1133% (0.73 1.0 0.02 0.02) = 0.113% HA LYS+ 33 - HN ALA 88 10.000% * 0.0834% (0.53 1.0 0.02 0.02) = 0.083% HD2 PRO 52 - HN ALA 88 10.000% * 0.0760% (0.49 1.0 0.02 0.02) = 0.076% HA GLN 116 - HN ALA 88 10.000% * 0.0332% (0.21 1.0 0.02 0.02) = 0.033% HA VAL 70 - HN ALA 88 10.000% * 0.0332% (0.21 1.0 0.02 0.02) = 0.033% Peak 769 (1.33, 7.82, 121.71 ppm): 10 chemical-shift based assignments, quality = 0.639, support = 1.79, residual support = 9.27: O QB ALA 88 - HN ALA 88 10.000% * 91.8266% (0.63 10.0 1.87 10.08) = 91.827% kept HB2 LEU 31 - HN ALA 88 10.000% * 6.2243% (0.77 1.0 1.04 0.19) = 6.224% kept HG2 LYS+ 111 - HN ALA 88 10.000% * 1.3724% (0.85 1.0 0.21 0.02) = 1.372% kept HG2 LYS+ 99 - HN ALA 88 10.000% * 0.1556% (1.00 1.0 0.02 0.02) = 0.156% HG2 LYS+ 38 - HN ALA 88 10.000% * 0.1512% (0.97 1.0 0.02 0.02) = 0.151% HB3 LEU 80 - HN ALA 88 10.000% * 0.0906% (0.58 1.0 0.02 0.02) = 0.091% HB2 LEU 63 - HN ALA 88 10.000% * 0.0686% (0.44 1.0 0.02 0.02) = 0.069% HB3 ASP- 44 - HN ALA 88 10.000% * 0.0490% (0.31 1.0 0.02 0.02) = 0.049% QG2 THR 77 - HN ALA 88 10.000% * 0.0331% (0.21 1.0 0.02 0.02) = 0.033% QB ALA 124 - HN ALA 88 10.000% * 0.0286% (0.18 1.0 0.02 0.02) = 0.029% Peak 770 (3.42, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.63, support = 3.74, residual support = 63.5: O HB2 TRP 87 - HN TRP 87 33.333% * 99.8818% (0.63 10.0 3.74 63.60) = 99.882% kept HB2 PHE 60 - HN TRP 87 33.333% * 0.0846% (0.53 1.0 0.02 0.44) = 0.085% HB THR 46 - HN TRP 87 33.333% * 0.0336% (0.21 1.0 0.02 0.02) = 0.034% Peak 771 (2.93, 7.69, 117.92 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 3.32, residual support = 13.0: HB2 ASP- 86 - HN TRP 87 16.667% * 83.9149% (0.73 3.88 15.44) = 83.915% kept HB2 ASN 28 - HN TRP 87 16.667% * 12.5738% (1.00 0.42 0.02) = 12.574% kept HB2 ASN 35 - HN TRP 87 16.667% * 2.1313% (0.31 0.23 0.15) = 2.131% kept QE LYS+ 33 - HN TRP 87 16.667% * 0.5784% (0.97 0.02 0.02) = 0.578% QE LYS+ 65 - HN TRP 87 16.667% * 0.5656% (0.95 0.02 0.02) = 0.566% HB2 ASP- 78 - HN TRP 87 16.667% * 0.2361% (0.40 0.02 0.02) = 0.236% Peak 772 (2.50, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 3.28, residual support = 63.5: O HB3 TRP 87 - HN TRP 87 33.333% * 99.8671% (1.00 10.0 3.28 63.60) = 99.867% kept HG3 GLN 116 - HN TRP 87 33.333% * 0.0973% (0.97 1.0 0.02 0.02) = 0.097% HG2 GLU- 25 - HN TRP 87 33.333% * 0.0355% (0.35 1.0 0.02 0.02) = 0.036% Peak 773 (1.30, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.402, support = 2.1, residual support = 4.01: QB ALA 88 - HN TRP 87 33.333% * 97.1591% (0.40 2.16 4.13) = 97.159% kept QG2 THR 77 - HN TRP 87 33.333% * 1.9406% (0.85 0.02 0.02) = 1.941% kept QG2 THR 23 - HN TRP 87 33.333% * 0.9003% (0.40 0.02 0.02) = 0.900% Peak 774 (0.08, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.77, support = 1.7, residual support = 9.97: QD1 ILE 89 - HN TRP 87 33.333% * 60.3531% (0.68 2.38 13.09) = 60.353% kept QG2 VAL 83 - HN TRP 87 33.333% * 27.5427% (0.95 0.78 6.92) = 27.543% kept QD2 LEU 31 - HN TRP 87 33.333% * 12.1042% (0.81 0.40 1.31) = 12.104% kept Peak 775 (0.10, 10.56, 128.74 ppm): 2 chemical-shift based assignments, quality = 0.547, support = 1.3, residual support = 11.5: QD1 ILE 89 - HE1 TRP 87 50.000% * 73.5125% (0.63 1.40 13.09) = 73.512% kept QG2 VAL 83 - HE1 TRP 87 50.000% * 26.4875% (0.31 1.01 6.92) = 26.488% kept Peak 776 (3.97, 8.31, 124.24 ppm): 8 chemical-shift based assignments, quality = 0.684, support = 2.33, residual support = 6.42: QB SER 85 - HN ASP- 86 12.500% * 65.7799% (0.68 3.27 9.64) = 65.780% kept HD2 PRO 52 - HN ASP- 86 12.500% * 14.8832% (0.85 0.59 0.47) = 14.883% kept HA ALA 88 - HN ASP- 86 12.500% * 9.4084% (0.58 0.54 0.02) = 9.408% kept HA GLN 32 - HN ASP- 86 12.500% * 8.7164% (0.63 0.47 0.11) = 8.716% kept HA LYS+ 65 - HN ASP- 86 12.500% * 0.4577% (0.77 0.02 0.02) = 0.458% HA2 GLY 16 - HN ASP- 86 12.500% * 0.4027% (0.68 0.02 0.02) = 0.403% HA SER 48 - HN ASP- 86 12.500% * 0.1868% (0.31 0.02 0.02) = 0.187% HA ALA 120 - HN ASP- 86 12.500% * 0.1649% (0.28 0.02 0.02) = 0.165% Peak 777 (3.82, 8.31, 124.24 ppm): 6 chemical-shift based assignments, quality = 0.613, support = 1.3, residual support = 1.42: HB2 CYS 53 - HN ASP- 86 16.667% * 31.3224% (0.95 1.00 0.44) = 31.322% kept HA VAL 83 - HN ASP- 86 16.667% * 29.1306% (0.49 1.81 3.61) = 29.131% kept HA GLN 30 - HN ASP- 86 16.667% * 19.4252% (0.49 1.21 0.79) = 19.425% kept HD3 PRO 52 - HN ASP- 86 16.667% * 17.2123% (0.40 1.31 0.47) = 17.212% kept HA GLU- 100 - HN ASP- 86 16.667% * 2.5243% (0.44 0.17 0.02) = 2.524% kept HD2 PRO 58 - HN ASP- 86 16.667% * 0.3851% (0.58 0.02 0.02) = 0.385% Peak 778 (2.93, 8.31, 124.24 ppm): 6 chemical-shift based assignments, quality = 0.961, support = 4.52, residual support = 35.6: O HB2 ASP- 86 - HN ASP- 86 16.667% * 96.9747% (0.97 10.0 4.65 36.70) = 96.975% kept HB2 ASN 28 - HN ASP- 86 16.667% * 2.1821% (0.85 1.0 0.51 0.02) = 2.182% kept QE LYS+ 33 - HN ASP- 86 16.667% * 0.6675% (0.73 1.0 0.18 0.02) = 0.667% QE LYS+ 65 - HN ASP- 86 16.667% * 0.0970% (0.97 1.0 0.02 0.02) = 0.097% HB2 ASN 35 - HN ASP- 86 16.667% * 0.0630% (0.63 1.0 0.02 0.02) = 0.063% HB2 ASP- 78 - HN ASP- 86 16.667% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 779 (2.46, 8.31, 124.24 ppm): 5 chemical-shift based assignments, quality = 0.312, support = 3.18, residual support = 33.8: O HB3 ASP- 86 - HN ASP- 86 20.000% * 92.1031% (0.28 10.0 3.41 36.70) = 92.103% kept HB3 ASP- 62 - HN ASP- 86 20.000% * 7.2475% (0.77 1.0 0.57 0.48) = 7.248% kept HG3 MET 96 - HN ASP- 86 20.000% * 0.3270% (0.99 1.0 0.02 0.02) = 0.327% HG2 GLU- 36 - HN ASP- 86 20.000% * 0.2699% (0.81 1.0 0.02 0.02) = 0.270% HG2 GLU- 29 - HN ASP- 86 20.000% * 0.0524% (0.16 1.0 0.02 0.18) = 0.052% Peak 780 (3.97, 8.05, 111.48 ppm): 8 chemical-shift based assignments, quality = 0.678, support = 2.97, residual support = 14.1: O QB SER 85 - HN SER 85 12.500% * 95.2746% (0.68 10.0 3.09 14.81) = 95.275% kept HA GLN 32 - HN SER 85 12.500% * 2.5205% (0.63 1.0 0.57 0.02) = 2.521% kept HD2 PRO 52 - HN SER 85 12.500% * 1.8364% (0.85 1.0 0.31 0.02) = 1.836% kept HA LYS+ 65 - HN SER 85 12.500% * 0.1083% (0.77 1.0 0.02 0.02) = 0.108% HA2 GLY 16 - HN SER 85 12.500% * 0.0953% (0.68 1.0 0.02 0.02) = 0.095% HA ALA 88 - HN SER 85 12.500% * 0.0817% (0.58 1.0 0.02 0.02) = 0.082% HA SER 48 - HN SER 85 12.500% * 0.0442% (0.31 1.0 0.02 0.02) = 0.044% HA ALA 120 - HN SER 85 12.500% * 0.0390% (0.28 1.0 0.02 0.02) = 0.039% Peak 781 (3.70, 8.05, 111.48 ppm): 7 chemical-shift based assignments, quality = 0.352, support = 3.2, residual support = 15.6: O HA ALA 84 - HN SER 85 14.286% * 99.3035% (0.35 10.0 3.23 15.67) = 99.304% kept HA ILE 119 - HN SER 85 14.286% * 0.1901% (0.68 1.0 0.02 0.02) = 0.190% HB2 TRP 49 - HN SER 85 14.286% * 0.1631% (0.58 1.0 0.02 0.02) = 0.163% HA THR 118 - HN SER 85 14.286% * 0.1363% (0.49 1.0 0.02 0.02) = 0.136% HA VAL 75 - HN SER 85 14.286% * 0.1111% (0.40 1.0 0.02 0.02) = 0.111% HA2 GLY 109 - HN SER 85 14.286% * 0.0515% (0.18 1.0 0.02 0.02) = 0.052% HD3 PRO 58 - HN SER 85 14.286% * 0.0443% (0.16 1.0 0.02 0.02) = 0.044% Peak 782 (1.36, 8.05, 111.48 ppm): 16 chemical-shift based assignments, quality = 0.932, support = 3.27, residual support = 14.5: QB ALA 84 - HN SER 85 6.250% * 92.4785% (1.00 3.51 15.67) = 92.478% kept HB2 LEU 31 - HN SER 85 6.250% * 4.1027% (0.24 0.64 0.32) = 4.103% kept HB3 PRO 93 - HN SER 85 6.250% * 0.5288% (1.00 0.02 0.02) = 0.529% HG LEU 98 - HN SER 85 6.250% * 0.5024% (0.95 0.02 0.02) = 0.502% QB ALA 124 - HN SER 85 6.250% * 0.4521% (0.85 0.02 0.02) = 0.452% HB3 ASP- 44 - HN SER 85 6.250% * 0.3590% (0.68 0.02 0.02) = 0.359% HB2 LEU 63 - HN SER 85 6.250% * 0.2824% (0.53 0.02 0.02) = 0.282% HG3 LYS+ 106 - HN SER 85 6.250% * 0.2574% (0.49 0.02 0.02) = 0.257% HB3 LEU 80 - HN SER 85 6.250% * 0.2097% (0.40 0.02 0.02) = 0.210% HB2 LYS+ 112 - HN SER 85 6.250% * 0.1875% (0.35 0.02 0.02) = 0.188% HG3 LYS+ 102 - HN SER 85 6.250% * 0.1470% (0.28 0.02 0.02) = 0.147% HB3 LEU 73 - HN SER 85 6.250% * 0.1289% (0.24 0.02 0.02) = 0.129% HB VAL 42 - HN SER 85 6.250% * 0.0973% (0.18 0.02 0.02) = 0.097% HG3 LYS+ 65 - HN SER 85 6.250% * 0.0973% (0.18 0.02 0.02) = 0.097% HG2 LYS+ 111 - HN SER 85 6.250% * 0.0973% (0.18 0.02 0.02) = 0.097% HG3 LYS+ 33 - HN SER 85 6.250% * 0.0716% (0.14 0.02 0.02) = 0.072% Peak 783 (3.70, 7.58, 119.96 ppm): 7 chemical-shift based assignments, quality = 0.352, support = 3.52, residual support = 13.2: O HA ALA 84 - HN ALA 84 14.286% * 99.3035% (0.35 10.0 3.55 13.24) = 99.304% kept HA ILE 119 - HN ALA 84 14.286% * 0.1901% (0.68 1.0 0.02 0.02) = 0.190% HB2 TRP 49 - HN ALA 84 14.286% * 0.1631% (0.58 1.0 0.02 0.02) = 0.163% HA THR 118 - HN ALA 84 14.286% * 0.1363% (0.49 1.0 0.02 0.02) = 0.136% HA VAL 75 - HN ALA 84 14.286% * 0.1111% (0.40 1.0 0.02 0.02) = 0.111% HA2 GLY 109 - HN ALA 84 14.286% * 0.0515% (0.18 1.0 0.02 0.02) = 0.052% HD3 PRO 58 - HN ALA 84 14.286% * 0.0443% (0.16 1.0 0.02 0.02) = 0.044% Peak 784 (1.66, 7.58, 119.96 ppm): 8 chemical-shift based assignments, quality = 0.961, support = 4.69, residual support = 29.2: HB VAL 83 - HN ALA 84 12.500% * 91.5837% (0.99 5.10 31.89) = 91.584% kept HB2 LYS+ 121 - HN ALA 84 12.500% * 5.5616% (0.92 0.33 0.02) = 5.562% kept HB2 LEU 123 - HN ALA 84 12.500% * 1.6740% (0.35 0.26 0.02) = 1.674% kept QD LYS+ 38 - HN ALA 84 12.500% * 0.3595% (0.99 0.02 0.02) = 0.359% QD LYS+ 65 - HN ALA 84 12.500% * 0.3459% (0.95 0.02 0.02) = 0.346% QD LYS+ 102 - HN ALA 84 12.500% * 0.2297% (0.63 0.02 0.02) = 0.230% HG3 PRO 93 - HN ALA 84 12.500% * 0.1444% (0.40 0.02 0.02) = 0.144% HD2 LYS+ 74 - HN ALA 84 12.500% * 0.1012% (0.28 0.02 0.02) = 0.101% Peak 785 (1.36, 7.58, 119.96 ppm): 14 chemical-shift based assignments, quality = 0.802, support = 3.51, residual support = 12.9: O QB ALA 84 - HN ALA 84 7.143% * 97.4839% (0.81 10.0 3.59 13.24) = 97.484% kept QB ALA 124 - HN ALA 84 7.143% * 1.3666% (0.53 1.0 0.43 0.02) = 1.367% kept HB2 LEU 63 - HN ALA 84 7.143% * 0.4444% (0.24 1.0 0.30 0.11) = 0.444% HB3 PRO 93 - HN ALA 84 7.143% * 0.1023% (0.85 1.0 0.02 0.02) = 0.102% HG3 LYS+ 106 - HN ALA 84 7.143% * 0.0975% (0.81 1.0 0.02 0.02) = 0.097% HG LEU 98 - HN ALA 84 7.143% * 0.0812% (0.68 1.0 0.02 0.02) = 0.081% HB2 LYS+ 112 - HN ALA 84 7.143% * 0.0812% (0.68 1.0 0.02 0.02) = 0.081% HG3 LYS+ 102 - HN ALA 84 7.143% * 0.0697% (0.58 1.0 0.02 0.02) = 0.070% HB3 LEU 73 - HN ALA 84 7.143% * 0.0639% (0.53 1.0 0.02 0.02) = 0.064% HG3 LYS+ 65 - HN ALA 84 7.143% * 0.0527% (0.44 1.0 0.02 0.02) = 0.053% HB VAL 42 - HN ALA 84 7.143% * 0.0527% (0.44 1.0 0.02 0.02) = 0.053% HB3 ASP- 44 - HN ALA 84 7.143% * 0.0424% (0.35 1.0 0.02 0.02) = 0.042% HG3 LYS+ 33 - HN ALA 84 7.143% * 0.0424% (0.35 1.0 0.02 0.17) = 0.042% HB3 LEU 80 - HN ALA 84 7.143% * 0.0189% (0.16 1.0 0.02 0.02) = 0.019% Peak 786 (0.60, 7.58, 119.96 ppm): 6 chemical-shift based assignments, quality = 0.585, support = 5.13, residual support = 29.9: QG1 VAL 83 - HN ALA 84 16.667% * 93.6665% (0.58 5.47 31.89) = 93.666% kept QD2 LEU 80 - HN ALA 84 16.667% * 3.4868% (0.92 0.13 0.02) = 3.487% kept QD1 LEU 63 - HN ALA 84 16.667% * 1.4496% (0.49 0.10 0.11) = 1.450% kept QD1 LEU 104 - HN ALA 84 16.667% * 0.5864% (1.00 0.02 0.02) = 0.586% QD2 LEU 115 - HN ALA 84 16.667% * 0.5243% (0.89 0.02 0.02) = 0.524% QD1 LEU 73 - HN ALA 84 16.667% * 0.2864% (0.49 0.02 0.02) = 0.286% Peak 787 (0.07, 7.58, 119.96 ppm): 3 chemical-shift based assignments, quality = 0.612, support = 5.09, residual support = 28.0: QG2 VAL 83 - HN ALA 84 33.333% * 79.6906% (0.68 5.71 31.89) = 79.691% kept QD1 ILE 89 - HN ALA 84 33.333% * 19.8996% (0.35 2.73 13.06) = 19.900% kept QD2 LEU 31 - HN ALA 84 33.333% * 0.4097% (1.00 0.02 0.02) = 0.410% Peak 788 (4.00, 6.59, 123.60 ppm): 10 chemical-shift based assignments, quality = 0.698, support = 3.09, residual support = 10.2: HB2 SER 82 - HN VAL 83 10.000% * 75.1148% (0.75 3.92 13.60) = 75.115% kept HA LYS+ 33 - HN VAL 83 10.000% * 12.2240% (0.65 0.75 0.02) = 12.224% kept HA VAL 18 - HN VAL 83 10.000% * 4.9012% (0.75 0.26 0.02) = 4.901% kept HD2 PRO 52 - HN VAL 83 10.000% * 3.3948% (0.16 0.83 0.02) = 3.395% kept HA ALA 88 - HN VAL 83 10.000% * 1.8903% (0.33 0.22 0.02) = 1.890% kept HA GLN 32 - HN VAL 83 10.000% * 1.4517% (0.30 0.19 0.02) = 1.452% kept HA GLU- 29 - HN VAL 83 10.000% * 0.3722% (0.73 0.02 0.02) = 0.372% HA SER 48 - HN VAL 83 10.000% * 0.2782% (0.55 0.02 0.02) = 0.278% HA GLN 116 - HN VAL 83 10.000% * 0.1865% (0.37 0.02 0.02) = 0.186% HA VAL 70 - HN VAL 83 10.000% * 0.1865% (0.37 0.02 0.02) = 0.186% Peak 789 (3.82, 6.59, 123.60 ppm): 6 chemical-shift based assignments, quality = 0.408, support = 4.13, residual support = 63.6: O HA VAL 83 - HN VAL 83 16.667% * 84.9493% (0.37 10.0 4.62 74.65) = 84.949% kept HB2 CYS 53 - HN VAL 83 16.667% * 12.4359% (0.72 1.0 1.50 1.63) = 12.436% kept HD3 PRO 52 - HN VAL 83 16.667% * 2.3513% (0.30 1.0 0.68 0.02) = 2.351% kept HD2 PRO 58 - HN VAL 83 16.667% * 0.1016% (0.44 1.0 0.02 0.02) = 0.102% HA GLN 30 - HN VAL 83 16.667% * 0.0849% (0.37 1.0 0.02 0.02) = 0.085% HA GLU- 100 - HN VAL 83 16.667% * 0.0769% (0.33 1.0 0.02 0.02) = 0.077% Peak 790 (1.66, 6.59, 123.60 ppm): 8 chemical-shift based assignments, quality = 0.739, support = 4.65, residual support = 74.0: O HB VAL 83 - HN VAL 83 12.500% * 99.1536% (0.75 10.0 4.69 74.65) = 99.154% kept HB2 LYS+ 121 - HN VAL 83 12.500% * 0.4851% (0.70 1.0 0.10 0.02) = 0.485% QD LYS+ 38 - HN VAL 83 12.500% * 0.0992% (0.75 1.0 0.02 0.02) = 0.099% QD LYS+ 65 - HN VAL 83 12.500% * 0.0954% (0.72 1.0 0.02 0.02) = 0.095% QD LYS+ 102 - HN VAL 83 12.500% * 0.0633% (0.48 1.0 0.02 0.02) = 0.063% HG3 PRO 93 - HN VAL 83 12.500% * 0.0398% (0.30 1.0 0.02 0.02) = 0.040% HB2 LEU 123 - HN VAL 83 12.500% * 0.0356% (0.27 1.0 0.02 0.02) = 0.036% HD2 LYS+ 74 - HN VAL 83 12.500% * 0.0279% (0.21 1.0 0.02 0.02) = 0.028% Peak 791 (1.39, 6.59, 123.60 ppm): 12 chemical-shift based assignments, quality = 0.57, support = 0.02, residual support = 0.02: HG3 LYS+ 33 - HN VAL 83 8.333% * 12.3989% (0.72 0.02 0.02) = 12.399% kept HG3 LYS+ 65 - HN VAL 83 8.333% * 11.6302% (0.67 0.02 0.02) = 11.630% kept HB VAL 42 - HN VAL 83 8.333% * 11.6302% (0.67 0.02 0.02) = 11.630% kept QB ALA 12 - HN VAL 83 8.333% * 11.6302% (0.67 0.02 0.02) = 11.630% kept HB3 LEU 73 - HN VAL 83 8.333% * 10.6335% (0.62 0.02 0.02) = 10.633% kept HG3 LYS+ 102 - HN VAL 83 8.333% * 10.0705% (0.58 0.02 0.02) = 10.070% kept HB2 LYS+ 112 - HN VAL 83 8.333% * 8.8605% (0.51 0.02 0.02) = 8.861% kept QB LEU 98 - HN VAL 83 8.333% * 7.5989% (0.44 0.02 0.02) = 7.599% kept HG3 LYS+ 106 - HN VAL 83 8.333% * 6.9700% (0.40 0.02 0.02) = 6.970% kept HB3 LYS+ 74 - HN VAL 83 8.333% * 3.6285% (0.21 0.02 0.02) = 3.628% kept HD3 LYS+ 121 - HN VAL 83 8.333% * 3.1823% (0.18 0.02 0.02) = 3.182% kept HB2 LEU 80 - HN VAL 83 8.333% * 1.7662% (0.10 0.02 0.02) = 1.766% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 792 (0.61, 6.59, 123.60 ppm): 5 chemical-shift based assignments, quality = 0.654, support = 4.38, residual support = 57.4: QG1 VAL 83 - HN VAL 83 20.000% * 76.5603% (0.75 5.27 74.65) = 76.560% kept QG2 ILE 89 - HN VAL 83 20.000% * 13.7764% (0.37 1.92 1.65) = 13.776% kept QD1 LEU 104 - HN VAL 83 20.000% * 6.6568% (0.40 0.85 0.02) = 6.657% kept QD2 LEU 80 - HN VAL 83 20.000% * 2.9347% (0.21 0.72 0.02) = 2.935% kept QD2 LEU 115 - HN VAL 83 20.000% * 0.0717% (0.18 0.02 0.02) = 0.072% Peak 793 (0.09, 6.59, 123.60 ppm): 3 chemical-shift based assignments, quality = 0.728, support = 4.21, residual support = 53.8: QG2 VAL 83 - HN VAL 83 33.333% * 71.4955% (0.73 5.08 74.65) = 71.496% kept QD1 ILE 89 - HN VAL 83 33.333% * 28.3634% (0.72 2.06 1.65) = 28.363% kept QD2 LEU 31 - HN VAL 83 33.333% * 0.1411% (0.37 0.02 0.02) = 0.141% Peak 794 (4.01, 8.64, 114.33 ppm): 9 chemical-shift based assignments, quality = 0.814, support = 3.76, residual support = 24.6: O HB2 SER 82 - HN SER 82 11.111% * 94.5994% (0.81 10.0 3.94 26.02) = 94.599% kept HA LYS+ 33 - HN SER 82 11.111% * 4.3398% (1.00 1.0 0.75 0.56) = 4.340% kept HA VAL 18 - HN SER 82 11.111% * 0.6798% (0.89 1.0 0.13 0.02) = 0.680% HA GLU- 29 - HN SER 82 11.111% * 0.1072% (0.92 1.0 0.02 0.02) = 0.107% HA VAL 70 - HN SER 82 11.111% * 0.0993% (0.85 1.0 0.02 0.02) = 0.099% HA GLN 116 - HN SER 82 11.111% * 0.0993% (0.85 1.0 0.02 0.02) = 0.099% HA SER 48 - HN SER 82 11.111% * 0.0412% (0.35 1.0 0.02 0.02) = 0.041% HA ALA 88 - HN SER 82 11.111% * 0.0184% (0.16 1.0 0.02 0.02) = 0.018% HA GLN 32 - HN SER 82 11.111% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% Peak 795 (3.87, 8.64, 114.33 ppm): 6 chemical-shift based assignments, quality = 0.601, support = 3.2, residual support = 24.5: O HB3 SER 82 - HN SER 82 16.667% * 94.1574% (0.58 10.0 3.37 26.02) = 94.157% kept HA ILE 89 - HN SER 82 16.667% * 5.2605% (1.00 1.0 0.65 0.02) = 5.261% kept HB3 SER 37 - HN SER 82 16.667% * 0.1617% (1.00 1.0 0.02 0.02) = 0.162% HB THR 39 - HN SER 82 16.667% * 0.1536% (0.95 1.0 0.02 0.02) = 0.154% QB SER 13 - HN SER 82 16.667% * 0.1493% (0.92 1.0 0.02 0.02) = 0.149% HB THR 118 - HN SER 82 16.667% * 0.1174% (0.73 1.0 0.02 0.02) = 0.117% Peak 796 (1.87, 8.64, 114.33 ppm): 12 chemical-shift based assignments, quality = 0.89, support = 2.92, residual support = 6.56: QB LYS+ 81 - HN SER 82 8.333% * 67.9704% (0.95 4.01 9.48) = 67.970% kept QB LYS+ 33 - HN SER 82 8.333% * 10.9006% (0.81 0.75 0.56) = 10.901% kept HB3 ASP- 105 - HN SER 82 8.333% * 10.3008% (0.68 0.85 0.56) = 10.301% kept QB LYS+ 106 - HN SER 82 8.333% * 5.5443% (0.97 0.32 0.02) = 5.544% kept HG2 ARG+ 54 - HN SER 82 8.333% * 1.6630% (0.63 0.15 0.02) = 1.663% kept HB3 GLN 90 - HN SER 82 8.333% * 1.6419% (0.89 0.10 0.02) = 1.642% kept HB ILE 103 - HN SER 82 8.333% * 1.0444% (0.58 0.10 0.02) = 1.044% kept HB ILE 56 - HN SER 82 8.333% * 0.2907% (0.81 0.02 0.02) = 0.291% HB3 LYS+ 38 - HN SER 82 8.333% * 0.2250% (0.63 0.02 0.02) = 0.225% HG3 PRO 68 - HN SER 82 8.333% * 0.1905% (0.53 0.02 0.02) = 0.191% HB3 GLN 30 - HN SER 82 8.333% * 0.1415% (0.40 0.02 0.02) = 0.141% HB2 MET 92 - HN SER 82 8.333% * 0.0870% (0.24 0.02 0.02) = 0.087% Peak 798 (0.61, 8.64, 114.33 ppm): 7 chemical-shift based assignments, quality = 0.824, support = 2.94, residual support = 9.63: QG1 VAL 83 - HN SER 82 14.286% * 70.6379% (0.92 3.82 13.60) = 70.638% kept QD2 LEU 80 - HN SER 82 14.286% * 13.3431% (0.58 1.14 0.15) = 13.343% kept QD1 LEU 104 - HN SER 82 14.286% * 9.6592% (0.85 0.56 0.10) = 9.659% kept QD1 LEU 63 - HN SER 82 14.286% * 2.1977% (0.18 0.60 0.02) = 2.198% kept QD1 LEU 73 - HN SER 82 14.286% * 2.1143% (0.18 0.57 0.02) = 2.114% kept QG2 ILE 89 - HN SER 82 14.286% * 1.8337% (0.21 0.43 0.02) = 1.834% kept QD2 LEU 115 - HN SER 82 14.286% * 0.2140% (0.53 0.02 0.02) = 0.214% Peak 799 (1.87, 7.29, 121.74 ppm): 12 chemical-shift based assignments, quality = 0.926, support = 5.15, residual support = 70.7: O QB LYS+ 81 - HN LYS+ 81 8.333% * 83.5232% (0.95 10.0 5.44 83.78) = 83.523% kept QB LYS+ 33 - HN LYS+ 81 8.333% * 14.7628% (0.81 1.0 4.12 5.24) = 14.763% kept QB LYS+ 106 - HN LYS+ 81 8.333% * 1.2390% (0.97 1.0 0.29 0.02) = 1.239% kept HB3 GLN 90 - HN LYS+ 81 8.333% * 0.0783% (0.89 1.0 0.02 0.02) = 0.078% HB ILE 56 - HN LYS+ 81 8.333% * 0.0716% (0.81 1.0 0.02 0.02) = 0.072% HB3 ASP- 105 - HN LYS+ 81 8.333% * 0.0597% (0.68 1.0 0.02 0.02) = 0.060% HB3 LYS+ 38 - HN LYS+ 81 8.333% * 0.0555% (0.63 1.0 0.02 0.02) = 0.055% HG2 ARG+ 54 - HN LYS+ 81 8.333% * 0.0555% (0.63 1.0 0.02 0.02) = 0.055% HB ILE 103 - HN LYS+ 81 8.333% * 0.0512% (0.58 1.0 0.02 0.02) = 0.051% HG3 PRO 68 - HN LYS+ 81 8.333% * 0.0470% (0.53 1.0 0.02 0.02) = 0.047% HB3 GLN 30 - HN LYS+ 81 8.333% * 0.0349% (0.40 1.0 0.02 0.02) = 0.035% HB2 MET 92 - HN LYS+ 81 8.333% * 0.0214% (0.24 1.0 0.02 0.02) = 0.021% Peak 800 (1.55, 7.29, 121.74 ppm): 5 chemical-shift based assignments, quality = 0.94, support = 3.71, residual support = 63.1: QG LYS+ 81 - HN LYS+ 81 20.000% * 73.9322% (0.95 4.60 83.78) = 73.932% kept HG2 LYS+ 33 - HN LYS+ 81 20.000% * 21.6470% (0.92 1.39 5.24) = 21.647% kept HG2 LYS+ 106 - HN LYS+ 81 20.000% * 4.2867% (0.89 0.28 0.02) = 4.287% kept HD3 LYS+ 74 - HN LYS+ 81 20.000% * 0.0719% (0.21 0.02 0.02) = 0.072% HB3 LYS+ 111 - HN LYS+ 81 20.000% * 0.0623% (0.18 0.02 0.02) = 0.062% Peak 801 (0.58, 7.29, 121.74 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 2.61, residual support = 6.25: QD2 LEU 80 - HN LYS+ 81 14.286% * 27.9323% (0.40 4.98 19.64) = 27.932% kept QD1 LEU 63 - HN LYS+ 81 14.286% * 22.9966% (0.85 1.90 1.43) = 22.997% kept QD2 LEU 63 - HN LYS+ 81 14.286% * 21.2105% (0.77 1.94 1.43) = 21.210% kept QD1 LEU 73 - HN LYS+ 81 14.286% * 18.9435% (0.85 1.57 0.69) = 18.943% kept QD2 LEU 115 - HN LYS+ 81 14.286% * 6.0928% (0.44 0.98 0.02) = 6.093% kept QD1 LEU 104 - HN LYS+ 81 14.286% * 1.4536% (0.18 0.56 0.13) = 1.454% kept QG2 VAL 41 - HN LYS+ 81 14.286% * 1.3708% (0.16 0.61 0.02) = 1.371% kept Peak 802 (2.91, 8.02, 121.50 ppm): 6 chemical-shift based assignments, quality = 0.537, support = 3.4, residual support = 12.1: HB2 ASP- 78 - HN GLU- 79 16.667% * 73.9330% (0.59 4.31 16.18) = 73.933% kept HB2 ASP- 76 - HN GLU- 79 16.667% * 11.3660% (0.47 0.83 0.64) = 11.366% kept HB2 ASN 69 - HN GLU- 79 16.667% * 7.5702% (0.38 0.68 0.36) = 7.570% kept QE LYS+ 33 - HN GLU- 79 16.667% * 6.9767% (0.24 1.00 0.32) = 6.977% kept HB2 ASN 28 - HN GLU- 79 16.667% * 0.0982% (0.17 0.02 0.02) = 0.098% QE LYS+ 65 - HN GLU- 79 16.667% * 0.0559% (0.10 0.02 0.02) = 0.056% Peak 804 (2.34, 8.02, 121.50 ppm): 4 chemical-shift based assignments, quality = 0.253, support = 0.104, residual support = 0.02: HG2 PRO 52 - HN GLU- 79 25.000% * 62.4248% (0.19 0.16 0.02) = 62.425% kept HB2 PRO 58 - HN GLU- 79 25.000% * 18.5269% (0.44 0.02 0.02) = 18.527% kept HG3 GLU- 25 - HN GLU- 79 25.000% * 13.6266% (0.33 0.02 0.02) = 13.627% kept HB3 PHE 97 - HN GLU- 79 25.000% * 5.4218% (0.13 0.02 0.02) = 5.422% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 805 (2.15, 8.02, 121.50 ppm): 5 chemical-shift based assignments, quality = 0.577, support = 2.64, residual support = 44.3: O HB3 GLU- 79 - HN GLU- 79 20.000% * 99.6854% (0.58 10.0 2.65 44.44) = 99.685% kept QB GLU- 36 - HN GLU- 79 20.000% * 0.1036% (0.60 1.0 0.02 0.02) = 0.104% HB3 GLU- 29 - HN GLU- 79 20.000% * 0.0935% (0.54 1.0 0.02 0.02) = 0.094% HB2 GLN 90 - HN GLU- 79 20.000% * 0.0712% (0.41 1.0 0.02 0.02) = 0.071% HG3 GLU- 29 - HN GLU- 79 20.000% * 0.0462% (0.27 1.0 0.02 0.02) = 0.046% Peak 819 (2.79, 8.52, 119.25 ppm): 4 chemical-shift based assignments, quality = 0.435, support = 3.4, residual support = 31.9: O HB3 ASP- 78 - HN ASP- 78 25.000% * 86.3986% (0.35 10.0 3.77 36.84) = 86.399% kept QE LYS+ 74 - HN ASP- 78 25.000% * 13.2398% (0.97 1.0 1.12 0.94) = 13.240% kept QB CYS 50 - HN ASP- 78 25.000% * 0.2315% (0.95 1.0 0.02 0.02) = 0.231% HB3 ASN 69 - HN ASP- 78 25.000% * 0.1301% (0.53 1.0 0.02 0.02) = 0.130% Peak 820 (2.91, 8.52, 119.25 ppm): 6 chemical-shift based assignments, quality = 0.933, support = 5.2, residual support = 31.2: O HB2 ASP- 78 - HN ASP- 78 16.667% * 82.2552% (0.97 10.0 5.35 36.84) = 82.255% kept HB2 ASP- 76 - HN ASP- 78 16.667% * 16.0312% (0.77 1.0 4.91 5.31) = 16.031% kept HB2 ASN 69 - HN ASP- 78 16.667% * 1.6431% (0.63 1.0 0.62 0.02) = 1.643% kept QE LYS+ 33 - HN ASP- 78 16.667% * 0.0336% (0.40 1.0 0.02 0.14) = 0.034% HB2 ASN 28 - HN ASP- 78 16.667% * 0.0235% (0.28 1.0 0.02 0.02) = 0.024% QE LYS+ 65 - HN ASP- 78 16.667% * 0.0134% (0.16 1.0 0.02 0.02) = 0.013% Peak 821 (3.59, 8.52, 119.25 ppm): 3 chemical-shift based assignments, quality = 0.891, support = 4.02, residual support = 20.7: O HA THR 77 - HN ASP- 78 33.333% * 99.9696% (0.89 10.0 4.02 20.68) = 99.970% kept HD2 PRO 93 - HN ASP- 78 33.333% * 0.0152% (0.14 1.0 0.02 0.02) = 0.015% HB2 TRP 27 - HN ASP- 78 33.333% * 0.0152% (0.14 1.0 0.02 0.02) = 0.015% Peak 822 (5.01, 8.52, 119.25 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 2.78, residual support = 5.3: HA ASP- 76 - HN ASP- 78 50.000% * 99.7841% (0.92 2.78 5.31) = 99.784% kept HA LEU 67 - HN ASP- 78 50.000% * 0.2159% (0.28 0.02 0.02) = 0.216% Peak 823 (3.58, 9.27, 119.07 ppm): 3 chemical-shift based assignments, quality = 0.971, support = 3.99, residual support = 31.7: O HA THR 77 - HN THR 77 33.333% * 99.9093% (0.97 10.0 3.99 31.72) = 99.909% kept HD2 PRO 93 - HN THR 77 33.333% * 0.0453% (0.44 1.0 0.02 0.02) = 0.045% HB2 TRP 27 - HN THR 77 33.333% * 0.0453% (0.44 1.0 0.02 0.02) = 0.045% Peak 824 (2.90, 9.27, 119.07 ppm): 4 chemical-shift based assignments, quality = 0.877, support = 3.35, residual support = 12.7: HB2 ASP- 76 - HN THR 77 25.000% * 63.0799% (1.00 3.56 8.11) = 63.080% kept HB2 ASP- 78 - HN THR 77 25.000% * 36.5340% (0.68 3.03 20.68) = 36.534% kept HB2 ASN 69 - HN THR 77 25.000% * 0.3379% (0.95 0.02 0.02) = 0.338% QE LYS+ 33 - HN THR 77 25.000% * 0.0481% (0.14 0.02 0.02) = 0.048% Peak 825 (2.24, 9.27, 119.07 ppm): 8 chemical-shift based assignments, quality = 0.416, support = 2.45, residual support = 6.04: HB3 ASP- 76 - HN THR 77 12.500% * 73.7540% (0.44 3.09 8.11) = 73.754% kept HG2 GLU- 100 - HN THR 77 12.500% * 15.2557% (0.35 0.80 0.34) = 15.256% kept QG GLN 90 - HN THR 77 12.500% * 7.2695% (0.21 0.63 0.16) = 7.270% kept HG3 MET 92 - HN THR 77 12.500% * 1.0821% (1.00 0.02 0.02) = 1.082% kept HB2 GLU- 29 - HN THR 77 12.500% * 1.0514% (0.97 0.02 0.02) = 1.051% kept HB2 ASP- 105 - HN THR 77 12.500% * 0.7858% (0.73 0.02 0.02) = 0.786% HG12 ILE 119 - HN THR 77 12.500% * 0.6301% (0.58 0.02 0.02) = 0.630% HB3 PHE 72 - HN THR 77 12.500% * 0.1713% (0.16 0.02 0.02) = 0.171% Peak 826 (1.32, 9.27, 119.07 ppm): 8 chemical-shift based assignments, quality = 0.612, support = 2.25, residual support = 16.6: QG2 THR 77 - HN THR 77 12.500% * 52.3214% (0.49 3.63 31.72) = 52.321% kept HG2 LYS+ 99 - HN THR 77 12.500% * 17.6675% (0.85 0.70 0.02) = 17.668% kept HG2 LYS+ 111 - HN THR 77 12.500% * 16.5875% (0.53 1.05 0.13) = 16.587% kept HG2 LYS+ 38 - HN THR 77 12.500% * 12.3421% (0.95 0.44 0.02) = 12.342% kept QB ALA 88 - HN THR 77 12.500% * 0.5468% (0.92 0.02 0.02) = 0.547% HB2 LEU 31 - HN THR 77 12.500% * 0.2611% (0.44 0.02 0.02) = 0.261% HB3 LEU 80 - HN THR 77 12.500% * 0.1647% (0.28 0.02 0.36) = 0.165% HB2 LEU 63 - HN THR 77 12.500% * 0.1090% (0.18 0.02 0.02) = 0.109% Peak 827 (0.38, 9.27, 119.07 ppm): 4 chemical-shift based assignments, quality = 0.751, support = 1.72, residual support = 1.19: QB ALA 47 - HN THR 77 25.000% * 52.2408% (0.85 1.93 1.49) = 52.241% kept QG1 VAL 42 - HN THR 77 25.000% * 37.6008% (0.73 1.64 1.07) = 37.601% kept HG2 LYS+ 112 - HN THR 77 25.000% * 10.0041% (0.31 1.00 0.12) = 10.004% kept QB ALA 64 - HN THR 77 25.000% * 0.1544% (0.24 0.02 0.02) = 0.154% Peak 828 (3.72, 8.53, 128.95 ppm): 3 chemical-shift based assignments, quality = 0.949, support = 4.69, residual support = 71.6: O HA VAL 75 - HN VAL 75 33.333% * 99.8755% (0.95 10.0 4.69 71.74) = 99.876% kept HD3 PRO 58 - HN VAL 75 33.333% * 0.1021% (0.97 1.0 0.02 0.02) = 0.102% HA ALA 61 - HN VAL 75 33.333% * 0.0223% (0.21 1.0 0.02 0.02) = 0.022% Peak 829 (2.28, 8.53, 128.95 ppm): 7 chemical-shift based assignments, quality = 0.744, support = 0.592, residual support = 2.27: HB2 ASP- 44 - HN VAL 75 14.286% * 55.1862% (0.81 0.79 0.56) = 55.186% kept HB3 PHE 72 - HN VAL 75 14.286% * 24.2824% (0.68 0.42 8.06) = 24.282% kept QG GLN 90 - HN VAL 75 14.286% * 15.8229% (0.58 0.32 0.02) = 15.823% kept QG GLU- 15 - HN VAL 75 14.286% * 1.5736% (0.92 0.02 0.02) = 1.574% kept QB MET 11 - HN VAL 75 14.286% * 1.4573% (0.85 0.02 0.02) = 1.457% kept QG GLU- 14 - HN VAL 75 14.286% * 1.3154% (0.77 0.02 0.02) = 1.315% kept HG12 ILE 119 - HN VAL 75 14.286% * 0.3622% (0.21 0.02 0.02) = 0.362% Peak 830 (1.43, 8.53, 128.95 ppm): 11 chemical-shift based assignments, quality = 0.732, support = 0.716, residual support = 0.469: HG LEU 73 - HN VAL 75 9.091% * 58.5634% (0.68 1.11 0.79) = 58.563% kept HB3 LEU 67 - HN VAL 75 9.091% * 18.4510% (1.00 0.24 0.02) = 18.451% kept QG LYS+ 66 - HN VAL 75 9.091% * 7.0813% (0.89 0.10 0.02) = 7.081% kept QB ALA 110 - HN VAL 75 9.091% * 5.7596% (0.77 0.10 0.02) = 5.760% kept HB2 LEU 80 - HN VAL 75 9.091% * 4.0595% (0.21 0.24 0.02) = 4.060% kept QB ALA 61 - HN VAL 75 9.091% * 1.5166% (0.97 0.02 0.02) = 1.517% kept HG LEU 80 - HN VAL 75 9.091% * 1.2718% (0.81 0.02 0.02) = 1.272% kept HG LEU 40 - HN VAL 75 9.091% * 1.1562% (0.16 0.09 0.02) = 1.156% kept HG12 ILE 19 - HN VAL 75 9.091% * 1.0598% (0.68 0.02 0.02) = 1.060% kept HG2 LYS+ 102 - HN VAL 75 9.091% * 0.8337% (0.53 0.02 0.02) = 0.834% HB3 LEU 115 - HN VAL 75 9.091% * 0.2471% (0.16 0.02 0.02) = 0.247% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 831 (1.26, 8.53, 128.95 ppm): 10 chemical-shift based assignments, quality = 0.369, support = 4.6, residual support = 15.6: HG2 LYS+ 74 - HN VAL 75 10.000% * 84.4149% (0.31 5.42 18.48) = 84.415% kept QB ALA 91 - HN VAL 75 10.000% * 10.8923% (0.95 0.23 0.02) = 10.892% kept HG3 LYS+ 38 - HN VAL 75 10.000% * 0.9607% (0.97 0.02 0.02) = 0.961% QG2 THR 39 - HN VAL 75 10.000% * 0.9394% (0.95 0.02 0.02) = 0.939% QG2 ILE 56 - HN VAL 75 10.000% * 0.8056% (0.81 0.02 0.02) = 0.806% HG13 ILE 19 - HN VAL 75 10.000% * 0.5757% (0.58 0.02 0.02) = 0.576% QB ALA 34 - HN VAL 75 10.000% * 0.5757% (0.58 0.02 0.02) = 0.576% HG3 LYS+ 99 - HN VAL 75 10.000% * 0.3506% (0.35 0.02 0.02) = 0.351% HG LEU 71 - HN VAL 75 10.000% * 0.2749% (0.28 0.02 0.02) = 0.275% QG2 THR 23 - HN VAL 75 10.000% * 0.2101% (0.21 0.02 0.15) = 0.210% Peak 832 (1.00, 8.53, 128.95 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 4.23, residual support = 65.5: O HB VAL 75 - HN VAL 75 16.667% * 88.7419% (0.92 10.0 4.09 71.74) = 88.742% kept HG3 LYS+ 74 - HN VAL 75 16.667% * 10.1569% (0.35 1.0 5.96 18.48) = 10.157% kept QD1 LEU 67 - HN VAL 75 16.667% * 0.9761% (0.63 1.0 0.32 0.02) = 0.976% QD2 LEU 40 - HN VAL 75 16.667% * 0.0653% (0.68 1.0 0.02 0.02) = 0.065% QG2 ILE 103 - HN VAL 75 16.667% * 0.0468% (0.49 1.0 0.02 0.02) = 0.047% QD1 ILE 119 - HN VAL 75 16.667% * 0.0130% (0.14 1.0 0.02 0.02) = 0.013% Peak 833 (0.76, 8.53, 128.95 ppm): 7 chemical-shift based assignments, quality = 0.51, support = 0.941, residual support = 0.561: QD2 LEU 73 - HN VAL 75 14.286% * 50.4294% (0.28 1.62 0.79) = 50.429% kept QG2 THR 46 - HN VAL 75 14.286% * 23.1031% (0.58 0.35 0.69) = 23.103% kept QG1 VAL 43 - HN VAL 75 14.286% * 21.1417% (0.95 0.20 0.02) = 21.142% kept QG1 VAL 41 - HN VAL 75 14.286% * 2.2341% (1.00 0.02 0.02) = 2.234% kept QG2 VAL 18 - HN VAL 75 14.286% * 1.6275% (0.73 0.02 0.02) = 1.628% kept HG LEU 31 - HN VAL 75 14.286% * 0.9879% (0.44 0.02 0.02) = 0.988% QD1 ILE 19 - HN VAL 75 14.286% * 0.4763% (0.21 0.02 0.02) = 0.476% Peak 834 (0.45, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.888, support = 4.57, residual support = 71.5: QG1 VAL 75 - HN VAL 75 50.000% * 99.6687% (0.89 4.58 71.74) = 99.669% kept QD1 LEU 115 - HN VAL 75 50.000% * 0.3313% (0.68 0.02 0.02) = 0.331% Peak 835 (0.11, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.335, support = 4.02, residual support = 62.0: QG2 VAL 75 - HN VAL 75 50.000% * 86.4239% (0.35 4.47 71.74) = 86.424% kept QG2 VAL 42 - HN VAL 75 50.000% * 13.5761% (0.21 1.17 0.11) = 13.576% kept Peak 836 (1.41, 8.48, 121.30 ppm): 10 chemical-shift based assignments, quality = 0.69, support = 3.49, residual support = 147.0: O HB3 LYS+ 74 - HN LYS+ 74 10.000% * 93.4909% (0.71 10.0 3.65 157.02) = 93.491% kept HG12 ILE 19 - HN LYS+ 74 10.000% * 3.7119% (0.34 1.0 1.63 5.32) = 3.712% kept HD3 LYS+ 121 - HN LYS+ 74 10.000% * 2.3901% (0.71 1.0 0.51 0.15) = 2.390% kept HG LEU 80 - HN LYS+ 74 10.000% * 0.1287% (0.25 1.0 0.08 0.02) = 0.129% HB2 LEU 80 - HN LYS+ 74 10.000% * 0.0891% (0.67 1.0 0.02 0.02) = 0.089% QB LEU 98 - HN LYS+ 74 10.000% * 0.0764% (0.58 1.0 0.02 0.02) = 0.076% QB ALA 12 - HN LYS+ 74 10.000% * 0.0457% (0.34 1.0 0.02 0.02) = 0.046% QB ALA 110 - HN LYS+ 74 10.000% * 0.0372% (0.28 1.0 0.02 0.02) = 0.037% QB ALA 61 - HN LYS+ 74 10.000% * 0.0173% (0.13 1.0 0.02 0.02) = 0.017% HG3 LYS+ 33 - HN LYS+ 74 10.000% * 0.0127% (0.10 1.0 0.02 0.02) = 0.013% Peak 837 (0.80, 8.48, 121.30 ppm): 4 chemical-shift based assignments, quality = 0.299, support = 2.53, residual support = 9.87: QD2 LEU 73 - HN LYS+ 74 25.000% * 52.7735% (0.11 4.41 18.59) = 52.773% kept HG3 LYS+ 121 - HN LYS+ 74 25.000% * 24.0716% (0.70 0.32 0.15) = 24.072% kept QD2 LEU 123 - HN LYS+ 74 25.000% * 19.9555% (0.31 0.60 0.11) = 19.955% kept QD1 ILE 56 - HN LYS+ 74 25.000% * 3.1995% (0.28 0.11 0.02) = 3.199% kept Peak 838 (1.70, 8.48, 121.30 ppm): 9 chemical-shift based assignments, quality = 0.558, support = 3.82, residual support = 16.3: HB2 LEU 73 - HN LYS+ 74 11.111% * 87.8767% (0.61 4.28 18.59) = 87.877% kept HB2 LEU 123 - HN LYS+ 74 11.111% * 5.3692% (0.17 0.92 0.11) = 5.369% kept HB3 MET 92 - HN LYS+ 74 11.111% * 2.7182% (0.48 0.17 0.02) = 2.718% kept HG3 PRO 93 - HN LYS+ 74 11.111% * 1.9041% (0.15 0.37 0.02) = 1.904% kept HB3 LYS+ 99 - HN LYS+ 74 11.111% * 0.7108% (0.22 0.09 0.02) = 0.711% QD LYS+ 99 - HN LYS+ 74 11.111% * 0.4787% (0.71 0.02 0.02) = 0.479% QD LYS+ 106 - HN LYS+ 74 11.111% * 0.4741% (0.70 0.02 0.02) = 0.474% HD2 LYS+ 111 - HN LYS+ 74 11.111% * 0.2565% (0.38 0.02 0.02) = 0.256% QG1 ILE 56 - HN LYS+ 74 11.111% * 0.2117% (0.31 0.02 0.02) = 0.212% Peak 839 (1.82, 8.48, 121.30 ppm): 9 chemical-shift based assignments, quality = 0.442, support = 0.264, residual support = 0.447: HG LEU 123 - HN LYS+ 74 11.111% * 39.3479% (0.45 0.35 0.11) = 39.348% kept HG12 ILE 103 - HN LYS+ 74 11.111% * 22.0691% (0.65 0.13 0.02) = 22.069% kept HB2 LEU 71 - HN LYS+ 74 11.111% * 19.8256% (0.17 0.45 1.99) = 19.826% kept QB LYS+ 102 - HN LYS+ 74 11.111% * 6.0903% (0.28 0.09 0.02) = 6.090% kept HB VAL 41 - HN LYS+ 74 11.111% * 3.5722% (0.71 0.02 0.02) = 3.572% kept QB LYS+ 66 - HN LYS+ 74 11.111% * 3.4048% (0.67 0.02 0.02) = 3.405% kept HG2 PRO 93 - HN LYS+ 74 11.111% * 2.4331% (0.48 0.02 0.02) = 2.433% kept HB3 PRO 52 - HN LYS+ 74 11.111% * 2.2605% (0.45 0.02 0.02) = 2.261% kept QB LYS+ 65 - HN LYS+ 74 11.111% * 0.9964% (0.20 0.02 0.02) = 0.996% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 840 (2.28, 8.95, 120.59 ppm): 7 chemical-shift based assignments, quality = 0.705, support = 3.97, residual support = 21.8: HB3 PHE 72 - HN LEU 73 14.286% * 70.5507% (0.68 5.03 30.03) = 70.551% kept HB2 ASP- 44 - HN LEU 73 14.286% * 26.3953% (0.81 1.57 2.50) = 26.395% kept QG GLN 90 - HN LEU 73 14.286% * 1.9133% (0.58 0.16 0.02) = 1.913% kept QG GLU- 15 - HN LEU 73 14.286% * 0.3812% (0.92 0.02 0.02) = 0.381% QB MET 11 - HN LEU 73 14.286% * 0.3531% (0.85 0.02 0.02) = 0.353% QG GLU- 14 - HN LEU 73 14.286% * 0.3187% (0.77 0.02 0.02) = 0.319% HG12 ILE 119 - HN LEU 73 14.286% * 0.0878% (0.21 0.02 0.02) = 0.088% Peak 841 (1.69, 8.95, 120.59 ppm): 8 chemical-shift based assignments, quality = 0.98, support = 5.56, residual support = 122.8: O HB2 LEU 73 - HN LEU 73 12.500% * 99.2207% (0.99 10.0 5.60 123.80) = 99.221% kept HD2 LYS+ 111 - HN LEU 73 12.500% * 0.3547% (0.92 1.0 0.08 0.13) = 0.355% HB3 MET 92 - HN LEU 73 12.500% * 0.0992% (0.99 1.0 0.02 0.02) = 0.099% QD LYS+ 106 - HN LEU 73 12.500% * 0.0859% (0.85 1.0 0.02 0.74) = 0.086% QD LYS+ 99 - HN LEU 73 12.500% * 0.0819% (0.81 1.0 0.02 0.02) = 0.082% HB2 LEU 123 - HN LEU 73 12.500% * 0.0634% (0.63 1.0 0.02 0.02) = 0.063% HG3 PRO 93 - HN LEU 73 12.500% * 0.0585% (0.58 1.0 0.02 0.02) = 0.059% QD LYS+ 102 - HN LEU 73 12.500% * 0.0356% (0.35 1.0 0.02 0.02) = 0.036% Peak 842 (1.40, 8.95, 120.59 ppm): 12 chemical-shift based assignments, quality = 0.452, support = 4.54, residual support = 71.7: O HB3 LEU 73 - HN LEU 73 8.333% * 53.2357% (0.28 10.0 5.68 123.80) = 53.236% kept HB3 LYS+ 74 - HN LEU 73 8.333% * 30.0307% (0.81 1.0 3.85 18.59) = 30.031% kept HB VAL 42 - HN LEU 73 8.333% * 10.6682% (0.35 1.0 3.14 1.44) = 10.668% kept HB2 LEU 80 - HN LEU 73 8.333% * 3.2172% (0.58 1.0 0.58 0.02) = 3.217% kept HB2 LYS+ 112 - HN LEU 73 8.333% * 1.2336% (0.18 1.0 0.70 2.51) = 1.234% kept HG3 LYS+ 65 - HN LEU 73 8.333% * 0.6908% (0.35 1.0 0.20 0.02) = 0.691% HG12 ILE 19 - HN LEU 73 8.333% * 0.2835% (0.16 1.0 0.19 5.71) = 0.283% QB LEU 98 - HN LEU 73 8.333% * 0.1909% (1.00 1.0 0.02 0.02) = 0.191% QB ALA 12 - HN LEU 73 8.333% * 0.1706% (0.89 1.0 0.02 0.02) = 0.171% HD3 LYS+ 121 - HN LEU 73 8.333% * 0.1478% (0.77 1.0 0.02 0.02) = 0.148% HG3 LYS+ 33 - HN LEU 73 8.333% * 0.0844% (0.44 1.0 0.02 0.02) = 0.084% HG3 LYS+ 102 - HN LEU 73 8.333% * 0.0467% (0.24 1.0 0.02 0.02) = 0.047% Peak 843 (0.78, 8.95, 120.59 ppm): 5 chemical-shift based assignments, quality = 0.907, support = 4.99, residual support = 82.3: QD2 LEU 73 - HN LEU 73 20.000% * 66.2504% (0.97 6.67 123.80) = 66.250% kept HG LEU 31 - HN LEU 73 20.000% * 18.6695% (1.00 1.83 0.74) = 18.670% kept QD1 ILE 56 - HN LEU 73 20.000% * 7.9257% (0.73 1.07 0.45) = 7.926% kept QG1 VAL 43 - HN LEU 73 20.000% * 5.9666% (0.24 2.39 2.21) = 5.967% kept QG1 VAL 41 - HN LEU 73 20.000% * 1.1877% (0.44 0.26 0.02) = 1.188% kept Peak 844 (0.57, 8.95, 120.59 ppm): 6 chemical-shift based assignments, quality = 0.581, support = 4.02, residual support = 67.5: QD1 LEU 73 - HN LEU 73 16.667% * 51.8500% (0.44 6.15 123.80) = 51.850% kept QD2 LEU 63 - HN LEU 73 16.667% * 25.0670% (1.00 1.31 7.26) = 25.067% kept QD1 LEU 63 - HN LEU 73 16.667% * 20.4183% (0.44 2.42 7.26) = 20.418% kept QG2 VAL 41 - HN LEU 73 16.667% * 2.4520% (0.49 0.26 0.02) = 2.452% kept QD2 LEU 98 - HN LEU 73 16.667% * 0.1063% (0.28 0.02 0.02) = 0.106% QD1 LEU 80 - HN LEU 73 16.667% * 0.1063% (0.28 0.02 0.02) = 0.106% Peak 845 (0.39, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.592, support = 3.25, residual support = 4.8: QB ALA 64 - HN LEU 73 33.333% * 87.9609% (0.63 3.57 5.27) = 87.961% kept QG1 VAL 42 - HN LEU 73 33.333% * 11.6944% (0.31 0.95 1.44) = 11.694% kept QB ALA 47 - HN LEU 73 33.333% * 0.3446% (0.44 0.02 0.02) = 0.345% Peak 846 (0.07, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.904, support = 0.422, residual support = 0.562: QD2 LEU 31 - HN LEU 73 33.333% * 75.6568% (1.00 0.48 0.74) = 75.657% kept QG2 VAL 83 - HN LEU 73 33.333% * 23.3595% (0.63 0.24 0.02) = 23.360% kept QD1 ILE 89 - HN LEU 73 33.333% * 0.9837% (0.31 0.02 0.02) = 0.984% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 847 (2.84, 9.36, 127.59 ppm): 2 chemical-shift based assignments, quality = 0.534, support = 4.18, residual support = 70.0: O HB2 PHE 72 - HN PHE 72 50.000% * 75.1605% (0.40 10.0 4.65 78.89) = 75.161% kept HA ALA 64 - HN PHE 72 50.000% * 24.8395% (0.95 1.0 2.76 43.05) = 24.839% kept Peak 848 (2.28, 9.36, 127.59 ppm): 7 chemical-shift based assignments, quality = 0.671, support = 4.86, residual support = 78.0: O HB3 PHE 72 - HN PHE 72 14.286% * 98.8364% (0.68 10.0 4.91 78.89) = 98.836% kept HB2 ASP- 44 - HN PHE 72 14.286% * 0.6768% (0.81 1.0 0.11 0.02) = 0.677% QG GLU- 15 - HN PHE 72 14.286% * 0.1344% (0.92 1.0 0.02 0.02) = 0.134% QB MET 11 - HN PHE 72 14.286% * 0.1244% (0.85 1.0 0.02 0.02) = 0.124% QG GLU- 14 - HN PHE 72 14.286% * 0.1123% (0.77 1.0 0.02 0.02) = 0.112% QG GLN 90 - HN PHE 72 14.286% * 0.0848% (0.58 1.0 0.02 0.02) = 0.085% HG12 ILE 119 - HN PHE 72 14.286% * 0.0309% (0.21 1.0 0.02 2.61) = 0.031% Peak 849 (1.24, 9.36, 127.59 ppm): 9 chemical-shift based assignments, quality = 0.97, support = 3.6, residual support = 15.5: HG LEU 71 - HN PHE 72 11.111% * 91.9042% (0.99 3.90 16.74) = 91.904% kept HG2 LYS+ 74 - HN PHE 72 11.111% * 6.3187% (1.00 0.27 1.31) = 6.319% kept HG3 LYS+ 99 - HN PHE 72 11.111% * 0.4770% (1.00 0.02 0.02) = 0.477% HG13 ILE 19 - HN PHE 72 11.111% * 0.4403% (0.92 0.02 0.87) = 0.440% QB ALA 91 - HN PHE 72 11.111% * 0.2548% (0.53 0.02 0.02) = 0.255% QG2 THR 39 - HN PHE 72 11.111% * 0.2548% (0.53 0.02 0.02) = 0.255% HG12 ILE 89 - HN PHE 72 11.111% * 0.1326% (0.28 0.02 0.02) = 0.133% HG3 LYS+ 38 - HN PHE 72 11.111% * 0.1163% (0.24 0.02 0.02) = 0.116% HG3 LYS+ 111 - HN PHE 72 11.111% * 0.1014% (0.21 0.02 0.02) = 0.101% Peak 850 (0.96, 9.36, 127.59 ppm): 7 chemical-shift based assignments, quality = 0.876, support = 4.18, residual support = 13.8: QD2 LEU 71 - HN PHE 72 14.286% * 79.7866% (0.95 5.07 16.74) = 79.787% kept QD1 ILE 103 - HN PHE 72 14.286% * 8.5243% (1.00 0.52 0.11) = 8.524% kept HG3 LYS+ 74 - HN PHE 72 14.286% * 4.2282% (0.40 0.64 1.31) = 4.228% kept QG2 ILE 103 - HN PHE 72 14.286% * 3.8953% (0.28 0.85 0.11) = 3.895% kept QD1 LEU 67 - HN PHE 72 14.286% * 3.0394% (0.18 1.00 10.72) = 3.039% kept QG2 ILE 119 - HN PHE 72 14.286% * 0.3144% (0.95 0.02 2.61) = 0.314% QD2 LEU 40 - HN PHE 72 14.286% * 0.2118% (0.16 0.08 0.02) = 0.212% Peak 852 (2.20, 8.15, 128.27 ppm): 5 chemical-shift based assignments, quality = 0.964, support = 4.88, residual support = 28.5: HB VAL 70 - HN LEU 71 20.000% * 80.5965% (0.97 5.90 35.28) = 80.597% kept HB2 GLU- 25 - HN LEU 71 20.000% * 11.4394% (0.99 0.82 0.15) = 11.439% kept QG GLN 17 - HN LEU 71 20.000% * 5.4659% (1.00 0.39 0.02) = 5.466% kept HB2 MET 96 - HN LEU 71 20.000% * 2.4536% (0.53 0.33 0.53) = 2.454% kept HB2 LYS+ 38 - HN LEU 71 20.000% * 0.0445% (0.16 0.02 0.02) = 0.044% Peak 853 (1.81, 8.15, 128.27 ppm): 8 chemical-shift based assignments, quality = 0.956, support = 5.94, residual support = 128.3: O HB2 LEU 71 - HN LEU 71 12.500% * 97.8336% (0.97 10.0 6.05 131.16) = 97.834% kept HB VAL 41 - HN LEU 71 12.500% * 1.6488% (0.31 1.0 1.04 1.17) = 1.649% kept HB3 GLN 17 - HN LEU 71 12.500% * 0.1595% (0.40 1.0 0.08 0.02) = 0.159% QB LYS+ 102 - HN LEU 71 12.500% * 0.1004% (1.00 1.0 0.02 0.02) = 0.100% QB LYS+ 65 - HN LEU 71 12.500% * 0.0994% (0.99 1.0 0.02 0.02) = 0.099% HG2 PRO 93 - HN LEU 71 12.500% * 0.0861% (0.85 1.0 0.02 0.02) = 0.086% QB LYS+ 66 - HN LEU 71 12.500% * 0.0538% (0.53 1.0 0.02 0.02) = 0.054% HG12 ILE 103 - HN LEU 71 12.500% * 0.0185% (0.18 1.0 0.02 0.02) = 0.019% Peak 855 (1.24, 8.15, 128.27 ppm): 9 chemical-shift based assignments, quality = 0.972, support = 4.69, residual support = 104.2: HG LEU 71 - HN LEU 71 11.111% * 79.0866% (0.99 5.71 131.16) = 79.087% kept HG13 ILE 19 - HN LEU 71 11.111% * 13.3649% (0.92 1.03 2.27) = 13.365% kept HG2 LYS+ 74 - HN LEU 71 11.111% * 6.7622% (1.00 0.48 1.99) = 6.762% kept HG3 LYS+ 99 - HN LEU 71 11.111% * 0.2806% (1.00 0.02 0.02) = 0.281% QB ALA 91 - HN LEU 71 11.111% * 0.1499% (0.53 0.02 0.02) = 0.150% QG2 THR 39 - HN LEU 71 11.111% * 0.1499% (0.53 0.02 0.02) = 0.150% HG12 ILE 89 - HN LEU 71 11.111% * 0.0780% (0.28 0.02 0.02) = 0.078% HG3 LYS+ 38 - HN LEU 71 11.111% * 0.0684% (0.24 0.02 0.02) = 0.068% HG3 LYS+ 111 - HN LEU 71 11.111% * 0.0596% (0.21 0.02 0.02) = 0.060% Peak 856 (0.86, 8.15, 128.27 ppm): 6 chemical-shift based assignments, quality = 0.866, support = 5.32, residual support = 73.6: QG1 VAL 70 - HN LEU 71 16.667% * 46.3012% (0.97 5.36 35.28) = 46.301% kept QD1 LEU 71 - HN LEU 71 16.667% * 43.6394% (0.77 6.36 131.16) = 43.639% kept QG1 VAL 18 - HN LEU 71 16.667% * 6.4774% (1.00 0.73 0.02) = 6.477% kept HB3 LEU 63 - HN LEU 71 16.667% * 2.5930% (0.58 0.50 0.02) = 2.593% kept QD1 LEU 123 - HN LEU 71 16.667% * 0.9259% (0.77 0.14 0.02) = 0.926% HB3 LEU 104 - HN LEU 71 16.667% * 0.0630% (0.35 0.02 0.02) = 0.063% Peak 857 (0.19, 8.15, 128.27 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 6.26, residual support = 35.3: QG2 VAL 70 - HN LEU 71 100.000% *100.0000% (0.63 6.26 35.28) = 100.000% kept Peak 858 (2.19, 7.98, 124.64 ppm): 5 chemical-shift based assignments, quality = 0.673, support = 3.98, residual support = 65.5: O HB VAL 70 - HN VAL 70 20.000% * 97.8225% (0.68 10.0 4.06 66.98) = 97.822% kept HB2 LYS+ 38 - HN VAL 70 20.000% * 1.9073% (0.44 1.0 0.60 0.02) = 1.907% kept HB2 GLU- 25 - HN VAL 70 20.000% * 0.1284% (0.89 1.0 0.02 0.02) = 0.128% QG GLN 17 - HN VAL 70 20.000% * 0.1112% (0.77 1.0 0.02 0.83) = 0.111% HB2 MET 96 - HN VAL 70 20.000% * 0.0306% (0.21 1.0 0.02 0.02) = 0.031% Peak 859 (1.44, 7.98, 124.64 ppm): 11 chemical-shift based assignments, quality = 0.79, support = 0.69, residual support = 6.61: HG LEU 73 - HN VAL 70 9.091% * 50.3536% (0.99 0.94 2.48) = 50.354% kept HG LEU 40 - HN VAL 70 9.091% * 19.7622% (0.49 0.75 27.04) = 19.762% kept HB3 LEU 67 - HN VAL 70 9.091% * 13.1736% (0.81 0.30 0.02) = 13.174% kept HB3 LEU 115 - HN VAL 70 9.091% * 7.7052% (0.49 0.29 0.02) = 7.705% kept QG LYS+ 66 - HN VAL 70 9.091% * 4.9675% (0.97 0.09 0.02) = 4.968% kept HG12 ILE 19 - HN VAL 70 9.091% * 1.1583% (0.28 0.08 1.17) = 1.158% kept HG2 LYS+ 102 - HN VAL 70 9.091% * 0.9994% (0.92 0.02 0.02) = 0.999% QB ALA 61 - HN VAL 70 9.091% * 0.6829% (0.63 0.02 0.02) = 0.683% HG LEU 80 - HN VAL 70 9.091% * 0.4294% (0.40 0.02 0.02) = 0.429% QB ALA 110 - HN VAL 70 9.091% * 0.3839% (0.35 0.02 0.02) = 0.384% HG LEU 67 - HN VAL 70 9.091% * 0.3839% (0.35 0.02 0.02) = 0.384% Peak 860 (0.86, 7.98, 124.64 ppm): 6 chemical-shift based assignments, quality = 0.923, support = 4.14, residual support = 49.6: QG1 VAL 70 - HN VAL 70 16.667% * 52.5679% (0.89 5.08 66.98) = 52.568% kept QD1 LEU 71 - HN VAL 70 16.667% * 40.7714% (1.00 3.51 35.28) = 40.771% kept QG1 VAL 18 - HN VAL 70 16.667% * 6.0413% (0.77 0.67 0.54) = 6.041% kept QD1 LEU 123 - HN VAL 70 16.667% * 0.2322% (1.00 0.02 0.02) = 0.232% HB3 LEU 63 - HN VAL 70 16.667% * 0.2082% (0.21 0.08 0.02) = 0.208% HB3 LEU 104 - HN VAL 70 16.667% * 0.1791% (0.77 0.02 0.02) = 0.179% Peak 861 (0.18, 7.98, 124.64 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 4.23, residual support = 67.0: QG2 VAL 70 - HN VAL 70 100.000% *100.0000% (0.97 4.23 66.98) = 100.000% kept Peak 862 (2.90, 6.66, 113.30 ppm): 3 chemical-shift based assignments, quality = 0.544, support = 2.89, residual support = 49.1: O HB2 ASN 69 - HD22 ASN 69 33.333% * 99.8324% (0.55 10.0 2.90 49.18) = 99.832% kept HB2 ASP- 76 - HD22 ASN 69 33.333% * 0.1027% (0.56 1.0 0.02 0.02) = 0.103% HB2 ASP- 78 - HD22 ASN 69 33.333% * 0.0648% (0.35 1.0 0.02 0.02) = 0.065% Peak 863 (0.86, 6.66, 113.30 ppm): 6 chemical-shift based assignments, quality = 0.535, support = 2.15, residual support = 10.1: QG1 VAL 70 - HD22 ASN 69 16.667% * 70.0810% (0.56 2.85 14.22) = 70.081% kept QG1 VAL 18 - HD22 ASN 69 16.667% * 15.4860% (0.53 0.66 0.56) = 15.486% kept QD1 LEU 71 - HD22 ASN 69 16.667% * 10.0398% (0.52 0.44 0.11) = 10.040% kept HB3 LEU 63 - HD22 ASN 69 16.667% * 3.6731% (0.22 0.37 0.02) = 3.673% kept QD1 LEU 123 - HD22 ASN 69 16.667% * 0.4561% (0.52 0.02 0.02) = 0.456% HB3 LEU 104 - HD22 ASN 69 16.667% * 0.2639% (0.30 0.02 0.02) = 0.264% Peak 864 (4.99, 8.82, 114.58 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 2.98, residual support = 2.98: HA LEU 67 - HN ASN 69 100.000% *100.0000% (0.89 2.98 2.98) = 100.000% kept Peak 865 (3.74, 8.82, 114.58 ppm): 4 chemical-shift based assignments, quality = 0.72, support = 5.55, residual support = 21.2: HD2 PRO 68 - HN ASN 69 25.000% * 99.1700% (0.73 5.60 21.36) = 99.170% kept HA ALA 61 - HN ASN 69 25.000% * 0.4504% (0.92 0.02 0.02) = 0.450% HD3 PRO 58 - HN ASN 69 25.000% * 0.2606% (0.53 0.02 0.02) = 0.261% HA VAL 75 - HN ASN 69 25.000% * 0.1190% (0.24 0.02 0.02) = 0.119% Peak 866 (3.33, 8.82, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.974, support = 5.25, residual support = 20.0: HD3 PRO 68 - HN ASN 69 16.667% * 93.5091% (0.99 5.60 21.36) = 93.509% kept HB3 CYS 53 - HN ASN 69 16.667% * 5.3008% (0.95 0.33 0.02) = 5.301% kept HD3 PRO 93 - HN ASN 69 16.667% * 0.3373% (1.00 0.02 0.02) = 0.337% QB PHE 55 - HN ASN 69 16.667% * 0.3215% (0.95 0.02 0.02) = 0.321% HD2 ARG+ 54 - HN ASN 69 16.667% * 0.3016% (0.89 0.02 0.02) = 0.302% HB2 PHE 59 - HN ASN 69 16.667% * 0.2297% (0.68 0.02 0.02) = 0.230% Peak 867 (2.86, 8.82, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.821, support = 0.213, residual support = 0.175: QE LYS+ 66 - HN ASN 69 33.333% * 89.0840% (0.81 0.24 0.19) = 89.084% kept HB3 ASN 35 - HN ASN 69 33.333% * 9.2196% (1.00 0.02 0.02) = 9.220% kept HA ALA 64 - HN ASN 69 33.333% * 1.6964% (0.18 0.02 0.02) = 1.696% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 868 (2.17, 8.82, 114.58 ppm): 5 chemical-shift based assignments, quality = 0.8, support = 0.429, residual support = 0.206: HB2 LYS+ 38 - HN ASN 69 20.000% * 62.4925% (0.99 0.48 0.32) = 62.492% kept HB3 GLU- 29 - HN ASN 69 20.000% * 18.4818% (0.28 0.51 0.02) = 18.482% kept HG3 GLU- 29 - HN ASN 69 20.000% * 17.3393% (0.73 0.18 0.02) = 17.339% kept HB2 GLN 90 - HN ASN 69 20.000% * 1.2725% (0.49 0.02 0.02) = 1.273% kept HB2 GLU- 25 - HN ASN 69 20.000% * 0.4139% (0.16 0.02 0.02) = 0.414% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 869 (2.03, 8.82, 114.58 ppm): 11 chemical-shift based assignments, quality = 0.981, support = 3.56, residual support = 21.1: O HB3 PRO 68 - HN ASN 69 9.091% * 98.5537% (0.99 10.0 3.61 21.36) = 98.554% kept HG3 GLN 30 - HN ASN 69 9.091% * 1.0300% (0.81 1.0 0.25 0.02) = 1.030% kept HB2 LYS+ 111 - HN ASN 69 9.091% * 0.0725% (0.73 1.0 0.02 0.02) = 0.072% HB2 GLN 17 - HN ASN 69 9.091% * 0.0630% (0.63 1.0 0.02 0.02) = 0.063% QB GLU- 15 - HN ASN 69 9.091% * 0.0630% (0.63 1.0 0.02 0.02) = 0.063% HB3 GLU- 100 - HN ASN 69 9.091% * 0.0533% (0.53 1.0 0.02 0.02) = 0.053% HB2 GLN 30 - HN ASN 69 9.091% * 0.0440% (0.44 1.0 0.02 0.02) = 0.044% HB ILE 119 - HN ASN 69 9.091% * 0.0440% (0.44 1.0 0.02 0.02) = 0.044% HB3 GLU- 25 - HN ASN 69 9.091% * 0.0396% (0.40 1.0 0.02 0.02) = 0.040% HB VAL 108 - HN ASN 69 9.091% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% HB2 ARG+ 54 - HN ASN 69 9.091% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 870 (1.88, 8.82, 114.58 ppm): 13 chemical-shift based assignments, quality = 0.468, support = 3.01, residual support = 12.4: HG3 PRO 68 - HN ASN 69 7.692% * 57.5026% (0.24 4.88 21.36) = 57.503% kept HB3 LYS+ 38 - HN ASN 69 7.692% * 28.5234% (0.92 0.64 0.32) = 28.523% kept HB3 GLN 30 - HN ASN 69 7.692% * 8.8844% (0.73 0.25 0.02) = 8.884% kept HB ILE 56 - HN ASN 69 7.692% * 0.9631% (1.00 0.02 0.02) = 0.963% QB LYS+ 106 - HN ASN 69 7.692% * 0.7016% (0.73 0.02 0.02) = 0.702% QB LYS+ 81 - HN ASN 69 7.692% * 0.6560% (0.68 0.02 0.02) = 0.656% HB3 GLN 90 - HN ASN 69 7.692% * 0.5626% (0.58 0.02 0.02) = 0.563% HB2 MET 92 - HN ASN 69 7.692% * 0.5160% (0.53 0.02 0.02) = 0.516% QB LYS+ 33 - HN ASN 69 7.692% * 0.4703% (0.49 0.02 0.02) = 0.470% HB3 ASP- 105 - HN ASN 69 7.692% * 0.3426% (0.35 0.02 0.02) = 0.343% HG2 ARG+ 54 - HN ASN 69 7.692% * 0.3043% (0.31 0.02 0.02) = 0.304% HB3 PRO 58 - HN ASN 69 7.692% * 0.3043% (0.31 0.02 0.02) = 0.304% HB ILE 103 - HN ASN 69 7.692% * 0.2686% (0.28 0.02 0.02) = 0.269% Peak 871 (0.87, 8.82, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 2.85, residual support = 10.9: QG1 VAL 70 - HN ASN 69 16.667% * 76.0526% (0.63 3.49 14.22) = 76.053% kept QD1 LEU 71 - HN ASN 69 16.667% * 14.7605% (0.35 1.21 0.11) = 14.761% kept QG1 VAL 18 - HN ASN 69 16.667% * 5.9295% (0.77 0.22 0.56) = 5.930% kept HB3 LEU 63 - HN ASN 69 16.667% * 2.7678% (0.95 0.08 0.02) = 2.768% kept QD1 LEU 123 - HN ASN 69 16.667% * 0.2448% (0.35 0.02 0.02) = 0.245% QG1 VAL 108 - HN ASN 69 16.667% * 0.2448% (0.35 0.02 0.02) = 0.245% Peak 872 (3.75, 7.34, 119.88 ppm): 8 chemical-shift based assignments, quality = 0.979, support = 3.57, residual support = 14.6: HD2 PRO 68 - HN LEU 67 12.500% * 98.1882% (1.00 3.63 14.87) = 98.188% kept HA VAL 24 - HE3 TRP 27 12.500% * 0.9990% (0.02 2.42 16.05) = 0.999% HA ALA 61 - HN LEU 67 12.500% * 0.5152% (0.95 0.02 0.02) = 0.515% HA VAL 24 - HN LEU 67 12.500% * 0.1152% (0.21 0.02 0.02) = 0.115% HD3 PRO 58 - HN LEU 67 12.500% * 0.0998% (0.18 0.02 0.02) = 0.100% HD2 PRO 68 - HE3 TRP 27 12.500% * 0.0387% (0.07 0.02 0.02) = 0.039% HA ALA 61 - HE3 TRP 27 12.500% * 0.0369% (0.07 0.02 0.02) = 0.037% HD3 PRO 58 - HE3 TRP 27 12.500% * 0.0071% (0.01 0.02 0.02) = 0.007% Peak 873 (3.34, 7.34, 119.88 ppm): 12 chemical-shift based assignments, quality = 0.673, support = 2.89, residual support = 11.1: HD3 PRO 68 - HN LEU 67 8.333% * 74.2992% (0.68 3.63 14.87) = 74.299% kept HD3 PRO 93 - HN LEU 67 8.333% * 19.4331% (0.73 0.89 0.02) = 19.433% kept QB PHE 55 - HN LEU 67 8.333% * 4.7796% (0.58 0.27 0.61) = 4.780% kept HD2 ARG+ 54 - HN LEU 67 8.333% * 0.5853% (0.97 0.02 0.18) = 0.585% HB3 CYS 53 - HN LEU 67 8.333% * 0.5561% (0.92 0.02 0.02) = 0.556% HB2 PHE 59 - HN LEU 67 8.333% * 0.1675% (0.28 0.02 0.02) = 0.167% HD2 ARG+ 54 - HE3 TRP 27 8.333% * 0.0419% (0.07 0.02 0.02) = 0.042% HB3 CYS 53 - HE3 TRP 27 8.333% * 0.0398% (0.07 0.02 0.02) = 0.040% HD3 PRO 93 - HE3 TRP 27 8.333% * 0.0313% (0.05 0.02 0.02) = 0.031% HD3 PRO 68 - HE3 TRP 27 8.333% * 0.0293% (0.05 0.02 0.02) = 0.029% QB PHE 55 - HE3 TRP 27 8.333% * 0.0251% (0.04 0.02 0.02) = 0.025% HB2 PHE 59 - HE3 TRP 27 8.333% * 0.0120% (0.02 0.02 0.02) = 0.012% Peak 874 (2.85, 7.34, 119.88 ppm): 6 chemical-shift based assignments, quality = 0.428, support = 3.44, residual support = 11.0: QE LYS+ 66 - HN LEU 67 16.667% * 74.0494% (0.40 4.28 14.36) = 74.049% kept HA ALA 64 - HN LEU 67 16.667% * 25.1713% (0.53 1.08 1.33) = 25.171% kept HB3 ASN 35 - HN LEU 67 16.667% * 0.6731% (0.77 0.02 0.02) = 0.673% HB3 ASN 35 - HE3 TRP 27 16.667% * 0.0482% (0.06 0.02 0.02) = 0.048% HA ALA 64 - HE3 TRP 27 16.667% * 0.0333% (0.04 0.02 0.02) = 0.033% QE LYS+ 66 - HE3 TRP 27 16.667% * 0.0248% (0.03 0.02 0.02) = 0.025% Peak 875 (1.98, 7.34, 119.88 ppm): 14 chemical-shift based assignments, quality = 0.491, support = 4.38, residual support = 40.0: O HB2 LEU 67 - HN LEU 67 7.143% * 85.0387% (0.49 10.0 4.63 44.55) = 85.039% kept HG2 PRO 68 - HN LEU 67 7.143% * 14.4092% (0.53 1.0 3.09 14.87) = 14.409% kept HG3 PRO 58 - HN LEU 67 7.143% * 0.1660% (0.95 1.0 0.02 0.02) = 0.166% HB2 LEU 115 - HN LEU 67 7.143% * 0.1613% (0.92 1.0 0.02 0.02) = 0.161% HB ILE 19 - HN LEU 67 7.143% * 0.0770% (0.44 1.0 0.02 0.02) = 0.077% QB GLU- 114 - HN LEU 67 7.143% * 0.0619% (0.35 1.0 0.02 0.02) = 0.062% HB VAL 18 - HN LEU 67 7.143% * 0.0371% (0.21 1.0 0.02 0.02) = 0.037% HG3 PRO 58 - HE3 TRP 27 7.143% * 0.0119% (0.07 1.0 0.02 0.02) = 0.012% HB2 LEU 115 - HE3 TRP 27 7.143% * 0.0115% (0.07 1.0 0.02 7.42) = 0.012% HG2 PRO 68 - HE3 TRP 27 7.143% * 0.0067% (0.04 1.0 0.02 0.02) = 0.007% HB2 LEU 67 - HE3 TRP 27 7.143% * 0.0061% (0.03 1.0 0.02 0.02) = 0.006% HB ILE 19 - HE3 TRP 27 7.143% * 0.0055% (0.03 1.0 0.02 0.02) = 0.006% QB GLU- 114 - HE3 TRP 27 7.143% * 0.0044% (0.03 1.0 0.02 0.02) = 0.004% HB VAL 18 - HE3 TRP 27 7.143% * 0.0027% (0.02 1.0 0.02 0.34) = 0.003% Peak 876 (1.82, 7.34, 119.88 ppm): 18 chemical-shift based assignments, quality = 0.849, support = 3.55, residual support = 10.6: QB LYS+ 66 - HN LEU 67 5.556% * 73.5126% (0.92 4.45 14.36) = 73.513% kept QB LYS+ 65 - HN LEU 67 5.556% * 17.3428% (0.68 1.43 0.15) = 17.343% kept HB2 LEU 71 - HN LEU 67 5.556% * 5.7144% (0.63 0.51 0.02) = 5.714% kept HB VAL 41 - HN LEU 67 5.556% * 2.2717% (0.73 0.17 0.02) = 2.272% kept HG2 PRO 93 - HN LEU 67 5.556% * 0.3533% (0.99 0.02 0.02) = 0.353% QB LYS+ 102 - HN LEU 67 5.556% * 0.2916% (0.81 0.02 0.02) = 0.292% HG12 ILE 103 - HN LEU 67 5.556% * 0.1911% (0.53 0.02 0.02) = 0.191% HG LEU 123 - HN LEU 67 5.556% * 0.0873% (0.24 0.02 0.02) = 0.087% HB3 PRO 52 - HN LEU 67 5.556% * 0.0873% (0.24 0.02 0.02) = 0.087% HG2 PRO 93 - HE3 TRP 27 5.556% * 0.0253% (0.07 0.02 0.02) = 0.025% QB LYS+ 66 - HE3 TRP 27 5.556% * 0.0236% (0.07 0.02 0.02) = 0.024% QB LYS+ 102 - HE3 TRP 27 5.556% * 0.0209% (0.06 0.02 0.33) = 0.021% HB VAL 41 - HE3 TRP 27 5.556% * 0.0186% (0.05 0.02 0.88) = 0.019% QB LYS+ 65 - HE3 TRP 27 5.556% * 0.0174% (0.05 0.02 0.02) = 0.017% HB2 LEU 71 - HE3 TRP 27 5.556% * 0.0162% (0.05 0.02 0.02) = 0.016% HG12 ILE 103 - HE3 TRP 27 5.556% * 0.0137% (0.04 0.02 0.02) = 0.014% HB3 PRO 52 - HE3 TRP 27 5.556% * 0.0062% (0.02 0.02 0.02) = 0.006% HG LEU 123 - HE3 TRP 27 5.556% * 0.0062% (0.02 0.02 0.02) = 0.006% Peak 877 (1.46, 7.34, 119.88 ppm): 20 chemical-shift based assignments, quality = 0.637, support = 4.79, residual support = 39.6: HG LEU 67 - HN LEU 67 5.000% * 56.1378% (1.00 1.0 5.42 44.55) = 56.138% kept O HB3 LEU 67 - HN LEU 67 5.000% * 28.1341% (0.14 10.0 3.76 44.55) = 28.134% kept QG LYS+ 66 - HN LEU 67 5.000% * 14.0989% (0.28 1.0 4.88 14.36) = 14.099% kept HG LEU 115 - HN LEU 67 5.000% * 0.7109% (0.58 1.0 0.12 0.02) = 0.711% HB3 LEU 115 - HN LEU 67 5.000% * 0.2052% (0.99 1.0 0.02 0.02) = 0.205% HG LEU 40 - HN LEU 67 5.000% * 0.2052% (0.99 1.0 0.02 0.02) = 0.205% HG2 LYS+ 102 - HN LEU 67 5.000% * 0.1311% (0.63 1.0 0.02 0.02) = 0.131% QB ALA 120 - HN LEU 67 5.000% * 0.1210% (0.58 1.0 0.02 0.02) = 0.121% HG LEU 73 - HN LEU 67 5.000% * 0.1012% (0.49 1.0 0.02 0.02) = 0.101% HB3 LEU 40 - HN LEU 67 5.000% * 0.0655% (0.31 1.0 0.02 0.02) = 0.065% HG LEU 67 - HE3 TRP 27 5.000% * 0.0148% (0.07 1.0 0.02 0.02) = 0.015% HB3 LEU 115 - HE3 TRP 27 5.000% * 0.0147% (0.07 1.0 0.02 7.42) = 0.015% HG LEU 40 - HE3 TRP 27 5.000% * 0.0147% (0.07 1.0 0.02 0.02) = 0.015% HG2 LYS+ 102 - HE3 TRP 27 5.000% * 0.0094% (0.05 1.0 0.02 0.33) = 0.009% HG LEU 115 - HE3 TRP 27 5.000% * 0.0087% (0.04 1.0 0.02 7.42) = 0.009% QB ALA 120 - HE3 TRP 27 5.000% * 0.0087% (0.04 1.0 0.02 0.02) = 0.009% HG LEU 73 - HE3 TRP 27 5.000% * 0.0072% (0.03 1.0 0.02 2.08) = 0.007% HB3 LEU 40 - HE3 TRP 27 5.000% * 0.0047% (0.02 1.0 0.02 0.02) = 0.005% QG LYS+ 66 - HE3 TRP 27 5.000% * 0.0041% (0.02 1.0 0.02 0.02) = 0.004% HB3 LEU 67 - HE3 TRP 27 5.000% * 0.0020% (0.01 1.0 0.02 0.02) = 0.002% Peak 878 (0.96, 7.34, 119.88 ppm): 14 chemical-shift based assignments, quality = 0.231, support = 3.35, residual support = 38.8: QD1 LEU 67 - HN LEU 67 7.143% * 86.9858% (0.18 3.84 44.55) = 86.986% kept QD1 ILE 103 - HE3 TRP 27 7.143% * 3.3139% (0.07 0.38 0.02) = 3.314% kept QD1 ILE 103 - HN LEU 67 7.143% * 2.4549% (1.00 0.02 0.02) = 2.455% kept QD2 LEU 71 - HN LEU 67 7.143% * 2.3399% (0.95 0.02 0.02) = 2.340% kept QG2 ILE 119 - HN LEU 67 7.143% * 2.3399% (0.95 0.02 0.02) = 2.340% kept HG3 LYS+ 74 - HN LEU 67 7.143% * 0.9768% (0.40 0.02 0.02) = 0.977% QG2 ILE 103 - HN LEU 67 7.143% * 0.6848% (0.28 0.02 0.02) = 0.685% QD2 LEU 40 - HN LEU 67 7.143% * 0.3899% (0.16 0.02 0.02) = 0.390% QG2 ILE 119 - HE3 TRP 27 7.143% * 0.1675% (0.07 0.02 1.23) = 0.167% QD2 LEU 71 - HE3 TRP 27 7.143% * 0.1675% (0.07 0.02 0.02) = 0.167% HG3 LYS+ 74 - HE3 TRP 27 7.143% * 0.0699% (0.03 0.02 0.11) = 0.070% QG2 ILE 103 - HE3 TRP 27 7.143% * 0.0490% (0.02 0.02 0.02) = 0.049% QD1 LEU 67 - HE3 TRP 27 7.143% * 0.0324% (0.01 0.02 0.02) = 0.032% QD2 LEU 40 - HE3 TRP 27 7.143% * 0.0279% (0.01 0.02 0.02) = 0.028% Peak 879 (3.95, 7.27, 117.25 ppm): 9 chemical-shift based assignments, quality = 0.481, support = 5.23, residual support = 28.7: O HA LYS+ 65 - HN LYS+ 66 11.111% * 98.7638% (0.49 10.0 5.30 29.03) = 98.764% kept QB SER 48 - HN LYS+ 66 11.111% * 0.2003% (0.99 1.0 0.02 0.02) = 0.200% HA ALA 120 - HN LYS+ 66 11.111% * 0.1928% (0.95 1.0 0.02 0.02) = 0.193% HB THR 94 - HN LYS+ 66 11.111% * 0.1873% (0.92 1.0 0.02 0.02) = 0.187% HA LYS+ 121 - HN LYS+ 66 11.111% * 0.1735% (0.85 1.0 0.02 0.02) = 0.173% HA2 GLY 51 - HN LYS+ 66 11.111% * 0.1566% (0.77 1.0 0.02 0.02) = 0.157% HA2 GLY 16 - HN LYS+ 66 11.111% * 0.1181% (0.58 1.0 0.02 0.02) = 0.118% QB SER 85 - HN LYS+ 66 11.111% * 0.1181% (0.58 1.0 0.02 0.02) = 0.118% QB SER 117 - HN LYS+ 66 11.111% * 0.0894% (0.44 1.0 0.02 0.02) = 0.089% Peak 880 (3.50, 7.27, 117.25 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 2.11, residual support = 3.6: HA LEU 63 - HN LYS+ 66 33.333% * 99.1542% (0.99 2.13 3.63) = 99.154% kept HB2 HIS 22 - HN LYS+ 66 33.333% * 0.5489% (0.58 0.02 0.02) = 0.549% HA2 GLY 101 - HN LYS+ 66 33.333% * 0.2969% (0.31 0.02 0.02) = 0.297% Peak 881 (2.85, 7.27, 117.25 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 3.76, residual support = 8.05: HA ALA 64 - HN LYS+ 66 50.000% * 99.7967% (0.92 3.77 8.07) = 99.797% kept HB3 ASN 35 - HN LYS+ 66 50.000% * 0.2033% (0.35 0.02 0.02) = 0.203% Peak 882 (1.81, 7.27, 117.25 ppm): 8 chemical-shift based assignments, quality = 0.676, support = 4.81, residual support = 67.3: O QB LYS+ 66 - HN LYS+ 66 12.500% * 64.9883% (0.53 10.0 4.55 88.66) = 64.988% kept QB LYS+ 65 - HN LYS+ 66 12.500% * 33.3519% (0.99 1.0 5.55 29.03) = 33.352% kept HB VAL 41 - HN LYS+ 66 12.500% * 0.9417% (0.31 1.0 0.49 0.54) = 0.942% HG2 PRO 93 - HN LYS+ 66 12.500% * 0.4079% (0.85 1.0 0.08 0.02) = 0.408% QB LYS+ 102 - HN LYS+ 66 12.500% * 0.1213% (1.00 1.0 0.02 0.02) = 0.121% HB2 LEU 71 - HN LYS+ 66 12.500% * 0.1182% (0.97 1.0 0.02 0.02) = 0.118% HB3 GLN 17 - HN LYS+ 66 12.500% * 0.0483% (0.40 1.0 0.02 0.02) = 0.048% HG12 ILE 103 - HN LYS+ 66 12.500% * 0.0224% (0.18 1.0 0.02 0.02) = 0.022% Peak 883 (1.47, 7.27, 117.25 ppm): 8 chemical-shift based assignments, quality = 0.807, support = 1.46, residual support = 4.91: HG LEU 67 - HN LYS+ 66 12.500% * 32.6961% (0.81 2.17 14.36) = 32.696% kept HG LEU 115 - HN LYS+ 66 12.500% * 23.3788% (0.95 1.33 0.44) = 23.379% kept HB3 LEU 115 - HN LYS+ 66 12.500% * 17.8733% (0.68 1.42 0.44) = 17.873% kept HB3 LEU 40 - HN LYS+ 66 12.500% * 12.6868% (0.73 0.94 0.17) = 12.687% kept HG LEU 40 - HN LYS+ 66 12.500% * 7.4442% (0.68 0.59 0.17) = 7.444% kept QB ALA 120 - HN LYS+ 66 12.500% * 5.7719% (0.95 0.33 0.02) = 5.772% kept HG2 LYS+ 102 - HN LYS+ 66 12.500% * 0.0903% (0.24 0.02 0.02) = 0.090% HG LEU 73 - HN LYS+ 66 12.500% * 0.0586% (0.16 0.02 0.02) = 0.059% Peak 884 (0.40, 7.27, 117.25 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.37, residual support = 8.07: QB ALA 64 - HN LYS+ 66 100.000% *100.0000% (0.92 3.37 8.07) = 100.000% kept Peak 885 (3.96, 6.90, 114.80 ppm): 10 chemical-shift based assignments, quality = 0.613, support = 4.48, residual support = 107.3: O HA LYS+ 65 - HN LYS+ 65 10.000% * 97.8370% (0.62 10.0 4.58 109.67) = 97.837% kept HA ALA 120 - HN LYS+ 65 10.000% * 1.6957% (0.64 1.0 0.33 0.02) = 1.696% kept HA2 GLY 16 - HN LYS+ 65 10.000% * 0.1043% (0.66 1.0 0.02 0.02) = 0.104% QB SER 85 - HN LYS+ 65 10.000% * 0.1043% (0.66 1.0 0.02 0.02) = 0.104% QB SER 48 - HN LYS+ 65 10.000% * 0.0745% (0.47 1.0 0.02 0.02) = 0.075% HB THR 94 - HN LYS+ 65 10.000% * 0.0586% (0.37 1.0 0.02 0.02) = 0.059% HA LYS+ 121 - HN LYS+ 65 10.000% * 0.0484% (0.30 1.0 0.02 0.02) = 0.048% HA2 GLY 51 - HN LYS+ 65 10.000% * 0.0389% (0.24 1.0 0.02 0.02) = 0.039% HD2 PRO 52 - HN LYS+ 65 10.000% * 0.0233% (0.15 1.0 0.02 0.02) = 0.023% QB SER 117 - HN LYS+ 65 10.000% * 0.0149% (0.09 1.0 0.02 0.02) = 0.015% Peak 886 (2.85, 6.90, 114.80 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 4.29, residual support = 24.2: O HA ALA 64 - HN LYS+ 65 50.000% * 99.9616% (0.64 10.0 4.30 24.22) = 99.962% kept HB3 ASN 35 - HN LYS+ 65 50.000% * 0.0384% (0.24 1.0 0.02 0.02) = 0.038% Peak 887 (1.82, 6.90, 114.80 ppm): 9 chemical-shift based assignments, quality = 0.519, support = 4.46, residual support = 80.9: O QB LYS+ 65 - HN LYS+ 65 11.111% * 69.1000% (0.47 10.0 5.21 109.67) = 69.100% kept QB LYS+ 66 - HN LYS+ 65 11.111% * 17.1896% (0.64 1.0 3.66 29.03) = 17.190% kept HG2 PRO 93 - HN LYS+ 65 11.111% * 9.9347% (0.68 1.0 1.98 1.10) = 9.935% kept HB VAL 41 - HN LYS+ 65 11.111% * 3.5245% (0.50 1.0 0.95 0.02) = 3.525% kept QB LYS+ 102 - HN LYS+ 65 11.111% * 0.0829% (0.56 1.0 0.02 0.02) = 0.083% HB2 LEU 71 - HN LYS+ 65 11.111% * 0.0642% (0.44 1.0 0.02 0.02) = 0.064% HG12 ILE 103 - HN LYS+ 65 11.111% * 0.0544% (0.37 1.0 0.02 0.02) = 0.054% HG LEU 123 - HN LYS+ 65 11.111% * 0.0248% (0.17 1.0 0.02 0.62) = 0.025% HB3 PRO 52 - HN LYS+ 65 11.111% * 0.0248% (0.17 1.0 0.02 0.02) = 0.025% Peak 888 (1.48, 6.90, 114.80 ppm): 8 chemical-shift based assignments, quality = 0.515, support = 1.23, residual support = 1.32: HG LEU 115 - HN LYS+ 65 12.500% * 54.7731% (0.64 1.63 1.91) = 54.773% kept HB3 LEU 40 - HN LYS+ 65 12.500% * 15.0769% (0.69 0.42 0.02) = 15.077% kept HB3 LEU 115 - HN LYS+ 65 12.500% * 12.6253% (0.19 1.25 1.91) = 12.625% kept HG LEU 67 - HN LYS+ 65 12.500% * 10.8977% (0.27 0.76 0.15) = 10.898% kept QG2 THR 26 - HN LYS+ 65 12.500% * 3.2230% (0.09 0.66 0.35) = 3.223% kept HG LEU 40 - HN LYS+ 65 12.500% * 2.4761% (0.19 0.25 0.02) = 2.476% kept QB ALA 120 - HN LYS+ 65 12.500% * 0.6704% (0.64 0.02 0.02) = 0.670% HB2 LYS+ 74 - HN LYS+ 65 12.500% * 0.2575% (0.24 0.02 0.02) = 0.258% Peak 890 (1.35, 6.90, 114.80 ppm): 15 chemical-shift based assignments, quality = 0.496, support = 1.83, residual support = 17.7: HB3 PRO 93 - HN LYS+ 65 6.667% * 40.0299% (0.68 1.47 1.10) = 40.030% kept HB2 LEU 63 - HN LYS+ 65 6.667% * 31.5941% (0.44 1.81 1.42) = 31.594% kept HG3 LYS+ 65 - HN LYS+ 65 6.667% * 15.3480% (0.09 4.10 109.67) = 15.348% kept QB ALA 84 - HN LYS+ 65 6.667% * 10.3014% (0.69 0.37 0.02) = 10.301% kept HG LEU 98 - HN LYS+ 65 6.667% * 0.5456% (0.68 0.02 0.02) = 0.546% QB ALA 124 - HN LYS+ 65 6.667% * 0.5101% (0.64 0.02 0.02) = 0.510% HB3 ASP- 44 - HN LYS+ 65 6.667% * 0.4264% (0.53 0.02 0.02) = 0.426% HB3 LEU 80 - HN LYS+ 65 6.667% * 0.2690% (0.34 0.02 0.02) = 0.269% HG3 LYS+ 106 - HN LYS+ 65 6.667% * 0.2192% (0.27 0.02 0.02) = 0.219% HB2 LEU 31 - HN LYS+ 65 6.667% * 0.1741% (0.22 0.02 0.02) = 0.174% HB2 LYS+ 112 - HN LYS+ 65 6.667% * 0.1536% (0.19 0.02 0.02) = 0.154% HG2 LYS+ 111 - HN LYS+ 65 6.667% * 0.1347% (0.17 0.02 0.02) = 0.135% HG3 LYS+ 102 - HN LYS+ 65 6.667% * 0.1174% (0.15 0.02 0.02) = 0.117% HB3 LEU 73 - HN LYS+ 65 6.667% * 0.1017% (0.13 0.02 0.02) = 0.102% HB VAL 42 - HN LYS+ 65 6.667% * 0.0748% (0.09 0.02 0.02) = 0.075% Peak 891 (0.40, 6.90, 114.80 ppm): 1 chemical-shift based assignment, quality = 0.638, support = 4.26, residual support = 24.2: QB ALA 64 - HN LYS+ 65 100.000% *100.0000% (0.64 4.26 24.22) = 100.000% kept Peak 892 (3.74, 6.46, 118.53 ppm): 4 chemical-shift based assignments, quality = 0.841, support = 0.66, residual support = 3.46: HA ALA 61 - HN ALA 64 25.000% * 63.6075% (0.92 0.75 5.22) = 63.607% kept HD2 PRO 68 - HN ALA 64 25.000% * 34.9631% (0.73 0.52 0.40) = 34.963% kept HD3 PRO 58 - HN ALA 64 25.000% * 0.9814% (0.53 0.02 0.02) = 0.981% HA VAL 75 - HN ALA 64 25.000% * 0.4481% (0.24 0.02 0.02) = 0.448% Peak 893 (2.85, 6.46, 118.53 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 19.8: O HA ALA 64 - HN ALA 64 50.000% * 99.9616% (0.92 10.0 4.04 19.79) = 99.962% kept HB3 ASN 35 - HN ALA 64 50.000% * 0.0384% (0.35 1.0 0.02 0.02) = 0.038% Peak 894 (1.80, 6.46, 118.53 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 3.71, residual support = 18.2: QB LYS+ 65 - HN ALA 64 16.667% * 72.6189% (0.89 4.69 24.22) = 72.619% kept HG2 PRO 93 - HN ALA 64 16.667% * 11.1083% (0.49 1.31 0.29) = 11.108% kept QB LYS+ 66 - HN ALA 64 16.667% * 7.0944% (0.21 1.92 8.07) = 7.094% kept HB2 LEU 71 - HN ALA 64 16.667% * 5.2243% (0.92 0.33 0.02) = 5.224% kept QB LYS+ 102 - HN ALA 64 16.667% * 3.6858% (0.77 0.27 0.02) = 3.686% kept HB3 GLN 17 - HN ALA 64 16.667% * 0.2684% (0.77 0.02 1.62) = 0.268% Peak 895 (1.35, 6.46, 118.53 ppm): 15 chemical-shift based assignments, quality = 0.63, support = 5.42, residual support = 33.1: HB2 LEU 63 - HN ALA 64 6.667% * 69.6065% (0.63 7.15 45.19) = 69.607% kept HB3 PRO 93 - HN ALA 64 6.667% * 17.1179% (0.99 1.12 0.29) = 17.118% kept HG3 LYS+ 65 - HN ALA 64 6.667% * 6.7587% (0.14 3.24 24.22) = 6.759% kept HG2 LYS+ 111 - HN ALA 64 6.667% * 3.0322% (0.24 0.81 0.02) = 3.032% kept HB2 LYS+ 112 - HN ALA 64 6.667% * 1.8149% (0.28 0.42 0.02) = 1.815% kept QB ALA 84 - HN ALA 64 6.667% * 0.3077% (1.00 0.02 0.02) = 0.308% HG LEU 98 - HN ALA 64 6.667% * 0.3048% (0.99 0.02 0.02) = 0.305% QB ALA 124 - HN ALA 64 6.667% * 0.2850% (0.92 0.02 0.02) = 0.285% HB3 ASP- 44 - HN ALA 64 6.667% * 0.2382% (0.77 0.02 0.02) = 0.238% HB3 LEU 80 - HN ALA 64 6.667% * 0.1503% (0.49 0.02 0.02) = 0.150% HG3 LYS+ 106 - HN ALA 64 6.667% * 0.1224% (0.40 0.02 0.02) = 0.122% HB2 LEU 31 - HN ALA 64 6.667% * 0.0972% (0.31 0.02 0.02) = 0.097% HG3 LYS+ 102 - HN ALA 64 6.667% * 0.0656% (0.21 0.02 0.02) = 0.066% HB3 LEU 73 - HN ALA 64 6.667% * 0.0568% (0.18 0.02 5.27) = 0.057% HB VAL 42 - HN ALA 64 6.667% * 0.0418% (0.14 0.02 0.02) = 0.042% Peak 896 (1.05, 6.46, 118.53 ppm): 5 chemical-shift based assignments, quality = 0.449, support = 5.84, residual support = 39.8: HG LEU 63 - HN ALA 64 20.000% * 88.0437% (0.40 6.59 45.19) = 88.044% kept HG3 LYS+ 112 - HN ALA 64 20.000% * 11.2515% (0.89 0.37 0.02) = 11.251% kept QG2 VAL 108 - HN ALA 64 20.000% * 0.3281% (0.49 0.02 0.02) = 0.328% HB2 LEU 104 - HN ALA 64 20.000% * 0.2123% (0.31 0.02 0.02) = 0.212% QG2 VAL 24 - HN ALA 64 20.000% * 0.1644% (0.24 0.02 0.02) = 0.164% Peak 897 (0.88, 6.46, 118.53 ppm): 4 chemical-shift based assignments, quality = 0.946, support = 6.53, residual support = 45.0: HB3 LEU 63 - HN ALA 64 25.000% * 99.5528% (0.95 6.56 45.19) = 99.553% kept QG1 VAL 108 - HN ALA 64 25.000% * 0.2318% (0.73 0.02 0.02) = 0.232% QG1 VAL 18 - HN ALA 64 25.000% * 0.1266% (0.40 0.02 8.45) = 0.127% QG1 VAL 70 - HN ALA 64 25.000% * 0.0888% (0.28 0.02 0.02) = 0.089% Peak 898 (0.57, 6.46, 118.53 ppm): 6 chemical-shift based assignments, quality = 0.792, support = 5.83, residual support = 43.2: QD2 LEU 63 - HN ALA 64 16.667% * 63.0214% (1.00 5.78 45.19) = 63.021% kept QD1 LEU 63 - HN ALA 64 16.667% * 32.0703% (0.44 6.67 45.19) = 32.070% kept QD1 LEU 73 - HN ALA 64 16.667% * 4.6808% (0.44 0.97 5.27) = 4.681% kept QG2 VAL 41 - HN ALA 64 16.667% * 0.1061% (0.49 0.02 0.02) = 0.106% QD2 LEU 98 - HN ALA 64 16.667% * 0.0606% (0.28 0.02 0.02) = 0.061% QD1 LEU 80 - HN ALA 64 16.667% * 0.0606% (0.28 0.02 0.02) = 0.061% Peak 899 (0.40, 6.46, 118.53 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.04, residual support = 19.8: O QB ALA 64 - HN ALA 64 100.000% *100.0000% (0.92 10.0 4.04 19.79) = 100.000% kept Peak 900 (4.22, 7.59, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 5.0, residual support = 32.4: O HA ASP- 62 - HN LEU 63 25.000% * 99.8652% (0.95 10.0 5.00 32.45) = 99.865% kept HB THR 26 - HN LEU 63 25.000% * 0.0763% (0.73 1.0 0.02 0.02) = 0.076% HA SER 82 - HN LEU 63 25.000% * 0.0292% (0.28 1.0 0.02 0.02) = 0.029% HA SER 117 - HN LEU 63 25.000% * 0.0292% (0.28 1.0 0.02 0.30) = 0.029% Peak 901 (3.93, 7.59, 120.97 ppm): 7 chemical-shift based assignments, quality = 0.695, support = 0.794, residual support = 1.4: HA PHE 60 - HN LEU 63 14.286% * 31.8120% (0.58 1.41 3.87) = 31.812% kept QB SER 117 - HN LEU 63 14.286% * 23.4629% (0.99 0.61 0.30) = 23.463% kept HA2 GLY 51 - HN LEU 63 14.286% * 15.5460% (0.77 0.52 0.47) = 15.546% kept HB THR 94 - HN LEU 63 14.286% * 11.7065% (0.58 0.52 0.14) = 11.706% kept HA LYS+ 121 - HN LEU 63 14.286% * 8.4257% (0.68 0.32 0.02) = 8.426% kept QB SER 48 - HN LEU 63 14.286% * 5.7687% (0.44 0.34 0.02) = 5.769% kept HA ALA 120 - HN LEU 63 14.286% * 3.2783% (0.21 0.40 0.02) = 3.278% kept Peak 902 (3.51, 7.59, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.678, support = 7.21, residual support = 196.9: O HA LEU 63 - HN LEU 63 33.333% * 99.8619% (0.68 10.0 7.22 197.16) = 99.862% kept HA2 GLY 101 - HN LEU 63 33.333% * 0.1068% (0.73 1.0 0.02 0.02) = 0.107% HB2 HIS 22 - HN LEU 63 33.333% * 0.0313% (0.21 1.0 0.02 0.39) = 0.031% Peak 903 (2.65, 7.59, 120.97 ppm): 2 chemical-shift based assignments, quality = 0.97, support = 5.0, residual support = 32.4: HB2 ASP- 62 - HN LEU 63 50.000% * 99.8706% (0.97 5.00 32.45) = 99.871% kept HB2 PRO 52 - HN LEU 63 50.000% * 0.1294% (0.31 0.02 0.46) = 0.129% Peak 904 (2.45, 7.59, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 4.96, residual support = 32.1: HB3 ASP- 62 - HN LEU 63 20.000% * 99.0390% (0.92 5.00 32.45) = 99.039% kept HG3 MET 96 - HN LEU 63 20.000% * 0.3822% (0.89 0.02 0.11) = 0.382% HG2 GLU- 36 - HN LEU 63 20.000% * 0.2705% (0.63 0.02 0.02) = 0.271% HB3 ASP- 86 - HN LEU 63 20.000% * 0.1890% (0.44 0.02 0.02) = 0.189% HG2 GLU- 29 - HN LEU 63 20.000% * 0.1192% (0.28 0.02 0.02) = 0.119% Peak 905 (1.35, 7.59, 120.97 ppm): 15 chemical-shift based assignments, quality = 0.678, support = 6.72, residual support = 164.1: O HB2 LEU 63 - HN LEU 63 6.667% * 83.2065% (0.63 10.0 7.86 197.16) = 83.207% kept QB ALA 84 - HN LEU 63 6.667% * 8.1980% (1.00 1.0 1.25 0.11) = 8.198% kept HB3 PRO 93 - HN LEU 63 6.667% * 6.8923% (0.99 1.0 1.06 0.32) = 6.892% kept HB2 LYS+ 112 - HN LEU 63 6.667% * 1.0712% (0.28 1.0 0.58 0.23) = 1.071% kept HG LEU 98 - HN LEU 63 6.667% * 0.1302% (0.99 1.0 0.02 0.02) = 0.130% QB ALA 124 - HN LEU 63 6.667% * 0.1218% (0.92 1.0 0.02 0.02) = 0.122% HB3 ASP- 44 - HN LEU 63 6.667% * 0.1018% (0.77 1.0 0.02 0.02) = 0.102% HB3 LEU 80 - HN LEU 63 6.667% * 0.0642% (0.49 1.0 0.02 0.48) = 0.064% HG3 LYS+ 106 - HN LEU 63 6.667% * 0.0523% (0.40 1.0 0.02 0.02) = 0.052% HB2 LEU 31 - HN LEU 63 6.667% * 0.0416% (0.31 1.0 0.02 0.02) = 0.042% HG2 LYS+ 111 - HN LEU 63 6.667% * 0.0322% (0.24 1.0 0.02 0.12) = 0.032% HG3 LYS+ 102 - HN LEU 63 6.667% * 0.0280% (0.21 1.0 0.02 0.02) = 0.028% HB3 LEU 73 - HN LEU 63 6.667% * 0.0243% (0.18 1.0 0.02 7.26) = 0.024% HB VAL 42 - HN LEU 63 6.667% * 0.0179% (0.14 1.0 0.02 0.02) = 0.018% HG3 LYS+ 65 - HN LEU 63 6.667% * 0.0179% (0.14 1.0 0.02 1.42) = 0.018% Peak 906 (1.07, 7.59, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 6.51, residual support = 170.2: HG LEU 63 - HN LEU 63 33.333% * 86.3293% (1.00 7.29 197.16) = 86.329% kept HG3 LYS+ 112 - HN LEU 63 33.333% * 12.7487% (0.63 1.70 0.23) = 12.749% kept QG2 VAL 24 - HN LEU 63 33.333% * 0.9220% (0.97 0.08 1.71) = 0.922% Peak 907 (0.88, 7.59, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 7.28, residual support = 196.9: O HB3 LEU 63 - HN LEU 63 25.000% * 99.8528% (0.95 10.0 7.29 197.16) = 99.853% kept QG1 VAL 108 - HN LEU 63 25.000% * 0.0763% (0.73 1.0 0.02 0.02) = 0.076% QG1 VAL 18 - HN LEU 63 25.000% * 0.0417% (0.40 1.0 0.02 0.02) = 0.042% QG1 VAL 70 - HN LEU 63 25.000% * 0.0292% (0.28 1.0 0.02 0.02) = 0.029% Peak 908 (0.58, 7.59, 120.97 ppm): 7 chemical-shift based assignments, quality = 0.815, support = 6.17, residual support = 176.6: QD2 LEU 63 - HN LEU 63 14.286% * 45.8914% (0.77 7.27 197.16) = 45.891% kept QD1 LEU 63 - HN LEU 63 14.286% * 43.2657% (0.85 6.19 197.16) = 43.266% kept QD1 LEU 73 - HN LEU 63 14.286% * 10.6498% (0.85 1.52 7.26) = 10.650% kept QD2 LEU 115 - HN LEU 63 14.286% * 0.0721% (0.44 0.02 0.02) = 0.072% QD2 LEU 80 - HN LEU 63 14.286% * 0.0649% (0.40 0.02 0.48) = 0.065% QD1 LEU 104 - HN LEU 63 14.286% * 0.0301% (0.18 0.02 0.02) = 0.030% QG2 VAL 41 - HN LEU 63 14.286% * 0.0259% (0.16 0.02 0.02) = 0.026% Peak 909 (2.65, 7.86, 120.86 ppm): 2 chemical-shift based assignments, quality = 0.817, support = 3.66, residual support = 38.1: O HB2 ASP- 62 - HN ASP- 62 50.000% * 96.4593% (0.84 10.0 3.72 39.43) = 96.459% kept HB2 PRO 52 - HN ASP- 62 50.000% * 3.5407% (0.27 1.0 2.26 1.88) = 3.541% kept Peak 910 (2.45, 7.86, 120.86 ppm): 5 chemical-shift based assignments, quality = 0.794, support = 3.71, residual support = 39.3: O HB3 ASP- 62 - HN ASP- 62 20.000% * 99.7578% (0.80 10.0 3.72 39.43) = 99.758% kept HG3 MET 96 - HN ASP- 62 20.000% * 0.0963% (0.77 1.0 0.02 0.02) = 0.096% HG2 GLU- 36 - HN ASP- 62 20.000% * 0.0682% (0.54 1.0 0.02 0.02) = 0.068% HB3 ASP- 86 - HN ASP- 62 20.000% * 0.0476% (0.38 1.0 0.02 0.48) = 0.048% HG2 GLU- 29 - HN ASP- 62 20.000% * 0.0300% (0.24 1.0 0.02 0.02) = 0.030% Peak 911 (1.84, 7.86, 120.86 ppm): 13 chemical-shift based assignments, quality = 0.655, support = 1.0, residual support = 1.25: HB3 PRO 52 - HN ASP- 62 7.692% * 66.4596% (0.80 1.36 1.88) = 66.460% kept HG12 ILE 103 - HN ASP- 62 7.692% * 9.3738% (0.54 0.28 0.02) = 9.374% kept HG2 ARG+ 54 - HN ASP- 62 7.692% * 8.1307% (0.38 0.35 0.02) = 8.131% kept HG3 PRO 68 - HN ASP- 62 7.692% * 6.9497% (0.46 0.25 0.02) = 6.950% kept QB LYS+ 66 - HN ASP- 62 7.692% * 5.8759% (0.21 0.46 0.02) = 5.876% kept HG LEU 123 - HN ASP- 62 7.692% * 0.9776% (0.80 0.02 0.02) = 0.978% HB ILE 103 - HN ASP- 62 7.692% * 0.5155% (0.42 0.02 0.02) = 0.515% HB VAL 41 - HN ASP- 62 7.692% * 0.4668% (0.38 0.02 0.02) = 0.467% HB3 ASP- 105 - HN ASP- 62 7.692% * 0.4200% (0.34 0.02 0.02) = 0.420% QB LYS+ 33 - HN ASP- 62 7.692% * 0.2944% (0.24 0.02 0.02) = 0.294% HB3 GLN 90 - HN ASP- 62 7.692% * 0.2250% (0.18 0.02 0.02) = 0.225% QB LYS+ 81 - HN ASP- 62 7.692% * 0.1676% (0.14 0.02 0.02) = 0.168% QB LYS+ 106 - HN ASP- 62 7.692% * 0.1433% (0.12 0.02 0.02) = 0.143% Peak 912 (1.42, 7.86, 120.86 ppm): 11 chemical-shift based assignments, quality = 0.744, support = 2.54, residual support = 4.75: QB ALA 61 - HN ASP- 62 9.091% * 91.9195% (0.77 2.76 5.16) = 91.919% kept QB ALA 110 - HN ASP- 62 9.091% * 4.3449% (0.86 0.12 0.02) = 4.345% kept HG LEU 80 - HN ASP- 62 9.091% * 0.7459% (0.86 0.02 0.02) = 0.746% HG12 ILE 19 - HN ASP- 62 9.091% * 0.7387% (0.85 0.02 0.02) = 0.739% HB3 LEU 67 - HN ASP- 62 9.091% * 0.5433% (0.63 0.02 0.02) = 0.543% HB2 LEU 80 - HN ASP- 62 9.091% * 0.4357% (0.50 0.02 0.02) = 0.436% QG LYS+ 66 - HN ASP- 62 9.091% * 0.3642% (0.42 0.02 0.02) = 0.364% HD3 LYS+ 121 - HN ASP- 62 9.091% * 0.2968% (0.34 0.02 0.02) = 0.297% HB3 LYS+ 74 - HN ASP- 62 9.091% * 0.2653% (0.31 0.02 0.02) = 0.265% HG LEU 73 - HN ASP- 62 9.091% * 0.2080% (0.24 0.02 0.02) = 0.208% HG2 LYS+ 102 - HN ASP- 62 9.091% * 0.1377% (0.16 0.02 0.02) = 0.138% Peak 913 (1.82, 7.59, 120.97 ppm): 9 chemical-shift based assignments, quality = 0.783, support = 1.45, residual support = 1.34: QB LYS+ 65 - HN LEU 63 11.111% * 38.6581% (0.68 2.43 1.42) = 38.658% kept HG2 PRO 93 - HN LEU 63 11.111% * 23.0007% (0.99 0.99 0.32) = 23.001% kept QB LYS+ 66 - HN LEU 63 11.111% * 19.1507% (0.92 0.88 3.63) = 19.151% kept QB LYS+ 102 - HN LEU 63 11.111% * 10.8174% (0.81 0.57 0.02) = 10.817% kept HB3 PRO 52 - HN LEU 63 11.111% * 5.1635% (0.24 0.90 0.46) = 5.164% kept HB2 LEU 71 - HN LEU 63 11.111% * 2.5036% (0.63 0.17 0.02) = 2.504% kept HB VAL 41 - HN LEU 63 11.111% * 0.3409% (0.73 0.02 0.02) = 0.341% HG12 ILE 103 - HN LEU 63 11.111% * 0.2507% (0.53 0.02 0.02) = 0.251% HG LEU 123 - HN LEU 63 11.111% * 0.1145% (0.24 0.02 0.02) = 0.114% Peak 914 (3.93, 7.72, 117.18 ppm): 7 chemical-shift based assignments, quality = 0.588, support = 4.9, residual support = 26.1: O HA PHE 60 - HN ALA 61 14.286% * 97.5499% (0.58 10.0 5.02 26.75) = 97.550% kept QB SER 117 - HN ALA 61 14.286% * 2.0001% (0.99 1.0 0.24 0.02) = 2.000% kept HA2 GLY 51 - HN ALA 61 14.286% * 0.1293% (0.77 1.0 0.02 0.02) = 0.129% HA LYS+ 121 - HN ALA 61 14.286% * 0.1137% (0.68 1.0 0.02 0.02) = 0.114% HB THR 94 - HN ALA 61 14.286% * 0.0975% (0.58 1.0 0.02 0.02) = 0.098% QB SER 48 - HN ALA 61 14.286% * 0.0738% (0.44 1.0 0.02 0.02) = 0.074% HA ALA 120 - HN ALA 61 14.286% * 0.0356% (0.21 1.0 0.02 0.02) = 0.036% Peak 915 (3.74, 7.72, 117.18 ppm): 4 chemical-shift based assignments, quality = 0.914, support = 2.43, residual support = 13.6: O HA ALA 61 - HN ALA 61 25.000% * 97.9096% (0.92 10.0 2.47 13.89) = 97.910% kept HD3 PRO 58 - HN ALA 61 25.000% * 1.9875% (0.53 1.0 0.70 0.02) = 1.988% kept HD2 PRO 68 - HN ALA 61 25.000% * 0.0770% (0.73 1.0 0.02 0.02) = 0.077% HA VAL 75 - HN ALA 61 25.000% * 0.0259% (0.24 1.0 0.02 0.02) = 0.026% Peak 916 (3.41, 7.72, 117.18 ppm): 2 chemical-shift based assignments, quality = 0.782, support = 4.19, residual support = 23.5: HB2 PHE 60 - HN ALA 61 50.000% * 87.5512% (0.77 4.70 26.75) = 87.551% kept HB2 TRP 87 - HN ALA 61 50.000% * 12.4488% (0.85 0.60 0.21) = 12.449% kept Peak 917 (2.97, 7.72, 117.18 ppm): 5 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 26.6: HB3 PHE 60 - HN ALA 61 20.000% * 99.3596% (0.97 4.95 26.75) = 99.360% kept QE LYS+ 106 - HN ALA 61 20.000% * 0.3368% (0.81 0.02 0.02) = 0.337% HB2 PHE 97 - HN ALA 61 20.000% * 0.1149% (0.28 0.02 0.02) = 0.115% HB3 TRP 27 - HN ALA 61 20.000% * 0.1008% (0.24 0.02 0.02) = 0.101% HB2 ASN 35 - HN ALA 61 20.000% * 0.0878% (0.21 0.02 0.02) = 0.088% Peak 918 (1.44, 7.72, 117.18 ppm): 11 chemical-shift based assignments, quality = 0.636, support = 3.0, residual support = 13.1: O QB ALA 61 - HN ALA 61 9.091% * 93.9582% (0.63 10.0 3.16 13.89) = 93.958% kept QG LYS+ 66 - HN ALA 61 9.091% * 4.4659% (0.97 1.0 0.62 0.02) = 4.466% kept HG LEU 40 - HN ALA 61 9.091% * 0.5081% (0.49 1.0 0.14 0.02) = 0.508% HB3 LEU 67 - HN ALA 61 9.091% * 0.5046% (0.81 1.0 0.08 0.02) = 0.505% HG LEU 73 - HN ALA 61 9.091% * 0.1471% (0.99 1.0 0.02 0.02) = 0.147% HG2 LYS+ 102 - HN ALA 61 9.091% * 0.1375% (0.92 1.0 0.02 0.02) = 0.138% HB3 LEU 115 - HN ALA 61 9.091% * 0.0725% (0.49 1.0 0.02 0.02) = 0.073% HG LEU 80 - HN ALA 61 9.091% * 0.0591% (0.40 1.0 0.02 0.02) = 0.059% QB ALA 110 - HN ALA 61 9.091% * 0.0528% (0.35 1.0 0.02 0.02) = 0.053% HG LEU 67 - HN ALA 61 9.091% * 0.0528% (0.35 1.0 0.02 0.02) = 0.053% HG12 ILE 19 - HN ALA 61 9.091% * 0.0414% (0.28 1.0 0.02 0.02) = 0.041% Peak 920 (3.72, 7.25, 119.50 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 5.0, residual support = 34.7: HD3 PRO 58 - HN PHE 59 33.333% * 97.3204% (0.75 5.12 35.64) = 97.320% kept HA ALA 61 - HN PHE 59 33.333% * 2.3082% (0.16 0.56 0.62) = 2.308% kept HA VAL 75 - HN PHE 59 33.333% * 0.3714% (0.73 0.02 0.02) = 0.371% Peak 921 (3.33, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.758, support = 3.76, residual support = 48.6: O HB2 PHE 59 - HN PHE 59 16.667% * 96.7491% (0.76 10.0 3.86 50.28) = 96.749% kept QB PHE 55 - HN PHE 59 16.667% * 2.9826% (0.71 1.0 0.66 0.02) = 2.983% kept HD3 PRO 68 - HN PHE 59 16.667% * 0.0838% (0.66 1.0 0.02 0.02) = 0.084% HD3 PRO 93 - HN PHE 59 16.667% * 0.0798% (0.63 1.0 0.02 0.02) = 0.080% HB3 CYS 53 - HN PHE 59 16.667% * 0.0571% (0.45 1.0 0.02 0.02) = 0.057% HD2 ARG+ 54 - HN PHE 59 16.667% * 0.0477% (0.38 1.0 0.02 0.02) = 0.048% Peak 922 (3.17, 7.25, 119.50 ppm): 1 chemical-shift based assignment, quality = 0.629, support = 4.48, residual support = 50.3: O HB3 PHE 59 - HN PHE 59 100.000% *100.0000% (0.63 10.0 4.48 50.28) = 100.000% kept Peak 923 (2.38, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.164, support = 5.74, residual support = 31.3: O HB2 PRO 58 - HN PHE 59 16.667% * 87.7831% (0.10 10.0 6.52 35.64) = 87.783% kept HB2 GLU- 100 - HN PHE 59 16.667% * 6.4969% (0.69 1.0 0.22 0.02) = 6.497% kept HB2 GLN 116 - HN PHE 59 16.667% * 3.2181% (0.60 1.0 0.13 0.46) = 3.218% kept HB3 PHE 97 - HN PHE 59 16.667% * 1.8009% (0.45 1.0 0.10 0.50) = 1.801% kept QG GLU- 79 - HN PHE 59 16.667% * 0.4710% (0.56 1.0 0.02 0.02) = 0.471% QG GLN 32 - HN PHE 59 16.667% * 0.2300% (0.27 1.0 0.02 0.02) = 0.230% Peak 924 (2.08, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.745, support = 6.01, residual support = 34.2: HG2 PRO 58 - HN PHE 59 16.667% * 95.8104% (0.75 6.26 35.64) = 95.810% kept HB2 GLU- 14 - HN PHE 59 16.667% * 3.4313% (0.77 0.22 0.02) = 3.431% kept HG2 MET 11 - HN PHE 59 16.667% * 0.3149% (0.77 0.02 0.02) = 0.315% HG3 PRO 52 - HN PHE 59 16.667% * 0.3059% (0.75 0.02 0.02) = 0.306% HB2 PRO 93 - HN PHE 59 16.667% * 0.0875% (0.21 0.02 0.02) = 0.088% HB2 PRO 68 - HN PHE 59 16.667% * 0.0498% (0.12 0.02 0.02) = 0.050% Peak 925 (1.90, 7.25, 119.50 ppm): 7 chemical-shift based assignments, quality = 0.651, support = 6.14, residual support = 34.8: O HB3 PRO 58 - HN PHE 59 14.286% * 97.7428% (0.66 10.0 6.26 35.64) = 97.743% kept HB3 GLU- 14 - HN PHE 59 14.286% * 2.0192% (0.31 1.0 0.89 0.02) = 2.019% kept HB2 MET 92 - HN PHE 59 14.286% * 0.0721% (0.49 1.0 0.02 0.02) = 0.072% HG3 MET 11 - HN PHE 59 14.286% * 0.0721% (0.49 1.0 0.02 0.02) = 0.072% HB3 GLN 30 - HN PHE 59 14.286% * 0.0504% (0.34 1.0 0.02 0.02) = 0.050% HB3 LYS+ 38 - HN PHE 59 14.286% * 0.0279% (0.19 1.0 0.02 0.02) = 0.028% HB3 MET 96 - HN PHE 59 14.286% * 0.0155% (0.10 1.0 0.02 0.02) = 0.015% Peak 926 (1.71, 7.25, 119.50 ppm): 8 chemical-shift based assignments, quality = 0.514, support = 0.962, residual support = 2.61: QG1 ILE 56 - HN PHE 59 12.500% * 43.5574% (0.63 1.11 3.85) = 43.557% kept HB3 LYS+ 99 - HN PHE 59 12.500% * 20.9489% (0.52 0.64 1.24) = 20.949% kept QD LYS+ 99 - HN PHE 59 12.500% * 17.3537% (0.60 0.47 1.24) = 17.354% kept HB ILE 89 - HN PHE 59 12.500% * 16.4611% (0.16 1.61 2.79) = 16.461% kept QD LYS+ 106 - HN PHE 59 12.500% * 0.7005% (0.56 0.02 0.02) = 0.701% HB2 LEU 73 - HN PHE 59 12.500% * 0.4696% (0.38 0.02 0.18) = 0.470% HB3 MET 92 - HN PHE 59 12.500% * 0.3039% (0.24 0.02 0.02) = 0.304% HD2 LYS+ 111 - HN PHE 59 12.500% * 0.2050% (0.16 0.02 0.02) = 0.205% Peak 927 (3.76, 7.41, 127.14 ppm): 4 chemical-shift based assignments, quality = 0.37, support = 0.355, residual support = 0.329: HA LYS+ 38 - HN ALA 57 25.000% * 65.7600% (0.35 0.45 0.49) = 65.760% kept HA ALA 61 - HN ALA 57 25.000% * 23.0209% (0.21 0.26 0.02) = 23.021% kept HA VAL 24 - HN ALA 57 25.000% * 7.9150% (0.95 0.02 0.02) = 7.915% kept HD2 PRO 68 - HN ALA 57 25.000% * 3.3041% (0.40 0.02 0.02) = 3.304% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 928 (3.36, 7.41, 127.14 ppm): 2 chemical-shift based assignments, quality = 0.269, support = 0.324, residual support = 0.18: HD2 ARG+ 54 - HN ALA 57 50.000% * 85.7374% (0.28 0.37 0.21) = 85.737% kept HB3 CYS 53 - HN ALA 57 50.000% * 14.2626% (0.21 0.08 0.02) = 14.263% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 929 (1.90, 7.41, 127.14 ppm): 7 chemical-shift based assignments, quality = 0.78, support = 3.32, residual support = 15.6: HB3 PRO 58 - HN ALA 57 14.286% * 86.6087% (0.85 3.70 17.95) = 86.609% kept HB3 LYS+ 38 - HN ALA 57 14.286% * 7.7903% (0.24 1.17 0.49) = 7.790% kept HB3 GLN 30 - HN ALA 57 14.286% * 4.6199% (0.44 0.38 0.02) = 4.620% kept HB2 MET 92 - HN ALA 57 14.286% * 0.3450% (0.63 0.02 0.02) = 0.345% HG3 MET 11 - HN ALA 57 14.286% * 0.3450% (0.63 0.02 0.02) = 0.345% HB3 GLU- 14 - HN ALA 57 14.286% * 0.2170% (0.40 0.02 0.02) = 0.217% HB3 MET 96 - HN ALA 57 14.286% * 0.0740% (0.14 0.02 0.02) = 0.074% Peak 930 (1.64, 7.41, 127.14 ppm): 9 chemical-shift based assignments, quality = 0.88, support = 3.91, residual support = 14.7: O QB ALA 57 - HN ALA 57 11.111% * 98.7256% (0.89 10.0 3.96 14.85) = 98.726% kept HD2 LYS+ 74 - HN ALA 57 11.111% * 0.9298% (0.99 1.0 0.17 0.02) = 0.930% HD3 LYS+ 111 - HN ALA 57 11.111% * 0.0947% (0.85 1.0 0.02 0.02) = 0.095% QD LYS+ 33 - HN ALA 57 11.111% * 0.0592% (0.53 1.0 0.02 0.02) = 0.059% HB3 LEU 123 - HN ALA 57 11.111% * 0.0592% (0.53 1.0 0.02 0.02) = 0.059% HB2 LYS+ 121 - HN ALA 57 11.111% * 0.0439% (0.40 1.0 0.02 0.02) = 0.044% QD LYS+ 65 - HN ALA 57 11.111% * 0.0393% (0.35 1.0 0.02 0.02) = 0.039% HB VAL 83 - HN ALA 57 11.111% * 0.0308% (0.28 1.0 0.02 0.02) = 0.031% QD LYS+ 38 - HN ALA 57 11.111% * 0.0175% (0.16 1.0 0.02 0.49) = 0.018% Peak 931 (1.26, 7.41, 127.14 ppm): 10 chemical-shift based assignments, quality = 0.827, support = 3.44, residual support = 12.2: QG2 ILE 56 - HN ALA 57 10.000% * 73.8138% (0.81 4.47 16.41) = 73.814% kept HG3 LYS+ 38 - HN ALA 57 10.000% * 14.7725% (0.97 0.75 0.49) = 14.773% kept QG2 THR 39 - HN ALA 57 10.000% * 6.0370% (0.95 0.31 0.02) = 6.037% kept QB ALA 34 - HN ALA 57 10.000% * 4.2850% (0.58 0.36 0.02) = 4.285% kept QB ALA 91 - HN ALA 57 10.000% * 0.3852% (0.95 0.02 0.02) = 0.385% HG13 ILE 19 - HN ALA 57 10.000% * 0.2361% (0.58 0.02 0.02) = 0.236% HG3 LYS+ 99 - HN ALA 57 10.000% * 0.1438% (0.35 0.02 0.02) = 0.144% HG2 LYS+ 74 - HN ALA 57 10.000% * 0.1277% (0.31 0.02 0.02) = 0.128% HG LEU 71 - HN ALA 57 10.000% * 0.1127% (0.28 0.02 0.02) = 0.113% QG2 THR 23 - HN ALA 57 10.000% * 0.0862% (0.21 0.02 0.02) = 0.086% Peak 932 (2.88, 7.68, 113.30 ppm): 4 chemical-shift based assignments, quality = 0.301, support = 2.88, residual support = 47.8: O HB2 ASN 69 - HD21 ASN 69 25.000% * 97.2639% (0.30 10.0 2.95 49.18) = 97.264% kept QE LYS+ 66 - HD21 ASN 69 25.000% * 1.5072% (0.43 1.0 0.21 0.19) = 1.507% kept HB3 ASN 35 - HD21 ASN 69 25.000% * 1.1567% (0.22 1.0 0.32 0.02) = 1.157% kept HB2 ASP- 76 - HD21 ASN 69 25.000% * 0.0722% (0.22 1.0 0.02 0.02) = 0.072% Peak 933 (0.88, 7.68, 113.30 ppm): 6 chemical-shift based assignments, quality = 0.282, support = 2.3, residual support = 8.14: QG1 VAL 70 - HD21 ASN 69 16.667% * 56.2226% (0.25 3.43 14.22) = 56.223% kept QG1 VAL 18 - HD21 ASN 69 16.667% * 24.3068% (0.33 1.12 0.56) = 24.307% kept HB3 LEU 63 - HD21 ASN 69 16.667% * 9.1413% (0.56 0.25 0.02) = 9.141% kept QD1 LEU 71 - HD21 ASN 69 16.667% * 7.0569% (0.12 0.89 0.11) = 7.057% kept QD1 LEU 123 - HD21 ASN 69 16.667% * 2.8750% (0.12 0.36 0.02) = 2.875% kept QG1 VAL 108 - HD21 ASN 69 16.667% * 0.3973% (0.30 0.02 0.02) = 0.397% Peak 934 (4.37, 7.68, 113.30 ppm): 6 chemical-shift based assignments, quality = 0.437, support = 0.02, residual support = 0.02: HA ASP- 113 - HD21 ASN 69 16.667% * 22.4536% (0.53 0.02 0.02) = 22.454% kept HA LYS+ 99 - HD21 ASN 69 16.667% * 21.8162% (0.52 0.02 0.02) = 21.816% kept HA ASN 35 - HD21 ASN 69 16.667% * 18.2370% (0.43 0.02 0.02) = 18.237% kept HA ILE 56 - HD21 ASN 69 16.667% * 17.1612% (0.41 0.02 0.02) = 17.161% kept HA LEU 123 - HD21 ASN 69 16.667% * 13.7612% (0.33 0.02 0.02) = 13.761% kept HA PHE 59 - HD21 ASN 69 16.667% * 6.5709% (0.16 0.02 0.02) = 6.571% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 935 (3.33, 7.59, 115.08 ppm): 12 chemical-shift based assignments, quality = 0.93, support = 3.02, residual support = 12.1: QB PHE 55 - HN ILE 56 8.333% * 70.6917% (0.95 4.10 16.77) = 70.692% kept HD2 ARG+ 54 - HN ILE 56 8.333% * 7.9362% (0.89 0.49 0.02) = 7.936% kept HB3 CYS 53 - HN ILE 56 8.333% * 7.0133% (0.95 0.41 0.02) = 7.013% kept HB2 PHE 59 - HN ILE 56 8.333% * 6.7296% (0.68 0.55 3.85) = 6.730% kept HD3 PRO 93 - HN ILE 56 8.333% * 4.6165% (1.00 0.26 0.02) = 4.616% kept HD3 PRO 68 - HN ILE 56 8.333% * 2.9661% (0.99 0.17 0.02) = 2.966% kept HD3 PRO 93 - HZ2 TRP 87 8.333% * 0.0085% (0.02 0.02 0.02) = 0.009% HD3 PRO 68 - HZ2 TRP 87 8.333% * 0.0084% (0.02 0.02 0.02) = 0.008% HB3 CYS 53 - HZ2 TRP 87 8.333% * 0.0081% (0.02 0.02 0.02) = 0.008% QB PHE 55 - HZ2 TRP 87 8.333% * 0.0081% (0.02 0.02 0.02) = 0.008% HD2 ARG+ 54 - HZ2 TRP 87 8.333% * 0.0076% (0.02 0.02 0.02) = 0.008% HB2 PHE 59 - HZ2 TRP 87 8.333% * 0.0058% (0.02 0.02 0.11) = 0.006% Peak 936 (1.89, 7.59, 115.08 ppm): 18 chemical-shift based assignments, quality = 0.81, support = 4.49, residual support = 77.2: O HB ILE 56 - HN ILE 56 5.556% * 90.2601% (0.81 10.0 4.82 85.51) = 90.260% kept HB3 PRO 58 - HN ILE 56 5.556% * 7.2027% (0.73 1.0 1.79 0.11) = 7.203% kept HB3 GLN 30 - HN ILE 56 5.556% * 2.2089% (1.00 1.0 0.40 0.97) = 2.209% kept HB3 LYS+ 38 - HN ILE 56 5.556% * 0.1052% (0.95 1.0 0.02 0.02) = 0.105% HB2 MET 92 - HN ILE 56 5.556% * 0.1023% (0.92 1.0 0.02 0.02) = 0.102% QB LYS+ 106 - HN ILE 56 5.556% * 0.0349% (0.31 1.0 0.02 0.02) = 0.035% QB LYS+ 81 - HN ILE 56 5.556% * 0.0308% (0.28 1.0 0.02 0.02) = 0.031% HB3 GLN 90 - HN ILE 56 5.556% * 0.0235% (0.21 1.0 0.02 0.93) = 0.024% QB LYS+ 33 - HN ILE 56 5.556% * 0.0175% (0.16 1.0 0.02 0.02) = 0.018% HB3 GLN 30 - HZ2 TRP 87 5.556% * 0.0026% (0.02 1.0 0.02 0.02) = 0.003% HB3 LYS+ 38 - HZ2 TRP 87 5.556% * 0.0025% (0.02 1.0 0.02 0.93) = 0.002% HB2 MET 92 - HZ2 TRP 87 5.556% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% HB ILE 56 - HZ2 TRP 87 5.556% * 0.0021% (0.02 1.0 0.02 2.55) = 0.002% HB3 PRO 58 - HZ2 TRP 87 5.556% * 0.0019% (0.02 1.0 0.02 0.02) = 0.002% QB LYS+ 106 - HZ2 TRP 87 5.556% * 0.0008% (0.01 1.0 0.02 0.17) = 0.001% QB LYS+ 81 - HZ2 TRP 87 5.556% * 0.0007% (0.01 1.0 0.02 0.02) = 0.001% HB3 GLN 90 - HZ2 TRP 87 5.556% * 0.0006% (0.01 1.0 0.02 0.02) = 0.001% QB LYS+ 33 - HZ2 TRP 87 5.556% * 0.0004% (0.00 1.0 0.02 0.02) = 0.000% Peak 937 (1.71, 7.59, 115.08 ppm): 16 chemical-shift based assignments, quality = 0.756, support = 4.45, residual support = 74.8: QG1 ILE 56 - HN ILE 56 6.250% * 87.3509% (0.81 5.01 85.51) = 87.351% kept HB2 LEU 73 - HN ILE 56 6.250% * 8.1234% (0.49 0.78 0.45) = 8.123% kept HD2 LYS+ 111 - HN ILE 56 6.250% * 2.0200% (0.21 0.44 0.84) = 2.020% kept QG1 ILE 56 - HZ2 TRP 87 6.250% * 0.9737% (0.02 2.37 2.55) = 0.974% HB ILE 89 - HN ILE 56 6.250% * 0.4311% (0.21 0.09 0.02) = 0.431% QD LYS+ 99 - HN ILE 56 6.250% * 0.3303% (0.77 0.02 0.02) = 0.330% QD LYS+ 106 - HN ILE 56 6.250% * 0.3108% (0.73 0.02 0.02) = 0.311% HB3 LYS+ 99 - HN ILE 56 6.250% * 0.2906% (0.68 0.02 0.02) = 0.291% HB3 MET 92 - HN ILE 56 6.250% * 0.1348% (0.31 0.02 0.02) = 0.135% QD LYS+ 99 - HZ2 TRP 87 6.250% * 0.0078% (0.02 0.02 0.02) = 0.008% QD LYS+ 106 - HZ2 TRP 87 6.250% * 0.0073% (0.02 0.02 0.17) = 0.007% HB3 LYS+ 99 - HZ2 TRP 87 6.250% * 0.0068% (0.02 0.02 0.02) = 0.007% HB2 LEU 73 - HZ2 TRP 87 6.250% * 0.0049% (0.01 0.02 0.02) = 0.005% HB3 MET 92 - HZ2 TRP 87 6.250% * 0.0032% (0.01 0.02 0.02) = 0.003% HD2 LYS+ 111 - HZ2 TRP 87 6.250% * 0.0021% (0.01 0.02 0.02) = 0.002% HB ILE 89 - HZ2 TRP 87 6.250% * 0.0021% (0.01 0.02 13.09) = 0.002% Peak 938 (1.45, 7.59, 115.08 ppm): 20 chemical-shift based assignments, quality = 0.738, support = 0.8, residual support = 0.345: HG LEU 40 - HN ILE 56 5.000% * 35.8110% (0.89 1.21 0.63) = 35.811% kept HG LEU 73 - HN ILE 56 5.000% * 16.2058% (0.85 0.57 0.45) = 16.206% kept HG LEU 67 - HN ILE 56 5.000% * 14.9784% (0.77 0.59 0.02) = 14.978% kept QG LYS+ 66 - HN ILE 56 5.000% * 10.2885% (0.63 0.49 0.02) = 10.289% kept QB ALA 61 - HN ILE 56 5.000% * 8.6672% (0.24 1.07 0.42) = 8.667% kept HB3 LEU 115 - HN ILE 56 5.000% * 6.1856% (0.89 0.21 0.02) = 6.186% kept HB3 LEU 67 - HN ILE 56 5.000% * 5.9969% (0.40 0.46 0.02) = 5.997% kept HG LEU 115 - HN ILE 56 5.000% * 0.9810% (0.24 0.12 0.02) = 0.981% HG2 LYS+ 102 - HN ILE 56 5.000% * 0.6288% (0.95 0.02 0.02) = 0.629% QB ALA 120 - HN ILE 56 5.000% * 0.1614% (0.24 0.02 0.02) = 0.161% HG2 LYS+ 102 - HZ2 TRP 87 5.000% * 0.0148% (0.02 0.02 0.02) = 0.015% HB3 LEU 115 - HZ2 TRP 87 5.000% * 0.0139% (0.02 0.02 0.02) = 0.014% HG LEU 40 - HZ2 TRP 87 5.000% * 0.0139% (0.02 0.02 0.02) = 0.014% HG LEU 73 - HZ2 TRP 87 5.000% * 0.0133% (0.02 0.02 0.02) = 0.013% HG LEU 67 - HZ2 TRP 87 5.000% * 0.0120% (0.02 0.02 0.02) = 0.012% QG LYS+ 66 - HZ2 TRP 87 5.000% * 0.0098% (0.01 0.02 0.02) = 0.010% HB3 LEU 67 - HZ2 TRP 87 5.000% * 0.0062% (0.01 0.02 0.02) = 0.006% QB ALA 61 - HZ2 TRP 87 5.000% * 0.0038% (0.01 0.02 0.21) = 0.004% QB ALA 120 - HZ2 TRP 87 5.000% * 0.0038% (0.01 0.02 0.02) = 0.004% HG LEU 115 - HZ2 TRP 87 5.000% * 0.0038% (0.01 0.02 0.02) = 0.004% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 939 (1.27, 7.59, 115.08 ppm): 14 chemical-shift based assignments, quality = 0.973, support = 5.33, residual support = 75.2: QG2 ILE 56 - HN ILE 56 7.143% * 87.9140% (1.00 6.03 85.51) = 87.914% kept HG3 LYS+ 38 - HN ILE 56 7.143% * 5.5720% (0.92 0.41 0.02) = 5.572% kept QB ALA 34 - HN ILE 56 7.143% * 2.7912% (0.92 0.21 0.02) = 2.791% kept QG2 THR 39 - HN ILE 56 7.143% * 2.5903% (0.63 0.28 0.02) = 2.590% kept QB ALA 91 - HN ILE 56 7.143% * 0.8720% (0.63 0.09 0.02) = 0.872% QG2 THR 23 - HN ILE 56 7.143% * 0.1558% (0.53 0.02 0.02) = 0.156% HG13 ILE 19 - HN ILE 56 7.143% * 0.0711% (0.24 0.02 0.02) = 0.071% QG2 ILE 56 - HZ2 TRP 87 7.143% * 0.0069% (0.02 0.02 2.55) = 0.007% QB ALA 34 - HZ2 TRP 87 7.143% * 0.0063% (0.02 0.02 0.02) = 0.006% HG3 LYS+ 38 - HZ2 TRP 87 7.143% * 0.0063% (0.02 0.02 0.93) = 0.006% QB ALA 91 - HZ2 TRP 87 7.143% * 0.0043% (0.01 0.02 0.02) = 0.004% QG2 THR 39 - HZ2 TRP 87 7.143% * 0.0043% (0.01 0.02 0.02) = 0.004% QG2 THR 23 - HZ2 TRP 87 7.143% * 0.0037% (0.01 0.02 0.02) = 0.004% HG13 ILE 19 - HZ2 TRP 87 7.143% * 0.0017% (0.01 0.02 0.02) = 0.002% Peak 941 (3.34, 7.87, 121.30 ppm): 12 chemical-shift based assignments, quality = 0.854, support = 5.22, residual support = 69.1: HD2 ARG+ 54 - HN ARG+ 54 8.333% * 44.3966% (0.92 6.41 133.22) = 44.397% kept HB3 CYS 53 - HN ARG+ 54 8.333% * 35.6032% (0.91 5.21 25.63) = 35.603% kept QB PHE 55 - HN ARG+ 54 8.333% * 15.7315% (0.67 3.13 5.31) = 15.731% kept HD3 PRO 68 - HN ARG+ 54 8.333% * 1.6336% (0.75 0.29 0.02) = 1.634% kept HB3 CYS 53 - HN ASP- 62 8.333% * 1.5038% (0.14 1.39 1.21) = 1.504% kept HD2 ARG+ 54 - HN ASP- 62 8.333% * 0.8969% (0.15 0.82 0.02) = 0.897% HD3 PRO 93 - HN ARG+ 54 8.333% * 0.1184% (0.79 0.02 0.02) = 0.118% HB2 PHE 59 - HN ARG+ 54 8.333% * 0.0549% (0.37 0.02 0.02) = 0.055% HD3 PRO 93 - HN ASP- 62 8.333% * 0.0187% (0.12 0.02 0.02) = 0.019% HD3 PRO 68 - HN ASP- 62 8.333% * 0.0179% (0.12 0.02 0.02) = 0.018% QB PHE 55 - HN ASP- 62 8.333% * 0.0159% (0.11 0.02 0.02) = 0.016% HB2 PHE 59 - HN ASP- 62 8.333% * 0.0087% (0.06 0.02 1.13) = 0.009% Peak 944 (2.03, 7.87, 121.30 ppm): 22 chemical-shift based assignments, quality = 0.237, support = 4.97, residual support = 105.5: O HB2 ARG+ 54 - HN ARG+ 54 4.545% * 79.2020% (0.15 10.0 6.19 133.22) = 79.202% kept HB2 LYS+ 111 - HN ARG+ 54 4.545% * 8.2105% (0.67 1.0 0.45 0.02) = 8.211% kept HB3 PRO 68 - HN ARG+ 54 4.545% * 7.1504% (0.91 1.0 0.29 0.02) = 7.150% kept HB2 LYS+ 111 - HN ASP- 62 4.545% * 1.4308% (0.11 1.0 0.50 0.19) = 1.431% kept HB3 PRO 68 - HN ASP- 62 4.545% * 0.9608% (0.14 1.0 0.25 0.02) = 0.961% HB2 GLN 30 - HN ARG+ 54 4.545% * 0.8769% (0.41 1.0 0.08 0.02) = 0.877% HG3 GLN 30 - HN ARG+ 54 4.545% * 0.4076% (0.75 1.0 0.02 0.02) = 0.408% QB GLU- 15 - HN ARG+ 54 4.545% * 0.3156% (0.58 1.0 0.02 0.02) = 0.316% HB2 GLN 17 - HN ARG+ 54 4.545% * 0.3156% (0.58 1.0 0.02 0.02) = 0.316% HB3 GLU- 100 - HN ARG+ 54 4.545% * 0.2672% (0.49 1.0 0.02 0.02) = 0.267% HB ILE 119 - HN ARG+ 54 4.545% * 0.2205% (0.41 1.0 0.02 0.02) = 0.221% HB3 GLU- 25 - HN ARG+ 54 4.545% * 0.1984% (0.37 1.0 0.02 0.02) = 0.198% HB VAL 108 - HN ARG+ 54 4.545% * 0.1063% (0.20 1.0 0.02 0.02) = 0.106% HG3 GLN 30 - HN ASP- 62 4.545% * 0.0645% (0.12 1.0 0.02 0.02) = 0.065% QB GLU- 15 - HN ASP- 62 4.545% * 0.0500% (0.09 1.0 0.02 0.02) = 0.050% HB2 GLN 17 - HN ASP- 62 4.545% * 0.0500% (0.09 1.0 0.02 0.02) = 0.050% HB3 GLU- 100 - HN ASP- 62 4.545% * 0.0423% (0.08 1.0 0.02 0.02) = 0.042% HB ILE 119 - HN ASP- 62 4.545% * 0.0349% (0.06 1.0 0.02 0.02) = 0.035% HB2 GLN 30 - HN ASP- 62 4.545% * 0.0349% (0.06 1.0 0.02 0.02) = 0.035% HB3 GLU- 25 - HN ASP- 62 4.545% * 0.0314% (0.06 1.0 0.02 0.02) = 0.031% HB VAL 108 - HN ASP- 62 4.545% * 0.0168% (0.03 1.0 0.02 0.02) = 0.017% HB2 ARG+ 54 - HN ASP- 62 4.545% * 0.0125% (0.02 1.0 0.02 0.02) = 0.013% Peak 945 (1.86, 7.87, 121.30 ppm): 24 chemical-shift based assignments, quality = 0.838, support = 5.15, residual support = 106.9: HG2 ARG+ 54 - HN ARG+ 54 4.167% * 80.1947% (0.91 6.23 133.22) = 80.195% kept HB3 PRO 52 - HN ARG+ 54 4.167% * 5.4253% (0.17 2.26 0.64) = 5.425% kept QB LYS+ 33 - HN ARG+ 54 4.167% * 5.1379% (0.91 0.40 0.33) = 5.138% kept HG3 PRO 68 - HN ARG+ 54 4.167% * 3.5886% (0.88 0.29 0.02) = 3.589% kept QB LYS+ 81 - HN ARG+ 54 4.167% * 2.3314% (0.82 0.20 0.02) = 2.331% kept HG2 ARG+ 54 - HN ASP- 62 4.167% * 0.7103% (0.14 0.35 0.02) = 0.710% HB3 PRO 52 - HN ASP- 62 4.167% * 0.5167% (0.03 1.36 1.88) = 0.517% HG3 PRO 68 - HN ASP- 62 4.167% * 0.4822% (0.14 0.25 0.02) = 0.482% HB3 ASP- 105 - HN ARG+ 54 4.167% * 0.2601% (0.92 0.02 0.02) = 0.260% HB ILE 103 - HN ARG+ 54 4.167% * 0.2535% (0.90 0.02 0.02) = 0.254% HB3 GLN 90 - HN ARG+ 54 4.167% * 0.2479% (0.88 0.02 0.02) = 0.248% HB3 LYS+ 38 - HN ARG+ 54 4.167% * 0.2234% (0.20 0.08 0.39) = 0.223% QB LYS+ 106 - HN ARG+ 54 4.167% * 0.2230% (0.79 0.02 0.02) = 0.223% HB ILE 56 - HN ARG+ 54 4.167% * 0.0925% (0.33 0.02 0.02) = 0.093% HG LEU 123 - HN ARG+ 54 4.167% * 0.0480% (0.17 0.02 0.25) = 0.048% HB3 ASP- 105 - HN ASP- 62 4.167% * 0.0412% (0.15 0.02 0.02) = 0.041% QB LYS+ 33 - HN ASP- 62 4.167% * 0.0408% (0.14 0.02 0.02) = 0.041% HB ILE 103 - HN ASP- 62 4.167% * 0.0401% (0.14 0.02 0.02) = 0.040% HB3 GLN 90 - HN ASP- 62 4.167% * 0.0392% (0.14 0.02 0.02) = 0.039% QB LYS+ 81 - HN ASP- 62 4.167% * 0.0368% (0.13 0.02 0.02) = 0.037% QB LYS+ 106 - HN ASP- 62 4.167% * 0.0353% (0.12 0.02 0.02) = 0.035% HB ILE 56 - HN ASP- 62 4.167% * 0.0146% (0.05 0.02 0.64) = 0.015% HB3 LYS+ 38 - HN ASP- 62 4.167% * 0.0088% (0.03 0.02 0.02) = 0.009% HG LEU 123 - HN ASP- 62 4.167% * 0.0076% (0.03 0.02 0.02) = 0.008% Peak 946 (1.42, 7.87, 121.30 ppm): 22 chemical-shift based assignments, quality = 0.631, support = 1.0, residual support = 1.35: HG LEU 80 - HN ARG+ 54 4.545% * 39.4122% (0.92 0.60 0.02) = 39.412% kept QB ALA 61 - HN ASP- 62 4.545% * 25.4820% (0.13 2.76 5.16) = 25.482% kept QB ALA 110 - HN ARG+ 54 4.545% * 16.0253% (0.92 0.24 0.02) = 16.025% kept QG LYS+ 66 - HN ARG+ 54 4.545% * 7.6041% (0.45 0.24 0.13) = 7.604% kept HB3 LEU 67 - HN ARG+ 54 4.545% * 4.4221% (0.67 0.09 0.18) = 4.422% kept HG12 ILE 19 - HN ARG+ 54 4.545% * 1.2937% (0.91 0.02 0.02) = 1.294% kept QB ALA 110 - HN ASP- 62 4.545% * 1.2045% (0.15 0.12 0.02) = 1.204% kept QB ALA 61 - HN ARG+ 54 4.545% * 1.1678% (0.82 0.02 0.02) = 1.168% kept HB2 LEU 80 - HN ARG+ 54 4.545% * 0.7630% (0.54 0.02 0.02) = 0.763% HD3 LYS+ 121 - HN ARG+ 54 4.545% * 0.5197% (0.37 0.02 0.02) = 0.520% HB3 LYS+ 74 - HN ARG+ 54 4.545% * 0.4646% (0.33 0.02 0.02) = 0.465% HG LEU 73 - HN ARG+ 54 4.545% * 0.3643% (0.26 0.02 0.02) = 0.364% HG2 LYS+ 102 - HN ARG+ 54 4.545% * 0.2411% (0.17 0.02 0.02) = 0.241% HG LEU 80 - HN ASP- 62 4.545% * 0.2068% (0.15 0.02 0.02) = 0.207% HG12 ILE 19 - HN ASP- 62 4.545% * 0.2048% (0.14 0.02 0.02) = 0.205% HB3 LEU 67 - HN ASP- 62 4.545% * 0.1506% (0.11 0.02 0.02) = 0.151% HB2 LEU 80 - HN ASP- 62 4.545% * 0.1208% (0.09 0.02 0.02) = 0.121% QG LYS+ 66 - HN ASP- 62 4.545% * 0.1010% (0.07 0.02 0.02) = 0.101% HD3 LYS+ 121 - HN ASP- 62 4.545% * 0.0823% (0.06 0.02 0.02) = 0.082% HB3 LYS+ 74 - HN ASP- 62 4.545% * 0.0736% (0.05 0.02 0.02) = 0.074% HG LEU 73 - HN ASP- 62 4.545% * 0.0577% (0.04 0.02 0.02) = 0.058% HG2 LYS+ 102 - HN ASP- 62 4.545% * 0.0382% (0.03 0.02 0.02) = 0.038% Peak 947 (3.96, 9.57, 121.38 ppm): 10 chemical-shift based assignments, quality = 0.331, support = 2.57, residual support = 10.1: O HA2 GLY 51 - HN GLY 51 10.000% * 85.4830% (0.35 10.0 2.21 10.06) = 85.483% kept HD2 PRO 52 - HN GLY 51 10.000% * 13.1902% (0.21 1.0 5.15 11.55) = 13.190% kept QB SER 85 - HN GLY 51 10.000% * 0.2290% (0.95 1.0 0.02 0.02) = 0.229% HA2 GLY 16 - HN GLY 51 10.000% * 0.2290% (0.95 1.0 0.02 0.02) = 0.229% HA ALA 120 - HN GLY 51 10.000% * 0.2225% (0.92 1.0 0.02 0.02) = 0.223% HA LYS+ 65 - HN GLY 51 10.000% * 0.2148% (0.89 1.0 0.02 0.02) = 0.215% QB SER 48 - HN GLY 51 10.000% * 0.1637% (0.68 1.0 0.02 0.02) = 0.164% HB THR 94 - HN GLY 51 10.000% * 0.1288% (0.53 1.0 0.02 0.02) = 0.129% HA LYS+ 121 - HN GLY 51 10.000% * 0.1063% (0.44 1.0 0.02 0.02) = 0.106% QB SER 117 - HN GLY 51 10.000% * 0.0326% (0.14 1.0 0.02 0.02) = 0.033% Peak 948 (2.79, 6.60, 121.96 ppm): 4 chemical-shift based assignments, quality = 0.58, support = 1.55, residual support = 6.11: O QB CYS 50 - HN CYS 50 25.000% * 99.6512% (0.58 10.0 1.56 6.13) = 99.651% kept HB3 ASP- 78 - HN CYS 50 25.000% * 0.1697% (0.77 1.0 0.02 0.02) = 0.170% QE LYS+ 74 - HN CYS 50 25.000% * 0.1387% (0.63 1.0 0.02 0.02) = 0.139% HB3 ASN 69 - HN CYS 50 25.000% * 0.0405% (0.18 1.0 0.02 0.02) = 0.040% Peak 949 (0.39, 6.60, 121.96 ppm): 3 chemical-shift based assignments, quality = 0.456, support = 1.32, residual support = 1.68: QB ALA 47 - HN CYS 50 33.333% * 50.0348% (0.44 1.73 2.90) = 50.035% kept QG1 VAL 42 - HN CYS 50 33.333% * 25.1521% (0.31 1.22 0.51) = 25.152% kept QB ALA 64 - HN CYS 50 33.333% * 24.8131% (0.63 0.60 0.39) = 24.813% kept Peak 950 (3.96, 6.63, 116.57 ppm): 10 chemical-shift based assignments, quality = 0.413, support = 2.96, residual support = 11.4: QB SER 48 - HN TRP 49 10.000% * 80.2672% (0.31 3.65 14.18) = 80.267% kept QB SER 85 - HN TRP 49 10.000% * 14.1195% (0.95 0.21 0.02) = 14.119% kept HA LYS+ 65 - HN TRP 49 10.000% * 1.3794% (0.99 0.02 0.02) = 1.379% kept HA2 GLY 16 - HN TRP 49 10.000% * 1.3275% (0.95 0.02 0.02) = 1.327% kept HA ALA 120 - HN TRP 49 10.000% * 0.8136% (0.58 0.02 0.02) = 0.814% HD2 PRO 52 - HN TRP 49 10.000% * 0.7462% (0.53 0.02 0.31) = 0.746% HA GLN 32 - HN TRP 49 10.000% * 0.4401% (0.31 0.02 0.02) = 0.440% HA ALA 88 - HN TRP 49 10.000% * 0.3885% (0.28 0.02 0.02) = 0.388% HB THR 94 - HN TRP 49 10.000% * 0.2969% (0.21 0.02 0.02) = 0.297% HA LYS+ 121 - HN TRP 49 10.000% * 0.2212% (0.16 0.02 0.42) = 0.221% Peak 952 (3.15, 6.63, 116.57 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 4.01, residual support = 72.1: O HB3 TRP 49 - HN TRP 49 50.000% * 99.8938% (0.73 10.0 4.01 72.15) = 99.894% kept HB3 PHE 59 - HN TRP 49 50.000% * 0.1062% (0.77 1.0 0.02 0.02) = 0.106% Peak 954 (3.96, 9.44, 119.76 ppm): 10 chemical-shift based assignments, quality = 0.31, support = 2.53, residual support = 10.3: O QB SER 48 - HN SER 48 10.000% * 98.4474% (0.31 10.0 2.57 10.44) = 98.447% kept HA LYS+ 65 - HN SER 48 10.000% * 0.3086% (0.99 1.0 0.02 0.02) = 0.309% HA2 GLY 16 - HN SER 48 10.000% * 0.2969% (0.95 1.0 0.02 0.02) = 0.297% QB SER 85 - HN SER 48 10.000% * 0.2969% (0.95 1.0 0.02 0.02) = 0.297% HA ALA 120 - HN SER 48 10.000% * 0.1820% (0.58 1.0 0.02 0.02) = 0.182% HD2 PRO 52 - HN SER 48 10.000% * 0.1669% (0.53 1.0 0.02 0.02) = 0.167% HA GLN 32 - HN SER 48 10.000% * 0.0984% (0.31 1.0 0.02 0.02) = 0.098% HA ALA 88 - HN SER 48 10.000% * 0.0869% (0.28 1.0 0.02 0.02) = 0.087% HB THR 94 - HN SER 48 10.000% * 0.0664% (0.21 1.0 0.02 0.02) = 0.066% HA LYS+ 121 - HN SER 48 10.000% * 0.0495% (0.16 1.0 0.02 0.02) = 0.049% Peak 955 (0.38, 9.44, 119.76 ppm): 4 chemical-shift based assignments, quality = 0.811, support = 3.16, residual support = 3.74: QB ALA 47 - HN SER 48 25.000% * 78.8490% (0.85 3.76 4.69) = 78.849% kept QG1 VAL 42 - HN SER 48 25.000% * 18.0604% (0.73 1.01 0.19) = 18.060% kept QB ALA 64 - HN SER 48 25.000% * 2.4688% (0.24 0.41 0.02) = 2.469% kept HG2 LYS+ 112 - HN SER 48 25.000% * 0.6217% (0.31 0.08 0.02) = 0.622% Peak 957 (3.40, 7.01, 120.97 ppm): 2 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02: HB2 PHE 60 - HN ALA 47 50.000% * 53.1956% (0.77 0.02 0.02) = 53.196% kept HB2 TRP 87 - HN ALA 47 50.000% * 46.8044% (0.68 0.02 0.02) = 46.804% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 958 (2.79, 7.01, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.867, support = 0.826, residual support = 1.75: QB CYS 50 - HN ALA 47 25.000% * 58.3105% (0.95 1.06 2.90) = 58.311% kept QE LYS+ 74 - HN ALA 47 25.000% * 21.0988% (0.97 0.37 0.02) = 21.099% kept HB3 ASN 69 - HN ALA 47 25.000% * 20.1786% (0.53 0.65 0.26) = 20.179% kept HB3 ASP- 78 - HN ALA 47 25.000% * 0.4120% (0.35 0.02 0.15) = 0.412% Peak 959 (0.74, 7.01, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.93, support = 2.86, residual support = 6.8: QG2 THR 46 - HN ALA 47 16.667% * 94.9122% (0.95 3.01 7.16) = 94.912% kept QG2 VAL 18 - HN ALA 47 16.667% * 3.3400% (0.85 0.12 0.02) = 3.340% kept QD1 ILE 19 - HN ALA 47 16.667% * 0.6131% (0.92 0.02 0.02) = 0.613% QD2 LEU 104 - HN ALA 47 16.667% * 0.5125% (0.77 0.02 0.02) = 0.512% QG1 VAL 43 - HN ALA 47 16.667% * 0.3867% (0.58 0.02 0.02) = 0.387% QG1 VAL 41 - HN ALA 47 16.667% * 0.2355% (0.35 0.02 0.02) = 0.235% Peak 960 (0.39, 7.01, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.447, support = 2.02, residual support = 8.42: O QB ALA 47 - HN ALA 47 33.333% * 95.4373% (0.44 10.0 2.09 8.82) = 95.437% kept QB ALA 64 - HN ALA 47 33.333% * 4.2108% (0.63 1.0 0.62 0.02) = 4.211% kept QG1 VAL 42 - HN ALA 47 33.333% * 0.3519% (0.31 1.0 0.10 0.44) = 0.352% Peak 961 (3.47, 8.46, 117.19 ppm): 3 chemical-shift based assignments, quality = 0.57, support = 0.783, residual support = 0.717: HA LYS+ 112 - HN THR 46 33.333% * 66.9250% (0.68 0.81 0.64) = 66.925% kept HB2 HIS 122 - HN THR 46 33.333% * 32.5547% (0.35 0.75 0.88) = 32.555% kept HB2 HIS 22 - HN THR 46 33.333% * 0.5203% (0.21 0.02 0.02) = 0.520% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 962 (1.32, 8.46, 117.19 ppm): 8 chemical-shift based assignments, quality = 0.691, support = 1.32, residual support = 2.29: QG2 THR 77 - HN THR 46 12.500% * 40.8053% (0.49 2.47 5.58) = 40.805% kept QB ALA 88 - HN THR 46 12.500% * 18.4346% (0.92 0.59 0.02) = 18.435% kept HG2 LYS+ 38 - HN THR 46 12.500% * 15.6613% (0.95 0.49 0.02) = 15.661% kept HG2 LYS+ 99 - HN THR 46 12.500% * 13.2494% (0.85 0.46 0.02) = 13.249% kept HG2 LYS+ 111 - HN THR 46 12.500% * 11.2367% (0.53 0.62 0.02) = 11.237% kept HB2 LEU 31 - HN THR 46 12.500% * 0.2991% (0.44 0.02 0.02) = 0.299% HB3 LEU 80 - HN THR 46 12.500% * 0.1887% (0.28 0.02 0.02) = 0.189% HB2 LEU 63 - HN THR 46 12.500% * 0.1249% (0.18 0.02 0.02) = 0.125% Peak 963 (1.03, 8.46, 117.19 ppm): 4 chemical-shift based assignments, quality = 0.47, support = 0.43, residual support = 0.362: HG3 LYS+ 112 - HN THR 46 25.000% * 55.0102% (0.18 0.73 0.64) = 55.010% kept QD1 ILE 119 - HN THR 46 25.000% * 28.7165% (0.73 0.10 0.02) = 28.716% kept HB2 LEU 104 - HN THR 46 25.000% * 8.1367% (0.99 0.02 0.02) = 8.137% kept QG2 VAL 108 - HN THR 46 25.000% * 8.1367% (0.99 0.02 0.02) = 8.137% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 964 (0.75, 8.46, 117.19 ppm): 6 chemical-shift based assignments, quality = 0.924, support = 2.25, residual support = 17.2: QG2 THR 46 - HN THR 46 16.667% * 66.6201% (0.95 2.93 25.27) = 66.620% kept QG2 VAL 18 - HN THR 46 16.667% * 24.6117% (1.00 1.03 0.77) = 24.612% kept QD1 ILE 19 - HN THR 46 16.667% * 7.7874% (0.58 0.56 1.78) = 7.787% kept QG1 VAL 43 - HN THR 46 16.667% * 0.4425% (0.92 0.02 0.02) = 0.443% QG1 VAL 41 - HN THR 46 16.667% * 0.3481% (0.73 0.02 0.02) = 0.348% QD2 LEU 104 - HN THR 46 16.667% * 0.1901% (0.40 0.02 0.02) = 0.190% Peak 965 (0.45, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 0.924, residual support = 0.562: QG1 VAL 75 - HN THR 46 50.000% * 75.9902% (0.89 1.08 0.69) = 75.990% kept QD1 LEU 115 - HN THR 46 50.000% * 24.0098% (0.68 0.45 0.16) = 24.010% kept Peak 966 (3.96, 8.74, 125.75 ppm): 10 chemical-shift based assignments, quality = 0.579, support = 2.68, residual support = 15.1: HB THR 94 - HN PHE 45 10.000% * 79.6529% (0.53 3.29 18.92) = 79.653% kept QB SER 85 - HN PHE 45 10.000% * 16.1853% (0.95 0.38 0.02) = 16.185% kept HA2 GLY 16 - HN PHE 45 10.000% * 0.8621% (0.95 0.02 0.02) = 0.862% HA ALA 120 - HN PHE 45 10.000% * 0.8376% (0.92 0.02 0.02) = 0.838% HA LYS+ 65 - HN PHE 45 10.000% * 0.8087% (0.89 0.02 0.02) = 0.809% QB SER 48 - HN PHE 45 10.000% * 0.6161% (0.68 0.02 0.02) = 0.616% HA LYS+ 121 - HN PHE 45 10.000% * 0.4000% (0.44 0.02 0.02) = 0.400% HA2 GLY 51 - HN PHE 45 10.000% * 0.3217% (0.35 0.02 0.02) = 0.322% HD2 PRO 52 - HN PHE 45 10.000% * 0.1928% (0.21 0.02 0.02) = 0.193% QB SER 117 - HN PHE 45 10.000% * 0.1228% (0.14 0.02 0.02) = 0.123% Peak 967 (3.06, 8.74, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 3.41, residual support = 65.2: O HB2 PHE 45 - HN PHE 45 33.333% * 97.7897% (0.99 10.0 3.47 66.57) = 97.790% kept QE LYS+ 111 - HN PHE 45 33.333% * 2.1791% (0.97 1.0 0.45 2.94) = 2.179% kept HB2 CYS 21 - HN PHE 45 33.333% * 0.0312% (0.31 1.0 0.02 0.02) = 0.031% Peak 968 (2.43, 8.74, 125.75 ppm): 6 chemical-shift based assignments, quality = 0.805, support = 3.73, residual support = 65.8: O HB3 PHE 45 - HN PHE 45 16.667% * 98.7865% (0.81 10.0 3.77 66.57) = 98.786% kept QE LYS+ 112 - HN PHE 45 16.667% * 0.9497% (0.81 1.0 0.19 0.39) = 0.950% HG2 GLU- 29 - HN PHE 45 16.667% * 0.1080% (0.89 1.0 0.02 0.02) = 0.108% HB3 ASP- 86 - HN PHE 45 16.667% * 0.0880% (0.73 1.0 0.02 0.02) = 0.088% HB VAL 107 - HN PHE 45 16.667% * 0.0382% (0.31 1.0 0.02 0.02) = 0.038% HB3 ASP- 62 - HN PHE 45 16.667% * 0.0296% (0.24 1.0 0.02 0.02) = 0.030% Peak 969 (1.33, 8.74, 125.75 ppm): 10 chemical-shift based assignments, quality = 0.664, support = 1.85, residual support = 4.42: HB3 ASP- 44 - HN PHE 45 10.000% * 26.0492% (0.35 4.06 12.77) = 26.049% kept HG2 LYS+ 99 - HN PHE 45 10.000% * 15.2765% (1.00 0.85 0.53) = 15.277% kept HG2 LYS+ 38 - HN PHE 45 10.000% * 15.0418% (0.95 0.87 0.47) = 15.042% kept QB ALA 88 - HN PHE 45 10.000% * 14.6902% (0.58 1.39 1.13) = 14.690% kept HG2 LYS+ 111 - HN PHE 45 10.000% * 10.5376% (0.89 0.65 2.94) = 10.538% kept HB2 LEU 31 - HN PHE 45 10.000% * 10.1018% (0.81 0.69 0.99) = 10.102% kept QG2 THR 77 - HN PHE 45 10.000% * 7.8216% (0.18 2.35 4.71) = 7.822% kept HB3 LEU 80 - HN PHE 45 10.000% * 0.2283% (0.63 0.02 0.02) = 0.228% HB2 LEU 63 - HN PHE 45 10.000% * 0.1761% (0.49 0.02 0.02) = 0.176% QB ALA 124 - HN PHE 45 10.000% * 0.0769% (0.21 0.02 0.02) = 0.077% Peak 970 (0.08, 8.74, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.828, support = 1.02, residual support = 4.32: QD1 ILE 89 - HN PHE 45 33.333% * 40.2004% (0.73 1.31 7.42) = 40.200% kept QG2 VAL 83 - HN PHE 45 33.333% * 37.3978% (0.97 0.91 2.97) = 37.398% kept QD2 LEU 31 - HN PHE 45 33.333% * 22.4018% (0.77 0.69 0.99) = 22.402% kept Peak 971 (2.42, 8.46, 117.19 ppm): 5 chemical-shift based assignments, quality = 0.988, support = 2.78, residual support = 4.78: HB3 PHE 45 - HN THR 46 20.000% * 79.6769% (1.00 3.32 5.85) = 79.677% kept QE LYS+ 112 - HN THR 46 20.000% * 17.9834% (1.00 0.75 0.64) = 17.983% kept HB VAL 107 - HN THR 46 20.000% * 1.9540% (0.73 0.11 0.02) = 1.954% kept HG2 GLU- 29 - HN THR 46 20.000% * 0.2342% (0.49 0.02 0.02) = 0.234% HB3 ASP- 86 - HN THR 46 20.000% * 0.1515% (0.31 0.02 0.02) = 0.152% Peak 973 (6.59, 8.09, 110.83 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 0.819, residual support = 2.88: HN CYS 50 - HN CYS 53 50.000% * 50.3383% (0.81 0.89 4.11) = 50.338% kept HN VAL 83 - HN CYS 53 50.000% * 49.6617% (0.95 0.75 1.63) = 49.662% kept Peak 974 (4.53, 8.09, 110.83 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 7.07, residual support = 39.5: O HA PRO 52 - HN CYS 53 50.000% * 99.7956% (0.49 10.0 7.09 39.58) = 99.796% kept HA LYS+ 111 - HN CYS 53 50.000% * 0.2044% (1.00 1.0 0.02 0.02) = 0.204% Peak 975 (4.16, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 4.38, residual support = 37.8: O HA CYS 53 - HN CYS 53 16.667% * 99.7750% (0.85 10.0 4.39 37.91) = 99.775% kept HA THR 26 - HN CYS 53 16.667% * 0.0792% (0.68 1.0 0.02 0.02) = 0.079% HA ILE 19 - HN CYS 53 16.667% * 0.0623% (0.53 1.0 0.02 0.02) = 0.062% HA GLU- 114 - HN CYS 53 16.667% * 0.0325% (0.28 1.0 0.02 0.02) = 0.032% HA GLU- 25 - HN CYS 53 16.667% * 0.0325% (0.28 1.0 0.02 0.02) = 0.032% HA1 GLY 101 - HN CYS 53 16.667% * 0.0185% (0.16 1.0 0.02 0.02) = 0.018% Peak 976 (3.96, 8.09, 110.83 ppm): 10 chemical-shift based assignments, quality = 0.259, support = 5.27, residual support = 23.0: HD2 PRO 52 - HN CYS 53 10.000% * 56.9595% (0.21 7.22 39.58) = 56.959% kept HA2 GLY 51 - HN CYS 53 10.000% * 38.9551% (0.35 2.96 1.06) = 38.955% kept QB SER 85 - HN CYS 53 10.000% * 0.7053% (0.95 0.02 0.02) = 0.705% HA2 GLY 16 - HN CYS 53 10.000% * 0.7053% (0.95 0.02 0.02) = 0.705% HA ALA 120 - HN CYS 53 10.000% * 0.6852% (0.92 0.02 0.02) = 0.685% HA LYS+ 65 - HN CYS 53 10.000% * 0.6615% (0.89 0.02 0.02) = 0.662% QB SER 48 - HN CYS 53 10.000% * 0.5040% (0.68 0.02 0.02) = 0.504% HB THR 94 - HN CYS 53 10.000% * 0.3965% (0.53 0.02 0.02) = 0.396% HA LYS+ 121 - HN CYS 53 10.000% * 0.3272% (0.44 0.02 0.02) = 0.327% QB SER 117 - HN CYS 53 10.000% * 0.1005% (0.14 0.02 0.02) = 0.100% Peak 977 (3.82, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 4.62, residual support = 37.5: O HB2 CYS 53 - HN CYS 53 16.667% * 86.7369% (0.97 10.0 4.52 37.91) = 86.737% kept HD3 PRO 52 - HN CYS 53 16.667% * 11.6717% (0.44 1.0 5.93 39.58) = 11.672% kept HA VAL 83 - HN CYS 53 16.667% * 1.4606% (0.44 1.0 0.74 1.63) = 1.461% kept HD2 PRO 58 - HN CYS 53 16.667% * 0.0477% (0.53 1.0 0.02 0.02) = 0.048% HA GLN 30 - HN CYS 53 16.667% * 0.0477% (0.53 1.0 0.02 0.02) = 0.048% HA GLU- 100 - HN CYS 53 16.667% * 0.0354% (0.40 1.0 0.02 0.02) = 0.035% Peak 978 (3.33, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 5.1, residual support = 34.9: O HB3 CYS 53 - HN CYS 53 16.667% * 81.6382% (0.95 10.0 5.46 37.91) = 81.638% kept HD2 ARG+ 54 - HN CYS 53 16.667% * 15.5779% (0.89 1.0 4.07 25.63) = 15.578% kept QB PHE 55 - HN CYS 53 16.667% * 1.7947% (0.95 1.0 0.44 0.02) = 1.795% kept HB2 PHE 59 - HN CYS 53 16.667% * 0.8187% (0.68 1.0 0.28 0.02) = 0.819% HD3 PRO 93 - HN CYS 53 16.667% * 0.0857% (1.00 1.0 0.02 0.02) = 0.086% HD3 PRO 68 - HN CYS 53 16.667% * 0.0848% (0.99 1.0 0.02 0.02) = 0.085% Peak 979 (2.79, 8.09, 110.83 ppm): 4 chemical-shift based assignments, quality = 0.587, support = 2.01, residual support = 2.79: QB CYS 50 - HN CYS 53 25.000% * 61.3810% (0.58 2.72 4.11) = 61.381% kept QE LYS+ 74 - HN CYS 53 25.000% * 26.4058% (0.63 1.08 0.98) = 26.406% kept HB3 ASP- 78 - HN CYS 53 25.000% * 6.9326% (0.77 0.23 0.02) = 6.933% kept HB3 ASN 69 - HN CYS 53 25.000% * 5.2806% (0.18 0.74 0.02) = 5.281% kept Peak 980 (2.30, 8.09, 110.83 ppm): 7 chemical-shift based assignments, quality = 0.555, support = 0.0613, residual support = 0.02: HB2 GLU- 79 - HN CYS 53 14.286% * 46.7048% (0.49 0.11 0.02) = 46.705% kept QB MET 11 - HN CYS 53 14.286% * 12.8394% (0.73 0.02 0.02) = 12.839% kept HG2 MET 92 - HN CYS 53 14.286% * 12.0049% (0.68 0.02 0.02) = 12.005% kept HG3 GLU- 36 - HN CYS 53 14.286% * 12.0049% (0.68 0.02 0.02) = 12.005% kept QG GLU- 114 - HN CYS 53 14.286% * 10.2956% (0.58 0.02 0.02) = 10.296% kept QG GLU- 15 - HN CYS 53 14.286% * 3.7574% (0.21 0.02 0.02) = 3.757% kept HB2 ASP- 44 - HN CYS 53 14.286% * 2.3929% (0.14 0.02 0.02) = 2.393% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 981 (2.08, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.968, support = 6.07, residual support = 35.5: HG3 PRO 52 - HN CYS 53 16.667% * 89.6872% (0.97 6.70 39.58) = 89.687% kept HG2 MET 11 - HN CYS 53 16.667% * 9.6499% (1.00 0.70 0.02) = 9.650% kept HB2 GLU- 14 - HN CYS 53 16.667% * 0.2748% (1.00 0.02 0.02) = 0.275% HG2 PRO 58 - HN CYS 53 16.667% * 0.2678% (0.97 0.02 0.02) = 0.268% HB2 PRO 93 - HN CYS 53 16.667% * 0.0766% (0.28 0.02 0.02) = 0.077% HB2 PRO 68 - HN CYS 53 16.667% * 0.0436% (0.16 0.02 0.02) = 0.044% Peak 982 (1.85, 8.09, 110.83 ppm): 12 chemical-shift based assignments, quality = 0.605, support = 5.89, residual support = 35.5: O HB3 PRO 52 - HN CYS 53 8.333% * 75.1981% (0.53 10.0 6.70 39.58) = 75.198% kept HG2 ARG+ 54 - HN CYS 53 8.333% * 22.4756% (0.85 1.0 3.73 25.63) = 22.476% kept QB LYS+ 33 - HN CYS 53 8.333% * 1.6150% (0.68 1.0 0.34 0.02) = 1.615% kept HG3 PRO 68 - HN CYS 53 8.333% * 0.1300% (0.92 1.0 0.02 0.02) = 0.130% HB ILE 103 - HN CYS 53 8.333% * 0.1255% (0.89 1.0 0.02 0.02) = 0.125% HB3 ASP- 105 - HN CYS 53 8.333% * 0.1147% (0.81 1.0 0.02 0.02) = 0.115% HB3 GLN 90 - HN CYS 53 8.333% * 0.0820% (0.58 1.0 0.02 0.02) = 0.082% HG LEU 123 - HN CYS 53 8.333% * 0.0752% (0.53 1.0 0.02 0.02) = 0.075% QB LYS+ 81 - HN CYS 53 8.333% * 0.0685% (0.49 1.0 0.02 0.02) = 0.069% QB LYS+ 106 - HN CYS 53 8.333% * 0.0621% (0.44 1.0 0.02 0.02) = 0.062% HG12 ILE 103 - HN CYS 53 8.333% * 0.0343% (0.24 1.0 0.02 0.02) = 0.034% HB VAL 41 - HN CYS 53 8.333% * 0.0191% (0.14 1.0 0.02 0.02) = 0.019% Peak 983 (8.05, 7.85, 118.81 ppm): 4 chemical-shift based assignments, quality = 0.718, support = 4.68, residual support = 31.8: T HN GLN 32 - HN LEU 31 25.000% * 90.5831% (0.72 10.00 5.08 35.12) = 90.583% kept HN SER 85 - HN LEU 31 25.000% * 6.5108% (0.93 1.00 1.11 0.32) = 6.511% kept T HN GLN 32 - HN PHE 55 25.000% * 2.8617% (0.27 10.00 0.17 0.02) = 2.862% kept HN SER 85 - HN PHE 55 25.000% * 0.0444% (0.35 1.00 0.02 0.02) = 0.044% Peak 984 (8.29, 7.85, 118.81 ppm): 8 chemical-shift based assignments, quality = 0.434, support = 4.51, residual support = 18.3: T HN GLN 30 - HN LEU 31 12.500% * 60.3395% (0.41 10.00 6.31 29.72) = 60.339% kept T HN GLN 30 - HN PHE 55 12.500% * 18.5736% (0.16 10.00 1.62 1.33) = 18.574% kept HN GLU- 29 - HN LEU 31 12.500% * 13.7990% (0.90 1.00 2.07 0.55) = 13.799% kept HN ASP- 86 - HN LEU 31 12.500% * 6.6040% (0.50 1.00 1.81 0.44) = 6.604% kept HN GLU- 29 - HN PHE 55 12.500% * 0.6263% (0.34 1.00 0.25 0.02) = 0.626% HN ASP- 86 - HN PHE 55 12.500% * 0.0278% (0.19 1.00 0.02 0.02) = 0.028% HN VAL 18 - HN LEU 31 12.500% * 0.0217% (0.15 1.00 0.02 0.02) = 0.022% HN VAL 18 - HN PHE 55 12.500% * 0.0082% (0.06 1.00 0.02 0.02) = 0.008% Peak 985 (4.47, 7.84, 118.81 ppm): 10 chemical-shift based assignments, quality = 0.391, support = 2.82, residual support = 14.7: O HA PHE 55 - HN PHE 55 10.000% * 90.5152% (0.39 10.0 3.07 16.20) = 90.515% kept HA PHE 55 - HN LEU 31 10.000% * 2.6177% (0.24 1.0 0.92 0.33) = 2.618% kept HA ALA 110 - HN PHE 55 10.000% * 2.5569% (0.68 1.0 0.32 0.43) = 2.557% kept HA GLN 90 - HN PHE 55 10.000% * 2.0882% (0.57 1.0 0.31 0.02) = 2.088% kept HA GLN 90 - HN LEU 31 10.000% * 1.9046% (0.36 1.0 0.45 0.02) = 1.905% kept HA ALA 110 - HN LEU 31 10.000% * 0.0998% (0.42 1.0 0.02 0.02) = 0.100% HA VAL 107 - HN PHE 55 10.000% * 0.0820% (0.35 1.0 0.02 0.02) = 0.082% HA ALA 91 - HN PHE 55 10.000% * 0.0517% (0.22 1.0 0.02 0.02) = 0.052% HA VAL 107 - HN LEU 31 10.000% * 0.0515% (0.22 1.0 0.02 0.02) = 0.051% HA ALA 91 - HN LEU 31 10.000% * 0.0325% (0.14 1.0 0.02 0.02) = 0.032% Peak 986 (3.33, 7.84, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.751, support = 3.2, residual support = 14.0: O QB PHE 55 - HN PHE 55 8.333% * 81.9539% (0.78 10.0 3.21 16.20) = 81.954% kept HD2 ARG+ 54 - HN PHE 55 8.333% * 13.5542% (0.64 1.0 4.01 5.31) = 13.554% kept HB3 CYS 53 - HN PHE 55 8.333% * 3.2768% (0.71 1.0 0.89 0.02) = 3.277% kept HD3 PRO 93 - HN PHE 55 8.333% * 0.3839% (0.79 1.0 0.09 0.02) = 0.384% HB3 CYS 53 - HN LEU 31 8.333% * 0.2743% (0.44 1.0 0.12 0.02) = 0.274% QB PHE 55 - HN LEU 31 8.333% * 0.2231% (0.49 1.0 0.09 0.33) = 0.223% HD3 PRO 68 - HN PHE 55 8.333% * 0.0830% (0.79 1.0 0.02 0.02) = 0.083% HB2 PHE 59 - HN PHE 55 8.333% * 0.0641% (0.61 1.0 0.02 0.02) = 0.064% HD3 PRO 68 - HN LEU 31 8.333% * 0.0521% (0.50 1.0 0.02 0.02) = 0.052% HD3 PRO 93 - HN LEU 31 8.333% * 0.0519% (0.50 1.0 0.02 0.02) = 0.052% HD2 ARG+ 54 - HN LEU 31 8.333% * 0.0425% (0.40 1.0 0.02 0.02) = 0.042% HB2 PHE 59 - HN LEU 31 8.333% * 0.0402% (0.38 1.0 0.02 0.02) = 0.040% Peak 987 (4.14, 7.84, 118.81 ppm): 14 chemical-shift based assignments, quality = 0.262, support = 2.61, residual support = 5.2: O HA ARG+ 54 - HN PHE 55 7.143% * 52.0893% (0.15 10.0 2.74 5.31) = 52.089% kept HA ASN 28 - HN LEU 31 7.143% * 26.9763% (0.38 1.0 3.93 7.63) = 26.976% kept HA THR 26 - HN LEU 31 7.143% * 5.1608% (0.27 1.0 1.09 0.13) = 5.161% kept HA GLU- 114 - HN LEU 31 7.143% * 5.0489% (0.46 1.0 0.62 0.12) = 5.049% kept HA ALA 34 - HN LEU 31 7.143% * 4.3112% (0.47 1.0 0.51 8.35) = 4.311% kept HA ASN 28 - HN PHE 55 7.143% * 2.6348% (0.61 1.0 0.24 0.02) = 2.635% kept HA LEU 115 - HN LEU 31 7.143% * 2.3744% (0.40 1.0 0.33 0.31) = 2.374% kept HA1 GLY 101 - HN PHE 55 7.143% * 0.2822% (0.79 1.0 0.02 0.02) = 0.282% HA ALA 34 - HN PHE 55 7.143% * 0.2690% (0.75 1.0 0.02 0.02) = 0.269% HA GLU- 114 - HN PHE 55 7.143% * 0.2613% (0.73 1.0 0.02 0.02) = 0.261% HA LEU 115 - HN PHE 55 7.143% * 0.2307% (0.64 1.0 0.02 2.08) = 0.231% HA1 GLY 101 - HN LEU 31 7.143% * 0.1772% (0.50 1.0 0.02 0.02) = 0.177% HA THR 26 - HN PHE 55 7.143% * 0.1512% (0.42 1.0 0.02 0.02) = 0.151% HA ARG+ 54 - HN LEU 31 7.143% * 0.0327% (0.09 1.0 0.02 0.02) = 0.033% Peak 988 (3.63, 7.85, 118.81 ppm): 2 chemical-shift based assignments, quality = 0.491, support = 6.28, residual support = 186.9: O HA LEU 31 - HN LEU 31 50.000% * 98.1511% (0.50 10.0 6.38 190.40) = 98.151% kept HA LEU 31 - HN PHE 55 50.000% * 1.8489% (0.19 1.0 0.99 0.33) = 1.849% kept Peak 989 (2.03, 7.84, 118.81 ppm): 22 chemical-shift based assignments, quality = 0.452, support = 4.68, residual support = 21.9: HG3 GLN 30 - HN LEU 31 4.545% * 39.4498% (0.49 5.73 29.72) = 39.450% kept HB2 GLN 30 - HN LEU 31 4.545% * 31.5663% (0.36 6.23 29.72) = 31.566% kept HB2 ARG+ 54 - HN PHE 55 4.545% * 11.1120% (0.28 2.82 5.31) = 11.112% kept HG3 GLN 30 - HN PHE 55 4.545% * 9.2476% (0.78 0.84 1.33) = 9.248% kept HB2 GLN 30 - HN PHE 55 4.545% * 7.0814% (0.57 0.88 1.33) = 7.081% kept HB3 GLU- 100 - HN PHE 55 4.545% * 0.1810% (0.64 0.02 0.02) = 0.181% HB3 PRO 68 - HN PHE 55 4.545% * 0.1810% (0.64 0.02 0.02) = 0.181% HB ILE 119 - HN PHE 55 4.545% * 0.1613% (0.57 0.02 0.02) = 0.161% HB3 PRO 68 - HN LEU 31 4.545% * 0.1136% (0.40 0.02 0.02) = 0.114% HB3 GLU- 100 - HN LEU 31 4.545% * 0.1136% (0.40 0.02 0.02) = 0.114% HB ILE 119 - HN LEU 31 4.545% * 0.1013% (0.36 0.02 0.02) = 0.101% HB VAL 108 - HN PHE 55 4.545% * 0.0979% (0.35 0.02 0.02) = 0.098% HB2 LYS+ 111 - HN PHE 55 4.545% * 0.0979% (0.35 0.02 0.02) = 0.098% QB GLU- 15 - HN PHE 55 4.545% * 0.0788% (0.28 0.02 0.02) = 0.079% HB2 GLN 17 - HN PHE 55 4.545% * 0.0788% (0.28 0.02 0.02) = 0.079% HB VAL 108 - HN LEU 31 4.545% * 0.0615% (0.22 0.02 0.02) = 0.061% HB2 LYS+ 111 - HN LEU 31 4.545% * 0.0615% (0.22 0.02 0.02) = 0.061% HB2 ARG+ 54 - HN LEU 31 4.545% * 0.0494% (0.18 0.02 0.02) = 0.049% QB GLU- 15 - HN LEU 31 4.545% * 0.0494% (0.18 0.02 0.02) = 0.049% HB2 GLN 17 - HN LEU 31 4.545% * 0.0494% (0.18 0.02 0.02) = 0.049% HB3 GLU- 25 - HN PHE 55 4.545% * 0.0409% (0.15 0.02 0.02) = 0.041% HB3 GLU- 25 - HN LEU 31 4.545% * 0.0257% (0.09 0.02 0.10) = 0.026% Peak 990 (1.34, 7.85, 118.81 ppm): 22 chemical-shift based assignments, quality = 0.711, support = 5.76, residual support = 171.5: O HB2 LEU 31 - HN LEU 31 4.545% * 90.0139% (0.72 10.0 6.34 190.40) = 90.014% kept QB ALA 84 - HN LEU 31 4.545% * 2.9851% (0.63 1.0 0.75 0.02) = 2.985% kept HB3 LEU 80 - HN LEU 31 4.545% * 1.7278% (0.86 1.0 0.32 3.21) = 1.728% kept HB2 LEU 63 - HN LEU 31 4.545% * 1.6771% (0.92 1.0 0.29 0.02) = 1.677% kept HB2 LEU 31 - HN PHE 55 4.545% * 1.6766% (0.27 1.0 0.98 0.33) = 1.677% kept HB3 ASP- 44 - HN LEU 31 4.545% * 1.1738% (0.93 1.0 0.20 0.25) = 1.174% kept QB ALA 124 - HN LEU 31 4.545% * 0.1077% (0.86 1.0 0.02 0.02) = 0.108% HG LEU 98 - HN LEU 31 4.545% * 0.0950% (0.76 1.0 0.02 0.02) = 0.095% HG2 LYS+ 111 - HN LEU 31 4.545% * 0.0792% (0.63 1.0 0.02 0.02) = 0.079% HB3 PRO 93 - HN LEU 31 4.545% * 0.0736% (0.59 1.0 0.02 0.02) = 0.074% HB3 ASP- 44 - HN PHE 55 4.545% * 0.0442% (0.35 1.0 0.02 0.02) = 0.044% HB2 LEU 63 - HN PHE 55 4.545% * 0.0437% (0.35 1.0 0.02 0.02) = 0.044% HG2 LYS+ 99 - HN LEU 31 4.545% * 0.0414% (0.33 1.0 0.02 0.02) = 0.041% QB ALA 124 - HN PHE 55 4.545% * 0.0409% (0.33 1.0 0.02 0.02) = 0.041% HB3 LEU 80 - HN PHE 55 4.545% * 0.0409% (0.33 1.0 0.02 0.90) = 0.041% HG LEU 98 - HN PHE 55 4.545% * 0.0361% (0.29 1.0 0.02 0.02) = 0.036% QB ALA 84 - HN PHE 55 4.545% * 0.0301% (0.24 1.0 0.02 0.02) = 0.030% HG2 LYS+ 111 - HN PHE 55 4.545% * 0.0301% (0.24 1.0 0.02 0.02) = 0.030% HG2 LYS+ 38 - HN LEU 31 4.545% * 0.0284% (0.23 1.0 0.02 0.02) = 0.028% HB3 PRO 93 - HN PHE 55 4.545% * 0.0279% (0.22 1.0 0.02 0.02) = 0.028% HG2 LYS+ 99 - HN PHE 55 4.545% * 0.0157% (0.13 1.0 0.02 0.02) = 0.016% HG2 LYS+ 38 - HN PHE 55 4.545% * 0.0108% (0.09 1.0 0.02 0.02) = 0.011% Peak 991 (1.13, 7.85, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.78, support = 6.22, residual support = 185.3: O HB3 LEU 31 - HN LEU 31 8.333% * 97.3168% (0.80 10.0 6.38 190.40) = 97.317% kept HB3 LEU 31 - HN PHE 55 8.333% * 1.8270% (0.30 1.0 0.99 0.33) = 1.827% kept HG13 ILE 119 - HN LEU 31 8.333% * 0.5632% (0.83 1.0 0.11 0.02) = 0.563% QB ALA 20 - HN LEU 31 8.333% * 0.0973% (0.80 1.0 0.02 0.02) = 0.097% HG2 LYS+ 121 - HN LEU 31 8.333% * 0.0451% (0.37 1.0 0.02 0.02) = 0.045% HG13 ILE 119 - HN PHE 55 8.333% * 0.0385% (0.31 1.0 0.02 0.02) = 0.039% QB ALA 20 - HN PHE 55 8.333% * 0.0370% (0.30 1.0 0.02 0.02) = 0.037% QG2 VAL 107 - HN LEU 31 8.333% * 0.0209% (0.17 1.0 0.02 0.02) = 0.021% HD3 LYS+ 112 - HN LEU 31 8.333% * 0.0209% (0.17 1.0 0.02 0.50) = 0.021% HG2 LYS+ 121 - HN PHE 55 8.333% * 0.0171% (0.14 1.0 0.02 0.02) = 0.017% QG2 VAL 107 - HN PHE 55 8.333% * 0.0080% (0.07 1.0 0.02 0.02) = 0.008% HD3 LYS+ 112 - HN PHE 55 8.333% * 0.0080% (0.07 1.0 0.02 0.11) = 0.008% Peak 992 (0.79, 7.85, 118.81 ppm): 8 chemical-shift based assignments, quality = 0.552, support = 4.0, residual support = 105.9: HG LEU 31 - HN LEU 31 12.500% * 54.2420% (0.54 6.12 190.40) = 54.242% kept QD1 ILE 56 - HN PHE 55 12.500% * 15.1477% (0.35 2.65 16.77) = 15.148% kept QD1 ILE 56 - HN LEU 31 12.500% * 12.5085% (0.92 0.83 0.11) = 12.508% kept HG3 LYS+ 121 - HN LEU 31 12.500% * 10.4542% (0.54 1.18 0.02) = 10.454% kept HG LEU 31 - HN PHE 55 12.500% * 3.9401% (0.21 1.17 0.33) = 3.940% kept QD2 LEU 73 - HN LEU 31 12.500% * 3.5509% (0.72 0.30 0.74) = 3.551% kept QD2 LEU 73 - HN PHE 55 12.500% * 0.0893% (0.27 0.02 0.02) = 0.089% HG3 LYS+ 121 - HN PHE 55 12.500% * 0.0674% (0.21 0.02 0.02) = 0.067% Peak 993 (0.04, 7.85, 118.81 ppm): 2 chemical-shift based assignments, quality = 0.762, support = 0.02, residual support = 0.65: QG2 VAL 43 - HN LEU 31 50.000% * 72.4743% (0.92 0.02 0.89) = 72.474% kept QG2 VAL 43 - HN PHE 55 50.000% * 27.5257% (0.35 0.02 0.02) = 27.526% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 994 (0.60, 7.85, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.798, support = 0.909, residual support = 1.32: QD2 LEU 80 - HN LEU 31 8.333% * 30.3385% (0.88 1.15 3.21) = 30.339% kept QD1 LEU 104 - HN LEU 31 8.333% * 26.3309% (0.92 0.96 0.37) = 26.331% kept QD2 LEU 115 - HN LEU 31 8.333% * 24.5396% (0.86 0.96 0.31) = 24.540% kept QD1 LEU 73 - HN LEU 31 8.333% * 5.9648% (0.50 0.40 0.74) = 5.965% kept QD2 LEU 115 - HN PHE 55 8.333% * 5.5114% (0.33 0.56 2.08) = 5.511% kept QD1 LEU 63 - HN LEU 31 8.333% * 5.0242% (0.50 0.34 0.02) = 5.024% kept QD2 LEU 80 - HN PHE 55 8.333% * 1.4460% (0.34 0.14 0.90) = 1.446% kept QG1 VAL 83 - HN LEU 31 8.333% * 0.2972% (0.50 0.02 0.02) = 0.297% QD1 LEU 104 - HN PHE 55 8.333% * 0.2087% (0.35 0.02 0.02) = 0.209% QD1 LEU 63 - HN PHE 55 8.333% * 0.1129% (0.19 0.02 0.02) = 0.113% QD1 LEU 73 - HN PHE 55 8.333% * 0.1129% (0.19 0.02 0.02) = 0.113% QG1 VAL 83 - HN PHE 55 8.333% * 0.1129% (0.19 0.02 0.02) = 0.113% Peak 995 (1.90, 7.85, 118.81 ppm): 14 chemical-shift based assignments, quality = 0.562, support = 5.23, residual support = 22.2: HB3 GLN 30 - HN LEU 31 7.143% * 71.2431% (0.59 6.77 29.72) = 71.243% kept HB3 PRO 58 - HN LEU 31 7.143% * 9.7761% (0.90 0.60 0.02) = 9.776% kept HB3 GLN 30 - HN PHE 55 7.143% * 6.7571% (0.22 1.69 1.33) = 6.757% kept HB ILE 56 - HN PHE 55 7.143% * 5.7978% (0.09 3.75 16.77) = 5.798% kept HB2 MET 92 - HN LEU 31 7.143% * 4.1695% (0.76 0.31 0.02) = 4.169% kept HB ILE 56 - HN LEU 31 7.143% * 1.5326% (0.23 0.38 0.11) = 1.533% kept HG3 MET 11 - HN LEU 31 7.143% * 0.1470% (0.41 0.02 0.02) = 0.147% HB3 LYS+ 38 - HN LEU 31 7.143% * 0.1323% (0.37 0.02 0.02) = 0.132% HB3 PRO 58 - HN PHE 55 7.143% * 0.1231% (0.34 0.02 0.02) = 0.123% HB2 MET 92 - HN PHE 55 7.143% * 0.1032% (0.29 0.02 0.02) = 0.103% HB3 GLU- 14 - HN LEU 31 7.143% * 0.0813% (0.23 0.02 0.02) = 0.081% HG3 MET 11 - HN PHE 55 7.143% * 0.0558% (0.16 0.02 0.02) = 0.056% HB3 LYS+ 38 - HN PHE 55 7.143% * 0.0502% (0.14 0.02 0.02) = 0.050% HB3 GLU- 14 - HN PHE 55 7.143% * 0.0309% (0.09 0.02 0.02) = 0.031% Peak 996 (2.72, 7.85, 118.81 ppm): 4 chemical-shift based assignments, quality = 0.409, support = 5.59, residual support = 24.1: HG2 GLN 30 - HN LEU 31 25.000% * 75.9530% (0.37 7.02 29.72) = 75.953% kept HB3 ASN 28 - HN LEU 31 25.000% * 19.4497% (0.63 1.05 7.63) = 19.450% kept HG2 GLN 30 - HN PHE 55 25.000% * 4.4567% (0.14 1.08 1.33) = 4.457% kept HB3 ASN 28 - HN PHE 55 25.000% * 0.1406% (0.24 0.02 0.02) = 0.141% Peak 997 (3.85, 7.85, 118.81 ppm): 16 chemical-shift based assignments, quality = 0.533, support = 5.73, residual support = 28.0: O HA GLN 30 - HN LEU 31 6.250% * 94.2540% (0.54 10.0 6.04 29.72) = 94.254% kept HD3 PRO 52 - HN LEU 31 6.250% * 2.8349% (0.63 1.0 0.52 0.31) = 2.835% kept HA GLN 30 - HN PHE 55 6.250% * 2.1276% (0.21 1.0 1.19 1.33) = 2.128% kept HB3 SER 82 - HN LEU 31 6.250% * 0.1573% (0.90 1.0 0.02 0.02) = 0.157% QB SER 13 - HN LEU 31 6.250% * 0.1099% (0.63 1.0 0.02 0.02) = 0.110% HB THR 39 - HN LEU 31 6.250% * 0.1021% (0.59 1.0 0.02 0.02) = 0.102% HB3 SER 37 - HN LEU 31 6.250% * 0.0713% (0.41 1.0 0.02 0.02) = 0.071% HA ILE 89 - HN LEU 31 6.250% * 0.0713% (0.41 1.0 0.02 0.02) = 0.071% HB3 SER 82 - HN PHE 55 6.250% * 0.0597% (0.34 1.0 0.02 0.02) = 0.060% QB SER 13 - HN PHE 55 6.250% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% HD3 PRO 52 - HN PHE 55 6.250% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% HB THR 39 - HN PHE 55 6.250% * 0.0388% (0.22 1.0 0.02 0.02) = 0.039% HB3 SER 37 - HN PHE 55 6.250% * 0.0271% (0.16 1.0 0.02 0.02) = 0.027% HA ILE 89 - HN PHE 55 6.250% * 0.0271% (0.16 1.0 0.02 0.02) = 0.027% HB2 CYS 53 - HN LEU 31 6.250% * 0.0256% (0.15 1.0 0.02 0.02) = 0.026% HB2 CYS 53 - HN PHE 55 6.250% * 0.0097% (0.06 1.0 0.02 0.02) = 0.010% Peak 998 (4.13, 7.87, 121.30 ppm): 16 chemical-shift based assignments, quality = 0.493, support = 6.21, residual support = 129.7: O HA ARG+ 54 - HN ARG+ 54 6.250% * 97.3537% (0.49 10.0 6.38 133.22) = 97.354% kept HA ALA 34 - HN ARG+ 54 6.250% * 1.5817% (0.85 1.0 0.19 0.02) = 1.582% kept HA ALA 124 - HN ARG+ 54 6.250% * 0.2846% (0.37 1.0 0.08 0.02) = 0.285% HA ASN 28 - HN ARG+ 54 6.250% * 0.1823% (0.92 1.0 0.02 0.02) = 0.182% HA LEU 115 - HN ARG+ 54 6.250% * 0.1817% (0.92 1.0 0.02 0.95) = 0.182% HA1 GLY 101 - HN ARG+ 54 6.250% * 0.1324% (0.67 1.0 0.02 0.02) = 0.132% HA GLU- 114 - HN ARG+ 54 6.250% * 0.0974% (0.49 1.0 0.02 0.02) = 0.097% HA THR 26 - HN ARG+ 54 6.250% * 0.0335% (0.17 1.0 0.02 0.02) = 0.034% HA ASN 28 - HN ASP- 62 6.250% * 0.0289% (0.15 1.0 0.02 0.02) = 0.029% HA LEU 115 - HN ASP- 62 6.250% * 0.0288% (0.15 1.0 0.02 0.02) = 0.029% HA ALA 34 - HN ASP- 62 6.250% * 0.0266% (0.13 1.0 0.02 0.02) = 0.027% HA1 GLY 101 - HN ASP- 62 6.250% * 0.0210% (0.11 1.0 0.02 0.02) = 0.021% HA ARG+ 54 - HN ASP- 62 6.250% * 0.0154% (0.08 1.0 0.02 0.02) = 0.015% HA GLU- 114 - HN ASP- 62 6.250% * 0.0154% (0.08 1.0 0.02 0.02) = 0.015% HA ALA 124 - HN ASP- 62 6.250% * 0.0114% (0.06 1.0 0.02 0.02) = 0.011% HA THR 26 - HN ASP- 62 6.250% * 0.0053% (0.03 1.0 0.02 0.02) = 0.005% Peak 1000 (3.68, 6.63, 116.57 ppm): 5 chemical-shift based assignments, quality = 0.968, support = 3.81, residual support = 67.8: O HB2 TRP 49 - HN TRP 49 20.000% * 94.0135% (0.97 10.0 4.01 72.15) = 94.014% kept HA ALA 84 - HN TRP 49 20.000% * 3.9769% (0.99 1.0 0.83 0.02) = 3.977% kept HA THR 118 - HN TRP 49 20.000% * 1.5384% (1.00 1.0 0.32 0.86) = 1.538% kept HA ILE 119 - HN TRP 49 20.000% * 0.3884% (0.92 1.0 0.09 0.02) = 0.388% HA2 GLY 109 - HN TRP 49 20.000% * 0.0827% (0.85 1.0 0.02 0.02) = 0.083% Peak 1001 (0.37, 11.10, 134.86 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 1.67, residual support = 5.1: QB ALA 47 - HE1 TRP 49 33.333% * 55.5877% (1.00 1.98 7.56) = 55.588% kept QG1 VAL 42 - HE1 TRP 49 33.333% * 38.5802% (0.95 1.44 2.26) = 38.580% kept HG2 LYS+ 112 - HE1 TRP 49 33.333% * 5.8320% (0.58 0.35 0.50) = 5.832% kept Peak 1002 (0.37, 6.63, 116.57 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 2.57, residual support = 5.85: QB ALA 47 - HN TRP 49 33.333% * 68.7694% (1.00 3.17 7.56) = 68.769% kept QG1 VAL 42 - HN TRP 49 33.333% * 28.0370% (0.95 1.35 2.26) = 28.037% kept HG2 LYS+ 112 - HN TRP 49 33.333% * 3.1937% (0.58 0.25 0.50) = 3.194% kept Peak 1003 (3.82, 7.01, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.623, support = 0.498, residual support = 0.323: HA GLU- 100 - HN ALA 47 16.667% * 76.3895% (0.58 0.63 0.42) = 76.390% kept HB2 CYS 53 - HN ALA 47 16.667% * 15.3627% (0.85 0.09 0.02) = 15.363% kept HD2 PRO 58 - HN ALA 47 16.667% * 3.0103% (0.73 0.02 0.02) = 3.010% kept HA VAL 83 - HN ALA 47 16.667% * 2.6149% (0.63 0.02 0.02) = 2.615% kept HA GLN 30 - HN ALA 47 16.667% * 1.4700% (0.35 0.02 0.02) = 1.470% kept HD3 PRO 52 - HN ALA 47 16.667% * 1.1526% (0.28 0.02 0.02) = 1.153% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1004 (2.28, 8.78, 123.55 ppm): 7 chemical-shift based assignments, quality = 0.808, support = 3.03, residual support = 35.5: O HB2 ASP- 44 - HN ASP- 44 14.286% * 97.3041% (0.81 10.0 3.10 36.51) = 97.304% kept HB3 PHE 72 - HN ASP- 44 14.286% * 2.2965% (0.68 1.0 0.57 0.02) = 2.296% kept QG GLU- 15 - HN ASP- 44 14.286% * 0.1102% (0.92 1.0 0.02 0.02) = 0.110% QB MET 11 - HN ASP- 44 14.286% * 0.1021% (0.85 1.0 0.02 0.02) = 0.102% QG GLU- 14 - HN ASP- 44 14.286% * 0.0922% (0.77 1.0 0.02 0.02) = 0.092% QG GLN 90 - HN ASP- 44 14.286% * 0.0695% (0.58 1.0 0.02 0.02) = 0.070% HG12 ILE 119 - HN ASP- 44 14.286% * 0.0254% (0.21 1.0 0.02 0.02) = 0.025% Peak 1005 (1.70, 8.78, 123.55 ppm): 9 chemical-shift based assignments, quality = 0.741, support = 1.46, residual support = 2.24: HB2 LEU 73 - HN ASP- 44 11.111% * 66.3243% (0.81 1.95 2.50) = 66.324% kept HB3 MET 92 - HN ASP- 44 11.111% * 19.7768% (0.63 0.75 2.85) = 19.777% kept QD LYS+ 106 - HN ASP- 44 11.111% * 5.5061% (0.97 0.14 0.02) = 5.506% kept HD2 LYS+ 111 - HN ASP- 44 11.111% * 3.7057% (0.49 0.18 0.33) = 3.706% kept HG3 PRO 93 - HN ASP- 44 11.111% * 2.4175% (0.18 0.31 0.02) = 2.417% kept QD LYS+ 99 - HN ASP- 44 11.111% * 0.8254% (0.99 0.02 0.02) = 0.825% HB2 LEU 123 - HN ASP- 44 11.111% * 0.7407% (0.21 0.08 0.02) = 0.741% QG1 ILE 56 - HN ASP- 44 11.111% * 0.4070% (0.49 0.02 0.02) = 0.407% HB3 LYS+ 99 - HN ASP- 44 11.111% * 0.2965% (0.35 0.02 0.02) = 0.296% Peak 1006 (1.51, 8.78, 123.55 ppm): 9 chemical-shift based assignments, quality = 0.624, support = 0.486, residual support = 0.527: HB2 LYS+ 74 - HN ASP- 44 11.111% * 30.9939% (0.53 0.75 1.21) = 30.994% kept QD LYS+ 66 - HN ASP- 44 11.111% * 21.1212% (0.85 0.32 0.02) = 21.121% kept HG2 LYS+ 65 - HN ASP- 44 11.111% * 14.0927% (0.92 0.20 0.02) = 14.093% kept HB3 LYS+ 111 - HN ASP- 44 11.111% * 10.6581% (0.18 0.75 0.33) = 10.658% kept HD3 LYS+ 74 - HN ASP- 44 11.111% * 9.0045% (0.16 0.74 1.21) = 9.004% kept HD2 LYS+ 121 - HN ASP- 44 11.111% * 6.2567% (0.97 0.08 0.02) = 6.257% kept QG2 THR 26 - HN ASP- 44 11.111% * 5.6531% (0.85 0.09 0.02) = 5.653% kept HB3 LYS+ 121 - HN ASP- 44 11.111% * 1.7904% (0.28 0.08 0.02) = 1.790% kept HG LEU 104 - HN ASP- 44 11.111% * 0.4295% (0.28 0.02 0.02) = 0.429% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1007 (1.35, 8.78, 123.55 ppm): 12 chemical-shift based assignments, quality = 0.96, support = 3.53, residual support = 32.6: O HB3 ASP- 44 - HN ASP- 44 8.333% * 89.1933% (0.99 10.0 3.83 36.51) = 89.193% kept QB ALA 84 - HN ASP- 44 8.333% * 4.3606% (0.81 1.0 1.18 0.02) = 4.361% kept HB3 PRO 93 - HN ASP- 44 8.333% * 4.1745% (0.77 1.0 1.20 0.02) = 4.174% kept HB2 LEU 31 - HN ASP- 44 8.333% * 1.8431% (0.63 1.0 0.65 0.25) = 1.843% kept QB ALA 124 - HN ASP- 44 8.333% * 0.0892% (0.99 1.0 0.02 0.02) = 0.089% HB2 LEU 63 - HN ASP- 44 8.333% * 0.0834% (0.92 1.0 0.02 0.02) = 0.083% HG LEU 98 - HN ASP- 44 8.333% * 0.0834% (0.92 1.0 0.02 0.02) = 0.083% HB3 LEU 80 - HN ASP- 44 8.333% * 0.0736% (0.81 1.0 0.02 0.02) = 0.074% HG2 LYS+ 111 - HN ASP- 44 8.333% * 0.0483% (0.53 1.0 0.02 0.33) = 0.048% HG2 LYS+ 99 - HN ASP- 44 8.333% * 0.0220% (0.24 1.0 0.02 0.02) = 0.022% HG2 LYS+ 38 - HN ASP- 44 8.333% * 0.0143% (0.16 1.0 0.02 0.02) = 0.014% HG3 LYS+ 106 - HN ASP- 44 8.333% * 0.0143% (0.16 1.0 0.02 0.02) = 0.014% Peak 1008 (0.75, 8.78, 123.55 ppm): 6 chemical-shift based assignments, quality = 0.839, support = 3.93, residual support = 11.1: QG1 VAL 43 - HN ASP- 44 16.667% * 85.3977% (0.85 4.55 13.01) = 85.398% kept QG2 THR 46 - HN ASP- 44 16.667% * 6.6315% (0.99 0.31 0.02) = 6.631% kept QG1 VAL 41 - HN ASP- 44 16.667% * 5.7379% (0.63 0.41 0.02) = 5.738% kept QD2 LEU 104 - HN ASP- 44 16.667% * 1.4977% (0.49 0.14 0.02) = 1.498% kept QG2 VAL 18 - HN ASP- 44 16.667% * 0.4373% (1.00 0.02 0.02) = 0.437% QD1 ILE 19 - HN ASP- 44 16.667% * 0.2979% (0.68 0.02 0.02) = 0.298% Peak 1009 (0.06, 8.78, 123.55 ppm): 3 chemical-shift based assignments, quality = 0.534, support = 2.98, residual support = 8.89: QG2 VAL 43 - HN ASP- 44 33.333% * 67.7631% (0.53 3.84 13.01) = 67.763% kept QD2 LEU 31 - HN ASP- 44 33.333% * 22.7305% (0.68 1.01 0.25) = 22.731% kept QG2 VAL 83 - HN ASP- 44 33.333% * 9.5063% (0.18 1.56 0.15) = 9.506% kept Peak 1010 (4.84, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.415, support = 0.468, residual support = 0.311: HA PHE 45 - HN VAL 43 33.333% * 75.4068% (0.40 0.57 0.41) = 75.407% kept HA ASP- 78 - HN VAL 43 33.333% * 23.3761% (0.49 0.15 0.02) = 23.376% kept HA THR 23 - HN VAL 43 33.333% * 1.2172% (0.18 0.02 0.02) = 1.217% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1011 (5.33, 9.16, 125.94 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 1.5, residual support = 10.3: HA MET 96 - HN VAL 43 100.000% *100.0000% (0.40 1.50 10.33) = 100.000% kept Peak 1012 (2.21, 9.16, 125.94 ppm): 7 chemical-shift based assignments, quality = 0.889, support = 2.28, residual support = 9.55: HB2 MET 96 - HN VAL 43 14.286% * 92.4081% (0.95 2.44 10.33) = 92.408% kept HB2 ASP- 105 - HN VAL 43 14.286% * 4.1379% (0.16 0.65 0.02) = 4.138% kept HB3 ASP- 76 - HN VAL 43 14.286% * 1.2989% (0.35 0.09 0.02) = 1.299% kept HB VAL 70 - HN VAL 43 14.286% * 0.6828% (0.85 0.02 0.02) = 0.683% QG GLN 17 - HN VAL 43 14.286% * 0.6163% (0.77 0.02 0.02) = 0.616% HB2 GLU- 25 - HN VAL 43 14.286% * 0.5038% (0.63 0.02 0.02) = 0.504% HG2 GLU- 100 - HN VAL 43 14.286% * 0.3521% (0.44 0.02 0.02) = 0.352% Peak 1013 (1.76, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.813, support = 3.98, residual support = 52.0: O HB VAL 43 - HN VAL 43 33.333% * 99.8279% (0.81 10.0 3.99 52.10) = 99.828% kept QD LYS+ 81 - HN VAL 43 33.333% * 0.0890% (0.73 1.0 0.02 0.02) = 0.089% HB2 LYS+ 99 - HN VAL 43 33.333% * 0.0832% (0.68 1.0 0.02 0.02) = 0.083% Peak 1014 (1.37, 9.16, 125.94 ppm): 12 chemical-shift based assignments, quality = 0.795, support = 3.88, residual support = 20.8: HB VAL 42 - HN VAL 43 8.333% * 67.3027% (0.77 5.34 30.05) = 67.303% kept HB3 LEU 73 - HN VAL 43 8.333% * 16.1859% (0.85 1.16 2.21) = 16.186% kept HG3 LYS+ 106 - HN VAL 43 8.333% * 12.6288% (1.00 0.78 1.87) = 12.629% kept QB ALA 84 - HN VAL 43 8.333% * 2.3564% (0.49 0.30 0.02) = 2.356% kept HB2 LYS+ 112 - HN VAL 43 8.333% * 0.3106% (0.95 0.02 0.02) = 0.311% HG3 LYS+ 102 - HN VAL 43 8.333% * 0.2914% (0.89 0.02 0.02) = 0.291% HG3 LYS+ 65 - HN VAL 43 8.333% * 0.2523% (0.77 0.02 0.02) = 0.252% HG3 LYS+ 33 - HN VAL 43 8.333% * 0.2220% (0.68 0.02 0.02) = 0.222% HB3 PRO 93 - HN VAL 43 8.333% * 0.1746% (0.53 0.02 0.02) = 0.175% HG LEU 98 - HN VAL 43 8.333% * 0.1159% (0.35 0.02 0.02) = 0.116% QB ALA 12 - HN VAL 43 8.333% * 0.0797% (0.24 0.02 0.02) = 0.080% QB ALA 124 - HN VAL 43 8.333% * 0.0797% (0.24 0.02 0.02) = 0.080% Peak 1015 (0.75, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 3.64, residual support = 33.4: QG1 VAL 43 - HN VAL 43 16.667% * 63.3092% (0.85 4.78 52.10) = 63.309% kept QG1 VAL 41 - HN VAL 43 16.667% * 22.8156% (0.63 2.34 1.59) = 22.816% kept QG2 THR 46 - HN VAL 43 16.667% * 8.6424% (0.99 0.57 0.02) = 8.642% kept QD2 LEU 104 - HN VAL 43 16.667% * 4.7140% (0.49 0.63 0.27) = 4.714% kept QG2 VAL 18 - HN VAL 43 16.667% * 0.3086% (1.00 0.02 0.02) = 0.309% QD1 ILE 19 - HN VAL 43 16.667% * 0.2102% (0.68 0.02 0.02) = 0.210% Peak 1016 (0.56, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.638, support = 1.62, residual support = 1.33: QG2 VAL 41 - HN VAL 43 16.667% * 72.5014% (0.63 2.12 1.59) = 72.501% kept QD2 LEU 63 - HN VAL 43 16.667% * 14.7079% (0.97 0.28 0.02) = 14.708% kept QD1 LEU 73 - HN VAL 43 16.667% * 7.6507% (0.31 0.45 2.21) = 7.651% kept QD1 LEU 63 - HN VAL 43 16.667% * 4.2809% (0.31 0.25 0.02) = 4.281% kept QD2 LEU 98 - HN VAL 43 16.667% * 0.4296% (0.40 0.02 0.02) = 0.430% QD1 LEU 80 - HN VAL 43 16.667% * 0.4296% (0.40 0.02 0.02) = 0.430% Peak 1017 (0.37, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.937, support = 4.17, residual support = 27.0: QG1 VAL 42 - HN VAL 43 33.333% * 89.7980% (0.95 4.61 30.05) = 89.798% kept QB ALA 47 - HN VAL 43 33.333% * 5.9840% (1.00 0.29 0.02) = 5.984% kept HG2 LYS+ 112 - HN VAL 43 33.333% * 4.2180% (0.58 0.35 0.02) = 4.218% kept Peak 1018 (0.08, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.724, support = 0.0968, residual support = 0.62: QD2 LEU 31 - HN VAL 43 33.333% * 69.0567% (0.63 0.13 0.89) = 69.057% kept QG2 VAL 83 - HN VAL 43 33.333% * 16.6822% (1.00 0.02 0.02) = 16.682% kept QD1 ILE 89 - HN VAL 43 33.333% * 14.2612% (0.85 0.02 0.02) = 14.261% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1019 (1.83, 8.95, 126.35 ppm): 7 chemical-shift based assignments, quality = 0.935, support = 5.44, residual support = 17.1: HB VAL 41 - HN VAL 42 14.286% * 98.4488% (0.95 5.52 17.35) = 98.449% kept HG12 ILE 103 - HN VAL 42 14.286% * 0.3752% (1.00 0.02 0.02) = 0.375% HG LEU 123 - HN VAL 42 14.286% * 0.3207% (0.85 0.02 0.02) = 0.321% HB3 PRO 52 - HN VAL 42 14.286% * 0.3207% (0.85 0.02 0.02) = 0.321% QB LYS+ 66 - HN VAL 42 14.286% * 0.2895% (0.77 0.02 0.02) = 0.290% HG2 PRO 93 - HN VAL 42 14.286% * 0.1654% (0.44 0.02 0.02) = 0.165% QB LYS+ 102 - HN VAL 42 14.286% * 0.0797% (0.21 0.02 0.02) = 0.080% Peak 1020 (1.38, 8.95, 126.35 ppm): 11 chemical-shift based assignments, quality = 0.955, support = 5.08, residual support = 66.1: O HB VAL 42 - HN VAL 42 9.091% * 95.4170% (0.97 10.0 5.31 69.25) = 95.417% kept HB3 LEU 73 - HN VAL 42 9.091% * 2.4975% (0.92 1.0 0.55 1.44) = 2.498% kept QB LEU 98 - HN VAL 42 9.091% * 1.0218% (0.44 1.0 0.47 0.11) = 1.022% kept HB2 LYS+ 112 - HN VAL 42 9.091% * 0.6068% (0.81 1.0 0.15 0.02) = 0.607% HG3 LYS+ 33 - HN VAL 42 9.091% * 0.0979% (1.00 1.0 0.02 0.02) = 0.098% HG3 LYS+ 65 - HN VAL 42 9.091% * 0.0954% (0.97 1.0 0.02 0.02) = 0.095% HG3 LYS+ 102 - HN VAL 42 9.091% * 0.0875% (0.89 1.0 0.02 0.02) = 0.088% QB ALA 12 - HN VAL 42 9.091% * 0.0758% (0.77 1.0 0.02 0.02) = 0.076% HG3 LYS+ 106 - HN VAL 42 9.091% * 0.0667% (0.68 1.0 0.02 1.06) = 0.067% HB3 LYS+ 74 - HN VAL 42 9.091% * 0.0181% (0.18 1.0 0.02 0.02) = 0.018% HD3 LYS+ 121 - HN VAL 42 9.091% * 0.0155% (0.16 1.0 0.02 0.02) = 0.016% Peak 1021 (0.91, 8.95, 126.35 ppm): 3 chemical-shift based assignments, quality = 0.898, support = 0.692, residual support = 0.715: QD1 LEU 40 - HN VAL 42 33.333% * 84.4853% (0.97 0.79 0.84) = 84.485% kept QG1 VAL 108 - HN VAL 42 33.333% * 9.4665% (0.35 0.24 0.02) = 9.467% kept QD2 LEU 67 - HN VAL 42 33.333% * 6.0482% (0.73 0.08 0.02) = 6.048% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1022 (0.75, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.775, support = 4.05, residual support = 19.7: QG1 VAL 43 - HN VAL 42 16.667% * 43.1149% (0.85 4.32 30.05) = 43.115% kept QG1 VAL 41 - HN VAL 42 16.667% * 38.6782% (0.63 5.25 17.35) = 38.678% kept QG2 THR 46 - HN VAL 42 16.667% * 13.1495% (0.99 1.14 0.26) = 13.149% kept QD1 ILE 19 - HN VAL 42 16.667% * 3.1765% (0.68 0.40 0.02) = 3.177% kept QG2 VAL 18 - HN VAL 42 16.667% * 1.0831% (1.00 0.09 0.02) = 1.083% kept QD2 LEU 104 - HN VAL 42 16.667% * 0.7978% (0.49 0.14 0.02) = 0.798% Peak 1023 (0.56, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.631, support = 4.78, residual support = 16.0: QG2 VAL 41 - HN VAL 42 16.667% * 92.3746% (0.63 5.17 17.35) = 92.375% kept QD2 LEU 63 - HN VAL 42 16.667% * 3.7042% (0.97 0.13 0.02) = 3.704% kept QD1 LEU 63 - HN VAL 42 16.667% * 1.3376% (0.31 0.15 0.02) = 1.338% kept QD1 LEU 73 - HN VAL 42 16.667% * 1.2667% (0.31 0.14 1.44) = 1.267% kept QD2 LEU 98 - HN VAL 42 16.667% * 1.0920% (0.40 0.10 0.11) = 1.092% kept QD1 LEU 80 - HN VAL 42 16.667% * 0.2249% (0.40 0.02 0.02) = 0.225% Peak 1024 (0.36, 8.95, 126.35 ppm): 3 chemical-shift based assignments, quality = 0.801, support = 4.55, residual support = 63.7: QG1 VAL 42 - HN VAL 42 33.333% * 91.9865% (0.81 4.91 69.25) = 91.987% kept QB ALA 47 - HN VAL 42 33.333% * 7.5548% (0.68 0.48 0.44) = 7.555% kept HG2 LYS+ 112 - HN VAL 42 33.333% * 0.4587% (1.00 0.02 0.02) = 0.459% Peak 1025 (0.15, 8.95, 126.35 ppm): 2 chemical-shift based assignments, quality = 0.483, support = 4.64, residual support = 67.8: QG2 VAL 42 - HN VAL 42 50.000% * 97.9206% (0.49 4.74 69.25) = 97.921% kept QG2 VAL 75 - HN VAL 42 50.000% * 2.0794% (0.31 0.16 0.11) = 2.079% kept Peak 1026 (1.82, 9.02, 128.16 ppm): 9 chemical-shift based assignments, quality = 0.842, support = 4.05, residual support = 51.6: O HB VAL 41 - HN VAL 41 11.111% * 94.8966% (0.85 10.0 4.24 54.33) = 94.897% kept QB LYS+ 66 - HN VAL 41 11.111% * 1.8838% (0.99 1.0 0.34 0.54) = 1.884% kept HG LEU 123 - HN VAL 41 11.111% * 1.4761% (0.35 1.0 0.75 0.52) = 1.476% kept HB2 LEU 71 - HN VAL 41 11.111% * 1.3916% (0.49 1.0 0.52 1.17) = 1.392% kept HG2 PRO 93 - HN VAL 41 11.111% * 0.1025% (0.92 1.0 0.02 0.02) = 0.102% QB LYS+ 102 - HN VAL 41 11.111% * 0.0754% (0.68 1.0 0.02 0.02) = 0.075% HG12 ILE 103 - HN VAL 41 11.111% * 0.0754% (0.68 1.0 0.02 0.02) = 0.075% QB LYS+ 65 - HN VAL 41 11.111% * 0.0593% (0.53 1.0 0.02 0.02) = 0.059% HB3 PRO 52 - HN VAL 41 11.111% * 0.0394% (0.35 1.0 0.02 0.02) = 0.039% Peak 1027 (1.43, 9.02, 128.16 ppm): 11 chemical-shift based assignments, quality = 0.721, support = 0.412, residual support = 0.385: HG LEU 80 - HN VAL 41 9.091% * 30.1862% (0.95 0.39 0.58) = 30.186% kept HB2 LEU 80 - HN VAL 41 9.091% * 23.0724% (0.35 0.81 0.58) = 23.072% kept HB3 LEU 67 - HN VAL 41 9.091% * 22.3884% (0.92 0.30 0.02) = 22.388% kept QG LYS+ 66 - HN VAL 41 9.091% * 11.0677% (0.73 0.19 0.54) = 11.068% kept HB3 LYS+ 74 - HN VAL 41 9.091% * 4.8730% (0.18 0.33 0.02) = 4.873% kept HG LEU 73 - HN VAL 41 9.091% * 3.0192% (0.49 0.08 0.02) = 3.019% kept QB ALA 61 - HN VAL 41 9.091% * 1.6086% (1.00 0.02 0.76) = 1.609% kept QB ALA 110 - HN VAL 41 9.091% * 1.4897% (0.92 0.02 0.02) = 1.490% kept HG12 ILE 19 - HN VAL 41 9.091% * 1.3796% (0.85 0.02 0.02) = 1.380% kept HG2 LYS+ 102 - HN VAL 41 9.091% * 0.5722% (0.35 0.02 0.02) = 0.572% HD3 LYS+ 121 - HN VAL 41 9.091% * 0.3429% (0.21 0.02 0.02) = 0.343% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1028 (1.28, 9.02, 128.16 ppm): 6 chemical-shift based assignments, quality = 0.812, support = 0.784, residual support = 1.06: QG2 THR 23 - HN VAL 41 16.667% * 44.3031% (0.99 0.79 0.83) = 44.303% kept QB ALA 34 - HN VAL 41 16.667% * 39.2034% (0.85 0.81 1.71) = 39.203% kept QG2 THR 39 - HN VAL 41 16.667% * 9.3055% (0.16 1.04 0.16) = 9.305% kept HG3 LYS+ 38 - HN VAL 41 16.667% * 6.2958% (0.40 0.28 0.02) = 6.296% kept QG2 ILE 56 - HN VAL 41 16.667% * 0.7132% (0.63 0.02 0.02) = 0.713% QB ALA 91 - HN VAL 41 16.667% * 0.1790% (0.16 0.02 0.02) = 0.179% Peak 1029 (0.98, 9.02, 128.16 ppm): 8 chemical-shift based assignments, quality = 0.87, support = 2.13, residual support = 7.08: QD2 LEU 40 - HN VAL 41 12.500% * 76.2061% (0.89 2.71 9.26) = 76.206% kept HG3 LYS+ 74 - HN VAL 41 12.500% * 9.1097% (1.00 0.29 0.02) = 9.110% kept QD1 LEU 67 - HN VAL 41 12.500% * 8.6331% (0.92 0.30 0.02) = 8.633% kept QD2 LEU 71 - HN VAL 41 12.500% * 2.0188% (0.53 0.12 1.17) = 2.019% kept HB VAL 75 - HN VAL 41 12.500% * 1.8519% (0.21 0.28 0.02) = 1.852% kept QD1 ILE 103 - HN VAL 41 12.500% * 1.4243% (0.40 0.11 0.02) = 1.424% kept QG2 ILE 103 - HN VAL 41 12.500% * 0.6223% (0.99 0.02 0.02) = 0.622% QG2 ILE 119 - HN VAL 41 12.500% * 0.1339% (0.21 0.02 0.02) = 0.134% Peak 1030 (0.76, 9.02, 128.16 ppm): 7 chemical-shift based assignments, quality = 0.944, support = 3.53, residual support = 46.2: QG1 VAL 41 - HN VAL 41 14.286% * 84.9494% (1.00 4.10 54.33) = 84.949% kept QG1 VAL 43 - HN VAL 41 14.286% * 5.8830% (0.92 0.31 1.59) = 5.883% kept QG2 THR 46 - HN VAL 41 14.286% * 4.3144% (0.53 0.39 0.02) = 4.314% kept QD2 LEU 73 - HN VAL 41 14.286% * 2.2582% (0.31 0.35 0.02) = 2.258% kept QD1 ILE 19 - HN VAL 41 14.286% * 1.2801% (0.18 0.34 0.02) = 1.280% kept QG2 VAL 18 - HN VAL 41 14.286% * 1.1133% (0.68 0.08 0.02) = 1.113% kept HG LEU 31 - HN VAL 41 14.286% * 0.2017% (0.49 0.02 0.02) = 0.202% Peak 1031 (0.56, 9.02, 128.16 ppm): 6 chemical-shift based assignments, quality = 0.563, support = 3.14, residual support = 42.1: QG2 VAL 41 - HN VAL 41 16.667% * 73.8715% (0.63 3.96 54.33) = 73.871% kept QD2 LEU 98 - HN VAL 41 16.667% * 12.7393% (0.40 1.09 14.79) = 12.739% kept QD1 LEU 80 - HN VAL 41 16.667% * 7.6809% (0.40 0.65 0.58) = 7.681% kept QD1 LEU 73 - HN VAL 41 16.667% * 4.9468% (0.31 0.53 0.02) = 4.947% kept QD2 LEU 63 - HN VAL 41 16.667% * 0.5751% (0.97 0.02 0.02) = 0.575% QD1 LEU 63 - HN VAL 41 16.667% * 0.1864% (0.31 0.02 0.02) = 0.186% Peak 1032 (0.21, 9.02, 128.16 ppm): 1 chemical-shift based assignment, quality = 0.244, support = 0.02, residual support = 0.02: QG2 THR 118 - HN VAL 41 100.000% *100.0000% (0.24 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1033 (4.04, 8.88, 128.13 ppm): 4 chemical-shift based assignments, quality = 0.802, support = 0.926, residual support = 4.47: HB2 SER 37 - HN LEU 40 25.000% * 48.1285% (0.89 0.91 0.12) = 48.129% kept HA1 GLY 16 - HN LEU 40 25.000% * 35.7699% (0.97 0.62 0.30) = 35.770% kept HA VAL 70 - HN LEU 40 25.000% * 15.9129% (0.16 1.69 27.04) = 15.913% kept HA GLN 116 - HN LEU 40 25.000% * 0.1887% (0.16 0.02 0.02) = 0.189% Peak 1034 (3.84, 8.88, 128.13 ppm): 8 chemical-shift based assignments, quality = 0.287, support = 3.66, residual support = 18.6: HB THR 39 - HN LEU 40 12.500% * 86.5652% (0.28 4.16 21.52) = 86.565% kept HB3 SER 37 - HN LEU 40 12.500% * 8.2105% (0.16 0.69 0.12) = 8.211% kept HD3 PRO 52 - HN LEU 40 12.500% * 1.4553% (0.97 0.02 0.02) = 1.455% kept HA GLN 30 - HN LEU 40 12.500% * 1.3827% (0.92 0.02 0.23) = 1.383% kept HB3 SER 82 - HN LEU 40 12.500% * 1.0170% (0.68 0.02 0.02) = 1.017% kept HB2 CYS 53 - HN LEU 40 12.500% * 0.6602% (0.44 0.02 0.02) = 0.660% QB SER 13 - HN LEU 40 12.500% * 0.4718% (0.31 0.02 0.02) = 0.472% HA ILE 89 - HN LEU 40 12.500% * 0.2371% (0.16 0.02 0.02) = 0.237% Peak 1035 (2.99, 8.88, 128.13 ppm): 6 chemical-shift based assignments, quality = 0.34, support = 0.827, residual support = 2.47: QE LYS+ 38 - HN LEU 40 16.667% * 50.0092% (0.18 1.37 1.47) = 50.009% kept QE LYS+ 99 - HN LEU 40 16.667% * 34.3353% (0.44 0.39 4.82) = 34.335% kept HB3 PHE 60 - HN LEU 40 16.667% * 6.2477% (0.24 0.13 0.02) = 6.248% kept HB3 TRP 27 - HN LEU 40 16.667% * 3.8691% (0.97 0.02 0.02) = 3.869% kept HB2 PHE 97 - HN LEU 40 16.667% * 3.7834% (0.95 0.02 2.11) = 3.783% kept QE LYS+ 106 - HN LEU 40 16.667% * 1.7553% (0.44 0.02 0.02) = 1.755% kept Peak 1036 (1.93, 8.88, 128.13 ppm): 5 chemical-shift based assignments, quality = 0.948, support = 4.56, residual support = 80.7: O HB2 LEU 40 - HN LEU 40 20.000% * 99.7841% (0.95 10.0 4.57 80.87) = 99.784% kept HB3 MET 96 - HN LEU 40 20.000% * 0.0936% (0.89 1.0 0.02 0.53) = 0.094% HB3 GLU- 14 - HN LEU 40 20.000% * 0.0561% (0.53 1.0 0.02 0.02) = 0.056% HG3 MET 11 - HN LEU 40 20.000% * 0.0331% (0.31 1.0 0.02 0.02) = 0.033% HB3 ARG+ 54 - HN LEU 40 20.000% * 0.0331% (0.31 1.0 0.02 0.02) = 0.033% Peak 1037 (1.46, 8.88, 128.13 ppm): 9 chemical-shift based assignments, quality = 0.611, support = 4.6, residual support = 79.6: O HB3 LEU 40 - HN LEU 40 11.111% * 66.9598% (0.49 10.0 4.45 80.87) = 66.960% kept HG LEU 40 - HN LEU 40 11.111% * 31.4420% (0.89 1.0 5.13 80.87) = 31.442% kept HG2 LYS+ 102 - HN LEU 40 11.111% * 1.0645% (0.44 1.0 0.35 0.02) = 1.065% kept HG LEU 67 - HN LEU 40 11.111% * 0.1337% (0.97 1.0 0.02 0.02) = 0.134% HB3 LEU 115 - HN LEU 40 11.111% * 0.1226% (0.89 1.0 0.02 0.02) = 0.123% QB ALA 120 - HN LEU 40 11.111% * 0.1062% (0.77 1.0 0.02 0.02) = 0.106% HG LEU 115 - HN LEU 40 11.111% * 0.1062% (0.77 1.0 0.02 0.02) = 0.106% HG LEU 73 - HN LEU 40 11.111% * 0.0433% (0.31 1.0 0.02 0.02) = 0.043% QG LYS+ 66 - HN LEU 40 11.111% * 0.0218% (0.16 1.0 0.02 0.17) = 0.022% Peak 1038 (1.28, 8.88, 128.13 ppm): 6 chemical-shift based assignments, quality = 0.578, support = 1.92, residual support = 5.29: QB ALA 34 - HN LEU 40 16.667% * 32.8099% (0.85 1.10 0.32) = 32.810% kept HG3 LYS+ 38 - HN LEU 40 16.667% * 29.5760% (0.40 2.13 1.47) = 29.576% kept QG2 THR 39 - HN LEU 40 16.667% * 22.0165% (0.16 3.98 21.52) = 22.016% kept QG2 THR 23 - HN LEU 40 16.667% * 13.5101% (0.99 0.39 0.02) = 13.510% kept QG2 ILE 56 - HN LEU 40 16.667% * 1.9769% (0.63 0.09 0.63) = 1.977% kept QB ALA 91 - HN LEU 40 16.667% * 0.1106% (0.16 0.02 0.02) = 0.111% Peak 1039 (0.85, 8.88, 128.13 ppm): 5 chemical-shift based assignments, quality = 0.84, support = 1.14, residual support = 12.7: QG1 VAL 70 - HN LEU 40 20.000% * 45.6236% (0.77 1.48 27.04) = 45.624% kept QD1 LEU 71 - HN LEU 40 20.000% * 40.7818% (0.97 1.05 0.84) = 40.782% kept QG1 VAL 18 - HN LEU 40 20.000% * 8.7472% (0.63 0.35 0.02) = 8.747% kept HB3 LEU 104 - HN LEU 40 20.000% * 4.0688% (0.89 0.11 0.02) = 4.069% kept QD1 LEU 123 - HN LEU 40 20.000% * 0.7786% (0.97 0.02 0.52) = 0.779% Peak 1040 (0.97, 8.88, 128.13 ppm): 7 chemical-shift based assignments, quality = 0.62, support = 2.85, residual support = 43.6: QD2 LEU 40 - HN LEU 40 14.286% * 53.5929% (0.40 4.51 80.87) = 53.593% kept QD2 LEU 71 - HN LEU 40 14.286% * 34.0302% (0.97 1.17 0.84) = 34.030% kept QG2 ILE 103 - HN LEU 40 14.286% * 7.0293% (0.58 0.40 0.02) = 7.029% kept QD1 ILE 103 - HN LEU 40 14.286% * 2.0147% (0.89 0.08 0.02) = 2.015% kept HG3 LYS+ 74 - HN LEU 40 14.286% * 1.6716% (0.73 0.08 0.02) = 1.672% kept QD1 LEU 67 - HN LEU 40 14.286% * 1.2546% (0.44 0.10 0.02) = 1.255% kept QG2 ILE 119 - HN LEU 40 14.286% * 0.4066% (0.68 0.02 0.02) = 0.407% Peak 1041 (0.20, 8.88, 128.13 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 5.36, residual support = 27.0: QG2 VAL 70 - HN LEU 40 100.000% *100.0000% (0.44 5.36 27.04) = 100.000% kept Peak 1042 (4.11, 7.75, 114.55 ppm): 6 chemical-shift based assignments, quality = 0.74, support = 1.64, residual support = 0.674: HA GLU- 36 - HN THR 39 16.667% * 56.6114% (0.73 2.30 1.11) = 56.611% kept HA ARG+ 54 - HN THR 39 16.667% * 27.9536% (0.85 0.97 0.16) = 27.954% kept HA LYS+ 81 - HN THR 39 16.667% * 8.8386% (0.85 0.31 0.02) = 8.839% kept HA ASN 28 - HN THR 39 16.667% * 5.8091% (0.24 0.70 0.02) = 5.809% kept HA ALA 124 - HN THR 39 16.667% * 0.6435% (0.95 0.02 0.02) = 0.643% HA LEU 115 - HN THR 39 16.667% * 0.1439% (0.21 0.02 0.02) = 0.144% Peak 1043 (4.42, 7.75, 114.55 ppm): 8 chemical-shift based assignments, quality = 0.702, support = 2.61, residual support = 10.4: HA SER 37 - HN THR 39 12.500% * 55.9797% (0.85 2.47 2.58) = 55.980% kept HA LEU 40 - HN THR 39 12.500% * 41.7571% (0.53 2.94 21.52) = 41.757% kept HA THR 46 - HN THR 39 12.500% * 0.4904% (0.92 0.02 0.02) = 0.490% HA GLN 17 - HN THR 39 12.500% * 0.4542% (0.85 0.02 0.02) = 0.454% HA GLU- 15 - HN THR 39 12.500% * 0.4100% (0.77 0.02 0.02) = 0.410% HA SER 13 - HN THR 39 12.500% * 0.4100% (0.77 0.02 0.02) = 0.410% HA PRO 58 - HN THR 39 12.500% * 0.3858% (0.73 0.02 0.02) = 0.386% HA VAL 42 - HN THR 39 12.500% * 0.1129% (0.21 0.02 0.02) = 0.113% Peak 1044 (3.84, 7.75, 114.55 ppm): 8 chemical-shift based assignments, quality = 0.271, support = 3.04, residual support = 25.5: O HB THR 39 - HN THR 39 12.500% * 89.3671% (0.28 10.0 3.23 28.39) = 89.367% kept HB3 SER 37 - HN THR 39 12.500% * 6.0960% (0.16 1.0 2.40 2.58) = 6.096% kept HB2 CYS 53 - HN THR 39 12.500% * 2.8170% (0.44 1.0 0.40 0.02) = 2.817% kept HB3 SER 82 - HN THR 39 12.500% * 0.9589% (0.68 1.0 0.09 0.02) = 0.959% HD3 PRO 52 - HN THR 39 12.500% * 0.3123% (0.97 1.0 0.02 0.02) = 0.312% HA GLN 30 - HN THR 39 12.500% * 0.2967% (0.92 1.0 0.02 0.02) = 0.297% QB SER 13 - HN THR 39 12.500% * 0.1012% (0.31 1.0 0.02 0.02) = 0.101% HA ILE 89 - HN THR 39 12.500% * 0.0509% (0.16 1.0 0.02 0.02) = 0.051% Peak 1045 (1.27, 7.75, 114.55 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 4.24, residual support = 17.2: HG3 LYS+ 38 - HN THR 39 16.667% * 54.9326% (0.68 5.79 21.30) = 54.933% kept QB ALA 34 - HN THR 39 16.667% * 23.2132% (1.00 1.67 1.69) = 23.213% kept QG2 THR 39 - HN THR 39 16.667% * 18.1061% (0.35 3.66 28.39) = 18.106% kept QG2 THR 23 - HN THR 39 16.667% * 3.4001% (0.81 0.30 0.02) = 3.400% kept QG2 ILE 56 - HN THR 39 16.667% * 0.2489% (0.89 0.02 0.02) = 0.249% QB ALA 91 - HN THR 39 16.667% * 0.0990% (0.35 0.02 0.02) = 0.099% Peak 1046 (3.79, 7.88, 117.58 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 6.06, residual support = 192.0: O HA LYS+ 38 - HN LYS+ 38 20.000% * 99.8198% (0.73 10.0 6.07 192.34) = 99.820% kept HA GLU- 100 - HN LYS+ 38 20.000% * 0.0606% (0.44 1.0 0.02 0.30) = 0.061% HA VAL 83 - HN LYS+ 38 20.000% * 0.0545% (0.40 1.0 0.02 0.02) = 0.055% HD2 PRO 58 - HN LYS+ 38 20.000% * 0.0433% (0.31 1.0 0.02 0.02) = 0.043% HA VAL 24 - HN LYS+ 38 20.000% * 0.0218% (0.16 1.0 0.02 0.02) = 0.022% Peak 1047 (2.18, 7.88, 117.58 ppm): 6 chemical-shift based assignments, quality = 0.995, support = 5.78, residual support = 189.9: O HB2 LYS+ 38 - HN LYS+ 38 16.667% * 98.7315% (1.00 10.0 5.85 192.34) = 98.731% kept HG3 GLU- 29 - HN LYS+ 38 16.667% * 1.1741% (0.63 1.0 0.38 0.02) = 1.174% kept HB2 GLN 90 - HN LYS+ 38 16.667% * 0.0392% (0.40 1.0 0.02 0.02) = 0.039% HB2 GLU- 25 - HN LYS+ 38 16.667% * 0.0210% (0.21 1.0 0.02 0.02) = 0.021% HB3 GLU- 29 - HN LYS+ 38 16.667% * 0.0210% (0.21 1.0 0.02 0.02) = 0.021% QG GLN 17 - HN LYS+ 38 16.667% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% Peak 1048 (1.89, 7.88, 117.58 ppm): 8 chemical-shift based assignments, quality = 0.851, support = 5.08, residual support = 191.4: O HB3 LYS+ 38 - HN LYS+ 38 12.500% * 99.5296% (0.85 10.0 5.10 192.34) = 99.530% kept HB2 MET 92 - HN LYS+ 38 12.500% * 0.1149% (0.99 1.0 0.02 0.02) = 0.115% HB3 GLN 30 - HN LYS+ 38 12.500% * 0.1149% (0.99 1.0 0.02 0.02) = 0.115% HB3 PRO 58 - HN LYS+ 38 12.500% * 0.0995% (0.85 1.0 0.02 0.02) = 0.100% HB ILE 56 - HN LYS+ 38 12.500% * 0.0790% (0.68 1.0 0.02 0.02) = 0.079% QB LYS+ 106 - HN LYS+ 38 12.500% * 0.0247% (0.21 1.0 0.02 0.02) = 0.025% QB LYS+ 81 - HN LYS+ 38 12.500% * 0.0214% (0.18 1.0 0.02 0.02) = 0.021% HB3 GLN 90 - HN LYS+ 38 12.500% * 0.0158% (0.14 1.0 0.02 0.02) = 0.016% Peak 1049 (1.31, 7.88, 117.58 ppm): 5 chemical-shift based assignments, quality = 0.562, support = 5.19, residual support = 174.6: HG2 LYS+ 38 - HN LYS+ 38 20.000% * 90.7627% (0.53 5.69 192.34) = 90.763% kept QB ALA 88 - HN LYS+ 38 20.000% * 8.3546% (0.92 0.30 0.02) = 8.355% kept QG2 THR 77 - HN LYS+ 38 20.000% * 0.5513% (0.92 0.02 0.02) = 0.551% HG2 LYS+ 99 - HN LYS+ 38 20.000% * 0.2369% (0.40 0.02 0.73) = 0.237% HG2 LYS+ 111 - HN LYS+ 38 20.000% * 0.0945% (0.16 0.02 0.02) = 0.095% Peak 1051 (3.87, 7.91, 112.05 ppm): 6 chemical-shift based assignments, quality = 0.976, support = 3.15, residual support = 24.2: O HB3 SER 37 - HN SER 37 16.667% * 92.7173% (0.99 10.0 3.33 25.95) = 92.717% kept HB THR 39 - HN SER 37 16.667% * 5.3352% (0.99 1.0 1.15 2.58) = 5.335% kept HB THR 118 - HN SER 37 16.667% * 1.2286% (0.63 1.0 0.41 0.02) = 1.229% kept HA ILE 89 - HN SER 37 16.667% * 0.5640% (0.99 1.0 0.12 0.02) = 0.564% QB SER 13 - HN SER 37 16.667% * 0.0912% (0.97 1.0 0.02 0.02) = 0.091% HB3 SER 82 - HN SER 37 16.667% * 0.0638% (0.68 1.0 0.02 0.02) = 0.064% Peak 1052 (2.15, 7.91, 112.05 ppm): 5 chemical-shift based assignments, quality = 0.956, support = 3.42, residual support = 12.4: QB GLU- 36 - HN SER 37 20.000% * 92.1875% (1.00 3.69 13.43) = 92.188% kept HB2 GLN 90 - HN SER 37 20.000% * 4.1719% (0.58 0.29 0.02) = 4.172% kept HG3 GLU- 29 - HN SER 37 20.000% * 2.7391% (0.35 0.31 0.02) = 2.739% kept HB3 GLU- 79 - HN SER 37 20.000% * 0.4939% (0.99 0.02 0.02) = 0.494% HB3 GLU- 29 - HN SER 37 20.000% * 0.4076% (0.81 0.02 0.02) = 0.408% Peak 1053 (1.30, 7.91, 112.05 ppm): 5 chemical-shift based assignments, quality = 0.271, support = 4.44, residual support = 12.8: HG2 LYS+ 38 - HN SER 37 20.000% * 93.4850% (0.24 4.75 13.64) = 93.485% kept QB ALA 88 - HN SER 37 20.000% * 4.3211% (0.63 0.08 0.02) = 4.321% kept QG2 THR 77 - HN SER 37 20.000% * 1.5949% (0.99 0.02 0.02) = 1.595% kept QG2 THR 23 - HN SER 37 20.000% * 0.3433% (0.21 0.02 0.02) = 0.343% HG2 LYS+ 99 - HN SER 37 20.000% * 0.2557% (0.16 0.02 0.02) = 0.256% Peak 1054 (2.93, 7.76, 119.36 ppm): 6 chemical-shift based assignments, quality = 0.52, support = 5.35, residual support = 33.5: HB2 ASN 35 - HN GLU- 36 16.667% * 97.4274% (0.53 5.49 34.38) = 97.427% kept QE LYS+ 65 - HN GLU- 36 16.667% * 0.6626% (1.00 0.02 0.02) = 0.663% HB2 ASP- 86 - HN GLU- 36 16.667% * 0.6136% (0.92 0.02 0.02) = 0.614% HB2 ASN 28 - HN GLU- 36 16.667% * 0.6136% (0.92 0.02 0.02) = 0.614% QE LYS+ 33 - HN GLU- 36 16.667% * 0.5416% (0.81 0.02 0.02) = 0.542% HB2 ASP- 78 - HN GLU- 36 16.667% * 0.1412% (0.21 0.02 0.02) = 0.141% Peak 1055 (2.47, 7.76, 119.36 ppm): 3 chemical-shift based assignments, quality = 0.946, support = 4.57, residual support = 70.8: HG2 GLU- 36 - HN GLU- 36 33.333% * 99.5568% (0.95 4.59 71.08) = 99.557% kept HG3 MET 96 - HN GLU- 36 33.333% * 0.3318% (0.73 0.02 0.02) = 0.332% HB3 ASP- 62 - HN GLU- 36 33.333% * 0.1114% (0.24 0.02 0.02) = 0.111% Peak 1056 (2.14, 7.76, 119.36 ppm): 5 chemical-shift based assignments, quality = 0.84, support = 6.1, residual support = 64.8: O QB GLU- 36 - HN GLU- 36 20.000% * 91.1190% (0.85 10.0 6.58 71.08) = 91.119% kept HB3 GLU- 79 - HN GLU- 36 20.000% * 4.5304% (0.92 1.0 0.92 0.02) = 4.530% kept HB3 GLU- 29 - HN GLU- 36 20.000% * 3.9675% (0.49 1.0 1.53 0.12) = 3.967% kept HB2 GLN 90 - HN GLU- 36 20.000% * 0.3571% (0.28 1.0 0.24 0.02) = 0.357% HG3 GLU- 100 - HN GLU- 36 20.000% * 0.0260% (0.24 1.0 0.02 0.02) = 0.026% Peak 1057 (2.29, 7.76, 119.36 ppm): 8 chemical-shift based assignments, quality = 0.522, support = 4.48, residual support = 69.4: HG3 GLU- 36 - HN GLU- 36 12.500% * 97.6904% (0.53 4.59 71.08) = 97.690% kept QB MET 11 - HN GLU- 36 12.500% * 0.6818% (0.85 0.02 0.02) = 0.682% HG2 MET 92 - HN GLU- 36 12.500% * 0.4260% (0.53 0.02 0.02) = 0.426% QG GLU- 114 - HN GLU- 36 12.500% * 0.3516% (0.44 0.02 0.02) = 0.352% HB2 GLU- 79 - HN GLU- 36 12.500% * 0.2828% (0.35 0.02 0.02) = 0.283% QG GLU- 15 - HN GLU- 36 12.500% * 0.2512% (0.31 0.02 0.02) = 0.251% HB2 ASP- 44 - HN GLU- 36 12.500% * 0.1695% (0.21 0.02 0.02) = 0.169% QG GLU- 14 - HN GLU- 36 12.500% * 0.1468% (0.18 0.02 0.02) = 0.147% Peak 1058 (3.55, 6.53, 110.12 ppm): 2 chemical-shift based assignments, quality = 0.441, support = 0.02, residual support = 0.02: HD2 PRO 93 - HD22 ASN 35 50.000% * 50.0000% (0.44 0.02 0.02) = 50.000% kept HB2 TRP 27 - HD22 ASN 35 50.000% * 50.0000% (0.44 0.02 0.02) = 50.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1059 (2.94, 6.53, 110.12 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 3.39, residual support = 47.4: O HB2 ASN 35 - HD22 ASN 35 16.667% * 98.6081% (0.68 10.0 3.43 48.03) = 98.608% kept HB2 ASN 28 - HD22 ASN 35 16.667% * 0.9923% (0.81 1.0 0.17 0.02) = 0.992% HB2 ASP- 86 - HD22 ASN 35 16.667% * 0.1434% (0.99 1.0 0.02 0.02) = 0.143% QE LYS+ 65 - HD22 ASN 35 16.667% * 0.1380% (0.95 1.0 0.02 0.02) = 0.138% QE LYS+ 33 - HD22 ASN 35 16.667% * 0.0986% (0.68 1.0 0.02 1.15) = 0.099% HB2 ASP- 78 - HD22 ASN 35 16.667% * 0.0197% (0.14 1.0 0.02 0.02) = 0.020% Peak 1060 (3.99, 7.37, 110.13 ppm): 10 chemical-shift based assignments, quality = 0.776, support = 0.689, residual support = 0.715: HA GLU- 29 - HD21 ASN 35 10.000% * 23.4247% (0.77 1.01 2.14) = 23.425% kept HB2 SER 82 - HD21 ASN 35 10.000% * 19.9648% (0.89 0.74 0.24) = 19.965% kept HA ALA 88 - HD21 ASN 35 10.000% * 14.7193% (0.73 0.67 0.13) = 14.719% kept HA SER 48 - HD21 ASN 35 10.000% * 12.1787% (0.95 0.43 0.10) = 12.179% kept HA LYS+ 33 - HD21 ASN 35 10.000% * 11.4076% (0.58 0.65 1.15) = 11.408% kept HA GLN 32 - HD21 ASN 35 10.000% * 11.3118% (0.68 0.55 0.02) = 11.312% kept HA VAL 18 - HD21 ASN 35 10.000% * 6.4337% (0.81 0.26 0.02) = 6.434% kept HD2 PRO 52 - HD21 ASN 35 10.000% * 0.2656% (0.44 0.02 0.02) = 0.266% HA GLN 116 - HD21 ASN 35 10.000% * 0.1469% (0.24 0.02 0.02) = 0.147% HA VAL 70 - HD21 ASN 35 10.000% * 0.1469% (0.24 0.02 0.02) = 0.147% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1061 (2.93, 7.37, 110.13 ppm): 6 chemical-shift based assignments, quality = 0.5, support = 3.25, residual support = 45.1: O HB2 ASN 35 - HD21 ASN 35 16.667% * 93.6895% (0.49 10.0 3.43 48.03) = 93.690% kept QE LYS+ 33 - HD21 ASN 35 16.667% * 5.2301% (0.85 1.0 0.64 1.15) = 5.230% kept HB2 ASP- 86 - HD21 ASN 35 16.667% * 0.6580% (0.89 1.0 0.08 0.02) = 0.658% QE LYS+ 65 - HD21 ASN 35 16.667% * 0.1925% (1.00 1.0 0.02 0.02) = 0.192% HB2 ASN 28 - HD21 ASN 35 16.667% * 0.1829% (0.95 1.0 0.02 0.02) = 0.183% HB2 ASP- 78 - HD21 ASN 35 16.667% * 0.0469% (0.24 1.0 0.02 0.02) = 0.047% Peak 1062 (4.00, 8.06, 119.69 ppm): 10 chemical-shift based assignments, quality = 0.573, support = 3.96, residual support = 30.4: O HA GLN 32 - HN GLN 32 10.000% * 75.2574% (0.53 10.0 4.27 36.13) = 75.257% kept HA LYS+ 33 - HN GLN 32 10.000% * 19.0563% (0.73 1.0 3.72 16.64) = 19.056% kept HA GLU- 29 - HN GLN 32 10.000% * 2.9158% (0.89 1.0 0.46 0.02) = 2.916% kept HD2 PRO 52 - HN GLN 32 10.000% * 2.2011% (0.31 1.0 0.99 0.02) = 2.201% kept HB2 SER 82 - HN GLN 32 10.000% * 0.1369% (0.97 1.0 0.02 0.02) = 0.137% HA VAL 18 - HN GLN 32 10.000% * 0.1301% (0.92 1.0 0.02 0.02) = 0.130% HA SER 48 - HN GLN 32 10.000% * 0.1205% (0.85 1.0 0.02 0.02) = 0.120% HA ALA 88 - HN GLN 32 10.000% * 0.0820% (0.58 1.0 0.02 0.02) = 0.082% HA GLN 116 - HN GLN 32 10.000% * 0.0500% (0.35 1.0 0.02 0.02) = 0.050% HA VAL 70 - HN GLN 32 10.000% * 0.0500% (0.35 1.0 0.02 0.02) = 0.050% Peak 1063 (4.01, 7.95, 120.58 ppm): 7 chemical-shift based assignments, quality = 0.811, support = 5.18, residual support = 115.2: O HA LYS+ 33 - HN LYS+ 33 14.286% * 99.5049% (0.81 10.0 5.21 115.75) = 99.505% kept HA GLN 116 - HN LYS+ 33 14.286% * 0.1221% (1.00 1.0 0.02 0.02) = 0.122% HA VAL 70 - HN LYS+ 33 14.286% * 0.1221% (1.00 1.0 0.02 0.02) = 0.122% HA GLU- 29 - HN LYS+ 33 14.286% * 0.0770% (0.63 1.0 0.02 0.12) = 0.077% HA VAL 18 - HN LYS+ 33 14.286% * 0.0711% (0.58 1.0 0.02 0.02) = 0.071% HB2 SER 82 - HN LYS+ 33 14.286% * 0.0594% (0.49 1.0 0.02 0.56) = 0.059% HB2 SER 37 - HN LYS+ 33 14.286% * 0.0433% (0.35 1.0 0.02 0.02) = 0.043% Peak 1064 (4.16, 8.29, 121.00 ppm): 6 chemical-shift based assignments, quality = 0.619, support = 0.397, residual support = 1.0: HA THR 26 - HN GLU- 29 16.667% * 55.2641% (0.92 0.23 0.10) = 55.264% kept HA ALA 34 - HN GLU- 29 16.667% * 35.6895% (0.18 0.75 2.64) = 35.690% kept HA CYS 53 - HN GLU- 29 16.667% * 3.0117% (0.58 0.02 0.02) = 3.012% kept HA GLU- 114 - HN GLU- 29 16.667% * 2.7624% (0.53 0.02 0.02) = 2.762% kept HA1 GLY 101 - HN GLU- 29 16.667% * 1.8340% (0.35 0.02 0.02) = 1.834% kept HA ILE 19 - HN GLU- 29 16.667% * 1.4381% (0.28 0.02 0.02) = 1.438% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1065 (2.93, 6.97, 111.81 ppm): 6 chemical-shift based assignments, quality = 0.913, support = 3.16, residual support = 79.7: O HB2 ASN 28 - HD22 ASN 28 16.667% * 98.9297% (0.92 10.0 3.20 80.55) = 98.930% kept QE LYS+ 65 - HD22 ASN 28 16.667% * 0.4868% (1.00 1.0 0.09 0.02) = 0.487% HB2 ASP- 86 - HD22 ASN 28 16.667% * 0.4161% (0.92 1.0 0.08 0.02) = 0.416% QE LYS+ 33 - HD22 ASN 28 16.667% * 0.0873% (0.81 1.0 0.02 0.02) = 0.087% HB2 ASN 35 - HD22 ASN 28 16.667% * 0.0572% (0.53 1.0 0.02 0.02) = 0.057% HB2 ASP- 78 - HD22 ASN 28 16.667% * 0.0228% (0.21 1.0 0.02 0.02) = 0.023% Peak 1066 (2.72, 7.18, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.511, support = 3.74, residual support = 123.8: O HG2 GLN 30 - HE21 GLN 30 50.000% * 91.5075% (0.49 10.0 3.97 135.03) = 91.507% kept HB3 ASN 28 - HE21 GLN 30 50.000% * 8.4925% (0.77 1.0 1.17 3.30) = 8.493% kept Peak 1067 (2.72, 6.64, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.497, support = 4.05, residual support = 130.3: O HG2 GLN 30 - HE22 GLN 30 50.000% * 96.4413% (0.49 10.0 4.19 135.03) = 96.441% kept HB3 ASN 28 - HE22 GLN 30 50.000% * 3.5587% (0.77 1.0 0.47 3.30) = 3.559% kept Peak 1068 (2.73, 6.97, 111.81 ppm): 4 chemical-shift based assignments, quality = 0.853, support = 3.08, residual support = 80.4: O HB3 ASN 28 - HD22 ASN 28 25.000% * 99.7816% (0.85 10.0 3.09 80.55) = 99.782% kept HG2 GLN 30 - HD22 ASN 28 25.000% * 0.1163% (1.00 1.0 0.02 3.30) = 0.116% QE LYS+ 121 - HD22 ASN 28 25.000% * 0.0736% (0.63 1.0 0.02 0.02) = 0.074% HB3 HIS 122 - HD22 ASN 28 25.000% * 0.0285% (0.24 1.0 0.02 0.88) = 0.028% Peak 1069 (1.07, 6.97, 111.81 ppm): 4 chemical-shift based assignments, quality = 0.803, support = 1.21, residual support = 3.83: HG LEU 63 - HD22 ASN 28 25.000% * 53.8812% (0.81 1.58 2.41) = 53.881% kept QG2 VAL 24 - HD22 ASN 28 25.000% * 34.8891% (0.95 0.88 7.18) = 34.889% kept HG3 LYS+ 112 - HD22 ASN 28 25.000% * 6.7391% (0.31 0.51 0.02) = 6.739% kept QG1 VAL 107 - HD22 ASN 28 25.000% * 4.4906% (0.24 0.44 0.62) = 4.491% kept Peak 1070 (4.01, 8.29, 121.00 ppm): 8 chemical-shift based assignments, quality = 0.772, support = 4.86, residual support = 65.3: O HA GLU- 29 - HN GLU- 29 12.500% * 94.2679% (0.77 10.0 5.11 69.32) = 94.268% kept HA LYS+ 33 - HN GLU- 29 12.500% * 4.8813% (0.92 1.0 0.87 0.12) = 4.881% kept HA VAL 18 - HN GLU- 29 12.500% * 0.3649% (0.73 1.0 0.08 0.02) = 0.365% HB2 SER 37 - HN GLU- 29 12.500% * 0.1455% (0.24 1.0 0.10 0.02) = 0.145% HA GLN 116 - HN GLU- 29 12.500% * 0.1187% (0.97 1.0 0.02 0.02) = 0.119% HA VAL 70 - HN GLU- 29 12.500% * 0.1187% (0.97 1.0 0.02 0.02) = 0.119% HB2 SER 82 - HN GLU- 29 12.500% * 0.0771% (0.63 1.0 0.02 0.02) = 0.077% HA SER 48 - HN GLU- 29 12.500% * 0.0260% (0.21 1.0 0.02 0.02) = 0.026% Peak 1071 (2.93, 8.29, 121.00 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 3.82, residual support = 11.0: HB2 ASN 28 - HN GLU- 29 16.667% * 62.0183% (0.95 5.33 17.39) = 62.018% kept HB2 ASP- 86 - HN GLU- 29 16.667% * 15.5461% (0.89 1.42 0.18) = 15.546% kept QE LYS+ 33 - HN GLU- 29 16.667% * 13.9750% (0.85 1.33 0.12) = 13.975% kept HB2 ASN 35 - HN GLU- 29 16.667% * 8.1559% (0.49 1.37 2.14) = 8.156% kept QE LYS+ 65 - HN GLU- 29 16.667% * 0.2450% (1.00 0.02 0.02) = 0.245% HB2 ASP- 78 - HN GLU- 29 16.667% * 0.0597% (0.24 0.02 0.02) = 0.060% Peak 1072 (2.74, 8.29, 121.00 ppm): 4 chemical-shift based assignments, quality = 0.688, support = 4.89, residual support = 20.1: HG2 GLN 30 - HN GLU- 29 25.000% * 55.6628% (0.81 4.51 22.38) = 55.663% kept HB3 ASN 28 - HN GLU- 29 25.000% * 43.8956% (0.53 5.43 17.39) = 43.896% kept QE LYS+ 121 - HN GLU- 29 25.000% * 0.2797% (0.92 0.02 0.02) = 0.280% HB3 HIS 122 - HN GLU- 29 25.000% * 0.1618% (0.53 0.02 0.02) = 0.162% Peak 1073 (2.42, 8.29, 121.00 ppm): 6 chemical-shift based assignments, quality = 0.414, support = 4.12, residual support = 61.8: HG2 GLU- 29 - HN GLU- 29 16.667% * 89.1463% (0.44 4.57 69.32) = 89.146% kept HB3 ASP- 86 - HN GLU- 29 16.667% * 7.5710% (0.28 0.62 0.18) = 7.571% kept QE LYS+ 112 - HN GLU- 29 16.667% * 0.8733% (0.99 0.02 0.02) = 0.873% HB3 PHE 45 - HN GLU- 29 16.667% * 0.8733% (0.99 0.02 0.02) = 0.873% QG GLN 32 - HN GLU- 29 16.667% * 0.8536% (0.16 0.12 0.02) = 0.854% HB VAL 107 - HN GLU- 29 16.667% * 0.6826% (0.77 0.02 0.02) = 0.683% Peak 1075 (4.15, 8.31, 118.54 ppm): 14 chemical-shift based assignments, quality = 0.656, support = 1.97, residual support = 2.63: HA THR 26 - HN GLN 30 7.143% * 44.6071% (0.95 1.30 2.95) = 44.607% kept HA ASN 28 - HN GLN 30 7.143% * 39.4472% (0.31 3.46 3.30) = 39.447% kept HA1 GLY 101 - HN GLN 30 7.143% * 7.4077% (0.77 0.26 0.02) = 7.408% kept HA ALA 34 - HN GLN 30 7.143% * 4.7144% (0.53 0.24 0.15) = 4.714% kept HA GLU- 114 - HN GLN 30 7.143% * 2.7923% (0.92 0.08 0.02) = 2.792% kept HA1 GLY 101 - HN LYS+ 99 7.143% * 0.5227% (0.03 0.46 1.23) = 0.523% HA LEU 115 - HN GLN 30 7.143% * 0.2570% (0.35 0.02 0.37) = 0.257% HA CYS 53 - HN GLN 30 7.143% * 0.1540% (0.21 0.02 0.02) = 0.154% HA THR 26 - HN LYS+ 99 7.143% * 0.0282% (0.04 0.02 0.02) = 0.028% HA GLU- 114 - HN LYS+ 99 7.143% * 0.0274% (0.04 0.02 0.02) = 0.027% HA ALA 34 - HN LYS+ 99 7.143% * 0.0158% (0.02 0.02 0.02) = 0.016% HA LEU 115 - HN LYS+ 99 7.143% * 0.0105% (0.01 0.02 0.02) = 0.011% HA ASN 28 - HN LYS+ 99 7.143% * 0.0093% (0.01 0.02 0.62) = 0.009% HA CYS 53 - HN LYS+ 99 7.143% * 0.0063% (0.01 0.02 0.02) = 0.006% Peak 1076 (4.00, 8.31, 118.54 ppm): 18 chemical-shift based assignments, quality = 0.991, support = 4.89, residual support = 22.2: O HA GLU- 29 - HN GLN 30 5.556% * 99.3699% (1.00 10.0 4.92 22.38) = 99.370% kept HA VAL 18 - HN GLN 30 5.556% * 0.0984% (0.99 1.0 0.02 0.02) = 0.098% HA LYS+ 33 - HN GLN 30 5.556% * 0.0969% (0.97 1.0 0.02 0.02) = 0.097% HB2 SER 82 - HN GLN 30 5.556% * 0.0947% (0.95 1.0 0.02 0.02) = 0.095% HA GLU- 29 - HN LYS+ 99 5.556% * 0.0778% (0.04 1.0 0.38 0.02) = 0.078% HA GLN 116 - HN GLN 30 5.556% * 0.0677% (0.68 1.0 0.02 0.02) = 0.068% HA VAL 70 - HN GLN 30 5.556% * 0.0677% (0.68 1.0 0.02 0.02) = 0.068% HA SER 48 - HN GLN 30 5.556% * 0.0532% (0.53 1.0 0.02 0.02) = 0.053% HA ALA 88 - HN GLN 30 5.556% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HA GLN 32 - HN GLN 30 5.556% * 0.0243% (0.24 1.0 0.02 0.87) = 0.024% HA VAL 18 - HN LYS+ 99 5.556% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HA LYS+ 33 - HN LYS+ 99 5.556% * 0.0040% (0.04 1.0 0.02 0.02) = 0.004% HB2 SER 82 - HN LYS+ 99 5.556% * 0.0039% (0.04 1.0 0.02 0.02) = 0.004% HA GLN 116 - HN LYS+ 99 5.556% * 0.0028% (0.03 1.0 0.02 0.13) = 0.003% HA VAL 70 - HN LYS+ 99 5.556% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HA SER 48 - HN LYS+ 99 5.556% * 0.0022% (0.02 1.0 0.02 0.02) = 0.002% HA ALA 88 - HN LYS+ 99 5.556% * 0.0011% (0.01 1.0 0.02 0.02) = 0.001% HA GLN 32 - HN LYS+ 99 5.556% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% Peak 1077 (3.84, 8.31, 118.54 ppm): 16 chemical-shift based assignments, quality = 0.888, support = 5.98, residual support = 134.5: O HA GLN 30 - HN GLN 30 6.250% * 99.6339% (0.89 10.0 6.01 135.03) = 99.634% kept HD3 PRO 52 - HN GLN 30 6.250% * 0.1062% (0.95 1.0 0.02 0.02) = 0.106% HB3 SER 82 - HN GLN 30 6.250% * 0.0812% (0.73 1.0 0.02 0.02) = 0.081% HB2 CYS 53 - HN GLN 30 6.250% * 0.0443% (0.40 1.0 0.02 0.02) = 0.044% QB SER 13 - HN GLN 30 6.250% * 0.0396% (0.35 1.0 0.02 0.02) = 0.040% HB THR 39 - HN GLN 30 6.250% * 0.0352% (0.31 1.0 0.02 0.02) = 0.035% HB3 SER 37 - HN GLN 30 6.250% * 0.0206% (0.18 1.0 0.02 0.02) = 0.021% HA ILE 89 - HN GLN 30 6.250% * 0.0206% (0.18 1.0 0.02 0.02) = 0.021% HD3 PRO 52 - HN LYS+ 99 6.250% * 0.0043% (0.04 1.0 0.02 0.02) = 0.004% HA GLN 30 - HN LYS+ 99 6.250% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% HB3 SER 82 - HN LYS+ 99 6.250% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% HB2 CYS 53 - HN LYS+ 99 6.250% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% QB SER 13 - HN LYS+ 99 6.250% * 0.0016% (0.01 1.0 0.02 0.02) = 0.002% HB THR 39 - HN LYS+ 99 6.250% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% HA ILE 89 - HN LYS+ 99 6.250% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% HB3 SER 37 - HN LYS+ 99 6.250% * 0.0008% (0.01 1.0 0.02 0.02) = 0.001% Peak 1078 (2.73, 8.31, 118.54 ppm): 8 chemical-shift based assignments, quality = 0.941, support = 5.57, residual support = 96.1: HG2 GLN 30 - HN GLN 30 12.500% * 70.4534% (1.00 6.88 135.03) = 70.453% kept HB3 ASN 28 - HN GLN 30 12.500% * 24.6883% (0.85 2.81 3.30) = 24.688% kept QE LYS+ 121 - HN GLN 30 12.500% * 4.3086% (0.63 0.66 3.83) = 4.309% kept HB3 HIS 122 - HN GLN 30 12.500% * 0.5267% (0.24 0.21 0.12) = 0.527% HG2 GLN 30 - HN LYS+ 99 12.500% * 0.0084% (0.04 0.02 0.02) = 0.008% HB3 ASN 28 - HN LYS+ 99 12.500% * 0.0072% (0.03 0.02 0.62) = 0.007% QE LYS+ 121 - HN LYS+ 99 12.500% * 0.0053% (0.03 0.02 0.02) = 0.005% HB3 HIS 122 - HN LYS+ 99 12.500% * 0.0021% (0.01 0.02 0.02) = 0.002% Peak 1079 (1.87, 8.31, 118.54 ppm): 26 chemical-shift based assignments, quality = 0.618, support = 4.88, residual support = 113.6: O HB3 GLN 30 - HN GLN 30 3.846% * 84.1167% (0.58 10.0 5.67 135.03) = 84.117% kept HB ILE 56 - HN GLN 30 3.846% * 6.1038% (0.95 1.0 0.89 0.97) = 6.104% kept QB LYS+ 106 - HN GLN 30 3.846% * 3.6820% (0.85 1.0 0.60 0.02) = 3.682% kept HB3 GLN 90 - HN GLN 30 3.846% * 3.3701% (0.73 1.0 0.64 0.02) = 3.370% kept HG2 ARG+ 54 - HN GLN 30 3.846% * 1.1060% (0.44 1.0 0.35 0.02) = 1.106% kept HB3 LYS+ 38 - HN GLN 30 3.846% * 1.1005% (0.81 1.0 0.19 0.02) = 1.100% kept QB LYS+ 81 - HN GLN 30 3.846% * 0.1177% (0.81 1.0 0.02 0.02) = 0.118% QB LYS+ 33 - HN GLN 30 3.846% * 0.0911% (0.63 1.0 0.02 0.02) = 0.091% HB3 ASP- 105 - HN GLN 30 3.846% * 0.0703% (0.49 1.0 0.02 0.02) = 0.070% HB2 MET 92 - HN GLN 30 3.846% * 0.0573% (0.40 1.0 0.02 0.02) = 0.057% HB ILE 103 - HN GLN 30 3.846% * 0.0573% (0.40 1.0 0.02 0.02) = 0.057% HG3 PRO 68 - HN GLN 30 3.846% * 0.0512% (0.35 1.0 0.02 0.02) = 0.051% HB3 PRO 58 - HN GLN 30 3.846% * 0.0307% (0.21 1.0 0.02 0.02) = 0.031% HB ILE 56 - HN LYS+ 99 3.846% * 0.0056% (0.04 1.0 0.02 0.02) = 0.006% QB LYS+ 106 - HN LYS+ 99 3.846% * 0.0051% (0.03 1.0 0.02 0.02) = 0.005% HB3 LYS+ 38 - HN LYS+ 99 3.846% * 0.0048% (0.03 1.0 0.02 0.73) = 0.005% QB LYS+ 81 - HN LYS+ 99 3.846% * 0.0048% (0.03 1.0 0.02 0.02) = 0.005% HB3 GLN 90 - HN LYS+ 99 3.846% * 0.0043% (0.03 1.0 0.02 0.02) = 0.004% QB LYS+ 33 - HN LYS+ 99 3.846% * 0.0037% (0.03 1.0 0.02 0.02) = 0.004% HB3 GLN 30 - HN LYS+ 99 3.846% * 0.0034% (0.02 1.0 0.02 0.02) = 0.003% HB3 ASP- 105 - HN LYS+ 99 3.846% * 0.0029% (0.02 1.0 0.02 0.02) = 0.003% HG2 ARG+ 54 - HN LYS+ 99 3.846% * 0.0026% (0.02 1.0 0.02 0.02) = 0.003% HB2 MET 92 - HN LYS+ 99 3.846% * 0.0023% (0.02 1.0 0.02 0.02) = 0.002% HB ILE 103 - HN LYS+ 99 3.846% * 0.0023% (0.02 1.0 0.02 0.57) = 0.002% HG3 PRO 68 - HN LYS+ 99 3.846% * 0.0021% (0.01 1.0 0.02 0.02) = 0.002% HB3 PRO 58 - HN LYS+ 99 3.846% * 0.0013% (0.01 1.0 0.02 0.02) = 0.001% Peak 1080 (0.79, 8.31, 118.54 ppm): 8 chemical-shift based assignments, quality = 0.757, support = 3.71, residual support = 16.8: HG LEU 31 - HN GLN 30 12.500% * 53.3589% (0.73 5.01 29.72) = 53.359% kept QD1 ILE 56 - HN GLN 30 12.500% * 29.6549% (1.00 2.03 0.97) = 29.655% kept HG3 LYS+ 121 - HN GLN 30 12.500% * 16.6883% (0.44 2.58 3.83) = 16.688% kept QD2 LEU 73 - HN GLN 30 12.500% * 0.2612% (0.89 0.02 0.60) = 0.261% QD1 ILE 56 - HN LYS+ 99 12.500% * 0.0120% (0.04 0.02 0.02) = 0.012% QD2 LEU 73 - HN LYS+ 99 12.500% * 0.0107% (0.04 0.02 0.02) = 0.011% HG LEU 31 - HN LYS+ 99 12.500% * 0.0087% (0.03 0.02 0.02) = 0.009% HG3 LYS+ 121 - HN LYS+ 99 12.500% * 0.0053% (0.02 0.02 0.02) = 0.005% Peak 1081 (1.49, 8.31, 118.54 ppm): 14 chemical-shift based assignments, quality = 0.548, support = 1.67, residual support = 3.01: QG2 THR 26 - HN GLN 30 7.143% * 64.4804% (0.63 2.00 2.95) = 64.480% kept HD2 LYS+ 121 - HN GLN 30 7.143% * 29.0514% (0.44 1.29 3.83) = 29.051% kept QB ALA 120 - HN GLN 30 7.143% * 3.8094% (0.35 0.21 0.02) = 3.809% kept HB2 LYS+ 74 - HN GLN 30 7.143% * 0.9436% (0.92 0.02 0.02) = 0.944% HB3 LEU 40 - HN GLN 30 7.143% * 0.6448% (0.63 0.02 0.23) = 0.645% HG2 LYS+ 65 - HN GLN 30 7.143% * 0.5460% (0.53 0.02 0.02) = 0.546% HG LEU 115 - HN GLN 30 7.143% * 0.3625% (0.35 0.02 0.37) = 0.362% HB2 LYS+ 74 - HN LYS+ 99 7.143% * 0.0386% (0.04 0.02 0.02) = 0.039% QG2 THR 26 - HN LYS+ 99 7.143% * 0.0264% (0.03 0.02 0.02) = 0.026% HB3 LEU 40 - HN LYS+ 99 7.143% * 0.0264% (0.03 0.02 4.82) = 0.026% HG2 LYS+ 65 - HN LYS+ 99 7.143% * 0.0223% (0.02 0.02 0.02) = 0.022% HD2 LYS+ 121 - HN LYS+ 99 7.143% * 0.0184% (0.02 0.02 0.02) = 0.018% HG LEU 115 - HN LYS+ 99 7.143% * 0.0148% (0.01 0.02 0.02) = 0.015% QB ALA 120 - HN LYS+ 99 7.143% * 0.0148% (0.01 0.02 0.02) = 0.015% Peak 1082 (2.06, 8.31, 118.54 ppm): 20 chemical-shift based assignments, quality = 0.289, support = 5.06, residual support = 127.8: O HB2 GLN 30 - HN GLN 30 5.000% * 94.6654% (0.28 10.0 5.33 135.03) = 94.665% kept HB2 ARG+ 54 - HN GLN 30 5.000% * 4.1020% (0.63 1.0 0.38 0.02) = 4.102% kept HB2 PRO 93 - HN GLN 30 5.000% * 0.3235% (0.95 1.0 0.02 0.02) = 0.323% HB VAL 108 - HN GLN 30 5.000% * 0.1818% (0.53 1.0 0.02 0.02) = 0.182% HG2 MET 11 - HN GLN 30 5.000% * 0.1501% (0.44 1.0 0.02 0.02) = 0.150% HB2 GLU- 14 - HN GLN 30 5.000% * 0.1350% (0.40 1.0 0.02 0.02) = 0.135% HG3 PRO 52 - HN GLN 30 5.000% * 0.1072% (0.31 1.0 0.02 0.02) = 0.107% HG2 PRO 58 - HN GLN 30 5.000% * 0.1072% (0.31 1.0 0.02 0.02) = 0.107% HB ILE 119 - HN GLN 30 5.000% * 0.0947% (0.28 1.0 0.02 0.78) = 0.095% HB3 GLU- 100 - HN GLN 30 5.000% * 0.0724% (0.21 1.0 0.02 0.02) = 0.072% HB2 PRO 93 - HN LYS+ 99 5.000% * 0.0132% (0.04 1.0 0.02 0.02) = 0.013% HB2 ARG+ 54 - HN LYS+ 99 5.000% * 0.0088% (0.03 1.0 0.02 0.02) = 0.009% HB VAL 108 - HN LYS+ 99 5.000% * 0.0074% (0.02 1.0 0.02 0.02) = 0.007% HG2 MET 11 - HN LYS+ 99 5.000% * 0.0061% (0.02 1.0 0.02 0.02) = 0.006% HB2 GLU- 14 - HN LYS+ 99 5.000% * 0.0055% (0.02 1.0 0.02 0.02) = 0.006% HG2 PRO 58 - HN LYS+ 99 5.000% * 0.0044% (0.01 1.0 0.02 0.02) = 0.004% HG3 PRO 52 - HN LYS+ 99 5.000% * 0.0044% (0.01 1.0 0.02 0.02) = 0.004% HB2 GLN 30 - HN LYS+ 99 5.000% * 0.0039% (0.01 1.0 0.02 0.02) = 0.004% HB ILE 119 - HN LYS+ 99 5.000% * 0.0039% (0.01 1.0 0.02 0.02) = 0.004% HB3 GLU- 100 - HN LYS+ 99 5.000% * 0.0030% (0.01 1.0 0.02 26.98) = 0.003% Peak 1083 (2.16, 8.31, 118.54 ppm): 12 chemical-shift based assignments, quality = 0.913, support = 4.24, residual support = 20.7: HB3 GLU- 29 - HN GLN 30 8.333% * 47.8901% (0.85 4.97 22.38) = 47.890% kept HG3 GLU- 29 - HN GLN 30 8.333% * 44.5132% (0.97 4.07 22.38) = 44.513% kept HB2 GLN 90 - HN GLN 30 8.333% * 7.2494% (0.99 0.65 0.02) = 7.249% kept HB2 LYS+ 38 - HN GLN 30 8.333% * 0.1097% (0.49 0.02 0.02) = 0.110% QB GLU- 36 - HN GLN 30 8.333% * 0.1097% (0.49 0.02 0.02) = 0.110% HB3 GLU- 79 - HN GLN 30 8.333% * 0.0894% (0.40 0.02 0.02) = 0.089% HB2 GLN 90 - HN LYS+ 99 8.333% * 0.0091% (0.04 0.02 0.02) = 0.009% HG3 GLU- 29 - HN LYS+ 99 8.333% * 0.0090% (0.04 0.02 0.02) = 0.009% HB3 GLU- 29 - HN LYS+ 99 8.333% * 0.0079% (0.03 0.02 0.02) = 0.008% QB GLU- 36 - HN LYS+ 99 8.333% * 0.0045% (0.02 0.02 0.02) = 0.004% HB2 LYS+ 38 - HN LYS+ 99 8.333% * 0.0045% (0.02 0.02 0.73) = 0.004% HB3 GLU- 79 - HN LYS+ 99 8.333% * 0.0037% (0.02 0.02 0.02) = 0.004% Peak 1084 (2.24, 8.29, 121.00 ppm): 7 chemical-shift based assignments, quality = 0.675, support = 4.55, residual support = 68.9: O HB2 GLU- 29 - HN GLU- 29 14.286% * 99.4435% (0.68 10.0 4.57 69.32) = 99.444% kept HB2 ASP- 105 - HN GLU- 29 14.286% * 0.1446% (0.99 1.0 0.02 0.02) = 0.145% HG3 MET 92 - HN GLU- 29 14.286% * 0.1193% (0.81 1.0 0.02 0.02) = 0.119% HB3 ASP- 76 - HN GLU- 29 14.286% * 0.1193% (0.81 1.0 0.02 0.02) = 0.119% HG2 GLU- 100 - HN GLU- 29 14.286% * 0.1064% (0.73 1.0 0.02 0.02) = 0.106% HG12 ILE 119 - HN GLU- 29 14.286% * 0.0357% (0.24 1.0 0.02 0.02) = 0.036% HB2 MET 96 - HN GLU- 29 14.286% * 0.0311% (0.21 1.0 0.02 0.02) = 0.031% Peak 1085 (2.17, 8.29, 121.00 ppm): 6 chemical-shift based assignments, quality = 0.67, support = 4.58, residual support = 67.6: O HB3 GLU- 29 - HN GLU- 29 16.667% * 66.2039% (0.53 10.0 4.38 69.32) = 66.204% kept HG3 GLU- 29 - HN GLU- 29 16.667% * 31.3214% (0.95 1.0 5.32 69.32) = 31.321% kept HB2 LYS+ 38 - HN GLU- 29 16.667% * 2.3331% (0.81 1.0 0.46 0.02) = 2.333% kept HB2 GLN 90 - HN GLU- 29 16.667% * 0.0957% (0.77 1.0 0.02 0.02) = 0.096% QB GLU- 36 - HN GLU- 29 16.667% * 0.0263% (0.21 1.0 0.02 0.12) = 0.026% HB3 GLU- 79 - HN GLU- 29 16.667% * 0.0196% (0.16 1.0 0.02 0.02) = 0.020% Peak 1086 (2.03, 7.18, 111.61 ppm): 11 chemical-shift based assignments, quality = 0.94, support = 3.12, residual support = 127.5: O HG3 GLN 30 - HE21 GLN 30 9.091% * 82.7988% (0.99 10.0 3.13 135.03) = 82.799% kept HB2 GLN 30 - HE21 GLN 30 9.091% * 11.5962% (0.73 1.0 3.81 135.03) = 11.596% kept HB ILE 119 - HE21 GLN 30 9.091% * 5.2898% (0.73 1.0 1.74 0.78) = 5.290% kept HB3 GLU- 100 - HE21 GLN 30 9.091% * 0.0683% (0.81 1.0 0.02 0.02) = 0.068% HB3 PRO 68 - HE21 GLN 30 9.091% * 0.0683% (0.81 1.0 0.02 0.02) = 0.068% HB2 LYS+ 111 - HE21 GLN 30 9.091% * 0.0370% (0.44 1.0 0.02 0.02) = 0.037% HB VAL 108 - HE21 GLN 30 9.091% * 0.0370% (0.44 1.0 0.02 0.02) = 0.037% HB2 ARG+ 54 - HE21 GLN 30 9.091% * 0.0297% (0.35 1.0 0.02 0.02) = 0.030% HB2 GLN 17 - HE21 GLN 30 9.091% * 0.0297% (0.35 1.0 0.02 0.02) = 0.030% QB GLU- 15 - HE21 GLN 30 9.091% * 0.0297% (0.35 1.0 0.02 0.02) = 0.030% HB3 GLU- 25 - HE21 GLN 30 9.091% * 0.0154% (0.18 1.0 0.02 0.02) = 0.015% Peak 1087 (0.72, 7.18, 111.61 ppm): 3 chemical-shift based assignments, quality = 0.558, support = 1.2, residual support = 1.26: QD2 LEU 104 - HE21 GLN 30 33.333% * 38.6716% (0.44 1.49 1.54) = 38.672% kept QD1 LEU 98 - HE21 GLN 30 33.333% * 37.6510% (0.85 0.75 0.99) = 37.651% kept QD1 ILE 19 - HE21 GLN 30 33.333% * 23.6774% (0.28 1.45 1.20) = 23.677% kept Peak 1088 (0.72, 6.64, 111.61 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 0.907, residual support = 1.22: QD1 LEU 98 - HE22 GLN 30 33.333% * 46.1981% (0.85 0.75 0.99) = 46.198% kept QD2 LEU 104 - HE22 GLN 30 33.333% * 34.5772% (0.44 1.09 1.54) = 34.577% kept QD1 ILE 19 - HE22 GLN 30 33.333% * 19.2246% (0.28 0.96 1.20) = 19.225% kept Peak 1089 (3.61, 8.06, 119.69 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 5.77, residual support = 35.1: O HA LEU 31 - HN GLN 32 100.000% *100.0000% (0.95 10.0 5.77 35.12) = 100.000% kept Peak 1090 (2.40, 8.06, 119.69 ppm): 5 chemical-shift based assignments, quality = 0.913, support = 3.36, residual support = 29.1: QG GLN 32 - HN GLN 32 20.000% * 79.9182% (0.99 3.95 36.13) = 79.918% kept QG GLU- 79 - HN GLN 32 20.000% * 16.4759% (0.73 1.11 1.44) = 16.476% kept QE LYS+ 112 - HN GLN 32 20.000% * 2.6216% (0.16 0.81 0.02) = 2.622% kept HB VAL 107 - HN GLN 32 20.000% * 0.9194% (0.58 0.08 0.02) = 0.919% HB3 PHE 45 - HN GLN 32 20.000% * 0.0648% (0.16 0.02 0.02) = 0.065% Peak 1091 (2.12, 8.06, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.849, support = 3.96, residual support = 35.9: O QB GLN 32 - HN GLN 32 25.000% * 99.2904% (0.85 10.0 3.99 36.13) = 99.290% kept HB VAL 24 - HN GLN 32 25.000% * 0.5292% (0.92 1.0 0.10 0.02) = 0.529% HG3 GLU- 100 - HN GLN 32 25.000% * 0.1128% (0.97 1.0 0.02 0.02) = 0.113% HB2 PRO 68 - HN GLN 32 25.000% * 0.0676% (0.58 1.0 0.02 0.02) = 0.068% Peak 1092 (1.89, 8.06, 119.69 ppm): 8 chemical-shift based assignments, quality = 0.935, support = 1.74, residual support = 0.861: HB3 GLN 30 - HN GLN 32 12.500% * 74.7147% (0.99 2.10 0.87) = 74.715% kept HB3 PRO 58 - HN GLN 32 12.500% * 23.0867% (0.85 0.75 0.91) = 23.087% kept HB2 MET 92 - HN GLN 32 12.500% * 0.7110% (0.99 0.02 0.02) = 0.711% HB3 LYS+ 38 - HN GLN 32 12.500% * 0.6156% (0.85 0.02 0.02) = 0.616% HB ILE 56 - HN GLN 32 12.500% * 0.4890% (0.68 0.02 0.02) = 0.489% QB LYS+ 106 - HN GLN 32 12.500% * 0.1530% (0.21 0.02 0.02) = 0.153% QB LYS+ 81 - HN GLN 32 12.500% * 0.1325% (0.18 0.02 0.02) = 0.133% HB3 GLN 90 - HN GLN 32 12.500% * 0.0975% (0.14 0.02 0.02) = 0.097% Peak 1093 (1.34, 8.06, 119.69 ppm): 12 chemical-shift based assignments, quality = 0.944, support = 5.22, residual support = 31.9: HB2 LEU 31 - HN GLN 32 8.333% * 90.7637% (0.97 5.73 35.12) = 90.764% kept HB3 LEU 80 - HN GLN 32 8.333% * 6.2184% (1.00 0.38 0.02) = 6.218% kept QB ALA 84 - HN GLN 32 8.333% * 0.8668% (0.40 0.13 0.02) = 0.867% HB3 PRO 93 - HN GLN 32 8.333% * 0.4489% (0.35 0.08 0.02) = 0.449% HB2 LEU 63 - HN GLN 32 8.333% * 0.3100% (0.95 0.02 0.02) = 0.310% HG2 LYS+ 111 - HN GLN 32 8.333% * 0.3012% (0.92 0.02 0.02) = 0.301% HB3 ASP- 44 - HN GLN 32 8.333% * 0.2789% (0.85 0.02 0.02) = 0.279% QB ALA 124 - HN GLN 32 8.333% * 0.2215% (0.68 0.02 0.02) = 0.222% HG2 LYS+ 99 - HN GLN 32 8.333% * 0.2058% (0.63 0.02 0.02) = 0.206% HG LEU 98 - HN GLN 32 8.333% * 0.1743% (0.53 0.02 0.02) = 0.174% HG2 LYS+ 38 - HN GLN 32 8.333% * 0.1588% (0.49 0.02 0.02) = 0.159% QB ALA 88 - HN GLN 32 8.333% * 0.0517% (0.16 0.02 0.02) = 0.052% Peak 1094 (1.12, 8.06, 119.69 ppm): 6 chemical-shift based assignments, quality = 0.957, support = 5.64, residual support = 34.6: HB3 LEU 31 - HN GLN 32 16.667% * 98.4991% (0.97 5.73 35.12) = 98.499% kept QG1 VAL 24 - HN GLN 32 16.667% * 0.7701% (0.44 0.10 0.02) = 0.770% HG13 ILE 119 - HN GLN 32 16.667% * 0.3363% (0.95 0.02 0.02) = 0.336% HD3 LYS+ 112 - HN GLN 32 16.667% * 0.2061% (0.58 0.02 0.02) = 0.206% QB ALA 20 - HN GLN 32 16.667% * 0.1404% (0.40 0.02 0.02) = 0.140% QG1 VAL 107 - HN GLN 32 16.667% * 0.0479% (0.14 0.02 0.02) = 0.048% Peak 1096 (2.40, 7.95, 120.58 ppm): 5 chemical-shift based assignments, quality = 0.731, support = 3.52, residual support = 14.4: QG GLN 32 - HN LYS+ 33 20.000% * 86.4981% (0.77 3.95 16.64) = 86.498% kept QG GLU- 79 - HN LYS+ 33 20.000% * 10.7094% (0.40 0.95 0.32) = 10.709% kept HB VAL 107 - HN LYS+ 33 20.000% * 2.3423% (0.89 0.09 0.02) = 2.342% kept QE LYS+ 112 - HN LYS+ 33 20.000% * 0.2251% (0.40 0.02 0.02) = 0.225% HB3 PHE 45 - HN LYS+ 33 20.000% * 0.2251% (0.40 0.02 0.02) = 0.225% Peak 1097 (2.11, 7.95, 120.58 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 3.93, residual support = 16.4: QB GLN 32 - HN LYS+ 33 25.000% * 98.7081% (1.00 3.98 16.64) = 98.708% kept HB VAL 24 - HN LYS+ 33 25.000% * 0.4897% (0.99 0.02 0.02) = 0.490% HB2 PRO 68 - HN LYS+ 33 25.000% * 0.4420% (0.89 0.02 0.02) = 0.442% HG3 GLU- 100 - HN LYS+ 33 25.000% * 0.3602% (0.73 0.02 0.02) = 0.360% Peak 1098 (1.87, 7.95, 120.58 ppm): 12 chemical-shift based assignments, quality = 0.948, support = 5.01, residual support = 108.9: O QB LYS+ 33 - HN LYS+ 33 8.333% * 93.9419% (0.95 10.0 5.30 115.75) = 93.942% kept QB LYS+ 81 - HN LYS+ 33 8.333% * 3.6513% (1.00 1.0 0.74 5.24) = 3.651% kept QB LYS+ 106 - HN LYS+ 33 8.333% * 1.8525% (1.00 1.0 0.38 0.02) = 1.853% kept HB3 GLN 90 - HN LYS+ 33 8.333% * 0.0976% (0.99 1.0 0.02 0.02) = 0.098% HB3 ASP- 105 - HN LYS+ 33 8.333% * 0.0845% (0.85 1.0 0.02 0.21) = 0.085% HG2 ARG+ 54 - HN LYS+ 33 8.333% * 0.0806% (0.81 1.0 0.02 0.33) = 0.081% HB ILE 103 - HN LYS+ 33 8.333% * 0.0763% (0.77 1.0 0.02 0.02) = 0.076% HG3 PRO 68 - HN LYS+ 33 8.333% * 0.0718% (0.73 1.0 0.02 0.02) = 0.072% HB ILE 56 - HN LYS+ 33 8.333% * 0.0624% (0.63 1.0 0.02 0.02) = 0.062% HB3 LYS+ 38 - HN LYS+ 33 8.333% * 0.0436% (0.44 1.0 0.02 0.02) = 0.044% HB3 GLN 30 - HN LYS+ 33 8.333% * 0.0241% (0.24 1.0 0.02 0.02) = 0.024% HB2 MET 92 - HN LYS+ 33 8.333% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% Peak 1099 (1.56, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.573, support = 3.33, residual support = 93.9: HG2 LYS+ 33 - HN LYS+ 33 33.333% * 80.8724% (0.49 4.04 115.75) = 80.872% kept HG2 LYS+ 106 - HN LYS+ 33 33.333% * 14.4421% (0.95 0.37 0.02) = 14.442% kept QG LYS+ 81 - HN LYS+ 33 33.333% * 4.6855% (0.89 0.13 5.24) = 4.686% kept Peak 1100 (1.36, 7.95, 120.58 ppm): 14 chemical-shift based assignments, quality = 0.406, support = 3.29, residual support = 71.9: HG3 LYS+ 33 - HN LYS+ 33 7.143% * 62.0169% (0.24 5.06 115.75) = 62.017% kept QB ALA 84 - HN LYS+ 33 7.143% * 24.1437% (0.92 0.52 0.17) = 24.144% kept HB3 LEU 80 - HN LYS+ 33 7.143% * 5.8926% (0.24 0.48 1.48) = 5.893% kept HG3 LYS+ 106 - HN LYS+ 33 7.143% * 2.6314% (0.68 0.08 0.02) = 2.631% kept HB3 PRO 93 - HN LYS+ 33 7.143% * 0.9553% (0.95 0.02 0.02) = 0.955% HG LEU 98 - HN LYS+ 33 7.143% * 0.8192% (0.81 0.02 0.02) = 0.819% QB ALA 124 - HN LYS+ 33 7.143% * 0.6827% (0.68 0.02 0.02) = 0.683% HB2 LYS+ 112 - HN LYS+ 33 7.143% * 0.5370% (0.53 0.02 0.02) = 0.537% HB3 ASP- 44 - HN LYS+ 33 7.143% * 0.4894% (0.49 0.02 0.02) = 0.489% HG3 LYS+ 102 - HN LYS+ 33 7.143% * 0.4432% (0.44 0.02 0.02) = 0.443% HB3 LEU 73 - HN LYS+ 33 7.143% * 0.3988% (0.40 0.02 0.02) = 0.399% HB2 LEU 63 - HN LYS+ 33 7.143% * 0.3565% (0.35 0.02 0.02) = 0.357% HB VAL 42 - HN LYS+ 33 7.143% * 0.3167% (0.31 0.02 0.02) = 0.317% HG3 LYS+ 65 - HN LYS+ 33 7.143% * 0.3167% (0.31 0.02 1.01) = 0.317% Peak 1101 (0.08, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.728, support = 0.494, residual support = 0.239: QD2 LEU 31 - HN LYS+ 33 33.333% * 56.7250% (0.53 0.68 0.41) = 56.725% kept QG2 VAL 83 - HN LYS+ 33 33.333% * 40.4027% (0.99 0.26 0.02) = 40.403% kept QD1 ILE 89 - HN LYS+ 33 33.333% * 2.8723% (0.92 0.02 0.02) = 2.872% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1114 (4.00, 8.36, 120.50 ppm): 9 chemical-shift based assignments, quality = 0.9, support = 1.32, residual support = 1.12: HA LYS+ 33 - HN ASN 35 11.111% * 36.5743% (0.97 1.84 1.15) = 36.574% kept HA GLU- 29 - HN ASN 35 11.111% * 30.4350% (1.00 1.50 2.14) = 30.435% kept HB2 SER 82 - HN ASN 35 11.111% * 13.3374% (0.95 0.69 0.24) = 13.337% kept HA VAL 18 - HN ASN 35 11.111% * 6.8175% (0.99 0.34 0.02) = 6.818% kept HA SER 48 - HN ASN 35 11.111% * 5.3659% (0.53 0.49 0.10) = 5.366% kept HA ALA 88 - HN ASN 35 11.111% * 4.0840% (0.28 0.72 0.13) = 4.084% kept HA GLN 32 - HN ASN 35 11.111% * 2.8318% (0.24 0.57 0.02) = 2.832% kept HA GLN 116 - HN ASN 35 11.111% * 0.2771% (0.68 0.02 0.02) = 0.277% HA VAL 70 - HN ASN 35 11.111% * 0.2771% (0.68 0.02 0.02) = 0.277% Peak 1115 (4.10, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 3.47, residual support = 31.9: HA GLU- 36 - HN ASN 35 25.000% * 92.6881% (0.95 3.73 34.38) = 92.688% kept HA LYS+ 81 - HN ASN 35 25.000% * 6.6275% (1.00 0.25 0.02) = 6.628% kept HA ALA 124 - HN ASN 35 25.000% * 0.3798% (0.73 0.02 0.02) = 0.380% HA ARG+ 54 - HN ASN 35 25.000% * 0.3046% (0.58 0.02 0.02) = 0.305% Peak 1116 (2.92, 8.36, 120.50 ppm): 7 chemical-shift based assignments, quality = 0.494, support = 3.6, residual support = 26.8: O HB2 ASN 35 - HN ASN 35 14.286% * 55.2019% (0.18 10.0 5.30 48.03) = 55.202% kept QE LYS+ 33 - HN ASN 35 14.286% * 28.7529% (1.00 1.0 1.92 1.15) = 28.753% kept HB2 ASP- 78 - HN ASN 35 14.286% * 9.6572% (0.58 1.0 1.11 0.02) = 9.657% kept HB2 ASN 28 - HN ASN 35 14.286% * 4.0802% (0.95 1.0 0.29 0.02) = 4.080% kept HB2 ASP- 86 - HN ASN 35 14.286% * 2.0228% (0.53 1.0 0.25 0.02) = 2.023% kept QE LYS+ 65 - HN ASN 35 14.286% * 0.2444% (0.81 1.0 0.02 0.02) = 0.244% HB2 ASP- 76 - HN ASN 35 14.286% * 0.0406% (0.14 1.0 0.02 0.02) = 0.041% Peak 1117 (1.28, 8.36, 120.50 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 3.02, residual support = 12.3: QB ALA 34 - HN ASN 35 16.667% * 94.1723% (0.89 3.20 13.07) = 94.172% kept HG3 LYS+ 38 - HN ASN 35 16.667% * 3.6764% (0.44 0.25 0.02) = 3.676% kept QG2 THR 39 - HN ASN 35 16.667% * 0.9381% (0.18 0.15 0.26) = 0.938% QG2 THR 23 - HN ASN 35 16.667% * 0.6425% (0.97 0.02 0.02) = 0.643% QG2 ILE 56 - HN ASN 35 16.667% * 0.4490% (0.68 0.02 0.02) = 0.449% QB ALA 91 - HN ASN 35 16.667% * 0.1217% (0.18 0.02 0.02) = 0.122% Peak 1118 (2.93, 7.61, 111.81 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 3.47, residual support = 80.0: O HB2 ASN 28 - HD21 ASN 28 16.667% * 99.3377% (0.95 10.0 3.49 80.55) = 99.338% kept HB2 ASP- 86 - HD21 ASN 28 16.667% * 0.3919% (0.89 1.0 0.08 0.02) = 0.392% QE LYS+ 65 - HD21 ASN 28 16.667% * 0.1046% (1.00 1.0 0.02 0.02) = 0.105% QE LYS+ 33 - HD21 ASN 28 16.667% * 0.0894% (0.85 1.0 0.02 0.02) = 0.089% HB2 ASN 35 - HD21 ASN 28 16.667% * 0.0509% (0.49 1.0 0.02 0.02) = 0.051% HB2 ASP- 78 - HD21 ASN 28 16.667% * 0.0255% (0.24 1.0 0.02 0.02) = 0.025% Peak 1119 (2.73, 7.61, 111.81 ppm): 4 chemical-shift based assignments, quality = 0.857, support = 3.31, residual support = 78.6: O HB3 ASN 28 - HD21 ASN 28 25.000% * 97.4811% (0.85 10.0 3.38 80.55) = 97.481% kept HG2 GLN 30 - HD21 ASN 28 25.000% * 2.4192% (1.00 1.0 0.43 3.30) = 2.419% kept QE LYS+ 121 - HD21 ASN 28 25.000% * 0.0719% (0.63 1.0 0.02 0.02) = 0.072% HB3 HIS 122 - HD21 ASN 28 25.000% * 0.0278% (0.24 1.0 0.02 0.88) = 0.028% Peak 1120 (1.06, 7.61, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.79, support = 1.4, residual support = 4.19: HG LEU 63 - HD21 ASN 28 33.333% * 53.1817% (0.85 1.51 2.41) = 53.182% kept QG2 VAL 24 - HD21 ASN 28 33.333% * 40.4153% (0.68 1.44 7.18) = 40.415% kept HG3 LYS+ 112 - HD21 ASN 28 33.333% * 6.4030% (0.95 0.16 0.02) = 6.403% kept Peak 1121 (4.49, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.85, residual support = 37.7: O HA TRP 27 - HN ASN 28 25.000% * 97.8666% (1.00 10.0 4.94 38.50) = 97.867% kept HA VAL 107 - HN ASN 28 25.000% * 2.0074% (0.73 1.0 0.56 0.62) = 2.007% kept HA ALA 91 - HN ASN 28 25.000% * 0.0872% (0.89 1.0 0.02 0.02) = 0.087% HA PRO 52 - HN ASN 28 25.000% * 0.0388% (0.40 1.0 0.02 0.02) = 0.039% Peak 1122 (3.76, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.791, support = 4.87, residual support = 6.17: HA VAL 24 - HN ASN 28 25.000% * 83.8447% (0.89 5.21 7.18) = 83.845% kept HA LYS+ 38 - HN ASN 28 25.000% * 15.8791% (0.28 3.16 0.91) = 15.879% kept HD2 PRO 68 - HN ASN 28 25.000% * 0.1758% (0.49 0.02 0.02) = 0.176% HA ALA 61 - HN ASN 28 25.000% * 0.1004% (0.28 0.02 0.02) = 0.100% Peak 1124 (3.57, 8.80, 115.33 ppm): 3 chemical-shift based assignments, quality = 0.721, support = 5.31, residual support = 38.2: HB2 TRP 27 - HN ASN 28 33.333% * 99.2348% (0.73 5.35 38.50) = 99.235% kept HA THR 77 - HN ASN 28 33.333% * 0.3942% (0.77 0.02 0.02) = 0.394% HD2 PRO 93 - HN ASN 28 33.333% * 0.3710% (0.73 0.02 0.02) = 0.371% Peak 1125 (2.93, 8.80, 115.33 ppm): 6 chemical-shift based assignments, quality = 0.943, support = 5.49, residual support = 78.7: O HB2 ASN 28 - HN ASN 28 16.667% * 97.7234% (0.95 10.0 5.61 80.55) = 97.723% kept HB2 ASP- 86 - HN ASN 28 16.667% * 1.6506% (0.89 1.0 0.36 0.02) = 1.651% kept QE LYS+ 33 - HN ASN 28 16.667% * 0.4480% (0.85 1.0 0.10 0.02) = 0.448% QE LYS+ 65 - HN ASN 28 16.667% * 0.1029% (1.00 1.0 0.02 0.02) = 0.103% HB2 ASN 35 - HN ASN 28 16.667% * 0.0501% (0.49 1.0 0.02 0.02) = 0.050% HB2 ASP- 78 - HN ASN 28 16.667% * 0.0251% (0.24 1.0 0.02 0.02) = 0.025% Peak 1126 (2.73, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.866, support = 5.26, residual support = 73.8: O HB3 ASN 28 - HN ASN 28 25.000% * 91.2856% (0.85 10.0 5.60 80.55) = 91.286% kept HG2 GLN 30 - HN ASN 28 25.000% * 8.6210% (1.00 1.0 1.62 3.30) = 8.621% kept QE LYS+ 121 - HN ASN 28 25.000% * 0.0674% (0.63 1.0 0.02 0.02) = 0.067% HB3 HIS 122 - HN ASN 28 25.000% * 0.0260% (0.24 1.0 0.02 0.88) = 0.026% Peak 1127 (2.19, 8.80, 115.33 ppm): 5 chemical-shift based assignments, quality = 0.717, support = 0.608, residual support = 1.74: HB2 GLU- 25 - HN ASN 28 20.000% * 50.8856% (0.85 0.71 2.79) = 50.886% kept HB VAL 70 - HN ASN 28 20.000% * 28.9800% (0.63 0.55 0.51) = 28.980% kept HB2 LYS+ 38 - HN ASN 28 20.000% * 18.6140% (0.49 0.46 0.91) = 18.614% kept QG GLN 17 - HN ASN 28 20.000% * 1.2130% (0.73 0.02 0.02) = 1.213% kept HB2 MET 96 - HN ASN 28 20.000% * 0.3074% (0.18 0.02 0.02) = 0.307% Peak 1128 (1.09, 8.80, 115.33 ppm): 5 chemical-shift based assignments, quality = 0.577, support = 1.66, residual support = 4.72: QG1 VAL 24 - HN ASN 28 20.000% * 36.8257% (0.49 2.02 7.18) = 36.826% kept QG1 VAL 107 - HN ASN 28 20.000% * 35.2480% (0.89 1.06 0.62) = 35.248% kept QG2 VAL 24 - HN ASN 28 20.000% * 25.0093% (0.31 2.12 7.18) = 25.009% kept HG LEU 63 - HN ASN 28 20.000% * 2.6519% (0.18 0.39 2.41) = 2.652% kept HD3 LYS+ 112 - HN ASN 28 20.000% * 0.2652% (0.35 0.02 0.02) = 0.265% Peak 1129 (0.61, 8.80, 115.33 ppm): 5 chemical-shift based assignments, quality = 0.455, support = 1.61, residual support = 0.566: QD1 LEU 104 - HN ASN 28 20.000% * 29.0211% (0.58 1.26 0.35) = 29.021% kept QD2 LEU 115 - HN ASN 28 20.000% * 26.9035% (0.28 2.45 1.25) = 26.904% kept QD2 LEU 80 - HN ASN 28 20.000% * 24.7341% (0.31 1.99 0.48) = 24.734% kept QG2 ILE 89 - HN ASN 28 20.000% * 10.7482% (0.44 0.62 0.02) = 10.748% kept QG1 VAL 83 - HN ASN 28 20.000% * 8.5930% (1.00 0.22 0.11) = 8.593% kept Peak 1130 (3.77, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.843, support = 2.82, residual support = 11.2: HA VAL 24 - HN TRP 27 16.667% * 61.3203% (0.99 2.89 16.05) = 61.320% kept HA LYS+ 38 - HN TRP 27 16.667% * 37.7247% (0.63 2.78 3.63) = 37.725% kept HD2 PRO 68 - HN TRP 27 16.667% * 0.5722% (0.18 0.14 0.02) = 0.572% HA LYS+ 38 - HN ALA 91 16.667% * 0.3254% (0.07 0.21 0.02) = 0.325% HA VAL 24 - HN ALA 91 16.667% * 0.0485% (0.11 0.02 0.02) = 0.048% HD2 PRO 68 - HN ALA 91 16.667% * 0.0090% (0.02 0.02 0.02) = 0.009% Peak 1131 (3.56, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 5.28, residual support = 89.3: O HB2 TRP 27 - HN TRP 27 16.667% * 99.8327% (0.99 10.0 5.29 89.43) = 99.833% kept HD2 PRO 93 - HN TRP 27 16.667% * 0.0998% (0.99 1.0 0.02 0.02) = 0.100% HA THR 77 - HN TRP 27 16.667% * 0.0401% (0.40 1.0 0.02 0.02) = 0.040% HD2 PRO 93 - HN ALA 91 16.667% * 0.0114% (0.11 1.0 0.02 0.02) = 0.011% HB2 TRP 27 - HN ALA 91 16.667% * 0.0114% (0.11 1.0 0.02 0.02) = 0.011% HA THR 77 - HN ALA 91 16.667% * 0.0046% (0.05 1.0 0.02 0.02) = 0.005% Peak 1132 (2.99, 7.73, 123.24 ppm): 12 chemical-shift based assignments, quality = 0.985, support = 5.32, residual support = 89.2: O HB3 TRP 27 - HN TRP 27 8.333% * 99.7307% (0.99 10.0 5.33 89.43) = 99.731% kept HB2 PHE 97 - HN TRP 27 8.333% * 0.0981% (0.97 1.0 0.02 0.02) = 0.098% QE LYS+ 106 - HN TRP 27 8.333% * 0.0492% (0.49 1.0 0.02 0.02) = 0.049% QE LYS+ 99 - HN TRP 27 8.333% * 0.0401% (0.40 1.0 0.02 0.02) = 0.040% HB3 PHE 60 - HN TRP 27 8.333% * 0.0281% (0.28 1.0 0.02 0.02) = 0.028% QE LYS+ 38 - HN TRP 27 8.333% * 0.0160% (0.16 1.0 0.02 3.63) = 0.016% HB3 TRP 27 - HN ALA 91 8.333% * 0.0114% (0.11 1.0 0.02 0.02) = 0.011% HB2 PHE 97 - HN ALA 91 8.333% * 0.0112% (0.11 1.0 0.02 0.02) = 0.011% QE LYS+ 106 - HN ALA 91 8.333% * 0.0056% (0.06 1.0 0.02 0.02) = 0.006% QE LYS+ 99 - HN ALA 91 8.333% * 0.0046% (0.05 1.0 0.02 0.02) = 0.005% HB3 PHE 60 - HN ALA 91 8.333% * 0.0032% (0.03 1.0 0.02 0.02) = 0.003% QE LYS+ 38 - HN ALA 91 8.333% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% Peak 1133 (2.60, 7.73, 123.24 ppm): 4 chemical-shift based assignments, quality = 0.397, support = 0.402, residual support = 0.334: HB3 CYS 21 - HN TRP 27 25.000% * 93.5313% (0.40 0.43 0.36) = 93.531% kept HG2 MET 96 - HN TRP 27 25.000% * 5.3586% (0.49 0.02 0.02) = 5.359% kept HG2 MET 96 - HN ALA 91 25.000% * 0.6117% (0.06 0.02 0.02) = 0.612% HB3 CYS 21 - HN ALA 91 25.000% * 0.4984% (0.05 0.02 0.02) = 0.498% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1135 (1.50, 7.73, 123.24 ppm): 14 chemical-shift based assignments, quality = 0.921, support = 4.03, residual support = 15.5: QG2 THR 26 - HN TRP 27 7.143% * 85.3332% (0.97 4.58 18.11) = 85.333% kept HB2 LYS+ 74 - HN TRP 27 7.143% * 12.5988% (0.73 0.91 0.11) = 12.599% kept QD LYS+ 66 - HN TRP 27 7.143% * 0.9776% (0.68 0.08 0.02) = 0.978% HD2 LYS+ 121 - HN TRP 27 7.143% * 0.3820% (1.00 0.02 0.02) = 0.382% HG2 LYS+ 65 - HN TRP 27 7.143% * 0.3820% (1.00 0.02 0.02) = 0.382% HB3 LYS+ 121 - HN TRP 27 7.143% * 0.0607% (0.16 0.02 0.02) = 0.061% HG LEU 104 - HN TRP 27 7.143% * 0.0607% (0.16 0.02 2.42) = 0.061% HD2 LYS+ 121 - HN ALA 91 7.143% * 0.0436% (0.11 0.02 0.02) = 0.044% HG2 LYS+ 65 - HN ALA 91 7.143% * 0.0436% (0.11 0.02 0.02) = 0.044% QG2 THR 26 - HN ALA 91 7.143% * 0.0425% (0.11 0.02 0.02) = 0.043% HB2 LYS+ 74 - HN ALA 91 7.143% * 0.0318% (0.08 0.02 0.02) = 0.032% QD LYS+ 66 - HN ALA 91 7.143% * 0.0297% (0.08 0.02 0.02) = 0.030% HG LEU 104 - HN ALA 91 7.143% * 0.0069% (0.02 0.02 0.02) = 0.007% HB3 LYS+ 121 - HN ALA 91 7.143% * 0.0069% (0.02 0.02 0.02) = 0.007% Peak 1136 (0.58, 7.73, 123.24 ppm): 12 chemical-shift based assignments, quality = 0.781, support = 1.89, residual support = 4.51: QD2 LEU 115 - HN TRP 27 8.333% * 23.0502% (0.73 2.34 7.42) = 23.050% kept QD2 LEU 80 - HN TRP 27 8.333% * 21.9964% (0.68 2.39 5.44) = 21.996% kept QD1 LEU 73 - HN TRP 27 8.333% * 20.4371% (1.00 1.51 2.08) = 20.437% kept QD1 LEU 63 - HN TRP 27 8.333% * 20.1203% (1.00 1.49 3.87) = 20.120% kept QD1 LEU 104 - HN TRP 27 8.333% * 10.0488% (0.40 1.87 2.42) = 10.049% kept QD2 LEU 63 - HN TRP 27 8.333% * 4.2146% (0.49 0.64 3.87) = 4.215% kept QD1 LEU 63 - HN ALA 91 8.333% * 0.0309% (0.11 0.02 0.02) = 0.031% QD1 LEU 73 - HN ALA 91 8.333% * 0.0309% (0.11 0.02 0.02) = 0.031% QD2 LEU 115 - HN ALA 91 8.333% * 0.0225% (0.08 0.02 0.02) = 0.022% QD2 LEU 80 - HN ALA 91 8.333% * 0.0210% (0.08 0.02 0.02) = 0.021% QD2 LEU 63 - HN ALA 91 8.333% * 0.0151% (0.06 0.02 0.02) = 0.015% QD1 LEU 104 - HN ALA 91 8.333% * 0.0123% (0.05 0.02 0.02) = 0.012% Peak 1137 (0.14, 7.73, 123.24 ppm): 4 chemical-shift based assignments, quality = 0.95, support = 0.853, residual support = 1.95: QG2 VAL 75 - HN TRP 27 25.000% * 59.6570% (0.92 1.01 2.17) = 59.657% kept QG2 VAL 42 - HN TRP 27 25.000% * 40.0622% (1.00 0.63 1.64) = 40.062% kept QG2 VAL 42 - HN ALA 91 25.000% * 0.1458% (0.11 0.02 0.02) = 0.146% QG2 VAL 75 - HN ALA 91 25.000% * 0.1350% (0.11 0.02 0.02) = 0.135% Peak 1139 (0.59, 10.20, 129.00 ppm): 7 chemical-shift based assignments, quality = 0.886, support = 1.16, residual support = 4.79: QD2 LEU 115 - HE1 TRP 27 14.286% * 28.1241% (1.00 1.45 7.42) = 28.124% kept QD2 LEU 80 - HE1 TRP 27 14.286% * 24.3694% (0.99 1.27 5.44) = 24.369% kept QD1 LEU 63 - HE1 TRP 27 14.286% * 18.0978% (0.81 1.14 3.87) = 18.098% kept QD1 LEU 104 - HE1 TRP 27 14.286% * 15.3363% (0.81 0.97 2.42) = 15.336% kept QD1 LEU 73 - HE1 TRP 27 14.286% * 10.2819% (0.81 0.65 2.08) = 10.282% kept QG1 VAL 83 - HE1 TRP 27 14.286% * 2.2736% (0.28 0.42 1.56) = 2.274% kept QD2 LEU 63 - HE1 TRP 27 14.286% * 1.5169% (0.16 0.49 3.87) = 1.517% kept Peak 1140 (0.05, 10.20, 129.00 ppm): 2 chemical-shift based assignments, quality = 0.75, support = 1.09, residual support = 6.23: QG2 VAL 43 - HE1 TRP 27 50.000% * 70.4897% (0.99 0.79 3.01) = 70.490% kept QD2 LEU 31 - HE1 TRP 27 50.000% * 29.5103% (0.18 1.78 13.94) = 29.510% kept Peak 1141 (2.19, 8.12, 116.43 ppm): 5 chemical-shift based assignments, quality = 0.832, support = 5.11, residual support = 25.1: HB2 GLU- 25 - HN THR 26 20.000% * 91.9221% (0.85 5.53 27.34) = 91.922% kept HB2 LYS+ 38 - HN THR 26 20.000% * 4.4007% (0.49 0.46 0.02) = 4.401% kept QG GLN 17 - HN THR 26 20.000% * 3.3603% (0.73 0.24 0.02) = 3.360% kept HB VAL 70 - HN THR 26 20.000% * 0.2454% (0.63 0.02 0.02) = 0.245% HB2 MET 96 - HN THR 26 20.000% * 0.0716% (0.18 0.02 0.02) = 0.072% Peak 1142 (2.02, 8.12, 116.43 ppm): 12 chemical-shift based assignments, quality = 0.49, support = 3.88, residual support = 22.3: HB3 GLU- 25 - HN THR 26 8.333% * 81.0124% (0.44 4.74 27.34) = 81.012% kept HB2 LYS+ 111 - HN THR 26 8.333% * 9.7514% (0.77 0.33 0.02) = 9.751% kept HB3 PRO 68 - HN THR 26 8.333% * 3.2363% (1.00 0.08 0.02) = 3.236% kept HG3 GLN 30 - HN THR 26 8.333% * 2.5834% (0.77 0.09 2.95) = 2.583% kept HB2 GLN 30 - HN THR 26 8.333% * 1.3278% (0.40 0.09 2.95) = 1.328% kept QB GLU- 15 - HN THR 26 8.333% * 0.5260% (0.68 0.02 0.02) = 0.526% HB2 GLN 17 - HN THR 26 8.333% * 0.5260% (0.68 0.02 0.02) = 0.526% HB3 GLU- 100 - HN THR 26 8.333% * 0.3771% (0.49 0.02 0.02) = 0.377% HB ILE 119 - HN THR 26 8.333% * 0.3073% (0.40 0.02 0.02) = 0.307% HB VAL 108 - HN THR 26 8.333% * 0.1426% (0.18 0.02 0.02) = 0.143% QB GLU- 114 - HN THR 26 8.333% * 0.1049% (0.14 0.02 0.02) = 0.105% HB2 ARG+ 54 - HN THR 26 8.333% * 0.1049% (0.14 0.02 0.02) = 0.105% Peak 1143 (1.50, 8.12, 116.43 ppm): 8 chemical-shift based assignments, quality = 0.917, support = 3.8, residual support = 23.7: QG2 THR 26 - HN THR 26 12.500% * 81.8264% (0.92 4.54 28.95) = 81.826% kept HB2 LYS+ 74 - HN THR 26 12.500% * 11.8344% (0.99 0.61 0.02) = 11.834% kept HG2 LYS+ 65 - HN THR 26 12.500% * 5.2938% (0.85 0.32 0.35) = 5.294% kept QD LYS+ 66 - HN THR 26 12.500% * 0.5155% (0.31 0.08 0.02) = 0.515% HD2 LYS+ 121 - HN THR 26 12.500% * 0.3013% (0.77 0.02 0.02) = 0.301% HB3 LEU 40 - HN THR 26 12.500% * 0.1230% (0.31 0.02 0.02) = 0.123% QB ALA 120 - HN THR 26 12.500% * 0.0528% (0.14 0.02 0.02) = 0.053% HG LEU 115 - HN THR 26 12.500% * 0.0528% (0.14 0.02 0.02) = 0.053% Peak 1144 (1.32, 8.12, 116.43 ppm): 9 chemical-shift based assignments, quality = 0.535, support = 0.46, residual support = 0.116: HB2 LEU 31 - HN THR 26 11.111% * 54.4863% (0.58 0.55 0.13) = 54.486% kept QG2 THR 77 - HN THR 26 11.111% * 30.8718% (0.35 0.51 0.14) = 30.872% kept HG2 LYS+ 38 - HN THR 26 11.111% * 3.3947% (1.00 0.02 0.02) = 3.395% kept HG2 LYS+ 99 - HN THR 26 11.111% * 3.2356% (0.95 0.02 0.02) = 3.236% kept QB ALA 88 - HN THR 26 11.111% * 2.7749% (0.81 0.02 0.02) = 2.775% kept HG2 LYS+ 111 - HN THR 26 11.111% * 2.3123% (0.68 0.02 0.02) = 2.312% kept HB3 LEU 80 - HN THR 26 11.111% * 1.3507% (0.40 0.02 0.02) = 1.351% kept HB2 LEU 63 - HN THR 26 11.111% * 0.9469% (0.28 0.02 0.02) = 0.947% HB3 ASP- 44 - HN THR 26 11.111% * 0.6266% (0.18 0.02 0.02) = 0.627% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1145 (3.76, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.89, support = 5.05, residual support = 28.7: O HA VAL 24 - HN GLU- 25 25.000% * 99.8831% (0.89 10.0 5.06 28.72) = 99.883% kept HD2 PRO 68 - HN GLU- 25 25.000% * 0.0546% (0.49 1.0 0.02 0.02) = 0.055% HA ALA 61 - HN GLU- 25 25.000% * 0.0312% (0.28 1.0 0.02 0.02) = 0.031% HA LYS+ 38 - HN GLU- 25 25.000% * 0.0312% (0.28 1.0 0.02 0.02) = 0.031% Peak 1146 (2.18, 8.78, 120.28 ppm): 6 chemical-shift based assignments, quality = 0.483, support = 5.82, residual support = 117.2: O HB2 GLU- 25 - HN GLU- 25 16.667% * 99.2249% (0.49 10.0 5.87 118.07) = 99.225% kept QG GLN 17 - HN GLU- 25 16.667% * 0.2719% (0.35 1.0 0.08 0.02) = 0.272% HB VAL 70 - HN GLU- 25 16.667% * 0.2325% (0.28 1.0 0.08 0.02) = 0.232% HB2 LYS+ 38 - HN GLU- 25 16.667% * 0.1743% (0.85 1.0 0.02 0.02) = 0.174% HG3 GLU- 29 - HN GLU- 25 16.667% * 0.0642% (0.31 1.0 0.02 0.02) = 0.064% HB2 GLN 90 - HN GLU- 25 16.667% * 0.0323% (0.16 1.0 0.02 0.02) = 0.032% Peak 1147 (2.02, 8.78, 120.28 ppm): 12 chemical-shift based assignments, quality = 0.435, support = 5.51, residual support = 116.6: O HB3 GLU- 25 - HN GLU- 25 8.333% * 98.7382% (0.44 10.0 5.58 118.07) = 98.738% kept HB3 PRO 68 - HN GLU- 25 8.333% * 0.2233% (1.00 1.0 0.02 0.02) = 0.223% HG3 GLN 30 - HN GLU- 25 8.333% * 0.1729% (0.77 1.0 0.02 0.02) = 0.173% HB2 LYS+ 111 - HN GLU- 25 8.333% * 0.1729% (0.77 1.0 0.02 0.02) = 0.173% HB2 GLN 17 - HN GLU- 25 8.333% * 0.1521% (0.68 1.0 0.02 0.02) = 0.152% QB GLU- 15 - HN GLU- 25 8.333% * 0.1521% (0.68 1.0 0.02 0.02) = 0.152% HB3 GLU- 100 - HN GLU- 25 8.333% * 0.1090% (0.49 1.0 0.02 0.02) = 0.109% HB2 GLN 30 - HN GLU- 25 8.333% * 0.0888% (0.40 1.0 0.02 0.02) = 0.089% HB ILE 119 - HN GLU- 25 8.333% * 0.0888% (0.40 1.0 0.02 0.02) = 0.089% HB VAL 108 - HN GLU- 25 8.333% * 0.0412% (0.18 1.0 0.02 0.02) = 0.041% QB GLU- 114 - HN GLU- 25 8.333% * 0.0303% (0.14 1.0 0.02 0.89) = 0.030% HB2 ARG+ 54 - HN GLU- 25 8.333% * 0.0303% (0.14 1.0 0.02 0.02) = 0.030% Peak 1148 (1.29, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.614, support = 2.41, residual support = 3.15: QG2 THR 23 - HN GLU- 25 25.000% * 72.3795% (0.63 2.99 4.27) = 72.379% kept QG2 THR 77 - HN GLU- 25 25.000% * 23.7085% (0.63 0.98 0.25) = 23.709% kept QB ALA 88 - HN GLU- 25 25.000% * 3.7248% (0.21 0.46 0.02) = 3.725% kept QB ALA 34 - HN GLU- 25 25.000% * 0.1872% (0.24 0.02 0.13) = 0.187% Peak 1149 (1.07, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.908, support = 3.79, residual support = 26.9: QG2 VAL 24 - HN GLU- 25 25.000% * 93.6492% (0.95 4.00 28.72) = 93.649% kept HG3 LYS+ 112 - HN GLU- 25 25.000% * 5.8284% (0.31 0.75 0.02) = 5.828% kept HG LEU 63 - HN GLU- 25 25.000% * 0.4020% (0.81 0.02 0.02) = 0.402% QG1 VAL 107 - HN GLU- 25 25.000% * 0.1203% (0.24 0.02 0.02) = 0.120% Peak 1150 (2.52, 8.78, 120.28 ppm): 5 chemical-shift based assignments, quality = 0.946, support = 5.01, residual support = 117.6: HG2 GLU- 25 - HN GLU- 25 20.000% * 99.6029% (0.95 5.03 118.07) = 99.603% kept HB3 PHE 95 - HN GLU- 25 20.000% * 0.1479% (0.35 0.02 0.02) = 0.148% HG2 GLN 116 - HN GLU- 25 20.000% * 0.1160% (0.28 0.02 0.02) = 0.116% HB3 TRP 87 - HN GLU- 25 20.000% * 0.0768% (0.18 0.02 0.02) = 0.077% HG3 GLN 116 - HN GLU- 25 20.000% * 0.0565% (0.14 0.02 0.02) = 0.056% Peak 1151 (3.76, 9.21, 123.27 ppm): 4 chemical-shift based assignments, quality = 0.89, support = 3.97, residual support = 56.7: O HA VAL 24 - HN VAL 24 25.000% * 99.8831% (0.89 10.0 3.97 56.79) = 99.883% kept HD2 PRO 68 - HN VAL 24 25.000% * 0.0546% (0.49 1.0 0.02 0.02) = 0.055% HA ALA 61 - HN VAL 24 25.000% * 0.0312% (0.28 1.0 0.02 0.02) = 0.031% HA LYS+ 38 - HN VAL 24 25.000% * 0.0312% (0.28 1.0 0.02 0.02) = 0.031% Peak 1152 (2.12, 9.21, 123.27 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 3.71, residual support = 56.6: O HB VAL 24 - HN VAL 24 25.000% * 99.7397% (0.92 10.0 3.72 56.79) = 99.740% kept HG3 GLU- 100 - HN VAL 24 25.000% * 0.1050% (0.97 1.0 0.02 0.02) = 0.105% QB GLN 32 - HN VAL 24 25.000% * 0.0924% (0.85 1.0 0.02 0.02) = 0.092% HB2 PRO 68 - HN VAL 24 25.000% * 0.0629% (0.58 1.0 0.02 0.02) = 0.063% Peak 1153 (1.29, 9.21, 123.27 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 3.67, residual support = 11.2: QG2 THR 23 - HN VAL 24 25.000% * 79.8152% (0.63 4.37 13.94) = 79.815% kept QG2 THR 77 - HN VAL 24 25.000% * 18.1847% (0.63 1.00 0.18) = 18.185% kept QB ALA 88 - HN VAL 24 25.000% * 1.8589% (0.21 0.30 0.02) = 1.859% kept QB ALA 34 - HN VAL 24 25.000% * 0.1413% (0.24 0.02 0.02) = 0.141% Peak 1154 (1.10, 9.21, 123.27 ppm): 3 chemical-shift based assignments, quality = 0.846, support = 3.68, residual support = 56.2: QG1 VAL 24 - HN VAL 24 33.333% * 98.9336% (0.85 3.72 56.79) = 98.934% kept QG1 VAL 107 - HN VAL 24 33.333% * 0.6144% (0.99 0.02 0.02) = 0.614% HD3 LYS+ 112 - HN VAL 24 33.333% * 0.4519% (0.73 0.02 0.02) = 0.452% Peak 1155 (0.58, 9.21, 123.27 ppm): 6 chemical-shift based assignments, quality = 0.79, support = 1.28, residual support = 1.46: QD1 LEU 63 - HN VAL 24 16.667% * 29.3539% (1.00 1.28 1.71) = 29.354% kept QD2 LEU 80 - HN VAL 24 16.667% * 23.9693% (0.68 1.54 2.27) = 23.969% kept QD2 LEU 63 - HN VAL 24 16.667% * 20.0580% (0.49 1.80 1.71) = 20.058% kept QD1 LEU 73 - HN VAL 24 16.667% * 16.5994% (1.00 0.73 0.42) = 16.599% kept QD2 LEU 115 - HN VAL 24 16.667% * 9.8376% (0.73 0.59 0.02) = 9.838% kept QD1 LEU 104 - HN VAL 24 16.667% * 0.1819% (0.40 0.02 0.02) = 0.182% Peak 1156 (3.49, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.948, support = 4.18, residual support = 14.0: HB2 HIS 22 - HN THR 23 50.000% * 81.9119% (0.99 4.80 16.70) = 81.912% kept HA LEU 63 - HN THR 23 50.000% * 18.0881% (0.77 1.36 1.70) = 18.088% kept Peak 1157 (3.23, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.678, support = 5.02, residual support = 16.7: HB3 HIS 22 - HN THR 23 50.000% * 99.8373% (0.68 5.03 16.70) = 99.837% kept HD3 ARG+ 54 - HN THR 23 50.000% * 0.1627% (0.28 0.02 0.02) = 0.163% Peak 1158 (2.58, 7.33, 104.59 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 2.08, residual support = 2.75: HB3 CYS 21 - HN THR 23 100.000% *100.0000% (1.00 2.08 2.75) = 100.000% kept Peak 1159 (1.49, 7.33, 104.59 ppm): 7 chemical-shift based assignments, quality = 0.603, support = 1.34, residual support = 5.48: QG2 THR 26 - HN THR 23 14.286% * 70.8834% (0.63 1.73 7.64) = 70.883% kept HG LEU 115 - HN THR 23 14.286% * 14.4140% (0.35 0.63 0.40) = 14.414% kept HB2 LYS+ 74 - HN THR 23 14.286% * 9.2084% (0.92 0.15 0.02) = 9.208% kept HG2 LYS+ 65 - HN THR 23 14.286% * 3.6464% (0.53 0.11 0.02) = 3.646% kept HB3 LEU 40 - HN THR 23 14.286% * 0.8173% (0.63 0.02 0.02) = 0.817% HD2 LYS+ 121 - HN THR 23 14.286% * 0.5711% (0.44 0.02 0.02) = 0.571% QB ALA 120 - HN THR 23 14.286% * 0.4594% (0.35 0.02 0.02) = 0.459% Peak 1160 (1.30, 7.33, 104.59 ppm): 4 chemical-shift based assignments, quality = 0.62, support = 2.39, residual support = 4.82: QG2 THR 77 - HN THR 23 25.000% * 43.5138% (0.95 1.51 0.69) = 43.514% kept QG2 THR 23 - HN THR 23 25.000% * 35.3386% (0.28 4.20 12.66) = 35.339% kept QB ALA 88 - HN THR 23 25.000% * 19.7213% (0.53 1.22 0.24) = 19.721% kept HG2 LYS+ 38 - HN THR 23 25.000% * 1.4263% (0.18 0.26 0.02) = 1.426% kept Peak 1161 (0.57, 7.33, 104.59 ppm): 6 chemical-shift based assignments, quality = 0.675, support = 1.72, residual support = 1.48: QD2 LEU 63 - HN THR 23 16.667% * 46.1577% (1.00 1.67 1.70) = 46.158% kept QD1 LEU 63 - HN THR 23 16.667% * 28.7205% (0.40 2.61 1.70) = 28.721% kept QD1 LEU 80 - HN THR 23 16.667% * 9.7463% (0.31 1.12 1.52) = 9.746% kept QD1 LEU 73 - HN THR 23 16.667% * 7.7743% (0.40 0.71 0.02) = 7.774% kept QG2 VAL 41 - HN THR 23 16.667% * 7.4267% (0.53 0.50 0.83) = 7.427% kept QD2 LEU 98 - HN THR 23 16.667% * 0.1746% (0.31 0.02 0.02) = 0.175% Peak 1162 (3.23, 9.10, 120.75 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 3.33, residual support = 33.1: O HB3 HIS 22 - HN HIS 22 50.000% * 99.9351% (0.97 10.0 3.33 33.07) = 99.935% kept HD3 ARG+ 54 - HN HIS 22 50.000% * 0.0649% (0.63 1.0 0.02 0.02) = 0.065% Peak 1163 (1.62, 7.87, 121.30 ppm): 12 chemical-shift based assignments, quality = 0.577, support = 2.56, residual support = 43.9: HG3 ARG+ 54 - HN ARG+ 54 8.333% * 32.8092% (0.15 6.39 133.22) = 32.809% kept QD LYS+ 33 - HN ARG+ 54 8.333% * 30.6337% (0.90 0.97 0.33) = 30.634% kept HD3 LYS+ 111 - HN ARG+ 54 8.333% * 13.9099% (0.67 0.59 0.02) = 13.910% kept HB3 LEU 123 - HN ARG+ 54 8.333% * 12.1977% (0.90 0.39 0.25) = 12.198% kept QB ALA 57 - HN ARG+ 54 8.333% * 7.7931% (0.63 0.35 0.21) = 7.793% kept HB3 LEU 123 - HN ASP- 62 8.333% * 2.1592% (0.14 0.43 0.02) = 2.159% kept HD2 LYS+ 74 - HN ARG+ 54 8.333% * 0.2044% (0.29 0.02 0.02) = 0.204% QD LYS+ 33 - HN ASP- 62 8.333% * 0.0998% (0.14 0.02 0.02) = 0.100% HD3 LYS+ 111 - HN ASP- 62 8.333% * 0.0746% (0.11 0.02 0.19) = 0.075% QB ALA 57 - HN ASP- 62 8.333% * 0.0698% (0.10 0.02 0.02) = 0.070% HD2 LYS+ 74 - HN ASP- 62 8.333% * 0.0324% (0.05 0.02 0.02) = 0.032% HG3 ARG+ 54 - HN ASP- 62 8.333% * 0.0163% (0.02 0.02 0.02) = 0.016% Peak 1165 (3.08, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.854, support = 3.35, residual support = 28.1: O HB2 CYS 21 - HN CYS 21 25.000% * 99.9451% (0.85 10.0 3.35 28.12) = 99.945% kept HB2 CYS 21 - HN ILE 119 25.000% * 0.0274% (0.23 1.0 0.02 0.02) = 0.027% QE LYS+ 111 - HN CYS 21 25.000% * 0.0215% (0.18 1.0 0.02 0.02) = 0.022% QE LYS+ 111 - HN ILE 119 25.000% * 0.0059% (0.05 1.0 0.02 0.02) = 0.006% Peak 1166 (2.60, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.396, support = 3.36, residual support = 28.1: O HB3 CYS 21 - HN CYS 21 25.000% * 99.8165% (0.40 10.0 3.36 28.12) = 99.816% kept HG2 MET 96 - HN CYS 21 25.000% * 0.1225% (0.49 1.0 0.02 0.02) = 0.123% HG2 MET 96 - HN ILE 119 25.000% * 0.0336% (0.13 1.0 0.02 0.02) = 0.034% HB3 CYS 21 - HN ILE 119 25.000% * 0.0274% (0.11 1.0 0.02 0.02) = 0.027% Peak 1167 (1.84, 7.93, 121.01 ppm): 20 chemical-shift based assignments, quality = 0.829, support = 1.02, residual support = 0.717: HB3 PRO 52 - HN CYS 21 5.000% * 24.9040% (1.00 1.14 0.88) = 24.904% kept HG LEU 123 - HN CYS 21 5.000% * 24.9040% (1.00 1.14 0.88) = 24.904% kept HG12 ILE 103 - HN CYS 21 5.000% * 18.2861% (0.89 0.94 0.58) = 18.286% kept HB VAL 41 - HN CYS 21 5.000% * 18.0128% (0.73 1.13 0.73) = 18.013% kept HB ILE 103 - HN CYS 21 5.000% * 5.2925% (0.24 0.99 0.58) = 5.292% kept QB LYS+ 66 - HN CYS 21 5.000% * 3.3716% (0.49 0.32 0.02) = 3.372% kept HG LEU 123 - HN ILE 119 5.000% * 2.2110% (0.27 0.37 0.51) = 2.211% kept HG12 ILE 103 - HN ILE 119 5.000% * 1.4735% (0.24 0.27 0.02) = 1.474% kept HB VAL 41 - HN ILE 119 5.000% * 0.8403% (0.20 0.19 0.02) = 0.840% HG3 PRO 68 - HN CYS 21 5.000% * 0.1220% (0.28 0.02 0.02) = 0.122% HB3 PRO 52 - HN ILE 119 5.000% * 0.1201% (0.27 0.02 0.02) = 0.120% HG2 ARG+ 54 - HN CYS 21 5.000% * 0.0932% (0.21 0.02 0.02) = 0.093% HG2 PRO 93 - HN CYS 21 5.000% * 0.0932% (0.21 0.02 0.02) = 0.093% HB3 ASP- 105 - HN CYS 21 5.000% * 0.0807% (0.18 0.02 0.02) = 0.081% QB LYS+ 66 - HN ILE 119 5.000% * 0.0586% (0.13 0.02 0.02) = 0.059% HG3 PRO 68 - HN ILE 119 5.000% * 0.0335% (0.08 0.02 0.02) = 0.033% HB ILE 103 - HN ILE 119 5.000% * 0.0294% (0.07 0.02 0.02) = 0.029% HG2 ARG+ 54 - HN ILE 119 5.000% * 0.0256% (0.06 0.02 0.02) = 0.026% HG2 PRO 93 - HN ILE 119 5.000% * 0.0256% (0.06 0.02 0.02) = 0.026% HB3 ASP- 105 - HN ILE 119 5.000% * 0.0222% (0.05 0.02 0.02) = 0.022% Peak 1168 (1.13, 7.93, 121.01 ppm): 12 chemical-shift based assignments, quality = 0.54, support = 4.41, residual support = 86.5: QB ALA 20 - HN CYS 21 8.333% * 49.7611% (0.73 3.41 14.22) = 49.761% kept HG13 ILE 119 - HN ILE 119 8.333% * 37.6708% (0.27 7.03 210.73) = 37.671% kept HB3 LEU 31 - HN CYS 21 8.333% * 7.6179% (0.95 0.40 0.02) = 7.618% kept HD3 LYS+ 112 - HN ILE 119 8.333% * 1.7970% (0.08 1.17 0.02) = 1.797% kept HG2 LYS+ 121 - HN CYS 21 8.333% * 1.2323% (0.28 0.22 0.02) = 1.232% kept QG1 VAL 24 - HN ILE 119 8.333% * 1.1289% (0.05 1.11 0.02) = 1.129% kept HG13 ILE 119 - HN CYS 21 8.333% * 0.3906% (0.97 0.02 0.02) = 0.391% HD3 LYS+ 112 - HN CYS 21 8.333% * 0.1118% (0.28 0.02 0.02) = 0.112% HB3 LEU 31 - HN ILE 119 8.333% * 0.1048% (0.26 0.02 0.02) = 0.105% QB ALA 20 - HN ILE 119 8.333% * 0.0801% (0.20 0.02 0.02) = 0.080% QG1 VAL 24 - HN CYS 21 8.333% * 0.0740% (0.18 0.02 0.02) = 0.074% HG2 LYS+ 121 - HN ILE 119 8.333% * 0.0307% (0.08 0.02 3.51) = 0.031% Peak 1169 (0.76, 7.93, 121.01 ppm): 14 chemical-shift based assignments, quality = 0.699, support = 0.835, residual support = 0.706: QG1 VAL 41 - HN CYS 21 7.143% * 51.5569% (0.97 0.86 0.73) = 51.557% kept QD2 LEU 73 - HN CYS 21 7.143% * 30.4781% (0.44 1.12 1.08) = 30.478% kept QG1 VAL 43 - HN CYS 21 7.143% * 5.6357% (0.81 0.11 0.02) = 5.636% kept QG1 VAL 41 - HN ILE 119 7.143% * 4.6999% (0.27 0.29 0.02) = 4.700% kept QD2 LEU 73 - HN ILE 119 7.143% * 4.6147% (0.12 0.62 0.02) = 4.615% kept HG LEU 31 - HN CYS 21 7.143% * 0.7767% (0.63 0.02 0.02) = 0.777% QG2 VAL 18 - HN CYS 21 7.143% * 0.6576% (0.53 0.02 0.02) = 0.658% QG2 THR 46 - HN CYS 21 7.143% * 0.4884% (0.40 0.02 0.02) = 0.488% QG1 VAL 43 - HN ILE 119 7.143% * 0.2754% (0.22 0.02 0.02) = 0.275% QD1 ILE 56 - HN CYS 21 7.143% * 0.2266% (0.18 0.02 0.02) = 0.227% HG LEU 31 - HN ILE 119 7.143% * 0.2132% (0.17 0.02 0.02) = 0.213% QG2 VAL 18 - HN ILE 119 7.143% * 0.1805% (0.15 0.02 0.02) = 0.181% QG2 THR 46 - HN ILE 119 7.143% * 0.1341% (0.11 0.02 0.02) = 0.134% QD1 ILE 56 - HN ILE 119 7.143% * 0.0622% (0.05 0.02 0.02) = 0.062% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1170 (0.57, 7.93, 121.01 ppm): 12 chemical-shift based assignments, quality = 0.607, support = 1.77, residual support = 2.45: QD2 LEU 63 - HN CYS 21 8.333% * 33.1796% (1.00 1.31 3.62) = 33.180% kept QD1 LEU 63 - HN CYS 21 8.333% * 24.1535% (0.40 2.40 3.62) = 24.153% kept QD1 LEU 73 - HN CYS 21 8.333% * 23.6689% (0.40 2.35 1.08) = 23.669% kept QG2 VAL 41 - HN CYS 21 8.333% * 15.8889% (0.53 1.17 0.73) = 15.889% kept QD1 LEU 73 - HN ILE 119 8.333% * 1.6190% (0.11 0.59 0.02) = 1.619% kept QG2 VAL 41 - HN ILE 119 8.333% * 0.7152% (0.15 0.19 0.02) = 0.715% QD1 LEU 63 - HN ILE 119 8.333% * 0.2283% (0.11 0.08 0.02) = 0.228% QD1 LEU 80 - HN CYS 21 8.333% * 0.1599% (0.31 0.02 0.02) = 0.160% QD2 LEU 98 - HN CYS 21 8.333% * 0.1599% (0.31 0.02 0.02) = 0.160% QD2 LEU 63 - HN ILE 119 8.333% * 0.1389% (0.27 0.02 0.02) = 0.139% QD2 LEU 98 - HN ILE 119 8.333% * 0.0439% (0.09 0.02 0.02) = 0.044% QD1 LEU 80 - HN ILE 119 8.333% * 0.0439% (0.09 0.02 0.02) = 0.044% Peak 1172 (8.16, 7.92, 121.27 ppm): 8 chemical-shift based assignments, quality = 0.343, support = 2.72, residual support = 25.0: HN GLN 116 - HN ILE 119 12.500% * 48.4394% (0.40 1.98 9.02) = 48.439% kept HN THR 118 - HN ILE 119 12.500% * 41.2585% (0.16 4.24 50.05) = 41.259% kept HN GLU- 114 - HN ILE 119 12.500% * 8.0836% (0.92 0.14 0.11) = 8.084% kept HN LEU 71 - HN ILE 119 12.500% * 1.1360% (0.92 0.02 0.14) = 1.136% kept HN THR 118 - HN CYS 21 12.500% * 0.3248% (0.04 0.12 0.02) = 0.325% HN GLU- 114 - HN CYS 21 12.500% * 0.3118% (0.25 0.02 0.02) = 0.312% HN LEU 71 - HN CYS 21 12.500% * 0.3118% (0.25 0.02 0.02) = 0.312% HN GLN 116 - HN CYS 21 12.500% * 0.1340% (0.11 0.02 0.02) = 0.134% Peak 1173 (7.23, 7.92, 121.27 ppm): 6 chemical-shift based assignments, quality = 0.864, support = 0.638, residual support = 3.25: HH2 TRP 87 - HN ILE 119 16.667% * 38.6341% (1.00 0.63 0.47) = 38.634% kept HN HIS 122 - HN ILE 119 16.667% * 38.4727% (1.00 0.62 3.90) = 38.473% kept HN PHE 59 - HN ILE 119 16.667% * 20.5082% (0.44 0.75 7.63) = 20.508% kept HN HIS 122 - HN CYS 21 16.667% * 1.8964% (0.27 0.11 0.02) = 1.896% kept HH2 TRP 87 - HN CYS 21 16.667% * 0.3387% (0.27 0.02 0.02) = 0.339% HN PHE 59 - HN CYS 21 16.667% * 0.1498% (0.12 0.02 0.02) = 0.150% Peak 1174 (8.71, 7.93, 121.01 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 3.16, residual support = 14.2: HN ALA 20 - HN CYS 21 50.000% * 99.8270% (0.92 3.17 14.22) = 99.827% kept HN ALA 20 - HN ILE 119 50.000% * 0.1730% (0.25 0.02 0.02) = 0.173% Peak 1175 (7.42, 7.92, 121.27 ppm): 8 chemical-shift based assignments, quality = 0.972, support = 4.39, residual support = 29.8: T HN ALA 120 - HN ILE 119 12.500% * 95.0391% (1.00 10.00 4.58 31.10) = 95.039% kept HE21 GLN 116 - HN ILE 119 12.500% * 2.1662% (0.73 1.00 0.63 9.02) = 2.166% kept T HN ALA 120 - HN CYS 21 12.500% * 1.5846% (0.27 10.00 0.12 0.02) = 1.585% kept HN ALA 124 - HN ILE 119 12.500% * 1.1112% (0.14 1.00 1.73 1.33) = 1.111% kept HN ALA 57 - HN ILE 119 12.500% * 0.0599% (0.63 1.00 0.02 0.02) = 0.060% HE21 GLN 116 - HN CYS 21 12.500% * 0.0189% (0.20 1.00 0.02 0.02) = 0.019% HN ALA 57 - HN CYS 21 12.500% * 0.0165% (0.17 1.00 0.02 0.02) = 0.016% HN ALA 124 - HN CYS 21 12.500% * 0.0035% (0.04 1.00 0.02 0.02) = 0.004% Peak 1176 (3.87, 7.92, 121.27 ppm): 12 chemical-shift based assignments, quality = 0.904, support = 3.53, residual support = 37.2: HB THR 118 - HN ILE 119 8.333% * 73.0150% (0.97 4.46 50.05) = 73.015% kept HA ILE 89 - HN ILE 119 8.333% * 18.3569% (0.85 1.28 3.32) = 18.357% kept HA ILE 89 - HN CYS 21 8.333% * 3.6496% (0.23 0.92 0.32) = 3.650% kept HB THR 39 - HN ILE 119 8.333% * 2.1964% (0.68 0.19 0.02) = 2.196% kept HB3 SER 37 - HN ILE 119 8.333% * 1.7049% (0.85 0.12 1.69) = 1.705% kept HB THR 118 - HN CYS 21 8.333% * 0.5454% (0.27 0.12 0.02) = 0.545% QB SER 13 - HN ILE 119 8.333% * 0.2124% (0.63 0.02 0.02) = 0.212% HB3 SER 82 - HN ILE 119 8.333% * 0.0936% (0.28 0.02 0.02) = 0.094% HB3 SER 37 - HN CYS 21 8.333% * 0.0790% (0.23 0.02 0.02) = 0.079% HB THR 39 - HN CYS 21 8.333% * 0.0627% (0.19 0.02 0.02) = 0.063% QB SER 13 - HN CYS 21 8.333% * 0.0583% (0.17 0.02 0.02) = 0.058% HB3 SER 82 - HN CYS 21 8.333% * 0.0257% (0.08 0.02 0.02) = 0.026% Peak 1178 (2.26, 7.92, 121.27 ppm): 18 chemical-shift based assignments, quality = 0.838, support = 6.65, residual support = 176.8: HG12 ILE 119 - HN ILE 119 5.556% * 83.9176% (0.85 7.86 210.73) = 83.918% kept QG GLN 90 - HN ILE 119 5.556% * 5.5232% (0.99 0.45 0.02) = 5.523% kept QG GLU- 14 - HN ILE 119 5.556% * 4.1681% (0.89 0.37 0.02) = 4.168% kept HB2 ASP- 44 - HN ILE 119 5.556% * 3.0148% (0.85 0.28 0.02) = 3.015% kept HG12 ILE 119 - HN CYS 21 5.556% * 1.5386% (0.23 0.53 0.02) = 1.539% kept QG GLN 90 - HN CYS 21 5.556% * 0.9020% (0.27 0.27 0.02) = 0.902% HB3 PHE 72 - HN ILE 119 5.556% * 0.2373% (0.95 0.02 2.61) = 0.237% QG GLU- 15 - HN ILE 119 5.556% * 0.1814% (0.73 0.02 0.02) = 0.181% HB2 GLU- 29 - HN ILE 119 5.556% * 0.0991% (0.40 0.02 0.02) = 0.099% HG3 MET 92 - HN ILE 119 5.556% * 0.0694% (0.28 0.02 0.02) = 0.069% HB3 PHE 72 - HN CYS 21 5.556% * 0.0651% (0.26 0.02 0.02) = 0.065% QG GLU- 14 - HN CYS 21 5.556% * 0.0611% (0.24 0.02 0.02) = 0.061% HB2 ASP- 44 - HN CYS 21 5.556% * 0.0586% (0.23 0.02 0.02) = 0.059% QB MET 11 - HN ILE 119 5.556% * 0.0531% (0.21 0.02 0.02) = 0.053% QG GLU- 15 - HN CYS 21 5.556% * 0.0498% (0.20 0.02 0.02) = 0.050% HB2 GLU- 29 - HN CYS 21 5.556% * 0.0272% (0.11 0.02 0.02) = 0.027% HG3 MET 92 - HN CYS 21 5.556% * 0.0191% (0.08 0.02 0.02) = 0.019% QB MET 11 - HN CYS 21 5.556% * 0.0146% (0.06 0.02 0.02) = 0.015% Peak 1179 (2.04, 7.92, 121.27 ppm): 22 chemical-shift based assignments, quality = 0.879, support = 7.71, residual support = 204.6: O HB ILE 119 - HN ILE 119 4.545% * 97.0883% (0.89 10.0 7.93 210.73) = 97.088% kept HB2 GLN 30 - HN ILE 119 4.545% * 1.5459% (0.89 1.0 0.32 0.78) = 1.546% kept HB ILE 119 - HN CYS 21 4.545% * 0.6937% (0.24 1.0 0.52 0.02) = 0.694% HG3 GLN 30 - HN ILE 119 4.545% * 0.1076% (0.99 1.0 0.02 0.78) = 0.108% HB3 GLU- 100 - HN ILE 119 4.545% * 0.1035% (0.95 1.0 0.02 0.02) = 0.104% HB VAL 108 - HN ILE 119 4.545% * 0.0687% (0.63 1.0 0.02 0.02) = 0.069% HB3 PRO 68 - HN ILE 119 4.545% * 0.0687% (0.63 1.0 0.02 0.02) = 0.069% HB2 ARG+ 54 - HN ILE 119 4.545% * 0.0582% (0.53 1.0 0.02 0.02) = 0.058% HB2 LYS+ 111 - HN ILE 119 4.545% * 0.0303% (0.28 1.0 0.02 0.02) = 0.030% HG3 GLN 30 - HN CYS 21 4.545% * 0.0295% (0.27 1.0 0.02 0.02) = 0.030% HB3 GLU- 100 - HN CYS 21 4.545% * 0.0284% (0.26 1.0 0.02 0.02) = 0.028% HB2 GLN 30 - HN CYS 21 4.545% * 0.0266% (0.24 1.0 0.02 0.02) = 0.027% HB2 PRO 93 - HN ILE 119 4.545% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% QB GLU- 15 - HN ILE 119 4.545% * 0.0232% (0.21 1.0 0.02 0.02) = 0.023% HB2 GLN 17 - HN ILE 119 4.545% * 0.0232% (0.21 1.0 0.02 0.97) = 0.023% HB VAL 108 - HN CYS 21 4.545% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HB3 PRO 68 - HN CYS 21 4.545% * 0.0189% (0.17 1.0 0.02 0.02) = 0.019% HB2 ARG+ 54 - HN CYS 21 4.545% * 0.0160% (0.15 1.0 0.02 0.02) = 0.016% HB2 LYS+ 111 - HN CYS 21 4.545% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% HB2 PRO 93 - HN CYS 21 4.545% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% QB GLU- 15 - HN CYS 21 4.545% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% HB2 GLN 17 - HN CYS 21 4.545% * 0.0064% (0.06 1.0 0.02 0.02) = 0.006% Peak 1180 (1.12, 7.92, 121.27 ppm): 12 chemical-shift based assignments, quality = 0.864, support = 6.04, residual support = 172.4: HG13 ILE 119 - HN ILE 119 8.333% * 81.4530% (0.99 7.03 210.73) = 81.453% kept HD3 LYS+ 112 - HN ILE 119 8.333% * 6.6945% (0.49 1.17 0.02) = 6.694% kept QB ALA 20 - HN CYS 21 8.333% * 5.3477% (0.13 3.41 14.22) = 5.348% kept QG1 VAL 24 - HN ILE 119 8.333% * 4.6293% (0.35 1.11 0.02) = 4.629% kept HB3 LEU 31 - HN CYS 21 8.333% * 1.2814% (0.27 0.40 0.02) = 1.281% kept HB3 LEU 31 - HN ILE 119 8.333% * 0.2340% (1.00 0.02 0.02) = 0.234% QB ALA 20 - HN ILE 119 8.333% * 0.1143% (0.49 0.02 0.02) = 0.114% HG2 LYS+ 121 - HN CYS 21 8.333% * 0.0962% (0.04 0.22 0.02) = 0.096% HG13 ILE 119 - HN CYS 21 8.333% * 0.0636% (0.27 0.02 0.02) = 0.064% HG2 LYS+ 121 - HN ILE 119 8.333% * 0.0318% (0.14 0.02 3.51) = 0.032% HD3 LYS+ 112 - HN CYS 21 8.333% * 0.0314% (0.13 0.02 0.02) = 0.031% QG1 VAL 24 - HN CYS 21 8.333% * 0.0229% (0.10 0.02 0.02) = 0.023% Peak 1181 (0.99, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.61, support = 0.561, residual support = 0.249: QG2 ILE 103 - HN ILE 119 10.000% * 28.4588% (0.77 0.70 0.02) = 28.459% kept HB VAL 75 - HN ILE 119 10.000% * 22.5639% (0.68 0.63 0.02) = 22.564% kept HG3 LYS+ 74 - HN ILE 119 10.000% * 12.6388% (0.63 0.38 0.14) = 12.639% kept QD2 LEU 40 - HN ILE 119 10.000% * 11.8816% (0.92 0.24 0.02) = 11.882% kept HB VAL 75 - HN CYS 21 10.000% * 9.1089% (0.19 0.93 1.53) = 9.109% kept HG3 LYS+ 74 - HN CYS 21 10.000% * 5.2489% (0.17 0.58 1.10) = 5.249% kept QD2 LEU 40 - HN CYS 21 10.000% * 4.5527% (0.25 0.34 0.02) = 4.553% kept QG2 ILE 103 - HN CYS 21 10.000% * 3.4720% (0.21 0.31 0.58) = 3.472% kept QD1 LEU 67 - HN CYS 21 10.000% * 1.1359% (0.24 0.09 0.02) = 1.136% kept QD1 LEU 67 - HN ILE 119 10.000% * 0.9385% (0.89 0.02 0.02) = 0.938% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1182 (0.21, 7.92, 121.27 ppm): 2 chemical-shift based assignments, quality = 0.437, support = 5.63, residual support = 49.5: QG2 THR 118 - HN ILE 119 50.000% * 98.8138% (0.44 5.70 50.05) = 98.814% kept QG2 THR 118 - HN CYS 21 50.000% * 1.1862% (0.12 0.25 0.02) = 1.186% kept Peak 1183 (1.46, 7.92, 121.27 ppm): 18 chemical-shift based assignments, quality = 0.747, support = 2.16, residual support = 14.9: QB ALA 120 - HN ILE 119 5.556% * 46.8245% (0.73 3.78 31.10) = 46.825% kept HB3 LEU 115 - HN ILE 119 5.556% * 17.4206% (0.92 1.11 1.26) = 17.421% kept HG LEU 40 - HN ILE 119 5.556% * 10.1243% (0.92 0.64 0.02) = 10.124% kept HG LEU 115 - HN ILE 119 5.556% * 10.0167% (0.73 0.81 1.26) = 10.017% kept HG LEU 67 - HN ILE 119 5.556% * 5.6564% (0.99 0.34 0.02) = 5.656% kept HB3 LEU 40 - HN ILE 119 5.556% * 2.7282% (0.44 0.36 0.02) = 2.728% kept HG LEU 73 - HN ILE 119 5.556% * 1.9207% (0.35 0.32 0.02) = 1.921% kept HG LEU 40 - HN CYS 21 5.556% * 1.4734% (0.25 0.34 0.02) = 1.473% kept HB3 LEU 40 - HN CYS 21 5.556% * 1.0982% (0.12 0.53 0.02) = 1.098% kept HG LEU 73 - HN CYS 21 5.556% * 0.8102% (0.10 0.49 1.08) = 0.810% QB ALA 120 - HN CYS 21 5.556% * 0.4126% (0.20 0.12 0.02) = 0.413% HG LEU 67 - HN CYS 21 5.556% * 0.4073% (0.27 0.09 0.02) = 0.407% QG LYS+ 66 - HN ILE 119 5.556% * 0.3334% (0.18 0.11 0.02) = 0.333% QG LYS+ 66 - HN CYS 21 5.556% * 0.2293% (0.05 0.27 0.02) = 0.229% HG2 LYS+ 102 - HN CYS 21 5.556% * 0.2241% (0.13 0.10 0.13) = 0.224% HG2 LYS+ 102 - HN ILE 119 5.556% * 0.1659% (0.49 0.02 0.02) = 0.166% HB3 LEU 115 - HN CYS 21 5.556% * 0.0864% (0.25 0.02 0.02) = 0.086% HG LEU 115 - HN CYS 21 5.556% * 0.0679% (0.20 0.02 0.02) = 0.068% Peak 1184 (0.13, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.903, support = 0.955, residual support = 1.08: QG2 VAL 75 - HN CYS 21 25.000% * 70.1852% (1.00 1.17 1.53) = 70.185% kept QG2 VAL 42 - HN CYS 21 25.000% * 18.9238% (0.92 0.34 0.02) = 18.924% kept QG2 VAL 75 - HN ILE 119 25.000% * 10.5866% (0.27 0.64 0.02) = 10.587% kept QG2 VAL 42 - HN ILE 119 25.000% * 0.3044% (0.25 0.02 0.02) = 0.304% Peak 1185 (1.15, 8.71, 131.46 ppm): 6 chemical-shift based assignments, quality = 0.765, support = 3.53, residual support = 14.3: O QB ALA 20 - HN ALA 20 16.667% * 99.1864% (0.77 10.0 3.56 14.41) = 99.186% kept HG13 ILE 119 - HN ALA 20 16.667% * 0.5114% (0.21 1.0 0.37 0.02) = 0.511% HG2 LYS+ 121 - HN ALA 20 16.667% * 0.1281% (1.00 1.0 0.02 0.02) = 0.128% QG2 VAL 107 - HN ALA 20 16.667% * 0.1099% (0.85 1.0 0.02 0.02) = 0.110% HG13 ILE 103 - HN ALA 20 16.667% * 0.0405% (0.31 1.0 0.02 0.02) = 0.040% HB3 LEU 31 - HN ALA 20 16.667% * 0.0237% (0.18 1.0 0.02 0.02) = 0.024% Peak 1186 (0.69, 8.71, 131.46 ppm): 2 chemical-shift based assignments, quality = 0.984, support = 1.81, residual support = 17.4: QG2 ILE 19 - HN ALA 20 50.000% * 99.6505% (0.99 1.82 17.46) = 99.650% kept QD1 LEU 98 - HN ALA 20 50.000% * 0.3495% (0.31 0.02 0.02) = 0.350% Peak 1187 (2.00, 8.93, 131.32 ppm): 10 chemical-shift based assignments, quality = 0.933, support = 4.5, residual support = 97.1: O HB ILE 19 - HN ILE 19 10.000% * 95.5039% (0.95 10.0 4.66 101.63) = 95.504% kept HB2 GLN 17 - HN ILE 19 10.000% * 4.0533% (0.63 1.0 1.28 0.02) = 4.053% kept QB GLU- 114 - HN ILE 19 10.000% * 0.0992% (0.99 1.0 0.02 0.02) = 0.099% HG2 PRO 68 - HN ILE 19 10.000% * 0.0896% (0.89 1.0 0.02 0.02) = 0.090% HB3 GLU- 25 - HN ILE 19 10.000% * 0.0859% (0.85 1.0 0.02 0.02) = 0.086% QB GLU- 15 - HN ILE 19 10.000% * 0.0634% (0.63 1.0 0.02 0.02) = 0.063% HB2 LYS+ 111 - HN ILE 19 10.000% * 0.0537% (0.53 1.0 0.02 0.02) = 0.054% HB3 PRO 68 - HN ILE 19 10.000% * 0.0214% (0.21 1.0 0.02 0.02) = 0.021% HG3 PRO 58 - HN ILE 19 10.000% * 0.0159% (0.16 1.0 0.02 0.02) = 0.016% HB2 LEU 115 - HN ILE 19 10.000% * 0.0136% (0.14 1.0 0.02 0.02) = 0.014% Peak 1188 (1.43, 8.93, 131.32 ppm): 11 chemical-shift based assignments, quality = 0.666, support = 3.69, residual support = 66.2: HG12 ILE 19 - HN ILE 19 9.091% * 63.6379% (0.63 4.97 101.63) = 63.638% kept HG LEU 73 - HN ILE 19 9.091% * 27.1729% (0.73 1.84 5.71) = 27.173% kept QG LYS+ 66 - HN ILE 19 9.091% * 7.3284% (0.92 0.39 0.02) = 7.328% kept HB3 LEU 67 - HN ILE 19 9.091% * 0.4061% (1.00 0.02 0.02) = 0.406% QB ALA 61 - HN ILE 19 9.091% * 0.3858% (0.95 0.02 0.02) = 0.386% HG LEU 80 - HN ILE 19 9.091% * 0.3134% (0.77 0.02 0.02) = 0.313% QB ALA 110 - HN ILE 19 9.091% * 0.2949% (0.73 0.02 0.02) = 0.295% HG2 LYS+ 102 - HN ILE 19 9.091% * 0.2365% (0.58 0.02 3.31) = 0.236% HG LEU 40 - HN ILE 19 9.091% * 0.0747% (0.18 0.02 0.02) = 0.075% HB3 LEU 115 - HN ILE 19 9.091% * 0.0747% (0.18 0.02 0.02) = 0.075% HB2 LEU 80 - HN ILE 19 9.091% * 0.0747% (0.18 0.02 0.02) = 0.075% Peak 1189 (1.24, 8.93, 131.32 ppm): 10 chemical-shift based assignments, quality = 0.934, support = 3.46, residual support = 69.9: HG13 ILE 19 - HN ILE 19 10.000% * 67.9096% (0.95 4.66 101.63) = 67.910% kept HG LEU 71 - HN ILE 19 10.000% * 18.0292% (0.97 1.21 2.27) = 18.029% kept HG2 LYS+ 74 - HN ILE 19 10.000% * 9.0234% (0.99 0.60 5.32) = 9.023% kept QB ALA 91 - HN ILE 19 10.000% * 4.2957% (0.58 0.48 0.02) = 4.296% kept HG3 LYS+ 99 - HN ILE 19 10.000% * 0.3056% (1.00 0.02 0.02) = 0.306% QG2 THR 39 - HN ILE 19 10.000% * 0.1785% (0.58 0.02 0.02) = 0.179% HG3 LYS+ 38 - HN ILE 19 10.000% * 0.0852% (0.28 0.02 0.02) = 0.085% HG12 ILE 89 - HN ILE 19 10.000% * 0.0748% (0.24 0.02 0.02) = 0.075% HG3 LYS+ 111 - HN ILE 19 10.000% * 0.0564% (0.18 0.02 0.02) = 0.056% QG2 ILE 56 - HN ILE 19 10.000% * 0.0415% (0.14 0.02 0.02) = 0.041% Peak 1190 (0.84, 8.93, 131.32 ppm): 6 chemical-shift based assignments, quality = 0.346, support = 2.6, residual support = 9.88: QG1 VAL 18 - HN ILE 19 16.667% * 48.3472% (0.21 4.28 18.58) = 48.347% kept QD1 LEU 71 - HN ILE 19 16.667% * 28.8776% (0.58 0.93 2.27) = 28.878% kept QG1 VAL 70 - HN ILE 19 16.667% * 20.9489% (0.31 1.25 1.17) = 20.949% kept HB3 LEU 104 - HN ILE 19 16.667% * 1.0110% (0.95 0.02 0.02) = 1.011% kept QD1 LEU 123 - HN ILE 19 16.667% * 0.6196% (0.58 0.02 0.02) = 0.620% QD2 LEU 123 - HN ILE 19 16.667% * 0.1958% (0.18 0.02 0.02) = 0.196% Peak 1191 (0.75, 8.93, 131.32 ppm): 7 chemical-shift based assignments, quality = 0.776, support = 4.05, residual support = 40.8: QG2 VAL 18 - HN ILE 19 14.286% * 53.6910% (0.95 4.27 18.58) = 53.691% kept QD1 ILE 19 - HN ILE 19 14.286% * 30.0228% (0.44 5.14 101.63) = 30.023% kept QG2 THR 46 - HN ILE 19 14.286% * 15.6684% (0.85 1.38 1.78) = 15.668% kept QG1 VAL 43 - HN ILE 19 14.286% * 0.2615% (0.99 0.02 0.02) = 0.261% QG1 VAL 41 - HN ILE 19 14.286% * 0.2264% (0.85 0.02 0.02) = 0.226% QD2 LEU 104 - HN ILE 19 14.286% * 0.0736% (0.28 0.02 0.02) = 0.074% HG LEU 31 - HN ILE 19 14.286% * 0.0563% (0.21 0.02 0.02) = 0.056% Peak 1192 (1.43, 8.71, 131.46 ppm): 11 chemical-shift based assignments, quality = 0.656, support = 3.64, residual support = 13.9: HG12 ILE 19 - HN ALA 20 9.091% * 79.5507% (0.63 4.50 17.46) = 79.551% kept HG LEU 73 - HN ALA 20 9.091% * 8.9905% (0.73 0.44 0.02) = 8.991% kept QG LYS+ 66 - HN ALA 20 9.091% * 7.0302% (0.92 0.27 0.02) = 7.030% kept HB3 LEU 67 - HN ALA 20 9.091% * 2.4216% (1.00 0.09 0.02) = 2.422% kept QB ALA 61 - HN ALA 20 9.091% * 0.5323% (0.95 0.02 0.02) = 0.532% HG LEU 80 - HN ALA 20 9.091% * 0.4323% (0.77 0.02 0.02) = 0.432% QB ALA 110 - HN ALA 20 9.091% * 0.4068% (0.73 0.02 0.02) = 0.407% HG2 LYS+ 102 - HN ALA 20 9.091% * 0.3262% (0.58 0.02 0.92) = 0.326% HG LEU 40 - HN ALA 20 9.091% * 0.1031% (0.18 0.02 0.02) = 0.103% HB3 LEU 115 - HN ALA 20 9.091% * 0.1031% (0.18 0.02 0.02) = 0.103% HB2 LEU 80 - HN ALA 20 9.091% * 0.1031% (0.18 0.02 0.02) = 0.103% Peak 1193 (1.43, 7.93, 121.01 ppm): 22 chemical-shift based assignments, quality = 0.601, support = 0.891, residual support = 0.349: HG12 ILE 19 - HN CYS 21 4.545% * 45.5206% (0.63 1.53 0.28) = 45.521% kept HG LEU 73 - HN CYS 21 4.545% * 16.6966% (0.73 0.49 1.08) = 16.697% kept QG LYS+ 66 - HN CYS 21 4.545% * 11.5776% (0.92 0.27 0.02) = 11.578% kept HB3 LEU 67 - HN ILE 119 4.545% * 4.3437% (0.27 0.34 0.02) = 4.344% kept HB3 LEU 67 - HN CYS 21 4.545% * 4.1509% (1.00 0.09 0.02) = 4.151% kept HG LEU 73 - HN ILE 119 4.545% * 2.9821% (0.20 0.32 0.02) = 2.982% kept HG LEU 40 - HN CYS 21 4.545% * 2.9553% (0.18 0.34 0.02) = 2.955% kept HG2 LYS+ 102 - HN CYS 21 4.545% * 2.6981% (0.58 0.10 0.13) = 2.698% kept HB3 LEU 115 - HN ILE 119 4.545% * 2.6327% (0.05 1.11 1.26) = 2.633% kept HG LEU 40 - HN ILE 119 4.545% * 1.5300% (0.05 0.64 0.02) = 1.530% kept QG LYS+ 66 - HN ILE 119 4.545% * 1.2680% (0.25 0.11 0.02) = 1.268% kept QB ALA 61 - HN CYS 21 4.545% * 0.8944% (0.95 0.02 0.02) = 0.894% HG LEU 80 - HN CYS 21 4.545% * 0.7264% (0.77 0.02 0.02) = 0.726% QB ALA 110 - HN CYS 21 4.545% * 0.6836% (0.73 0.02 0.02) = 0.684% QB ALA 61 - HN ILE 119 4.545% * 0.2455% (0.26 0.02 0.02) = 0.245% HG LEU 80 - HN ILE 119 4.545% * 0.1994% (0.21 0.02 0.02) = 0.199% QB ALA 110 - HN ILE 119 4.545% * 0.1876% (0.20 0.02 0.02) = 0.188% HB3 LEU 115 - HN CYS 21 4.545% * 0.1732% (0.18 0.02 0.02) = 0.173% HB2 LEU 80 - HN CYS 21 4.545% * 0.1732% (0.18 0.02 0.02) = 0.173% HG12 ILE 19 - HN ILE 119 4.545% * 0.1630% (0.17 0.02 0.02) = 0.163% HG2 LYS+ 102 - HN ILE 119 4.545% * 0.1505% (0.16 0.02 0.02) = 0.150% HB2 LEU 80 - HN ILE 119 4.545% * 0.0475% (0.05 0.02 0.02) = 0.048% Peak 1194 (2.19, 7.45, 112.50 ppm): 5 chemical-shift based assignments, quality = 0.406, support = 2.82, residual support = 68.1: O QG GLN 17 - HE21 GLN 17 20.000% * 98.9097% (0.41 10.0 2.85 68.89) = 98.910% kept HB VAL 70 - HE21 GLN 17 20.000% * 0.8330% (0.34 1.0 0.20 0.83) = 0.833% HB2 GLU- 25 - HE21 GLN 17 20.000% * 0.1233% (0.51 1.0 0.02 0.02) = 0.123% HB2 LYS+ 38 - HE21 GLN 17 20.000% * 0.1071% (0.45 1.0 0.02 0.02) = 0.107% HG3 GLU- 29 - HE21 GLN 17 20.000% * 0.0269% (0.11 1.0 0.02 0.02) = 0.027% Peak 1195 (8.26, 7.69, 115.83 ppm): 2 chemical-shift based assignments, quality = 0.63, support = 5.85, residual support = 45.9: T HN VAL 18 - HN GLN 17 50.000% * 99.9078% (0.63 10.00 5.86 45.96) = 99.908% kept HN SER 13 - HN GLN 17 50.000% * 0.0922% (0.58 1.00 0.02 0.02) = 0.092% Peak 1196 (7.68, 8.27, 122.56 ppm): 3 chemical-shift based assignments, quality = 0.849, support = 5.67, residual support = 44.4: T HN GLN 17 - HN VAL 18 33.333% * 96.4789% (0.85 10.00 5.86 45.96) = 96.479% kept HD21 ASN 69 - HN VAL 18 33.333% * 3.4143% (0.95 1.00 0.63 0.56) = 3.414% kept HN TRP 87 - HN VAL 18 33.333% * 0.1069% (0.94 1.00 0.02 0.02) = 0.107% Peak 1197 (8.46, 8.93, 131.32 ppm): 3 chemical-shift based assignments, quality = 0.454, support = 2.6, residual support = 4.03: T HN LYS+ 74 - HN ILE 19 33.333% * 67.8986% (0.28 10.00 2.93 5.32) = 67.899% kept HN THR 46 - HN ILE 19 33.333% * 22.1373% (0.77 1.00 2.35 1.78) = 22.137% kept HN MET 92 - HN ILE 19 33.333% * 9.9641% (0.95 1.00 0.86 0.22) = 9.964% kept Peak 1198 (8.11, 9.21, 123.27 ppm): 2 chemical-shift based assignments, quality = 0.813, support = 2.78, residual support = 2.77: HN THR 26 - HN VAL 24 50.000% * 99.7856% (0.81 2.79 2.78) = 99.786% kept HN CYS 53 - HN VAL 24 50.000% * 0.2144% (0.24 0.02 0.02) = 0.214% Peak 1199 (7.33, 9.21, 123.27 ppm): 6 chemical-shift based assignments, quality = 0.937, support = 3.04, residual support = 13.9: HN THR 23 - HN VAL 24 16.667% * 91.7090% (0.97 3.29 13.94) = 91.709% kept HE3 TRP 27 - HN VAL 24 16.667% * 6.8250% (0.68 0.35 16.05) = 6.825% kept QE PHE 95 - HN VAL 24 16.667% * 0.5668% (0.99 0.02 0.02) = 0.567% QD PHE 55 - HN VAL 24 16.667% * 0.4430% (0.77 0.02 0.02) = 0.443% HN LEU 67 - HN VAL 24 16.667% * 0.3343% (0.58 0.02 0.02) = 0.334% HD1 TRP 49 - HN VAL 24 16.667% * 0.1220% (0.21 0.02 0.02) = 0.122% Peak 1200 (10.58, 10.20, 129.00 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 0.75, residual support = 5.71: HE1 TRP 87 - HE1 TRP 27 100.000% *100.0000% (0.40 0.75 5.71) = 100.000% kept Peak 1202 (8.08, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.959, support = 3.41, residual support = 11.2: T HN ALA 34 - HN ASN 35 25.000% * 85.8767% (0.97 10.00 3.91 13.07) = 85.877% kept T HN LEU 80 - HN ASN 35 25.000% * 14.0325% (0.89 10.00 0.36 0.02) = 14.032% kept HN CYS 53 - HN ASN 35 25.000% * 0.0558% (0.63 1.00 0.02 0.02) = 0.056% HN GLN 32 - HN ASN 35 25.000% * 0.0351% (0.40 1.00 0.02 0.02) = 0.035% Peak 1203 (7.91, 7.76, 119.36 ppm): 4 chemical-shift based assignments, quality = 0.965, support = 4.05, residual support = 12.5: T HN SER 37 - HN GLU- 36 25.000% * 92.4595% (0.97 10.00 4.31 13.43) = 92.459% kept HN ILE 89 - HN GLU- 36 25.000% * 5.1715% (0.99 1.00 1.10 0.71) = 5.171% kept HN ILE 119 - HN GLU- 36 25.000% * 1.9186% (0.81 1.00 0.49 0.02) = 1.919% kept HN CYS 21 - HN GLU- 36 25.000% * 0.4504% (0.28 1.00 0.34 0.02) = 0.450% Peak 1204 (7.88, 7.75, 114.55 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.02, residual support = 21.1: T HN LYS+ 38 - HN THR 39 25.000% * 98.8442% (1.00 10.00 5.07 21.30) = 98.844% kept HN ARG+ 54 - HN THR 39 25.000% * 1.1191% (0.58 1.00 0.39 0.16) = 1.119% kept HN ASP- 62 - HN THR 39 25.000% * 0.0211% (0.21 1.00 0.02 0.02) = 0.021% HN LEU 31 - HN THR 39 25.000% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% Peak 1205 (9.33, 9.16, 125.94 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 3.8, residual support = 10.3: HN MET 96 - HN VAL 43 100.000% *100.0000% (0.68 3.80 10.33) = 100.000% kept Peak 1206 (8.97, 8.78, 123.55 ppm): 3 chemical-shift based assignments, quality = 0.349, support = 2.08, residual support = 1.49: HN LEU 73 - HN ASP- 44 33.333% * 53.9183% (0.24 2.82 2.50) = 53.918% kept HN VAL 42 - HN ASP- 44 33.333% * 32.1365% (0.24 1.68 0.43) = 32.136% kept HN LYS+ 106 - HN ASP- 44 33.333% * 13.9452% (1.00 0.18 0.02) = 13.945% kept Peak 1207 (8.97, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.694, support = 3.86, residual support = 10.2: HN LYS+ 106 - HN VAL 43 33.333% * 59.7842% (1.00 3.04 1.87) = 59.784% kept HN VAL 42 - HN VAL 43 33.333% * 29.4757% (0.24 6.12 30.05) = 29.476% kept HN LEU 73 - HN VAL 43 33.333% * 10.7400% (0.24 2.23 2.21) = 10.740% kept Peak 1208 (7.58, 8.78, 123.55 ppm): 5 chemical-shift based assignments, quality = 0.947, support = 0.473, residual support = 0.271: HN LYS+ 111 - HN ASP- 44 20.000% * 80.1711% (1.00 0.57 0.33) = 80.171% kept HE21 GLN 32 - HN ASP- 44 20.000% * 13.5469% (0.73 0.13 0.02) = 13.547% kept HN ALA 84 - HN ASP- 44 20.000% * 2.8337% (1.00 0.02 0.02) = 2.834% kept HN ILE 56 - HN ASP- 44 20.000% * 1.9301% (0.68 0.02 0.02) = 1.930% kept HN LEU 63 - HN ASP- 44 20.000% * 1.5183% (0.53 0.02 0.02) = 1.518% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1209 (7.26, 8.78, 123.55 ppm): 4 chemical-shift based assignments, quality = 0.701, support = 0.629, residual support = 0.521: QE PHE 59 - HN ASP- 44 25.000% * 47.6248% (0.89 0.66 0.67) = 47.625% kept QD PHE 60 - HN ASP- 44 25.000% * 22.5800% (0.28 1.01 0.60) = 22.580% kept HN LYS+ 66 - HN ASP- 44 25.000% * 19.9605% (0.85 0.29 0.02) = 19.961% kept HN PHE 59 - HN ASP- 44 25.000% * 9.8347% (0.44 0.28 0.67) = 9.835% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1210 (7.68, 7.86, 120.86 ppm): 3 chemical-shift based assignments, quality = 0.707, support = 0.066, residual support = 0.05: HD21 ASN 69 - HN ASP- 62 33.333% * 71.3933% (0.74 0.08 0.02) = 71.393% kept HN TRP 87 - HN ASP- 62 33.333% * 16.1242% (0.70 0.02 0.21) = 16.124% kept HN GLN 17 - HN ASP- 62 33.333% * 12.4825% (0.54 0.02 0.02) = 12.482% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1211 (7.57, 7.86, 120.86 ppm): 5 chemical-shift based assignments, quality = 0.268, support = 3.38, residual support = 15.6: T HN ILE 56 - HN ASP- 62 20.000% * 49.1862% (0.31 10.00 1.43 0.64) = 49.186% kept T HN LEU 63 - HN ASP- 62 20.000% * 47.1899% (0.21 10.00 5.65 32.45) = 47.190% kept HN LYS+ 111 - HN ASP- 62 20.000% * 2.6745% (0.70 1.00 0.34 0.19) = 2.675% kept HE21 GLN 32 - HN ASP- 62 20.000% * 0.7917% (0.84 1.00 0.08 0.02) = 0.792% HN ALA 84 - HN ASP- 62 20.000% * 0.1577% (0.70 1.00 0.02 0.11) = 0.158% Peak 1212 (8.75, 8.95, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.9, support = 0.248, residual support = 0.222: HN PHE 45 - HN LEU 73 50.000% * 92.2468% (0.89 0.27 0.24) = 92.247% kept HN ALA 110 - HN LEU 73 50.000% * 7.7532% (1.00 0.02 0.02) = 7.753% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1213 (8.51, 9.10, 128.88 ppm): 4 chemical-shift based assignments, quality = 0.503, support = 2.98, residual support = 8.39: HN ASP- 78 - HN ASP- 76 25.000% * 73.1351% (0.63 2.68 5.31) = 73.135% kept HN VAL 75 - HN ASP- 76 25.000% * 26.4550% (0.16 3.86 17.04) = 26.455% kept HN LYS+ 112 - HN ASP- 76 25.000% * 0.2728% (0.31 0.02 0.02) = 0.273% HN MET 11 - HN ASP- 76 25.000% * 0.1371% (0.16 0.02 0.02) = 0.137% Peak 1214 (7.57, 8.49, 124.18 ppm): 5 chemical-shift based assignments, quality = 0.801, support = 4.56, residual support = 25.2: T HN LYS+ 111 - HN LYS+ 112 20.000% * 97.7930% (0.81 10.00 4.66 25.68) = 97.793% kept HN ILE 56 - HN LYS+ 112 20.000% * 1.1786% (0.35 1.00 0.55 4.19) = 1.179% kept HN LEU 63 - HN LYS+ 112 20.000% * 0.8140% (0.24 1.00 0.56 0.23) = 0.814% HE21 GLN 32 - HN LYS+ 112 20.000% * 0.1166% (0.97 1.00 0.02 0.02) = 0.117% HN ALA 84 - HN LYS+ 112 20.000% * 0.0978% (0.81 1.00 0.02 0.02) = 0.098% Peak 1215 (7.30, 8.17, 116.99 ppm): 4 chemical-shift based assignments, quality = 0.371, support = 1.17, residual support = 0.298: HE3 TRP 27 - HN GLN 116 25.000% * 35.9189% (0.21 1.52 0.36) = 35.919% kept QD PHE 55 - HN GLN 116 25.000% * 31.1841% (0.16 1.78 0.47) = 31.184% kept HN LYS+ 81 - HN GLN 116 25.000% * 17.7778% (0.92 0.17 0.02) = 17.778% kept QD PHE 60 - HN GLN 116 25.000% * 15.1192% (0.53 0.26 0.12) = 15.119% kept Peak 1216 (3.69, 7.43, 118.69 ppm): 6 chemical-shift based assignments, quality = 0.7, support = 5.55, residual support = 26.5: O HA ILE 119 - HN ALA 120 16.667% * 85.0257% (0.73 10.0 5.90 31.10) = 85.026% kept HA THR 118 - HN ALA 120 16.667% * 13.2957% (0.56 1.0 4.04 0.36) = 13.296% kept HB2 TRP 49 - HN ALA 120 16.667% * 1.1451% (0.65 1.0 0.30 0.02) = 1.145% kept HA ALA 84 - HN ALA 120 16.667% * 0.4755% (0.43 1.0 0.19 0.02) = 0.475% HA VAL 75 - HN ALA 120 16.667% * 0.0290% (0.25 1.0 0.02 0.02) = 0.029% HA2 GLY 109 - HN ALA 120 16.667% * 0.0290% (0.25 1.0 0.02 0.02) = 0.029% Peak 1217 (4.24, 7.43, 118.69 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 1.06, residual support = 2.14: HA SER 117 - HN ALA 120 25.000% * 61.2141% (0.89 0.75 2.25) = 61.214% kept HA ALA 57 - HN ALA 120 25.000% * 37.0246% (0.25 1.63 2.04) = 37.025% kept HB THR 26 - HN ALA 120 25.000% * 1.1119% (0.61 0.02 0.02) = 1.112% kept HA ASP- 62 - HN ALA 120 25.000% * 0.6495% (0.35 0.02 0.02) = 0.649% Peak 1218 (2.48, 7.41, 111.00 ppm): 3 chemical-shift based assignments, quality = 0.581, support = 4.02, residual support = 86.2: O HG3 GLN 116 - HE21 GLN 116 33.333% * 99.8688% (0.58 10.0 4.03 86.36) = 99.869% kept HB3 TRP 87 - HE21 GLN 116 33.333% * 0.0835% (0.49 1.0 0.02 0.02) = 0.083% HG2 GLU- 36 - HE21 GLN 116 33.333% * 0.0477% (0.28 1.0 0.02 0.02) = 0.048% Peak 1219 (1.45, 7.41, 111.00 ppm): 10 chemical-shift based assignments, quality = 0.726, support = 3.61, residual support = 54.1: HB3 LEU 115 - HE21 GLN 116 10.000% * 64.9090% (0.92 3.73 60.56) = 64.909% kept HG LEU 115 - HE21 GLN 116 10.000% * 24.3742% (0.28 4.66 60.56) = 24.374% kept QB ALA 120 - HE21 GLN 116 10.000% * 4.3783% (0.28 0.84 0.02) = 4.378% kept HG LEU 40 - HE21 GLN 116 10.000% * 4.0986% (0.92 0.24 0.02) = 4.099% kept HG LEU 67 - HE21 GLN 116 10.000% * 1.1525% (0.81 0.08 0.02) = 1.153% kept HG2 LYS+ 102 - HE21 GLN 116 10.000% * 0.3476% (0.92 0.02 0.02) = 0.348% HG LEU 73 - HE21 GLN 116 10.000% * 0.3069% (0.81 0.02 1.43) = 0.307% QG LYS+ 66 - HE21 GLN 116 10.000% * 0.2193% (0.58 0.02 0.02) = 0.219% HB3 LEU 67 - HE21 GLN 116 10.000% * 0.1335% (0.35 0.02 0.02) = 0.134% QB ALA 61 - HE21 GLN 116 10.000% * 0.0800% (0.21 0.02 0.02) = 0.080% Peak 1220 (2.02, 8.66, 115.11 ppm): 10 chemical-shift based assignments, quality = 0.749, support = 0.697, residual support = 0.28: QB GLU- 114 - HN SER 117 10.000% * 31.8240% (0.49 1.20 0.18) = 31.824% kept HB3 GLU- 25 - HN SER 117 10.000% * 31.5258% (0.89 0.65 0.61) = 31.526% kept HB2 GLN 17 - HN SER 117 10.000% * 17.1012% (1.00 0.32 0.15) = 17.101% kept HB3 PRO 68 - HN SER 117 10.000% * 15.1681% (0.77 0.36 0.02) = 15.168% kept HG2 PRO 68 - HN SER 117 10.000% * 1.2881% (0.31 0.08 0.02) = 1.288% kept HB2 LYS+ 111 - HN SER 117 10.000% * 1.0853% (1.00 0.02 0.02) = 1.085% kept QB GLU- 15 - HN SER 117 10.000% * 1.0853% (1.00 0.02 0.02) = 1.085% kept HB ILE 19 - HN SER 117 10.000% * 0.4318% (0.40 0.02 0.02) = 0.432% HG3 GLN 30 - HN SER 117 10.000% * 0.3430% (0.31 0.02 0.02) = 0.343% HB3 GLU- 100 - HN SER 117 10.000% * 0.1473% (0.14 0.02 0.02) = 0.147% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1221 (1.46, 8.66, 115.11 ppm): 9 chemical-shift based assignments, quality = 0.83, support = 2.7, residual support = 2.45: HB3 LEU 115 - HN SER 117 11.111% * 44.6852% (0.89 3.22 2.68) = 44.685% kept HG LEU 115 - HN SER 117 11.111% * 36.8005% (0.77 3.06 2.68) = 36.800% kept QB ALA 120 - HN SER 117 11.111% * 11.8499% (0.77 0.98 2.25) = 11.850% kept HG LEU 40 - HN SER 117 11.111% * 4.8572% (0.89 0.35 0.02) = 4.857% kept HG LEU 67 - HN SER 117 11.111% * 1.3702% (0.97 0.09 0.02) = 1.370% kept HB3 LEU 40 - HN SER 117 11.111% * 0.1518% (0.49 0.02 0.02) = 0.152% HG2 LYS+ 102 - HN SER 117 11.111% * 0.1375% (0.44 0.02 0.02) = 0.137% HG LEU 73 - HN SER 117 11.111% * 0.0983% (0.31 0.02 0.02) = 0.098% QG LYS+ 66 - HN SER 117 11.111% * 0.0494% (0.16 0.02 0.02) = 0.049% Peak 1222 (2.99, 9.38, 128.74 ppm): 5 chemical-shift based assignments, quality = 0.885, support = 2.32, residual support = 4.42: HB2 PHE 97 - HN LEU 104 20.000% * 50.3950% (1.00 3.02 6.15) = 50.395% kept QE LYS+ 106 - HN LEU 104 20.000% * 22.8182% (0.68 2.01 1.45) = 22.818% kept HB3 TRP 27 - HN LEU 104 20.000% * 21.8784% (0.99 1.32 2.42) = 21.878% kept QE LYS+ 99 - HN LEU 104 20.000% * 4.7607% (0.24 1.17 9.59) = 4.761% kept HB3 PHE 60 - HN LEU 104 20.000% * 0.1477% (0.44 0.02 0.02) = 0.148% Peak 1223 (1.83, 9.38, 128.74 ppm): 9 chemical-shift based assignments, quality = 0.886, support = 5.15, residual support = 28.8: HG12 ILE 103 - HN LEU 104 11.111% * 84.8814% (0.95 5.85 33.92) = 84.881% kept QB LYS+ 102 - HN LEU 104 11.111% * 9.5680% (0.35 1.77 0.12) = 9.568% kept HB VAL 41 - HN LEU 104 11.111% * 4.5227% (1.00 0.30 0.02) = 4.523% kept QB LYS+ 66 - HN LEU 104 11.111% * 0.2817% (0.92 0.02 0.02) = 0.282% HB3 PRO 52 - HN LEU 104 11.111% * 0.2072% (0.68 0.02 0.02) = 0.207% HG LEU 123 - HN LEU 104 11.111% * 0.2072% (0.68 0.02 0.02) = 0.207% HG2 PRO 93 - HN LEU 104 11.111% * 0.1925% (0.63 0.02 0.02) = 0.193% QB LYS+ 65 - HN LEU 104 11.111% * 0.0744% (0.24 0.02 0.02) = 0.074% HB2 LEU 71 - HN LEU 104 11.111% * 0.0649% (0.21 0.02 0.02) = 0.065% Peak 1224 (1.41, 8.62, 122.05 ppm): 11 chemical-shift based assignments, quality = 0.854, support = 0.6, residual support = 0.907: HG12 ILE 19 - HN ILE 103 9.091% * 52.2061% (0.81 0.77 1.72) = 52.206% kept HB2 LEU 80 - HN ILE 103 9.091% * 40.0671% (0.97 0.49 0.02) = 40.067% kept HD3 LYS+ 121 - HN ILE 103 9.091% * 1.4272% (0.85 0.02 0.02) = 1.427% kept HB3 LYS+ 74 - HN ILE 103 9.091% * 1.3603% (0.81 0.02 0.02) = 1.360% kept QB ALA 110 - HN ILE 103 9.091% * 1.2123% (0.73 0.02 0.12) = 1.212% kept HG LEU 80 - HN ILE 103 9.091% * 1.1335% (0.68 0.02 0.02) = 1.134% kept QB LEU 98 - HN ILE 103 9.091% * 0.8126% (0.49 0.02 7.15) = 0.813% QB ALA 61 - HN ILE 103 9.091% * 0.7359% (0.44 0.02 0.13) = 0.736% HB3 LEU 67 - HN ILE 103 9.091% * 0.4642% (0.28 0.02 0.02) = 0.464% QB ALA 12 - HN ILE 103 9.091% * 0.3548% (0.21 0.02 0.02) = 0.355% QG LYS+ 66 - HN ILE 103 9.091% * 0.2259% (0.14 0.02 0.02) = 0.226% Peak 1225 (0.73, 8.62, 122.05 ppm): 6 chemical-shift based assignments, quality = 0.92, support = 4.05, residual support = 26.3: QD2 LEU 104 - HN ILE 103 16.667% * 75.4225% (1.00 4.95 33.92) = 75.422% kept QD1 ILE 19 - HN ILE 103 16.667% * 14.7689% (0.95 1.02 1.72) = 14.769% kept QD1 LEU 98 - HN ILE 103 16.667% * 6.4782% (0.18 2.31 7.15) = 6.478% kept QG2 VAL 18 - HN ILE 103 16.667% * 3.0881% (0.44 0.46 0.02) = 3.088% kept QG2 THR 46 - HN ILE 103 16.667% * 0.1775% (0.58 0.02 0.02) = 0.178% QG1 VAL 43 - HN ILE 103 16.667% * 0.0648% (0.21 0.02 0.02) = 0.065% Peak 1226 (0.58, 9.38, 128.74 ppm): 6 chemical-shift based assignments, quality = 0.4, support = 5.2, residual support = 134.3: QD1 LEU 104 - HN LEU 104 16.667% * 75.7660% (0.28 6.79 177.31) = 75.766% kept QD1 LEU 63 - HN LEU 104 16.667% * 10.0389% (0.95 0.26 0.02) = 10.039% kept QD2 LEU 63 - HN LEU 104 16.667% * 9.1153% (0.63 0.36 0.02) = 9.115% kept QD1 LEU 73 - HN LEU 104 16.667% * 2.9163% (0.95 0.08 0.02) = 2.916% kept QD2 LEU 80 - HN LEU 104 16.667% * 1.6959% (0.53 0.08 0.02) = 1.696% kept QD2 LEU 115 - HN LEU 104 16.667% * 0.4676% (0.58 0.02 0.02) = 0.468% Peak 1227 (0.71, 7.80, 116.22 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 4.11, residual support = 8.08: QD1 LEU 98 - HN ASP- 105 50.000% * 99.7688% (0.92 4.12 8.10) = 99.769% kept QG2 ILE 19 - HN ASP- 105 50.000% * 0.2312% (0.44 0.02 0.02) = 0.231% Peak 1228 (1.38, 8.97, 118.18 ppm): 11 chemical-shift based assignments, quality = 0.898, support = 2.26, residual support = 51.9: HG3 LYS+ 106 - HN LYS+ 106 9.091% * 51.5463% (0.85 3.36 99.98) = 51.546% kept HB VAL 42 - HN LYS+ 106 9.091% * 26.3172% (1.00 1.47 1.06) = 26.317% kept HB3 LEU 73 - HN LYS+ 106 9.091% * 14.7366% (1.00 0.82 0.74) = 14.737% kept HG3 LYS+ 102 - HN LYS+ 106 9.091% * 2.2327% (0.99 0.13 0.02) = 2.233% kept HG3 LYS+ 33 - HN LYS+ 106 9.091% * 2.1207% (0.97 0.12 0.02) = 2.121% kept QB LEU 98 - HN LYS+ 106 9.091% * 1.9977% (0.28 0.40 0.02) = 1.998% kept HG3 LYS+ 65 - HN LYS+ 106 9.091% * 0.3573% (1.00 0.02 0.02) = 0.357% HB2 LYS+ 112 - HN LYS+ 106 9.091% * 0.3406% (0.95 0.02 0.02) = 0.341% QB ALA 12 - HN LYS+ 106 9.091% * 0.2087% (0.58 0.02 0.02) = 0.209% HB3 PRO 93 - HN LYS+ 106 9.091% * 0.0762% (0.21 0.02 0.02) = 0.076% QB ALA 84 - HN LYS+ 106 9.091% * 0.0660% (0.18 0.02 0.02) = 0.066% Peak 1229 (1.08, 8.97, 118.18 ppm): 4 chemical-shift based assignments, quality = 0.405, support = 2.38, residual support = 20.4: QG1 VAL 107 - HN LYS+ 106 25.000% * 96.7604% (0.40 2.45 21.07) = 96.760% kept QG2 VAL 24 - HN LYS+ 106 25.000% * 1.6198% (0.81 0.02 0.02) = 1.620% kept HG LEU 63 - HN LYS+ 106 25.000% * 1.2540% (0.63 0.02 0.02) = 1.254% kept HG3 LYS+ 112 - HN LYS+ 106 25.000% * 0.3658% (0.18 0.02 0.02) = 0.366% Peak 1230 (0.90, 9.14, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.928, support = 3.7, residual support = 52.2: QG1 VAL 108 - HN VAL 108 33.333% * 92.6192% (0.97 3.93 56.36) = 92.619% kept HB3 LEU 63 - HN VAL 108 33.333% * 7.2089% (0.40 0.75 0.02) = 7.209% kept QD1 LEU 40 - HN VAL 108 33.333% * 0.1719% (0.35 0.02 0.02) = 0.172% Peak 1231 (0.63, 7.72, 122.85 ppm): 4 chemical-shift based assignments, quality = 0.862, support = 2.29, residual support = 4.02: QG2 ILE 89 - HN ALA 91 25.000% * 80.8954% (1.00 2.56 4.78) = 80.895% kept QG1 VAL 83 - HN ALA 91 25.000% * 11.6833% (0.40 0.93 0.65) = 11.683% kept QG2 ILE 89 - HN TRP 27 25.000% * 4.7209% (0.11 1.31 0.73) = 4.721% kept QG1 VAL 83 - HN TRP 27 25.000% * 2.7003% (0.05 1.89 1.56) = 2.700% kept Peak 1232 (1.26, 10.11, 128.03 ppm): 10 chemical-shift based assignments, quality = 0.49, support = 3.5, residual support = 18.5: HG3 LYS+ 99 - HN GLU- 100 10.000% * 68.3864% (0.31 4.96 26.98) = 68.386% kept HG3 LYS+ 38 - HN GLU- 100 10.000% * 19.6646% (0.99 0.45 0.30) = 19.665% kept QG2 THR 39 - HN GLU- 100 10.000% * 8.6992% (0.92 0.22 0.02) = 8.699% kept QB ALA 91 - HN GLU- 100 10.000% * 0.8089% (0.92 0.02 0.02) = 0.809% QG2 ILE 56 - HN GLU- 100 10.000% * 0.7491% (0.85 0.02 0.02) = 0.749% QB ALA 34 - HN GLU- 100 10.000% * 0.5527% (0.63 0.02 0.02) = 0.553% HG13 ILE 19 - HN GLU- 100 10.000% * 0.4680% (0.53 0.02 0.02) = 0.468% HG2 LYS+ 74 - HN GLU- 100 10.000% * 0.2436% (0.28 0.02 0.02) = 0.244% HG LEU 71 - HN GLU- 100 10.000% * 0.2137% (0.24 0.02 0.02) = 0.214% QG2 THR 23 - HN GLU- 100 10.000% * 0.2137% (0.24 0.02 0.02) = 0.214% Peak 1233 (1.37, 7.29, 121.74 ppm): 12 chemical-shift based assignments, quality = 0.777, support = 1.09, residual support = 2.37: HG3 LYS+ 33 - HN LYS+ 81 8.333% * 40.3483% (0.73 1.61 5.24) = 40.348% kept HB3 LEU 73 - HN LYS+ 81 8.333% * 31.2345% (0.89 1.02 0.69) = 31.235% kept HG3 LYS+ 65 - HN LYS+ 81 8.333% * 16.3986% (0.81 0.58 0.24) = 16.399% kept HB VAL 42 - HN LYS+ 81 8.333% * 8.8255% (0.81 0.31 0.02) = 8.825% kept HG3 LYS+ 106 - HN LYS+ 81 8.333% * 0.6900% (1.00 0.02 0.02) = 0.690% HB2 LYS+ 112 - HN LYS+ 81 8.333% * 0.6704% (0.97 0.02 0.02) = 0.670% HG3 LYS+ 102 - HN LYS+ 81 8.333% * 0.6369% (0.92 0.02 0.02) = 0.637% HB3 PRO 93 - HN LYS+ 81 8.333% * 0.3359% (0.49 0.02 0.02) = 0.336% QB ALA 84 - HN LYS+ 81 8.333% * 0.3041% (0.44 0.02 0.24) = 0.304% HG LEU 98 - HN LYS+ 81 8.333% * 0.2173% (0.31 0.02 0.02) = 0.217% QB ALA 12 - HN LYS+ 81 8.333% * 0.1918% (0.28 0.02 0.02) = 0.192% QB ALA 124 - HN LYS+ 81 8.333% * 0.1466% (0.21 0.02 0.02) = 0.147% Peak 1234 (0.08, 7.91, 118.70 ppm): 3 chemical-shift based assignments, quality = 0.891, support = 4.9, residual support = 156.5: QD1 ILE 89 - HN ILE 89 33.333% * 83.2878% (0.89 5.74 187.71) = 83.288% kept QG2 VAL 83 - HN ILE 89 33.333% * 12.4182% (1.00 0.77 1.65) = 12.418% kept QD2 LEU 31 - HN ILE 89 33.333% * 4.2940% (0.58 0.45 0.02) = 4.294% kept Peak 1235 (1.34, 7.91, 118.70 ppm): 12 chemical-shift based assignments, quality = 0.367, support = 2.57, residual support = 6.52: QB ALA 88 - HN ILE 89 8.333% * 41.6966% (0.21 4.11 4.55) = 41.697% kept QB ALA 84 - HN ILE 89 8.333% * 34.6218% (0.31 2.30 13.06) = 34.622% kept HG2 LYS+ 111 - HN ILE 89 8.333% * 16.1429% (0.97 0.35 0.61) = 16.143% kept HG2 LYS+ 38 - HN ILE 89 8.333% * 2.1414% (0.58 0.08 0.02) = 2.141% kept HB2 LEU 31 - HN ILE 89 8.333% * 0.9508% (1.00 0.02 0.02) = 0.951% HB3 LEU 80 - HN ILE 89 8.333% * 0.9268% (0.97 0.02 0.02) = 0.927% HB2 LEU 63 - HN ILE 89 8.333% * 0.8500% (0.89 0.02 0.02) = 0.850% HB3 ASP- 44 - HN ILE 89 8.333% * 0.7360% (0.77 0.02 0.33) = 0.736% HG2 LYS+ 99 - HN ILE 89 8.333% * 0.6926% (0.73 0.02 0.02) = 0.693% QB ALA 124 - HN ILE 89 8.333% * 0.5554% (0.58 0.02 0.02) = 0.555% HG LEU 98 - HN ILE 89 8.333% * 0.4204% (0.44 0.02 0.02) = 0.420% HB3 PRO 93 - HN ILE 89 8.333% * 0.2652% (0.28 0.02 0.02) = 0.265% Peak 1236 (1.25, 8.62, 127.39 ppm): 8 chemical-shift based assignments, quality = 0.718, support = 2.63, residual support = 20.4: QB ALA 91 - HN GLN 90 12.500% * 91.7935% (0.77 2.85 22.21) = 91.794% kept QG2 ILE 56 - HN GLN 90 12.500% * 4.1334% (0.24 0.41 0.93) = 4.133% kept HG13 ILE 19 - HN GLN 90 12.500% * 0.8344% (1.00 0.02 0.02) = 0.834% HG3 LYS+ 99 - HN GLN 90 12.500% * 0.7702% (0.92 0.02 0.02) = 0.770% HG2 LYS+ 74 - HN GLN 90 12.500% * 0.7436% (0.89 0.02 0.02) = 0.744% HG LEU 71 - HN GLN 90 12.500% * 0.7133% (0.85 0.02 0.02) = 0.713% QG2 THR 39 - HN GLN 90 12.500% * 0.6438% (0.77 0.02 0.02) = 0.644% HG3 LYS+ 38 - HN GLN 90 12.500% * 0.3678% (0.44 0.02 0.02) = 0.368% Peak 1238 (2.15, 8.62, 127.39 ppm): 5 chemical-shift based assignments, quality = 0.628, support = 5.35, residual support = 75.0: O HB2 GLN 90 - HN GLN 90 20.000% * 99.4921% (0.63 10.0 5.37 75.42) = 99.492% kept QB GLU- 36 - HN GLN 90 20.000% * 0.1572% (1.00 1.0 0.02 0.02) = 0.157% HB3 GLU- 79 - HN GLN 90 20.000% * 0.1533% (0.97 1.0 0.02 0.02) = 0.153% HB3 GLU- 29 - HN GLN 90 20.000% * 0.1348% (0.85 1.0 0.02 0.02) = 0.135% HG3 GLU- 29 - HN GLN 90 20.000% * 0.0626% (0.40 1.0 0.02 0.02) = 0.063% Peak 1239 (0.77, 9.36, 127.59 ppm): 6 chemical-shift based assignments, quality = 0.803, support = 4.02, residual support = 21.0: QD2 LEU 73 - HN PHE 72 16.667% * 68.7083% (0.81 5.26 30.03) = 68.708% kept HG LEU 31 - HN PHE 72 16.667% * 20.5074% (0.95 1.35 1.21) = 20.507% kept QD1 ILE 56 - HN PHE 72 16.667% * 9.9641% (0.49 1.28 0.83) = 9.964% kept QG1 VAL 43 - HN PHE 72 16.667% * 0.5342% (0.44 0.08 0.02) = 0.534% QG1 VAL 41 - HN PHE 72 16.667% * 0.2177% (0.68 0.02 0.02) = 0.218% QG2 VAL 18 - HN PHE 72 16.667% * 0.0682% (0.21 0.02 0.02) = 0.068% Peak 1240 (0.40, 9.36, 127.59 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.2, residual support = 43.0: QB ALA 64 - HN PHE 72 100.000% *100.0000% (1.00 3.20 43.05) = 100.000% kept Peak 1241 (2.00, 8.48, 121.30 ppm): 10 chemical-shift based assignments, quality = 0.677, support = 2.27, residual support = 5.06: HB ILE 19 - HN LYS+ 74 10.000% * 95.1002% (0.71 2.38 5.32) = 95.100% kept HB2 GLN 17 - HN LYS+ 74 10.000% * 1.5628% (0.34 0.08 0.02) = 1.563% kept QB GLU- 114 - HN LYS+ 74 10.000% * 0.7978% (0.71 0.02 0.02) = 0.798% HG2 PRO 68 - HN LYS+ 74 10.000% * 0.7776% (0.69 0.02 0.02) = 0.778% HB3 GLU- 25 - HN LYS+ 74 10.000% * 0.5811% (0.51 0.02 0.02) = 0.581% QB GLU- 15 - HN LYS+ 74 10.000% * 0.3896% (0.34 0.02 0.02) = 0.390% HB2 LYS+ 111 - HN LYS+ 74 10.000% * 0.3174% (0.28 0.02 0.02) = 0.317% HG3 PRO 58 - HN LYS+ 74 10.000% * 0.1952% (0.17 0.02 0.02) = 0.195% HB2 LEU 115 - HN LYS+ 74 10.000% * 0.1701% (0.15 0.02 0.02) = 0.170% HB3 PRO 68 - HN LYS+ 74 10.000% * 0.1083% (0.10 0.02 0.02) = 0.108% Peak 1242 (0.60, 8.48, 121.30 ppm): 6 chemical-shift based assignments, quality = 0.37, support = 2.84, residual support = 12.1: QD1 LEU 73 - HN LYS+ 74 16.667% * 64.6229% (0.28 4.08 18.59) = 64.623% kept QD1 LEU 104 - HN LYS+ 74 16.667% * 22.0784% (0.71 0.55 0.18) = 22.078% kept QD1 LEU 63 - HN LYS+ 74 16.667% * 11.4224% (0.28 0.72 0.10) = 11.422% kept QD2 LEU 80 - HN LYS+ 74 16.667% * 0.6829% (0.61 0.02 0.02) = 0.683% QD2 LEU 115 - HN LYS+ 74 16.667% * 0.6509% (0.58 0.02 0.02) = 0.651% QG1 VAL 83 - HN LYS+ 74 16.667% * 0.5424% (0.48 0.02 0.02) = 0.542% Peak 1243 (1.33, 8.52, 119.25 ppm): 10 chemical-shift based assignments, quality = 0.683, support = 2.1, residual support = 6.15: HG2 LYS+ 111 - HN ASP- 78 10.000% * 45.0257% (0.85 1.92 1.28) = 45.026% kept QG2 THR 77 - HN ASP- 78 10.000% * 25.5146% (0.21 4.39 20.68) = 25.515% kept HG2 LYS+ 38 - HN ASP- 78 10.000% * 10.0223% (0.97 0.38 0.02) = 10.022% kept HG2 LYS+ 99 - HN ASP- 78 10.000% * 9.8553% (1.00 0.36 0.02) = 9.855% kept HB3 LEU 80 - HN ASP- 78 10.000% * 8.2998% (0.58 0.52 3.49) = 8.300% kept HB2 LEU 31 - HN ASP- 78 10.000% * 0.4225% (0.77 0.02 0.02) = 0.422% QB ALA 88 - HN ASP- 78 10.000% * 0.3453% (0.63 0.02 0.02) = 0.345% HB2 LEU 63 - HN ASP- 78 10.000% * 0.2413% (0.44 0.02 0.02) = 0.241% HB3 ASP- 44 - HN ASP- 78 10.000% * 0.1724% (0.31 0.02 0.02) = 0.172% QB ALA 124 - HN ASP- 78 10.000% * 0.1007% (0.18 0.02 0.02) = 0.101% Peak 1244 (0.36, 8.52, 119.25 ppm): 3 chemical-shift based assignments, quality = 0.91, support = 1.21, residual support = 1.13: HG2 LYS+ 112 - HN ASP- 78 33.333% * 53.2029% (0.89 1.66 2.00) = 53.203% kept QB ALA 47 - HN ASP- 78 33.333% * 23.7012% (0.89 0.74 0.15) = 23.701% kept QG1 VAL 42 - HN ASP- 78 33.333% * 23.0958% (0.97 0.66 0.14) = 23.096% kept Peak 1245 (4.26, 8.52, 119.25 ppm): 9 chemical-shift based assignments, quality = 0.715, support = 3.66, residual support = 16.9: HA GLU- 79 - HN ASP- 78 11.111% * 67.9460% (0.89 3.58 16.18) = 67.946% kept HB THR 77 - HN ASP- 78 11.111% * 28.7549% (0.31 4.28 20.68) = 28.755% kept HA THR 39 - HN ASP- 78 11.111% * 1.9932% (0.95 0.10 0.02) = 1.993% kept HA1 GLY 51 - HN ASP- 78 11.111% * 0.4249% (1.00 0.02 0.02) = 0.425% HA ALA 57 - HN ASP- 78 11.111% * 0.3644% (0.85 0.02 0.02) = 0.364% HA ILE 103 - HN ASP- 78 11.111% * 0.1879% (0.44 0.02 0.02) = 0.188% HA SER 85 - HN ASP- 78 11.111% * 0.1343% (0.31 0.02 0.02) = 0.134% HA ASP- 44 - HN ASP- 78 11.111% * 0.1039% (0.24 0.02 0.02) = 0.104% HA MET 11 - HN ASP- 78 11.111% * 0.0906% (0.21 0.02 0.02) = 0.091% Peak 1246 (4.83, 8.52, 119.25 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 36.8: O HA ASP- 78 - HN ASP- 78 25.000% * 99.8620% (1.00 10.0 4.27 36.84) = 99.862% kept HA THR 23 - HN ASP- 78 25.000% * 0.0814% (0.81 1.0 0.02 0.02) = 0.081% HA LEU 80 - HN ASP- 78 25.000% * 0.0354% (0.35 1.0 0.02 3.49) = 0.035% HB THR 23 - HN ASP- 78 25.000% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% Peak 1248 (3.69, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.971, support = 6.93, residual support = 131.8: O HA ILE 119 - HN ILE 119 10.000% * 51.0117% (1.00 10.0 8.10 210.73) = 51.012% kept O HA THR 118 - HN ILE 119 10.000% * 48.4657% (0.95 10.0 5.78 50.05) = 48.466% kept HA ILE 119 - HN CYS 21 10.000% * 0.3485% (0.27 1.0 0.50 0.02) = 0.348% HB2 TRP 49 - HN ILE 119 10.000% * 0.0504% (0.99 1.0 0.02 0.02) = 0.050% HA ALA 84 - HN ILE 119 10.000% * 0.0436% (0.85 1.0 0.02 0.02) = 0.044% HA2 GLY 109 - HN ILE 119 10.000% * 0.0322% (0.63 1.0 0.02 0.02) = 0.032% HB2 TRP 49 - HN CYS 21 10.000% * 0.0138% (0.27 1.0 0.02 0.02) = 0.014% HA THR 118 - HN CYS 21 10.000% * 0.0133% (0.26 1.0 0.02 0.02) = 0.013% HA ALA 84 - HN CYS 21 10.000% * 0.0120% (0.23 1.0 0.02 0.02) = 0.012% HA2 GLY 109 - HN CYS 21 10.000% * 0.0088% (0.17 1.0 0.02 0.02) = 0.009% Peak 1249 (3.82, 7.87, 121.30 ppm): 12 chemical-shift based assignments, quality = 0.563, support = 4.21, residual support = 19.5: HB2 CYS 53 - HN ARG+ 54 8.333% * 75.7454% (0.63 5.15 25.63) = 75.745% kept HD2 PRO 58 - HN ARG+ 54 8.333% * 8.4501% (0.82 0.44 0.02) = 8.450% kept HD3 PRO 52 - HN ARG+ 54 8.333% * 7.8091% (0.15 2.28 0.64) = 7.809% kept HA VAL 83 - HN ASP- 62 8.333% * 3.7614% (0.12 1.35 0.02) = 3.761% kept HB2 CYS 53 - HN ASP- 62 8.333% * 3.3148% (0.10 1.42 1.21) = 3.315% kept HA VAL 83 - HN ARG+ 54 8.333% * 0.3531% (0.75 0.02 0.02) = 0.353% HA GLU- 100 - HN ARG+ 54 8.333% * 0.3344% (0.71 0.02 0.02) = 0.334% HA GLN 30 - HN ARG+ 54 8.333% * 0.0921% (0.20 0.02 0.02) = 0.092% HD2 PRO 58 - HN ASP- 62 8.333% * 0.0611% (0.13 0.02 0.02) = 0.061% HA GLU- 100 - HN ASP- 62 8.333% * 0.0529% (0.11 0.02 0.02) = 0.053% HA GLN 30 - HN ASP- 62 8.333% * 0.0146% (0.03 0.02 0.02) = 0.015% HD3 PRO 52 - HN ASP- 62 8.333% * 0.0109% (0.02 0.02 1.88) = 0.011% Peak 1250 (0.76, 7.72, 117.18 ppm): 7 chemical-shift based assignments, quality = 0.871, support = 0.878, residual support = 0.577: QG2 VAL 18 - HN ALA 61 14.286% * 35.9208% (0.92 1.04 0.82) = 35.921% kept QG1 VAL 41 - HN ALA 61 14.286% * 33.7215% (0.89 1.01 0.76) = 33.721% kept QG1 VAL 43 - HN ALA 61 14.286% * 21.6695% (1.00 0.58 0.11) = 21.669% kept HG LEU 31 - HN ALA 61 14.286% * 5.7658% (0.24 0.63 0.02) = 5.766% kept QD1 ILE 19 - HN ALA 61 14.286% * 2.1285% (0.40 0.14 0.02) = 2.128% kept QG2 THR 46 - HN ALA 61 14.286% * 0.6111% (0.81 0.02 0.02) = 0.611% QD2 LEU 104 - HN ALA 61 14.286% * 0.1829% (0.24 0.02 0.02) = 0.183% Peak 1251 (2.15, 8.36, 120.50 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 3.4, residual support = 16.9: QB GLU- 36 - HN ASN 35 16.667% * 47.2478% (0.89 5.02 34.38) = 47.248% kept HB3 GLU- 29 - HN ASN 35 16.667% * 21.7657% (0.99 2.09 2.14) = 21.766% kept HB3 GLU- 79 - HN ASN 35 16.667% * 20.7727% (0.81 2.42 0.48) = 20.773% kept HG3 GLU- 29 - HN ASN 35 16.667% * 4.8918% (0.63 0.73 2.14) = 4.892% kept HB2 GLN 90 - HN ASN 35 16.667% * 3.7508% (0.85 0.42 0.02) = 3.751% kept HB2 LYS+ 38 - HN ASN 35 16.667% * 1.5712% (0.16 0.94 0.02) = 1.571% kept Peak 1252 (2.30, 8.48, 122.27 ppm): 7 chemical-shift based assignments, quality = 0.579, support = 2.94, residual support = 40.2: O QB MET 11 - HN MET 11 14.286% * 99.4306% (0.58 10.0 2.95 40.44) = 99.431% kept HG2 MET 92 - HN MET 11 14.286% * 0.1391% (0.81 1.0 0.02 0.02) = 0.139% HG3 GLU- 36 - HN MET 11 14.286% * 0.1391% (0.81 1.0 0.02 0.02) = 0.139% QG GLU- 114 - HN MET 11 14.286% * 0.1240% (0.73 1.0 0.02 0.02) = 0.124% HB2 GLU- 79 - HN MET 11 14.286% * 0.1077% (0.63 1.0 0.02 0.02) = 0.108% HG2 PRO 52 - HN MET 11 14.286% * 0.0363% (0.21 1.0 0.02 0.02) = 0.036% QG GLU- 15 - HN MET 11 14.286% * 0.0231% (0.14 1.0 0.02 0.02) = 0.023% Peak 1253 (2.08, 8.48, 122.27 ppm): 6 chemical-shift based assignments, quality = 0.882, support = 2.88, residual support = 34.9: HG2 MET 11 - HN MET 11 16.667% * 86.1533% (0.89 3.28 40.44) = 86.153% kept HB2 GLU- 14 - HN MET 11 16.667% * 12.3986% (0.92 0.46 0.12) = 12.399% kept HG3 PRO 52 - HN MET 11 16.667% * 0.5729% (0.97 0.02 0.02) = 0.573% HG2 PRO 58 - HN MET 11 16.667% * 0.5729% (0.97 0.02 0.02) = 0.573% HB2 PRO 68 - HN MET 11 16.667% * 0.2091% (0.35 0.02 0.02) = 0.209% QB GLN 32 - HN MET 11 16.667% * 0.0933% (0.16 0.02 0.02) = 0.093% Peak 1254 (1.91, 8.48, 122.27 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 2.83, residual support = 35.0: HG3 MET 11 - HN MET 11 16.667% * 86.6228% (0.89 3.22 40.44) = 86.623% kept HB3 PRO 58 - HN MET 11 16.667% * 6.8528% (0.58 0.39 0.02) = 6.853% kept HB3 GLU- 14 - HN MET 11 16.667% * 5.9917% (0.68 0.29 0.12) = 5.992% kept HB2 MET 92 - HN MET 11 16.667% * 0.2142% (0.35 0.02 0.02) = 0.214% HB3 MET 96 - HN MET 11 16.667% * 0.1902% (0.31 0.02 0.02) = 0.190% HB3 GLN 30 - HN MET 11 16.667% * 0.1283% (0.21 0.02 0.02) = 0.128% Peak 1255 (1.55, 8.48, 122.27 ppm): 7 chemical-shift based assignments, quality = 0.547, support = 0.0935, residual support = 0.02: HD3 LYS+ 74 - HN MET 11 14.286% * 50.0992% (0.40 0.17 0.02) = 50.099% kept HG2 LYS+ 33 - HN MET 11 14.286% * 15.1540% (1.00 0.02 0.02) = 15.154% kept QG LYS+ 81 - HN MET 11 14.286% * 11.6939% (0.77 0.02 0.02) = 11.694% kept HG2 LYS+ 106 - HN MET 11 14.286% * 10.2889% (0.68 0.02 0.02) = 10.289% kept HB3 LYS+ 111 - HN MET 11 14.286% * 5.3734% (0.35 0.02 0.02) = 5.373% kept HB3 LYS+ 121 - HN MET 11 14.286% * 3.6953% (0.24 0.02 0.02) = 3.695% kept HG LEU 104 - HN MET 11 14.286% * 3.6953% (0.24 0.02 0.02) = 3.695% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1256 (2.08, 8.37, 125.10 ppm): 6 chemical-shift based assignments, quality = 0.714, support = 3.29, residual support = 9.7: HG2 MET 11 - HN ALA 12 16.667% * 94.2813% (0.72 3.48 10.29) = 94.281% kept HB2 GLU- 14 - HN ALA 12 16.667% * 2.4956% (0.72 0.09 0.02) = 2.496% kept HG2 PRO 58 - HN ALA 12 16.667% * 2.4602% (0.70 0.09 0.02) = 2.460% kept HG3 PRO 52 - HN ALA 12 16.667% * 0.5265% (0.70 0.02 0.02) = 0.526% HB2 PRO 93 - HN ALA 12 16.667% * 0.1507% (0.20 0.02 0.02) = 0.151% HB2 PRO 68 - HN ALA 12 16.667% * 0.0858% (0.11 0.02 0.02) = 0.086% Peak 1257 (1.39, 8.37, 125.10 ppm): 12 chemical-shift based assignments, quality = 0.661, support = 2.15, residual support = 11.3: O QB ALA 12 - HN ALA 12 8.333% * 97.3728% (0.66 10.0 2.20 11.62) = 97.373% kept HG3 LYS+ 33 - HN ALA 12 8.333% * 2.0252% (0.66 1.0 0.42 0.02) = 2.025% kept HG3 LYS+ 65 - HN ALA 12 8.333% * 0.0902% (0.62 1.0 0.02 0.02) = 0.090% HB VAL 42 - HN ALA 12 8.333% * 0.0902% (0.62 1.0 0.02 0.02) = 0.090% HB3 LEU 73 - HN ALA 12 8.333% * 0.0814% (0.56 1.0 0.02 0.02) = 0.081% HG3 LYS+ 102 - HN ALA 12 8.333% * 0.0766% (0.52 1.0 0.02 0.02) = 0.077% HB2 LYS+ 112 - HN ALA 12 8.333% * 0.0665% (0.45 1.0 0.02 0.02) = 0.067% QB LEU 98 - HN ALA 12 8.333% * 0.0665% (0.45 1.0 0.02 0.02) = 0.067% HG3 LYS+ 106 - HN ALA 12 8.333% * 0.0513% (0.35 1.0 0.02 0.02) = 0.051% HB3 LYS+ 74 - HN ALA 12 8.333% * 0.0332% (0.23 1.0 0.02 0.02) = 0.033% HD3 LYS+ 121 - HN ALA 12 8.333% * 0.0293% (0.20 1.0 0.02 0.02) = 0.029% HB2 LEU 80 - HN ALA 12 8.333% * 0.0167% (0.11 1.0 0.02 0.02) = 0.017% Peak 1258 (1.39, 8.24, 114.58 ppm): 12 chemical-shift based assignments, quality = 0.863, support = 1.62, residual support = 2.99: QB ALA 12 - HN SER 13 8.333% * 92.4311% (0.92 1.75 3.23) = 92.431% kept HG3 LYS+ 33 - HN SER 13 8.333% * 1.0538% (0.92 0.02 0.02) = 1.054% kept HG3 LYS+ 65 - HN SER 13 8.333% * 0.9759% (0.85 0.02 0.02) = 0.976% HB VAL 42 - HN SER 13 8.333% * 0.9759% (0.85 0.02 0.02) = 0.976% HB3 LEU 73 - HN SER 13 8.333% * 0.8809% (0.77 0.02 0.02) = 0.881% HG3 LYS+ 102 - HN SER 13 8.333% * 0.8289% (0.73 0.02 0.02) = 0.829% HB2 LYS+ 112 - HN SER 13 8.333% * 0.7201% (0.63 0.02 0.02) = 0.720% QB LEU 98 - HN SER 13 8.333% * 0.7201% (0.63 0.02 0.02) = 0.720% HG3 LYS+ 106 - HN SER 13 8.333% * 0.5557% (0.49 0.02 0.02) = 0.556% HB3 LYS+ 74 - HN SER 13 8.333% * 0.3596% (0.31 0.02 0.02) = 0.360% HD3 LYS+ 121 - HN SER 13 8.333% * 0.3174% (0.28 0.02 0.02) = 0.317% HB2 LEU 80 - HN SER 13 8.333% * 0.1807% (0.16 0.02 0.02) = 0.181% Peak 1259 (3.88, 8.32, 122.30 ppm): 6 chemical-shift based assignments, quality = 0.376, support = 2.31, residual support = 5.68: QB SER 13 - HN GLU- 14 16.667% * 95.1106% (0.37 2.43 5.97) = 95.111% kept HB THR 118 - HN GLU- 14 16.667% * 1.4614% (0.69 0.02 0.02) = 1.461% kept HA ILE 89 - HN GLU- 14 16.667% * 1.1314% (0.54 0.02 0.02) = 1.131% kept HB3 SER 37 - HN GLU- 14 16.667% * 1.1314% (0.54 0.02 0.02) = 1.131% kept HB THR 39 - HN GLU- 14 16.667% * 0.8537% (0.41 0.02 0.02) = 0.854% HB3 SER 82 - HN GLU- 14 16.667% * 0.3116% (0.15 0.02 0.02) = 0.312% Peak 1260 (2.26, 8.32, 122.30 ppm): 9 chemical-shift based assignments, quality = 0.434, support = 2.94, residual support = 26.5: QG GLU- 14 - HN GLU- 14 11.111% * 70.5778% (0.47 3.71 36.78) = 70.578% kept QG GLU- 15 - HN GLU- 14 11.111% * 19.8118% (0.34 1.45 2.80) = 19.812% kept HB2 GLU- 29 - HN GLU- 14 11.111% * 7.4430% (0.44 0.42 0.02) = 7.443% kept HG12 ILE 119 - HN GLU- 14 11.111% * 0.5534% (0.69 0.02 0.02) = 0.553% QG GLN 90 - HN GLU- 14 11.111% * 0.4792% (0.60 0.02 0.02) = 0.479% HB3 PHE 72 - HN GLU- 14 11.111% * 0.4325% (0.54 0.02 0.02) = 0.433% HB2 ASP- 44 - HN GLU- 14 11.111% * 0.3536% (0.44 0.02 0.02) = 0.354% HG3 MET 92 - HN GLU- 14 11.111% * 0.2728% (0.34 0.02 0.02) = 0.273% HB2 ASP- 105 - HN GLU- 14 11.111% * 0.0759% (0.09 0.02 0.02) = 0.076% Peak 1261 (2.08, 8.32, 122.30 ppm): 6 chemical-shift based assignments, quality = 0.692, support = 3.65, residual support = 36.7: O HB2 GLU- 14 - HN GLU- 14 16.667% * 99.6621% (0.69 10.0 3.66 36.78) = 99.662% kept HG2 MET 11 - HN GLU- 14 16.667% * 0.1000% (0.70 1.0 0.02 0.12) = 0.100% HG2 PRO 58 - HN GLU- 14 16.667% * 0.0971% (0.68 1.0 0.02 0.02) = 0.097% HG3 PRO 52 - HN GLU- 14 16.667% * 0.0971% (0.68 1.0 0.02 0.02) = 0.097% HB2 PRO 93 - HN GLU- 14 16.667% * 0.0278% (0.19 1.0 0.02 0.02) = 0.028% HB2 PRO 68 - HN GLU- 14 16.667% * 0.0158% (0.11 1.0 0.02 0.02) = 0.016% Peak 1262 (1.93, 8.32, 122.30 ppm): 4 chemical-shift based assignments, quality = 0.594, support = 3.66, residual support = 36.7: O HB3 GLU- 14 - HN GLU- 14 25.000% * 99.7309% (0.60 10.0 3.67 36.78) = 99.731% kept HB3 MET 96 - HN GLU- 14 25.000% * 0.1163% (0.69 1.0 0.02 0.02) = 0.116% HB2 LEU 40 - HN GLU- 14 25.000% * 0.0792% (0.47 1.0 0.02 0.02) = 0.079% HG3 MET 11 - HN GLU- 14 25.000% * 0.0736% (0.44 1.0 0.02 0.12) = 0.074% Peak 1263 (2.20, 7.69, 115.83 ppm): 5 chemical-shift based assignments, quality = 0.987, support = 4.69, residual support = 56.9: QG GLN 17 - HN GLN 17 20.000% * 82.3336% (1.00 5.46 68.89) = 82.334% kept HB VAL 70 - HN GLN 17 20.000% * 17.1579% (0.97 1.17 0.83) = 17.158% kept HB2 GLU- 25 - HN GLN 17 20.000% * 0.2989% (0.99 0.02 0.02) = 0.299% HB2 MET 96 - HN GLN 17 20.000% * 0.1617% (0.53 0.02 0.02) = 0.162% HB2 LYS+ 38 - HN GLN 17 20.000% * 0.0479% (0.16 0.02 0.02) = 0.048% Peak 1264 (2.01, 7.69, 115.83 ppm): 8 chemical-shift based assignments, quality = 0.882, support = 5.17, residual support = 63.5: O HB2 GLN 17 - HN GLN 17 12.500% * 92.2258% (0.89 10.0 5.53 68.89) = 92.226% kept QB GLU- 15 - HN GLN 17 12.500% * 5.2955% (0.89 1.0 1.15 0.15) = 5.295% kept HB ILE 19 - HN GLN 17 12.500% * 1.8323% (0.73 1.0 0.49 0.02) = 1.832% kept HB3 PRO 68 - HN GLN 17 12.500% * 0.3094% (0.44 1.0 0.14 0.02) = 0.309% HB3 GLU- 25 - HN GLN 17 12.500% * 0.1032% (1.00 1.0 0.02 0.02) = 0.103% HB2 LYS+ 111 - HN GLN 17 12.500% * 0.0843% (0.81 1.0 0.02 0.02) = 0.084% QB GLU- 114 - HN GLN 17 12.500% * 0.0843% (0.81 1.0 0.02 0.02) = 0.084% HG2 PRO 68 - HN GLN 17 12.500% * 0.0653% (0.63 1.0 0.02 0.02) = 0.065% Peak 1265 (1.79, 7.69, 115.83 ppm): 8 chemical-shift based assignments, quality = 0.963, support = 5.08, residual support = 68.3: O HB3 GLN 17 - HN GLN 17 12.500% * 99.1313% (0.97 10.0 5.12 68.89) = 99.131% kept HB2 LEU 71 - HN GLN 17 12.500% * 0.6671% (0.68 1.0 0.19 0.02) = 0.667% QB LYS+ 65 - HN GLN 17 12.500% * 0.0644% (0.63 1.0 0.02 0.02) = 0.064% QB LYS+ 102 - HN GLN 17 12.500% * 0.0497% (0.49 1.0 0.02 0.02) = 0.050% HB2 LYS+ 99 - HN GLN 17 12.500% * 0.0249% (0.24 1.0 0.02 0.02) = 0.025% HG2 PRO 93 - HN GLN 17 12.500% * 0.0249% (0.24 1.0 0.02 0.02) = 0.025% QD LYS+ 81 - HN GLN 17 12.500% * 0.0217% (0.21 1.0 0.02 0.02) = 0.022% HB VAL 43 - HN GLN 17 12.500% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% Peak 1266 (2.01, 8.66, 110.73 ppm): 9 chemical-shift based assignments, quality = 0.948, support = 2.2, residual support = 8.31: HB2 GLN 17 - HN GLY 16 11.111% * 61.0200% (0.97 2.64 11.68) = 61.020% kept QB GLU- 15 - HN GLY 16 11.111% * 37.0170% (0.97 1.60 3.21) = 37.017% kept HB2 LYS+ 111 - HN GLY 16 11.111% * 0.4567% (0.95 0.02 0.02) = 0.457% HB3 GLU- 25 - HN GLY 16 11.111% * 0.4270% (0.89 0.02 0.02) = 0.427% HB3 PRO 68 - HN GLY 16 11.111% * 0.3359% (0.70 0.02 0.02) = 0.336% QB GLU- 114 - HN GLY 16 11.111% * 0.2470% (0.52 0.02 0.02) = 0.247% HB ILE 19 - HN GLY 16 11.111% * 0.2039% (0.43 0.02 0.02) = 0.204% HG2 PRO 68 - HN GLY 16 11.111% * 0.1640% (0.34 0.02 0.02) = 0.164% HG3 GLN 30 - HN GLY 16 11.111% * 0.1286% (0.27 0.02 0.02) = 0.129% Peak 1267 (2.19, 8.27, 122.56 ppm): 6 chemical-shift based assignments, quality = 0.577, support = 5.14, residual support = 40.7: QG GLN 17 - HN VAL 18 16.667% * 88.3468% (0.60 5.74 45.96) = 88.347% kept HB VAL 70 - HN VAL 18 16.667% * 8.9512% (0.51 0.69 0.54) = 8.951% kept HB2 MET 96 - HN VAL 18 16.667% * 1.9750% (0.13 0.60 0.34) = 1.975% kept HB2 GLU- 25 - HN VAL 18 16.667% * 0.3767% (0.73 0.02 0.02) = 0.377% HB2 LYS+ 38 - HN VAL 18 16.667% * 0.2843% (0.55 0.02 0.02) = 0.284% HG3 GLU- 29 - HN VAL 18 16.667% * 0.0661% (0.13 0.02 0.02) = 0.066% Peak 1268 (1.97, 8.27, 122.56 ppm): 6 chemical-shift based assignments, quality = 0.596, support = 4.96, residual support = 65.3: O HB VAL 18 - HN VAL 18 16.667% * 99.4936% (0.60 10.0 4.99 65.62) = 99.494% kept HB2 LEU 67 - HN VAL 18 16.667% * 0.1456% (0.88 1.0 0.02 0.02) = 0.146% HB2 LEU 115 - HN VAL 18 16.667% * 0.1456% (0.88 1.0 0.02 0.02) = 0.146% HG3 PRO 58 - HN VAL 18 16.667% * 0.1406% (0.85 1.0 0.02 0.02) = 0.141% HB3 ARG+ 54 - HN VAL 18 16.667% * 0.0497% (0.30 1.0 0.02 0.02) = 0.050% HG2 PRO 68 - HN VAL 18 16.667% * 0.0250% (0.15 1.0 0.02 0.02) = 0.025% Peak 1269 (1.81, 8.27, 122.56 ppm): 10 chemical-shift based assignments, quality = 0.374, support = 3.73, residual support = 31.2: HB3 GLN 17 - HN VAL 18 10.000% * 67.8627% (0.20 5.40 45.96) = 67.863% kept QB LYS+ 65 - HN VAL 18 10.000% * 16.9207% (0.81 0.33 0.02) = 16.921% kept HB2 LEU 71 - HN VAL 18 10.000% * 4.6169% (0.77 0.10 0.02) = 4.617% kept QB LYS+ 66 - HN VAL 18 10.000% * 4.6142% (0.73 0.10 0.36) = 4.614% kept HG12 ILE 103 - HN VAL 18 10.000% * 2.7424% (0.34 0.13 0.02) = 2.742% kept HG2 PRO 93 - HN VAL 18 10.000% * 1.1677% (0.94 0.02 0.02) = 1.168% kept QB LYS+ 102 - HN VAL 18 10.000% * 1.1237% (0.90 0.02 0.10) = 1.124% kept HB VAL 41 - HN VAL 18 10.000% * 0.6317% (0.51 0.02 0.02) = 0.632% HG LEU 123 - HN VAL 18 10.000% * 0.1601% (0.13 0.02 0.02) = 0.160% HB3 PRO 52 - HN VAL 18 10.000% * 0.1601% (0.13 0.02 0.02) = 0.160% Peak 1270 (0.76, 8.27, 122.56 ppm): 7 chemical-shift based assignments, quality = 0.768, support = 4.46, residual support = 51.9: QG2 VAL 18 - HN VAL 18 14.286% * 73.1883% (0.88 5.12 65.62) = 73.188% kept QD1 ILE 19 - HN VAL 18 14.286% * 20.5897% (0.38 3.35 18.58) = 20.590% kept QG1 VAL 41 - HN VAL 18 14.286% * 4.7298% (0.85 0.34 0.02) = 4.730% kept QG2 THR 46 - HN VAL 18 14.286% * 1.0328% (0.77 0.08 0.77) = 1.033% kept QG1 VAL 43 - HN VAL 18 14.286% * 0.3086% (0.95 0.02 0.02) = 0.309% QD2 LEU 104 - HN VAL 18 14.286% * 0.0755% (0.23 0.02 0.02) = 0.075% HG LEU 31 - HN VAL 18 14.286% * 0.0755% (0.23 0.02 0.02) = 0.075% Peak 1271 (0.41, 8.27, 122.56 ppm): 1 chemical-shift based assignment, quality = 0.774, support = 2.41, residual support = 8.45: QB ALA 64 - HN VAL 18 100.000% *100.0000% (0.77 2.41 8.45) = 100.000% kept Peak 1272 (7.24, 8.20, 120.98 ppm): 12 chemical-shift based assignments, quality = 0.476, support = 2.12, residual support = 6.23: HN PHE 59 - HN PHE 60 8.333% * 34.0558% (0.31 3.94 11.08) = 34.056% kept HN PHE 59 - HN GLU- 15 8.333% * 27.3051% (0.92 1.07 1.91) = 27.305% kept QE PHE 59 - HN GLU- 15 8.333% * 12.0995% (0.49 0.90 1.91) = 12.100% kept QE PHE 59 - HN PHE 60 8.333% * 10.6624% (0.17 2.34 11.08) = 10.662% kept HH2 TRP 87 - HN GLU- 15 8.333% * 4.7088% (0.63 0.27 0.02) = 4.709% kept QE PHE 59 - HN THR 118 8.333% * 3.4089% (0.07 1.69 7.00) = 3.409% kept HN PHE 59 - HN THR 118 8.333% * 2.8225% (0.14 0.74 7.00) = 2.823% kept HN HIS 122 - HN THR 118 8.333% * 2.2998% (0.11 0.77 3.85) = 2.300% kept HH2 TRP 87 - HN THR 118 8.333% * 1.9836% (0.09 0.76 0.02) = 1.984% kept HN HIS 122 - HN GLU- 15 8.333% * 0.3997% (0.73 0.02 0.02) = 0.400% HN HIS 122 - HN PHE 60 8.333% * 0.1359% (0.25 0.02 0.02) = 0.136% HH2 TRP 87 - HN PHE 60 8.333% * 0.1180% (0.21 0.02 0.44) = 0.118% Peak 1273 (7.72, 8.20, 120.98 ppm): 12 chemical-shift based assignments, quality = 0.761, support = 3.21, residual support = 11.2: HN ALA 61 - HN GLU- 15 8.333% * 58.1114% (1.00 2.72 3.52) = 58.111% kept HN ALA 61 - HN PHE 60 8.333% * 34.2726% (0.34 4.71 26.75) = 34.273% kept HN ALA 91 - HN GLU- 15 8.333% * 4.9075% (0.99 0.23 0.02) = 4.907% kept HE3 TRP 87 - HN GLU- 15 8.333% * 1.8332% (0.81 0.11 0.02) = 1.833% kept HN TRP 27 - HN GLU- 15 8.333% * 0.2906% (0.68 0.02 0.02) = 0.291% HN ALA 91 - HN PHE 60 8.333% * 0.1437% (0.34 0.02 0.02) = 0.144% HE3 TRP 87 - HN PHE 60 8.333% * 0.1186% (0.28 0.02 0.44) = 0.119% HN TRP 27 - HN PHE 60 8.333% * 0.0988% (0.23 0.02 0.02) = 0.099% HN ALA 61 - HN THR 118 8.333% * 0.0643% (0.15 0.02 0.02) = 0.064% HN ALA 91 - HN THR 118 8.333% * 0.0635% (0.15 0.02 0.02) = 0.063% HE3 TRP 87 - HN THR 118 8.333% * 0.0524% (0.12 0.02 0.02) = 0.052% HN TRP 27 - HN THR 118 8.333% * 0.0436% (0.10 0.02 0.52) = 0.044% Peak 1274 (2.97, 8.20, 120.98 ppm): 15 chemical-shift based assignments, quality = 0.447, support = 3.84, residual support = 50.4: O HB3 PHE 60 - HN PHE 60 6.667% * 82.7825% (0.34 10.0 4.36 60.43) = 82.783% kept HB3 PHE 60 - HN GLU- 15 6.667% * 16.5243% (1.00 1.0 1.36 2.19) = 16.524% kept QE LYS+ 106 - HN GLU- 15 6.667% * 0.2248% (0.92 1.0 0.02 0.02) = 0.225% HB2 PHE 97 - HN GLU- 15 6.667% * 0.0966% (0.40 1.0 0.02 0.02) = 0.097% HB3 TRP 27 - HN GLU- 15 6.667% * 0.0863% (0.35 1.0 0.02 0.02) = 0.086% QE LYS+ 106 - HN PHE 60 6.667% * 0.0764% (0.31 1.0 0.02 0.02) = 0.076% HB3 PHE 60 - HN THR 118 6.667% * 0.0366% (0.15 1.0 0.02 0.10) = 0.037% QE LYS+ 106 - HN THR 118 6.667% * 0.0338% (0.14 1.0 0.02 2.64) = 0.034% HB2 ASN 35 - HN GLU- 15 6.667% * 0.0330% (0.14 1.0 0.02 0.02) = 0.033% HB2 PHE 97 - HN PHE 60 6.667% * 0.0328% (0.13 1.0 0.02 0.02) = 0.033% HB3 TRP 27 - HN PHE 60 6.667% * 0.0294% (0.12 1.0 0.02 0.02) = 0.029% HB2 PHE 97 - HN THR 118 6.667% * 0.0145% (0.06 1.0 0.02 0.13) = 0.015% HB3 TRP 27 - HN THR 118 6.667% * 0.0130% (0.05 1.0 0.02 0.52) = 0.013% HB2 ASN 35 - HN PHE 60 6.667% * 0.0112% (0.05 1.0 0.02 0.02) = 0.011% HB2 ASN 35 - HN THR 118 6.667% * 0.0049% (0.02 1.0 0.02 0.02) = 0.005% Peak 1275 (3.15, 8.20, 120.98 ppm): 6 chemical-shift based assignments, quality = 0.474, support = 2.58, residual support = 6.92: HB3 PHE 59 - HN PHE 60 16.667% * 53.4439% (0.26 3.94 11.08) = 53.444% kept HB3 PHE 59 - HN GLU- 15 16.667% * 42.9271% (0.77 1.07 1.91) = 42.927% kept HB3 PHE 59 - HN THR 118 16.667% * 2.5089% (0.12 0.42 7.00) = 2.509% kept HB3 TRP 49 - HN GLU- 15 16.667% * 0.7516% (0.73 0.02 0.02) = 0.752% HB3 TRP 49 - HN PHE 60 16.667% * 0.2555% (0.25 0.02 0.02) = 0.256% HB3 TRP 49 - HN THR 118 16.667% * 0.1129% (0.11 0.02 0.86) = 0.113% Peak 1276 (3.37, 8.20, 120.98 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1277 (8.66, 8.17, 120.70 ppm): 6 chemical-shift based assignments, quality = 0.176, support = 1.87, residual support = 2.54: T HN SER 117 - HN THR 118 16.667% * 73.1641% (0.15 10.00 2.40 3.46) = 73.164% kept T HN SER 117 - HN PHE 60 16.667% * 22.9707% (0.24 10.00 0.39 0.02) = 22.971% kept HN GLY 16 - HN PHE 60 16.667% * 3.6821% (0.28 1.00 0.54 0.02) = 3.682% kept HN GLY 16 - HN THR 118 16.667% * 0.0853% (0.18 1.00 0.02 0.02) = 0.085% HN SER 82 - HN PHE 60 16.667% * 0.0600% (0.12 1.00 0.02 0.02) = 0.060% HN SER 82 - HN THR 118 16.667% * 0.0377% (0.08 1.00 0.02 0.02) = 0.038% Not enough quality. Peak unassigned. Peak 1278 (0.24, 8.17, 120.70 ppm): 2 chemical-shift based assignments, quality = 0.111, support = 3.39, residual support = 20.9: QG2 THR 118 - HN THR 118 50.000% * 86.0582% (0.10 3.88 24.22) = 86.058% kept QG2 THR 118 - HN PHE 60 50.000% * 13.9418% (0.16 0.39 0.10) = 13.942% kept Peak 1279 (3.90, 8.17, 120.70 ppm): 4 chemical-shift based assignments, quality = 0.13, support = 4.13, residual support = 54.6: O HA PHE 60 - HN PHE 60 25.000% * 84.0655% (0.15 10.0 4.46 60.43) = 84.066% kept O HB THR 118 - HN THR 118 25.000% * 15.6561% (0.03 10.0 2.39 24.22) = 15.656% kept HA PHE 60 - HN THR 118 25.000% * 0.2535% (0.09 1.0 0.10 0.10) = 0.253% HB THR 118 - HN PHE 60 25.000% * 0.0249% (0.04 1.0 0.02 0.10) = 0.025% Peak 1280 (3.69, 8.17, 120.70 ppm): 12 chemical-shift based assignments, quality = 0.128, support = 3.24, residual support = 28.3: O HA THR 118 - HN THR 118 8.333% * 77.6041% (0.12 10.0 3.21 24.22) = 77.604% kept HA ILE 119 - HN THR 118 8.333% * 19.0224% (0.15 1.0 3.89 50.05) = 19.022% kept HA ILE 119 - HN PHE 60 8.333% * 1.7858% (0.24 1.0 0.23 0.02) = 1.786% kept HA THR 118 - HN PHE 60 8.333% * 1.0354% (0.19 1.0 0.17 0.10) = 1.035% kept HB2 TRP 49 - HN PHE 60 8.333% * 0.1404% (0.22 1.0 0.02 0.02) = 0.140% HA ALA 84 - HN PHE 60 8.333% * 0.0972% (0.15 1.0 0.02 0.02) = 0.097% HB2 TRP 49 - HN THR 118 8.333% * 0.0882% (0.14 1.0 0.02 0.86) = 0.088% HA ALA 84 - HN THR 118 8.333% * 0.0610% (0.09 1.0 0.02 0.02) = 0.061% HA2 GLY 109 - HN PHE 60 8.333% * 0.0573% (0.09 1.0 0.02 0.02) = 0.057% HA VAL 75 - HN PHE 60 8.333% * 0.0444% (0.07 1.0 0.02 0.02) = 0.044% HA2 GLY 109 - HN THR 118 8.333% * 0.0360% (0.06 1.0 0.02 0.02) = 0.036% HA VAL 75 - HN THR 118 8.333% * 0.0279% (0.04 1.0 0.02 0.02) = 0.028% Peak 1282 (4.35, 8.18, 120.93 ppm): 12 chemical-shift based assignments, quality = 0.955, support = 3.74, residual support = 10.7: O HA PHE 59 - HN PHE 60 8.333% * 95.1423% (0.98 10.0 3.85 11.08) = 95.142% kept HA PHE 59 - HN GLU- 15 8.333% * 2.8826% (0.27 1.0 2.24 1.91) = 2.883% kept HA PHE 59 - HN THR 118 8.333% * 1.4624% (0.78 1.0 0.39 7.00) = 1.462% kept HA ASP- 113 - HN PHE 60 8.333% * 0.1954% (0.48 1.0 0.08 0.02) = 0.195% HA ASP- 113 - HN THR 118 8.333% * 0.1777% (0.38 1.0 0.10 0.02) = 0.178% HA TRP 87 - HN PHE 60 8.333% * 0.0465% (0.48 1.0 0.02 0.44) = 0.046% HA TRP 87 - HN THR 118 8.333% * 0.0370% (0.38 1.0 0.02 0.02) = 0.037% HA LYS+ 99 - HN PHE 60 8.333% * 0.0151% (0.16 1.0 0.02 0.02) = 0.015% HA ASP- 113 - HN GLU- 15 8.333% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HA TRP 87 - HN GLU- 15 8.333% * 0.0125% (0.13 1.0 0.02 0.02) = 0.013% HA LYS+ 99 - HN THR 118 8.333% * 0.0120% (0.12 1.0 0.02 0.02) = 0.012% HA LYS+ 99 - HN GLU- 15 8.333% * 0.0041% (0.04 1.0 0.02 0.02) = 0.004% Peak 1283 (3.91, 8.18, 120.93 ppm): 6 chemical-shift based assignments, quality = 0.887, support = 4.3, residual support = 56.3: O HA PHE 60 - HN PHE 60 16.667% * 92.8852% (0.94 10.0 4.46 60.43) = 92.885% kept QB SER 117 - HN THR 118 16.667% * 3.3930% (0.25 1.0 2.77 3.46) = 3.393% kept HA PHE 60 - HN GLU- 15 16.667% * 2.7024% (0.25 1.0 2.15 2.19) = 2.702% kept QB SER 117 - HN PHE 60 16.667% * 0.6561% (0.31 1.0 0.43 0.02) = 0.656% HA PHE 60 - HN THR 118 16.667% * 0.3550% (0.75 1.0 0.10 0.10) = 0.355% QB SER 117 - HN GLU- 15 16.667% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% Peak 1286 (2.26, 8.18, 120.93 ppm): 27 chemical-shift based assignments, quality = 0.668, support = 2.3, residual support = 27.2: HG12 ILE 119 - HN THR 118 3.704% * 53.3463% (0.67 3.90 50.05) = 53.346% kept QG GLU- 14 - HN GLU- 15 3.704% * 6.8925% (0.24 1.43 2.80) = 6.893% kept HB2 ASP- 44 - HN PHE 60 3.704% * 5.7326% (0.84 0.33 0.60) = 5.733% kept HB3 PHE 72 - HN PHE 60 3.704% * 5.3092% (0.94 0.28 2.35) = 5.309% kept HG12 ILE 119 - HN PHE 60 3.704% * 5.2017% (0.84 0.30 0.02) = 5.202% kept QG GLU- 14 - HN PHE 60 3.704% * 4.8188% (0.88 0.27 0.11) = 4.819% kept QG GLU- 14 - HN THR 118 3.704% * 4.5457% (0.70 0.32 0.02) = 4.546% kept QG GLU- 15 - HN GLU- 15 3.704% * 3.3268% (0.19 0.84 3.36) = 3.327% kept HB2 ASP- 44 - HN THR 118 3.704% * 3.2879% (0.67 0.24 0.02) = 3.288% kept QG GLN 90 - HN THR 118 3.704% * 2.5676% (0.78 0.16 0.02) = 2.568% kept QG GLN 90 - HN PHE 60 3.704% * 1.8908% (0.97 0.10 0.02) = 1.891% kept QG GLU- 15 - HN PHE 60 3.704% * 1.4109% (0.72 0.10 2.19) = 1.411% kept HB3 PHE 72 - HN THR 118 3.704% * 0.3041% (0.75 0.02 0.02) = 0.304% QG GLU- 15 - HN THR 118 3.704% * 0.2324% (0.57 0.02 0.02) = 0.232% HB2 GLU- 29 - HN PHE 60 3.704% * 0.1594% (0.39 0.02 0.02) = 0.159% HB2 GLU- 29 - HN THR 118 3.704% * 0.1270% (0.31 0.02 0.02) = 0.127% HG3 MET 92 - HN PHE 60 3.704% * 0.1117% (0.27 0.02 0.02) = 0.112% QG GLN 90 - HN GLU- 15 3.704% * 0.1071% (0.26 0.02 0.02) = 0.107% HB3 PHE 72 - HN GLU- 15 3.704% * 0.1031% (0.25 0.02 0.02) = 0.103% HG12 ILE 119 - HN GLU- 15 3.704% * 0.0928% (0.23 0.02 0.02) = 0.093% HB2 ASP- 44 - HN GLU- 15 3.704% * 0.0928% (0.23 0.02 0.02) = 0.093% HG3 MET 92 - HN THR 118 3.704% * 0.0890% (0.22 0.02 0.02) = 0.089% QB MET 11 - HN PHE 60 3.704% * 0.0854% (0.21 0.02 0.02) = 0.085% QB MET 11 - HN THR 118 3.704% * 0.0680% (0.17 0.02 0.02) = 0.068% HB2 GLU- 29 - HN GLU- 15 3.704% * 0.0430% (0.11 0.02 0.02) = 0.043% HG3 MET 92 - HN GLU- 15 3.704% * 0.0302% (0.07 0.02 0.11) = 0.030% QB MET 11 - HN GLU- 15 3.704% * 0.0231% (0.06 0.02 0.02) = 0.023% Peak 1287 (1.99, 8.18, 120.93 ppm): 21 chemical-shift based assignments, quality = 0.608, support = 0.53, residual support = 0.157: HG3 PRO 58 - HN PHE 60 4.762% * 32.6146% (0.84 0.68 0.12) = 32.615% kept HB2 LEU 115 - HN THR 118 4.762% * 20.3230% (0.64 0.56 0.45) = 20.323% kept QB GLU- 114 - HN THR 118 4.762% * 16.2250% (0.38 0.75 0.12) = 16.225% kept HB2 LEU 115 - HN PHE 60 4.762% * 9.9537% (0.80 0.22 0.02) = 9.954% kept HG3 PRO 58 - HN GLU- 15 4.762% * 6.7343% (0.23 0.52 0.02) = 6.734% kept HG3 PRO 58 - HN THR 118 4.762% * 3.6701% (0.67 0.10 0.02) = 3.670% kept QB GLU- 114 - HN PHE 60 4.762% * 3.5467% (0.48 0.13 0.02) = 3.547% kept HB3 GLU- 25 - HN THR 118 4.762% * 2.5615% (0.12 0.36 0.02) = 2.562% kept HG2 PRO 68 - HN PHE 60 4.762% * 0.7626% (0.67 0.02 0.02) = 0.763% HB ILE 19 - HN PHE 60 4.762% * 0.6540% (0.57 0.02 0.02) = 0.654% HG2 PRO 68 - HN THR 118 4.762% * 0.6074% (0.53 0.02 0.02) = 0.607% HB ILE 19 - HN THR 118 4.762% * 0.5209% (0.46 0.02 0.02) = 0.521% HB2 LEU 67 - HN PHE 60 4.762% * 0.3983% (0.35 0.02 0.02) = 0.398% HB2 LEU 67 - HN THR 118 4.762% * 0.3172% (0.28 0.02 0.02) = 0.317% HB2 LEU 115 - HN GLU- 15 4.762% * 0.2471% (0.22 0.02 0.02) = 0.247% HG2 PRO 68 - HN GLU- 15 4.762% * 0.2059% (0.18 0.02 0.02) = 0.206% HB3 GLU- 25 - HN PHE 60 4.762% * 0.1778% (0.16 0.02 0.02) = 0.178% HB ILE 19 - HN GLU- 15 4.762% * 0.1766% (0.16 0.02 0.02) = 0.177% QB GLU- 114 - HN GLU- 15 4.762% * 0.1476% (0.13 0.02 0.02) = 0.148% HB2 LEU 67 - HN GLU- 15 4.762% * 0.1075% (0.09 0.02 0.02) = 0.108% HB3 GLU- 25 - HN GLU- 15 4.762% * 0.0480% (0.04 0.02 0.02) = 0.048% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 1288 (1.69, 8.20, 120.98 ppm): 24 chemical-shift based assignments, quality = 0.806, support = 0.288, residual support = 0.0691: HB3 MET 92 - HN GLU- 15 4.167% * 58.1405% (1.00 0.44 0.11) = 58.141% kept HB2 LEU 123 - HN GLU- 15 4.167% * 9.0142% (0.73 0.09 0.02) = 9.014% kept HG3 PRO 93 - HN GLU- 15 4.167% * 8.7903% (0.68 0.10 0.02) = 8.790% kept QD LYS+ 99 - HN PHE 60 4.167% * 6.4114% (0.25 0.20 0.02) = 6.411% kept HD2 LYS+ 111 - HN GLU- 15 4.167% * 2.5646% (0.97 0.02 0.02) = 2.565% kept HB2 LEU 73 - HN GLU- 15 4.167% * 2.5078% (0.95 0.02 0.02) = 2.508% kept QD LYS+ 106 - HN GLU- 15 4.167% * 2.0368% (0.77 0.02 0.02) = 2.037% kept QD LYS+ 99 - HN GLU- 15 4.167% * 1.9167% (0.73 0.02 0.02) = 1.917% kept QD LYS+ 102 - HN GLU- 15 4.167% * 1.1635% (0.44 0.02 0.02) = 1.163% kept HB3 MET 92 - HN PHE 60 4.167% * 0.8974% (0.34 0.02 0.02) = 0.897% HD2 LYS+ 111 - HN PHE 60 4.167% * 0.8719% (0.33 0.02 0.02) = 0.872% HB2 LEU 73 - HN PHE 60 4.167% * 0.8526% (0.32 0.02 0.93) = 0.853% QD LYS+ 106 - HN PHE 60 4.167% * 0.6925% (0.26 0.02 0.02) = 0.692% HB2 LEU 123 - HN PHE 60 4.167% * 0.6516% (0.25 0.02 0.02) = 0.652% HG3 PRO 93 - HN PHE 60 4.167% * 0.6093% (0.23 0.02 0.02) = 0.609% HB3 MET 92 - HN THR 118 4.167% * 0.3964% (0.15 0.02 0.02) = 0.396% QD LYS+ 102 - HN PHE 60 4.167% * 0.3956% (0.15 0.02 0.02) = 0.396% HD2 LYS+ 111 - HN THR 118 4.167% * 0.3851% (0.15 0.02 0.02) = 0.385% HB2 LEU 73 - HN THR 118 4.167% * 0.3766% (0.14 0.02 0.02) = 0.377% QD LYS+ 106 - HN THR 118 4.167% * 0.3059% (0.12 0.02 2.64) = 0.306% HB2 LEU 123 - HN THR 118 4.167% * 0.2878% (0.11 0.02 0.12) = 0.288% QD LYS+ 99 - HN THR 118 4.167% * 0.2878% (0.11 0.02 0.02) = 0.288% HG3 PRO 93 - HN THR 118 4.167% * 0.2691% (0.10 0.02 0.02) = 0.269% QD LYS+ 102 - HN THR 118 4.167% * 0.1747% (0.07 0.02 0.02) = 0.175% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1289 (1.41, 8.20, 120.98 ppm): 30 chemical-shift based assignments, quality = 0.46, support = 1.11, residual support = 8.89: QB ALA 61 - HN GLU- 15 3.333% * 34.0739% (0.40 0.99 3.52) = 34.074% kept QB ALA 61 - HN PHE 60 3.333% * 28.7086% (0.13 2.45 26.75) = 28.709% kept HB2 LEU 80 - HN GLU- 15 3.333% * 23.6940% (0.99 0.28 0.02) = 23.694% kept HD3 LYS+ 121 - HN GLU- 15 3.333% * 1.5512% (0.89 0.02 0.02) = 1.551% kept HB3 LYS+ 74 - HN GLU- 15 3.333% * 1.4880% (0.85 0.02 0.02) = 1.488% kept HG12 ILE 19 - HN GLU- 15 3.333% * 1.3432% (0.77 0.02 0.02) = 1.343% kept QB ALA 110 - HN GLU- 15 3.333% * 1.1818% (0.68 0.02 0.02) = 1.182% kept HG LEU 80 - HN GLU- 15 3.333% * 1.0979% (0.63 0.02 0.02) = 1.098% kept QB LEU 98 - HN GLU- 15 3.333% * 0.9296% (0.53 0.02 0.02) = 0.930% HB2 LEU 80 - HN PHE 60 3.333% * 0.5842% (0.34 0.02 0.02) = 0.584% HD3 LYS+ 121 - HN PHE 60 3.333% * 0.5274% (0.30 0.02 0.76) = 0.527% HB3 LYS+ 74 - HN PHE 60 3.333% * 0.5059% (0.29 0.02 0.02) = 0.506% HG12 ILE 19 - HN PHE 60 3.333% * 0.4567% (0.26 0.02 0.02) = 0.457% QB ALA 12 - HN GLU- 15 3.333% * 0.4244% (0.24 0.02 0.02) = 0.424% HB3 LEU 67 - HN GLU- 15 3.333% * 0.4244% (0.24 0.02 0.02) = 0.424% QB ALA 110 - HN PHE 60 3.333% * 0.4018% (0.23 0.02 0.02) = 0.402% HG LEU 80 - HN PHE 60 3.333% * 0.3733% (0.21 0.02 0.02) = 0.373% QB LEU 98 - HN PHE 60 3.333% * 0.3161% (0.18 0.02 0.02) = 0.316% HB2 LEU 80 - HN THR 118 3.333% * 0.2581% (0.15 0.02 0.02) = 0.258% HD3 LYS+ 121 - HN THR 118 3.333% * 0.2329% (0.13 0.02 3.17) = 0.233% HB3 LYS+ 74 - HN THR 118 3.333% * 0.2234% (0.13 0.02 0.02) = 0.223% HG12 ILE 19 - HN THR 118 3.333% * 0.2017% (0.12 0.02 0.02) = 0.202% QB ALA 110 - HN THR 118 3.333% * 0.1775% (0.10 0.02 0.02) = 0.177% HG LEU 80 - HN THR 118 3.333% * 0.1649% (0.09 0.02 0.02) = 0.165% QB ALA 12 - HN PHE 60 3.333% * 0.1443% (0.08 0.02 0.02) = 0.144% HB3 LEU 67 - HN PHE 60 3.333% * 0.1443% (0.08 0.02 0.02) = 0.144% QB LEU 98 - HN THR 118 3.333% * 0.1396% (0.08 0.02 0.02) = 0.140% QB ALA 61 - HN THR 118 3.333% * 0.1037% (0.06 0.02 0.02) = 0.104% QB ALA 12 - HN THR 118 3.333% * 0.0637% (0.04 0.02 0.02) = 0.064% HB3 LEU 67 - HN THR 118 3.333% * 0.0637% (0.04 0.02 0.02) = 0.064% Peak 1291 (1.28, 8.08, 121.56 ppm): 12 chemical-shift based assignments, quality = 0.844, support = 3.16, residual support = 17.3: O QB ALA 34 - HN ALA 34 8.333% * 95.1360% (0.85 10.0 3.27 18.21) = 95.136% kept QB ALA 34 - HN LEU 80 8.333% * 4.3729% (0.76 1.0 1.03 0.02) = 4.373% kept QG2 THR 23 - HN ALA 34 8.333% * 0.1099% (0.98 1.0 0.02 0.02) = 0.110% QG2 THR 23 - HN LEU 80 8.333% * 0.0981% (0.88 1.0 0.02 1.52) = 0.098% QG2 ILE 56 - HN ALA 34 8.333% * 0.0702% (0.63 1.0 0.02 0.02) = 0.070% QG2 ILE 56 - HN LEU 80 8.333% * 0.0627% (0.56 1.0 0.02 0.02) = 0.063% HG3 LYS+ 38 - HN ALA 34 8.333% * 0.0441% (0.40 1.0 0.02 0.02) = 0.044% HG3 LYS+ 38 - HN LEU 80 8.333% * 0.0394% (0.35 1.0 0.02 0.02) = 0.039% QB ALA 91 - HN ALA 34 8.333% * 0.0176% (0.16 1.0 0.02 0.02) = 0.018% QG2 THR 39 - HN ALA 34 8.333% * 0.0176% (0.16 1.0 0.02 1.69) = 0.018% QB ALA 91 - HN LEU 80 8.333% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% QG2 THR 39 - HN LEU 80 8.333% * 0.0157% (0.14 1.0 0.02 0.02) = 0.016% Peak 1292 (4.12, 8.08, 121.56 ppm): 16 chemical-shift based assignments, quality = 0.447, support = 2.68, residual support = 13.7: O HA ALA 34 - HN ALA 34 6.250% * 62.3422% (0.44 10.0 3.10 18.21) = 62.342% kept HA LYS+ 81 - HN LEU 80 6.250% * 11.2760% (0.35 1.0 4.50 19.64) = 11.276% kept HA LEU 115 - HN ALA 34 6.250% * 4.4921% (0.63 1.0 1.01 0.51) = 4.492% kept HA ASN 28 - HN ALA 34 6.250% * 4.1332% (0.68 1.0 0.86 0.02) = 4.133% kept HA LYS+ 81 - HN ALA 34 6.250% * 3.7367% (0.40 1.0 1.33 2.26) = 3.737% kept HA LEU 115 - HN LEU 80 6.250% * 2.9638% (0.56 1.0 0.74 0.22) = 2.964% kept HA GLU- 36 - HN ALA 34 6.250% * 2.8767% (0.28 1.0 1.46 0.11) = 2.877% kept HA ASN 28 - HN LEU 80 6.250% * 2.6870% (0.60 1.0 0.63 0.48) = 2.687% kept HA ALA 34 - HN LEU 80 6.250% * 2.4856% (0.39 1.0 0.89 0.02) = 2.486% kept HA ALA 124 - HN ALA 34 6.250% * 1.3139% (0.89 1.0 0.21 0.02) = 1.314% kept HA GLU- 36 - HN LEU 80 6.250% * 0.8749% (0.25 1.0 0.50 0.02) = 0.875% HA ALA 124 - HN LEU 80 6.250% * 0.4925% (0.79 1.0 0.09 0.02) = 0.492% HA ARG+ 54 - HN ALA 34 6.250% * 0.1374% (0.97 1.0 0.02 0.02) = 0.137% HA ARG+ 54 - HN LEU 80 6.250% * 0.1227% (0.86 1.0 0.02 0.02) = 0.123% HA1 GLY 101 - HN ALA 34 6.250% * 0.0345% (0.24 1.0 0.02 0.02) = 0.034% HA1 GLY 101 - HN LEU 80 6.250% * 0.0308% (0.22 1.0 0.02 0.02) = 0.031% Peak 1293 (4.00, 8.08, 121.56 ppm): 18 chemical-shift based assignments, quality = 0.937, support = 4.82, residual support = 14.0: O HA LYS+ 33 - HN ALA 34 5.556% * 68.0960% (0.98 10.0 6.16 19.91) = 68.096% kept HA GLU- 29 - HN ALA 34 5.556% * 10.5467% (0.98 1.0 3.10 2.64) = 10.547% kept HB2 SER 82 - HN ALA 34 5.556% * 6.1602% (0.92 1.0 1.94 0.73) = 6.160% kept HA LYS+ 33 - HN LEU 80 5.556% * 4.4984% (0.88 1.0 1.48 1.48) = 4.498% kept HA VAL 18 - HN ALA 34 5.556% * 2.3530% (0.97 1.0 0.70 0.02) = 2.353% kept HA GLN 32 - HN ALA 34 5.556% * 2.0998% (0.21 1.0 2.87 0.02) = 2.100% kept HA GLU- 29 - HN LEU 80 5.556% * 1.9885% (0.88 1.0 0.65 0.02) = 1.989% kept HA GLN 116 - HN LEU 80 5.556% * 1.5679% (0.65 1.0 0.70 0.15) = 1.568% kept HB2 SER 82 - HN LEU 80 5.556% * 1.4486% (0.82 1.0 0.51 0.15) = 1.449% kept HA GLN 116 - HN ALA 34 5.556% * 0.9778% (0.72 1.0 0.39 0.02) = 0.978% HA VAL 18 - HN LEU 80 5.556% * 0.0598% (0.86 1.0 0.02 0.02) = 0.060% HA VAL 70 - HN ALA 34 5.556% * 0.0501% (0.72 1.0 0.02 0.02) = 0.050% HA VAL 70 - HN LEU 80 5.556% * 0.0447% (0.65 1.0 0.02 0.02) = 0.045% HA SER 48 - HN ALA 34 5.556% * 0.0336% (0.49 1.0 0.02 0.02) = 0.034% HA SER 48 - HN LEU 80 5.556% * 0.0300% (0.43 1.0 0.02 0.02) = 0.030% HA ALA 88 - HN ALA 34 5.556% * 0.0168% (0.24 1.0 0.02 0.02) = 0.017% HA ALA 88 - HN LEU 80 5.556% * 0.0150% (0.22 1.0 0.02 0.02) = 0.015% HA GLN 32 - HN LEU 80 5.556% * 0.0131% (0.19 1.0 0.02 0.02) = 0.013% Peak 1294 (1.37, 8.08, 121.56 ppm): 24 chemical-shift based assignments, quality = 0.656, support = 2.8, residual support = 9.21: HG3 LYS+ 33 - HN ALA 34 4.167% * 44.8585% (0.68 4.89 19.91) = 44.858% kept HG3 LYS+ 33 - HN LEU 80 4.167% * 17.3430% (0.60 2.12 1.48) = 17.343% kept HB3 LEU 73 - HN LEU 80 4.167% * 10.2237% (0.76 0.99 0.02) = 10.224% kept QB ALA 84 - HN ALA 34 4.167% * 5.7802% (0.49 0.88 0.02) = 5.780% kept HB VAL 42 - HN LEU 80 4.167% * 5.1042% (0.69 0.55 0.02) = 5.104% kept HG3 LYS+ 106 - HN LEU 80 4.167% * 4.6303% (0.89 0.39 0.02) = 4.630% kept HG3 LYS+ 65 - HN LEU 80 4.167% * 4.2411% (0.69 0.46 0.02) = 4.241% kept HG3 LYS+ 106 - HN ALA 34 4.167% * 3.0888% (0.99 0.23 0.02) = 3.089% kept QB ALA 12 - HN ALA 34 4.167% * 2.3849% (0.24 0.72 0.71) = 2.385% kept HB2 LYS+ 112 - HN ALA 34 4.167% * 0.2567% (0.95 0.02 0.02) = 0.257% HG3 LYS+ 102 - HN ALA 34 4.167% * 0.2408% (0.89 0.02 0.02) = 0.241% HB3 LEU 73 - HN ALA 34 4.167% * 0.2310% (0.85 0.02 0.02) = 0.231% HB2 LYS+ 112 - HN LEU 80 4.167% * 0.2293% (0.85 0.02 0.02) = 0.229% HG3 LYS+ 102 - HN LEU 80 4.167% * 0.2150% (0.79 0.02 0.02) = 0.215% HB VAL 42 - HN ALA 34 4.167% * 0.2085% (0.77 0.02 0.02) = 0.208% HG3 LYS+ 65 - HN ALA 34 4.167% * 0.2085% (0.77 0.02 0.02) = 0.208% HB3 PRO 93 - HN ALA 34 4.167% * 0.1443% (0.53 0.02 0.02) = 0.144% HB3 PRO 93 - HN LEU 80 4.167% * 0.1289% (0.48 0.02 0.23) = 0.129% QB ALA 84 - HN LEU 80 4.167% * 0.1175% (0.43 0.02 0.02) = 0.117% HG LEU 98 - HN ALA 34 4.167% * 0.0958% (0.35 0.02 0.02) = 0.096% HG LEU 98 - HN LEU 80 4.167% * 0.0856% (0.32 0.02 0.02) = 0.086% QB ALA 124 - HN ALA 34 4.167% * 0.0659% (0.24 0.02 0.02) = 0.066% QB ALA 12 - HN LEU 80 4.167% * 0.0588% (0.22 0.02 0.02) = 0.059% QB ALA 124 - HN LEU 80 4.167% * 0.0588% (0.22 0.02 0.02) = 0.059% Peak 1295 (1.87, 8.08, 121.56 ppm): 26 chemical-shift based assignments, quality = 0.64, support = 3.29, residual support = 12.4: QB LYS+ 33 - HN ALA 34 3.846% * 32.9501% (0.63 5.19 19.91) = 32.950% kept QB LYS+ 81 - HN LEU 80 3.846% * 27.4862% (0.73 3.75 19.64) = 27.486% kept QB LYS+ 33 - HN LEU 80 3.846% * 12.2548% (0.56 2.16 1.48) = 12.255% kept HB3 GLN 30 - HN ALA 34 3.846% * 7.8808% (0.58 1.35 0.15) = 7.881% kept QB LYS+ 81 - HN ALA 34 3.846% * 7.7319% (0.81 0.94 2.26) = 7.732% kept HB3 GLN 30 - HN LEU 80 3.846% * 6.8530% (0.52 1.31 0.39) = 6.853% kept HB3 GLN 90 - HN ALA 34 3.846% * 2.8437% (0.72 0.39 0.02) = 2.844% kept HB ILE 56 - HN ALA 34 3.846% * 0.1912% (0.95 0.02 0.02) = 0.191% QB LYS+ 106 - HN ALA 34 3.846% * 0.1720% (0.85 0.02 0.02) = 0.172% HB ILE 56 - HN LEU 80 3.846% * 0.1707% (0.85 0.02 0.02) = 0.171% HB3 LYS+ 38 - HN ALA 34 3.846% * 0.1639% (0.81 0.02 0.02) = 0.164% QB LYS+ 106 - HN LEU 80 3.846% * 0.1536% (0.76 0.02 0.02) = 0.154% HB3 LYS+ 38 - HN LEU 80 3.846% * 0.1464% (0.73 0.02 0.02) = 0.146% HB3 GLN 90 - HN LEU 80 3.846% * 0.1305% (0.65 0.02 0.02) = 0.130% HB3 ASP- 105 - HN ALA 34 3.846% * 0.0979% (0.49 0.02 0.02) = 0.098% HG2 ARG+ 54 - HN ALA 34 3.846% * 0.0887% (0.44 0.02 0.02) = 0.089% HB3 ASP- 105 - HN LEU 80 3.846% * 0.0875% (0.43 0.02 0.02) = 0.087% HB2 MET 92 - HN ALA 34 3.846% * 0.0798% (0.40 0.02 0.02) = 0.080% HB ILE 103 - HN ALA 34 3.846% * 0.0798% (0.40 0.02 0.02) = 0.080% HG2 ARG+ 54 - HN LEU 80 3.846% * 0.0792% (0.39 0.02 0.02) = 0.079% HG3 PRO 68 - HN ALA 34 3.846% * 0.0713% (0.35 0.02 0.02) = 0.071% HB2 MET 92 - HN LEU 80 3.846% * 0.0713% (0.35 0.02 0.02) = 0.071% HB ILE 103 - HN LEU 80 3.846% * 0.0713% (0.35 0.02 0.02) = 0.071% HG3 PRO 68 - HN LEU 80 3.846% * 0.0637% (0.32 0.02 0.02) = 0.064% HB3 PRO 58 - HN ALA 34 3.846% * 0.0428% (0.21 0.02 0.02) = 0.043% HB3 PRO 58 - HN LEU 80 3.846% * 0.0382% (0.19 0.02 0.02) = 0.038% Peak 1296 (4.83, 8.09, 121.65 ppm): 8 chemical-shift based assignments, quality = 0.514, support = 4.54, residual support = 35.8: O HA LEU 80 - HN LEU 80 12.500% * 64.5628% (0.37 10.0 6.01 54.12) = 64.563% kept HA ASP- 78 - HN LEU 80 12.500% * 18.7823% (0.92 1.0 2.31 3.49) = 18.782% kept HA ASP- 78 - HN ALA 34 12.500% * 9.7743% (0.73 1.0 1.51 1.31) = 9.774% kept HA LEU 80 - HN ALA 34 12.500% * 3.9332% (0.29 1.0 1.53 0.02) = 3.933% kept HA THR 23 - HN LEU 80 12.500% * 2.7654% (0.79 1.0 0.40 1.52) = 2.765% kept HA THR 23 - HN ALA 34 12.500% * 0.1108% (0.63 1.0 0.02 0.02) = 0.111% HB THR 23 - HN LEU 80 12.500% * 0.0397% (0.23 1.0 0.02 1.52) = 0.040% HB THR 23 - HN ALA 34 12.500% * 0.0316% (0.18 1.0 0.02 0.02) = 0.032% Peak 1297 (4.26, 8.09, 121.65 ppm): 18 chemical-shift based assignments, quality = 0.654, support = 4.42, residual support = 16.5: O HA GLU- 79 - HN LEU 80 5.556% * 85.8996% (0.67 10.0 4.88 18.81) = 85.900% kept HA GLU- 79 - HN ALA 34 5.556% * 8.0934% (0.53 1.0 2.37 3.80) = 8.093% kept HA1 GLY 51 - HN LEU 80 5.556% * 2.4906% (0.85 1.0 0.46 0.02) = 2.491% kept HA1 GLY 51 - HN ALA 34 5.556% * 1.7054% (0.68 1.0 0.39 0.02) = 1.705% kept HB THR 77 - HN LEU 80 5.556% * 1.2536% (0.17 1.0 1.15 0.36) = 1.254% kept HA ALA 57 - HN LEU 80 5.556% * 0.1149% (0.90 1.0 0.02 0.02) = 0.115% HA THR 39 - HN LEU 80 5.556% * 0.0964% (0.75 1.0 0.02 0.02) = 0.096% HA ALA 57 - HN ALA 34 5.556% * 0.0915% (0.71 1.0 0.02 0.02) = 0.091% HA THR 39 - HN ALA 34 5.556% * 0.0767% (0.60 1.0 0.02 1.69) = 0.077% HA ILE 103 - HN LEU 80 5.556% * 0.0329% (0.26 1.0 0.02 0.02) = 0.033% HA ILE 103 - HN ALA 34 5.556% * 0.0262% (0.20 1.0 0.02 0.02) = 0.026% HA SER 85 - HN LEU 80 5.556% * 0.0218% (0.17 1.0 0.02 0.02) = 0.022% HA SER 117 - HN LEU 80 5.556% * 0.0187% (0.15 1.0 0.02 0.02) = 0.019% HB THR 77 - HN ALA 34 5.556% * 0.0173% (0.14 1.0 0.02 0.10) = 0.017% HA SER 85 - HN ALA 34 5.556% * 0.0173% (0.14 1.0 0.02 0.02) = 0.017% HA ASP- 44 - HN LEU 80 5.556% * 0.0160% (0.12 1.0 0.02 0.02) = 0.016% HA SER 117 - HN ALA 34 5.556% * 0.0149% (0.12 1.0 0.02 0.02) = 0.015% HA ASP- 44 - HN ALA 34 5.556% * 0.0127% (0.10 1.0 0.02 0.02) = 0.013% Peak 1298 (2.15, 8.09, 121.65 ppm): 12 chemical-shift based assignments, quality = 0.687, support = 2.92, residual support = 8.63: HB3 GLU- 79 - HN LEU 80 8.333% * 39.2927% (0.71 4.77 18.81) = 39.293% kept HB3 GLU- 79 - HN ALA 34 8.333% * 17.6940% (0.57 2.70 3.80) = 17.694% kept HB3 GLU- 29 - HN ALA 34 8.333% * 16.9533% (0.73 2.00 2.64) = 16.953% kept QB GLU- 36 - HN ALA 34 8.333% * 9.8023% (0.63 1.35 0.11) = 9.802% kept HB3 GLU- 29 - HN LEU 80 8.333% * 7.3203% (0.92 0.69 0.02) = 7.320% kept HG3 GLU- 29 - HN ALA 34 8.333% * 4.0089% (0.50 0.70 2.64) = 4.009% kept QB GLU- 36 - HN LEU 80 8.333% * 3.0810% (0.79 0.34 0.02) = 3.081% kept HG3 GLU- 29 - HN LEU 80 8.333% * 1.4354% (0.63 0.20 0.02) = 1.435% kept HB2 GLN 90 - HN LEU 80 8.333% * 0.1902% (0.82 0.02 0.02) = 0.190% HB2 GLN 90 - HN ALA 34 8.333% * 0.1513% (0.65 0.02 0.02) = 0.151% HB2 LYS+ 38 - HN LEU 80 8.333% * 0.0393% (0.17 0.02 0.02) = 0.039% HB2 LYS+ 38 - HN ALA 34 8.333% * 0.0312% (0.14 0.02 0.02) = 0.031% Peak 1300 (8.37, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 10.7: T HN ASN 35 - HN ALA 34 25.000% * 81.7391% (0.72 10.00 3.91 13.07) = 81.739% kept T HN ASN 35 - HN LEU 80 25.000% * 13.0043% (0.65 10.00 0.36 0.02) = 13.004% kept HN ALA 12 - HN ALA 34 25.000% * 5.1574% (0.98 1.00 0.93 0.71) = 5.157% kept HN ALA 12 - HN LEU 80 25.000% * 0.0992% (0.88 1.00 0.02 0.02) = 0.099% Peak 1301 (7.29, 8.08, 121.56 ppm): 6 chemical-shift based assignments, quality = 0.922, support = 3.49, residual support = 13.0: HN LYS+ 81 - HN LEU 80 16.667% * 61.6585% (0.89 4.24 19.64) = 61.659% kept HN LYS+ 81 - HN ALA 34 16.667% * 37.7779% (0.99 2.32 2.26) = 37.778% kept QD PHE 60 - HN ALA 34 16.667% * 0.2375% (0.72 0.02 0.02) = 0.238% QD PHE 60 - HN LEU 80 16.667% * 0.2121% (0.65 0.02 0.02) = 0.212% HN LYS+ 66 - HN ALA 34 16.667% * 0.0602% (0.18 0.02 0.02) = 0.060% HN LYS+ 66 - HN LEU 80 16.667% * 0.0537% (0.16 0.02 0.02) = 0.054% Peak 1302 (3.85, 8.08, 121.56 ppm): 16 chemical-shift based assignments, quality = 0.677, support = 1.11, residual support = 0.512: HB3 SER 82 - HN ALA 34 6.250% * 26.3923% (0.89 1.71 0.73) = 26.392% kept HA GLN 30 - HN ALA 34 6.250% * 15.4781% (0.72 1.23 0.15) = 15.478% kept QB SER 13 - HN ALA 34 6.250% * 12.4511% (0.53 1.35 0.49) = 12.451% kept HB THR 39 - HN ALA 34 6.250% * 9.8823% (0.49 1.17 1.69) = 9.882% kept HA GLN 30 - HN LEU 80 6.250% * 7.6161% (0.65 0.68 0.39) = 7.616% kept HB3 SER 82 - HN LEU 80 6.250% * 7.0263% (0.79 0.51 0.15) = 7.026% kept HD3 PRO 52 - HN LEU 80 6.250% * 6.1938% (0.73 0.49 0.40) = 6.194% kept HD3 PRO 52 - HN ALA 34 6.250% * 5.3269% (0.81 0.38 0.02) = 5.327% kept HA ILE 89 - HN ALA 34 6.250% * 3.6725% (0.31 0.67 0.02) = 3.672% kept HB3 SER 37 - HN ALA 34 6.250% * 3.6356% (0.31 0.67 0.02) = 3.636% kept HB2 CYS 53 - HN LEU 80 6.250% * 0.9451% (0.22 0.25 0.02) = 0.945% HB2 CYS 53 - HN ALA 34 6.250% * 0.8691% (0.24 0.21 0.02) = 0.869% QB SER 13 - HN LEU 80 6.250% * 0.1653% (0.48 0.02 0.02) = 0.165% HB THR 39 - HN LEU 80 6.250% * 0.1506% (0.43 0.02 0.02) = 0.151% HA ILE 89 - HN LEU 80 6.250% * 0.0975% (0.28 0.02 0.02) = 0.097% HB3 SER 37 - HN LEU 80 6.250% * 0.0975% (0.28 0.02 0.02) = 0.097% Peak 1303 (3.60, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 2.59, residual support = 6.09: HA LEU 31 - HN ALA 34 25.000% * 58.8182% (0.68 3.06 8.35) = 58.818% kept HA LEU 31 - HN LEU 80 25.000% * 36.3959% (0.60 2.12 3.21) = 36.396% kept HA THR 77 - HN LEU 80 25.000% * 2.8239% (0.22 0.46 0.36) = 2.824% kept HA THR 77 - HN ALA 34 25.000% * 1.9619% (0.24 0.28 0.10) = 1.962% kept Peak 1304 (4.85, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.314, support = 1.79, residual support = 2.29: HA ASP- 78 - HN LEU 80 25.000% * 51.6008% (0.28 2.31 3.49) = 51.601% kept HA ASP- 78 - HN ALA 34 25.000% * 37.7809% (0.31 1.51 1.31) = 37.781% kept HA PHE 45 - HN LEU 80 25.000% * 9.6955% (0.52 0.24 0.02) = 9.696% kept HA PHE 45 - HN ALA 34 25.000% * 0.9228% (0.58 0.02 0.02) = 0.923% Peak 1305 (2.91, 8.08, 121.56 ppm): 12 chemical-shift based assignments, quality = 0.701, support = 2.71, residual support = 5.69: HB2 ASP- 78 - HN LEU 80 8.333% * 34.4377% (0.86 3.44 3.49) = 34.438% kept QE LYS+ 33 - HN ALA 34 8.333% * 20.8629% (0.40 4.56 19.91) = 20.863% kept HB2 ASP- 78 - HN ALA 34 8.333% * 19.5264% (0.97 1.74 1.31) = 19.526% kept HB2 ASP- 76 - HN LEU 80 8.333% * 10.0399% (0.69 1.26 0.28) = 10.040% kept HB2 ASN 69 - HN LEU 80 8.333% * 5.2419% (0.56 0.81 0.02) = 5.242% kept QE LYS+ 33 - HN LEU 80 8.333% * 3.1084% (0.35 0.76 1.48) = 3.108% kept HB2 ASN 28 - HN ALA 34 8.333% * 2.5527% (0.28 0.80 0.02) = 2.553% kept HB2 ASN 28 - HN LEU 80 8.333% * 1.4907% (0.25 0.52 0.48) = 1.491% kept QE LYS+ 65 - HN ALA 34 8.333% * 1.3944% (0.16 0.76 0.02) = 1.394% kept HB2 ASP- 76 - HN ALA 34 8.333% * 1.1665% (0.77 0.13 0.02) = 1.167% kept HB2 ASN 69 - HN ALA 34 8.333% * 0.1457% (0.63 0.02 0.02) = 0.146% QE LYS+ 65 - HN LEU 80 8.333% * 0.0327% (0.14 0.02 0.02) = 0.033% Peak 1306 (2.33, 8.08, 121.56 ppm): 14 chemical-shift based assignments, quality = 0.483, support = 2.4, residual support = 8.53: HB2 GLU- 79 - HN LEU 80 7.143% * 41.5016% (0.32 4.66 18.81) = 41.502% kept HB2 GLU- 79 - HN ALA 34 7.143% * 17.3812% (0.35 1.74 3.80) = 17.381% kept HG3 GLU- 25 - HN ALA 34 7.143% * 11.5232% (0.97 0.42 0.13) = 11.523% kept HG2 PRO 52 - HN LEU 80 7.143% * 10.8384% (0.73 0.53 0.40) = 10.838% kept HG2 PRO 52 - HN ALA 34 7.143% * 6.2537% (0.81 0.27 0.02) = 6.254% kept HG3 GLU- 36 - HN ALA 34 7.143% * 3.6878% (0.21 0.62 0.11) = 3.688% kept HG3 GLU- 25 - HN LEU 80 7.143% * 3.6066% (0.86 0.15 0.02) = 3.607% kept QG GLU- 114 - HN ALA 34 7.143% * 2.3080% (0.28 0.30 0.02) = 2.308% kept QG GLU- 114 - HN LEU 80 7.143% * 1.5308% (0.25 0.22 0.02) = 1.531% kept HG3 GLU- 36 - HN LEU 80 7.143% * 0.8832% (0.19 0.17 0.02) = 0.883% HB2 PRO 58 - HN ALA 34 7.143% * 0.1370% (0.24 0.02 0.02) = 0.137% HB2 PRO 58 - HN LEU 80 7.143% * 0.1224% (0.22 0.02 0.02) = 0.122% HG2 MET 92 - HN ALA 34 7.143% * 0.1194% (0.21 0.02 0.02) = 0.119% HG2 MET 92 - HN LEU 80 7.143% * 0.1067% (0.19 0.02 0.02) = 0.107% Peak 1307 (2.14, 8.08, 121.56 ppm): 10 chemical-shift based assignments, quality = 0.7, support = 3.26, residual support = 9.67: HB3 GLU- 79 - HN LEU 80 10.000% * 44.4022% (0.73 4.77 18.81) = 44.402% kept HB3 GLU- 79 - HN ALA 34 10.000% * 28.1318% (0.81 2.70 3.80) = 28.132% kept QB GLU- 36 - HN ALA 34 10.000% * 12.5371% (0.72 1.35 0.11) = 12.537% kept HB3 GLU- 29 - HN ALA 34 10.000% * 9.0806% (0.35 2.00 2.64) = 9.081% kept QB GLU- 36 - HN LEU 80 10.000% * 2.8008% (0.65 0.34 0.02) = 2.801% kept HB3 GLU- 29 - HN LEU 80 10.000% * 2.7868% (0.32 0.69 0.02) = 2.787% kept HG3 GLU- 100 - HN ALA 34 10.000% * 0.0907% (0.35 0.02 0.02) = 0.091% HG3 GLU- 100 - HN LEU 80 10.000% * 0.0810% (0.32 0.02 0.02) = 0.081% HB2 GLN 90 - HN ALA 34 10.000% * 0.0470% (0.18 0.02 0.02) = 0.047% HB2 GLN 90 - HN LEU 80 10.000% * 0.0420% (0.16 0.02 0.02) = 0.042% Peak 1308 (0.43, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.822, support = 0.408, residual support = 0.343: QD1 LEU 115 - HN ALA 34 25.000% * 48.1948% (0.89 0.45 0.51) = 48.195% kept QD1 LEU 115 - HN LEU 80 25.000% * 41.9244% (0.79 0.44 0.22) = 41.924% kept QG1 VAL 75 - HN LEU 80 25.000% * 8.2412% (0.60 0.11 0.02) = 8.241% kept QG1 VAL 75 - HN ALA 34 25.000% * 1.6396% (0.68 0.02 0.02) = 1.640% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1309 (0.57, 8.08, 121.56 ppm): 12 chemical-shift based assignments, quality = 0.481, support = 2.43, residual support = 18.2: QD2 LEU 80 - HN LEU 80 8.333% * 33.2374% (0.28 5.40 54.12) = 33.237% kept QD2 LEU 63 - HN LEU 80 8.333% * 18.9000% (0.76 1.13 0.48) = 18.900% kept QD1 LEU 63 - HN LEU 80 8.333% * 18.0754% (0.69 1.20 0.48) = 18.075% kept QD1 LEU 73 - HN LEU 80 8.333% * 8.4189% (0.69 0.56 0.02) = 8.419% kept QD2 LEU 80 - HN ALA 34 8.333% * 7.2971% (0.31 1.06 0.02) = 7.297% kept QD2 LEU 115 - HN ALA 34 8.333% * 5.8217% (0.35 0.75 0.51) = 5.822% kept QD2 LEU 115 - HN LEU 80 8.333% * 3.5070% (0.32 0.51 0.22) = 3.507% kept QG2 VAL 41 - HN LEU 80 8.333% * 1.9402% (0.19 0.47 0.58) = 1.940% kept QG2 VAL 41 - HN ALA 34 8.333% * 1.7523% (0.21 0.38 1.71) = 1.752% kept QD2 LEU 63 - HN ALA 34 8.333% * 0.3743% (0.85 0.02 0.02) = 0.374% QD1 LEU 63 - HN ALA 34 8.333% * 0.3379% (0.77 0.02 0.02) = 0.338% QD1 LEU 73 - HN ALA 34 8.333% * 0.3379% (0.77 0.02 0.02) = 0.338% Peak 1310 (0.82, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.9, support = 0.0628, residual support = 0.02: QD2 LEU 123 - HN ALA 34 25.000% * 72.5970% (0.99 0.08 0.02) = 72.597% kept QD2 LEU 123 - HN LEU 80 25.000% * 16.4104% (0.89 0.02 0.02) = 16.410% kept HG3 LYS+ 121 - HN ALA 34 25.000% * 5.8068% (0.31 0.02 0.02) = 5.807% kept HG3 LYS+ 121 - HN LEU 80 25.000% * 5.1858% (0.28 0.02 0.02) = 5.186% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1311 (1.87, 8.09, 121.65 ppm): 24 chemical-shift based assignments, quality = 0.754, support = 3.48, residual support = 13.4: QB LYS+ 33 - HN ALA 34 4.167% * 33.2437% (0.68 5.19 19.91) = 33.244% kept QB LYS+ 81 - HN LEU 80 4.167% * 32.6153% (0.92 3.75 19.64) = 32.615% kept QB LYS+ 33 - HN LEU 80 4.167% * 17.3955% (0.85 2.16 1.48) = 17.396% kept QB LYS+ 81 - HN ALA 34 4.167% * 6.5210% (0.73 0.94 2.26) = 6.521% kept HB3 GLN 30 - HN LEU 80 4.167% * 3.1740% (0.26 1.31 0.39) = 3.174% kept HB3 GLN 90 - HN ALA 34 4.167% * 2.6232% (0.71 0.39 0.02) = 2.623% kept HB3 GLN 30 - HN ALA 34 4.167% * 2.5943% (0.20 1.35 0.15) = 2.594% kept QB LYS+ 106 - HN LEU 80 4.167% * 0.1743% (0.92 0.02 0.02) = 0.174% HB3 GLN 90 - HN LEU 80 4.167% * 0.1693% (0.90 0.02 0.02) = 0.169% HB3 ASP- 105 - HN LEU 80 4.167% * 0.1420% (0.75 0.02 0.02) = 0.142% QB LYS+ 106 - HN ALA 34 4.167% * 0.1387% (0.73 0.02 0.02) = 0.139% HG2 ARG+ 54 - HN LEU 80 4.167% * 0.1345% (0.71 0.02 0.02) = 0.134% HB ILE 103 - HN LEU 80 4.167% * 0.1266% (0.67 0.02 0.02) = 0.127% HB ILE 56 - HN LEU 80 4.167% * 0.1183% (0.63 0.02 0.02) = 0.118% HG3 PRO 68 - HN LEU 80 4.167% * 0.1183% (0.63 0.02 0.02) = 0.118% HB3 ASP- 105 - HN ALA 34 4.167% * 0.1130% (0.60 0.02 0.02) = 0.113% HG2 ARG+ 54 - HN ALA 34 4.167% * 0.1070% (0.57 0.02 0.02) = 0.107% HB ILE 103 - HN ALA 34 4.167% * 0.1007% (0.53 0.02 0.02) = 0.101% HG3 PRO 68 - HN ALA 34 4.167% * 0.0942% (0.50 0.02 0.02) = 0.094% HB ILE 56 - HN ALA 34 4.167% * 0.0942% (0.50 0.02 0.02) = 0.094% HB3 LYS+ 38 - HN LEU 80 4.167% * 0.0848% (0.45 0.02 0.02) = 0.085% HB3 LYS+ 38 - HN ALA 34 4.167% * 0.0675% (0.36 0.02 0.02) = 0.068% HB2 MET 92 - HN LEU 80 4.167% * 0.0276% (0.15 0.02 0.02) = 0.028% HB2 MET 92 - HN ALA 34 4.167% * 0.0220% (0.12 0.02 0.02) = 0.022% Peak 1312 (1.29, 8.09, 121.65 ppm): 8 chemical-shift based assignments, quality = 0.28, support = 2.49, residual support = 12.0: O QB ALA 34 - HN ALA 34 12.500% * 65.3369% (0.14 10.0 3.27 18.21) = 65.337% kept QG2 THR 77 - HN LEU 80 12.500% * 18.6682% (0.67 1.0 1.15 0.36) = 18.668% kept QG2 THR 77 - HN ALA 34 12.500% * 11.1189% (0.53 1.0 0.86 0.10) = 11.119% kept QB ALA 34 - HN LEU 80 12.500% * 4.2253% (0.17 1.0 1.03 0.02) = 4.225% kept QG2 THR 23 - HN LEU 80 12.500% * 0.2383% (0.49 1.0 0.02 1.52) = 0.238% QG2 THR 23 - HN ALA 34 12.500% * 0.1896% (0.39 1.0 0.02 0.02) = 0.190% QB ALA 88 - HN LEU 80 12.500% * 0.1240% (0.26 1.0 0.02 0.02) = 0.124% QB ALA 88 - HN ALA 34 12.500% * 0.0987% (0.20 1.0 0.02 0.02) = 0.099% Peak 1313 (1.43, 8.09, 121.65 ppm): 22 chemical-shift based assignments, quality = 0.454, support = 4.41, residual support = 42.8: HG LEU 80 - HN LEU 80 4.545% * 44.9998% (0.67 1.0 5.78 54.12) = 45.000% kept O HB2 LEU 80 - HN LEU 80 4.545% * 33.9659% (0.15 10.0 4.89 54.12) = 33.966% kept HG LEU 80 - HN ALA 34 4.545% * 6.7518% (0.53 1.0 1.09 0.02) = 6.752% kept QG LYS+ 66 - HN LEU 80 4.545% * 5.0866% (0.88 1.0 0.50 0.02) = 5.087% kept HG LEU 73 - HN LEU 80 4.545% * 2.0490% (0.71 1.0 0.25 0.02) = 2.049% kept HB3 LEU 115 - HN ALA 34 4.545% * 1.7550% (0.16 1.0 0.97 0.51) = 1.755% kept HB3 LEU 115 - HN LEU 80 4.545% * 1.6281% (0.20 1.0 0.71 0.22) = 1.628% kept HB2 LEU 80 - HN ALA 34 4.545% * 1.4720% (0.12 1.0 1.09 0.02) = 1.472% kept QB ALA 61 - HN ALA 34 4.545% * 0.6049% (0.68 1.0 0.08 0.02) = 0.605% HB3 LEU 67 - HN LEU 80 4.545% * 0.2139% (0.92 1.0 0.02 0.02) = 0.214% QB ALA 61 - HN LEU 80 4.545% * 0.1981% (0.85 1.0 0.02 0.02) = 0.198% HB3 LEU 67 - HN ALA 34 4.545% * 0.1702% (0.73 1.0 0.02 0.02) = 0.170% QG LYS+ 66 - HN ALA 34 4.545% * 0.1622% (0.70 1.0 0.02 0.02) = 0.162% QB ALA 110 - HN LEU 80 4.545% * 0.1457% (0.63 1.0 0.02 0.02) = 0.146% HG2 LYS+ 102 - HN LEU 80 4.545% * 0.1353% (0.58 1.0 0.02 0.02) = 0.135% HG LEU 73 - HN ALA 34 4.545% * 0.1318% (0.57 1.0 0.02 0.02) = 0.132% HG12 ILE 19 - HN LEU 80 4.545% * 0.1249% (0.54 1.0 0.02 0.02) = 0.125% QB ALA 110 - HN ALA 34 4.545% * 0.1159% (0.50 1.0 0.02 0.02) = 0.116% HG2 LYS+ 102 - HN ALA 34 4.545% * 0.1077% (0.46 1.0 0.02 0.02) = 0.108% HG12 ILE 19 - HN ALA 34 4.545% * 0.0994% (0.43 1.0 0.02 0.02) = 0.099% HG LEU 40 - HN LEU 80 4.545% * 0.0456% (0.20 1.0 0.02 0.02) = 0.046% HG LEU 40 - HN ALA 34 4.545% * 0.0363% (0.16 1.0 0.02 0.32) = 0.036% Peak 1314 (0.76, 8.09, 121.65 ppm): 14 chemical-shift based assignments, quality = 0.473, support = 1.94, residual support = 4.99: HG LEU 31 - HN ALA 34 7.143% * 45.1778% (0.39 3.06 8.35) = 45.178% kept HG LEU 31 - HN LEU 80 7.143% * 26.9562% (0.49 1.45 3.21) = 26.956% kept QG1 VAL 41 - HN ALA 34 7.143% * 20.6890% (0.73 0.75 1.71) = 20.689% kept QD2 LEU 73 - HN LEU 80 7.143% * 3.5811% (0.33 0.29 0.02) = 3.581% kept QG1 VAL 41 - HN LEU 80 7.143% * 0.6932% (0.92 0.02 0.58) = 0.693% QG1 VAL 43 - HN LEU 80 7.143% * 0.6198% (0.82 0.02 0.02) = 0.620% QG1 VAL 43 - HN ALA 34 7.143% * 0.4932% (0.65 0.02 0.02) = 0.493% QG2 VAL 18 - HN LEU 80 7.143% * 0.4387% (0.58 0.02 0.02) = 0.439% QG2 VAL 18 - HN ALA 34 7.143% * 0.3491% (0.46 0.02 0.02) = 0.349% QG2 THR 46 - HN LEU 80 7.143% * 0.3385% (0.45 0.02 0.02) = 0.339% QG2 THR 46 - HN ALA 34 7.143% * 0.2694% (0.36 0.02 0.02) = 0.269% QD2 LEU 73 - HN ALA 34 7.143% * 0.1963% (0.26 0.02 0.02) = 0.196% QD1 ILE 19 - HN LEU 80 7.143% * 0.1101% (0.15 0.02 0.02) = 0.110% QD1 ILE 19 - HN ALA 34 7.143% * 0.0876% (0.12 0.02 0.02) = 0.088% Peak 1315 (0.59, 8.09, 121.65 ppm): 12 chemical-shift based assignments, quality = 0.764, support = 3.37, residual support = 29.7: QD2 LEU 80 - HN LEU 80 8.333% * 54.6929% (0.79 5.40 54.12) = 54.693% kept QD1 LEU 63 - HN LEU 80 8.333% * 13.7992% (0.90 1.20 0.48) = 13.799% kept QD2 LEU 80 - HN ALA 34 8.333% * 8.5345% (0.63 1.06 0.02) = 8.534% kept QD1 LEU 73 - HN LEU 80 8.333% * 6.4272% (0.90 0.56 0.02) = 6.427% kept QD2 LEU 115 - HN ALA 34 8.333% * 6.3055% (0.65 0.75 0.51) = 6.306% kept QD2 LEU 115 - HN LEU 80 8.333% * 5.3442% (0.82 0.51 0.22) = 5.344% kept QD2 LEU 63 - HN LEU 80 8.333% * 4.2225% (0.29 1.13 0.48) = 4.222% kept QD1 LEU 63 - HN ALA 34 8.333% * 0.1833% (0.71 0.02 0.02) = 0.183% QD1 LEU 73 - HN ALA 34 8.333% * 0.1833% (0.71 0.02 0.02) = 0.183% QD1 LEU 104 - HN LEU 80 8.333% * 0.1380% (0.54 0.02 0.02) = 0.138% QD1 LEU 104 - HN ALA 34 8.333% * 0.1099% (0.43 0.02 0.02) = 0.110% QD2 LEU 63 - HN ALA 34 8.333% * 0.0594% (0.23 0.02 0.02) = 0.059% Peak 1316 (0.46, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.193, support = 0.36, residual support = 0.274: QD1 LEU 115 - HN LEU 80 25.000% * 41.9359% (0.17 0.44 0.22) = 41.936% kept QD1 LEU 115 - HN ALA 34 25.000% * 34.2642% (0.14 0.45 0.51) = 34.264% kept QG1 VAL 75 - HN LEU 80 25.000% * 20.8514% (0.33 0.11 0.02) = 20.851% kept QG1 VAL 75 - HN ALA 34 25.000% * 2.9485% (0.26 0.02 0.02) = 2.948% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 1317 (4.12, 8.09, 121.65 ppm): 16 chemical-shift based assignments, quality = 0.543, support = 2.65, residual support = 14.2: O HA ALA 34 - HN ALA 34 6.250% * 72.0833% (0.53 10.0 3.10 18.21) = 72.083% kept HA LYS+ 81 - HN LEU 80 6.250% * 5.1659% (0.17 1.0 4.50 19.64) = 5.166% kept HA LEU 115 - HN ALA 34 6.250% * 4.4544% (0.65 1.0 1.01 0.51) = 4.454% kept HA LEU 115 - HN LEU 80 6.250% * 4.1349% (0.82 1.0 0.74 0.22) = 4.135% kept HA ALA 34 - HN LEU 80 6.250% * 4.0435% (0.67 1.0 0.89 0.02) = 4.044% kept HA ASN 28 - HN ALA 34 6.250% * 3.9442% (0.68 1.0 0.86 0.02) = 3.944% kept HA ASN 28 - HN LEU 80 6.250% * 3.6076% (0.85 1.0 0.63 0.48) = 3.608% kept HA LYS+ 81 - HN ALA 34 6.250% * 1.2168% (0.14 1.0 1.33 2.26) = 1.217% kept HA ALA 124 - HN ALA 34 6.250% * 0.6527% (0.46 1.0 0.21 0.02) = 0.653% HA ALA 124 - HN LEU 80 6.250% * 0.3442% (0.58 1.0 0.09 0.02) = 0.344% HA ARG+ 54 - HN LEU 80 6.250% * 0.0962% (0.71 1.0 0.02 0.02) = 0.096% HA ARG+ 54 - HN ALA 34 6.250% * 0.0766% (0.57 1.0 0.02 0.02) = 0.077% HA1 GLY 101 - HN LEU 80 6.250% * 0.0607% (0.45 1.0 0.02 0.02) = 0.061% HA1 GLY 101 - HN ALA 34 6.250% * 0.0483% (0.36 1.0 0.02 0.02) = 0.048% HA GLU- 114 - HN LEU 80 6.250% * 0.0393% (0.29 1.0 0.02 0.02) = 0.039% HA GLU- 114 - HN ALA 34 6.250% * 0.0313% (0.23 1.0 0.02 0.02) = 0.031% Peak 1318 (3.60, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.541, support = 2.51, residual support = 5.67: HA LEU 31 - HN ALA 34 25.000% * 50.7226% (0.50 3.06 8.35) = 50.723% kept HA LEU 31 - HN LEU 80 25.000% * 44.1592% (0.63 2.12 3.21) = 44.159% kept HA THR 77 - HN LEU 80 25.000% * 3.4263% (0.23 0.46 0.36) = 3.426% kept HA THR 77 - HN ALA 34 25.000% * 1.6919% (0.18 0.28 0.10) = 1.692% kept Peak 1319 (2.91, 8.09, 121.65 ppm): 14 chemical-shift based assignments, quality = 0.655, support = 2.85, residual support = 6.71: HB2 ASP- 78 - HN LEU 80 7.143% * 35.2905% (0.90 3.44 3.49) = 35.291% kept QE LYS+ 33 - HN ALA 34 7.143% * 26.0133% (0.50 4.56 19.91) = 26.013% kept HB2 ASP- 78 - HN ALA 34 7.143% * 14.2222% (0.71 1.74 1.31) = 14.222% kept HB2 ASP- 76 - HN LEU 80 7.143% * 6.4898% (0.45 1.26 0.28) = 6.490% kept QE LYS+ 33 - HN LEU 80 7.143% * 5.4531% (0.63 0.76 1.48) = 5.453% kept HB2 ASN 28 - HN ALA 34 7.143% * 3.5716% (0.39 0.80 0.02) = 3.572% kept HB2 ASN 69 - HN LEU 80 7.143% * 3.0197% (0.33 0.81 0.02) = 3.020% kept HB2 ASN 28 - HN LEU 80 7.143% * 2.9344% (0.49 0.52 0.48) = 2.934% kept QE LYS+ 65 - HN ALA 34 7.143% * 2.2748% (0.26 0.76 0.02) = 2.275% kept HB2 ASP- 76 - HN ALA 34 7.143% * 0.5359% (0.36 0.13 0.02) = 0.536% QE LYS+ 65 - HN LEU 80 7.143% * 0.0749% (0.33 0.02 0.02) = 0.075% HB2 ASN 69 - HN ALA 34 7.143% * 0.0597% (0.26 0.02 0.02) = 0.060% HB2 ASP- 86 - HN LEU 80 7.143% * 0.0335% (0.15 0.02 0.02) = 0.033% HB2 ASP- 86 - HN ALA 34 7.143% * 0.0266% (0.12 0.02 0.02) = 0.027% Peak 1320 (2.33, 8.09, 121.65 ppm): 14 chemical-shift based assignments, quality = 0.432, support = 2.6, residual support = 9.47: HB2 GLU- 79 - HN LEU 80 7.143% * 47.1490% (0.33 4.66 18.81) = 47.149% kept HB2 GLU- 79 - HN ALA 34 7.143% * 14.0349% (0.26 1.74 3.80) = 14.035% kept HG2 PRO 52 - HN LEU 80 7.143% * 12.3132% (0.75 0.53 0.40) = 12.313% kept HG3 GLU- 25 - HN ALA 34 7.143% * 9.3047% (0.71 0.42 0.13) = 9.305% kept HG2 PRO 52 - HN ALA 34 7.143% * 5.0497% (0.60 0.27 0.02) = 5.050% kept HG3 GLU- 25 - HN LEU 80 7.143% * 4.0973% (0.90 0.15 0.02) = 4.097% kept HG3 GLU- 36 - HN ALA 34 7.143% * 2.9778% (0.16 0.62 0.11) = 2.978% kept QG GLU- 114 - HN ALA 34 7.143% * 1.8637% (0.20 0.30 0.02) = 1.864% kept QG GLU- 114 - HN LEU 80 7.143% * 1.7391% (0.26 0.22 0.02) = 1.739% kept HG3 GLU- 36 - HN LEU 80 7.143% * 1.0034% (0.20 0.17 0.02) = 1.003% kept HB2 PRO 58 - HN LEU 80 7.143% * 0.1390% (0.23 0.02 0.02) = 0.139% HG2 MET 92 - HN LEU 80 7.143% * 0.1212% (0.20 0.02 0.02) = 0.121% HB2 PRO 58 - HN ALA 34 7.143% * 0.1107% (0.18 0.02 0.02) = 0.111% HG2 MET 92 - HN ALA 34 7.143% * 0.0964% (0.16 0.02 0.02) = 0.096% Peak 1321 (4.01, 8.09, 121.65 ppm): 18 chemical-shift based assignments, quality = 0.728, support = 4.71, residual support = 13.7: O HA LYS+ 33 - HN ALA 34 5.556% * 66.6402% (0.73 10.0 6.16 19.91) = 66.640% kept HA GLU- 29 - HN ALA 34 5.556% * 9.8060% (0.70 1.0 3.10 2.64) = 9.806% kept HA LYS+ 33 - HN LEU 80 5.556% * 6.1937% (0.92 1.0 1.48 1.48) = 6.194% kept HB2 SER 82 - HN ALA 34 5.556% * 5.5119% (0.63 1.0 1.94 0.73) = 5.512% kept HA GLU- 29 - HN LEU 80 5.556% * 2.6013% (0.88 1.0 0.65 0.02) = 2.601% kept HA GLN 116 - HN LEU 80 5.556% * 2.3916% (0.75 1.0 0.70 0.15) = 2.392% kept HA VAL 18 - HN ALA 34 5.556% * 2.1600% (0.68 1.0 0.70 0.02) = 2.160% kept HB2 SER 82 - HN LEU 80 5.556% * 1.8236% (0.79 1.0 0.51 0.15) = 1.824% kept HA GLN 32 - HN ALA 34 5.556% * 1.5114% (0.12 1.0 2.87 0.02) = 1.511% kept HA GLN 116 - HN ALA 34 5.556% * 1.0600% (0.60 1.0 0.39 0.02) = 1.060% kept HA VAL 18 - HN LEU 80 5.556% * 0.0773% (0.85 1.0 0.02 0.02) = 0.077% HA VAL 70 - HN LEU 80 5.556% * 0.0682% (0.75 1.0 0.02 0.02) = 0.068% HA VAL 70 - HN ALA 34 5.556% * 0.0543% (0.60 1.0 0.02 0.02) = 0.054% HA SER 48 - HN LEU 80 5.556% * 0.0332% (0.37 1.0 0.02 0.02) = 0.033% HA SER 48 - HN ALA 34 5.556% * 0.0264% (0.29 1.0 0.02 0.02) = 0.026% HA ALA 88 - HN LEU 80 5.556% * 0.0154% (0.17 1.0 0.02 0.02) = 0.015% HA GLN 32 - HN LEU 80 5.556% * 0.0133% (0.15 1.0 0.02 0.02) = 0.013% HA ALA 88 - HN ALA 34 5.556% * 0.0123% (0.14 1.0 0.02 0.02) = 0.012% Peak 1322 (8.28, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.52, support = 1.05, residual support = 1.88: HN GLU- 29 - HN ALA 34 25.000% * 71.0418% (0.49 1.34 2.64) = 71.042% kept HN VAL 18 - HN ALA 34 25.000% * 26.7792% (0.63 0.39 0.02) = 26.779% kept HN VAL 18 - HN LEU 80 25.000% * 1.2299% (0.56 0.02 0.02) = 1.230% kept HN GLU- 29 - HN LEU 80 25.000% * 0.9491% (0.43 0.02 0.02) = 0.949% Peak 1323 (8.28, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.382, support = 0.974, residual support = 1.68: HN GLU- 29 - HN ALA 34 25.000% * 63.0605% (0.29 1.34 2.64) = 63.060% kept HN VAL 18 - HN ALA 34 25.000% * 33.5841% (0.53 0.39 0.02) = 33.584% kept HN VAL 18 - HN LEU 80 25.000% * 2.1701% (0.67 0.02 0.02) = 2.170% kept HN GLU- 29 - HN LEU 80 25.000% * 1.1853% (0.37 0.02 0.02) = 1.185% kept Peak 1325 (8.38, 8.09, 121.65 ppm): 8 chemical-shift based assignments, quality = 0.455, support = 3.05, residual support = 9.86: T HN ASN 35 - HN ALA 34 12.500% * 75.0943% (0.43 10.00 3.91 13.07) = 75.094% kept T HN ASN 35 - HN LEU 80 12.500% * 16.8091% (0.54 10.00 0.36 0.02) = 16.809% kept HN ALA 12 - HN ALA 34 12.500% * 5.9658% (0.73 1.00 0.93 0.71) = 5.966% kept HN LEU 115 - HN ALA 34 12.500% * 0.9954% (0.14 1.00 0.84 0.51) = 0.995% HN LEU 115 - HN LEU 80 12.500% * 0.9204% (0.17 1.00 0.62 0.22) = 0.920% HN ALA 12 - HN LEU 80 12.500% * 0.1615% (0.92 1.00 0.02 0.02) = 0.162% HN PHE 97 - HN LEU 80 12.500% * 0.0298% (0.17 1.00 0.02 0.02) = 0.030% HN PHE 97 - HN ALA 34 12.500% * 0.0237% (0.14 1.00 0.02 0.02) = 0.024% Peak 1326 (7.29, 8.09, 121.65 ppm): 6 chemical-shift based assignments, quality = 0.849, support = 3.63, residual support = 14.3: HN LYS+ 81 - HN LEU 80 16.667% * 69.1941% (0.91 4.24 19.64) = 69.194% kept HN LYS+ 81 - HN ALA 34 16.667% * 30.1325% (0.73 2.32 2.26) = 30.132% kept QD PHE 60 - HN LEU 80 16.667% * 0.2829% (0.79 0.02 0.02) = 0.283% QD PHE 60 - HN ALA 34 16.667% * 0.2252% (0.63 0.02 0.02) = 0.225% HN LYS+ 66 - HN LEU 80 16.667% * 0.0920% (0.26 0.02 0.02) = 0.092% HN LYS+ 66 - HN ALA 34 16.667% * 0.0732% (0.20 0.02 0.02) = 0.073% Peak 1327 (1.34, 8.16, 121.97 ppm): 11 chemical-shift based assignments, quality = 0.693, support = 0.412, residual support = 0.287: HG2 LYS+ 111 - HN GLU- 114 9.091% * 50.4982% (0.63 0.60 0.49) = 50.498% kept HB2 LEU 31 - HN GLU- 114 9.091% * 31.9219% (0.73 0.33 0.12) = 31.922% kept HB3 ASP- 44 - HN GLU- 114 9.091% * 2.6635% (1.00 0.02 0.02) = 2.663% kept HB2 LEU 63 - HN GLU- 114 9.091% * 2.5879% (0.97 0.02 0.02) = 2.588% kept QB ALA 124 - HN GLU- 114 9.091% * 2.5305% (0.95 0.02 0.02) = 2.531% kept HB3 LEU 80 - HN GLU- 114 9.091% * 2.3737% (0.89 0.02 0.02) = 2.374% kept HG LEU 98 - HN GLU- 114 9.091% * 2.2769% (0.85 0.02 0.02) = 2.277% kept QB ALA 84 - HN GLU- 114 9.091% * 1.9341% (0.73 0.02 0.02) = 1.934% kept HB3 PRO 93 - HN GLU- 114 9.091% * 1.8084% (0.68 0.02 0.02) = 1.808% kept HG2 LYS+ 99 - HN GLU- 114 9.091% * 0.8390% (0.31 0.02 0.02) = 0.839% HG2 LYS+ 38 - HN GLU- 114 9.091% * 0.5660% (0.21 0.02 0.02) = 0.566% Not enough support, support cutoff is 0.42 Peak unassigned. Peaks: selected : 1094 with diagonal assignment : 129 without assignment possibility : 6 with one assignment possibility : 62 with multiple assignment possibilities : 897 with given assignment possibilities : 0 with unique volume contribution : 259 with multiple volume contributions : 700 eliminated by violation filter : 0 Peaks: selected : 1094 without assignment : 83 with assignment : 1011 with unique assignment : 366 with multiple assignment : 645 with reference assignment : 129 with identical reference assignment : 110 with compatible reference assignment : 19 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 882 Atoms with eliminated volume contribution > 2.5: HN VAL 41 3.0 HN ASP- 44 3.0 HA PHE 45 2.7 HN THR 46 3.0 Peak 1 (4.29, 4.29, 56.56 ppm): 2 diagonal assignments: * HA MET 11 - HA MET 11 (1.00) kept HA GLU- 14 - HA GLU- 14 (0.07) kept Peak 4 (2.08, 4.29, 56.56 ppm): 12 chemical-shift based assignments, quality = 0.864, support = 3.0, residual support = 31.8: * O T HG2 MET 11 - HA MET 11 8.333% * 63.3287% (1.00 10.0 10.00 3.77 40.44) = 63.329% kept T HB2 GLU- 14 - HA MET 11 8.333% * 18.7110% (1.00 1.0 10.00 0.59 0.12) = 18.711% kept O T HB2 GLU- 14 - HA GLU- 14 8.333% * 16.7538% (0.26 10.0 10.00 2.96 36.78) = 16.754% kept HG2 PRO 58 - HA MET 11 8.333% * 0.9093% (0.97 1.0 1.00 0.30 0.02) = 0.909% T HG2 MET 11 - HA GLU- 14 8.333% * 0.1681% (0.27 1.0 10.00 0.02 0.12) = 0.168% HG3 PRO 52 - HA MET 11 8.333% * 0.0615% (0.97 1.0 1.00 0.02 0.02) = 0.062% HB2 PRO 93 - HA MET 11 8.333% * 0.0176% (0.28 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 58 - HA GLU- 14 8.333% * 0.0163% (0.26 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 52 - HA GLU- 14 8.333% * 0.0163% (0.26 1.0 1.00 0.02 0.02) = 0.016% HB2 PRO 68 - HA MET 11 8.333% * 0.0100% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 93 - HA GLU- 14 8.333% * 0.0047% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 68 - HA GLU- 14 8.333% * 0.0027% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 5 (1.92, 4.29, 56.56 ppm): 12 chemical-shift based assignments, quality = 0.855, support = 3.39, residual support = 36.1: * O T HG3 MET 11 - HA MET 11 8.333% * 72.8998% (1.00 10.0 10.00 3.89 40.44) = 72.900% kept O T HB3 GLU- 14 - HA GLU- 14 8.333% * 17.8602% (0.24 10.0 10.00 2.96 36.78) = 17.860% kept T HB3 GLU- 14 - HA MET 11 8.333% * 8.9322% (0.92 1.0 10.00 0.27 0.12) = 8.932% kept T HG3 MET 11 - HA GLU- 14 8.333% * 0.1935% (0.27 1.0 10.00 0.02 0.12) = 0.193% HB3 MET 96 - HA MET 11 8.333% * 0.0424% (0.58 1.0 1.00 0.02 0.02) = 0.042% HB3 PRO 58 - HA MET 11 8.333% * 0.0230% (0.31 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 40 - HA MET 11 8.333% * 0.0134% (0.18 1.0 1.00 0.02 0.02) = 0.013% HB2 MET 92 - HA MET 11 8.333% * 0.0115% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB3 MET 96 - HA GLU- 14 8.333% * 0.0113% (0.15 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 58 - HA GLU- 14 8.333% * 0.0061% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 40 - HA GLU- 14 8.333% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 MET 92 - HA GLU- 14 8.333% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 6 (4.29, 2.08, 30.22 ppm): 22 chemical-shift based assignments, quality = 0.835, support = 3.34, residual support = 34.8: * O T HA MET 11 - HG2 MET 11 4.545% * 77.7088% (1.00 10.0 10.00 3.77 40.44) = 77.709% kept T HA MET 11 - HB2 GLU- 14 4.545% * 8.6170% (0.37 1.0 10.00 0.59 0.12) = 8.617% kept O T HA GLU- 14 - HB2 GLU- 14 4.545% * 8.0830% (0.10 10.0 10.00 2.96 36.78) = 8.083% kept HA ALA 12 - HG2 MET 11 4.545% * 4.2901% (0.40 1.0 1.00 2.78 10.29) = 4.290% kept HA ALA 12 - HB2 GLU- 14 4.545% * 0.5270% (0.15 1.0 1.00 0.91 0.02) = 0.527% T HA GLU- 14 - HG2 MET 11 4.545% * 0.2161% (0.28 1.0 10.00 0.02 0.12) = 0.216% HA ASP- 44 - HG2 MET 11 4.545% * 0.0775% (1.00 1.0 1.00 0.02 0.02) = 0.077% HB THR 77 - HG2 MET 11 4.545% * 0.0755% (0.97 1.0 1.00 0.02 0.02) = 0.076% HA SER 85 - HG2 MET 11 4.545% * 0.0755% (0.97 1.0 1.00 0.02 0.02) = 0.076% HA ILE 103 - HG2 MET 11 4.545% * 0.0693% (0.89 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 79 - HG2 MET 11 4.545% * 0.0343% (0.44 1.0 1.00 0.02 0.02) = 0.034% HA ASP- 44 - HB2 GLU- 14 4.545% * 0.0290% (0.37 1.0 1.00 0.02 0.02) = 0.029% HB THR 77 - HB2 GLU- 14 4.545% * 0.0282% (0.36 1.0 1.00 0.02 0.02) = 0.028% HA SER 85 - HB2 GLU- 14 4.545% * 0.0282% (0.36 1.0 1.00 0.02 0.02) = 0.028% HA THR 39 - HG2 MET 11 4.545% * 0.0276% (0.35 1.0 1.00 0.02 0.02) = 0.028% HA ASP- 86 - HG2 MET 11 4.545% * 0.0276% (0.35 1.0 1.00 0.02 0.02) = 0.028% HA ILE 103 - HB2 GLU- 14 4.545% * 0.0259% (0.33 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 51 - HG2 MET 11 4.545% * 0.0189% (0.24 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 79 - HB2 GLU- 14 4.545% * 0.0128% (0.16 1.0 1.00 0.02 0.02) = 0.013% HA THR 39 - HB2 GLU- 14 4.545% * 0.0103% (0.13 1.0 1.00 0.02 0.02) = 0.010% HA ASP- 86 - HB2 GLU- 14 4.545% * 0.0103% (0.13 1.0 1.00 0.02 0.02) = 0.010% HA1 GLY 51 - HB2 GLU- 14 4.545% * 0.0071% (0.09 1.0 1.00 0.02 0.02) = 0.007% Peak 7 (2.29, 2.08, 30.22 ppm): 20 chemical-shift based assignments, quality = 0.748, support = 2.74, residual support = 31.8: * O T QB MET 11 - HG2 MET 11 5.000% * 67.4760% (1.00 10.0 10.00 3.09 40.44) = 67.476% kept T QG GLU- 15 - HB2 GLU- 14 5.000% * 15.4907% (0.24 1.0 10.00 1.95 2.80) = 15.491% kept O T QG GLU- 14 - HB2 GLU- 14 5.000% * 11.1270% (0.16 10.0 10.00 3.00 36.78) = 11.127% kept T QB MET 11 - HB2 GLU- 14 5.000% * 4.8012% (0.37 1.0 10.00 0.38 0.12) = 4.801% kept T QG GLU- 15 - HG2 MET 11 5.000% * 0.4256% (0.63 1.0 10.00 0.02 0.02) = 0.426% T QG GLU- 14 - HG2 MET 11 5.000% * 0.2974% (0.44 1.0 10.00 0.02 0.12) = 0.297% T HG3 GLU- 36 - HG2 MET 11 5.000% * 0.1645% (0.24 1.0 10.00 0.02 0.02) = 0.165% T HG3 GLU- 36 - HB2 GLU- 14 5.000% * 0.0616% (0.09 1.0 10.00 0.02 0.02) = 0.062% HB2 ASP- 44 - HG2 MET 11 5.000% * 0.0328% (0.49 1.0 1.00 0.02 0.02) = 0.033% HB3 PHE 72 - HG2 MET 11 5.000% * 0.0239% (0.35 1.0 1.00 0.02 0.02) = 0.024% QG GLN 90 - HG2 MET 11 5.000% * 0.0188% (0.28 1.0 1.00 0.02 0.02) = 0.019% HG2 MET 92 - HG2 MET 11 5.000% * 0.0165% (0.24 1.0 1.00 0.02 0.02) = 0.016% QG GLU- 114 - HG2 MET 11 5.000% * 0.0124% (0.18 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 44 - HB2 GLU- 14 5.000% * 0.0123% (0.18 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 79 - HG2 MET 11 5.000% * 0.0091% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 PHE 72 - HB2 GLU- 14 5.000% * 0.0090% (0.13 1.0 1.00 0.02 0.02) = 0.009% QG GLN 90 - HB2 GLU- 14 5.000% * 0.0070% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG2 MET 92 - HB2 GLU- 14 5.000% * 0.0062% (0.09 1.0 1.00 0.02 0.02) = 0.006% QG GLU- 114 - HB2 GLU- 14 5.000% * 0.0046% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 79 - HB2 GLU- 14 5.000% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 9 (2.08, 2.08, 30.22 ppm): 2 diagonal assignments: * HG2 MET 11 - HG2 MET 11 (1.00) kept HB2 GLU- 14 - HB2 GLU- 14 (0.37) kept Peak 10 (1.92, 2.08, 30.22 ppm): 12 chemical-shift based assignments, quality = 0.806, support = 3.03, residual support = 34.3: * O T HG3 MET 11 - HG2 MET 11 8.333% * 64.5591% (1.00 10.0 10.00 3.58 40.44) = 64.559% kept O T HB3 GLU- 14 - HB2 GLU- 14 8.333% * 22.2954% (0.35 10.0 10.00 3.00 36.78) = 22.295% kept T HB3 GLU- 14 - HG2 MET 11 8.333% * 6.4064% (0.92 1.0 10.00 0.21 0.12) = 6.406% kept T HG3 MET 11 - HB2 GLU- 14 8.333% * 6.3776% (0.37 1.0 10.00 0.53 0.12) = 6.378% kept T HB3 PRO 58 - HG2 MET 11 8.333% * 0.2034% (0.31 1.0 10.00 0.02 0.02) = 0.203% T HB3 PRO 58 - HB2 GLU- 14 8.333% * 0.0761% (0.12 1.0 10.00 0.02 0.02) = 0.076% HB3 MET 96 - HG2 MET 11 8.333% * 0.0376% (0.58 1.0 1.00 0.02 0.02) = 0.038% HB3 MET 96 - HB2 GLU- 14 8.333% * 0.0141% (0.22 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 40 - HG2 MET 11 8.333% * 0.0119% (0.18 1.0 1.00 0.02 0.02) = 0.012% HB2 MET 92 - HG2 MET 11 8.333% * 0.0102% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 40 - HB2 GLU- 14 8.333% * 0.0044% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB2 MET 92 - HB2 GLU- 14 8.333% * 0.0038% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 11 (4.29, 1.92, 30.22 ppm): 22 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 36.9: * O T HA MET 11 - HG3 MET 11 4.545% * 82.7465% (1.00 10.0 10.00 3.89 40.44) = 82.747% kept O T HA GLU- 14 - HB3 GLU- 14 4.545% * 7.9708% (0.10 10.0 10.00 2.96 36.78) = 7.971% kept HA ALA 12 - HG3 MET 11 4.545% * 4.6539% (0.40 1.0 1.00 2.84 10.29) = 4.654% kept T HA MET 11 - HB3 GLU- 14 4.545% * 3.8052% (0.35 1.0 10.00 0.27 0.12) = 3.805% kept T HA GLU- 14 - HG3 MET 11 4.545% * 0.2301% (0.28 1.0 10.00 0.02 0.12) = 0.230% HA ASP- 44 - HG3 MET 11 4.545% * 0.0825% (1.00 1.0 1.00 0.02 0.02) = 0.082% HB THR 77 - HG3 MET 11 4.545% * 0.0804% (0.97 1.0 1.00 0.02 0.02) = 0.080% HA SER 85 - HG3 MET 11 4.545% * 0.0804% (0.97 1.0 1.00 0.02 0.02) = 0.080% HA ILE 103 - HG3 MET 11 4.545% * 0.0737% (0.89 1.0 1.00 0.02 0.02) = 0.074% HA GLU- 79 - HG3 MET 11 4.545% * 0.0365% (0.44 1.0 1.00 0.02 0.02) = 0.036% HA THR 39 - HG3 MET 11 4.545% * 0.0293% (0.35 1.0 1.00 0.02 0.02) = 0.029% HA ASP- 86 - HG3 MET 11 4.545% * 0.0293% (0.35 1.0 1.00 0.02 0.02) = 0.029% HA ASP- 44 - HB3 GLU- 14 4.545% * 0.0286% (0.35 1.0 1.00 0.02 0.02) = 0.029% HB THR 77 - HB3 GLU- 14 4.545% * 0.0279% (0.34 1.0 1.00 0.02 0.02) = 0.028% HA SER 85 - HB3 GLU- 14 4.545% * 0.0279% (0.34 1.0 1.00 0.02 0.02) = 0.028% HA ILE 103 - HB3 GLU- 14 4.545% * 0.0255% (0.31 1.0 1.00 0.02 0.02) = 0.026% HA1 GLY 51 - HG3 MET 11 4.545% * 0.0202% (0.24 1.0 1.00 0.02 0.02) = 0.020% HA GLU- 79 - HB3 GLU- 14 4.545% * 0.0126% (0.15 1.0 1.00 0.02 0.02) = 0.013% HA ALA 12 - HB3 GLU- 14 4.545% * 0.0114% (0.14 1.0 1.00 0.02 0.02) = 0.011% HA THR 39 - HB3 GLU- 14 4.545% * 0.0102% (0.12 1.0 1.00 0.02 0.02) = 0.010% HA ASP- 86 - HB3 GLU- 14 4.545% * 0.0102% (0.12 1.0 1.00 0.02 0.02) = 0.010% HA1 GLY 51 - HB3 GLU- 14 4.545% * 0.0070% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 12 (2.29, 1.92, 30.22 ppm): 20 chemical-shift based assignments, quality = 0.764, support = 2.85, residual support = 32.9: * O T QB MET 11 - HG3 MET 11 5.000% * 70.5400% (1.00 10.0 10.00 3.19 40.44) = 70.540% kept T QG GLU- 15 - HB3 GLU- 14 5.000% * 14.2966% (0.22 1.0 10.00 1.85 2.80) = 14.297% kept O T QG GLU- 14 - HB3 GLU- 14 5.000% * 10.7723% (0.15 10.0 10.00 3.00 36.78) = 10.772% kept T QB MET 11 - HB3 GLU- 14 5.000% * 3.2438% (0.35 1.0 10.00 0.27 0.12) = 3.244% kept T QG GLU- 15 - HG3 MET 11 5.000% * 0.4450% (0.63 1.0 10.00 0.02 0.02) = 0.445% T QG GLU- 14 - HG3 MET 11 5.000% * 0.3109% (0.44 1.0 10.00 0.02 0.12) = 0.311% T HG3 GLU- 36 - HG3 MET 11 5.000% * 0.1720% (0.24 1.0 10.00 0.02 0.02) = 0.172% T HG3 GLU- 36 - HB3 GLU- 14 5.000% * 0.0596% (0.08 1.0 10.00 0.02 0.02) = 0.060% HB2 ASP- 44 - HG3 MET 11 5.000% * 0.0343% (0.49 1.0 1.00 0.02 0.02) = 0.034% HB3 PHE 72 - HG3 MET 11 5.000% * 0.0250% (0.35 1.0 1.00 0.02 0.02) = 0.025% QG GLN 90 - HG3 MET 11 5.000% * 0.0196% (0.28 1.0 1.00 0.02 0.02) = 0.020% HG2 MET 92 - HG3 MET 11 5.000% * 0.0172% (0.24 1.0 1.00 0.02 0.02) = 0.017% QG GLU- 114 - HG3 MET 11 5.000% * 0.0130% (0.18 1.0 1.00 0.02 0.02) = 0.013% HB2 ASP- 44 - HB3 GLU- 14 5.000% * 0.0119% (0.17 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 79 - HG3 MET 11 5.000% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 PHE 72 - HB3 GLU- 14 5.000% * 0.0087% (0.12 1.0 1.00 0.02 0.02) = 0.009% QG GLN 90 - HB3 GLU- 14 5.000% * 0.0068% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG2 MET 92 - HB3 GLU- 14 5.000% * 0.0060% (0.08 1.0 1.00 0.02 0.02) = 0.006% QG GLU- 114 - HB3 GLU- 14 5.000% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB2 GLU- 79 - HB3 GLU- 14 5.000% * 0.0033% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 14 (2.08, 1.92, 30.22 ppm): 12 chemical-shift based assignments, quality = 0.849, support = 2.92, residual support = 32.7: * O T HG2 MET 11 - HG3 MET 11 8.333% * 61.4603% (1.00 10.0 10.00 3.58 40.44) = 61.460% kept O T HB2 GLU- 14 - HB3 GLU- 14 8.333% * 21.2252% (0.35 10.0 10.00 3.00 36.78) = 21.225% kept T HB2 GLU- 14 - HG3 MET 11 8.333% * 16.1773% (1.00 1.0 10.00 0.53 0.12) = 16.177% kept HG2 PRO 58 - HG3 MET 11 8.333% * 0.7871% (0.97 1.0 1.00 0.26 0.02) = 0.787% T HG2 MET 11 - HB3 GLU- 14 8.333% * 0.2129% (0.35 1.0 10.00 0.02 0.12) = 0.213% HG3 PRO 52 - HG3 MET 11 8.333% * 0.0597% (0.97 1.0 1.00 0.02 0.02) = 0.060% HG2 PRO 58 - HB3 GLU- 14 8.333% * 0.0207% (0.34 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 52 - HB3 GLU- 14 8.333% * 0.0207% (0.34 1.0 1.00 0.02 0.02) = 0.021% HB2 PRO 93 - HG3 MET 11 8.333% * 0.0171% (0.28 1.0 1.00 0.02 0.02) = 0.017% HB2 PRO 68 - HG3 MET 11 8.333% * 0.0097% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB2 PRO 93 - HB3 GLU- 14 8.333% * 0.0059% (0.10 1.0 1.00 0.02 0.02) = 0.006% HB2 PRO 68 - HB3 GLU- 14 8.333% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 15 (1.92, 1.92, 30.22 ppm): 2 diagonal assignments: * HG3 MET 11 - HG3 MET 11 (1.00) kept HB3 GLU- 14 - HB3 GLU- 14 (0.32) kept Peak 16 (4.29, 2.29, 36.10 ppm): 44 chemical-shift based assignments, quality = 0.853, support = 3.11, residual support = 36.3: * O T HA MET 11 - QB MET 11 2.273% * 83.1838% (1.00 10.0 10.00 3.34 40.44) = 83.184% kept O T HA GLU- 14 - QG GLU- 14 2.273% * 5.8436% (0.07 10.0 10.00 2.78 36.78) = 5.844% kept T HA GLU- 14 - QG GLU- 15 2.273% * 4.5176% (0.06 1.0 10.00 1.87 2.80) = 4.518% kept HA ALA 12 - QB MET 11 2.273% * 3.6944% (0.40 1.0 1.00 2.24 10.29) = 3.694% kept T HA ASP- 44 - QB MET 11 2.273% * 0.8292% (1.00 1.0 10.00 0.02 0.02) = 0.829% T HA GLU- 79 - QB MET 11 2.273% * 0.3667% (0.44 1.0 10.00 0.02 0.02) = 0.367% T HA GLU- 14 - QB MET 11 2.273% * 0.2313% (0.28 1.0 10.00 0.02 0.12) = 0.231% T HA MET 11 - QG GLU- 14 2.273% * 0.2102% (0.25 1.0 10.00 0.02 0.12) = 0.210% T HA ASP- 44 - QG GLU- 14 2.273% * 0.2095% (0.25 1.0 10.00 0.02 0.02) = 0.210% T HA MET 11 - QG GLU- 15 2.273% * 0.1742% (0.21 1.0 10.00 0.02 0.02) = 0.174% T HA ASP- 44 - QG GLU- 15 2.273% * 0.1736% (0.21 1.0 10.00 0.02 0.02) = 0.174% HA SER 85 - QB MET 11 2.273% * 0.0808% (0.97 1.0 1.00 0.02 0.02) = 0.081% HB THR 77 - QB MET 11 2.273% * 0.0808% (0.97 1.0 1.00 0.02 0.02) = 0.081% HA ILE 103 - QB MET 11 2.273% * 0.0741% (0.89 1.0 1.00 0.02 0.02) = 0.074% T HA GLU- 79 - HG3 GLU- 36 2.273% * 0.0297% (0.04 1.0 10.00 0.02 0.02) = 0.030% HA THR 39 - QB MET 11 2.273% * 0.0295% (0.35 1.0 1.00 0.02 0.02) = 0.029% HA ASP- 86 - QB MET 11 2.273% * 0.0295% (0.35 1.0 1.00 0.02 0.02) = 0.029% HB THR 77 - QG GLU- 14 2.273% * 0.0204% (0.25 1.0 1.00 0.02 0.02) = 0.020% HA SER 85 - QG GLU- 14 2.273% * 0.0204% (0.25 1.0 1.00 0.02 0.02) = 0.020% HA1 GLY 51 - QB MET 11 2.273% * 0.0203% (0.24 1.0 1.00 0.02 0.02) = 0.020% HA ILE 103 - QG GLU- 14 2.273% * 0.0187% (0.23 1.0 1.00 0.02 0.02) = 0.019% HA SER 85 - QG GLU- 15 2.273% * 0.0169% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB THR 77 - QG GLU- 15 2.273% * 0.0169% (0.20 1.0 1.00 0.02 0.02) = 0.017% HA ILE 103 - QG GLU- 15 2.273% * 0.0155% (0.19 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 79 - QG GLU- 14 2.273% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% HA ALA 12 - QG GLU- 14 2.273% * 0.0083% (0.10 1.0 1.00 0.02 0.02) = 0.008% HA GLU- 79 - QG GLU- 15 2.273% * 0.0077% (0.09 1.0 1.00 0.02 0.02) = 0.008% HA ASP- 86 - QG GLU- 14 2.273% * 0.0075% (0.09 1.0 1.00 0.02 0.02) = 0.007% HA THR 39 - QG GLU- 14 2.273% * 0.0075% (0.09 1.0 1.00 0.02 0.02) = 0.007% HA ALA 12 - QG GLU- 15 2.273% * 0.0069% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA MET 11 - HG3 GLU- 36 2.273% * 0.0067% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA ASP- 44 - HG3 GLU- 36 2.273% * 0.0067% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA SER 85 - HG3 GLU- 36 2.273% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB THR 77 - HG3 GLU- 36 2.273% * 0.0065% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA THR 39 - QG GLU- 15 2.273% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 86 - QG GLU- 15 2.273% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA ILE 103 - HG3 GLU- 36 2.273% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA1 GLY 51 - QG GLU- 14 2.273% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA1 GLY 51 - QG GLU- 15 2.273% * 0.0042% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA ALA 12 - HG3 GLU- 36 2.273% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA THR 39 - HG3 GLU- 36 2.273% * 0.0024% (0.03 1.0 1.00 0.02 1.11) = 0.002% HA ASP- 86 - HG3 GLU- 36 2.273% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% HA GLU- 14 - HG3 GLU- 36 2.273% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA1 GLY 51 - HG3 GLU- 36 2.273% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 17 (2.29, 2.29, 36.10 ppm): 4 diagonal assignments: * QB MET 11 - QB MET 11 (1.00) kept QG GLU- 15 - QG GLU- 15 (0.13) kept QG GLU- 14 - QG GLU- 14 (0.11) kept HG3 GLU- 36 - HG3 GLU- 36 (0.02) kept Peak 19 (2.08, 2.29, 36.10 ppm): 24 chemical-shift based assignments, quality = 0.779, support = 2.55, residual support = 29.7: * O T HG2 MET 11 - QB MET 11 4.167% * 58.9583% (1.00 10.0 10.00 3.09 40.44) = 58.958% kept O T HB2 GLU- 14 - QG GLU- 14 4.167% * 14.8488% (0.25 10.0 10.00 3.00 36.78) = 14.849% kept T HB2 GLU- 14 - QG GLU- 15 4.167% * 11.9734% (0.21 1.0 10.00 1.95 2.80) = 11.973% kept T HB2 GLU- 14 - QB MET 11 4.167% * 11.1777% (1.00 1.0 10.00 0.38 0.12) = 11.178% kept HG3 PRO 52 - QB MET 11 4.167% * 1.6421% (0.97 1.0 1.00 0.57 0.02) = 1.642% kept HG2 PRO 58 - QB MET 11 4.167% * 0.8465% (0.97 1.0 1.00 0.30 0.02) = 0.847% T HG2 MET 11 - QG GLU- 14 4.167% * 0.1490% (0.25 1.0 10.00 0.02 0.12) = 0.149% T HG2 MET 11 - QG GLU- 15 4.167% * 0.1235% (0.21 1.0 10.00 0.02 0.02) = 0.123% T HG2 MET 11 - HG3 GLU- 36 4.167% * 0.0477% (0.08 1.0 10.00 0.02 0.02) = 0.048% T HB2 GLU- 14 - HG3 GLU- 36 4.167% * 0.0476% (0.08 1.0 10.00 0.02 0.02) = 0.048% T HG2 PRO 58 - HG3 GLU- 36 4.167% * 0.0464% (0.08 1.0 10.00 0.02 0.02) = 0.046% T HG3 PRO 52 - HG3 GLU- 36 4.167% * 0.0464% (0.08 1.0 10.00 0.02 0.02) = 0.046% HB2 PRO 93 - QB MET 11 4.167% * 0.0164% (0.28 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 52 - QG GLU- 14 4.167% * 0.0145% (0.25 1.0 1.00 0.02 0.02) = 0.014% HG2 PRO 58 - QG GLU- 14 4.167% * 0.0145% (0.25 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 52 - QG GLU- 15 4.167% * 0.0120% (0.20 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 58 - QG GLU- 15 4.167% * 0.0120% (0.20 1.0 1.00 0.02 0.02) = 0.012% HB2 PRO 68 - QB MET 11 4.167% * 0.0093% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB2 PRO 93 - QG GLU- 14 4.167% * 0.0041% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 93 - QG GLU- 15 4.167% * 0.0034% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB2 PRO 68 - QG GLU- 14 4.167% * 0.0024% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB2 PRO 68 - QG GLU- 15 4.167% * 0.0020% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 PRO 93 - HG3 GLU- 36 4.167% * 0.0013% (0.02 1.0 1.00 0.02 0.02) = 0.001% HB2 PRO 68 - HG3 GLU- 36 4.167% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 20 (1.92, 2.29, 36.10 ppm): 24 chemical-shift based assignments, quality = 0.779, support = 2.76, residual support = 32.1: * O T HG3 MET 11 - QB MET 11 4.167% * 64.7754% (1.00 10.0 10.00 3.19 40.44) = 64.775% kept O T HB3 GLU- 14 - QG GLU- 14 4.167% * 15.1078% (0.23 10.0 10.00 3.00 36.78) = 15.108% kept T HB3 GLU- 14 - QG GLU- 15 4.167% * 11.6133% (0.19 1.0 10.00 1.85 2.80) = 11.613% kept T HB3 GLU- 14 - QB MET 11 4.167% * 7.9368% (0.92 1.0 10.00 0.27 0.12) = 7.937% kept T HG3 MET 11 - QG GLU- 14 4.167% * 0.1637% (0.25 1.0 10.00 0.02 0.12) = 0.164% T HG3 MET 11 - QG GLU- 15 4.167% * 0.1357% (0.21 1.0 10.00 0.02 0.02) = 0.136% T HG3 MET 11 - HG3 GLU- 36 4.167% * 0.0524% (0.08 1.0 10.00 0.02 0.02) = 0.052% T HB3 GLU- 14 - HG3 GLU- 36 4.167% * 0.0484% (0.07 1.0 10.00 0.02 0.02) = 0.048% HB3 MET 96 - QB MET 11 4.167% * 0.0377% (0.58 1.0 1.00 0.02 0.02) = 0.038% T HB2 MET 92 - QG GLU- 14 4.167% * 0.0259% (0.04 1.0 10.00 0.02 0.02) = 0.026% T HB2 MET 92 - QG GLU- 15 4.167% * 0.0215% (0.03 1.0 10.00 0.02 0.11) = 0.021% HB3 PRO 58 - QB MET 11 4.167% * 0.0204% (0.31 1.0 1.00 0.02 0.02) = 0.020% HB2 LEU 40 - QB MET 11 4.167% * 0.0119% (0.18 1.0 1.00 0.02 0.02) = 0.012% HB2 MET 92 - QB MET 11 4.167% * 0.0103% (0.16 1.0 1.00 0.02 0.02) = 0.010% HB3 MET 96 - QG GLU- 14 4.167% * 0.0095% (0.15 1.0 1.00 0.02 0.02) = 0.010% HB3 MET 96 - QG GLU- 15 4.167% * 0.0079% (0.12 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 58 - QG GLU- 14 4.167% * 0.0052% (0.08 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 58 - QG GLU- 15 4.167% * 0.0043% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 MET 96 - HG3 GLU- 36 4.167% * 0.0031% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 40 - QG GLU- 14 4.167% * 0.0030% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 40 - QG GLU- 15 4.167% * 0.0025% (0.04 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 58 - HG3 GLU- 36 4.167% * 0.0017% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 LEU 40 - HG3 GLU- 36 4.167% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB2 MET 92 - HG3 GLU- 36 4.167% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 26 (4.31, 4.31, 53.06 ppm): 1 diagonal assignment: * HA ALA 12 - HA ALA 12 (0.66) kept Peak 27 (1.39, 4.31, 53.06 ppm): 12 chemical-shift based assignments, quality = 0.739, support = 1.88, residual support = 11.2: * O T QB ALA 12 - HA ALA 12 8.333% * 96.4385% (0.75 10.0 10.00 1.92 11.62) = 96.439% kept QB LEU 98 - HA ALA 12 8.333% * 2.6469% (0.51 1.0 1.00 0.80 0.02) = 2.647% kept HB3 LEU 73 - HA ALA 12 8.333% * 0.3684% (0.63 1.0 1.00 0.09 0.02) = 0.368% HG3 LYS+ 33 - HA ALA 12 8.333% * 0.0964% (0.75 1.0 1.00 0.02 0.02) = 0.096% HB VAL 42 - HA ALA 12 8.333% * 0.0893% (0.70 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 65 - HA ALA 12 8.333% * 0.0893% (0.70 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 102 - HA ALA 12 8.333% * 0.0759% (0.59 1.0 1.00 0.02 0.02) = 0.076% HB2 LYS+ 112 - HA ALA 12 8.333% * 0.0659% (0.51 1.0 1.00 0.02 0.02) = 0.066% HG3 LYS+ 106 - HA ALA 12 8.333% * 0.0509% (0.40 1.0 1.00 0.02 0.02) = 0.051% HB3 LYS+ 74 - HA ALA 12 8.333% * 0.0329% (0.26 1.0 1.00 0.02 0.02) = 0.033% HD3 LYS+ 121 - HA ALA 12 8.333% * 0.0290% (0.23 1.0 1.00 0.02 0.02) = 0.029% HB2 LEU 80 - HA ALA 12 8.333% * 0.0165% (0.13 1.0 1.00 0.02 0.02) = 0.017% Peak 28 (4.31, 1.39, 19.22 ppm): 5 chemical-shift based assignments, quality = 0.75, support = 1.92, residual support = 11.6: * O T HA ALA 12 - QB ALA 12 20.000% * 99.6531% (0.75 10.0 10.00 1.92 11.62) = 99.653% kept HA LEU 104 - QB ALA 12 20.000% * 0.1129% (0.85 1.0 1.00 0.02 0.02) = 0.113% HA GLU- 14 - QB ALA 12 20.000% * 0.1129% (0.85 1.0 1.00 0.02 0.02) = 0.113% HA ASP- 86 - QB ALA 12 20.000% * 0.1046% (0.79 1.0 1.00 0.02 0.02) = 0.105% HA TRP 87 - QB ALA 12 20.000% * 0.0166% (0.12 1.0 1.00 0.02 0.02) = 0.017% Peak 29 (1.39, 1.39, 19.22 ppm): 1 diagonal assignment: * QB ALA 12 - QB ALA 12 (0.85) kept Peak 30 (4.41, 4.41, 58.75 ppm): 3 diagonal assignments: * HA SER 13 - HA SER 13 (1.00) kept HA THR 46 - HA THR 46 (0.27) kept HA SER 37 - HA SER 37 (0.18) kept Peak 31 (3.86, 4.41, 58.75 ppm): 24 chemical-shift based assignments, quality = 0.806, support = 1.98, residual support = 10.4: * O T QB SER 13 - HA SER 13 4.167% * 69.7410% (1.00 10.0 10.00 1.93 4.86) = 69.741% kept O T HB3 SER 37 - HA SER 37 4.167% * 26.7836% (0.38 10.0 10.00 2.31 25.95) = 26.784% kept HB THR 39 - HA SER 37 4.167% * 1.4203% (0.41 1.0 1.00 0.98 2.58) = 1.420% kept T HB3 SER 37 - HA SER 13 4.167% * 0.6438% (0.92 1.0 10.00 0.02 0.02) = 0.644% T QB SER 13 - HA THR 46 4.167% * 0.3485% (0.50 1.0 10.00 0.02 0.02) = 0.348% T HB3 SER 37 - HA THR 46 4.167% * 0.3217% (0.46 1.0 10.00 0.02 0.02) = 0.322% T QB SER 13 - HA SER 37 4.167% * 0.2901% (0.42 1.0 10.00 0.02 0.02) = 0.290% HB THR 39 - HA SER 13 4.167% * 0.0695% (1.00 1.0 1.00 0.02 0.02) = 0.070% HA ILE 89 - HA SER 13 4.167% * 0.0644% (0.92 1.0 1.00 0.02 0.02) = 0.064% HB3 SER 82 - HA SER 13 4.167% * 0.0568% (0.81 1.0 1.00 0.02 0.02) = 0.057% HB THR 39 - HA THR 46 4.167% * 0.0347% (0.50 1.0 1.00 0.02 0.02) = 0.035% HB THR 118 - HA SER 13 4.167% * 0.0339% (0.49 1.0 1.00 0.02 0.02) = 0.034% HA ILE 89 - HA THR 46 4.167% * 0.0322% (0.46 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 82 - HA THR 46 4.167% * 0.0284% (0.41 1.0 1.00 0.02 0.02) = 0.028% HA ILE 89 - HA SER 37 4.167% * 0.0268% (0.38 1.0 1.00 0.02 0.02) = 0.027% HB3 SER 82 - HA SER 37 4.167% * 0.0236% (0.34 1.0 1.00 0.02 0.02) = 0.024% HB THR 118 - HA THR 46 4.167% * 0.0170% (0.24 1.0 1.00 0.02 0.02) = 0.017% HD3 PRO 52 - HA SER 13 4.167% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB THR 118 - HA SER 37 4.167% * 0.0141% (0.20 1.0 1.00 0.02 0.02) = 0.014% HA GLN 30 - HA SER 13 4.167% * 0.0110% (0.16 1.0 1.00 0.02 0.02) = 0.011% HD3 PRO 52 - HA THR 46 4.167% * 0.0074% (0.11 1.0 1.00 0.02 0.02) = 0.007% HD3 PRO 52 - HA SER 37 4.167% * 0.0062% (0.09 1.0 1.00 0.02 0.02) = 0.006% HA GLN 30 - HA THR 46 4.167% * 0.0055% (0.08 1.0 1.00 0.02 0.02) = 0.006% HA GLN 30 - HA SER 37 4.167% * 0.0046% (0.07 1.0 1.00 0.02 0.02) = 0.005% Peak 32 (4.41, 3.86, 64.22 ppm): 18 chemical-shift based assignments, quality = 0.811, support = 2.0, residual support = 10.7: * O T HA SER 13 - QB SER 13 5.556% * 69.7901% (1.00 10.0 10.00 1.93 4.86) = 69.790% kept O T HA SER 37 - HB3 SER 37 5.556% * 28.0582% (0.40 10.0 10.00 2.31 25.95) = 28.058% kept T HA SER 13 - HB3 SER 37 5.556% * 0.6366% (0.91 1.0 10.00 0.02 0.02) = 0.637% T HA THR 46 - QB SER 13 5.556% * 0.3727% (0.53 1.0 10.00 0.02 0.02) = 0.373% T HA THR 46 - HB3 SER 37 5.556% * 0.3400% (0.49 1.0 10.00 0.02 0.02) = 0.340% T HA SER 37 - QB SER 13 5.556% * 0.3076% (0.44 1.0 10.00 0.02 0.02) = 0.308% HA GLU- 15 - QB SER 13 5.556% * 0.0698% (1.00 1.0 1.00 0.02 0.02) = 0.070% HA PRO 58 - QB SER 13 5.556% * 0.0696% (1.00 1.0 1.00 0.02 0.02) = 0.070% HA LEU 40 - QB SER 13 5.556% * 0.0644% (0.92 1.0 1.00 0.02 0.02) = 0.064% HA GLU- 15 - HB3 SER 37 5.556% * 0.0637% (0.91 1.0 1.00 0.02 0.02) = 0.064% HA PRO 58 - HB3 SER 37 5.556% * 0.0635% (0.91 1.0 1.00 0.02 0.02) = 0.063% HA LEU 40 - HB3 SER 37 5.556% * 0.0588% (0.84 1.0 1.00 0.02 0.12) = 0.059% HA GLN 17 - QB SER 13 5.556% * 0.0308% (0.44 1.0 1.00 0.02 0.02) = 0.031% HA GLN 17 - HB3 SER 37 5.556% * 0.0281% (0.40 1.0 1.00 0.02 0.02) = 0.028% HA LEU 123 - QB SER 13 5.556% * 0.0148% (0.21 1.0 1.00 0.02 0.02) = 0.015% HA LEU 123 - HB3 SER 37 5.556% * 0.0135% (0.19 1.0 1.00 0.02 0.02) = 0.014% HA ILE 56 - QB SER 13 5.556% * 0.0094% (0.14 1.0 1.00 0.02 0.02) = 0.009% HA ILE 56 - HB3 SER 37 5.556% * 0.0086% (0.12 1.0 1.00 0.02 0.02) = 0.009% Peak 33 (3.86, 3.86, 64.22 ppm): 2 diagonal assignments: * QB SER 13 - QB SER 13 (1.00) kept HB3 SER 37 - HB3 SER 37 (0.84) kept Peak 34 (4.31, 4.31, 56.62 ppm): 2 diagonal assignments: * HA GLU- 14 - HA GLU- 14 (1.00) kept HA MET 11 - HA MET 11 (0.07) kept Peak 35 (2.08, 4.31, 56.62 ppm): 12 chemical-shift based assignments, quality = 0.802, support = 2.94, residual support = 34.9: * O T HB2 GLU- 14 - HA GLU- 14 8.333% * 73.5382% (1.00 10.0 10.00 2.96 36.78) = 73.538% kept O T HG2 MET 11 - HA MET 11 8.333% * 19.4548% (0.26 10.0 10.00 3.77 40.44) = 19.455% kept T HB2 GLU- 14 - HA MET 11 8.333% * 5.7850% (0.27 1.0 10.00 0.59 0.12) = 5.785% kept T HG2 MET 11 - HA GLU- 14 8.333% * 0.7330% (1.00 1.0 10.00 0.02 0.12) = 0.733% HG2 PRO 58 - HA MET 11 8.333% * 0.2847% (0.26 1.0 1.00 0.30 0.02) = 0.285% HG2 PRO 58 - HA GLU- 14 8.333% * 0.0726% (0.99 1.0 1.00 0.02 0.02) = 0.073% HG3 PRO 52 - HA GLU- 14 8.333% * 0.0726% (0.99 1.0 1.00 0.02 0.02) = 0.073% HG3 PRO 52 - HA MET 11 8.333% * 0.0193% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 PRO 93 - HA GLU- 14 8.333% * 0.0179% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 68 - HA GLU- 14 8.333% * 0.0135% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB2 PRO 93 - HA MET 11 8.333% * 0.0048% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB2 PRO 68 - HA MET 11 8.333% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 36 (2.27, 4.31, 56.62 ppm): 16 chemical-shift based assignments, quality = 0.921, support = 2.34, residual support = 21.3: * O T QG GLU- 14 - HA GLU- 14 6.250% * 48.3683% (1.00 10.0 10.00 2.78 36.78) = 48.368% kept T QG GLU- 15 - HA GLU- 14 6.250% * 42.8622% (0.95 1.0 10.00 1.87 2.80) = 42.862% kept O T QB MET 11 - HA MET 11 6.250% * 5.6583% (0.12 10.0 10.00 3.34 40.44) = 5.658% kept T HB2 ASP- 44 - HA GLU- 14 6.250% * 2.3542% (1.00 1.0 10.00 0.10 0.02) = 2.354% kept T QB MET 11 - HA GLU- 14 6.250% * 0.2132% (0.44 1.0 10.00 0.02 0.12) = 0.213% T QG GLU- 14 - HA MET 11 6.250% * 0.1284% (0.27 1.0 10.00 0.02 0.12) = 0.128% T HB2 ASP- 44 - HA MET 11 6.250% * 0.1280% (0.26 1.0 10.00 0.02 0.02) = 0.128% T QG GLU- 15 - HA MET 11 6.250% * 0.1220% (0.25 1.0 10.00 0.02 0.02) = 0.122% HB3 PHE 72 - HA GLU- 14 6.250% * 0.0478% (0.99 1.0 1.00 0.02 0.02) = 0.048% QG GLN 90 - HA GLU- 14 6.250% * 0.0460% (0.95 1.0 1.00 0.02 0.02) = 0.046% HG12 ILE 119 - HA GLU- 14 6.250% * 0.0282% (0.58 1.0 1.00 0.02 0.02) = 0.028% HB3 PHE 72 - HA MET 11 6.250% * 0.0127% (0.26 1.0 1.00 0.02 0.02) = 0.013% QG GLN 90 - HA MET 11 6.250% * 0.0122% (0.25 1.0 1.00 0.02 0.02) = 0.012% HB2 GLU- 29 - HA GLU- 14 6.250% * 0.0089% (0.18 1.0 1.00 0.02 0.02) = 0.009% HG12 ILE 119 - HA MET 11 6.250% * 0.0075% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB2 GLU- 29 - HA MET 11 6.250% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% Peak 38 (4.31, 2.08, 30.50 ppm): 16 chemical-shift based assignments, quality = 0.85, support = 2.78, residual support = 32.2: * O T HA GLU- 14 - HB2 GLU- 14 6.250% * 77.6174% (1.00 10.0 10.00 2.96 36.78) = 77.617% kept O T HA MET 11 - HG2 MET 11 6.250% * 8.0735% (0.10 10.0 10.00 3.77 40.44) = 8.074% kept T HA MET 11 - HB2 GLU- 14 6.250% * 6.3966% (0.28 1.0 10.00 0.59 0.12) = 6.397% kept HA ALA 12 - HG2 MET 11 6.250% * 3.9272% (0.36 1.0 1.00 2.78 10.29) = 3.927% kept HA ALA 12 - HB2 GLU- 14 6.250% * 3.4469% (0.97 1.0 1.00 0.91 0.02) = 3.447% kept T HA GLU- 14 - HG2 MET 11 6.250% * 0.2904% (0.37 1.0 10.00 0.02 0.12) = 0.290% HA ASP- 86 - HB2 GLU- 14 6.250% * 0.0766% (0.99 1.0 1.00 0.02 0.02) = 0.077% HA LEU 104 - HB2 GLU- 14 6.250% * 0.0564% (0.73 1.0 1.00 0.02 0.02) = 0.056% HA ASP- 86 - HG2 MET 11 6.250% * 0.0287% (0.37 1.0 1.00 0.02 0.02) = 0.029% HA LEU 104 - HG2 MET 11 6.250% * 0.0211% (0.27 1.0 1.00 0.02 0.02) = 0.021% HA ASP- 44 - HB2 GLU- 14 6.250% * 0.0189% (0.24 1.0 1.00 0.02 0.02) = 0.019% HB THR 77 - HB2 GLU- 14 6.250% * 0.0143% (0.18 1.0 1.00 0.02 0.02) = 0.014% HA SER 85 - HB2 GLU- 14 6.250% * 0.0143% (0.18 1.0 1.00 0.02 0.02) = 0.014% HA ASP- 44 - HG2 MET 11 6.250% * 0.0071% (0.09 1.0 1.00 0.02 0.02) = 0.007% HA SER 85 - HG2 MET 11 6.250% * 0.0053% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB THR 77 - HG2 MET 11 6.250% * 0.0053% (0.07 1.0 1.00 0.02 0.02) = 0.005% Peak 39 (2.08, 2.08, 30.50 ppm): 2 diagonal assignments: * HB2 GLU- 14 - HB2 GLU- 14 (1.00) kept HG2 MET 11 - HG2 MET 11 (0.37) kept Peak 40 (2.27, 2.08, 30.50 ppm): 16 chemical-shift based assignments, quality = 0.889, support = 2.44, residual support = 21.1: * O T QG GLU- 14 - HB2 GLU- 14 6.250% * 45.7581% (1.00 10.0 10.00 3.00 36.78) = 45.758% kept T QG GLU- 15 - HB2 GLU- 14 6.250% * 42.2937% (0.95 1.0 10.00 1.95 2.80) = 42.294% kept O T QB MET 11 - HG2 MET 11 6.250% * 7.5456% (0.16 10.0 10.00 3.09 40.44) = 7.546% kept T QB MET 11 - HB2 GLU- 14 6.250% * 3.8361% (0.44 1.0 10.00 0.38 0.12) = 3.836% kept T QG GLU- 14 - HG2 MET 11 6.250% * 0.1712% (0.37 1.0 10.00 0.02 0.12) = 0.171% T QG GLU- 15 - HG2 MET 11 6.250% * 0.1626% (0.36 1.0 10.00 0.02 0.02) = 0.163% HB2 ASP- 44 - HB2 GLU- 14 6.250% * 0.0456% (1.00 1.0 1.00 0.02 0.02) = 0.046% HB3 PHE 72 - HB2 GLU- 14 6.250% * 0.0452% (0.99 1.0 1.00 0.02 0.02) = 0.045% QG GLN 90 - HB2 GLU- 14 6.250% * 0.0435% (0.95 1.0 1.00 0.02 0.02) = 0.043% HG12 ILE 119 - HB2 GLU- 14 6.250% * 0.0266% (0.58 1.0 1.00 0.02 0.02) = 0.027% HB2 ASP- 44 - HG2 MET 11 6.250% * 0.0171% (0.37 1.0 1.00 0.02 0.02) = 0.017% HB3 PHE 72 - HG2 MET 11 6.250% * 0.0169% (0.37 1.0 1.00 0.02 0.02) = 0.017% QG GLN 90 - HG2 MET 11 6.250% * 0.0163% (0.36 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 119 - HG2 MET 11 6.250% * 0.0100% (0.22 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 29 - HB2 GLU- 14 6.250% * 0.0084% (0.18 1.0 1.00 0.02 0.02) = 0.008% HB2 GLU- 29 - HG2 MET 11 6.250% * 0.0031% (0.07 1.0 1.00 0.02 0.02) = 0.003% Peak 42 (4.31, 2.27, 36.31 ppm): 24 chemical-shift based assignments, quality = 0.889, support = 2.38, residual support = 21.9: * O T HA GLU- 14 - QG GLU- 14 4.167% * 51.9547% (1.00 10.0 10.00 2.78 36.78) = 51.955% kept T HA GLU- 14 - QG GLU- 15 4.167% * 41.9748% (0.87 1.0 10.00 1.87 2.80) = 41.975% kept O T HA MET 11 - QB MET 11 4.167% * 3.6498% (0.07 10.0 10.00 3.34 40.44) = 3.650% kept HA ALA 12 - QB MET 11 4.167% * 1.4282% (0.25 1.0 1.00 2.24 10.29) = 1.428% kept T HA MET 11 - QG GLU- 14 4.167% * 0.1445% (0.28 1.0 10.00 0.02 0.12) = 0.144% T HA GLU- 14 - QB MET 11 4.167% * 0.1313% (0.25 1.0 10.00 0.02 0.12) = 0.131% T HA ASP- 44 - QG GLU- 14 4.167% * 0.1267% (0.24 1.0 10.00 0.02 0.02) = 0.127% T HA MET 11 - QG GLU- 15 4.167% * 0.1251% (0.24 1.0 10.00 0.02 0.02) = 0.125% T HA ASP- 44 - QG GLU- 15 4.167% * 0.1097% (0.21 1.0 10.00 0.02 0.02) = 0.110% HA ASP- 86 - QG GLU- 14 4.167% * 0.0513% (0.99 1.0 1.00 0.02 0.02) = 0.051% HA ALA 12 - QG GLU- 14 4.167% * 0.0505% (0.97 1.0 1.00 0.02 0.02) = 0.050% HA ASP- 86 - QG GLU- 15 4.167% * 0.0444% (0.86 1.0 1.00 0.02 0.02) = 0.044% HA ALA 12 - QG GLU- 15 4.167% * 0.0437% (0.84 1.0 1.00 0.02 0.02) = 0.044% HA LEU 104 - QG GLU- 14 4.167% * 0.0377% (0.73 1.0 1.00 0.02 0.02) = 0.038% HA LEU 104 - QG GLU- 15 4.167% * 0.0327% (0.63 1.0 1.00 0.02 0.02) = 0.033% T HA ASP- 44 - QB MET 11 4.167% * 0.0320% (0.06 1.0 10.00 0.02 0.02) = 0.032% HA ASP- 86 - QB MET 11 4.167% * 0.0130% (0.25 1.0 1.00 0.02 0.02) = 0.013% HA SER 85 - QG GLU- 14 4.167% * 0.0096% (0.18 1.0 1.00 0.02 0.02) = 0.010% HB THR 77 - QG GLU- 14 4.167% * 0.0096% (0.18 1.0 1.00 0.02 0.02) = 0.010% HA LEU 104 - QB MET 11 4.167% * 0.0095% (0.18 1.0 1.00 0.02 0.02) = 0.010% HB THR 77 - QG GLU- 15 4.167% * 0.0083% (0.16 1.0 1.00 0.02 0.02) = 0.008% HA SER 85 - QG GLU- 15 4.167% * 0.0083% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB THR 77 - QB MET 11 4.167% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HA SER 85 - QB MET 11 4.167% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% Peak 44 (2.27, 2.27, 36.31 ppm): 3 diagonal assignments: * QG GLU- 14 - QG GLU- 14 (1.00) kept QG GLU- 15 - QG GLU- 15 (0.82) kept QB MET 11 - QB MET 11 (0.11) kept Peak 45 (1.92, 2.27, 36.31 ppm): 15 chemical-shift based assignments, quality = 0.841, support = 2.51, residual support = 23.2: * O T HB3 GLU- 14 - QG GLU- 14 6.667% * 47.8440% (1.00 10.0 10.00 3.00 36.78) = 47.844% kept T HB3 GLU- 14 - QG GLU- 15 6.667% * 38.4338% (0.87 1.0 10.00 1.85 2.80) = 38.434% kept O T HG3 MET 11 - QB MET 11 6.667% * 11.1589% (0.23 10.0 10.00 3.19 40.44) = 11.159% kept T HB3 GLU- 14 - QB MET 11 6.667% * 1.6045% (0.25 1.0 10.00 0.27 0.12) = 1.605% kept T HG3 MET 11 - QG GLU- 14 6.667% * 0.4417% (0.92 1.0 10.00 0.02 0.12) = 0.442% T HG3 MET 11 - QG GLU- 15 6.667% * 0.3826% (0.80 1.0 10.00 0.02 0.02) = 0.383% HB3 MET 96 - QG GLU- 14 6.667% * 0.0390% (0.81 1.0 1.00 0.02 0.02) = 0.039% HB3 MET 96 - QG GLU- 15 6.667% * 0.0338% (0.71 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 40 - QG GLU- 14 6.667% * 0.0170% (0.35 1.0 1.00 0.02 0.02) = 0.017% HB2 LEU 40 - QG GLU- 15 6.667% * 0.0147% (0.31 1.0 1.00 0.02 0.02) = 0.015% HB3 MET 96 - QB MET 11 6.667% * 0.0098% (0.21 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 58 - QG GLU- 14 6.667% * 0.0076% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 58 - QG GLU- 15 6.667% * 0.0066% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 40 - QB MET 11 6.667% * 0.0043% (0.09 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 58 - QB MET 11 6.667% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 50 (4.41, 4.41, 56.54 ppm): 2 diagonal assignments: * HA GLU- 15 - HA GLU- 15 (1.00) kept HA LEU 40 - HA LEU 40 (0.73) kept Peak 51 (2.27, 4.41, 56.54 ppm): 14 chemical-shift based assignments, quality = 0.96, support = 1.6, residual support = 3.04: * O T QG GLU- 15 - HA GLU- 15 7.143% * 51.3465% (1.00 10.0 10.00 1.36 3.36) = 51.347% kept T QG GLU- 14 - HA GLU- 15 7.143% * 47.0014% (0.95 1.0 10.00 1.93 2.80) = 47.001% kept T QG GLU- 15 - HA LEU 40 7.143% * 0.4052% (0.79 1.0 10.00 0.02 0.02) = 0.405% T QG GLU- 14 - HA LEU 40 7.143% * 0.3850% (0.75 1.0 10.00 0.02 0.02) = 0.385% T QB MET 11 - HA GLU- 15 7.143% * 0.3239% (0.63 1.0 10.00 0.02 0.02) = 0.324% T QB MET 11 - HA LEU 40 7.143% * 0.2556% (0.50 1.0 10.00 0.02 0.02) = 0.256% HB2 ASP- 44 - HA GLU- 15 7.143% * 0.0499% (0.97 1.0 1.00 0.02 0.02) = 0.050% HB3 PHE 72 - HA GLU- 15 7.143% * 0.0458% (0.89 1.0 1.00 0.02 0.02) = 0.046% QG GLN 90 - HA GLU- 15 7.143% * 0.0418% (0.81 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 44 - HA LEU 40 7.143% * 0.0394% (0.77 1.0 1.00 0.02 0.02) = 0.039% HB3 PHE 72 - HA LEU 40 7.143% * 0.0361% (0.70 1.0 1.00 0.02 0.02) = 0.036% QG GLN 90 - HA LEU 40 7.143% * 0.0330% (0.64 1.0 1.00 0.02 0.02) = 0.033% HG12 ILE 119 - HA GLU- 15 7.143% * 0.0204% (0.40 1.0 1.00 0.02 0.02) = 0.020% HG12 ILE 119 - HA LEU 40 7.143% * 0.0161% (0.31 1.0 1.00 0.02 0.02) = 0.016% Peak 52 (2.01, 4.41, 56.54 ppm): 18 chemical-shift based assignments, quality = 0.977, support = 1.43, residual support = 2.27: * O T QB GLU- 15 - HA GLU- 15 5.556% * 66.1114% (1.00 10.0 10.00 1.71 3.36) = 66.111% kept T HB2 GLN 17 - HA GLU- 15 5.556% * 31.5702% (1.00 1.0 10.00 0.96 0.15) = 31.570% kept T HB2 GLN 17 - HA LEU 40 5.556% * 0.5217% (0.79 1.0 10.00 0.02 0.02) = 0.522% T QB GLU- 15 - HA LEU 40 5.556% * 0.5217% (0.79 1.0 10.00 0.02 0.02) = 0.522% T HB3 PRO 68 - HA GLU- 15 5.556% * 0.4801% (0.73 1.0 10.00 0.02 0.02) = 0.480% T HB3 PRO 68 - HA LEU 40 5.556% * 0.3788% (0.57 1.0 10.00 0.02 0.02) = 0.379% HB2 LYS+ 111 - HA GLU- 15 5.556% * 0.0653% (0.99 1.0 1.00 0.02 0.02) = 0.065% HB3 GLU- 25 - HA GLU- 15 5.556% * 0.0610% (0.92 1.0 1.00 0.02 0.02) = 0.061% HB2 LYS+ 111 - HA LEU 40 5.556% * 0.0515% (0.78 1.0 1.00 0.02 0.02) = 0.052% HB3 GLU- 25 - HA LEU 40 5.556% * 0.0482% (0.73 1.0 1.00 0.02 0.02) = 0.048% QB GLU- 114 - HA GLU- 15 5.556% * 0.0353% (0.53 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - HA GLU- 15 5.556% * 0.0291% (0.44 1.0 1.00 0.02 0.02) = 0.029% QB GLU- 114 - HA LEU 40 5.556% * 0.0279% (0.42 1.0 1.00 0.02 0.02) = 0.028% HG2 PRO 68 - HA GLU- 15 5.556% * 0.0234% (0.35 1.0 1.00 0.02 0.02) = 0.023% HB ILE 19 - HA LEU 40 5.556% * 0.0230% (0.35 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 68 - HA LEU 40 5.556% * 0.0185% (0.28 1.0 1.00 0.02 0.02) = 0.018% HG3 GLN 30 - HA GLU- 15 5.556% * 0.0184% (0.28 1.0 1.00 0.02 0.02) = 0.018% HG3 GLN 30 - HA LEU 40 5.556% * 0.0145% (0.22 1.0 1.00 0.02 0.23) = 0.015% Peak 53 (4.41, 2.27, 36.40 ppm): 27 chemical-shift based assignments, quality = 0.923, support = 1.62, residual support = 3.17: * O T HA GLU- 15 - QG GLU- 15 3.704% * 50.2014% (1.00 10.0 10.00 1.36 3.36) = 50.201% kept T HA GLU- 15 - QG GLU- 14 3.704% * 41.8953% (0.87 1.0 10.00 1.93 2.80) = 41.895% kept HA SER 13 - QG GLU- 14 3.704% * 5.2070% (0.87 1.0 1.00 2.39 5.97) = 5.207% kept HA SER 13 - QG GLU- 15 3.704% * 1.3312% (1.00 1.0 1.00 0.53 0.02) = 1.331% kept T HA LEU 40 - QG GLU- 15 3.704% * 0.4634% (0.92 1.0 10.00 0.02 0.02) = 0.463% T HA LEU 40 - QG GLU- 14 3.704% * 0.4014% (0.80 1.0 10.00 0.02 0.02) = 0.401% T HA GLU- 15 - QB MET 11 3.704% * 0.1051% (0.21 1.0 10.00 0.02 0.02) = 0.105% T HA LEU 40 - QB MET 11 3.704% * 0.0970% (0.19 1.0 10.00 0.02 0.02) = 0.097% HA PRO 58 - QG GLU- 15 3.704% * 0.0500% (1.00 1.0 1.00 0.02 0.02) = 0.050% HA PRO 58 - QG GLU- 14 3.704% * 0.0433% (0.86 1.0 1.00 0.02 0.02) = 0.043% HA THR 46 - QG GLU- 15 3.704% * 0.0268% (0.53 1.0 1.00 0.02 0.02) = 0.027% HA THR 46 - QG GLU- 14 3.704% * 0.0232% (0.46 1.0 1.00 0.02 0.02) = 0.023% HA GLN 17 - QG GLU- 15 3.704% * 0.0221% (0.44 1.0 1.00 0.02 0.15) = 0.022% HA SER 37 - QG GLU- 15 3.704% * 0.0221% (0.44 1.0 1.00 0.02 0.02) = 0.022% HA GLN 17 - QG GLU- 14 3.704% * 0.0192% (0.38 1.0 1.00 0.02 0.02) = 0.019% HA SER 37 - QG GLU- 14 3.704% * 0.0192% (0.38 1.0 1.00 0.02 0.02) = 0.019% HA LEU 123 - QG GLU- 15 3.704% * 0.0107% (0.21 1.0 1.00 0.02 0.02) = 0.011% HA SER 13 - QB MET 11 3.704% * 0.0105% (0.21 1.0 1.00 0.02 0.02) = 0.011% HA PRO 58 - QB MET 11 3.704% * 0.0105% (0.21 1.0 1.00 0.02 0.02) = 0.010% HA LEU 123 - QG GLU- 14 3.704% * 0.0092% (0.18 1.0 1.00 0.02 0.02) = 0.009% HA ILE 56 - QG GLU- 15 3.704% * 0.0068% (0.14 1.0 1.00 0.02 0.02) = 0.007% HA ILE 56 - QG GLU- 14 3.704% * 0.0059% (0.12 1.0 1.00 0.02 0.02) = 0.006% HA THR 46 - QB MET 11 3.704% * 0.0056% (0.11 1.0 1.00 0.02 0.02) = 0.006% HA SER 37 - QB MET 11 3.704% * 0.0046% (0.09 1.0 1.00 0.02 0.02) = 0.005% HA GLN 17 - QB MET 11 3.704% * 0.0046% (0.09 1.0 1.00 0.02 0.02) = 0.005% HA LEU 123 - QB MET 11 3.704% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% HA ILE 56 - QB MET 11 3.704% * 0.0014% (0.03 1.0 1.00 0.02 0.02) = 0.001% Peak 55 (2.27, 2.27, 36.40 ppm): 3 diagonal assignments: * QG GLU- 15 - QG GLU- 15 (1.00) kept QG GLU- 14 - QG GLU- 14 (0.82) kept QB MET 11 - QB MET 11 (0.13) kept Peak 59 (4.04, 4.04, 45.84 ppm): 1 diagonal assignment: * HA1 GLY 16 - HA1 GLY 16 (1.00) kept Peak 60 (4.42, 4.42, 54.38 ppm): 1 diagonal assignment: * HA GLN 17 - HA GLN 17 (1.00) kept Peak 61 (2.01, 4.42, 54.38 ppm): 9 chemical-shift based assignments, quality = 0.99, support = 3.92, residual support = 63.6: * O T HB2 GLN 17 - HA GLN 17 11.111% * 92.2323% (1.00 10.0 10.00 4.24 68.89) = 92.232% kept T QB GLU- 15 - HA GLN 17 11.111% * 6.7735% (1.00 1.0 10.00 0.15 0.15) = 6.773% kept T HB3 PRO 68 - HA GLN 17 11.111% * 0.6697% (0.73 1.0 10.00 0.02 0.02) = 0.670% HB2 LYS+ 111 - HA GLN 17 11.111% * 0.0911% (0.99 1.0 1.00 0.02 0.02) = 0.091% HB3 GLU- 25 - HA GLN 17 11.111% * 0.0851% (0.92 1.0 1.00 0.02 0.02) = 0.085% QB GLU- 114 - HA GLN 17 11.111% * 0.0493% (0.53 1.0 1.00 0.02 0.02) = 0.049% HB ILE 19 - HA GLN 17 11.111% * 0.0407% (0.44 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 68 - HA GLN 17 11.111% * 0.0327% (0.35 1.0 1.00 0.02 0.02) = 0.033% HG3 GLN 30 - HA GLN 17 11.111% * 0.0256% (0.28 1.0 1.00 0.02 0.02) = 0.026% Peak 62 (2.21, 4.42, 54.38 ppm): 7 chemical-shift based assignments, quality = 0.702, support = 3.22, residual support = 48.1: * O T QG GLN 17 - HA GLN 17 14.286% * 69.3977% (0.68 10.0 10.00 4.31 68.89) = 69.398% kept T HB VAL 70 - HA GLN 17 14.286% * 29.8572% (0.77 1.0 10.00 0.76 0.83) = 29.857% kept HB2 MET 96 - HA GLN 17 14.286% * 0.5691% (0.99 1.0 1.00 0.11 0.02) = 0.569% HG2 GLU- 100 - HA GLN 17 14.286% * 0.0546% (0.53 1.0 1.00 0.02 0.02) = 0.055% HB2 GLU- 25 - HA GLN 17 14.286% * 0.0546% (0.53 1.0 1.00 0.02 0.02) = 0.055% HB3 ASP- 76 - HA GLN 17 14.286% * 0.0451% (0.44 1.0 1.00 0.02 0.02) = 0.045% HB2 ASP- 105 - HA GLN 17 14.286% * 0.0217% (0.21 1.0 1.00 0.02 0.02) = 0.022% Peak 63 (4.42, 2.01, 31.84 ppm): 24 chemical-shift based assignments, quality = 0.205, support = 3.11, residual support = 43.0: * O T HA GLN 17 - HB2 GLN 17 4.167% * 60.9883% (0.24 10.0 10.00 4.24 68.89) = 60.988% kept O T HA GLU- 15 - QB GLU- 15 4.167% * 30.1741% (0.12 10.0 10.00 1.71 3.36) = 30.174% kept T HA GLN 17 - QB GLU- 15 4.167% * 5.0273% (0.27 1.0 10.00 0.15 0.15) = 5.027% kept T HA GLN 17 - HB3 PRO 68 4.167% * 1.3877% (0.55 1.0 10.00 0.02 0.02) = 1.388% kept T HA GLU- 15 - HB3 PRO 68 4.167% * 0.6117% (0.24 1.0 10.00 0.02 0.02) = 0.612% T HA LEU 40 - HB3 PRO 68 4.167% * 0.3384% (0.13 1.0 10.00 0.02 0.02) = 0.338% T HA GLU- 15 - HB2 GLN 17 4.167% * 0.2688% (0.11 1.0 10.00 0.02 0.15) = 0.269% T HA LEU 40 - QB GLU- 15 4.167% * 0.1669% (0.07 1.0 10.00 0.02 0.02) = 0.167% T HA LEU 40 - HB2 GLN 17 4.167% * 0.1487% (0.06 1.0 10.00 0.02 0.02) = 0.149% HA SER 37 - HB3 PRO 68 4.167% * 0.1388% (0.55 1.0 1.00 0.02 0.02) = 0.139% HA THR 46 - HB3 PRO 68 4.167% * 0.1370% (0.54 1.0 1.00 0.02 0.02) = 0.137% HA SER 37 - QB GLU- 15 4.167% * 0.0685% (0.27 1.0 1.00 0.02 0.02) = 0.068% HA THR 46 - QB GLU- 15 4.167% * 0.0676% (0.27 1.0 1.00 0.02 0.02) = 0.068% HA VAL 42 - HB3 PRO 68 4.167% * 0.0675% (0.27 1.0 1.00 0.02 0.02) = 0.068% HA SER 13 - HB3 PRO 68 4.167% * 0.0612% (0.24 1.0 1.00 0.02 0.02) = 0.061% HA SER 37 - HB2 GLN 17 4.167% * 0.0610% (0.24 1.0 1.00 0.02 0.02) = 0.061% HA THR 46 - HB2 GLN 17 4.167% * 0.0602% (0.24 1.0 1.00 0.02 0.02) = 0.060% HA PRO 58 - HB3 PRO 68 4.167% * 0.0550% (0.22 1.0 1.00 0.02 0.02) = 0.055% HA VAL 42 - QB GLU- 15 4.167% * 0.0333% (0.13 1.0 1.00 0.02 0.02) = 0.033% HA SER 13 - QB GLU- 15 4.167% * 0.0302% (0.12 1.0 1.00 0.02 0.02) = 0.030% HA VAL 42 - HB2 GLN 17 4.167% * 0.0297% (0.12 1.0 1.00 0.02 0.02) = 0.030% HA PRO 58 - QB GLU- 15 4.167% * 0.0272% (0.11 1.0 1.00 0.02 0.02) = 0.027% HA SER 13 - HB2 GLN 17 4.167% * 0.0269% (0.11 1.0 1.00 0.02 0.02) = 0.027% HA PRO 58 - HB2 GLN 17 4.167% * 0.0242% (0.10 1.0 1.00 0.02 0.02) = 0.024% Peak 64 (2.01, 2.01, 31.84 ppm): 3 diagonal assignments: HB3 PRO 68 - HB3 PRO 68 (0.40) kept QB GLU- 15 - QB GLU- 15 (0.27) kept * HB2 GLN 17 - HB2 GLN 17 (0.24) kept Peak 65 (2.21, 2.01, 31.84 ppm): 21 chemical-shift based assignments, quality = 0.208, support = 2.63, residual support = 37.5: * O T QG GLN 17 - HB2 GLN 17 4.762% * 54.1698% (0.16 10.0 10.00 4.55 68.89) = 54.170% kept T HB VAL 70 - HB2 GLN 17 4.762% * 19.3203% (0.19 1.0 10.00 0.63 0.83) = 19.320% kept T HB VAL 70 - HB3 PRO 68 4.762% * 16.6116% (0.42 1.0 10.00 0.24 0.02) = 16.612% kept T QG GLN 17 - QB GLU- 15 4.762% * 4.4652% (0.18 1.0 10.00 0.15 0.15) = 4.465% kept T QG GLN 17 - HB3 PRO 68 4.762% * 1.2325% (0.37 1.0 10.00 0.02 0.02) = 1.233% kept T HG2 GLU- 100 - HB3 PRO 68 4.762% * 0.9695% (0.29 1.0 10.00 0.02 0.02) = 0.970% T HB2 GLU- 25 - HB3 PRO 68 4.762% * 0.9695% (0.29 1.0 10.00 0.02 0.02) = 0.970% T HB VAL 70 - QB GLU- 15 4.762% * 0.6910% (0.21 1.0 10.00 0.02 0.02) = 0.691% T HB2 GLU- 25 - QB GLU- 15 4.762% * 0.4783% (0.14 1.0 10.00 0.02 0.02) = 0.478% T HB2 GLU- 25 - HB2 GLN 17 4.762% * 0.4261% (0.13 1.0 10.00 0.02 0.02) = 0.426% HB2 MET 96 - HB3 PRO 68 4.762% * 0.1792% (0.54 1.0 1.00 0.02 0.02) = 0.179% HB2 MET 96 - QB GLU- 15 4.762% * 0.0884% (0.27 1.0 1.00 0.02 0.02) = 0.088% HB3 ASP- 76 - HB3 PRO 68 4.762% * 0.0800% (0.24 1.0 1.00 0.02 0.02) = 0.080% HB2 MET 96 - HB2 GLN 17 4.762% * 0.0788% (0.24 1.0 1.00 0.02 0.02) = 0.079% HG2 GLU- 100 - QB GLU- 15 4.762% * 0.0478% (0.14 1.0 1.00 0.02 0.02) = 0.048% HG2 GLU- 100 - HB2 GLN 17 4.762% * 0.0426% (0.13 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - QB GLU- 15 4.762% * 0.0395% (0.12 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 105 - HB3 PRO 68 4.762% * 0.0386% (0.12 1.0 1.00 0.02 0.02) = 0.039% HB3 ASP- 76 - HB2 GLN 17 4.762% * 0.0352% (0.11 1.0 1.00 0.02 0.02) = 0.035% HB2 ASP- 105 - QB GLU- 15 4.762% * 0.0190% (0.06 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 105 - HB2 GLN 17 4.762% * 0.0170% (0.05 1.0 1.00 0.02 0.02) = 0.017% Peak 66 (4.42, 2.21, 33.80 ppm): 16 chemical-shift based assignments, quality = 0.636, support = 4.03, residual support = 63.5: * O T HA GLN 17 - QG GLN 17 6.250% * 92.1253% (0.68 10.0 10.00 4.31 68.89) = 92.125% kept T HA GLN 17 - HB VAL 70 6.250% * 7.4281% (0.14 1.0 10.00 0.76 0.83) = 7.428% kept HA SER 37 - QG GLN 17 6.250% * 0.0921% (0.68 1.0 1.00 0.02 0.02) = 0.092% HA THR 46 - QG GLN 17 6.250% * 0.0910% (0.67 1.0 1.00 0.02 0.02) = 0.091% HA VAL 42 - QG GLN 17 6.250% * 0.0448% (0.33 1.0 1.00 0.02 0.02) = 0.045% HA GLU- 15 - QG GLN 17 6.250% * 0.0406% (0.30 1.0 1.00 0.02 0.15) = 0.041% HA SER 13 - QG GLN 17 6.250% * 0.0406% (0.30 1.0 1.00 0.02 0.02) = 0.041% HA PRO 58 - QG GLN 17 6.250% * 0.0365% (0.27 1.0 1.00 0.02 0.02) = 0.037% HA LEU 40 - QG GLN 17 6.250% * 0.0225% (0.17 1.0 1.00 0.02 0.02) = 0.022% HA SER 37 - HB VAL 70 6.250% * 0.0196% (0.14 1.0 1.00 0.02 0.02) = 0.020% HA THR 46 - HB VAL 70 6.250% * 0.0194% (0.14 1.0 1.00 0.02 0.02) = 0.019% HA VAL 42 - HB VAL 70 6.250% * 0.0096% (0.07 1.0 1.00 0.02 0.02) = 0.010% HA SER 13 - HB VAL 70 6.250% * 0.0086% (0.06 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 15 - HB VAL 70 6.250% * 0.0086% (0.06 1.0 1.00 0.02 0.02) = 0.009% HA PRO 58 - HB VAL 70 6.250% * 0.0078% (0.06 1.0 1.00 0.02 0.02) = 0.008% HA LEU 40 - HB VAL 70 6.250% * 0.0048% (0.04 1.0 1.00 0.02 27.04) = 0.005% Peak 67 (2.01, 2.21, 33.80 ppm): 18 chemical-shift based assignments, quality = 0.646, support = 3.92, residual support = 58.8: * O T HB2 GLN 17 - QG GLN 17 5.556% * 85.3556% (0.68 10.0 10.00 4.55 68.89) = 85.356% kept T QB GLU- 15 - QG GLN 17 5.556% * 6.2684% (0.68 1.0 10.00 0.15 0.15) = 6.268% kept T HB3 GLU- 25 - HB VAL 70 5.556% * 4.0277% (0.13 1.0 10.00 0.48 0.02) = 4.028% kept T HB3 GLU- 25 - QG GLN 17 5.556% * 2.9642% (0.63 1.0 10.00 0.08 0.02) = 2.964% kept T HB3 PRO 68 - QG GLN 17 5.556% * 0.6198% (0.49 1.0 10.00 0.02 0.02) = 0.620% T QB GLU- 15 - HB VAL 70 5.556% * 0.1818% (0.14 1.0 10.00 0.02 0.02) = 0.182% T HB2 GLN 17 - HB VAL 70 5.556% * 0.1818% (0.14 1.0 10.00 0.02 0.83) = 0.182% T HB3 PRO 68 - HB VAL 70 5.556% * 0.1320% (0.11 1.0 10.00 0.02 0.02) = 0.132% HB2 LYS+ 111 - QG GLN 17 5.556% * 0.0843% (0.67 1.0 1.00 0.02 0.02) = 0.084% QB GLU- 114 - QG GLN 17 5.556% * 0.0456% (0.36 1.0 1.00 0.02 0.02) = 0.046% HB ILE 19 - QG GLN 17 5.556% * 0.0376% (0.30 1.0 1.00 0.02 0.02) = 0.038% HG2 PRO 68 - QG GLN 17 5.556% * 0.0303% (0.24 1.0 1.00 0.02 0.02) = 0.030% HG3 GLN 30 - QG GLN 17 5.556% * 0.0237% (0.19 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 111 - HB VAL 70 5.556% * 0.0179% (0.14 1.0 1.00 0.02 0.02) = 0.018% QB GLU- 114 - HB VAL 70 5.556% * 0.0097% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB ILE 19 - HB VAL 70 5.556% * 0.0080% (0.06 1.0 1.00 0.02 1.17) = 0.008% HG2 PRO 68 - HB VAL 70 5.556% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG3 GLN 30 - HB VAL 70 5.556% * 0.0051% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 68 (2.21, 2.21, 33.80 ppm): 2 diagonal assignments: * QG GLN 17 - QG GLN 17 (0.46) kept HB VAL 70 - HB VAL 70 (0.11) kept Peak 69 (4.00, 4.00, 62.64 ppm): 1 diagonal assignment: * HA VAL 18 - HA VAL 18 (1.00) kept Peak 70 (1.96, 4.00, 62.64 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.63, residual support = 65.4: * O T HB VAL 18 - HA VAL 18 16.667% * 99.7334% (1.00 10.0 10.00 3.64 65.62) = 99.733% kept HB3 ARG+ 54 - HA VAL 18 16.667% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 LEU 67 - HA VAL 18 16.667% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 LEU 115 - HA VAL 18 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HG3 PRO 58 - HA VAL 18 16.667% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 40 - HA VAL 18 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 71 (0.86, 4.00, 62.64 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 3.48, residual support = 52.5: * O T QG1 VAL 18 - HA VAL 18 16.667% * 79.8166% (1.00 10.0 10.00 4.24 65.62) = 79.817% kept T QG1 VAL 70 - HA VAL 18 16.667% * 17.4172% (0.97 1.0 10.00 0.45 0.54) = 17.417% kept QD1 LEU 71 - HA VAL 18 16.667% * 2.6298% (0.77 1.0 1.00 0.85 0.02) = 2.630% kept QD1 LEU 123 - HA VAL 18 16.667% * 0.0616% (0.77 1.0 1.00 0.02 0.02) = 0.062% HB3 LEU 63 - HA VAL 18 16.667% * 0.0465% (0.58 1.0 1.00 0.02 0.02) = 0.046% HB3 LEU 104 - HA VAL 18 16.667% * 0.0283% (0.35 1.0 1.00 0.02 0.02) = 0.028% Peak 72 (0.75, 4.00, 62.64 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 4.1, residual support = 58.8: * O T QG2 VAL 18 - HA VAL 18 16.667% * 86.4120% (1.00 10.0 10.00 4.22 65.62) = 86.412% kept QD1 ILE 19 - HA VAL 18 16.667% * 11.0956% (0.63 1.0 1.00 4.07 18.58) = 11.096% kept QG2 THR 46 - HA VAL 18 16.667% * 1.4478% (0.97 1.0 1.00 0.34 0.77) = 1.448% kept T QG1 VAL 41 - HA VAL 18 16.667% * 0.5867% (0.68 1.0 10.00 0.02 0.02) = 0.587% T QD2 LEU 104 - HA VAL 18 16.667% * 0.3809% (0.44 1.0 10.00 0.02 0.02) = 0.381% QG1 VAL 43 - HA VAL 18 16.667% * 0.0770% (0.89 1.0 1.00 0.02 0.02) = 0.077% Peak 73 (4.00, 1.96, 32.56 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 3.62, residual support = 65.3: * O T HA VAL 18 - HB VAL 18 10.000% * 99.4500% (1.00 10.0 10.00 3.64 65.62) = 99.450% kept HA GLU- 29 - HB VAL 18 10.000% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB2 SER 82 - HB VAL 18 10.000% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA LYS+ 33 - HB VAL 18 10.000% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA SER 48 - HB VAL 18 10.000% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA VAL 70 - HB VAL 18 10.000% * 0.0579% (0.58 1.0 1.00 0.02 0.54) = 0.058% HA GLN 116 - HB VAL 18 10.000% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ALA 88 - HB VAL 18 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA GLN 32 - HB VAL 18 10.000% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HD2 PRO 52 - HB VAL 18 10.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 74 (1.96, 1.96, 32.56 ppm): 1 diagonal assignment: * HB VAL 18 - HB VAL 18 (1.00) kept Peak 75 (0.86, 1.96, 32.56 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.35, residual support = 65.4: * O T QG1 VAL 18 - HB VAL 18 16.667% * 99.6560% (1.00 10.0 10.00 3.37 65.62) = 99.656% kept QG1 VAL 70 - HB VAL 18 16.667% * 0.0968% (0.97 1.0 1.00 0.02 0.54) = 0.097% QD1 LEU 123 - HB VAL 18 16.667% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% QD1 LEU 71 - HB VAL 18 16.667% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB3 LEU 63 - HB VAL 18 16.667% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 104 - HB VAL 18 16.667% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 76 (0.75, 1.96, 32.56 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 3.24, residual support = 59.8: * O T QG2 VAL 18 - HB VAL 18 16.667% * 88.1066% (1.00 10.0 10.00 3.23 65.62) = 88.107% kept QD1 ILE 19 - HB VAL 18 16.667% * 10.4778% (0.63 1.0 1.00 3.77 18.58) = 10.478% kept T QG1 VAL 41 - HB VAL 18 16.667% * 0.5982% (0.68 1.0 10.00 0.02 0.02) = 0.598% T QD2 LEU 104 - HB VAL 18 16.667% * 0.3884% (0.44 1.0 10.00 0.02 0.02) = 0.388% QG2 THR 46 - HB VAL 18 16.667% * 0.3505% (0.97 1.0 1.00 0.08 0.77) = 0.351% QG1 VAL 43 - HB VAL 18 16.667% * 0.0785% (0.89 1.0 1.00 0.02 0.02) = 0.079% Peak 77 (4.00, 0.86, 22.91 ppm): 10 chemical-shift based assignments, quality = 0.903, support = 3.5, residual support = 51.4: * O T HA VAL 18 - QG1 VAL 18 10.000% * 78.2196% (1.00 10.0 10.00 4.24 65.62) = 78.220% kept T HA VAL 70 - QG1 VAL 18 10.000% * 20.6984% (0.58 1.0 10.00 0.91 0.54) = 20.698% kept T HB2 SER 82 - QG1 VAL 18 10.000% * 0.7722% (0.99 1.0 10.00 0.02 0.02) = 0.772% HA GLU- 29 - QG1 VAL 18 10.000% * 0.0780% (1.00 1.0 1.00 0.02 0.02) = 0.078% HA LYS+ 33 - QG1 VAL 18 10.000% * 0.0722% (0.92 1.0 1.00 0.02 0.02) = 0.072% HA SER 48 - QG1 VAL 18 10.000% * 0.0493% (0.63 1.0 1.00 0.02 0.02) = 0.049% HA GLN 116 - QG1 VAL 18 10.000% * 0.0455% (0.58 1.0 1.00 0.02 0.02) = 0.046% HA ALA 88 - QG1 VAL 18 10.000% * 0.0277% (0.35 1.0 1.00 0.02 0.02) = 0.028% HA GLN 32 - QG1 VAL 18 10.000% * 0.0246% (0.31 1.0 1.00 0.02 0.02) = 0.025% HD2 PRO 52 - QG1 VAL 18 10.000% * 0.0124% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 78 (1.96, 0.86, 22.91 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.33, residual support = 64.8: * O T HB VAL 18 - QG1 VAL 18 16.667% * 98.7493% (1.00 10.0 10.00 3.37 65.62) = 98.749% kept HB2 LEU 67 - QG1 VAL 18 16.667% * 1.0711% (0.85 1.0 1.00 0.25 0.02) = 1.071% kept HB3 ARG+ 54 - QG1 VAL 18 16.667% * 0.0844% (0.85 1.0 1.00 0.02 0.02) = 0.084% HB2 LEU 115 - QG1 VAL 18 16.667% * 0.0392% (0.40 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 58 - QG1 VAL 18 16.667% * 0.0350% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 40 - QG1 VAL 18 16.667% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 79 (0.86, 0.86, 22.91 ppm): 1 diagonal assignment: * QG1 VAL 18 - QG1 VAL 18 (1.00) kept Peak 80 (0.75, 0.86, 22.91 ppm): 6 chemical-shift based assignments, quality = 0.941, support = 3.55, residual support = 54.2: * O T QG2 VAL 18 - QG1 VAL 18 16.667% * 79.7612% (1.00 10.0 10.00 3.86 65.62) = 79.761% kept QD1 ILE 19 - QG1 VAL 18 16.667% * 10.0048% (0.63 1.0 1.00 3.98 18.58) = 10.005% kept T QG1 VAL 41 - QG1 VAL 18 16.667% * 5.0354% (0.68 1.0 10.00 0.19 0.02) = 5.035% kept QG2 THR 46 - QG1 VAL 18 16.667% * 4.7760% (0.97 1.0 1.00 1.23 0.77) = 4.776% kept T QD2 LEU 104 - QG1 VAL 18 16.667% * 0.3516% (0.44 1.0 10.00 0.02 0.02) = 0.352% QG1 VAL 43 - QG1 VAL 18 16.667% * 0.0711% (0.89 1.0 1.00 0.02 0.02) = 0.071% Peak 81 (4.00, 0.75, 22.78 ppm): 30 chemical-shift based assignments, quality = 0.973, support = 4.01, residual support = 62.2: * O T HA VAL 18 - QG2 VAL 18 3.333% * 94.8551% (1.00 10.0 10.00 4.22 65.62) = 94.855% kept HA LYS+ 33 - QG1 VAL 41 3.333% * 1.7038% (0.63 1.0 1.00 0.57 0.02) = 1.704% kept HA LYS+ 33 - QG2 VAL 18 3.333% * 1.5235% (0.92 1.0 1.00 0.35 0.02) = 1.523% kept T HA VAL 18 - QG1 VAL 41 3.333% * 0.6440% (0.68 1.0 10.00 0.02 0.02) = 0.644% HA GLU- 29 - QG2 VAL 18 3.333% * 0.4581% (1.00 1.0 1.00 0.10 0.02) = 0.458% T HA VAL 18 - QD2 LEU 104 3.333% * 0.1135% (0.12 1.0 10.00 0.02 0.02) = 0.113% HB2 SER 82 - QG2 VAL 18 3.333% * 0.0936% (0.99 1.0 1.00 0.02 0.02) = 0.094% HA GLU- 29 - QG1 VAL 41 3.333% * 0.0642% (0.68 1.0 1.00 0.02 0.02) = 0.064% HB2 SER 82 - QG1 VAL 41 3.333% * 0.0636% (0.67 1.0 1.00 0.02 0.02) = 0.064% HA SER 48 - QG2 VAL 18 3.333% * 0.0598% (0.63 1.0 1.00 0.02 0.02) = 0.060% HA VAL 70 - QG2 VAL 18 3.333% * 0.0552% (0.58 1.0 1.00 0.02 0.54) = 0.055% HA GLN 116 - QG2 VAL 18 3.333% * 0.0552% (0.58 1.0 1.00 0.02 0.02) = 0.055% HA SER 48 - QG1 VAL 41 3.333% * 0.0406% (0.43 1.0 1.00 0.02 0.02) = 0.041% HA GLN 116 - QG1 VAL 41 3.333% * 0.0375% (0.40 1.0 1.00 0.02 0.02) = 0.038% HA VAL 70 - QG1 VAL 41 3.333% * 0.0375% (0.40 1.0 1.00 0.02 0.02) = 0.038% HA ALA 88 - QG2 VAL 18 3.333% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA GLN 32 - QG2 VAL 18 3.333% * 0.0299% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA ALA 88 - QG1 VAL 41 3.333% * 0.0228% (0.24 1.0 1.00 0.02 0.18) = 0.023% HA GLN 32 - QG1 VAL 41 3.333% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% HD2 PRO 52 - QG2 VAL 18 3.333% * 0.0150% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 29 - QD2 LEU 104 3.333% * 0.0113% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB2 SER 82 - QD2 LEU 104 3.333% * 0.0112% (0.12 1.0 1.00 0.02 0.10) = 0.011% HA LYS+ 33 - QD2 LEU 104 3.333% * 0.0105% (0.11 1.0 1.00 0.02 0.02) = 0.010% HD2 PRO 52 - QG1 VAL 41 3.333% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA SER 48 - QD2 LEU 104 3.333% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA GLN 116 - QD2 LEU 104 3.333% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA VAL 70 - QD2 LEU 104 3.333% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA ALA 88 - QD2 LEU 104 3.333% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA GLN 32 - QD2 LEU 104 3.333% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD2 PRO 52 - QD2 LEU 104 3.333% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 82 (1.96, 0.75, 22.78 ppm): 18 chemical-shift based assignments, quality = 0.964, support = 3.21, residual support = 63.2: * O T HB VAL 18 - QG2 VAL 18 5.556% * 95.9745% (1.00 10.0 10.00 3.23 65.62) = 95.974% kept HB2 LEU 40 - QG1 VAL 41 5.556% * 2.8115% (0.14 1.0 1.00 4.06 9.26) = 2.811% kept T HB VAL 18 - QG1 VAL 41 5.556% * 0.6516% (0.68 1.0 10.00 0.02 0.02) = 0.652% T HB VAL 18 - QD2 LEU 104 5.556% * 0.1148% (0.12 1.0 10.00 0.02 0.02) = 0.115% HB3 ARG+ 54 - QG2 VAL 18 5.556% * 0.0820% (0.85 1.0 1.00 0.02 0.02) = 0.082% HB2 LEU 67 - QG2 VAL 18 5.556% * 0.0820% (0.85 1.0 1.00 0.02 0.02) = 0.082% HB3 ARG+ 54 - QG1 VAL 41 5.556% * 0.0557% (0.58 1.0 1.00 0.02 0.02) = 0.056% HB2 LEU 67 - QG1 VAL 41 5.556% * 0.0557% (0.58 1.0 1.00 0.02 0.02) = 0.056% HB2 LEU 115 - QG2 VAL 18 5.556% * 0.0381% (0.40 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 58 - QG2 VAL 18 5.556% * 0.0340% (0.35 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 115 - QG1 VAL 41 5.556% * 0.0258% (0.27 1.0 1.00 0.02 0.02) = 0.026% HG3 PRO 58 - QG1 VAL 41 5.556% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 40 - QG2 VAL 18 5.556% * 0.0204% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 ARG+ 54 - QD2 LEU 104 5.556% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 67 - QD2 LEU 104 5.556% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 115 - QD2 LEU 104 5.556% * 0.0046% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 58 - QD2 LEU 104 5.556% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 40 - QD2 LEU 104 5.556% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 83 (0.86, 0.75, 22.78 ppm): 18 chemical-shift based assignments, quality = 0.936, support = 3.66, residual support = 65.5: * O T QG1 VAL 18 - QG2 VAL 18 5.556% * 89.5973% (1.00 10.0 10.00 3.86 65.62) = 89.597% kept T QG1 VAL 18 - QG1 VAL 41 5.556% * 5.6563% (0.68 1.0 10.00 0.19 0.02) = 5.656% kept O T HB3 LEU 104 - QD2 LEU 104 5.556% * 3.8008% (0.04 10.0 10.00 5.07 177.31) = 3.801% kept T HB3 LEU 104 - QG2 VAL 18 5.556% * 0.3177% (0.35 1.0 10.00 0.02 0.02) = 0.318% T QG1 VAL 18 - QD2 LEU 104 5.556% * 0.1072% (0.12 1.0 10.00 0.02 0.02) = 0.107% QG1 VAL 70 - QG2 VAL 18 5.556% * 0.0871% (0.97 1.0 1.00 0.02 0.54) = 0.087% QD1 LEU 123 - QG2 VAL 18 5.556% * 0.0691% (0.77 1.0 1.00 0.02 0.02) = 0.069% QD1 LEU 71 - QG2 VAL 18 5.556% * 0.0691% (0.77 1.0 1.00 0.02 0.02) = 0.069% QG1 VAL 70 - QG1 VAL 41 5.556% * 0.0591% (0.66 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 63 - QG2 VAL 18 5.556% * 0.0522% (0.58 1.0 1.00 0.02 0.02) = 0.052% QD1 LEU 71 - QG1 VAL 41 5.556% * 0.0469% (0.52 1.0 1.00 0.02 1.17) = 0.047% QD1 LEU 123 - QG1 VAL 41 5.556% * 0.0469% (0.52 1.0 1.00 0.02 0.52) = 0.047% HB3 LEU 63 - QG1 VAL 41 5.556% * 0.0354% (0.40 1.0 1.00 0.02 0.02) = 0.035% HB3 LEU 104 - QG1 VAL 41 5.556% * 0.0216% (0.24 1.0 1.00 0.02 0.02) = 0.022% QG1 VAL 70 - QD2 LEU 104 5.556% * 0.0104% (0.12 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 123 - QD2 LEU 104 5.556% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% QD1 LEU 71 - QD2 LEU 104 5.556% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 63 - QD2 LEU 104 5.556% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 84 (0.75, 0.75, 22.78 ppm): 3 diagonal assignments: * QG2 VAL 18 - QG2 VAL 18 (1.00) kept QG1 VAL 41 - QG1 VAL 41 (0.46) kept QD2 LEU 104 - QD2 LEU 104 (0.05) kept Peak 85 (4.18, 4.18, 60.49 ppm): 1 diagonal assignment: * HA ILE 19 - HA ILE 19 (1.00) kept Peak 86 (2.00, 4.18, 60.49 ppm): 9 chemical-shift based assignments, quality = 0.99, support = 4.61, residual support = 98.8: * O T HB ILE 19 - HA ILE 19 11.111% * 97.2350% (1.00 10.0 10.00 4.73 101.63) = 97.235% kept QB GLU- 114 - HA ILE 19 11.111% * 1.8379% (0.99 1.0 1.00 0.38 0.02) = 1.838% kept T HB3 GLU- 25 - HA ILE 19 11.111% * 0.6602% (0.68 1.0 10.00 0.02 0.02) = 0.660% HG2 PRO 68 - HA ILE 19 11.111% * 0.0960% (0.99 1.0 1.00 0.02 0.02) = 0.096% QB GLU- 15 - HA ILE 19 11.111% * 0.0429% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 GLN 17 - HA ILE 19 11.111% * 0.0429% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 LYS+ 111 - HA ILE 19 11.111% * 0.0345% (0.35 1.0 1.00 0.02 0.02) = 0.034% HG3 PRO 58 - HA ILE 19 11.111% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 LEU 115 - HA ILE 19 11.111% * 0.0237% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 87 (1.42, 4.18, 60.49 ppm): 12 chemical-shift based assignments, quality = 0.94, support = 4.95, residual support = 94.6: * O T HG12 ILE 19 - HA ILE 19 8.333% * 92.7488% (1.00 10.0 10.00 5.30 101.63) = 92.749% kept T HG LEU 73 - HA ILE 19 8.333% * 5.9090% (0.21 1.0 10.00 0.60 5.71) = 5.909% kept T HG LEU 80 - HA ILE 19 8.333% * 0.9012% (0.97 1.0 10.00 0.02 0.02) = 0.901% QB ALA 110 - HA ILE 19 8.333% * 0.0916% (0.99 1.0 1.00 0.02 0.02) = 0.092% QB ALA 61 - HA ILE 19 8.333% * 0.0756% (0.81 1.0 1.00 0.02 0.02) = 0.076% HB2 LEU 80 - HA ILE 19 8.333% * 0.0630% (0.68 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 67 - HA ILE 19 8.333% * 0.0585% (0.63 1.0 1.00 0.02 0.02) = 0.059% HD3 LYS+ 121 - HA ILE 19 8.333% * 0.0451% (0.49 1.0 1.00 0.02 0.02) = 0.045% HB3 LYS+ 74 - HA ILE 19 8.333% * 0.0409% (0.44 1.0 1.00 0.02 5.32) = 0.041% QG LYS+ 66 - HA ILE 19 8.333% * 0.0368% (0.40 1.0 1.00 0.02 0.02) = 0.037% QB LEU 98 - HA ILE 19 8.333% * 0.0171% (0.18 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 102 - HA ILE 19 8.333% * 0.0126% (0.14 1.0 1.00 0.02 3.31) = 0.013% Peak 88 (1.25, 4.18, 60.49 ppm): 8 chemical-shift based assignments, quality = 0.966, support = 3.96, residual support = 83.9: * O T HG13 ILE 19 - HA ILE 19 12.500% * 82.1850% (1.00 10.0 10.00 4.73 101.63) = 82.185% kept T HG LEU 71 - HA ILE 19 12.500% * 15.5392% (0.85 1.0 10.00 0.44 2.27) = 15.539% kept HG2 LYS+ 74 - HA ILE 19 12.500% * 1.2643% (0.89 1.0 1.00 0.35 5.32) = 1.264% kept HG3 LYS+ 99 - HA ILE 19 12.500% * 0.6480% (0.92 1.0 1.00 0.17 0.02) = 0.648% T QG2 ILE 56 - HA ILE 19 12.500% * 0.2004% (0.24 1.0 10.00 0.02 0.02) = 0.200% QB ALA 91 - HA ILE 19 12.500% * 0.0634% (0.77 1.0 1.00 0.02 0.02) = 0.063% QG2 THR 39 - HA ILE 19 12.500% * 0.0634% (0.77 1.0 1.00 0.02 0.02) = 0.063% HG3 LYS+ 38 - HA ILE 19 12.500% * 0.0362% (0.44 1.0 1.00 0.02 0.02) = 0.036% Peak 89 (0.74, 4.18, 60.49 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 4.51, residual support = 90.6: * T QD1 ILE 19 - HA ILE 19 16.667% * 87.0256% (1.00 10.00 4.61 101.63) = 87.026% kept QG2 VAL 18 - HA ILE 19 16.667% * 11.6318% (0.63 1.00 4.24 18.58) = 11.632% kept QG2 THR 46 - HA ILE 19 16.667% * 1.2130% (0.77 1.00 0.36 1.78) = 1.213% kept QD2 LEU 104 - HA ILE 19 16.667% * 0.0827% (0.95 1.00 0.02 0.02) = 0.083% QG1 VAL 43 - HA ILE 19 16.667% * 0.0309% (0.35 1.00 0.02 0.02) = 0.031% QG1 VAL 41 - HA ILE 19 16.667% * 0.0160% (0.18 1.00 0.02 0.02) = 0.016% Peak 90 (4.18, 2.00, 37.78 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 4.58, residual support = 98.2: * O T HA ILE 19 - HB ILE 19 25.000% * 96.5975% (1.00 10.0 10.00 4.73 101.63) = 96.598% kept HA CYS 53 - HB ILE 19 25.000% * 2.3060% (0.85 1.0 1.00 0.56 0.02) = 2.306% kept T HA GLU- 25 - HB ILE 19 25.000% * 0.8609% (0.89 1.0 10.00 0.02 0.02) = 0.861% T HA SER 82 - HB ILE 19 25.000% * 0.2356% (0.24 1.0 10.00 0.02 0.16) = 0.236% Peak 91 (2.00, 2.00, 37.78 ppm): 1 diagonal assignment: * HB ILE 19 - HB ILE 19 (1.00) kept Peak 92 (1.42, 2.00, 37.78 ppm): 12 chemical-shift based assignments, quality = 0.839, support = 3.78, residual support = 81.7: * O T HG12 ILE 19 - HB ILE 19 8.333% * 79.2922% (1.00 10.0 10.00 4.24 101.63) = 79.292% kept T HG LEU 73 - HB ILE 19 8.333% * 16.8498% (0.21 1.0 10.00 2.29 5.71) = 16.850% kept HB3 LYS+ 74 - HB ILE 19 8.333% * 2.2953% (0.44 1.0 1.00 1.31 5.32) = 2.295% kept T HG LEU 80 - HB ILE 19 8.333% * 0.7704% (0.97 1.0 10.00 0.02 0.02) = 0.770% T HB3 LEU 67 - HB ILE 19 8.333% * 0.5002% (0.63 1.0 10.00 0.02 0.02) = 0.500% QB ALA 110 - HB ILE 19 8.333% * 0.0783% (0.99 1.0 1.00 0.02 0.02) = 0.078% QB ALA 61 - HB ILE 19 8.333% * 0.0646% (0.81 1.0 1.00 0.02 0.02) = 0.065% HB2 LEU 80 - HB ILE 19 8.333% * 0.0538% (0.68 1.0 1.00 0.02 0.02) = 0.054% HD3 LYS+ 121 - HB ILE 19 8.333% * 0.0386% (0.49 1.0 1.00 0.02 0.02) = 0.039% QG LYS+ 66 - HB ILE 19 8.333% * 0.0314% (0.40 1.0 1.00 0.02 0.02) = 0.031% QB LEU 98 - HB ILE 19 8.333% * 0.0146% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG2 LYS+ 102 - HB ILE 19 8.333% * 0.0107% (0.14 1.0 1.00 0.02 3.31) = 0.011% Peak 93 (1.25, 2.00, 37.78 ppm): 8 chemical-shift based assignments, quality = 0.943, support = 2.63, residual support = 57.8: * O T HG13 ILE 19 - HB ILE 19 12.500% * 55.0856% (1.00 10.0 10.00 4.00 101.63) = 55.086% kept T HG2 LYS+ 74 - HB ILE 19 12.500% * 25.3827% (0.89 1.0 10.00 1.03 5.32) = 25.383% kept T HG LEU 71 - HB ILE 19 12.500% * 19.3582% (0.85 1.0 10.00 0.82 2.27) = 19.358% kept HG3 LYS+ 99 - HB ILE 19 12.500% * 0.0509% (0.92 1.0 1.00 0.02 0.02) = 0.051% QB ALA 91 - HB ILE 19 12.500% * 0.0425% (0.77 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 39 - HB ILE 19 12.500% * 0.0425% (0.77 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 38 - HB ILE 19 12.500% * 0.0243% (0.44 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 56 - HB ILE 19 12.500% * 0.0134% (0.24 1.0 1.00 0.02 0.02) = 0.013% Peak 94 (0.74, 2.00, 37.78 ppm): 6 chemical-shift based assignments, quality = 0.953, support = 3.83, residual support = 90.7: * O T QD1 ILE 19 - HB ILE 19 16.667% * 87.1475% (1.00 10.0 10.00 3.83 101.63) = 87.148% kept QG2 VAL 18 - HB ILE 19 16.667% * 11.5743% (0.63 1.0 1.00 4.21 18.58) = 11.574% kept QG2 THR 46 - HB ILE 19 16.667% * 1.1485% (0.77 1.0 1.00 0.34 1.78) = 1.148% kept QD2 LEU 104 - HB ILE 19 16.667% * 0.0828% (0.95 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 43 - HB ILE 19 16.667% * 0.0309% (0.35 1.0 1.00 0.02 0.02) = 0.031% QG1 VAL 41 - HB ILE 19 16.667% * 0.0160% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 95 (4.18, 1.42, 27.25 ppm): 12 chemical-shift based assignments, quality = 0.988, support = 5.15, residual support = 98.4: * O T HA ILE 19 - HG12 ILE 19 8.333% * 96.8281% (1.00 10.0 10.00 5.30 101.63) = 96.828% kept HA CYS 53 - HG12 ILE 19 8.333% * 2.3538% (0.85 1.0 1.00 0.57 0.02) = 2.354% kept T HA ILE 19 - HG LEU 80 8.333% * 0.3937% (0.41 1.0 10.00 0.02 0.02) = 0.394% T HA ILE 19 - HG LEU 73 8.333% * 0.1970% (0.20 1.0 10.00 0.02 5.71) = 0.197% HA GLU- 25 - HG12 ILE 19 8.333% * 0.0863% (0.89 1.0 1.00 0.02 0.02) = 0.086% HA GLU- 25 - HG LEU 80 8.333% * 0.0351% (0.36 1.0 1.00 0.02 0.02) = 0.035% HA CYS 53 - HG LEU 80 8.333% * 0.0337% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA SER 82 - HG12 ILE 19 8.333% * 0.0236% (0.24 1.0 1.00 0.02 0.16) = 0.024% HA GLU- 25 - HG LEU 73 8.333% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA CYS 53 - HG LEU 73 8.333% * 0.0168% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA SER 82 - HG LEU 80 8.333% * 0.0096% (0.10 1.0 1.00 0.02 0.15) = 0.010% HA SER 82 - HG LEU 73 8.333% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 96 (2.00, 1.42, 27.25 ppm): 27 chemical-shift based assignments, quality = 0.857, support = 3.87, residual support = 84.6: * O T HB ILE 19 - HG12 ILE 19 3.704% * 82.3301% (1.00 10.0 10.00 4.24 101.63) = 82.330% kept T HB ILE 19 - HG LEU 73 3.704% * 16.7504% (0.20 1.0 10.00 2.29 5.71) = 16.750% kept T HB ILE 19 - HG LEU 80 3.704% * 0.3347% (0.41 1.0 10.00 0.02 0.02) = 0.335% HG2 PRO 68 - HG12 ILE 19 3.704% * 0.0813% (0.99 1.0 1.00 0.02 0.02) = 0.081% QB GLU- 114 - HG12 ILE 19 3.704% * 0.0813% (0.99 1.0 1.00 0.02 0.02) = 0.081% HB3 GLU- 25 - HG12 ILE 19 3.704% * 0.0559% (0.68 1.0 1.00 0.02 0.02) = 0.056% QB GLU- 15 - HG12 ILE 19 3.704% * 0.0363% (0.44 1.0 1.00 0.02 0.02) = 0.036% HB2 GLN 17 - HG12 ILE 19 3.704% * 0.0363% (0.44 1.0 1.00 0.02 0.02) = 0.036% QB GLU- 114 - HG LEU 80 3.704% * 0.0330% (0.40 1.0 1.00 0.02 0.02) = 0.033% HG2 PRO 68 - HG LEU 80 3.704% * 0.0330% (0.40 1.0 1.00 0.02 0.02) = 0.033% HB2 LYS+ 111 - HG12 ILE 19 3.704% * 0.0292% (0.35 1.0 1.00 0.02 0.02) = 0.029% HG3 PRO 58 - HG12 ILE 19 3.704% * 0.0229% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 25 - HG LEU 80 3.704% * 0.0227% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 115 - HG12 ILE 19 3.704% * 0.0201% (0.24 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 68 - HG LEU 73 3.704% * 0.0165% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB GLU- 114 - HG LEU 73 3.704% * 0.0165% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB GLU- 15 - HG LEU 80 3.704% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB2 GLN 17 - HG LEU 80 3.704% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 111 - HG LEU 80 3.704% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 25 - HG LEU 73 3.704% * 0.0114% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 58 - HG LEU 80 3.704% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB2 LEU 115 - HG LEU 80 3.704% * 0.0082% (0.10 1.0 1.00 0.02 0.22) = 0.008% QB GLU- 15 - HG LEU 73 3.704% * 0.0074% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 GLN 17 - HG LEU 73 3.704% * 0.0074% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 111 - HG LEU 73 3.704% * 0.0059% (0.07 1.0 1.00 0.02 0.13) = 0.006% HG3 PRO 58 - HG LEU 73 3.704% * 0.0047% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB2 LEU 115 - HG LEU 73 3.704% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 97 (1.42, 1.42, 27.25 ppm): 3 diagonal assignments: * HG12 ILE 19 - HG12 ILE 19 (1.00) kept HG LEU 80 - HG LEU 80 (0.40) kept HG LEU 73 - HG LEU 73 (0.04) kept Peak 98 (1.25, 1.42, 27.25 ppm): 24 chemical-shift based assignments, quality = 0.839, support = 2.9, residual support = 63.6: * O T HG13 ILE 19 - HG12 ILE 19 4.167% * 61.3823% (1.00 10.0 10.00 4.12 101.63) = 61.382% kept T HG LEU 71 - HG12 ILE 19 4.167% * 22.3488% (0.85 1.0 10.00 0.85 2.27) = 22.349% kept T HG LEU 71 - HG LEU 73 4.167% * 7.2305% (0.17 1.0 10.00 1.35 3.20) = 7.230% kept T HG LEU 71 - HG LEU 80 4.167% * 3.4082% (0.35 1.0 10.00 0.32 0.02) = 3.408% kept T HG13 ILE 19 - HG LEU 73 4.167% * 3.2176% (0.20 1.0 10.00 0.52 5.71) = 3.218% kept HG2 LYS+ 74 - HG LEU 73 4.167% * 1.7747% (0.18 1.0 1.00 3.19 18.59) = 1.775% kept T HG13 ILE 19 - HG LEU 80 4.167% * 0.2496% (0.41 1.0 10.00 0.02 0.02) = 0.250% HG3 LYS+ 99 - HG12 ILE 19 4.167% * 0.0567% (0.92 1.0 1.00 0.02 0.02) = 0.057% HG2 LYS+ 74 - HG12 ILE 19 4.167% * 0.0547% (0.89 1.0 1.00 0.02 5.32) = 0.055% QG2 THR 39 - HG12 ILE 19 4.167% * 0.0474% (0.77 1.0 1.00 0.02 0.02) = 0.047% QB ALA 91 - HG12 ILE 19 4.167% * 0.0474% (0.77 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 38 - HG12 ILE 19 4.167% * 0.0271% (0.44 1.0 1.00 0.02 0.02) = 0.027% HG3 LYS+ 99 - HG LEU 80 4.167% * 0.0230% (0.38 1.0 1.00 0.02 0.10) = 0.023% HG2 LYS+ 74 - HG LEU 80 4.167% * 0.0222% (0.36 1.0 1.00 0.02 0.02) = 0.022% QB ALA 91 - HG LEU 80 4.167% * 0.0193% (0.31 1.0 1.00 0.02 0.02) = 0.019% QG2 THR 39 - HG LEU 80 4.167% * 0.0193% (0.31 1.0 1.00 0.02 0.02) = 0.019% QG2 ILE 56 - HG12 ILE 19 4.167% * 0.0150% (0.24 1.0 1.00 0.02 0.02) = 0.015% HG3 LYS+ 99 - HG LEU 73 4.167% * 0.0115% (0.19 1.0 1.00 0.02 0.02) = 0.012% HG3 LYS+ 38 - HG LEU 80 4.167% * 0.0110% (0.18 1.0 1.00 0.02 0.02) = 0.011% QB ALA 91 - HG LEU 73 4.167% * 0.0096% (0.16 1.0 1.00 0.02 0.02) = 0.010% QG2 THR 39 - HG LEU 73 4.167% * 0.0096% (0.16 1.0 1.00 0.02 0.02) = 0.010% QG2 ILE 56 - HG LEU 80 4.167% * 0.0061% (0.10 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 38 - HG LEU 73 4.167% * 0.0055% (0.09 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 56 - HG LEU 73 4.167% * 0.0030% (0.05 1.0 1.00 0.02 0.45) = 0.003% Peak 99 (0.74, 1.42, 27.25 ppm): 18 chemical-shift based assignments, quality = 0.935, support = 3.67, residual support = 90.0: * O T QD1 ILE 19 - HG12 ILE 19 5.556% * 86.4853% (1.00 10.0 10.00 3.78 101.63) = 86.485% kept QG2 VAL 18 - HG12 ILE 19 5.556% * 10.2926% (0.63 1.0 1.00 3.77 18.58) = 10.293% kept T QD1 ILE 19 - HG LEU 73 5.556% * 2.5225% (0.20 1.0 10.00 0.29 5.71) = 2.522% kept T QD1 ILE 19 - HG LEU 80 5.556% * 0.3516% (0.41 1.0 10.00 0.02 0.02) = 0.352% QD2 LEU 104 - HG12 ILE 19 5.556% * 0.0822% (0.95 1.0 1.00 0.02 0.02) = 0.082% QG2 THR 46 - HG12 ILE 19 5.556% * 0.0667% (0.77 1.0 1.00 0.02 1.78) = 0.067% QD2 LEU 104 - HG LEU 80 5.556% * 0.0334% (0.39 1.0 1.00 0.02 0.02) = 0.033% QG1 VAL 43 - HG12 ILE 19 5.556% * 0.0307% (0.35 1.0 1.00 0.02 0.02) = 0.031% QG2 THR 46 - HG LEU 80 5.556% * 0.0271% (0.31 1.0 1.00 0.02 0.02) = 0.027% QG2 VAL 18 - HG LEU 80 5.556% * 0.0222% (0.26 1.0 1.00 0.02 0.02) = 0.022% QD2 LEU 104 - HG LEU 73 5.556% * 0.0167% (0.19 1.0 1.00 0.02 0.02) = 0.017% QG1 VAL 41 - HG12 ILE 19 5.556% * 0.0159% (0.18 1.0 1.00 0.02 0.02) = 0.016% QG2 THR 46 - HG LEU 73 5.556% * 0.0136% (0.16 1.0 1.00 0.02 0.02) = 0.014% QG1 VAL 43 - HG LEU 80 5.556% * 0.0125% (0.14 1.0 1.00 0.02 0.02) = 0.012% QG2 VAL 18 - HG LEU 73 5.556% * 0.0111% (0.13 1.0 1.00 0.02 0.10) = 0.011% QG1 VAL 41 - HG LEU 80 5.556% * 0.0065% (0.07 1.0 1.00 0.02 0.58) = 0.006% QG1 VAL 43 - HG LEU 73 5.556% * 0.0062% (0.07 1.0 1.00 0.02 2.21) = 0.006% QG1 VAL 41 - HG LEU 73 5.556% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 100 (4.18, 1.25, 27.25 ppm): 8 chemical-shift based assignments, quality = 0.988, support = 4.67, residual support = 100.4: * O T HA ILE 19 - HG13 ILE 19 12.500% * 98.7778% (1.00 10.0 10.00 4.73 101.63) = 98.778% kept T HA CYS 53 - HG13 ILE 19 12.500% * 0.8444% (0.85 1.0 10.00 0.02 0.02) = 0.844% T HA ILE 19 - HG LEU 71 12.500% * 0.1350% (0.14 1.0 10.00 0.02 2.27) = 0.135% T HA CYS 53 - HG LEU 71 12.500% * 0.1154% (0.12 1.0 10.00 0.02 0.02) = 0.115% HA GLU- 25 - HG13 ILE 19 12.500% * 0.0880% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA SER 82 - HG13 ILE 19 12.500% * 0.0241% (0.24 1.0 1.00 0.02 0.16) = 0.024% HA GLU- 25 - HG LEU 71 12.500% * 0.0120% (0.12 1.0 1.00 0.02 0.15) = 0.012% HA SER 82 - HG LEU 71 12.500% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 101 (2.00, 1.25, 27.25 ppm): 18 chemical-shift based assignments, quality = 0.993, support = 3.97, residual support = 100.9: * O T HB ILE 19 - HG13 ILE 19 5.556% * 99.3229% (1.00 10.0 10.00 4.00 101.63) = 99.323% kept T HB ILE 19 - HG LEU 71 5.556% * 0.1357% (0.14 1.0 10.00 0.02 2.27) = 0.136% HG2 PRO 68 - HG13 ILE 19 5.556% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% QB GLU- 114 - HG13 ILE 19 5.556% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - HG13 ILE 19 5.556% * 0.0674% (0.68 1.0 1.00 0.02 0.02) = 0.067% T HB2 LYS+ 111 - HG LEU 71 5.556% * 0.0481% (0.05 1.0 10.00 0.02 0.02) = 0.048% HB2 GLN 17 - HG13 ILE 19 5.556% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB GLU- 15 - HG13 ILE 19 5.556% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 111 - HG13 ILE 19 5.556% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 58 - HG13 ILE 19 5.556% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 LEU 115 - HG13 ILE 19 5.556% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% QB GLU- 114 - HG LEU 71 5.556% * 0.0134% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 68 - HG LEU 71 5.556% * 0.0134% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 25 - HG LEU 71 5.556% * 0.0092% (0.09 1.0 1.00 0.02 0.15) = 0.009% QB GLU- 15 - HG LEU 71 5.556% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 GLN 17 - HG LEU 71 5.556% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 58 - HG LEU 71 5.556% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 115 - HG LEU 71 5.556% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 102 (1.42, 1.25, 27.25 ppm): 24 chemical-shift based assignments, quality = 0.976, support = 4.0, residual support = 98.4: * O T HG12 ILE 19 - HG13 ILE 19 4.167% * 96.8205% (1.00 10.0 10.00 4.12 101.63) = 96.821% kept HB3 LEU 67 - HG13 ILE 19 4.167% * 1.2818% (0.63 1.0 1.00 0.42 0.02) = 1.282% kept T HG LEU 80 - HG13 ILE 19 4.167% * 0.9407% (0.97 1.0 10.00 0.02 0.02) = 0.941% T HG LEU 73 - HG13 ILE 19 4.167% * 0.2057% (0.21 1.0 10.00 0.02 5.71) = 0.206% T HG12 ILE 19 - HG LEU 71 4.167% * 0.1323% (0.14 1.0 10.00 0.02 2.27) = 0.132% T HG LEU 80 - HG LEU 71 4.167% * 0.1285% (0.13 1.0 10.00 0.02 0.02) = 0.129% QB ALA 110 - HG13 ILE 19 4.167% * 0.0956% (0.99 1.0 1.00 0.02 0.02) = 0.096% QB ALA 61 - HG13 ILE 19 4.167% * 0.0789% (0.81 1.0 1.00 0.02 0.02) = 0.079% HB2 LEU 80 - HG13 ILE 19 4.167% * 0.0657% (0.68 1.0 1.00 0.02 0.02) = 0.066% HD3 LYS+ 121 - HG13 ILE 19 4.167% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 74 - HG13 ILE 19 4.167% * 0.0427% (0.44 1.0 1.00 0.02 5.32) = 0.043% QG LYS+ 66 - HG13 ILE 19 4.167% * 0.0384% (0.40 1.0 1.00 0.02 0.02) = 0.038% T HG LEU 73 - HG LEU 71 4.167% * 0.0281% (0.03 1.0 10.00 0.02 3.20) = 0.028% QB LEU 98 - HG13 ILE 19 4.167% * 0.0178% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 102 - HG13 ILE 19 4.167% * 0.0131% (0.14 1.0 1.00 0.02 3.31) = 0.013% QB ALA 110 - HG LEU 71 4.167% * 0.0131% (0.13 1.0 1.00 0.02 0.02) = 0.013% QB ALA 61 - HG LEU 71 4.167% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LEU 80 - HG LEU 71 4.167% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 67 - HG LEU 71 4.167% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% HD3 LYS+ 121 - HG LEU 71 4.167% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 74 - HG LEU 71 4.167% * 0.0058% (0.06 1.0 1.00 0.02 1.99) = 0.006% QG LYS+ 66 - HG LEU 71 4.167% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% QB LEU 98 - HG LEU 71 4.167% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG2 LYS+ 102 - HG LEU 71 4.167% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 103 (1.25, 1.25, 27.25 ppm): 2 diagonal assignments: * HG13 ILE 19 - HG13 ILE 19 (1.00) kept HG LEU 71 - HG LEU 71 (0.12) kept Peak 104 (0.74, 1.25, 27.25 ppm): 12 chemical-shift based assignments, quality = 0.952, support = 3.76, residual support = 91.6: * O T QD1 ILE 19 - HG13 ILE 19 8.333% * 88.0656% (1.00 10.0 10.00 3.75 101.63) = 88.066% kept QG2 VAL 18 - HG13 ILE 19 8.333% * 11.3308% (0.63 1.0 1.00 4.08 18.58) = 11.331% kept QG1 VAL 43 - HG13 ILE 19 8.333% * 0.2806% (0.35 1.0 1.00 0.18 0.02) = 0.281% T QD1 ILE 19 - HG LEU 71 8.333% * 0.1203% (0.14 1.0 10.00 0.02 2.27) = 0.120% QD2 LEU 104 - HG13 ILE 19 8.333% * 0.0837% (0.95 1.0 1.00 0.02 0.02) = 0.084% QG2 THR 46 - HG13 ILE 19 8.333% * 0.0680% (0.77 1.0 1.00 0.02 1.78) = 0.068% QG1 VAL 41 - HG13 ILE 19 8.333% * 0.0162% (0.18 1.0 1.00 0.02 0.02) = 0.016% QD2 LEU 104 - HG LEU 71 8.333% * 0.0114% (0.13 1.0 1.00 0.02 0.02) = 0.011% QG2 THR 46 - HG LEU 71 8.333% * 0.0093% (0.11 1.0 1.00 0.02 0.02) = 0.009% QG2 VAL 18 - HG LEU 71 8.333% * 0.0076% (0.09 1.0 1.00 0.02 0.02) = 0.008% QG1 VAL 43 - HG LEU 71 8.333% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% QG1 VAL 41 - HG LEU 71 8.333% * 0.0022% (0.03 1.0 1.00 0.02 1.17) = 0.002% Peak 105 (4.18, 0.74, 12.33 ppm): 4 chemical-shift based assignments, quality = 0.99, support = 4.48, residual support = 98.4: * T HA ILE 19 - QD1 ILE 19 25.000% * 96.8634% (1.00 10.00 4.61 101.63) = 96.863% kept HA CYS 53 - QD1 ILE 19 25.000% * 2.5433% (0.85 1.00 0.61 0.02) = 2.543% kept HA SER 82 - QD1 ILE 19 25.000% * 0.5071% (0.24 1.00 0.43 0.16) = 0.507% HA GLU- 25 - QD1 ILE 19 25.000% * 0.0863% (0.89 1.00 0.02 0.02) = 0.086% Peak 106 (2.00, 0.74, 12.33 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 3.82, residual support = 101.2: * O T HB ILE 19 - QD1 ILE 19 11.111% * 99.5608% (1.00 10.0 10.00 3.83 101.63) = 99.561% kept QB GLU- 114 - QD1 ILE 19 11.111% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 PRO 68 - QD1 ILE 19 11.111% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - QD1 ILE 19 11.111% * 0.0676% (0.68 1.0 1.00 0.02 0.02) = 0.068% QB GLU- 15 - QD1 ILE 19 11.111% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 17 - QD1 ILE 19 11.111% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 111 - QD1 ILE 19 11.111% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 58 - QD1 ILE 19 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 LEU 115 - QD1 ILE 19 11.111% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 107 (1.42, 0.74, 12.33 ppm): 12 chemical-shift based assignments, quality = 0.984, support = 3.72, residual support = 100.0: * O T HG12 ILE 19 - QD1 ILE 19 8.333% * 98.3674% (1.00 10.0 10.00 3.78 101.63) = 98.367% kept T HG LEU 80 - QD1 ILE 19 8.333% * 0.9557% (0.97 1.0 10.00 0.02 0.02) = 0.956% T HG LEU 73 - QD1 ILE 19 8.333% * 0.2090% (0.21 1.0 10.00 0.02 5.71) = 0.209% QB ALA 110 - QD1 ILE 19 8.333% * 0.0971% (0.99 1.0 1.00 0.02 0.02) = 0.097% QB ALA 61 - QD1 ILE 19 8.333% * 0.0802% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB2 LEU 80 - QD1 ILE 19 8.333% * 0.0668% (0.68 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 67 - QD1 ILE 19 8.333% * 0.0620% (0.63 1.0 1.00 0.02 0.02) = 0.062% HD3 LYS+ 121 - QD1 ILE 19 8.333% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 74 - QD1 ILE 19 8.333% * 0.0434% (0.44 1.0 1.00 0.02 5.32) = 0.043% QG LYS+ 66 - QD1 ILE 19 8.333% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% QB LEU 98 - QD1 ILE 19 8.333% * 0.0181% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 102 - QD1 ILE 19 8.333% * 0.0133% (0.14 1.0 1.00 0.02 3.31) = 0.013% Peak 108 (1.25, 0.74, 12.33 ppm): 8 chemical-shift based assignments, quality = 0.984, support = 3.69, residual support = 100.0: * O T HG13 ILE 19 - QD1 ILE 19 12.500% * 98.4254% (1.00 10.0 10.00 3.75 101.63) = 98.425% kept T HG LEU 71 - QD1 ILE 19 12.500% * 0.8414% (0.85 1.0 10.00 0.02 2.27) = 0.841% HG3 LYS+ 99 - QD1 ILE 19 12.500% * 0.4262% (0.92 1.0 1.00 0.09 0.02) = 0.426% HG2 LYS+ 74 - QD1 ILE 19 12.500% * 0.0877% (0.89 1.0 1.00 0.02 5.32) = 0.088% QB ALA 91 - QD1 ILE 19 12.500% * 0.0760% (0.77 1.0 1.00 0.02 0.02) = 0.076% QG2 THR 39 - QD1 ILE 19 12.500% * 0.0760% (0.77 1.0 1.00 0.02 0.02) = 0.076% HG3 LYS+ 38 - QD1 ILE 19 12.500% * 0.0434% (0.44 1.0 1.00 0.02 0.02) = 0.043% QG2 ILE 56 - QD1 ILE 19 12.500% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 109 (0.74, 0.74, 12.33 ppm): 1 diagonal assignment: * QD1 ILE 19 - QD1 ILE 19 (1.00) kept Peak 110 (4.63, 4.63, 51.23 ppm): 1 diagonal assignment: * HA ALA 20 - HA ALA 20 (1.00) kept Peak 111 (1.14, 4.63, 51.23 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 14.2: * O T QB ALA 20 - HA ALA 20 20.000% * 98.2979% (1.00 10.0 10.00 2.30 14.41) = 98.298% kept HG13 ILE 119 - HA ALA 20 20.000% * 1.5349% (0.58 1.0 1.00 0.54 0.02) = 1.535% kept HG2 LYS+ 121 - HA ALA 20 20.000% * 0.0714% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 LEU 31 - HA ALA 20 20.000% * 0.0525% (0.53 1.0 1.00 0.02 0.02) = 0.052% QG2 VAL 107 - HA ALA 20 20.000% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% Peak 112 (4.63, 1.14, 19.25 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 2.3, residual support = 14.4: * O T HA ALA 20 - QB ALA 20 50.000% * 99.9756% (1.00 10.0 10.00 2.30 14.41) = 99.976% kept HA LEU 71 - QB ALA 20 50.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 113 (1.14, 1.14, 19.25 ppm): 1 diagonal assignment: * QB ALA 20 - QB ALA 20 (1.00) kept Peak 114 (4.59, 4.59, 57.78 ppm): 1 diagonal assignment: * HA CYS 21 - HA CYS 21 (1.00) kept Peak 115 (3.08, 4.59, 57.78 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.48, residual support = 28.1: * O T HB2 CYS 21 - HA CYS 21 33.333% * 99.9316% (1.00 10.0 10.00 2.48 28.12) = 99.932% kept QE LYS+ 111 - HA CYS 21 33.333% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PHE 45 - HA CYS 21 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 116 (2.60, 4.59, 57.78 ppm): 2 chemical-shift based assignments, quality = 0.582, support = 2.5, residual support = 28.1: * O T HB3 CYS 21 - HA CYS 21 50.000% * 99.9459% (0.58 10.0 10.00 2.50 28.12) = 99.946% kept HG2 MET 96 - HA CYS 21 50.000% * 0.0541% (0.31 1.0 1.00 0.02 0.02) = 0.054% Peak 118 (3.08, 3.08, 28.30 ppm): 1 diagonal assignment: * HB2 CYS 21 - HB2 CYS 21 (1.00) kept Peak 119 (2.60, 3.08, 28.30 ppm): 2 chemical-shift based assignments, quality = 0.582, support = 2.55, residual support = 28.1: * O T HB3 CYS 21 - HB2 CYS 21 50.000% * 99.9459% (0.58 10.0 10.00 2.55 28.12) = 99.946% kept HG2 MET 96 - HB2 CYS 21 50.000% * 0.0541% (0.31 1.0 1.00 0.02 0.02) = 0.054% Peak 121 (3.08, 2.60, 28.30 ppm): 3 chemical-shift based assignments, quality = 0.582, support = 2.55, residual support = 28.1: * O T HB2 CYS 21 - HB3 CYS 21 33.333% * 99.9316% (0.58 10.0 10.00 2.55 28.12) = 99.932% kept QE LYS+ 111 - HB3 CYS 21 33.333% * 0.0440% (0.26 1.0 1.00 0.02 0.02) = 0.044% HB2 PHE 45 - HB3 CYS 21 33.333% * 0.0244% (0.14 1.0 1.00 0.02 0.02) = 0.024% Peak 122 (2.60, 2.60, 28.30 ppm): 1 diagonal assignment: * HB3 CYS 21 - HB3 CYS 21 (0.34) kept Peak 123 (4.68, 4.68, 56.96 ppm): 1 diagonal assignment: * HA HIS 22 - HA HIS 22 (0.85) kept Peak 124 (3.50, 4.68, 56.96 ppm): 3 chemical-shift based assignments, quality = 0.675, support = 2.21, residual support = 32.4: * O T HB2 HIS 22 - HA HIS 22 33.333% * 98.0474% (0.67 10.0 10.00 2.25 33.07) = 98.047% kept HA LEU 63 - HA HIS 22 33.333% * 1.9239% (0.92 1.0 1.00 0.29 0.39) = 1.924% kept HA2 GLY 101 - HA HIS 22 33.333% * 0.0287% (0.20 1.0 1.00 0.02 0.02) = 0.029% Peak 125 (3.24, 4.68, 56.96 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 3.33, residual support = 33.0: * O T HB3 HIS 22 - HA HIS 22 50.000% * 99.9229% (0.92 10.0 10.00 3.33 33.07) = 99.923% kept HD3 ARG+ 54 - HA HIS 22 50.000% * 0.0771% (0.71 1.0 1.00 0.02 0.02) = 0.077% Peak 126 (4.68, 3.50, 29.58 ppm): 3 chemical-shift based assignments, quality = 0.669, support = 2.24, residual support = 33.0: * O T HA HIS 22 - HB2 HIS 22 33.333% * 99.7935% (0.67 10.0 10.00 2.25 33.07) = 99.793% kept HA ASN 69 - HB2 HIS 22 33.333% * 0.1067% (0.72 1.0 1.00 0.02 0.02) = 0.107% HA VAL 43 - HB2 HIS 22 33.333% * 0.0998% (0.67 1.0 1.00 0.02 0.02) = 0.100% Peak 127 (3.50, 3.50, 29.58 ppm): 1 diagonal assignment: * HB2 HIS 22 - HB2 HIS 22 (0.53) kept Peak 128 (3.24, 3.50, 29.58 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 4.04, residual support = 33.0: * O T HB3 HIS 22 - HB2 HIS 22 50.000% * 99.9229% (0.73 10.0 10.00 4.05 33.07) = 99.923% kept HD3 ARG+ 54 - HB2 HIS 22 50.000% * 0.0771% (0.56 1.0 1.00 0.02 0.02) = 0.077% Peak 129 (4.68, 3.24, 29.58 ppm): 3 chemical-shift based assignments, quality = 0.921, support = 3.32, residual support = 33.0: * O T HA HIS 22 - HB3 HIS 22 33.333% * 99.7935% (0.92 10.0 10.00 3.33 33.07) = 99.793% kept HA ASN 69 - HB3 HIS 22 33.333% * 0.1067% (0.99 1.0 1.00 0.02 0.02) = 0.107% HA VAL 43 - HB3 HIS 22 33.333% * 0.0998% (0.92 1.0 1.00 0.02 0.02) = 0.100% Peak 130 (3.50, 3.24, 29.58 ppm): 3 chemical-shift based assignments, quality = 0.731, support = 3.97, residual support = 32.4: * O T HB2 HIS 22 - HB3 HIS 22 33.333% * 98.0491% (0.73 10.0 10.00 4.05 33.07) = 98.049% kept HA LEU 63 - HB3 HIS 22 33.333% * 1.9222% (1.00 1.0 1.00 0.29 0.39) = 1.922% kept HA2 GLY 101 - HB3 HIS 22 33.333% * 0.0287% (0.21 1.0 1.00 0.02 0.02) = 0.029% Peak 131 (3.24, 3.24, 29.58 ppm): 1 diagonal assignment: * HB3 HIS 22 - HB3 HIS 22 (1.00) kept Peak 132 (4.83, 4.83, 58.62 ppm): 1 diagonal assignment: * HA THR 23 - HA THR 23 (0.53) kept Peak 133 (1.28, 4.83, 58.62 ppm): 5 chemical-shift based assignments, quality = 0.718, support = 3.17, residual support = 12.5: * O T QG2 THR 23 - HA THR 23 20.000% * 98.8587% (0.73 10.0 10.00 3.20 12.66) = 98.859% kept QG2 THR 77 - HA THR 23 20.000% * 0.9811% (0.11 1.0 1.00 1.25 0.69) = 0.981% QB ALA 34 - HA THR 23 20.000% * 0.0763% (0.56 1.0 1.00 0.02 0.02) = 0.076% QG2 ILE 56 - HA THR 23 20.000% * 0.0528% (0.39 1.0 1.00 0.02 0.02) = 0.053% HG3 LYS+ 38 - HA THR 23 20.000% * 0.0311% (0.23 1.0 1.00 0.02 0.02) = 0.031% Peak 134 (4.83, 1.28, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.624, support = 3.06, residual support = 12.6: * O T HA THR 23 - QG2 THR 23 25.000% * 81.9836% (0.73 10.0 10.00 3.20 12.66) = 81.984% kept O HB THR 23 - QG2 THR 23 25.000% * 17.8735% (0.16 10.0 1.00 2.40 12.66) = 17.874% kept HA ASP- 78 - QG2 THR 23 25.000% * 0.1115% (0.99 1.0 1.00 0.02 0.02) = 0.111% HA LEU 80 - QG2 THR 23 25.000% * 0.0314% (0.28 1.0 1.00 0.02 1.52) = 0.031% Peak 135 (1.28, 1.28, 21.81 ppm): 1 diagonal assignment: * QG2 THR 23 - QG2 THR 23 (1.00) kept Peak 136 (3.77, 3.77, 66.14 ppm): 1 diagonal assignment: * HA VAL 24 - HA VAL 24 (1.00) kept Peak 137 (1.10, 3.77, 66.14 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 56.7: * O T QG1 VAL 24 - HA VAL 24 20.000% * 99.7669% (1.00 10.0 10.00 3.43 56.79) = 99.767% kept HD3 LYS+ 112 - HA VAL 24 20.000% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% QG1 VAL 107 - HA VAL 24 20.000% * 0.0770% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB3 LEU 31 - HA VAL 24 20.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG13 ILE 119 - HA VAL 24 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 138 (3.77, 1.10, 23.10 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.42, residual support = 56.7: * O T HA VAL 24 - QG1 VAL 24 33.333% * 99.9223% (1.00 10.0 10.00 3.43 56.79) = 99.922% kept HA LYS+ 38 - QG1 VAL 24 33.333% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% HD2 PRO 68 - QG1 VAL 24 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 139 (1.10, 1.10, 23.10 ppm): 1 diagonal assignment: * QG1 VAL 24 - QG1 VAL 24 (1.00) kept Peak 140 (4.18, 4.18, 61.45 ppm): 2 diagonal assignments: * HA GLU- 25 - HA GLU- 25 (1.00) kept HA SER 82 - HA SER 82 (0.13) kept Peak 141 (2.20, 4.18, 61.45 ppm): 10 chemical-shift based assignments, quality = 0.989, support = 5.12, residual support = 116.7: * O T HB2 GLU- 25 - HA GLU- 25 10.000% * 98.8771% (1.00 10.0 10.00 5.18 118.07) = 98.877% kept HB VAL 70 - HA GLU- 25 10.000% * 0.3744% (0.92 1.0 1.00 0.08 0.02) = 0.374% QG GLN 17 - HA GLU- 25 10.000% * 0.3614% (0.97 1.0 1.00 0.08 0.02) = 0.361% T HB2 GLU- 25 - HA SER 82 10.000% * 0.2570% (0.26 1.0 10.00 0.02 0.10) = 0.257% HB2 MET 96 - HA GLU- 25 10.000% * 0.0436% (0.44 1.0 1.00 0.02 0.02) = 0.044% QG GLN 17 - HA SER 82 10.000% * 0.0250% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB VAL 70 - HA SER 82 10.000% * 0.0237% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 38 - HA GLU- 25 10.000% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB2 MET 96 - HA SER 82 10.000% * 0.0113% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 38 - HA SER 82 10.000% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.005% Peak 142 (2.01, 4.18, 61.45 ppm): 18 chemical-shift based assignments, quality = 0.976, support = 4.88, residual support = 115.3: * O T HB3 GLU- 25 - HA GLU- 25 5.556% * 97.6350% (1.00 10.0 10.00 5.00 118.07) = 97.635% kept HB2 LYS+ 111 - HA GLU- 25 5.556% * 0.7840% (0.85 1.0 1.00 0.19 0.02) = 0.784% T HB ILE 19 - HA GLU- 25 5.556% * 0.6629% (0.68 1.0 10.00 0.02 0.02) = 0.663% T HB3 GLU- 25 - HA SER 82 5.556% * 0.2538% (0.26 1.0 10.00 0.02 0.10) = 0.254% T HB ILE 19 - HA SER 82 5.556% * 0.1723% (0.18 1.0 10.00 0.02 0.16) = 0.172% HB2 GLN 17 - HA GLU- 25 5.556% * 0.0901% (0.92 1.0 1.00 0.02 0.02) = 0.090% QB GLU- 15 - HA GLU- 25 5.556% * 0.0901% (0.92 1.0 1.00 0.02 0.02) = 0.090% QB GLU- 114 - HA GLU- 25 5.556% * 0.0753% (0.77 1.0 1.00 0.02 0.89) = 0.075% HG2 PRO 68 - HA GLU- 25 5.556% * 0.0569% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB3 PRO 68 - HA GLU- 25 5.556% * 0.0475% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 GLN 17 - HA SER 82 5.556% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% QB GLU- 15 - HA SER 82 5.556% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB2 LYS+ 111 - HA SER 82 5.556% * 0.0217% (0.22 1.0 1.00 0.02 0.02) = 0.022% QB GLU- 114 - HA SER 82 5.556% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 68 - HA SER 82 5.556% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HG3 GLN 30 - HA GLU- 25 5.556% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 68 - HA SER 82 5.556% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG3 GLN 30 - HA SER 82 5.556% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 143 (2.52, 4.18, 61.45 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 4.3, residual support = 117.6: * O T HG2 GLU- 25 - HA GLU- 25 10.000% * 99.6243% (1.00 10.0 10.00 4.31 118.07) = 99.624% kept T HG2 GLU- 25 - HA SER 82 10.000% * 0.2590% (0.26 1.0 10.00 0.02 0.10) = 0.259% HB3 TRP 87 - HA GLU- 25 10.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLN 116 - HA GLU- 25 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 95 - HA GLU- 25 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 GLN 116 - HA GLU- 25 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 TRP 87 - HA SER 82 10.000% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG3 GLN 116 - HA SER 82 10.000% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 PHE 95 - HA SER 82 10.000% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG2 GLN 116 - HA SER 82 10.000% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 144 (2.33, 4.18, 61.45 ppm): 14 chemical-shift based assignments, quality = 0.994, support = 3.69, residual support = 117.4: * O T HG3 GLU- 25 - HA GLU- 25 7.143% * 99.4165% (1.00 10.0 10.00 3.71 118.07) = 99.417% kept T HG3 GLU- 25 - HA SER 82 7.143% * 0.2585% (0.26 1.0 10.00 0.02 0.10) = 0.258% HG2 PRO 52 - HA GLU- 25 7.143% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 GLU- 79 - HA GLU- 25 7.143% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG GLU- 114 - HA GLU- 25 7.143% * 0.0394% (0.40 1.0 1.00 0.02 0.89) = 0.039% HG2 MET 92 - HA GLU- 25 7.143% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 36 - HA GLU- 25 7.143% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 52 - HA SER 82 7.143% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 58 - HA GLU- 25 7.143% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 79 - HA SER 82 7.143% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% QG GLU- 114 - HA SER 82 7.143% * 0.0103% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 36 - HA SER 82 7.143% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 MET 92 - HA SER 82 7.143% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 PRO 58 - HA SER 82 7.143% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 145 (4.18, 2.20, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 5.14, residual support = 117.3: * O T HA GLU- 25 - HB2 GLU- 25 25.000% * 99.3699% (1.00 10.0 10.00 5.18 118.07) = 99.370% kept T HA SER 82 - HB2 GLU- 25 25.000% * 0.4837% (0.49 1.0 10.00 0.02 0.10) = 0.484% HA ILE 19 - HB2 GLU- 25 25.000% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA CYS 53 - HB2 GLU- 25 25.000% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% Peak 146 (2.20, 2.20, 28.95 ppm): 1 diagonal assignment: * HB2 GLU- 25 - HB2 GLU- 25 (1.00) kept Peak 147 (2.01, 2.20, 28.95 ppm): 9 chemical-shift based assignments, quality = 0.974, support = 5.1, residual support = 115.0: * O T HB3 GLU- 25 - HB2 GLU- 25 11.111% * 97.4324% (1.00 10.0 10.00 5.24 118.07) = 97.432% kept T QB GLU- 15 - HB2 GLU- 25 11.111% * 0.8994% (0.92 1.0 10.00 0.02 0.02) = 0.899% T HB2 GLN 17 - HB2 GLU- 25 11.111% * 0.8994% (0.92 1.0 10.00 0.02 0.02) = 0.899% T HB3 PRO 68 - HB2 GLU- 25 11.111% * 0.4743% (0.49 1.0 10.00 0.02 0.02) = 0.474% HB2 LYS+ 111 - HB2 GLU- 25 11.111% * 0.0833% (0.85 1.0 1.00 0.02 0.02) = 0.083% QB GLU- 114 - HB2 GLU- 25 11.111% * 0.0752% (0.77 1.0 1.00 0.02 0.89) = 0.075% HB ILE 19 - HB2 GLU- 25 11.111% * 0.0662% (0.68 1.0 1.00 0.02 0.02) = 0.066% HG2 PRO 68 - HB2 GLU- 25 11.111% * 0.0567% (0.58 1.0 1.00 0.02 0.02) = 0.057% HG3 GLN 30 - HB2 GLU- 25 11.111% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 148 (2.52, 2.20, 28.95 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 4.52, residual support = 118.0: * O T HG2 GLU- 25 - HB2 GLU- 25 20.000% * 99.9071% (1.00 10.0 10.00 4.53 118.07) = 99.907% kept HB3 TRP 87 - HB2 GLU- 25 20.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLN 116 - HB2 GLU- 25 20.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 95 - HB2 GLU- 25 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 GLN 116 - HB2 GLU- 25 20.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 149 (2.33, 2.20, 28.95 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 3.92, residual support = 117.8: * O T HG3 GLU- 25 - HB2 GLU- 25 14.286% * 99.7412% (1.00 10.0 10.00 3.93 118.07) = 99.741% kept HG2 PRO 52 - HB2 GLU- 25 14.286% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 GLU- 79 - HB2 GLU- 25 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% QG GLU- 114 - HB2 GLU- 25 14.286% * 0.0396% (0.40 1.0 1.00 0.02 0.89) = 0.040% HG2 MET 92 - HB2 GLU- 25 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 36 - HB2 GLU- 25 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 PRO 58 - HB2 GLU- 25 14.286% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 150 (4.18, 2.01, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 4.93, residual support = 116.4: * O T HA GLU- 25 - HB3 GLU- 25 25.000% * 98.5842% (1.00 10.0 10.00 5.00 118.07) = 98.584% kept T HA ILE 19 - HB3 GLU- 25 25.000% * 0.8786% (0.89 1.0 10.00 0.02 0.02) = 0.879% T HA SER 82 - HB3 GLU- 25 25.000% * 0.4799% (0.49 1.0 10.00 0.02 0.10) = 0.480% HA CYS 53 - HB3 GLU- 25 25.000% * 0.0574% (0.58 1.0 1.00 0.02 0.02) = 0.057% Peak 151 (2.20, 2.01, 28.95 ppm): 5 chemical-shift based assignments, quality = 0.985, support = 4.25, residual support = 93.8: * O T HB2 GLU- 25 - HB3 GLU- 25 20.000% * 79.4445% (1.00 10.0 10.00 5.24 118.07) = 79.445% kept T HB VAL 70 - HB3 GLU- 25 20.000% * 17.5997% (0.92 1.0 10.00 0.48 0.02) = 17.600% kept T QG GLN 17 - HB3 GLU- 25 20.000% * 2.9038% (0.97 1.0 10.00 0.08 0.02) = 2.904% kept HB2 MET 96 - HB3 GLU- 25 20.000% * 0.0350% (0.44 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 38 - HB3 GLU- 25 20.000% * 0.0169% (0.21 1.0 1.00 0.02 0.02) = 0.017% Peak 152 (2.01, 2.01, 28.95 ppm): 1 diagonal assignment: * HB3 GLU- 25 - HB3 GLU- 25 (1.00) kept Peak 153 (2.52, 2.01, 28.95 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 4.35, residual support = 118.0: * O T HG2 GLU- 25 - HB3 GLU- 25 20.000% * 99.9071% (1.00 10.0 10.00 4.36 118.07) = 99.907% kept HB3 TRP 87 - HB3 GLU- 25 20.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLN 116 - HB3 GLU- 25 20.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 95 - HB3 GLU- 25 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 GLN 116 - HB3 GLU- 25 20.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 154 (2.33, 2.01, 28.95 ppm): 7 chemical-shift based assignments, quality = 0.92, support = 3.35, residual support = 102.6: * O T HG3 GLU- 25 - HB3 GLU- 25 14.286% * 86.8345% (1.00 10.0 10.00 3.75 118.07) = 86.834% kept T QG GLU- 114 - HB3 GLU- 25 14.286% * 12.9746% (0.40 1.0 10.00 0.75 0.89) = 12.975% kept HG2 PRO 52 - HB3 GLU- 25 14.286% * 0.0802% (0.92 1.0 1.00 0.02 0.02) = 0.080% HB2 GLU- 79 - HB3 GLU- 25 14.286% * 0.0423% (0.49 1.0 1.00 0.02 0.02) = 0.042% HG2 MET 92 - HB3 GLU- 25 14.286% * 0.0274% (0.31 1.0 1.00 0.02 0.02) = 0.027% HG3 GLU- 36 - HB3 GLU- 25 14.286% * 0.0274% (0.31 1.0 1.00 0.02 0.02) = 0.027% HB2 PRO 58 - HB3 GLU- 25 14.286% * 0.0137% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 155 (4.18, 2.52, 37.82 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 4.29, residual support = 117.3: * O T HA GLU- 25 - HG2 GLU- 25 25.000% * 99.3699% (1.00 10.0 10.00 4.31 118.07) = 99.370% kept T HA SER 82 - HG2 GLU- 25 25.000% * 0.4837% (0.49 1.0 10.00 0.02 0.10) = 0.484% HA ILE 19 - HG2 GLU- 25 25.000% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA CYS 53 - HG2 GLU- 25 25.000% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% Peak 156 (2.20, 2.52, 37.82 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 4.52, residual support = 117.8: * O T HB2 GLU- 25 - HG2 GLU- 25 20.000% * 99.7458% (1.00 10.0 10.00 4.53 118.07) = 99.746% kept QG GLN 17 - HG2 GLU- 25 20.000% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB VAL 70 - HG2 GLU- 25 20.000% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 MET 96 - HG2 GLU- 25 20.000% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 38 - HG2 GLU- 25 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 157 (2.01, 2.52, 37.82 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 4.33, residual support = 117.4: * O T HB3 GLU- 25 - HG2 GLU- 25 11.111% * 99.4672% (1.00 10.0 10.00 4.36 118.07) = 99.467% kept QB GLU- 15 - HG2 GLU- 25 11.111% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 GLN 17 - HG2 GLU- 25 11.111% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 LYS+ 111 - HG2 GLU- 25 11.111% * 0.0850% (0.85 1.0 1.00 0.02 0.02) = 0.085% QB GLU- 114 - HG2 GLU- 25 11.111% * 0.0768% (0.77 1.0 1.00 0.02 0.89) = 0.077% HB ILE 19 - HG2 GLU- 25 11.111% * 0.0675% (0.68 1.0 1.00 0.02 0.02) = 0.068% HG2 PRO 68 - HG2 GLU- 25 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 PRO 68 - HG2 GLU- 25 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG3 GLN 30 - HG2 GLU- 25 11.111% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 158 (2.52, 2.52, 37.82 ppm): 1 diagonal assignment: * HG2 GLU- 25 - HG2 GLU- 25 (1.00) kept Peak 159 (2.33, 2.52, 37.82 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 3.3, residual support = 117.8: * O T HG3 GLU- 25 - HG2 GLU- 25 14.286% * 99.7412% (1.00 10.0 10.00 3.31 118.07) = 99.741% kept HG2 PRO 52 - HG2 GLU- 25 14.286% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 GLU- 79 - HG2 GLU- 25 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% QG GLU- 114 - HG2 GLU- 25 14.286% * 0.0396% (0.40 1.0 1.00 0.02 0.89) = 0.040% HG2 MET 92 - HG2 GLU- 25 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 36 - HG2 GLU- 25 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 PRO 58 - HG2 GLU- 25 14.286% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 160 (4.18, 2.33, 37.82 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 3.69, residual support = 117.3: * O T HA GLU- 25 - HG3 GLU- 25 25.000% * 99.3699% (1.00 10.0 10.00 3.71 118.07) = 99.370% kept T HA SER 82 - HG3 GLU- 25 25.000% * 0.4837% (0.49 1.0 10.00 0.02 0.10) = 0.484% HA ILE 19 - HG3 GLU- 25 25.000% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA CYS 53 - HG3 GLU- 25 25.000% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% Peak 161 (2.20, 2.33, 37.82 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.92, residual support = 117.8: * O T HB2 GLU- 25 - HG3 GLU- 25 20.000% * 99.7458% (1.00 10.0 10.00 3.93 118.07) = 99.746% kept QG GLN 17 - HG3 GLU- 25 20.000% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB VAL 70 - HG3 GLU- 25 20.000% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 MET 96 - HG3 GLU- 25 20.000% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 38 - HG3 GLU- 25 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 162 (2.01, 2.33, 37.82 ppm): 9 chemical-shift based assignments, quality = 0.944, support = 3.05, residual support = 90.5: * O T HB3 GLU- 25 - HG3 GLU- 25 11.111% * 76.4881% (1.00 10.0 10.00 3.75 118.07) = 76.488% kept T QB GLU- 114 - HG3 GLU- 25 11.111% * 23.1612% (0.77 1.0 10.00 0.78 0.89) = 23.161% kept HB2 GLN 17 - HG3 GLU- 25 11.111% * 0.0706% (0.92 1.0 1.00 0.02 0.02) = 0.071% QB GLU- 15 - HG3 GLU- 25 11.111% * 0.0706% (0.92 1.0 1.00 0.02 0.02) = 0.071% HB2 LYS+ 111 - HG3 GLU- 25 11.111% * 0.0654% (0.85 1.0 1.00 0.02 0.02) = 0.065% HB ILE 19 - HG3 GLU- 25 11.111% * 0.0519% (0.68 1.0 1.00 0.02 0.02) = 0.052% HG2 PRO 68 - HG3 GLU- 25 11.111% * 0.0445% (0.58 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 68 - HG3 GLU- 25 11.111% * 0.0372% (0.49 1.0 1.00 0.02 0.02) = 0.037% HG3 GLN 30 - HG3 GLU- 25 11.111% * 0.0104% (0.14 1.0 1.00 0.02 0.02) = 0.010% Peak 163 (2.52, 2.33, 37.82 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 118.0: * O T HG2 GLU- 25 - HG3 GLU- 25 20.000% * 99.9071% (1.00 10.0 10.00 3.31 118.07) = 99.907% kept HB3 TRP 87 - HG3 GLU- 25 20.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLN 116 - HG3 GLU- 25 20.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 95 - HG3 GLU- 25 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 GLN 116 - HG3 GLU- 25 20.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 164 (2.33, 2.33, 37.82 ppm): 1 diagonal assignment: * HG3 GLU- 25 - HG3 GLU- 25 (1.00) kept Peak 165 (4.15, 4.15, 66.74 ppm): 1 diagonal assignment: * HA THR 26 - HA THR 26 (1.00) kept Peak 166 (4.23, 4.15, 66.74 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 28.9: * O T HB THR 26 - HA THR 26 33.333% * 99.8385% (1.00 10.0 10.00 3.24 28.95) = 99.839% kept HA ASP- 62 - HA THR 26 33.333% * 0.0890% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 117 - HA THR 26 33.333% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% Peak 167 (1.50, 4.15, 66.74 ppm): 6 chemical-shift based assignments, quality = 0.995, support = 2.83, residual support = 27.9: * O T QG2 THR 26 - HA THR 26 16.667% * 96.4736% (1.00 10.0 10.00 2.92 28.95) = 96.474% kept HB2 LYS+ 74 - HA THR 26 16.667% * 2.2364% (0.85 1.0 1.00 0.54 0.02) = 2.236% kept HG2 LYS+ 65 - HA THR 26 16.667% * 1.1316% (0.99 1.0 1.00 0.24 0.35) = 1.132% kept HD2 LYS+ 121 - HA THR 26 16.667% * 0.0917% (0.95 1.0 1.00 0.02 0.02) = 0.092% QD LYS+ 66 - HA THR 26 16.667% * 0.0515% (0.53 1.0 1.00 0.02 0.02) = 0.052% HB3 LEU 40 - HA THR 26 16.667% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 168 (4.15, 4.23, 69.37 ppm): 7 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 28.9: * O T HA THR 26 - HB THR 26 14.286% * 99.7546% (1.00 10.0 10.00 3.24 28.95) = 99.755% kept HA GLU- 114 - HB THR 26 14.286% * 0.0770% (0.77 1.0 1.00 0.02 0.02) = 0.077% HA1 GLY 101 - HB THR 26 14.286% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA CYS 53 - HB THR 26 14.286% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA ALA 34 - HB THR 26 14.286% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA LEU 115 - HB THR 26 14.286% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA ASN 28 - HB THR 26 14.286% * 0.0184% (0.18 1.0 1.00 0.02 0.67) = 0.018% Peak 169 (4.23, 4.23, 69.37 ppm): 1 diagonal assignment: * HB THR 26 - HB THR 26 (1.00) kept Peak 170 (1.50, 4.23, 69.37 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 2.66, residual support = 26.5: * O T QG2 THR 26 - HB THR 26 16.667% * 91.3985% (1.00 10.0 10.00 2.83 28.95) = 91.399% kept HG2 LYS+ 65 - HB THR 26 16.667% * 5.1369% (0.99 1.0 1.00 1.14 0.35) = 5.137% kept HB2 LYS+ 74 - HB THR 26 16.667% * 2.4470% (0.85 1.0 1.00 0.63 0.02) = 2.447% kept QD LYS+ 66 - HB THR 26 16.667% * 0.9163% (0.53 1.0 1.00 0.38 0.02) = 0.916% HD2 LYS+ 121 - HB THR 26 16.667% * 0.0868% (0.95 1.0 1.00 0.02 0.02) = 0.087% HB3 LEU 40 - HB THR 26 16.667% * 0.0145% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 171 (4.15, 1.50, 23.02 ppm): 7 chemical-shift based assignments, quality = 0.981, support = 2.86, residual support = 28.4: * O T HA THR 26 - QG2 THR 26 14.286% * 98.1276% (1.00 10.0 10.00 2.92 28.95) = 98.128% kept T HA LEU 115 - QG2 THR 26 14.286% * 0.9704% (0.21 1.0 10.00 0.09 0.02) = 0.970% T HA GLU- 114 - QG2 THR 26 14.286% * 0.7572% (0.77 1.0 10.00 0.02 0.02) = 0.757% HA1 GLY 101 - QG2 THR 26 14.286% * 0.0571% (0.58 1.0 1.00 0.02 0.02) = 0.057% HA ALA 34 - QG2 THR 26 14.286% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA CYS 53 - QG2 THR 26 14.286% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA ASN 28 - QG2 THR 26 14.286% * 0.0181% (0.18 1.0 1.00 0.02 0.67) = 0.018% Peak 172 (4.23, 1.50, 23.02 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 2.74, residual support = 28.0: * O T HB THR 26 - QG2 THR 26 33.333% * 96.5962% (1.00 10.0 10.00 2.83 28.95) = 96.596% kept T HA SER 117 - QG2 THR 26 33.333% * 3.3177% (0.73 1.0 10.00 0.09 0.02) = 3.318% kept HA ASP- 62 - QG2 THR 26 33.333% * 0.0861% (0.89 1.0 1.00 0.02 0.02) = 0.086% Peak 173 (1.50, 1.50, 23.02 ppm): 1 diagonal assignment: * QG2 THR 26 - QG2 THR 26 (1.00) kept Peak 174 (4.49, 4.49, 60.67 ppm): 1 diagonal assignment: * HA TRP 27 - HA TRP 27 (1.00) kept Peak 175 (3.56, 4.49, 60.67 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.4, residual support = 89.3: * O T HB2 TRP 27 - HA TRP 27 33.333% * 99.8687% (1.00 10.0 10.00 4.41 89.43) = 99.869% kept HD2 PRO 93 - HA TRP 27 33.333% * 0.0999% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA THR 77 - HA TRP 27 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 176 (2.99, 4.49, 60.67 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.3, residual support = 89.2: * O T HB3 TRP 27 - HA TRP 27 20.000% * 99.7756% (1.00 10.0 10.00 4.31 89.43) = 99.776% kept HB2 PHE 97 - HA TRP 27 20.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HA TRP 27 20.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 PHE 60 - HA TRP 27 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% QE LYS+ 99 - HA TRP 27 20.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 177 (4.49, 3.56, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 89.3: * O T HA TRP 27 - HB2 TRP 27 25.000% * 99.7990% (1.00 10.0 10.00 4.41 89.43) = 99.799% kept HA ALA 91 - HB2 TRP 27 25.000% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA VAL 107 - HB2 TRP 27 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.33) = 0.072% HA PRO 52 - HB2 TRP 27 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 178 (3.56, 3.56, 30.32 ppm): 1 diagonal assignment: * HB2 TRP 27 - HB2 TRP 27 (1.00) kept Peak 179 (2.99, 3.56, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.96, residual support = 89.2: * O T HB3 TRP 27 - HB2 TRP 27 20.000% * 99.7756% (1.00 10.0 10.00 4.97 89.43) = 99.776% kept HB2 PHE 97 - HB2 TRP 27 20.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HB2 TRP 27 20.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 PHE 60 - HB2 TRP 27 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% QE LYS+ 99 - HB2 TRP 27 20.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 180 (4.49, 2.99, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.3, residual support = 89.3: * O T HA TRP 27 - HB3 TRP 27 25.000% * 99.7990% (1.00 10.0 10.00 4.31 89.43) = 99.799% kept HA ALA 91 - HB3 TRP 27 25.000% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA VAL 107 - HB3 TRP 27 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.33) = 0.072% HA PRO 52 - HB3 TRP 27 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 181 (3.56, 2.99, 30.32 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.97, residual support = 89.3: * O T HB2 TRP 27 - HB3 TRP 27 33.333% * 99.8687% (1.00 10.0 10.00 4.97 89.43) = 99.869% kept HD2 PRO 93 - HB3 TRP 27 33.333% * 0.0999% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA THR 77 - HB3 TRP 27 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 182 (2.99, 2.99, 30.32 ppm): 1 diagonal assignment: * HB3 TRP 27 - HB3 TRP 27 (1.00) kept Peak 183 (4.13, 4.13, 56.27 ppm): 1 diagonal assignment: * HA ASN 28 - HA ASN 28 (1.00) kept Peak 184 (2.93, 4.13, 56.27 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 3.74, residual support = 77.0: * O T HB2 ASN 28 - HA ASN 28 16.667% * 95.5432% (1.00 10.0 10.00 3.91 80.55) = 95.543% kept T HB2 ASN 35 - HA ASN 28 16.667% * 2.9323% (0.31 1.0 10.00 0.19 0.02) = 2.932% kept HB2 ASP- 86 - HA ASN 28 16.667% * 0.9228% (0.73 1.0 1.00 0.27 0.02) = 0.923% QE LYS+ 33 - HA ASN 28 16.667% * 0.4729% (0.97 1.0 1.00 0.10 0.02) = 0.473% QE LYS+ 65 - HA ASN 28 16.667% * 0.0908% (0.95 1.0 1.00 0.02 0.02) = 0.091% HB2 ASP- 78 - HA ASN 28 16.667% * 0.0379% (0.40 1.0 1.00 0.02 0.02) = 0.038% Peak 185 (2.73, 4.13, 56.27 ppm): 3 chemical-shift based assignments, quality = 0.988, support = 3.78, residual support = 73.2: * O T HB3 ASN 28 - HA ASN 28 33.333% * 90.4839% (1.00 10.0 10.00 3.94 80.55) = 90.484% kept HG2 GLN 30 - HA ASN 28 33.333% * 9.2981% (0.89 1.0 1.00 2.31 3.30) = 9.298% kept QE LYS+ 121 - HA ASN 28 33.333% * 0.2180% (0.31 1.0 1.00 0.15 0.02) = 0.218% Peak 186 (4.13, 2.93, 38.30 ppm): 16 chemical-shift based assignments, quality = 0.97, support = 3.81, residual support = 77.0: * O T HA ASN 28 - HB2 ASN 28 6.250% * 95.1768% (1.00 10.0 10.00 3.91 80.55) = 95.177% kept HA ALA 34 - HB2 ASN 35 6.250% * 2.8905% (0.20 1.0 1.00 3.01 13.07) = 2.890% kept HA ALA 34 - HB2 ASN 28 6.250% * 1.3336% (0.92 1.0 1.00 0.30 0.02) = 1.334% kept T HA ASN 28 - HB2 ASN 35 6.250% * 0.2080% (0.22 1.0 10.00 0.02 0.02) = 0.208% HA LEU 115 - HB2 ASN 28 6.250% * 0.0949% (1.00 1.0 1.00 0.02 1.25) = 0.095% HA1 GLY 101 - HB2 ASN 28 6.250% * 0.0691% (0.73 1.0 1.00 0.02 0.02) = 0.069% HA GLU- 114 - HB2 ASN 28 6.250% * 0.0508% (0.53 1.0 1.00 0.02 0.02) = 0.051% HA ARG+ 54 - HB2 ASN 28 6.250% * 0.0508% (0.53 1.0 1.00 0.02 0.02) = 0.051% HA ALA 124 - HB2 ASN 28 6.250% * 0.0377% (0.40 1.0 1.00 0.02 0.02) = 0.038% HA LEU 115 - HB2 ASN 35 6.250% * 0.0207% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA THR 26 - HB2 ASN 28 6.250% * 0.0175% (0.18 1.0 1.00 0.02 0.67) = 0.018% HA1 GLY 101 - HB2 ASN 35 6.250% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA ARG+ 54 - HB2 ASN 35 6.250% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA GLU- 114 - HB2 ASN 35 6.250% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA ALA 124 - HB2 ASN 35 6.250% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% HA THR 26 - HB2 ASN 35 6.250% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 187 (2.93, 2.93, 38.30 ppm): 2 diagonal assignments: * HB2 ASN 28 - HB2 ASN 28 (1.00) kept HB2 ASN 35 - HB2 ASN 35 (0.07) kept Peak 188 (2.73, 2.93, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.979, support = 4.59, residual support = 75.4: * O T HB3 ASN 28 - HB2 ASN 28 16.667% * 93.3694% (1.00 10.0 10.00 4.86 80.55) = 93.369% kept HG2 GLN 30 - HB2 ASN 28 16.667% * 4.5883% (0.89 1.0 1.00 1.10 3.30) = 4.588% kept T HB3 ASN 28 - HB2 ASN 35 16.667% * 1.9883% (0.22 1.0 10.00 0.19 0.02) = 1.988% kept QE LYS+ 121 - HB2 ASN 28 16.667% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG2 GLN 30 - HB2 ASN 35 16.667% * 0.0182% (0.19 1.0 1.00 0.02 0.02) = 0.018% QE LYS+ 121 - HB2 ASN 35 16.667% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 189 (4.13, 2.73, 38.30 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 3.92, residual support = 80.2: * O T HA ASN 28 - HB3 ASN 28 12.500% * 99.5724% (1.00 10.0 10.00 3.94 80.55) = 99.572% kept HA LEU 115 - HB3 ASN 28 12.500% * 0.0993% (1.00 1.0 1.00 0.02 1.25) = 0.099% HA ALA 34 - HB3 ASN 28 12.500% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA1 GLY 101 - HB3 ASN 28 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 114 - HB3 ASN 28 12.500% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA ARG+ 54 - HB3 ASN 28 12.500% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA ALA 124 - HB3 ASN 28 12.500% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA THR 26 - HB3 ASN 28 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.67) = 0.018% Peak 190 (2.93, 2.73, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 4.77, residual support = 79.1: * O T HB2 ASN 28 - HB3 ASN 28 16.667% * 98.2496% (1.00 10.0 10.00 4.86 80.55) = 98.250% kept HB2 ASP- 86 - HB3 ASN 28 16.667% * 0.8223% (0.73 1.0 1.00 0.23 0.02) = 0.822% QE LYS+ 33 - HB3 ASN 28 16.667% * 0.4863% (0.97 1.0 1.00 0.10 0.02) = 0.486% T HB2 ASN 35 - HB3 ASN 28 16.667% * 0.3095% (0.31 1.0 10.00 0.02 0.02) = 0.309% QE LYS+ 65 - HB3 ASN 28 16.667% * 0.0933% (0.95 1.0 1.00 0.02 0.02) = 0.093% HB2 ASP- 78 - HB3 ASN 28 16.667% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% Peak 191 (2.73, 2.73, 38.30 ppm): 1 diagonal assignment: * HB3 ASN 28 - HB3 ASN 28 (1.00) kept Peak 192 (4.00, 4.00, 59.66 ppm): 3 diagonal assignments: * HA GLU- 29 - HA GLU- 29 (0.99) kept HA LYS+ 33 - HA LYS+ 33 (0.25) kept HA GLN 32 - HA GLN 32 (0.05) kept Peak 193 (2.25, 4.00, 59.66 ppm): 30 chemical-shift based assignments, quality = 0.984, support = 4.56, residual support = 68.5: * O T HB2 GLU- 29 - HA GLU- 29 3.333% * 98.7607% (1.00 10.0 10.00 4.62 69.32) = 98.761% kept HG12 ILE 119 - HA GLU- 29 3.333% * 0.3063% (0.72 1.0 1.00 0.09 0.02) = 0.306% T HB2 GLU- 29 - HA LYS+ 33 3.333% * 0.2646% (0.27 1.0 10.00 0.02 0.12) = 0.265% T HB2 GLU- 29 - HA GLN 32 3.333% * 0.1556% (0.16 1.0 10.00 0.02 0.02) = 0.156% HG3 MET 92 - HA GLU- 29 3.333% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% T HB3 PHE 72 - HA LYS+ 33 3.333% * 0.0645% (0.07 1.0 10.00 0.02 0.02) = 0.065% HB2 ASP- 105 - HA GLU- 29 3.333% * 0.0575% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HA GLU- 29 3.333% * 0.0311% (0.31 1.0 1.00 0.02 0.02) = 0.031% QG GLN 90 - HA GLU- 29 3.333% * 0.0311% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 MET 92 - HA LYS+ 33 3.333% * 0.0257% (0.26 1.0 1.00 0.02 0.02) = 0.026% HG2 GLU- 100 - HA GLU- 29 3.333% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 72 - HA GLU- 29 3.333% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG12 ILE 119 - HA LYS+ 33 3.333% * 0.0192% (0.19 1.0 1.00 0.02 0.02) = 0.019% QG GLU- 14 - HA GLU- 29 3.333% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 44 - HA GLU- 29 3.333% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 105 - HA LYS+ 33 3.333% * 0.0154% (0.16 1.0 1.00 0.02 0.21) = 0.015% HG3 MET 92 - HA GLN 32 3.333% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% HG12 ILE 119 - HA GLN 32 3.333% * 0.0113% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 ASP- 105 - HA GLN 32 3.333% * 0.0091% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB3 ASP- 76 - HA LYS+ 33 3.333% * 0.0083% (0.08 1.0 1.00 0.02 0.02) = 0.008% QG GLN 90 - HA LYS+ 33 3.333% * 0.0083% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 GLU- 100 - HA LYS+ 33 3.333% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 ASP- 76 - HA GLN 32 3.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% QG GLN 90 - HA GLN 32 3.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% QG GLU- 14 - HA LYS+ 33 3.333% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 ASP- 44 - HA LYS+ 33 3.333% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG2 GLU- 100 - HA GLN 32 3.333% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 PHE 72 - HA GLN 32 3.333% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG GLU- 14 - HA GLN 32 3.333% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 ASP- 44 - HA GLN 32 3.333% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 194 (2.16, 4.00, 59.66 ppm): 18 chemical-shift based assignments, quality = 0.879, support = 4.14, residual support = 69.1: * O HG3 GLU- 29 - HA GLU- 29 5.556% * 57.7230% (1.00 10.0 1.00 3.46 69.32) = 57.723% kept O HB3 GLU- 29 - HA GLU- 29 5.556% * 41.9155% (0.72 10.0 1.00 5.11 69.32) = 41.916% kept T HG3 GLU- 29 - HA LYS+ 33 5.556% * 0.1546% (0.27 1.0 10.00 0.02 0.12) = 0.155% HB2 GLN 90 - HA GLU- 29 5.556% * 0.0533% (0.92 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 38 - HA GLU- 29 5.556% * 0.0364% (0.63 1.0 1.00 0.02 0.02) = 0.036% QB GLU- 36 - HA GLU- 29 5.556% * 0.0205% (0.35 1.0 1.00 0.02 0.12) = 0.020% HB3 GLU- 79 - HA GLU- 29 5.556% * 0.0160% (0.28 1.0 1.00 0.02 0.02) = 0.016% HB2 GLN 90 - HA LYS+ 33 5.556% * 0.0143% (0.25 1.0 1.00 0.02 0.02) = 0.014% HB3 GLU- 29 - HA LYS+ 33 5.556% * 0.0112% (0.19 1.0 1.00 0.02 0.12) = 0.011% HB2 LYS+ 38 - HA LYS+ 33 5.556% * 0.0098% (0.17 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 29 - HA GLN 32 5.556% * 0.0091% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB2 GLN 90 - HA GLN 32 5.556% * 0.0084% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 29 - HA GLN 32 5.556% * 0.0066% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 38 - HA GLN 32 5.556% * 0.0057% (0.10 1.0 1.00 0.02 0.02) = 0.006% QB GLU- 36 - HA LYS+ 33 5.556% * 0.0055% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 79 - HA LYS+ 33 5.556% * 0.0043% (0.07 1.0 1.00 0.02 0.32) = 0.004% QB GLU- 36 - HA GLN 32 5.556% * 0.0032% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 GLU- 79 - HA GLN 32 5.556% * 0.0025% (0.04 1.0 1.00 0.02 1.44) = 0.003% Peak 195 (2.43, 4.00, 59.66 ppm): 18 chemical-shift based assignments, quality = 0.989, support = 4.52, residual support = 68.8: * O T HG2 GLU- 29 - HA GLU- 29 5.556% * 99.2046% (1.00 10.0 10.00 4.56 69.32) = 99.205% kept T HG2 GLU- 29 - HA LYS+ 33 5.556% * 0.2658% (0.27 1.0 10.00 0.02 0.12) = 0.266% T HG2 GLU- 29 - HA GLN 32 5.556% * 0.1563% (0.16 1.0 10.00 0.02 0.02) = 0.156% HB3 ASP- 86 - HA GLU- 29 5.556% * 0.0943% (0.95 1.0 1.00 0.02 0.18) = 0.094% QE LYS+ 112 - HA GLU- 29 5.556% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PHE 45 - HA GLU- 29 5.556% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 62 - HA GLU- 29 5.556% * 0.0483% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 86 - HA LYS+ 33 5.556% * 0.0253% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB3 ASP- 86 - HA GLN 32 5.556% * 0.0148% (0.15 1.0 1.00 0.02 0.11) = 0.015% QE LYS+ 112 - HA LYS+ 33 5.556% * 0.0142% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB3 PHE 45 - HA LYS+ 33 5.556% * 0.0142% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB VAL 107 - HA GLU- 29 5.556% * 0.0134% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 ASP- 62 - HA LYS+ 33 5.556% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% QE LYS+ 112 - HA GLN 32 5.556% * 0.0083% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 PHE 45 - HA GLN 32 5.556% * 0.0083% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 ASP- 62 - HA GLN 32 5.556% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB VAL 107 - HA LYS+ 33 5.556% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB VAL 107 - HA GLN 32 5.556% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 196 (4.00, 2.25, 30.32 ppm): 10 chemical-shift based assignments, quality = 0.973, support = 4.47, residual support = 66.8: * O T HA GLU- 29 - HB2 GLU- 29 10.000% * 96.4137% (1.00 10.0 10.00 4.62 69.32) = 96.414% kept HA VAL 70 - HB2 GLU- 29 10.000% * 2.0296% (0.58 1.0 1.00 0.72 0.02) = 2.030% kept T HA LYS+ 33 - HB2 GLU- 29 10.000% * 0.8929% (0.92 1.0 10.00 0.02 0.12) = 0.893% T HA GLN 32 - HB2 GLU- 29 10.000% * 0.3047% (0.31 1.0 10.00 0.02 0.02) = 0.305% HA VAL 18 - HB2 GLU- 29 10.000% * 0.0967% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 SER 82 - HB2 GLU- 29 10.000% * 0.0955% (0.99 1.0 1.00 0.02 0.02) = 0.095% HA SER 48 - HB2 GLU- 29 10.000% * 0.0610% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA GLN 116 - HB2 GLU- 29 10.000% * 0.0563% (0.58 1.0 1.00 0.02 0.02) = 0.056% HA ALA 88 - HB2 GLU- 29 10.000% * 0.0343% (0.35 1.0 1.00 0.02 0.02) = 0.034% HD2 PRO 52 - HB2 GLU- 29 10.000% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 197 (2.25, 2.25, 30.32 ppm): 1 diagonal assignment: * HB2 GLU- 29 - HB2 GLU- 29 (1.00) kept Peak 198 (2.16, 2.25, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.884, support = 3.27, residual support = 69.2: * O T HG3 GLU- 29 - HB2 GLU- 29 16.667% * 57.8591% (1.00 10.0 10.00 2.60 69.32) = 57.859% kept O HB3 GLU- 29 - HB2 GLU- 29 16.667% * 42.0144% (0.73 10.0 1.00 4.19 69.32) = 42.014% kept HB2 GLN 90 - HB2 GLU- 29 16.667% * 0.0534% (0.92 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 38 - HB2 GLU- 29 16.667% * 0.0365% (0.63 1.0 1.00 0.02 0.02) = 0.036% QB GLU- 36 - HB2 GLU- 29 16.667% * 0.0205% (0.35 1.0 1.00 0.02 0.12) = 0.021% HB3 GLU- 79 - HB2 GLU- 29 16.667% * 0.0161% (0.28 1.0 1.00 0.02 0.02) = 0.016% Peak 199 (2.43, 2.25, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 69.1: * O T HG2 GLU- 29 - HB2 GLU- 29 16.667% * 99.7367% (1.00 10.0 10.00 4.00 69.32) = 99.737% kept HB3 ASP- 86 - HB2 GLU- 29 16.667% * 0.0948% (0.95 1.0 1.00 0.02 0.18) = 0.095% QE LYS+ 112 - HB2 GLU- 29 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PHE 45 - HB2 GLU- 29 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 62 - HB2 GLU- 29 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB VAL 107 - HB2 GLU- 29 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 204 (4.00, 2.43, 36.74 ppm): 10 chemical-shift based assignments, quality = 0.973, support = 4.41, residual support = 66.8: * O T HA GLU- 29 - HG2 GLU- 29 10.000% * 96.4132% (1.00 10.0 10.00 4.56 69.32) = 96.413% kept HA VAL 70 - HG2 GLU- 29 10.000% * 2.0301% (0.58 1.0 1.00 0.72 0.02) = 2.030% kept T HA LYS+ 33 - HG2 GLU- 29 10.000% * 0.8929% (0.92 1.0 10.00 0.02 0.12) = 0.893% T HA GLN 32 - HG2 GLU- 29 10.000% * 0.3047% (0.31 1.0 10.00 0.02 0.02) = 0.305% HA VAL 18 - HG2 GLU- 29 10.000% * 0.0967% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 SER 82 - HG2 GLU- 29 10.000% * 0.0955% (0.99 1.0 1.00 0.02 0.02) = 0.095% HA SER 48 - HG2 GLU- 29 10.000% * 0.0610% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA GLN 116 - HG2 GLU- 29 10.000% * 0.0563% (0.58 1.0 1.00 0.02 0.02) = 0.056% HA ALA 88 - HG2 GLU- 29 10.000% * 0.0343% (0.35 1.0 1.00 0.02 0.02) = 0.034% HD2 PRO 52 - HG2 GLU- 29 10.000% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 205 (2.25, 2.43, 36.74 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 3.99, residual support = 69.1: * O T HB2 GLU- 29 - HG2 GLU- 29 10.000% * 99.6274% (1.00 10.0 10.00 4.00 69.32) = 99.627% kept HG3 MET 92 - HG2 GLU- 29 10.000% * 0.0968% (0.97 1.0 1.00 0.02 0.02) = 0.097% HG12 ILE 119 - HG2 GLU- 29 10.000% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 ASP- 105 - HG2 GLU- 29 10.000% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HG2 GLU- 29 10.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% QG GLN 90 - HG2 GLU- 29 10.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 GLU- 100 - HG2 GLU- 29 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 72 - HG2 GLU- 29 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG GLU- 14 - HG2 GLU- 29 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 44 - HG2 GLU- 29 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 206 (2.16, 2.43, 36.74 ppm): 6 chemical-shift based assignments, quality = 0.882, support = 3.75, residual support = 69.1: * O T HG3 GLU- 29 - HG2 GLU- 29 16.667% * 57.7525% (1.00 10.0 10.00 3.46 69.32) = 57.752% kept O T HB3 GLU- 29 - HG2 GLU- 29 16.667% * 41.9369% (0.73 10.0 10.00 4.18 69.32) = 41.937% kept T QB GLU- 36 - HG2 GLU- 29 16.667% * 0.2048% (0.35 1.0 10.00 0.02 0.12) = 0.205% HB2 GLN 90 - HG2 GLU- 29 16.667% * 0.0533% (0.92 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 38 - HG2 GLU- 29 16.667% * 0.0364% (0.63 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 79 - HG2 GLU- 29 16.667% * 0.0161% (0.28 1.0 1.00 0.02 0.02) = 0.016% Peak 207 (2.43, 2.43, 36.74 ppm): 1 diagonal assignment: * HG2 GLU- 29 - HG2 GLU- 29 (1.00) kept Peak 208 (3.84, 3.84, 58.37 ppm): 1 diagonal assignment: * HA GLN 30 - HA GLN 30 (1.00) kept Peak 209 (2.04, 3.84, 58.37 ppm): 8 chemical-shift based assignments, quality = 0.913, support = 4.69, residual support = 134.4: * O T HB2 GLN 30 - HA GLN 30 12.500% * 54.8466% (1.00 10.0 10.00 4.48 135.03) = 54.847% kept O T HG3 GLN 30 - HA GLN 30 12.500% * 44.6896% (0.81 10.0 10.00 5.00 135.03) = 44.690% kept T HB2 PRO 93 - HA GLN 30 12.500% * 0.2418% (0.44 1.0 10.00 0.02 0.02) = 0.242% HB ILE 119 - HA GLN 30 12.500% * 0.0548% (1.00 1.0 1.00 0.02 0.78) = 0.055% HB3 GLU- 100 - HA GLN 30 12.500% * 0.0541% (0.99 1.0 1.00 0.02 0.02) = 0.054% HB VAL 108 - HA GLN 30 12.500% * 0.0489% (0.89 1.0 1.00 0.02 0.02) = 0.049% HB2 ARG+ 54 - HA GLN 30 12.500% * 0.0447% (0.81 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 68 - HA GLN 30 12.500% * 0.0194% (0.35 1.0 1.00 0.02 0.02) = 0.019% Peak 210 (1.89, 3.84, 58.37 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 4.79, residual support = 134.5: * O T HB3 GLN 30 - HA GLN 30 11.111% * 99.5760% (1.00 10.0 10.00 4.81 135.03) = 99.576% kept HB2 MET 92 - HA GLN 30 11.111% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HB3 LYS+ 38 - HA GLN 30 11.111% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 PRO 58 - HA GLN 30 11.111% * 0.0768% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB ILE 56 - HA GLN 30 11.111% * 0.0768% (0.77 1.0 1.00 0.02 0.97) = 0.077% QB LYS+ 106 - HA GLN 30 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB LYS+ 81 - HA GLN 30 11.111% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 90 - HA GLN 30 11.111% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% QB LYS+ 33 - HA GLN 30 11.111% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 211 (2.73, 3.84, 58.37 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 5.54, residual support = 127.4: * O T HG2 GLN 30 - HA GLN 30 25.000% * 94.2429% (1.00 10.0 10.00 5.82 135.03) = 94.243% kept HB3 ASN 28 - HA GLN 30 25.000% * 4.9841% (0.89 1.0 1.00 1.19 3.30) = 4.984% kept QE LYS+ 121 - HA GLN 30 25.000% * 0.7529% (0.58 1.0 1.00 0.27 3.83) = 0.753% HB3 HIS 122 - HA GLN 30 25.000% * 0.0200% (0.21 1.0 1.00 0.02 0.12) = 0.020% Peak 212 (3.84, 2.04, 28.09 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 134.7: * O T HA GLN 30 - HB2 GLN 30 16.667% * 99.7605% (1.00 10.0 10.00 4.48 135.03) = 99.761% kept HD3 PRO 52 - HB2 GLN 30 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HB2 GLN 30 16.667% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 SER 82 - HB2 GLN 30 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 13 - HB2 GLN 30 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB THR 39 - HB2 GLN 30 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 213 (2.04, 2.04, 28.09 ppm): 1 diagonal assignment: * HB2 GLN 30 - HB2 GLN 30 (1.00) kept Peak 214 (1.89, 2.04, 28.09 ppm): 9 chemical-shift based assignments, quality = 0.97, support = 4.22, residual support = 129.6: * O T HB3 GLN 30 - HB2 GLN 30 11.111% * 96.0092% (1.00 10.0 10.00 4.38 135.03) = 96.009% kept T QB LYS+ 106 - HB2 GLN 30 11.111% * 3.6087% (0.28 1.0 10.00 0.27 0.02) = 3.609% kept HB2 MET 92 - HB2 GLN 30 11.111% * 0.0912% (0.95 1.0 1.00 0.02 0.02) = 0.091% HB3 LYS+ 38 - HB2 GLN 30 11.111% * 0.0886% (0.92 1.0 1.00 0.02 0.02) = 0.089% HB3 PRO 58 - HB2 GLN 30 11.111% * 0.0741% (0.77 1.0 1.00 0.02 0.02) = 0.074% HB ILE 56 - HB2 GLN 30 11.111% * 0.0741% (0.77 1.0 1.00 0.02 0.97) = 0.074% QB LYS+ 81 - HB2 GLN 30 11.111% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 GLN 90 - HB2 GLN 30 11.111% * 0.0177% (0.18 1.0 1.00 0.02 0.02) = 0.018% QB LYS+ 33 - HB2 GLN 30 11.111% * 0.0130% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 215 (2.73, 2.04, 28.09 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.06, residual support = 127.2: * O T HG2 GLN 30 - HB2 GLN 30 25.000% * 94.0172% (1.00 10.0 10.00 5.33 135.03) = 94.017% kept HB3 ASN 28 - HB2 GLN 30 25.000% * 4.2733% (0.89 1.0 1.00 1.02 3.30) = 4.273% kept QE LYS+ 121 - HB2 GLN 30 25.000% * 1.6895% (0.58 1.0 1.00 0.62 3.83) = 1.690% kept HB3 HIS 122 - HB2 GLN 30 25.000% * 0.0200% (0.21 1.0 1.00 0.02 0.12) = 0.020% Peak 216 (3.84, 1.89, 28.09 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 4.8, residual support = 134.7: * O T HA GLN 30 - HB3 GLN 30 16.667% * 99.7605% (1.00 10.0 10.00 4.81 135.03) = 99.761% kept HD3 PRO 52 - HB3 GLN 30 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HB3 GLN 30 16.667% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 SER 82 - HB3 GLN 30 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 13 - HB3 GLN 30 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB THR 39 - HB3 GLN 30 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 217 (2.04, 1.89, 28.09 ppm): 8 chemical-shift based assignments, quality = 0.915, support = 4.6, residual support = 134.7: * O T HB2 GLN 30 - HB3 GLN 30 12.500% * 54.9662% (1.00 10.0 10.00 4.38 135.03) = 54.966% kept O HG3 GLN 30 - HB3 GLN 30 12.500% * 44.7870% (0.81 10.0 1.00 4.89 135.03) = 44.787% kept HB ILE 119 - HB3 GLN 30 12.500% * 0.0550% (1.00 1.0 1.00 0.02 0.78) = 0.055% HB3 GLU- 100 - HB3 GLN 30 12.500% * 0.0543% (0.99 1.0 1.00 0.02 0.02) = 0.054% HB VAL 108 - HB3 GLN 30 12.500% * 0.0490% (0.89 1.0 1.00 0.02 0.02) = 0.049% HB2 ARG+ 54 - HB3 GLN 30 12.500% * 0.0448% (0.81 1.0 1.00 0.02 0.02) = 0.045% HB2 PRO 93 - HB3 GLN 30 12.500% * 0.0242% (0.44 1.0 1.00 0.02 0.02) = 0.024% HB3 PRO 68 - HB3 GLN 30 12.500% * 0.0195% (0.35 1.0 1.00 0.02 0.02) = 0.019% Peak 218 (1.89, 1.89, 28.09 ppm): 1 diagonal assignment: * HB3 GLN 30 - HB3 GLN 30 (1.00) kept Peak 219 (2.73, 1.89, 28.09 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 5.38, residual support = 127.3: * O T HG2 GLN 30 - HB3 GLN 30 25.000% * 94.1542% (1.00 10.0 10.00 5.65 135.03) = 94.154% kept HB3 ASN 28 - HB3 GLN 30 25.000% * 4.5421% (0.89 1.0 1.00 1.08 3.30) = 4.542% kept QE LYS+ 121 - HB3 GLN 30 25.000% * 1.2836% (0.58 1.0 1.00 0.47 3.83) = 1.284% kept HB3 HIS 122 - HB3 GLN 30 25.000% * 0.0200% (0.21 1.0 1.00 0.02 0.12) = 0.020% Peak 220 (3.84, 2.73, 33.78 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 134.7: * O T HA GLN 30 - HG2 GLN 30 16.667% * 99.7605% (1.00 10.0 10.00 5.82 135.03) = 99.761% kept HD3 PRO 52 - HG2 GLN 30 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HG2 GLN 30 16.667% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 SER 82 - HG2 GLN 30 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 13 - HG2 GLN 30 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB THR 39 - HG2 GLN 30 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 221 (2.04, 2.73, 33.78 ppm): 8 chemical-shift based assignments, quality = 0.913, support = 5.85, residual support = 134.4: * O T HB2 GLN 30 - HG2 GLN 30 12.500% * 54.8466% (1.00 10.0 10.00 5.33 135.03) = 54.847% kept O T HG3 GLN 30 - HG2 GLN 30 12.500% * 44.6896% (0.81 10.0 10.00 6.56 135.03) = 44.690% kept T HB2 PRO 93 - HG2 GLN 30 12.500% * 0.2418% (0.44 1.0 10.00 0.02 0.02) = 0.242% HB ILE 119 - HG2 GLN 30 12.500% * 0.0548% (1.00 1.0 1.00 0.02 0.78) = 0.055% HB3 GLU- 100 - HG2 GLN 30 12.500% * 0.0541% (0.99 1.0 1.00 0.02 0.02) = 0.054% HB VAL 108 - HG2 GLN 30 12.500% * 0.0489% (0.89 1.0 1.00 0.02 0.02) = 0.049% HB2 ARG+ 54 - HG2 GLN 30 12.500% * 0.0447% (0.81 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 68 - HG2 GLN 30 12.500% * 0.0194% (0.35 1.0 1.00 0.02 0.02) = 0.019% Peak 222 (1.89, 2.73, 33.78 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 5.63, residual support = 134.5: * O T HB3 GLN 30 - HG2 GLN 30 11.111% * 99.5760% (1.00 10.0 10.00 5.65 135.03) = 99.576% kept HB2 MET 92 - HG2 GLN 30 11.111% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HB3 LYS+ 38 - HG2 GLN 30 11.111% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 PRO 58 - HG2 GLN 30 11.111% * 0.0768% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB ILE 56 - HG2 GLN 30 11.111% * 0.0768% (0.77 1.0 1.00 0.02 0.97) = 0.077% QB LYS+ 106 - HG2 GLN 30 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB LYS+ 81 - HG2 GLN 30 11.111% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 90 - HG2 GLN 30 11.111% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% QB LYS+ 33 - HG2 GLN 30 11.111% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 223 (2.73, 2.73, 33.78 ppm): 1 diagonal assignment: * HG2 GLN 30 - HG2 GLN 30 (1.00) kept Peak 224 (3.61, 3.61, 58.19 ppm): 1 diagonal assignment: * HA LEU 31 - HA LEU 31 (1.00) kept Peak 225 (1.33, 3.61, 58.19 ppm): 12 chemical-shift based assignments, quality = 0.991, support = 5.72, residual support = 179.8: * O T HB2 LEU 31 - HA LEU 31 8.333% * 94.3530% (1.00 10.0 10.00 6.00 190.40) = 94.353% kept HB3 LEU 80 - HA LEU 31 8.333% * 5.0229% (0.95 1.0 1.00 1.12 3.21) = 5.023% kept QB ALA 84 - HA LEU 31 8.333% * 0.1155% (0.28 1.0 1.00 0.09 0.02) = 0.116% HG2 LYS+ 111 - HA LEU 31 8.333% * 0.0932% (0.99 1.0 1.00 0.02 0.02) = 0.093% HB2 LEU 63 - HA LEU 31 8.333% * 0.0807% (0.85 1.0 1.00 0.02 0.02) = 0.081% HG2 LYS+ 99 - HA LEU 31 8.333% * 0.0728% (0.77 1.0 1.00 0.02 0.02) = 0.073% HB3 ASP- 44 - HA LEU 31 8.333% * 0.0685% (0.73 1.0 1.00 0.02 0.25) = 0.069% HG2 LYS+ 38 - HA LEU 31 8.333% * 0.0595% (0.63 1.0 1.00 0.02 0.02) = 0.060% QB ALA 124 - HA LEU 31 8.333% * 0.0504% (0.53 1.0 1.00 0.02 0.02) = 0.050% HG LEU 98 - HA LEU 31 8.333% * 0.0374% (0.40 1.0 1.00 0.02 0.02) = 0.037% QB ALA 88 - HA LEU 31 8.333% * 0.0230% (0.24 1.0 1.00 0.02 0.19) = 0.023% HB3 PRO 93 - HA LEU 31 8.333% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 226 (1.12, 3.61, 58.19 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 5.96, residual support = 189.1: * O T HB3 LEU 31 - HA LEU 31 16.667% * 99.3066% (1.00 10.0 10.00 6.00 190.40) = 99.307% kept HG13 ILE 119 - HA LEU 31 16.667% * 0.5496% (1.00 1.0 1.00 0.11 0.02) = 0.550% QB ALA 20 - HA LEU 31 16.667% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 112 - HA LEU 31 16.667% * 0.0438% (0.44 1.0 1.00 0.02 0.50) = 0.044% QG1 VAL 24 - HA LEU 31 16.667% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 121 - HA LEU 31 16.667% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 227 (0.79, 3.61, 58.19 ppm): 4 chemical-shift based assignments, quality = 0.733, support = 5.35, residual support = 179.3: * O T HG LEU 31 - HA LEU 31 25.000% * 94.1733% (0.73 10.0 10.00 5.64 190.40) = 94.173% kept QD1 ILE 56 - HA LEU 31 25.000% * 4.3256% (1.00 1.0 1.00 0.67 0.11) = 4.326% kept HG3 LYS+ 121 - HA LEU 31 25.000% * 1.3856% (0.44 1.0 1.00 0.48 0.02) = 1.386% kept QD2 LEU 73 - HA LEU 31 25.000% * 0.1156% (0.89 1.0 1.00 0.02 0.74) = 0.116% Peak 228 (0.00, 3.61, 58.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 190.4: * T QD1 LEU 31 - HA LEU 31 100.000% *100.0000% (1.00 10.00 4.83 190.40) = 100.000% kept Peak 229 (0.07, 3.61, 58.19 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.15, residual support = 190.2: * T QD2 LEU 31 - HA LEU 31 33.333% * 99.9055% (1.00 10.00 5.16 190.40) = 99.906% kept QG2 VAL 83 - HA LEU 31 33.333% * 0.0630% (0.63 1.00 0.02 0.02) = 0.063% QD1 ILE 89 - HA LEU 31 33.333% * 0.0315% (0.31 1.00 0.02 0.02) = 0.031% Peak 230 (3.61, 1.33, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 190.4: * O T HA LEU 31 - HB2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 6.00 190.40) = 100.000% kept Peak 231 (1.33, 1.33, 40.94 ppm): 1 diagonal assignment: * HB2 LEU 31 - HB2 LEU 31 (1.00) kept Peak 232 (1.12, 1.33, 40.94 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 5.96, residual support = 189.1: * O T HB3 LEU 31 - HB2 LEU 31 16.667% * 99.3066% (1.00 10.0 10.00 6.00 190.40) = 99.307% kept HG13 ILE 119 - HB2 LEU 31 16.667% * 0.5496% (1.00 1.0 1.00 0.11 0.02) = 0.550% QB ALA 20 - HB2 LEU 31 16.667% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 112 - HB2 LEU 31 16.667% * 0.0438% (0.44 1.0 1.00 0.02 0.50) = 0.044% QG1 VAL 24 - HB2 LEU 31 16.667% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 121 - HB2 LEU 31 16.667% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 233 (0.79, 1.33, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.733, support = 5.3, residual support = 179.5: * O T HG LEU 31 - HB2 LEU 31 25.000% * 94.2949% (0.73 10.0 10.00 5.58 190.40) = 94.295% kept QD1 ILE 56 - HB2 LEU 31 25.000% * 4.2020% (1.00 1.0 1.00 0.65 0.11) = 4.202% kept HG3 LYS+ 121 - HB2 LEU 31 25.000% * 1.3874% (0.44 1.0 1.00 0.48 0.02) = 1.387% kept QD2 LEU 73 - HB2 LEU 31 25.000% * 0.1157% (0.89 1.0 1.00 0.02 0.74) = 0.116% Peak 234 (0.00, 1.33, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.75, residual support = 190.4: * O T QD1 LEU 31 - HB2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.75 190.40) = 100.000% kept Peak 235 (0.07, 1.33, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.07, residual support = 190.2: * O T QD2 LEU 31 - HB2 LEU 31 33.333% * 99.9055% (1.00 10.0 10.00 5.08 190.40) = 99.906% kept QG2 VAL 83 - HB2 LEU 31 33.333% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% QD1 ILE 89 - HB2 LEU 31 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 236 (3.61, 1.12, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 190.4: * O T HA LEU 31 - HB3 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 6.00 190.40) = 100.000% kept Peak 237 (1.33, 1.12, 40.94 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 5.85, residual support = 185.6: * O T HB2 LEU 31 - HB3 LEU 31 8.333% * 97.4518% (1.00 10.0 10.00 6.00 190.40) = 97.452% kept HB3 LEU 80 - HB3 LEU 31 8.333% * 1.2760% (0.95 1.0 1.00 0.28 3.21) = 1.276% kept HG2 LYS+ 111 - HB3 LEU 31 8.333% * 0.8161% (0.99 1.0 1.00 0.17 0.02) = 0.816% HB2 LEU 63 - HB3 LEU 31 8.333% * 0.0833% (0.85 1.0 1.00 0.02 0.02) = 0.083% HG2 LYS+ 99 - HB3 LEU 31 8.333% * 0.0752% (0.77 1.0 1.00 0.02 0.02) = 0.075% HB3 ASP- 44 - HB3 LEU 31 8.333% * 0.0708% (0.73 1.0 1.00 0.02 0.25) = 0.071% HG2 LYS+ 38 - HB3 LEU 31 8.333% * 0.0615% (0.63 1.0 1.00 0.02 0.02) = 0.061% QB ALA 124 - HB3 LEU 31 8.333% * 0.0520% (0.53 1.0 1.00 0.02 0.02) = 0.052% HG LEU 98 - HB3 LEU 31 8.333% * 0.0387% (0.40 1.0 1.00 0.02 0.02) = 0.039% QB ALA 84 - HB3 LEU 31 8.333% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 88 - HB3 LEU 31 8.333% * 0.0238% (0.24 1.0 1.00 0.02 0.19) = 0.024% HB3 PRO 93 - HB3 LEU 31 8.333% * 0.0238% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 238 (1.12, 1.12, 40.94 ppm): 1 diagonal assignment: * HB3 LEU 31 - HB3 LEU 31 (1.00) kept Peak 239 (0.79, 1.12, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.703, support = 4.74, residual support = 158.0: * O T HG LEU 31 - HB3 LEU 31 25.000% * 82.9974% (0.73 10.0 10.00 5.61 190.40) = 82.997% kept T HG3 LYS+ 121 - HB3 LEU 31 25.000% * 12.2114% (0.44 1.0 10.00 0.48 0.02) = 12.211% kept QD1 ILE 56 - HB3 LEU 31 25.000% * 3.7725% (1.00 1.0 1.00 0.66 0.11) = 3.773% kept T QD2 LEU 73 - HB3 LEU 31 25.000% * 1.0186% (0.89 1.0 10.00 0.02 0.74) = 1.019% kept Peak 240 (0.00, 1.12, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.79, residual support = 190.4: * O T QD1 LEU 31 - HB3 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.79 190.40) = 100.000% kept Peak 241 (0.07, 1.12, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.12, residual support = 190.2: * O T QD2 LEU 31 - HB3 LEU 31 33.333% * 99.9055% (1.00 10.0 10.00 5.12 190.40) = 99.906% kept QG2 VAL 83 - HB3 LEU 31 33.333% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% QD1 ILE 89 - HB3 LEU 31 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 242 (3.61, 0.79, 27.16 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 5.64, residual support = 190.4: * O T HA LEU 31 - HG LEU 31 100.000% *100.0000% (0.73 10.0 10.00 5.64 190.40) = 100.000% kept Peak 243 (1.33, 0.79, 27.16 ppm): 12 chemical-shift based assignments, quality = 0.717, support = 5.46, residual support = 186.3: * O T HB2 LEU 31 - HG LEU 31 8.333% * 97.8225% (0.73 10.0 10.00 5.58 190.40) = 97.823% kept HB2 LEU 63 - HG LEU 31 8.333% * 1.0595% (0.62 1.0 1.00 0.25 0.02) = 1.060% kept HG2 LYS+ 111 - HG LEU 31 8.333% * 0.6508% (0.72 1.0 1.00 0.13 0.02) = 0.651% HB3 LEU 80 - HG LEU 31 8.333% * 0.0929% (0.69 1.0 1.00 0.02 3.21) = 0.093% HG2 LYS+ 99 - HG LEU 31 8.333% * 0.0755% (0.56 1.0 1.00 0.02 0.02) = 0.075% HB3 ASP- 44 - HG LEU 31 8.333% * 0.0710% (0.53 1.0 1.00 0.02 0.25) = 0.071% HG2 LYS+ 38 - HG LEU 31 8.333% * 0.0617% (0.46 1.0 1.00 0.02 0.02) = 0.062% QB ALA 124 - HG LEU 31 8.333% * 0.0522% (0.39 1.0 1.00 0.02 0.02) = 0.052% HG LEU 98 - HG LEU 31 8.333% * 0.0388% (0.29 1.0 1.00 0.02 0.02) = 0.039% QB ALA 84 - HG LEU 31 8.333% * 0.0272% (0.20 1.0 1.00 0.02 0.02) = 0.027% QB ALA 88 - HG LEU 31 8.333% * 0.0239% (0.18 1.0 1.00 0.02 0.19) = 0.024% HB3 PRO 93 - HG LEU 31 8.333% * 0.0239% (0.18 1.0 1.00 0.02 0.02) = 0.024% Peak 244 (1.12, 0.79, 27.16 ppm): 6 chemical-shift based assignments, quality = 0.715, support = 5.52, residual support = 187.4: * O T HB3 LEU 31 - HG LEU 31 16.667% * 98.4315% (0.73 10.0 10.00 5.61 190.40) = 98.432% kept HD3 LYS+ 112 - HG LEU 31 16.667% * 0.9246% (0.32 1.0 1.00 0.43 0.50) = 0.925% HG13 ILE 119 - HG LEU 31 16.667% * 0.5447% (0.72 1.0 1.00 0.11 0.02) = 0.545% QB ALA 20 - HG LEU 31 16.667% * 0.0526% (0.39 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 24 - HG LEU 31 16.667% * 0.0310% (0.23 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 121 - HG LEU 31 16.667% * 0.0156% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 245 (0.79, 0.79, 27.16 ppm): 1 diagonal assignment: * HG LEU 31 - HG LEU 31 (0.53) kept Peak 246 (0.00, 0.79, 27.16 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.58, residual support = 190.4: * O T QD1 LEU 31 - HG LEU 31 100.000% *100.0000% (0.73 10.0 10.00 4.58 190.40) = 100.000% kept Peak 247 (0.07, 0.79, 27.16 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 4.9, residual support = 190.2: * O T QD2 LEU 31 - HG LEU 31 33.333% * 99.9055% (0.73 10.0 10.00 4.90 190.40) = 99.906% kept QG2 VAL 83 - HG LEU 31 33.333% * 0.0630% (0.46 1.0 1.00 0.02 0.02) = 0.063% QD1 ILE 89 - HG LEU 31 33.333% * 0.0315% (0.23 1.0 1.00 0.02 0.02) = 0.031% Peak 248 (3.61, 0.00, 23.44 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 190.4: * T HA LEU 31 - QD1 LEU 31 100.000% *100.0000% (1.00 10.00 4.83 190.40) = 100.000% kept Peak 249 (1.33, 0.00, 23.44 ppm): 12 chemical-shift based assignments, quality = 0.984, support = 4.67, residual support = 186.7: * O T HB2 LEU 31 - QD1 LEU 31 8.333% * 98.0624% (1.00 10.0 10.00 4.75 190.40) = 98.062% kept QB ALA 88 - QD1 LEU 31 8.333% * 1.3126% (0.24 1.0 1.00 1.10 0.19) = 1.313% kept HG2 LYS+ 111 - QD1 LEU 31 8.333% * 0.0968% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 80 - QD1 LEU 31 8.333% * 0.0932% (0.95 1.0 1.00 0.02 3.21) = 0.093% HB2 LEU 63 - QD1 LEU 31 8.333% * 0.0838% (0.85 1.0 1.00 0.02 0.02) = 0.084% HG2 LYS+ 99 - QD1 LEU 31 8.333% * 0.0757% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 ASP- 44 - QD1 LEU 31 8.333% * 0.0712% (0.73 1.0 1.00 0.02 0.25) = 0.071% HG2 LYS+ 38 - QD1 LEU 31 8.333% * 0.0619% (0.63 1.0 1.00 0.02 0.02) = 0.062% QB ALA 124 - QD1 LEU 31 8.333% * 0.0524% (0.53 1.0 1.00 0.02 0.02) = 0.052% HG LEU 98 - QD1 LEU 31 8.333% * 0.0389% (0.40 1.0 1.00 0.02 0.02) = 0.039% QB ALA 84 - QD1 LEU 31 8.333% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 93 - QD1 LEU 31 8.333% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 250 (1.12, 0.00, 23.44 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 4.76, residual support = 189.1: * O T HB3 LEU 31 - QD1 LEU 31 16.667% * 99.3066% (1.00 10.0 10.00 4.79 190.40) = 99.307% kept HG13 ILE 119 - QD1 LEU 31 16.667% * 0.5496% (1.00 1.0 1.00 0.11 0.02) = 0.550% QB ALA 20 - QD1 LEU 31 16.667% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 112 - QD1 LEU 31 16.667% * 0.0438% (0.44 1.0 1.00 0.02 0.50) = 0.044% QG1 VAL 24 - QD1 LEU 31 16.667% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 121 - QD1 LEU 31 16.667% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 251 (0.79, 0.00, 23.44 ppm): 4 chemical-shift based assignments, quality = 0.737, support = 4.3, residual support = 176.3: * O T HG LEU 31 - QD1 LEU 31 25.000% * 92.5912% (0.73 10.0 10.00 4.58 190.40) = 92.591% kept QD1 ILE 56 - QD1 LEU 31 25.000% * 5.9329% (1.00 1.0 1.00 0.93 0.11) = 5.933% kept HG3 LYS+ 121 - QD1 LEU 31 25.000% * 1.3623% (0.44 1.0 1.00 0.48 0.02) = 1.362% kept QD2 LEU 73 - QD1 LEU 31 25.000% * 0.1136% (0.89 1.0 1.00 0.02 0.74) = 0.114% Peak 252 (0.00, 0.00, 23.44 ppm): 1 diagonal assignment: * QD1 LEU 31 - QD1 LEU 31 (1.00) kept Peak 253 (0.07, 0.00, 23.44 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.31, residual support = 190.2: * O T QD2 LEU 31 - QD1 LEU 31 33.333% * 99.9055% (1.00 10.0 10.00 4.31 190.40) = 99.906% kept QG2 VAL 83 - QD1 LEU 31 33.333% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% QD1 ILE 89 - QD1 LEU 31 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 254 (3.61, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.16, residual support = 190.4: * T HA LEU 31 - QD2 LEU 31 100.000% *100.0000% (1.00 10.00 5.16 190.40) = 100.000% kept Peak 255 (1.33, 0.07, 21.81 ppm): 12 chemical-shift based assignments, quality = 0.956, support = 4.7, residual support = 173.2: * O T HB2 LEU 31 - QD2 LEU 31 8.333% * 90.9447% (1.00 10.0 10.00 5.08 190.40) = 90.945% kept HB3 ASP- 44 - QD2 LEU 31 8.333% * 5.0367% (0.73 1.0 1.00 1.53 0.25) = 5.037% kept T QB ALA 84 - QD2 LEU 31 8.333% * 3.5081% (0.28 1.0 10.00 0.28 0.02) = 3.508% kept HG2 LYS+ 111 - QD2 LEU 31 8.333% * 0.0898% (0.99 1.0 1.00 0.02 0.02) = 0.090% HB3 LEU 80 - QD2 LEU 31 8.333% * 0.0864% (0.95 1.0 1.00 0.02 3.21) = 0.086% HB2 LEU 63 - QD2 LEU 31 8.333% * 0.0777% (0.85 1.0 1.00 0.02 0.02) = 0.078% HG2 LYS+ 99 - QD2 LEU 31 8.333% * 0.0702% (0.77 1.0 1.00 0.02 0.02) = 0.070% HG2 LYS+ 38 - QD2 LEU 31 8.333% * 0.0574% (0.63 1.0 1.00 0.02 0.02) = 0.057% QB ALA 124 - QD2 LEU 31 8.333% * 0.0486% (0.53 1.0 1.00 0.02 0.02) = 0.049% HG LEU 98 - QD2 LEU 31 8.333% * 0.0361% (0.40 1.0 1.00 0.02 0.02) = 0.036% QB ALA 88 - QD2 LEU 31 8.333% * 0.0222% (0.24 1.0 1.00 0.02 0.19) = 0.022% HB3 PRO 93 - QD2 LEU 31 8.333% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% Peak 256 (1.12, 0.07, 21.81 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 5.08, residual support = 189.1: * O T HB3 LEU 31 - QD2 LEU 31 16.667% * 99.3066% (1.00 10.0 10.00 5.12 190.40) = 99.307% kept HG13 ILE 119 - QD2 LEU 31 16.667% * 0.5496% (1.00 1.0 1.00 0.11 0.02) = 0.550% QB ALA 20 - QD2 LEU 31 16.667% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 112 - QD2 LEU 31 16.667% * 0.0438% (0.44 1.0 1.00 0.02 0.50) = 0.044% QG1 VAL 24 - QD2 LEU 31 16.667% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 121 - QD2 LEU 31 16.667% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 257 (0.79, 0.07, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.736, support = 4.56, residual support = 175.5: * O T HG LEU 31 - QD2 LEU 31 25.000% * 92.1418% (0.73 10.0 10.00 4.90 190.40) = 92.142% kept QD2 LEU 73 - QD2 LEU 31 25.000% * 4.0381% (0.89 1.0 1.00 0.71 0.74) = 4.038% kept QD1 ILE 56 - QD2 LEU 31 25.000% * 2.4645% (1.00 1.0 1.00 0.39 0.11) = 2.464% kept HG3 LYS+ 121 - QD2 LEU 31 25.000% * 1.3557% (0.44 1.0 1.00 0.48 0.02) = 1.356% kept Peak 258 (0.00, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.31, residual support = 190.4: * O T QD1 LEU 31 - QD2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.31 190.40) = 100.000% kept Peak 259 (0.07, 0.07, 21.81 ppm): 1 diagonal assignment: * QD2 LEU 31 - QD2 LEU 31 (1.00) kept Peak 260 (4.00, 4.00, 59.42 ppm): 3 diagonal assignments: HA LYS+ 33 - HA LYS+ 33 (0.43) kept HA GLU- 29 - HA GLU- 29 (0.36) kept * HA GLN 32 - HA GLN 32 (0.34) kept Peak 261 (2.11, 4.00, 59.42 ppm): 12 chemical-shift based assignments, quality = 0.598, support = 3.52, residual support = 25.1: T QB GLN 32 - HA LYS+ 33 8.333% * 49.9845% (0.63 1.0 10.00 4.03 16.64) = 49.984% kept * O T QB GLN 32 - HA GLN 32 8.333% * 46.3455% (0.58 10.0 10.00 3.24 36.13) = 46.346% kept T QB GLN 32 - HA GLU- 29 8.333% * 3.3307% (0.43 1.0 10.00 0.20 0.02) = 3.331% kept HB VAL 24 - HA LYS+ 33 8.333% * 0.0493% (0.62 1.0 1.00 0.02 0.02) = 0.049% HB VAL 24 - HA GLN 32 8.333% * 0.0458% (0.57 1.0 1.00 0.02 0.02) = 0.046% HB2 PRO 68 - HA LYS+ 33 8.333% * 0.0445% (0.56 1.0 1.00 0.02 0.02) = 0.045% HB2 PRO 68 - HA GLN 32 8.333% * 0.0413% (0.52 1.0 1.00 0.02 0.02) = 0.041% HG3 GLU- 100 - HA LYS+ 33 8.333% * 0.0363% (0.46 1.0 1.00 0.02 0.02) = 0.036% HG3 GLU- 100 - HA GLN 32 8.333% * 0.0337% (0.42 1.0 1.00 0.02 0.02) = 0.034% HB VAL 24 - HA GLU- 29 8.333% * 0.0335% (0.42 1.0 1.00 0.02 0.02) = 0.033% HB2 PRO 68 - HA GLU- 29 8.333% * 0.0302% (0.38 1.0 1.00 0.02 0.02) = 0.030% HG3 GLU- 100 - HA GLU- 29 8.333% * 0.0246% (0.31 1.0 1.00 0.02 0.02) = 0.025% Peak 262 (2.39, 4.00, 59.42 ppm): 12 chemical-shift based assignments, quality = 0.595, support = 3.37, residual support = 24.2: T QG GLN 32 - HA LYS+ 33 8.333% * 48.3057% (0.63 1.0 10.00 4.00 16.64) = 48.306% kept * O T QG GLN 32 - HA GLN 32 8.333% * 44.7890% (0.58 10.0 10.00 3.14 36.13) = 44.789% kept T QG GLN 32 - HA GLU- 29 8.333% * 3.2189% (0.43 1.0 10.00 0.20 0.02) = 3.219% kept QG GLU- 79 - HA LYS+ 33 8.333% * 1.8355% (0.51 1.0 1.00 0.93 0.32) = 1.835% kept QG GLU- 79 - HA GLN 32 8.333% * 1.5637% (0.47 1.0 1.00 0.86 1.44) = 1.564% kept T HB2 GLU- 100 - HA LYS+ 33 8.333% * 0.0765% (0.10 1.0 10.00 0.02 0.02) = 0.076% T HB2 GLU- 100 - HA GLN 32 8.333% * 0.0709% (0.09 1.0 10.00 0.02 0.02) = 0.071% T HB2 GLU- 100 - HA GLU- 29 8.333% * 0.0519% (0.07 1.0 10.00 0.02 0.02) = 0.052% QG GLU- 79 - HA GLU- 29 8.333% * 0.0267% (0.35 1.0 1.00 0.02 0.02) = 0.027% HB VAL 107 - HA LYS+ 33 8.333% * 0.0235% (0.31 1.0 1.00 0.02 0.02) = 0.024% HB VAL 107 - HA GLN 32 8.333% * 0.0218% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB VAL 107 - HA GLU- 29 8.333% * 0.0160% (0.21 1.0 1.00 0.02 0.02) = 0.016% Peak 263 (4.00, 2.11, 27.95 ppm): 10 chemical-shift based assignments, quality = 0.646, support = 3.44, residual support = 24.0: T HA LYS+ 33 - QB GLN 32 10.000% * 50.3103% (0.68 1.0 10.00 4.03 16.64) = 50.310% kept * O T HA GLN 32 - QB GLN 32 10.000% * 43.1469% (0.58 10.0 10.00 3.24 36.13) = 43.147% kept T HA GLU- 29 - QB GLN 32 10.000% * 6.2207% (0.85 1.0 10.00 0.20 0.02) = 6.221% kept HB2 SER 82 - QB GLN 32 10.000% * 0.0704% (0.95 1.0 1.00 0.02 0.02) = 0.070% HA SER 48 - QB GLN 32 10.000% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HA VAL 18 - QB GLN 32 10.000% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HA ALA 88 - QB GLN 32 10.000% * 0.0467% (0.63 1.0 1.00 0.02 0.02) = 0.047% HD2 PRO 52 - QB GLN 32 10.000% * 0.0263% (0.35 1.0 1.00 0.02 0.02) = 0.026% HA GLN 116 - QB GLN 32 10.000% * 0.0233% (0.31 1.0 1.00 0.02 0.02) = 0.023% HA VAL 70 - QB GLN 32 10.000% * 0.0233% (0.31 1.0 1.00 0.02 0.02) = 0.023% Peak 264 (2.11, 2.11, 27.95 ppm): 1 diagonal assignment: * QB GLN 32 - QB GLN 32 (1.00) kept Peak 265 (2.39, 2.11, 27.95 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 2.79, residual support = 34.7: * O T QG GLN 32 - QB GLN 32 25.000% * 95.7984% (1.00 10.0 10.00 2.88 36.13) = 95.798% kept QG GLU- 79 - QB GLN 32 25.000% * 3.6228% (0.81 1.0 1.00 0.93 1.44) = 3.623% kept HB VAL 107 - QB GLN 32 25.000% * 0.5637% (0.49 1.0 1.00 0.24 0.02) = 0.564% HB2 GLU- 100 - QB GLN 32 25.000% * 0.0152% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 266 (4.00, 2.39, 33.78 ppm): 10 chemical-shift based assignments, quality = 0.646, support = 3.38, residual support = 24.0: T HA LYS+ 33 - QG GLN 32 10.000% * 50.3103% (0.68 1.0 10.00 4.00 16.64) = 50.310% kept * O T HA GLN 32 - QG GLN 32 10.000% * 43.1469% (0.58 10.0 10.00 3.14 36.13) = 43.147% kept T HA GLU- 29 - QG GLN 32 10.000% * 6.2207% (0.85 1.0 10.00 0.20 0.02) = 6.221% kept HB2 SER 82 - QG GLN 32 10.000% * 0.0704% (0.95 1.0 1.00 0.02 0.02) = 0.070% HA SER 48 - QG GLN 32 10.000% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HA VAL 18 - QG GLN 32 10.000% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HA ALA 88 - QG GLN 32 10.000% * 0.0467% (0.63 1.0 1.00 0.02 0.02) = 0.047% HD2 PRO 52 - QG GLN 32 10.000% * 0.0263% (0.35 1.0 1.00 0.02 0.02) = 0.026% HA GLN 116 - QG GLN 32 10.000% * 0.0233% (0.31 1.0 1.00 0.02 0.02) = 0.023% HA VAL 70 - QG GLN 32 10.000% * 0.0233% (0.31 1.0 1.00 0.02 0.02) = 0.023% Peak 267 (2.11, 2.39, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 2.87, residual support = 36.0: * O T QB GLN 32 - QG GLN 32 25.000% * 99.7402% (1.00 10.0 10.00 2.88 36.13) = 99.740% kept HB VAL 24 - QG GLN 32 25.000% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 PRO 68 - QG GLN 32 25.000% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% HG3 GLU- 100 - QG GLN 32 25.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% Peak 268 (2.39, 2.39, 33.78 ppm): 1 diagonal assignment: * QG GLN 32 - QG GLN 32 (1.00) kept Peak 269 (4.01, 4.01, 59.34 ppm): 3 diagonal assignments: * HA LYS+ 33 - HA LYS+ 33 (1.00) kept HA GLU- 29 - HA GLU- 29 (0.26) kept HA GLN 32 - HA GLN 32 (0.02) kept Peak 270 (1.86, 4.01, 59.34 ppm): 33 chemical-shift based assignments, quality = 0.832, support = 5.45, residual support = 93.5: * O T QB LYS+ 33 - HA LYS+ 33 3.030% * 79.1417% (1.00 10.0 10.00 6.16 115.75) = 79.142% kept T QB LYS+ 33 - HA GLN 32 3.030% * 11.5887% (0.15 1.0 10.00 4.42 16.64) = 11.589% kept T QB LYS+ 33 - HA GLU- 29 3.030% * 8.4315% (0.27 1.0 10.00 0.78 0.12) = 8.432% kept HB3 GLN 90 - HA LYS+ 33 3.030% * 0.0781% (0.99 1.0 1.00 0.02 0.02) = 0.078% HB3 ASP- 105 - HA LYS+ 33 3.030% * 0.0769% (0.97 1.0 1.00 0.02 0.21) = 0.077% HG2 ARG+ 54 - HA LYS+ 33 3.030% * 0.0752% (0.95 1.0 1.00 0.02 0.33) = 0.075% QB LYS+ 81 - HA LYS+ 33 3.030% * 0.0752% (0.95 1.0 1.00 0.02 5.24) = 0.075% QB LYS+ 106 - HA LYS+ 33 3.030% * 0.0731% (0.92 1.0 1.00 0.02 0.02) = 0.073% HB ILE 103 - HA LYS+ 33 3.030% * 0.0731% (0.92 1.0 1.00 0.02 0.02) = 0.073% HG3 PRO 68 - HA LYS+ 33 3.030% * 0.0705% (0.89 1.0 1.00 0.02 0.02) = 0.071% HB ILE 56 - HA LYS+ 33 3.030% * 0.0349% (0.44 1.0 1.00 0.02 0.02) = 0.035% HB3 LYS+ 38 - HA LYS+ 33 3.030% * 0.0220% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 GLN 90 - HA GLU- 29 3.030% * 0.0215% (0.27 1.0 1.00 0.02 0.02) = 0.021% HB3 ASP- 105 - HA GLU- 29 3.030% * 0.0211% (0.27 1.0 1.00 0.02 0.02) = 0.021% QB LYS+ 81 - HA GLU- 29 3.030% * 0.0207% (0.26 1.0 1.00 0.02 0.02) = 0.021% HG2 ARG+ 54 - HA GLU- 29 3.030% * 0.0207% (0.26 1.0 1.00 0.02 0.02) = 0.021% QB LYS+ 106 - HA GLU- 29 3.030% * 0.0201% (0.25 1.0 1.00 0.02 0.02) = 0.020% HB ILE 103 - HA GLU- 29 3.030% * 0.0201% (0.25 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 68 - HA GLU- 29 3.030% * 0.0194% (0.24 1.0 1.00 0.02 0.02) = 0.019% HB3 GLN 90 - HA GLN 32 3.030% * 0.0114% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 ASP- 105 - HA GLN 32 3.030% * 0.0113% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG2 ARG+ 54 - HA GLN 32 3.030% * 0.0110% (0.14 1.0 1.00 0.02 0.02) = 0.011% QB LYS+ 81 - HA GLN 32 3.030% * 0.0110% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 GLN 30 - HA LYS+ 33 3.030% * 0.0107% (0.14 1.0 1.00 0.02 0.02) = 0.011% QB LYS+ 106 - HA GLN 32 3.030% * 0.0107% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB ILE 103 - HA GLN 32 3.030% * 0.0107% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 68 - HA GLN 32 3.030% * 0.0103% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB ILE 56 - HA GLU- 29 3.030% * 0.0096% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 38 - HA GLU- 29 3.030% * 0.0060% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB ILE 56 - HA GLN 32 3.030% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 38 - HA GLN 32 3.030% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 GLN 30 - HA GLU- 29 3.030% * 0.0029% (0.04 1.0 1.00 0.02 22.38) = 0.003% HB3 GLN 30 - HA GLN 32 3.030% * 0.0016% (0.02 1.0 1.00 0.02 0.87) = 0.002% Peak 272 (1.38, 4.01, 59.34 ppm): 36 chemical-shift based assignments, quality = 0.837, support = 4.29, residual support = 82.6: * O T HG3 LYS+ 33 - HA LYS+ 33 2.778% * 69.7772% (1.00 10.0 10.00 5.48 115.75) = 69.777% kept T HG3 LYS+ 65 - HA LYS+ 33 2.778% * 10.5752% (0.99 1.0 10.00 0.31 1.01) = 10.575% kept T HG3 LYS+ 33 - HA GLN 32 2.778% * 10.2174% (0.15 1.0 10.00 3.70 16.64) = 10.217% kept T HG3 LYS+ 33 - HA GLU- 29 2.778% * 7.0736% (0.27 1.0 10.00 0.74 0.12) = 7.074% kept T HG3 LYS+ 102 - HA LYS+ 33 2.778% * 0.6441% (0.92 1.0 10.00 0.02 0.02) = 0.644% T HG3 LYS+ 106 - HA LYS+ 33 2.778% * 0.5067% (0.73 1.0 10.00 0.02 0.02) = 0.507% T HG3 LYS+ 65 - HA GLU- 29 2.778% * 0.1893% (0.27 1.0 10.00 0.02 0.02) = 0.189% T HG3 LYS+ 102 - HA GLU- 29 2.778% * 0.1770% (0.25 1.0 10.00 0.02 0.02) = 0.177% T HG3 LYS+ 106 - HA GLU- 29 2.778% * 0.1393% (0.20 1.0 10.00 0.02 0.02) = 0.139% T HG3 LYS+ 65 - HA GLN 32 2.778% * 0.1009% (0.14 1.0 10.00 0.02 0.02) = 0.101% T HG3 LYS+ 102 - HA GLN 32 2.778% * 0.0943% (0.14 1.0 10.00 0.02 0.02) = 0.094% T HG3 LYS+ 106 - HA GLN 32 2.778% * 0.0742% (0.11 1.0 10.00 0.02 0.02) = 0.074% HB VAL 42 - HA LYS+ 33 2.778% * 0.0689% (0.99 1.0 1.00 0.02 0.02) = 0.069% HB3 LEU 73 - HA LYS+ 33 2.778% * 0.0663% (0.95 1.0 1.00 0.02 0.02) = 0.066% HB2 LYS+ 112 - HA LYS+ 33 2.778% * 0.0597% (0.85 1.0 1.00 0.02 0.02) = 0.060% QB ALA 12 - HA LYS+ 33 2.778% * 0.0507% (0.73 1.0 1.00 0.02 0.02) = 0.051% QB LEU 98 - HA LYS+ 33 2.778% * 0.0277% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB VAL 42 - HA GLU- 29 2.778% * 0.0189% (0.27 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 73 - HA GLU- 29 2.778% * 0.0182% (0.26 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 112 - HA GLU- 29 2.778% * 0.0164% (0.23 1.0 1.00 0.02 0.02) = 0.016% QB ALA 12 - HA GLU- 29 2.778% * 0.0139% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB3 LYS+ 74 - HA LYS+ 33 2.778% * 0.0110% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB VAL 42 - HA GLN 32 2.778% * 0.0101% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 73 - HA GLN 32 2.778% * 0.0097% (0.14 1.0 1.00 0.02 0.02) = 0.010% HD3 LYS+ 121 - HA LYS+ 33 2.778% * 0.0094% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 PRO 93 - HA LYS+ 33 2.778% * 0.0094% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 112 - HA GLN 32 2.778% * 0.0087% (0.13 1.0 1.00 0.02 0.02) = 0.009% QB LEU 98 - HA GLU- 29 2.778% * 0.0076% (0.11 1.0 1.00 0.02 0.02) = 0.008% QB ALA 12 - HA GLN 32 2.778% * 0.0074% (0.11 1.0 1.00 0.02 0.02) = 0.007% QB LEU 98 - HA GLN 32 2.778% * 0.0041% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 74 - HA GLU- 29 2.778% * 0.0030% (0.04 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 121 - HA GLU- 29 2.778% * 0.0026% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 93 - HA GLU- 29 2.778% * 0.0026% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 LYS+ 74 - HA GLN 32 2.778% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 93 - HA GLN 32 2.778% * 0.0014% (0.02 1.0 1.00 0.02 0.02) = 0.001% HD3 LYS+ 121 - HA GLN 32 2.778% * 0.0014% (0.02 1.0 1.00 0.02 0.02) = 0.001% Peak 273 (1.63, 4.01, 59.34 ppm): 15 chemical-shift based assignments, quality = 0.84, support = 4.19, residual support = 95.1: * T QD LYS+ 33 - HA LYS+ 33 6.667% * 80.4501% (1.00 10.00 4.71 115.75) = 80.450% kept T QD LYS+ 33 - HA GLN 32 6.667% * 11.7803% (0.15 10.00 3.07 16.64) = 11.780% kept T QD LYS+ 33 - HA GLU- 29 6.667% * 6.5342% (0.27 10.00 0.59 0.12) = 6.534% kept T HD3 LYS+ 111 - HA LYS+ 33 6.667% * 0.6877% (0.85 10.00 0.02 0.02) = 0.688% T HD3 LYS+ 111 - HA GLU- 29 6.667% * 0.1890% (0.23 10.00 0.02 0.02) = 0.189% T HD3 LYS+ 111 - HA GLN 32 6.667% * 0.1007% (0.13 10.00 0.02 0.02) = 0.101% HB3 LEU 123 - HA LYS+ 33 6.667% * 0.0805% (1.00 1.00 0.02 0.02) = 0.080% QB ALA 57 - HA LYS+ 33 6.667% * 0.0656% (0.81 1.00 0.02 0.02) = 0.066% HD2 LYS+ 74 - HA LYS+ 33 6.667% * 0.0355% (0.44 1.00 0.02 0.02) = 0.035% HB3 LEU 123 - HA GLU- 29 6.667% * 0.0221% (0.27 1.00 0.02 0.02) = 0.022% QB ALA 57 - HA GLU- 29 6.667% * 0.0180% (0.22 1.00 0.02 0.02) = 0.018% HB3 LEU 123 - HA GLN 32 6.667% * 0.0118% (0.15 1.00 0.02 0.02) = 0.012% HD2 LYS+ 74 - HA GLU- 29 6.667% * 0.0097% (0.12 1.00 0.02 0.02) = 0.010% QB ALA 57 - HA GLN 32 6.667% * 0.0096% (0.12 1.00 0.02 0.02) = 0.010% HD2 LYS+ 74 - HA GLN 32 6.667% * 0.0052% (0.06 1.00 0.02 0.02) = 0.005% Peak 274 (2.92, 4.01, 59.34 ppm): 18 chemical-shift based assignments, quality = 0.746, support = 4.15, residual support = 70.8: * T QE LYS+ 33 - HA LYS+ 33 5.556% * 57.4868% (1.00 10.00 5.21 115.75) = 57.487% kept T HB2 ASN 28 - HA GLU- 29 5.556% * 15.3520% (0.27 10.00 4.91 17.39) = 15.352% kept T QE LYS+ 65 - HA LYS+ 33 5.556% * 12.7126% (0.85 10.00 0.52 1.01) = 12.713% kept T QE LYS+ 33 - HA GLN 32 5.556% * 8.4178% (0.15 10.00 3.35 16.64) = 8.418% kept T QE LYS+ 33 - HA GLU- 29 5.556% * 2.9321% (0.27 10.00 0.37 0.12) = 2.932% kept T HB2 ASN 35 - HA GLU- 29 5.556% * 2.6328% (0.06 10.00 1.57 2.14) = 2.633% kept T QE LYS+ 65 - HA GLU- 29 5.556% * 0.1351% (0.23 10.00 0.02 0.02) = 0.135% T HB2 ASN 28 - HA GLN 32 5.556% * 0.0818% (0.14 10.00 0.02 0.02) = 0.082% T QE LYS+ 65 - HA GLN 32 5.556% * 0.0720% (0.13 10.00 0.02 0.02) = 0.072% HB2 ASN 28 - HA LYS+ 33 5.556% * 0.0559% (0.97 1.00 0.02 0.02) = 0.056% HB2 ASP- 86 - HA LYS+ 33 5.556% * 0.0335% (0.58 1.00 0.02 0.02) = 0.033% HB2 ASP- 78 - HA LYS+ 33 5.556% * 0.0307% (0.53 1.00 0.02 0.14) = 0.031% T HB2 ASN 35 - HA GLN 32 5.556% * 0.0179% (0.03 10.00 0.02 0.02) = 0.018% HB2 ASN 35 - HA LYS+ 33 5.556% * 0.0122% (0.21 1.00 0.02 1.15) = 0.012% HB2 ASP- 86 - HA GLU- 29 5.556% * 0.0092% (0.16 1.00 0.02 0.18) = 0.009% HB2 ASP- 78 - HA GLU- 29 5.556% * 0.0084% (0.15 1.00 0.02 0.02) = 0.008% HB2 ASP- 86 - HA GLN 32 5.556% * 0.0049% (0.09 1.00 0.02 0.11) = 0.005% HB2 ASP- 78 - HA GLN 32 5.556% * 0.0045% (0.08 1.00 0.02 0.02) = 0.004% Peak 275 (4.01, 1.86, 32.27 ppm): 9 chemical-shift based assignments, quality = 0.898, support = 4.57, residual support = 75.4: * O T HA LYS+ 33 - QB LYS+ 33 11.111% * 63.6443% (1.00 10.0 10.00 6.16 115.75) = 63.644% kept T HA GLU- 29 - QB LYS+ 33 11.111% * 23.4381% (0.95 1.0 10.00 0.78 0.12) = 23.438% kept T HA GLN 32 - QB LYS+ 33 11.111% * 10.0755% (0.16 1.0 10.00 4.42 16.64) = 10.076% kept HB2 SER 82 - QB LYS+ 33 11.111% * 2.6427% (0.85 1.0 1.00 0.97 0.56) = 2.643% kept HA VAL 18 - QB LYS+ 33 11.111% * 0.0588% (0.92 1.0 1.00 0.02 0.02) = 0.059% HA VAL 70 - QB LYS+ 33 11.111% * 0.0519% (0.81 1.0 1.00 0.02 0.02) = 0.052% HA GLN 116 - QB LYS+ 33 11.111% * 0.0519% (0.81 1.0 1.00 0.02 0.02) = 0.052% HA SER 48 - QB LYS+ 33 11.111% * 0.0252% (0.40 1.0 1.00 0.02 0.02) = 0.025% HA ALA 88 - QB LYS+ 33 11.111% * 0.0117% (0.18 1.0 1.00 0.02 0.02) = 0.012% Peak 276 (1.86, 1.86, 32.27 ppm): 1 diagonal assignment: * QB LYS+ 33 - QB LYS+ 33 (1.00) kept Peak 278 (1.38, 1.86, 32.27 ppm): 12 chemical-shift based assignments, quality = 0.978, support = 4.62, residual support = 94.7: * O T HG3 LYS+ 33 - QB LYS+ 33 8.333% * 81.7017% (1.00 10.0 10.00 5.57 115.75) = 81.702% kept T HG3 LYS+ 65 - QB LYS+ 33 8.333% * 16.3043% (0.99 1.0 10.00 0.40 1.01) = 16.304% kept T HG3 LYS+ 102 - QB LYS+ 33 8.333% * 0.7542% (0.92 1.0 10.00 0.02 0.02) = 0.754% T HG3 LYS+ 106 - QB LYS+ 33 8.333% * 0.5933% (0.73 1.0 10.00 0.02 0.02) = 0.593% T QB LEU 98 - QB LYS+ 33 8.333% * 0.3240% (0.40 1.0 10.00 0.02 0.02) = 0.324% HB VAL 42 - QB LYS+ 33 8.333% * 0.0807% (0.99 1.0 1.00 0.02 0.02) = 0.081% HB3 LEU 73 - QB LYS+ 33 8.333% * 0.0776% (0.95 1.0 1.00 0.02 0.02) = 0.078% HB2 LYS+ 112 - QB LYS+ 33 8.333% * 0.0698% (0.85 1.0 1.00 0.02 0.02) = 0.070% QB ALA 12 - QB LYS+ 33 8.333% * 0.0593% (0.73 1.0 1.00 0.02 0.02) = 0.059% HB3 LYS+ 74 - QB LYS+ 33 8.333% * 0.0129% (0.16 1.0 1.00 0.02 0.02) = 0.013% HD3 LYS+ 121 - QB LYS+ 33 8.333% * 0.0111% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 93 - QB LYS+ 33 8.333% * 0.0111% (0.14 1.0 1.00 0.02 0.02) = 0.011% Peak 279 (1.63, 1.86, 32.27 ppm): 5 chemical-shift based assignments, quality = 0.977, support = 4.85, residual support = 113.1: * O T QD LYS+ 33 - QB LYS+ 33 20.000% * 97.6781% (1.00 10.0 10.00 4.97 115.75) = 97.678% kept T HB3 LEU 123 - QB LYS+ 33 20.000% * 0.9768% (1.00 1.0 10.00 0.02 0.02) = 0.977% T HD3 LYS+ 111 - QB LYS+ 33 20.000% * 0.8350% (0.85 1.0 10.00 0.02 0.02) = 0.835% T HD2 LYS+ 74 - QB LYS+ 33 20.000% * 0.4305% (0.44 1.0 10.00 0.02 0.02) = 0.431% QB ALA 57 - QB LYS+ 33 20.000% * 0.0796% (0.81 1.0 1.00 0.02 0.02) = 0.080% Peak 280 (2.92, 1.86, 32.27 ppm): 6 chemical-shift based assignments, quality = 0.977, support = 4.68, residual support = 99.1: * T QE LYS+ 33 - QB LYS+ 33 16.667% * 85.4521% (1.00 10.00 5.41 115.75) = 85.452% kept T QE LYS+ 65 - QB LYS+ 33 16.667% * 14.3514% (0.85 10.00 0.39 1.01) = 14.351% kept HB2 ASN 28 - QB LYS+ 33 16.667% * 0.0830% (0.97 1.00 0.02 0.02) = 0.083% HB2 ASP- 86 - QB LYS+ 33 16.667% * 0.0498% (0.58 1.00 0.02 0.02) = 0.050% HB2 ASP- 78 - QB LYS+ 33 16.667% * 0.0456% (0.53 1.00 0.02 0.14) = 0.046% HB2 ASN 35 - QB LYS+ 33 16.667% * 0.0182% (0.21 1.00 0.02 1.15) = 0.018% Peak 287 (4.01, 1.38, 25.23 ppm): 36 chemical-shift based assignments, quality = 0.872, support = 3.77, residual support = 70.3: * O T HA LYS+ 33 - HG3 LYS+ 33 2.778% * 59.2591% (1.00 10.0 10.00 5.48 115.75) = 59.259% kept T HA GLU- 29 - HG3 LYS+ 33 2.778% * 20.7655% (0.95 1.0 10.00 0.74 0.12) = 20.765% kept T HA GLN 32 - HG3 LYS+ 33 2.778% * 9.3813% (0.16 1.0 10.00 3.70 16.64) = 9.381% kept T HA LYS+ 33 - HG3 LYS+ 65 2.778% * 7.8249% (0.86 1.0 10.00 0.31 1.01) = 7.825% kept T HA GLU- 29 - HG3 LYS+ 65 2.778% * 0.4843% (0.82 1.0 10.00 0.02 0.02) = 0.484% T HA LYS+ 33 - HG3 LYS+ 106 2.778% * 0.3415% (0.58 1.0 10.00 0.02 0.02) = 0.341% T HA GLU- 29 - HG3 LYS+ 106 2.778% * 0.3244% (0.55 1.0 10.00 0.02 0.02) = 0.324% T HA LYS+ 33 - HG3 LYS+ 102 2.778% * 0.2873% (0.48 1.0 10.00 0.02 0.02) = 0.287% T HA GLU- 29 - HG3 LYS+ 102 2.778% * 0.2729% (0.46 1.0 10.00 0.02 0.02) = 0.273% HB2 SER 82 - HG3 LYS+ 65 2.778% * 0.2318% (0.74 1.0 1.00 0.11 0.02) = 0.232% T HA GLN 32 - HG3 LYS+ 65 2.778% * 0.0807% (0.14 1.0 10.00 0.02 0.02) = 0.081% HA VAL 18 - HG3 LYS+ 33 2.778% * 0.0547% (0.92 1.0 1.00 0.02 0.02) = 0.055% T HA GLN 32 - HG3 LYS+ 106 2.778% * 0.0541% (0.09 1.0 10.00 0.02 0.02) = 0.054% HB2 SER 82 - HG3 LYS+ 33 2.778% * 0.0507% (0.85 1.0 1.00 0.02 0.56) = 0.051% HA VAL 70 - HG3 LYS+ 33 2.778% * 0.0483% (0.81 1.0 1.00 0.02 0.02) = 0.048% HA GLN 116 - HG3 LYS+ 33 2.778% * 0.0483% (0.81 1.0 1.00 0.02 0.02) = 0.048% HA VAL 18 - HG3 LYS+ 65 2.778% * 0.0471% (0.79 1.0 1.00 0.02 0.02) = 0.047% T HA GLN 32 - HG3 LYS+ 102 2.778% * 0.0455% (0.08 1.0 10.00 0.02 0.02) = 0.045% HA GLN 116 - HG3 LYS+ 65 2.778% * 0.0415% (0.70 1.0 1.00 0.02 0.02) = 0.042% HA VAL 70 - HG3 LYS+ 65 2.778% * 0.0415% (0.70 1.0 1.00 0.02 0.02) = 0.042% HA VAL 18 - HG3 LYS+ 106 2.778% * 0.0315% (0.53 1.0 1.00 0.02 0.02) = 0.032% HB2 SER 82 - HG3 LYS+ 106 2.778% * 0.0292% (0.49 1.0 1.00 0.02 0.02) = 0.029% HA VAL 70 - HG3 LYS+ 106 2.778% * 0.0278% (0.47 1.0 1.00 0.02 0.02) = 0.028% HA GLN 116 - HG3 LYS+ 106 2.778% * 0.0278% (0.47 1.0 1.00 0.02 0.02) = 0.028% HA VAL 18 - HG3 LYS+ 102 2.778% * 0.0265% (0.45 1.0 1.00 0.02 0.10) = 0.027% HB2 SER 82 - HG3 LYS+ 102 2.778% * 0.0246% (0.41 1.0 1.00 0.02 0.02) = 0.025% HA SER 48 - HG3 LYS+ 33 2.778% * 0.0235% (0.40 1.0 1.00 0.02 0.02) = 0.024% HA GLN 116 - HG3 LYS+ 102 2.778% * 0.0234% (0.39 1.0 1.00 0.02 0.02) = 0.023% HA VAL 70 - HG3 LYS+ 102 2.778% * 0.0234% (0.39 1.0 1.00 0.02 0.02) = 0.023% HA SER 48 - HG3 LYS+ 65 2.778% * 0.0202% (0.34 1.0 1.00 0.02 0.02) = 0.020% HA SER 48 - HG3 LYS+ 106 2.778% * 0.0135% (0.23 1.0 1.00 0.02 0.02) = 0.014% HA SER 48 - HG3 LYS+ 102 2.778% * 0.0114% (0.19 1.0 1.00 0.02 0.02) = 0.011% HA ALA 88 - HG3 LYS+ 33 2.778% * 0.0109% (0.18 1.0 1.00 0.02 0.02) = 0.011% HA ALA 88 - HG3 LYS+ 65 2.778% * 0.0094% (0.16 1.0 1.00 0.02 0.02) = 0.009% HA ALA 88 - HG3 LYS+ 106 2.778% * 0.0063% (0.11 1.0 1.00 0.02 0.02) = 0.006% HA ALA 88 - HG3 LYS+ 102 2.778% * 0.0053% (0.09 1.0 1.00 0.02 0.02) = 0.005% Peak 288 (1.86, 1.38, 25.23 ppm): 44 chemical-shift based assignments, quality = 0.79, support = 4.55, residual support = 85.6: * O T QB LYS+ 33 - HG3 LYS+ 33 2.273% * 49.5610% (1.00 10.0 10.00 5.57 115.75) = 49.561% kept O T QB LYS+ 106 - HG3 LYS+ 106 2.273% * 26.3641% (0.53 10.0 10.00 5.26 99.98) = 26.364% kept T QB LYS+ 33 - HG3 LYS+ 65 2.273% * 8.6171% (0.86 1.0 10.00 0.40 1.01) = 8.617% kept HB3 ASP- 105 - HG3 LYS+ 106 2.273% * 4.8183% (0.56 1.0 1.00 3.47 16.97) = 4.818% kept HB ILE 103 - HG3 LYS+ 102 2.273% * 4.6402% (0.45 1.0 1.00 4.18 21.70) = 4.640% kept T QB LYS+ 106 - HG3 LYS+ 33 2.273% * 2.7857% (0.92 1.0 10.00 0.12 0.02) = 2.786% kept T QB LYS+ 106 - HG3 LYS+ 102 2.273% * 1.3991% (0.45 1.0 10.00 0.13 0.02) = 1.399% kept T QB LYS+ 106 - HG3 LYS+ 65 2.273% * 0.3935% (0.79 1.0 10.00 0.02 0.02) = 0.394% T QB LYS+ 33 - HG3 LYS+ 106 2.273% * 0.2856% (0.58 1.0 10.00 0.02 0.02) = 0.286% T QB LYS+ 33 - HG3 LYS+ 102 2.273% * 0.2402% (0.48 1.0 10.00 0.02 0.02) = 0.240% HB3 GLN 90 - HG3 LYS+ 33 2.273% * 0.0489% (0.99 1.0 1.00 0.02 0.02) = 0.049% HB3 ASP- 105 - HG3 LYS+ 33 2.273% * 0.0482% (0.97 1.0 1.00 0.02 0.21) = 0.048% QB LYS+ 81 - HG3 LYS+ 33 2.273% * 0.0471% (0.95 1.0 1.00 0.02 5.24) = 0.047% HG2 ARG+ 54 - HG3 LYS+ 33 2.273% * 0.0471% (0.95 1.0 1.00 0.02 0.33) = 0.047% HB ILE 103 - HG3 LYS+ 33 2.273% * 0.0458% (0.92 1.0 1.00 0.02 0.02) = 0.046% HG3 PRO 68 - HG3 LYS+ 33 2.273% * 0.0442% (0.89 1.0 1.00 0.02 0.02) = 0.044% HB3 GLN 90 - HG3 LYS+ 65 2.273% * 0.0421% (0.85 1.0 1.00 0.02 0.02) = 0.042% HB3 ASP- 105 - HG3 LYS+ 65 2.273% * 0.0414% (0.84 1.0 1.00 0.02 0.02) = 0.041% HG2 ARG+ 54 - HG3 LYS+ 65 2.273% * 0.0405% (0.82 1.0 1.00 0.02 0.02) = 0.041% QB LYS+ 81 - HG3 LYS+ 65 2.273% * 0.0405% (0.82 1.0 1.00 0.02 0.24) = 0.041% HB ILE 103 - HG3 LYS+ 65 2.273% * 0.0394% (0.79 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 68 - HG3 LYS+ 65 2.273% * 0.0380% (0.77 1.0 1.00 0.02 0.02) = 0.038% HB3 GLN 90 - HG3 LYS+ 106 2.273% * 0.0282% (0.57 1.0 1.00 0.02 0.02) = 0.028% QB LYS+ 81 - HG3 LYS+ 106 2.273% * 0.0271% (0.55 1.0 1.00 0.02 0.02) = 0.027% HG2 ARG+ 54 - HG3 LYS+ 106 2.273% * 0.0271% (0.55 1.0 1.00 0.02 0.02) = 0.027% HB ILE 103 - HG3 LYS+ 106 2.273% * 0.0264% (0.53 1.0 1.00 0.02 0.02) = 0.026% HG3 PRO 68 - HG3 LYS+ 106 2.273% * 0.0255% (0.51 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 90 - HG3 LYS+ 102 2.273% * 0.0237% (0.48 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 105 - HG3 LYS+ 102 2.273% * 0.0233% (0.47 1.0 1.00 0.02 0.02) = 0.023% QB LYS+ 81 - HG3 LYS+ 102 2.273% * 0.0228% (0.46 1.0 1.00 0.02 0.02) = 0.023% HG2 ARG+ 54 - HG3 LYS+ 102 2.273% * 0.0228% (0.46 1.0 1.00 0.02 0.02) = 0.023% HB ILE 56 - HG3 LYS+ 33 2.273% * 0.0218% (0.44 1.0 1.00 0.02 0.02) = 0.022% HG3 PRO 68 - HG3 LYS+ 102 2.273% * 0.0214% (0.43 1.0 1.00 0.02 0.02) = 0.021% HB ILE 56 - HG3 LYS+ 65 2.273% * 0.0188% (0.38 1.0 1.00 0.02 4.85) = 0.019% HB3 LYS+ 38 - HG3 LYS+ 33 2.273% * 0.0138% (0.28 1.0 1.00 0.02 0.02) = 0.014% HB ILE 56 - HG3 LYS+ 106 2.273% * 0.0126% (0.25 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 38 - HG3 LYS+ 65 2.273% * 0.0119% (0.24 1.0 1.00 0.02 0.02) = 0.012% HB ILE 56 - HG3 LYS+ 102 2.273% * 0.0106% (0.21 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 38 - HG3 LYS+ 106 2.273% * 0.0079% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 30 - HG3 LYS+ 33 2.273% * 0.0067% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - HG3 LYS+ 102 2.273% * 0.0067% (0.13 1.0 1.00 0.02 0.59) = 0.007% HB3 GLN 30 - HG3 LYS+ 65 2.273% * 0.0058% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 30 - HG3 LYS+ 106 2.273% * 0.0039% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 GLN 30 - HG3 LYS+ 102 2.273% * 0.0033% (0.07 1.0 1.00 0.02 0.02) = 0.003% Peak 290 (1.38, 1.38, 25.23 ppm): 4 diagonal assignments: * HG3 LYS+ 33 - HG3 LYS+ 33 (1.00) kept HG3 LYS+ 65 - HG3 LYS+ 65 (0.85) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.45) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.42) kept Peak 291 (1.63, 1.38, 25.23 ppm): 20 chemical-shift based assignments, quality = 0.952, support = 4.25, residual support = 110.2: * O T QD LYS+ 33 - HG3 LYS+ 33 5.000% * 95.1680% (1.00 10.0 10.00 4.47 115.75) = 95.168% kept T QD LYS+ 33 - HG3 LYS+ 65 5.000% * 0.8186% (0.86 1.0 10.00 0.02 1.01) = 0.819% T HD3 LYS+ 111 - HG3 LYS+ 33 5.000% * 0.8136% (0.85 1.0 10.00 0.02 0.02) = 0.814% T HD3 LYS+ 111 - HG3 LYS+ 65 5.000% * 0.6998% (0.74 1.0 10.00 0.02 0.02) = 0.700% T QD LYS+ 33 - HG3 LYS+ 106 5.000% * 0.5484% (0.58 1.0 10.00 0.02 0.02) = 0.548% T HD3 LYS+ 111 - HG3 LYS+ 106 5.000% * 0.4688% (0.49 1.0 10.00 0.02 0.02) = 0.469% T QD LYS+ 33 - HG3 LYS+ 102 5.000% * 0.4613% (0.48 1.0 10.00 0.02 0.02) = 0.461% T HD3 LYS+ 111 - HG3 LYS+ 102 5.000% * 0.3944% (0.41 1.0 10.00 0.02 0.02) = 0.394% HB3 LEU 123 - HG3 LYS+ 33 5.000% * 0.0952% (1.00 1.0 1.00 0.02 0.02) = 0.095% HB3 LEU 123 - HG3 LYS+ 65 5.000% * 0.0819% (0.86 1.0 1.00 0.02 0.62) = 0.082% QB ALA 57 - HG3 LYS+ 33 5.000% * 0.0775% (0.81 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - HG3 LYS+ 65 5.000% * 0.0667% (0.70 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 123 - HG3 LYS+ 106 5.000% * 0.0548% (0.58 1.0 1.00 0.02 0.02) = 0.055% HB3 LEU 123 - HG3 LYS+ 102 5.000% * 0.0461% (0.48 1.0 1.00 0.02 0.02) = 0.046% QB ALA 57 - HG3 LYS+ 106 5.000% * 0.0447% (0.47 1.0 1.00 0.02 0.02) = 0.045% HD2 LYS+ 74 - HG3 LYS+ 33 5.000% * 0.0419% (0.44 1.0 1.00 0.02 0.02) = 0.042% QB ALA 57 - HG3 LYS+ 102 5.000% * 0.0376% (0.39 1.0 1.00 0.02 0.02) = 0.038% HD2 LYS+ 74 - HG3 LYS+ 65 5.000% * 0.0361% (0.38 1.0 1.00 0.02 0.02) = 0.036% HD2 LYS+ 74 - HG3 LYS+ 106 5.000% * 0.0242% (0.25 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 74 - HG3 LYS+ 102 5.000% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 292 (2.92, 1.38, 25.23 ppm): 24 chemical-shift based assignments, quality = 0.87, support = 3.41, residual support = 80.1: * O T QE LYS+ 33 - HG3 LYS+ 33 4.167% * 40.6201% (1.00 10.0 10.00 4.71 115.75) = 40.620% kept O T QE LYS+ 65 - HG3 LYS+ 65 4.167% * 29.8699% (0.74 10.0 10.00 4.22 109.67) = 29.870% kept T QE LYS+ 33 - HG3 LYS+ 65 4.167% * 14.4870% (0.86 1.0 10.00 0.83 1.01) = 14.487% kept T QE LYS+ 65 - HG3 LYS+ 33 4.167% * 13.9507% (0.85 1.0 10.00 0.80 1.01) = 13.951% kept T QE LYS+ 33 - HG3 LYS+ 106 4.167% * 0.2341% (0.58 1.0 10.00 0.02 0.02) = 0.234% T QE LYS+ 65 - HG3 LYS+ 106 4.167% * 0.2001% (0.49 1.0 10.00 0.02 0.02) = 0.200% T QE LYS+ 33 - HG3 LYS+ 102 4.167% * 0.1969% (0.48 1.0 10.00 0.02 0.02) = 0.197% T QE LYS+ 65 - HG3 LYS+ 102 4.167% * 0.1683% (0.41 1.0 10.00 0.02 0.02) = 0.168% HB2 ASN 28 - HG3 LYS+ 33 4.167% * 0.0395% (0.97 1.0 1.00 0.02 0.02) = 0.039% HB2 ASN 28 - HG3 LYS+ 65 4.167% * 0.0339% (0.84 1.0 1.00 0.02 0.02) = 0.034% HB2 ASP- 86 - HG3 LYS+ 33 4.167% * 0.0237% (0.58 1.0 1.00 0.02 0.02) = 0.024% HB2 ASN 28 - HG3 LYS+ 106 4.167% * 0.0227% (0.56 1.0 1.00 0.02 0.02) = 0.023% HB2 ASP- 78 - HG3 LYS+ 33 4.167% * 0.0217% (0.53 1.0 1.00 0.02 0.14) = 0.022% HB2 ASP- 86 - HG3 LYS+ 65 4.167% * 0.0203% (0.50 1.0 1.00 0.02 0.02) = 0.020% HB2 ASN 28 - HG3 LYS+ 102 4.167% * 0.0191% (0.47 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 78 - HG3 LYS+ 65 4.167% * 0.0187% (0.46 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 86 - HG3 LYS+ 106 4.167% * 0.0136% (0.34 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 78 - HG3 LYS+ 106 4.167% * 0.0125% (0.31 1.0 1.00 0.02 0.02) = 0.013% HB2 ASP- 86 - HG3 LYS+ 102 4.167% * 0.0115% (0.28 1.0 1.00 0.02 0.02) = 0.011% HB2 ASP- 78 - HG3 LYS+ 102 4.167% * 0.0105% (0.26 1.0 1.00 0.02 0.02) = 0.011% HB2 ASN 35 - HG3 LYS+ 33 4.167% * 0.0086% (0.21 1.0 1.00 0.02 1.15) = 0.009% HB2 ASN 35 - HG3 LYS+ 65 4.167% * 0.0074% (0.18 1.0 1.00 0.02 0.02) = 0.007% HB2 ASN 35 - HG3 LYS+ 106 4.167% * 0.0050% (0.12 1.0 1.00 0.02 0.02) = 0.005% HB2 ASN 35 - HG3 LYS+ 102 4.167% * 0.0042% (0.10 1.0 1.00 0.02 0.11) = 0.004% Peak 293 (4.01, 1.63, 29.57 ppm): 18 chemical-shift based assignments, quality = 0.882, support = 3.66, residual support = 80.9: * T HA LYS+ 33 - QD LYS+ 33 5.556% * 68.2841% (1.00 10.00 4.71 115.75) = 68.284% kept T HA GLU- 29 - QD LYS+ 33 5.556% * 19.1711% (0.95 10.00 0.59 0.12) = 19.171% kept T HA GLN 32 - QD LYS+ 33 5.556% * 10.8101% (0.16 10.00 3.07 16.64) = 10.810% kept T HA LYS+ 33 - HD3 LYS+ 111 5.556% * 0.5833% (0.85 10.00 0.02 0.02) = 0.583% T HA GLU- 29 - HD3 LYS+ 111 5.556% * 0.5542% (0.81 10.00 0.02 0.02) = 0.554% T HA GLN 32 - HD3 LYS+ 111 5.556% * 0.0923% (0.14 10.00 0.02 0.02) = 0.092% HA VAL 18 - QD LYS+ 33 5.556% * 0.0630% (0.92 1.00 0.02 0.02) = 0.063% HB2 SER 82 - QD LYS+ 33 5.556% * 0.0584% (0.85 1.00 0.02 0.56) = 0.058% HA GLN 116 - QD LYS+ 33 5.556% * 0.0556% (0.81 1.00 0.02 0.02) = 0.056% HA VAL 70 - QD LYS+ 33 5.556% * 0.0556% (0.81 1.00 0.02 0.02) = 0.056% HA VAL 18 - HD3 LYS+ 111 5.556% * 0.0538% (0.79 1.00 0.02 0.02) = 0.054% HB2 SER 82 - HD3 LYS+ 111 5.556% * 0.0499% (0.73 1.00 0.02 0.02) = 0.050% HA GLN 116 - HD3 LYS+ 111 5.556% * 0.0475% (0.70 1.00 0.02 0.02) = 0.048% HA VAL 70 - HD3 LYS+ 111 5.556% * 0.0475% (0.70 1.00 0.02 0.02) = 0.048% HA SER 48 - QD LYS+ 33 5.556% * 0.0271% (0.40 1.00 0.02 0.02) = 0.027% HA SER 48 - HD3 LYS+ 111 5.556% * 0.0231% (0.34 1.00 0.02 0.02) = 0.023% HA ALA 88 - QD LYS+ 33 5.556% * 0.0126% (0.18 1.00 0.02 0.02) = 0.013% HA ALA 88 - HD3 LYS+ 111 5.556% * 0.0107% (0.16 1.00 0.02 0.02) = 0.011% Peak 294 (1.86, 1.63, 29.57 ppm): 22 chemical-shift based assignments, quality = 0.963, support = 3.71, residual support = 81.6: * O T QB LYS+ 33 - QD LYS+ 33 4.545% * 70.4386% (1.00 10.0 10.00 4.97 115.75) = 70.439% kept T HG2 ARG+ 54 - QD LYS+ 33 4.545% * 25.5562% (0.95 1.0 10.00 0.76 0.33) = 25.556% kept HG2 ARG+ 54 - HD3 LYS+ 111 4.545% * 1.9896% (0.81 1.0 1.00 0.70 0.02) = 1.990% kept T HG3 PRO 68 - QD LYS+ 33 4.545% * 0.6277% (0.89 1.0 10.00 0.02 0.02) = 0.628% T QB LYS+ 33 - HD3 LYS+ 111 4.545% * 0.6017% (0.85 1.0 10.00 0.02 0.02) = 0.602% HB3 GLN 90 - QD LYS+ 33 4.545% * 0.0695% (0.99 1.0 1.00 0.02 0.02) = 0.070% HB3 ASP- 105 - QD LYS+ 33 4.545% * 0.0684% (0.97 1.0 1.00 0.02 0.21) = 0.068% QB LYS+ 81 - QD LYS+ 33 4.545% * 0.0669% (0.95 1.0 1.00 0.02 5.24) = 0.067% QB LYS+ 106 - QD LYS+ 33 4.545% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HB ILE 103 - QD LYS+ 33 4.545% * 0.0650% (0.92 1.0 1.00 0.02 0.02) = 0.065% HB3 GLN 90 - HD3 LYS+ 111 4.545% * 0.0594% (0.84 1.0 1.00 0.02 0.02) = 0.059% HB3 ASP- 105 - HD3 LYS+ 111 4.545% * 0.0585% (0.83 1.0 1.00 0.02 0.02) = 0.058% QB LYS+ 81 - HD3 LYS+ 111 4.545% * 0.0572% (0.81 1.0 1.00 0.02 0.02) = 0.057% QB LYS+ 106 - HD3 LYS+ 111 4.545% * 0.0555% (0.79 1.0 1.00 0.02 0.02) = 0.056% HB ILE 103 - HD3 LYS+ 111 4.545% * 0.0555% (0.79 1.0 1.00 0.02 0.02) = 0.056% HG3 PRO 68 - HD3 LYS+ 111 4.545% * 0.0536% (0.76 1.0 1.00 0.02 0.02) = 0.054% HB ILE 56 - QD LYS+ 33 4.545% * 0.0310% (0.44 1.0 1.00 0.02 0.02) = 0.031% HB ILE 56 - HD3 LYS+ 111 4.545% * 0.0265% (0.38 1.0 1.00 0.02 0.84) = 0.027% HB3 LYS+ 38 - QD LYS+ 33 4.545% * 0.0196% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 38 - HD3 LYS+ 111 4.545% * 0.0167% (0.24 1.0 1.00 0.02 0.02) = 0.017% HB3 GLN 30 - QD LYS+ 33 4.545% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 GLN 30 - HD3 LYS+ 111 4.545% * 0.0081% (0.12 1.0 1.00 0.02 0.02) = 0.008% Peak 296 (1.38, 1.63, 29.57 ppm): 24 chemical-shift based assignments, quality = 0.908, support = 4.29, residual support = 96.7: * O T HG3 LYS+ 33 - QD LYS+ 33 4.167% * 80.3875% (1.00 10.0 10.00 4.47 115.75) = 80.387% kept HB2 LYS+ 112 - HD3 LYS+ 111 4.167% * 14.3235% (0.73 1.0 1.00 4.88 25.68) = 14.324% kept T HG3 LYS+ 65 - QD LYS+ 33 4.167% * 0.7937% (0.99 1.0 10.00 0.02 1.01) = 0.794% T HG3 LYS+ 102 - QD LYS+ 33 4.167% * 0.7421% (0.92 1.0 10.00 0.02 0.02) = 0.742% T HG3 LYS+ 33 - HD3 LYS+ 111 4.167% * 0.6867% (0.85 1.0 10.00 0.02 0.02) = 0.687% T HG3 LYS+ 65 - HD3 LYS+ 111 4.167% * 0.6779% (0.84 1.0 10.00 0.02 0.02) = 0.678% T HG3 LYS+ 102 - HD3 LYS+ 111 4.167% * 0.6339% (0.79 1.0 10.00 0.02 0.02) = 0.634% T HG3 LYS+ 106 - QD LYS+ 33 4.167% * 0.5837% (0.73 1.0 10.00 0.02 0.02) = 0.584% T HG3 LYS+ 106 - HD3 LYS+ 111 4.167% * 0.4986% (0.62 1.0 10.00 0.02 0.02) = 0.499% T HD3 LYS+ 121 - HD3 LYS+ 111 4.167% * 0.0929% (0.12 1.0 10.00 0.02 0.28) = 0.093% HB VAL 42 - QD LYS+ 33 4.167% * 0.0794% (0.99 1.0 1.00 0.02 0.02) = 0.079% HB3 LEU 73 - QD LYS+ 33 4.167% * 0.0764% (0.95 1.0 1.00 0.02 0.02) = 0.076% HB2 LYS+ 112 - QD LYS+ 33 4.167% * 0.0687% (0.85 1.0 1.00 0.02 0.02) = 0.069% HB VAL 42 - HD3 LYS+ 111 4.167% * 0.0678% (0.84 1.0 1.00 0.02 0.02) = 0.068% HB3 LEU 73 - HD3 LYS+ 111 4.167% * 0.0652% (0.81 1.0 1.00 0.02 0.13) = 0.065% QB ALA 12 - QD LYS+ 33 4.167% * 0.0584% (0.73 1.0 1.00 0.02 0.02) = 0.058% QB ALA 12 - HD3 LYS+ 111 4.167% * 0.0499% (0.62 1.0 1.00 0.02 0.02) = 0.050% QB LEU 98 - QD LYS+ 33 4.167% * 0.0319% (0.40 1.0 1.00 0.02 0.02) = 0.032% QB LEU 98 - HD3 LYS+ 111 4.167% * 0.0272% (0.34 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 74 - QD LYS+ 33 4.167% * 0.0127% (0.16 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 93 - QD LYS+ 33 4.167% * 0.0109% (0.14 1.0 1.00 0.02 0.02) = 0.011% HD3 LYS+ 121 - QD LYS+ 33 4.167% * 0.0109% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 LYS+ 74 - HD3 LYS+ 111 4.167% * 0.0109% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 93 - HD3 LYS+ 111 4.167% * 0.0093% (0.12 1.0 1.00 0.02 0.02) = 0.009% Peak 297 (1.63, 1.63, 29.57 ppm): 2 diagonal assignments: * QD LYS+ 33 - QD LYS+ 33 (1.00) kept HD3 LYS+ 111 - HD3 LYS+ 111 (0.73) kept Peak 298 (2.92, 1.63, 29.57 ppm): 12 chemical-shift based assignments, quality = 0.947, support = 3.34, residual support = 83.3: * O T QE LYS+ 33 - QD LYS+ 33 8.333% * 71.7525% (1.00 10.0 10.00 4.33 115.75) = 71.753% kept T QE LYS+ 65 - QD LYS+ 33 8.333% * 26.8045% (0.85 1.0 10.00 0.87 1.01) = 26.805% kept T QE LYS+ 33 - HD3 LYS+ 111 8.333% * 0.6129% (0.85 1.0 10.00 0.02 0.02) = 0.613% T QE LYS+ 65 - HD3 LYS+ 111 8.333% * 0.5240% (0.73 1.0 10.00 0.02 0.02) = 0.524% HB2 ASN 28 - QD LYS+ 33 8.333% * 0.0697% (0.97 1.0 1.00 0.02 0.02) = 0.070% HB2 ASN 28 - HD3 LYS+ 111 8.333% * 0.0596% (0.83 1.0 1.00 0.02 0.02) = 0.060% HB2 ASP- 86 - QD LYS+ 33 8.333% * 0.0418% (0.58 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 78 - QD LYS+ 33 8.333% * 0.0383% (0.53 1.0 1.00 0.02 0.14) = 0.038% HB2 ASP- 86 - HD3 LYS+ 111 8.333% * 0.0357% (0.50 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 78 - HD3 LYS+ 111 8.333% * 0.0327% (0.46 1.0 1.00 0.02 1.28) = 0.033% HB2 ASN 35 - QD LYS+ 33 8.333% * 0.0152% (0.21 1.0 1.00 0.02 1.15) = 0.015% HB2 ASN 35 - HD3 LYS+ 111 8.333% * 0.0130% (0.18 1.0 1.00 0.02 0.02) = 0.013% Peak 299 (4.01, 2.92, 42.01 ppm): 18 chemical-shift based assignments, quality = 0.843, support = 3.95, residual support = 79.7: * T HA LYS+ 33 - QE LYS+ 33 5.556% * 67.2021% (1.00 10.00 5.21 115.75) = 67.202% kept T HA GLU- 29 - QE LYS+ 33 5.556% * 11.8484% (0.95 10.00 0.37 0.12) = 11.848% kept T HA GLN 32 - QE LYS+ 33 5.556% * 10.6388% (0.16 10.00 3.35 16.64) = 10.639% kept T HA LYS+ 33 - QE LYS+ 65 5.556% * 8.5184% (0.49 10.00 0.52 1.01) = 8.518% kept HA VAL 18 - QE LYS+ 65 5.556% * 0.6369% (0.45 1.00 0.42 0.02) = 0.637% HB2 SER 82 - QE LYS+ 65 5.556% * 0.4495% (0.42 1.00 0.32 0.02) = 0.450% T HA GLU- 29 - QE LYS+ 65 5.556% * 0.3129% (0.47 10.00 0.02 0.02) = 0.313% HA VAL 18 - QE LYS+ 33 5.556% * 0.0620% (0.92 1.00 0.02 0.02) = 0.062% HB2 SER 82 - QE LYS+ 33 5.556% * 0.0574% (0.85 1.00 0.02 0.56) = 0.057% HA VAL 70 - QE LYS+ 33 5.556% * 0.0548% (0.81 1.00 0.02 0.02) = 0.055% HA GLN 116 - QE LYS+ 33 5.556% * 0.0548% (0.81 1.00 0.02 0.02) = 0.055% T HA GLN 32 - QE LYS+ 65 5.556% * 0.0521% (0.08 10.00 0.02 0.02) = 0.052% HA GLN 116 - QE LYS+ 65 5.556% * 0.0268% (0.40 1.00 0.02 0.02) = 0.027% HA VAL 70 - QE LYS+ 65 5.556% * 0.0268% (0.40 1.00 0.02 0.02) = 0.027% HA SER 48 - QE LYS+ 33 5.556% * 0.0267% (0.40 1.00 0.02 0.02) = 0.027% HA SER 48 - QE LYS+ 65 5.556% * 0.0131% (0.19 1.00 0.02 0.02) = 0.013% HA ALA 88 - QE LYS+ 33 5.556% * 0.0124% (0.18 1.00 0.02 0.02) = 0.012% HA ALA 88 - QE LYS+ 65 5.556% * 0.0061% (0.09 1.00 0.02 0.02) = 0.006% Peak 300 (1.86, 2.92, 42.01 ppm): 22 chemical-shift based assignments, quality = 0.947, support = 4.82, residual support = 102.4: * T QB LYS+ 33 - QE LYS+ 33 4.545% * 88.3162% (1.00 10.00 5.41 115.75) = 88.316% kept T QB LYS+ 33 - QE LYS+ 65 4.545% * 8.5020% (0.49 10.00 0.39 1.01) = 8.502% kept QB LYS+ 81 - QE LYS+ 33 4.545% * 2.2852% (0.95 1.00 0.54 5.24) = 2.285% kept HB3 GLN 90 - QE LYS+ 33 4.545% * 0.0872% (0.99 1.00 0.02 0.02) = 0.087% HB3 ASP- 105 - QE LYS+ 33 4.545% * 0.0858% (0.97 1.00 0.02 0.21) = 0.086% HG2 ARG+ 54 - QE LYS+ 33 4.545% * 0.0839% (0.95 1.00 0.02 0.33) = 0.084% QB LYS+ 106 - QE LYS+ 33 4.545% * 0.0815% (0.92 1.00 0.02 0.02) = 0.082% HB ILE 103 - QE LYS+ 33 4.545% * 0.0815% (0.92 1.00 0.02 0.02) = 0.082% HG3 PRO 68 - QE LYS+ 33 4.545% * 0.0787% (0.89 1.00 0.02 0.02) = 0.079% HB3 GLN 90 - QE LYS+ 65 4.545% * 0.0427% (0.48 1.00 0.02 0.02) = 0.043% HB3 ASP- 105 - QE LYS+ 65 4.545% * 0.0420% (0.48 1.00 0.02 0.02) = 0.042% QB LYS+ 81 - QE LYS+ 65 4.545% * 0.0411% (0.47 1.00 0.02 0.24) = 0.041% HG2 ARG+ 54 - QE LYS+ 65 4.545% * 0.0411% (0.47 1.00 0.02 0.02) = 0.041% QB LYS+ 106 - QE LYS+ 65 4.545% * 0.0399% (0.45 1.00 0.02 0.02) = 0.040% HB ILE 103 - QE LYS+ 65 4.545% * 0.0399% (0.45 1.00 0.02 0.02) = 0.040% HB ILE 56 - QE LYS+ 33 4.545% * 0.0389% (0.44 1.00 0.02 0.02) = 0.039% HG3 PRO 68 - QE LYS+ 65 4.545% * 0.0386% (0.44 1.00 0.02 0.02) = 0.039% HB3 LYS+ 38 - QE LYS+ 33 4.545% * 0.0246% (0.28 1.00 0.02 0.02) = 0.025% HB ILE 56 - QE LYS+ 65 4.545% * 0.0191% (0.22 1.00 0.02 4.85) = 0.019% HB3 LYS+ 38 - QE LYS+ 65 4.545% * 0.0120% (0.14 1.00 0.02 0.02) = 0.012% HB3 GLN 30 - QE LYS+ 33 4.545% * 0.0120% (0.14 1.00 0.02 0.02) = 0.012% HB3 GLN 30 - QE LYS+ 65 4.545% * 0.0059% (0.07 1.00 0.02 0.02) = 0.006% Peak 302 (1.38, 2.92, 42.01 ppm): 24 chemical-shift based assignments, quality = 0.818, support = 3.42, residual support = 79.9: * O T HG3 LYS+ 33 - QE LYS+ 33 4.167% * 47.1467% (1.00 10.0 10.00 4.71 115.75) = 47.147% kept O T HG3 LYS+ 65 - QE LYS+ 65 4.167% * 22.8089% (0.48 10.0 10.00 4.22 109.67) = 22.809% kept T HG3 LYS+ 65 - QE LYS+ 33 4.167% * 19.2992% (0.99 1.0 10.00 0.83 1.01) = 19.299% kept T HG3 LYS+ 33 - QE LYS+ 65 4.167% * 9.2814% (0.49 1.0 10.00 0.80 1.01) = 9.281% kept T HG3 LYS+ 102 - QE LYS+ 33 4.167% * 0.4352% (0.92 1.0 10.00 0.02 0.02) = 0.435% T HG3 LYS+ 106 - QE LYS+ 33 4.167% * 0.3424% (0.73 1.0 10.00 0.02 0.02) = 0.342% T HG3 LYS+ 102 - QE LYS+ 65 4.167% * 0.2133% (0.45 1.0 10.00 0.02 0.02) = 0.213% T HG3 LYS+ 106 - QE LYS+ 65 4.167% * 0.1678% (0.36 1.0 10.00 0.02 0.02) = 0.168% HB VAL 42 - QE LYS+ 33 4.167% * 0.0465% (0.99 1.0 1.00 0.02 0.02) = 0.047% HB3 LEU 73 - QE LYS+ 33 4.167% * 0.0448% (0.95 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 112 - QE LYS+ 33 4.167% * 0.0403% (0.85 1.0 1.00 0.02 0.02) = 0.040% QB ALA 12 - QE LYS+ 33 4.167% * 0.0342% (0.73 1.0 1.00 0.02 0.02) = 0.034% HB VAL 42 - QE LYS+ 65 4.167% * 0.0228% (0.48 1.0 1.00 0.02 0.02) = 0.023% HB3 LEU 73 - QE LYS+ 65 4.167% * 0.0219% (0.47 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 112 - QE LYS+ 65 4.167% * 0.0197% (0.42 1.0 1.00 0.02 0.02) = 0.020% QB LEU 98 - QE LYS+ 33 4.167% * 0.0187% (0.40 1.0 1.00 0.02 0.02) = 0.019% QB ALA 12 - QE LYS+ 65 4.167% * 0.0168% (0.36 1.0 1.00 0.02 0.02) = 0.017% QB LEU 98 - QE LYS+ 65 4.167% * 0.0092% (0.19 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 74 - QE LYS+ 33 4.167% * 0.0075% (0.16 1.0 1.00 0.02 0.02) = 0.007% HD3 LYS+ 121 - QE LYS+ 33 4.167% * 0.0064% (0.14 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 93 - QE LYS+ 33 4.167% * 0.0064% (0.14 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 74 - QE LYS+ 65 4.167% * 0.0037% (0.08 1.0 1.00 0.02 0.02) = 0.004% HD3 LYS+ 121 - QE LYS+ 65 4.167% * 0.0031% (0.07 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 93 - QE LYS+ 65 4.167% * 0.0031% (0.07 1.0 1.00 0.02 1.10) = 0.003% Peak 303 (1.63, 2.92, 42.01 ppm): 10 chemical-shift based assignments, quality = 0.898, support = 3.67, residual support = 94.3: * O T QD LYS+ 33 - QE LYS+ 33 10.000% * 81.2856% (1.00 10.0 10.00 4.33 115.75) = 81.286% kept T QD LYS+ 33 - QE LYS+ 65 10.000% * 17.4058% (0.49 1.0 10.00 0.87 1.01) = 17.406% kept T HD3 LYS+ 111 - QE LYS+ 33 10.000% * 0.6949% (0.85 1.0 10.00 0.02 0.02) = 0.695% T HD3 LYS+ 111 - QE LYS+ 65 10.000% * 0.3405% (0.42 1.0 10.00 0.02 0.02) = 0.341% HB3 LEU 123 - QE LYS+ 33 10.000% * 0.0813% (1.00 1.0 1.00 0.02 0.02) = 0.081% QB ALA 57 - QE LYS+ 33 10.000% * 0.0662% (0.81 1.0 1.00 0.02 0.02) = 0.066% HB3 LEU 123 - QE LYS+ 65 10.000% * 0.0398% (0.49 1.0 1.00 0.02 0.62) = 0.040% HD2 LYS+ 74 - QE LYS+ 33 10.000% * 0.0358% (0.44 1.0 1.00 0.02 0.02) = 0.036% QB ALA 57 - QE LYS+ 65 10.000% * 0.0325% (0.40 1.0 1.00 0.02 0.02) = 0.032% HD2 LYS+ 74 - QE LYS+ 65 10.000% * 0.0176% (0.22 1.0 1.00 0.02 0.02) = 0.018% Peak 304 (2.92, 2.92, 42.01 ppm): 2 diagonal assignments: * QE LYS+ 33 - QE LYS+ 33 (1.00) kept QE LYS+ 65 - QE LYS+ 65 (0.42) kept Peak 305 (4.13, 4.13, 54.46 ppm): 2 diagonal assignments: * HA ALA 34 - HA ALA 34 (0.73) kept HA ALA 124 - HA ALA 124 (0.08) kept Peak 306 (1.28, 4.13, 54.46 ppm): 12 chemical-shift based assignments, quality = 0.724, support = 1.92, residual support = 18.0: * O T QB ALA 34 - HA ALA 34 8.333% * 99.0778% (0.73 10.0 10.00 1.93 18.21) = 99.078% kept HG3 LYS+ 38 - HA ALA 34 8.333% * 0.4542% (0.34 1.0 1.00 0.20 0.02) = 0.454% T QB ALA 34 - HA ALA 124 8.333% * 0.1915% (0.14 1.0 10.00 0.02 0.02) = 0.191% QG2 THR 23 - HA ALA 34 8.333% * 0.1144% (0.84 1.0 1.00 0.02 0.02) = 0.114% QG2 ILE 56 - HA ALA 34 8.333% * 0.0731% (0.54 1.0 1.00 0.02 0.02) = 0.073% QG2 THR 23 - HA ALA 124 8.333% * 0.0221% (0.16 1.0 1.00 0.02 0.02) = 0.022% QG2 THR 39 - HA ALA 34 8.333% * 0.0183% (0.14 1.0 1.00 0.02 1.69) = 0.018% QB ALA 91 - HA ALA 34 8.333% * 0.0183% (0.14 1.0 1.00 0.02 0.02) = 0.018% QG2 ILE 56 - HA ALA 124 8.333% * 0.0141% (0.10 1.0 1.00 0.02 0.02) = 0.014% HG3 LYS+ 38 - HA ALA 124 8.333% * 0.0089% (0.07 1.0 1.00 0.02 0.02) = 0.009% QB ALA 91 - HA ALA 124 8.333% * 0.0035% (0.03 1.0 1.00 0.02 0.02) = 0.004% QG2 THR 39 - HA ALA 124 8.333% * 0.0035% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 307 (4.13, 1.28, 18.57 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 1.91, residual support = 18.0: * O T HA ALA 34 - QB ALA 34 12.500% * 98.9967% (0.73 10.0 10.00 1.93 18.21) = 98.997% kept T HA ALA 124 - QB ALA 34 12.500% * 0.5637% (0.42 1.0 10.00 0.02 0.02) = 0.564% HA ASN 28 - QB ALA 34 12.500% * 0.1143% (0.84 1.0 1.00 0.02 0.02) = 0.114% HA LEU 115 - QB ALA 34 12.500% * 0.1125% (0.83 1.0 1.00 0.02 0.51) = 0.113% HA1 GLY 101 - QB ALA 34 12.500% * 0.0730% (0.54 1.0 1.00 0.02 0.02) = 0.073% HA ARG+ 54 - QB ALA 34 12.500% * 0.0730% (0.54 1.0 1.00 0.02 0.02) = 0.073% HA GLU- 114 - QB ALA 34 12.500% * 0.0510% (0.38 1.0 1.00 0.02 0.02) = 0.051% HA THR 26 - QB ALA 34 12.500% * 0.0157% (0.12 1.0 1.00 0.02 0.02) = 0.016% Peak 308 (1.28, 1.28, 18.57 ppm): 1 diagonal assignment: * QB ALA 34 - QB ALA 34 (0.73) kept Peak 309 (4.38, 4.38, 56.42 ppm): 2 diagonal assignments: * HA ASN 35 - HA ASN 35 (1.00) kept HA LEU 40 - HA LEU 40 (0.06) kept Peak 310 (2.95, 4.38, 56.42 ppm): 12 chemical-shift based assignments, quality = 0.992, support = 3.94, residual support = 47.6: * O T HB2 ASN 35 - HA ASN 35 8.333% * 99.1718% (1.00 10.0 10.00 3.97 48.03) = 99.172% kept T HB2 ASN 28 - HA ASN 35 8.333% * 0.3124% (0.31 1.0 10.00 0.02 0.02) = 0.312% T HB2 ASN 35 - HA LEU 40 8.333% * 0.2416% (0.24 1.0 10.00 0.02 0.02) = 0.242% HB2 ASP- 86 - HA ASN 35 8.333% * 0.0765% (0.77 1.0 1.00 0.02 0.02) = 0.077% T HB2 ASN 28 - HA LEU 40 8.333% * 0.0761% (0.08 1.0 10.00 0.02 0.02) = 0.076% QE LYS+ 65 - HA ASN 35 8.333% * 0.0483% (0.49 1.0 1.00 0.02 0.02) = 0.048% QE LYS+ 33 - HA ASN 35 8.333% * 0.0211% (0.21 1.0 1.00 0.02 1.15) = 0.021% HB2 ASP- 86 - HA LEU 40 8.333% * 0.0186% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB3 PHE 60 - HA ASN 35 8.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% QE LYS+ 65 - HA LEU 40 8.333% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% QE LYS+ 33 - HA LEU 40 8.333% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 PHE 60 - HA LEU 40 8.333% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 312 (2.95, 2.95, 38.12 ppm): 2 diagonal assignments: * HB2 ASN 35 - HB2 ASN 35 (1.00) kept HB2 ASN 28 - HB2 ASN 28 (0.07) kept Peak 313 (4.10, 4.10, 58.69 ppm): 1 diagonal assignment: * HA GLU- 36 - HA GLU- 36 (1.00) kept Peak 314 (2.15, 4.10, 58.69 ppm): 5 chemical-shift based assignments, quality = 0.968, support = 4.16, residual support = 57.6: * O T QB GLU- 36 - HA GLU- 36 20.000% * 81.0433% (1.00 10.0 10.00 5.01 71.08) = 81.043% kept T HB3 GLU- 29 - HA GLU- 36 20.000% * 16.9939% (0.81 1.0 10.00 0.51 0.12) = 16.994% kept HB3 GLU- 79 - HA GLU- 36 20.000% * 1.8869% (0.99 1.0 1.00 0.47 0.02) = 1.887% kept HB2 GLN 90 - HA GLU- 36 20.000% * 0.0472% (0.58 1.0 1.00 0.02 0.02) = 0.047% HG3 GLU- 29 - HA GLU- 36 20.000% * 0.0287% (0.35 1.0 1.00 0.02 0.12) = 0.029% Peak 316 (2.46, 4.10, 58.69 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.29, residual support = 71.0: * O T HG2 GLU- 36 - HA GLU- 36 33.333% * 99.8714% (1.00 10.0 10.00 3.29 71.08) = 99.871% kept HG3 MET 96 - HA GLU- 36 33.333% * 0.0890% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB3 ASP- 62 - HA GLU- 36 33.333% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 317 (2.31, 4.10, 58.69 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 3.28, residual support = 70.6: * O T HG3 GLU- 36 - HA GLU- 36 14.286% * 99.3814% (1.00 10.0 10.00 3.30 71.08) = 99.381% kept T QB MET 11 - HA GLU- 36 14.286% * 0.2423% (0.24 1.0 10.00 0.02 0.02) = 0.242% HG2 MET 92 - HA GLU- 36 14.286% * 0.0994% (1.00 1.0 1.00 0.02 0.02) = 0.099% QG GLU- 114 - HA GLU- 36 14.286% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HA GLU- 36 14.286% * 0.0944% (0.95 1.0 1.00 0.02 0.02) = 0.094% HG2 PRO 52 - HA GLU- 36 14.286% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 25 - HA GLU- 36 14.286% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 328 (4.10, 2.46, 36.40 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 70.9: * O T HA GLU- 36 - HG2 GLU- 36 25.000% * 99.8101% (1.00 10.0 10.00 3.29 71.08) = 99.810% kept HA LYS+ 81 - HG2 GLU- 36 25.000% * 0.0970% (0.97 1.0 1.00 0.02 0.02) = 0.097% HA ALA 124 - HG2 GLU- 36 25.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA ARG+ 54 - HG2 GLU- 36 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 329 (2.15, 2.46, 36.40 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.9, residual support = 69.3: * O QB GLU- 36 - HG2 GLU- 36 20.000% * 97.4365% (1.00 10.0 3.99 71.08) = 97.437% kept HB3 GLU- 79 - HG2 GLU- 36 20.000% * 1.2503% (0.99 1.0 0.26 0.02) = 1.250% kept HB3 GLU- 29 - HG2 GLU- 36 20.000% * 1.2219% (0.81 1.0 0.31 0.12) = 1.222% kept HB2 GLN 90 - HG2 GLU- 36 20.000% * 0.0567% (0.58 1.0 0.02 0.02) = 0.057% HG3 GLU- 29 - HG2 GLU- 36 20.000% * 0.0345% (0.35 1.0 0.02 0.12) = 0.035% Peak 331 (2.46, 2.46, 36.40 ppm): 1 diagonal assignment: * HG2 GLU- 36 - HG2 GLU- 36 (1.00) kept Peak 332 (2.31, 2.46, 36.40 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 2.98, residual support = 70.6: * O T HG3 GLU- 36 - HG2 GLU- 36 14.286% * 99.3814% (1.00 10.0 10.00 3.00 71.08) = 99.381% kept T QB MET 11 - HG2 GLU- 36 14.286% * 0.2423% (0.24 1.0 10.00 0.02 0.02) = 0.242% HG2 MET 92 - HG2 GLU- 36 14.286% * 0.0994% (1.00 1.0 1.00 0.02 0.02) = 0.099% QG GLU- 114 - HG2 GLU- 36 14.286% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HG2 GLU- 36 14.286% * 0.0944% (0.95 1.0 1.00 0.02 0.02) = 0.094% HG2 PRO 52 - HG2 GLU- 36 14.286% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 25 - HG2 GLU- 36 14.286% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 333 (4.10, 2.31, 36.40 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 3.29, residual support = 70.9: * O T HA GLU- 36 - HG3 GLU- 36 12.500% * 99.7142% (1.00 10.0 10.00 3.30 71.08) = 99.714% kept HA LYS+ 81 - HG3 GLU- 36 12.500% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% T HA GLU- 36 - QB MET 11 12.500% * 0.0807% (0.08 1.0 10.00 0.02 0.02) = 0.081% HA ALA 124 - HG3 GLU- 36 12.500% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA ARG+ 54 - HG3 GLU- 36 12.500% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA LYS+ 81 - QB MET 11 12.500% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA ALA 124 - QB MET 11 12.500% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ARG+ 54 - QB MET 11 12.500% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 334 (2.15, 2.31, 36.40 ppm): 10 chemical-shift based assignments, quality = 0.992, support = 3.88, residual support = 69.0: * O QB GLU- 36 - HG3 GLU- 36 10.000% * 97.0231% (1.00 10.0 1.00 3.99 71.08) = 97.023% kept HB3 GLU- 79 - HG3 GLU- 36 10.000% * 1.2450% (0.99 1.0 1.00 0.26 0.02) = 1.245% kept HB3 GLU- 29 - HG3 GLU- 36 10.000% * 1.2167% (0.81 1.0 1.00 0.31 0.12) = 1.217% kept HB2 GLN 90 - HG3 GLU- 36 10.000% * 0.3404% (0.58 1.0 1.00 0.12 0.02) = 0.340% T HB3 GLU- 79 - QB MET 11 10.000% * 0.0775% (0.08 1.0 10.00 0.02 0.02) = 0.078% T HB2 GLN 90 - QB MET 11 10.000% * 0.0457% (0.05 1.0 10.00 0.02 0.02) = 0.046% HG3 GLU- 29 - HG3 GLU- 36 10.000% * 0.0344% (0.35 1.0 1.00 0.02 0.12) = 0.034% QB GLU- 36 - QB MET 11 10.000% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 29 - QB MET 11 10.000% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG3 GLU- 29 - QB MET 11 10.000% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 336 (2.46, 2.31, 36.40 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 70.9: * O T HG2 GLU- 36 - HG3 GLU- 36 16.667% * 99.7803% (1.00 10.0 10.00 3.00 71.08) = 99.780% kept HG3 MET 96 - HG3 GLU- 36 16.667% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% T HG2 GLU- 36 - QB MET 11 16.667% * 0.0808% (0.08 1.0 10.00 0.02 0.02) = 0.081% HB3 ASP- 62 - HG3 GLU- 36 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HG3 MET 96 - QB MET 11 16.667% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 ASP- 62 - QB MET 11 16.667% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 337 (2.31, 2.31, 36.40 ppm): 2 diagonal assignments: * HG3 GLU- 36 - HG3 GLU- 36 (1.00) kept QB MET 11 - QB MET 11 (0.02) kept Peak 338 (4.42, 4.42, 58.68 ppm): 3 diagonal assignments: * HA SER 37 - HA SER 37 (1.00) kept HA THR 46 - HA THR 46 (0.97) kept HA SER 13 - HA SER 13 (0.18) kept Peak 339 (4.03, 4.42, 58.68 ppm): 12 chemical-shift based assignments, quality = 0.983, support = 2.27, residual support = 25.5: * O T HB2 SER 37 - HA SER 37 8.333% * 98.2716% (1.00 10.0 10.00 2.31 25.95) = 98.272% kept T HB2 SER 37 - HA THR 46 8.333% * 0.9699% (0.99 1.0 10.00 0.02 0.02) = 0.970% T HB2 SER 37 - HA SER 13 8.333% * 0.4088% (0.42 1.0 10.00 0.02 0.02) = 0.409% HA1 GLY 16 - HA SER 37 8.333% * 0.0758% (0.77 1.0 1.00 0.02 0.02) = 0.076% HA1 GLY 16 - HA THR 46 8.333% * 0.0748% (0.76 1.0 1.00 0.02 0.02) = 0.075% HA VAL 70 - HA SER 37 8.333% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA GLN 116 - HA SER 37 8.333% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA VAL 70 - HA THR 46 8.333% * 0.0344% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA GLN 116 - HA THR 46 8.333% * 0.0344% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA1 GLY 16 - HA SER 13 8.333% * 0.0315% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA VAL 70 - HA SER 13 8.333% * 0.0145% (0.15 1.0 1.00 0.02 0.02) = 0.014% HA GLN 116 - HA SER 13 8.333% * 0.0145% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 340 (3.88, 4.42, 58.68 ppm): 18 chemical-shift based assignments, quality = 0.63, support = 2.14, residual support = 20.2: * O T HB3 SER 37 - HA SER 37 5.556% * 73.5291% (0.77 10.0 10.00 2.31 25.95) = 73.529% kept O T QB SER 13 - HA SER 13 5.556% * 21.1720% (0.22 10.0 10.00 1.93 4.86) = 21.172% kept HB THR 39 - HA SER 37 5.556% * 2.7247% (0.58 1.0 1.00 0.98 2.58) = 2.725% kept T HB3 SER 37 - HA THR 46 5.556% * 0.7257% (0.76 1.0 10.00 0.02 0.02) = 0.726% T QB SER 13 - HA SER 37 5.556% * 0.5089% (0.53 1.0 10.00 0.02 0.02) = 0.509% T QB SER 13 - HA THR 46 5.556% * 0.5023% (0.53 1.0 10.00 0.02 0.02) = 0.502% T HB3 SER 37 - HA SER 13 5.556% * 0.3059% (0.32 1.0 10.00 0.02 0.02) = 0.306% HB THR 118 - HA SER 37 5.556% * 0.0950% (1.00 1.0 1.00 0.02 0.02) = 0.095% HB THR 118 - HA THR 46 5.556% * 0.0937% (0.98 1.0 1.00 0.02 0.02) = 0.094% HA ILE 89 - HA SER 37 5.556% * 0.0735% (0.77 1.0 1.00 0.02 0.02) = 0.074% HA ILE 89 - HA THR 46 5.556% * 0.0726% (0.76 1.0 1.00 0.02 0.02) = 0.073% HB THR 39 - HA THR 46 5.556% * 0.0548% (0.57 1.0 1.00 0.02 0.02) = 0.055% HB THR 118 - HA SER 13 5.556% * 0.0395% (0.41 1.0 1.00 0.02 0.02) = 0.040% HA ILE 89 - HA SER 13 5.556% * 0.0306% (0.32 1.0 1.00 0.02 0.02) = 0.031% HB THR 39 - HA SER 13 5.556% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 SER 82 - HA SER 37 5.556% * 0.0202% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 82 - HA THR 46 5.556% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 82 - HA SER 13 5.556% * 0.0084% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 341 (4.42, 4.03, 64.19 ppm): 8 chemical-shift based assignments, quality = 0.983, support = 2.27, residual support = 25.5: * O T HA SER 37 - HB2 SER 37 12.500% * 98.3431% (1.00 10.0 10.00 2.31 25.95) = 98.343% kept T HA THR 46 - HB2 SER 37 12.500% * 0.9709% (0.99 1.0 10.00 0.02 0.02) = 0.971% T HA SER 13 - HB2 SER 37 12.500% * 0.4335% (0.44 1.0 10.00 0.02 0.02) = 0.433% HA GLN 17 - HB2 SER 37 12.500% * 0.0983% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA VAL 42 - HB2 SER 37 12.500% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 15 - HB2 SER 37 12.500% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% HA PRO 58 - HB2 SER 37 12.500% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA LEU 40 - HB2 SER 37 12.500% * 0.0240% (0.24 1.0 1.00 0.02 0.12) = 0.024% Peak 342 (4.03, 4.03, 64.19 ppm): 1 diagonal assignment: * HB2 SER 37 - HB2 SER 37 (1.00) kept Peak 343 (3.88, 4.03, 64.19 ppm): 6 chemical-shift based assignments, quality = 0.764, support = 1.92, residual support = 24.7: * O T HB3 SER 37 - HB2 SER 37 16.667% * 95.0856% (0.77 10.0 10.00 2.00 25.95) = 95.086% kept HB THR 39 - HB2 SER 37 16.667% * 2.6614% (0.58 1.0 1.00 0.74 2.58) = 2.661% kept HB THR 118 - HB2 SER 37 16.667% * 1.4736% (1.00 1.0 1.00 0.24 0.02) = 1.474% kept T QB SER 13 - HB2 SER 37 16.667% * 0.6581% (0.53 1.0 10.00 0.02 0.02) = 0.658% HA ILE 89 - HB2 SER 37 16.667% * 0.0951% (0.77 1.0 1.00 0.02 0.02) = 0.095% HB3 SER 82 - HB2 SER 37 16.667% * 0.0262% (0.21 1.0 1.00 0.02 0.02) = 0.026% Peak 344 (4.42, 3.88, 64.19 ppm): 16 chemical-shift based assignments, quality = 0.631, support = 2.17, residual support = 20.6: * O T HA SER 37 - HB3 SER 37 6.250% * 74.9835% (0.77 10.0 10.00 2.31 25.95) = 74.984% kept O T HA SER 13 - QB SER 13 6.250% * 22.6024% (0.23 10.0 10.00 1.93 4.86) = 22.602% kept T HA THR 46 - HB3 SER 37 6.250% * 0.7403% (0.76 1.0 10.00 0.02 0.02) = 0.740% T HA SER 37 - QB SER 13 6.250% * 0.5128% (0.53 1.0 10.00 0.02 0.02) = 0.513% T HA THR 46 - QB SER 13 6.250% * 0.5063% (0.52 1.0 10.00 0.02 0.02) = 0.506% T HA SER 13 - HB3 SER 37 6.250% * 0.3305% (0.34 1.0 10.00 0.02 0.02) = 0.331% HA GLN 17 - HB3 SER 37 6.250% * 0.0750% (0.77 1.0 1.00 0.02 0.02) = 0.075% HA GLN 17 - QB SER 13 6.250% * 0.0513% (0.53 1.0 1.00 0.02 0.02) = 0.051% HA VAL 42 - HB3 SER 37 6.250% * 0.0365% (0.38 1.0 1.00 0.02 0.02) = 0.036% HA GLU- 15 - HB3 SER 37 6.250% * 0.0331% (0.34 1.0 1.00 0.02 0.02) = 0.033% HA PRO 58 - HB3 SER 37 6.250% * 0.0297% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA VAL 42 - QB SER 13 6.250% * 0.0250% (0.26 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 15 - QB SER 13 6.250% * 0.0226% (0.23 1.0 1.00 0.02 0.02) = 0.023% HA PRO 58 - QB SER 13 6.250% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% HA LEU 40 - HB3 SER 37 6.250% * 0.0183% (0.19 1.0 1.00 0.02 0.12) = 0.018% HA LEU 40 - QB SER 13 6.250% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 345 (4.03, 3.88, 64.19 ppm): 8 chemical-shift based assignments, quality = 0.76, support = 1.97, residual support = 25.6: * O T HB2 SER 37 - HB3 SER 37 12.500% * 98.5507% (0.77 10.0 10.00 2.00 25.95) = 98.551% kept T HB2 SER 37 - QB SER 13 12.500% * 0.6739% (0.53 1.0 10.00 0.02 0.02) = 0.674% T HA VAL 70 - HB3 SER 37 12.500% * 0.3494% (0.27 1.0 10.00 0.02 0.02) = 0.349% T HA VAL 70 - QB SER 13 12.500% * 0.2390% (0.19 1.0 10.00 0.02 0.02) = 0.239% HA1 GLY 16 - HB3 SER 37 12.500% * 0.0760% (0.60 1.0 1.00 0.02 0.02) = 0.076% HA1 GLY 16 - QB SER 13 12.500% * 0.0520% (0.41 1.0 1.00 0.02 0.02) = 0.052% HA GLN 116 - HB3 SER 37 12.500% * 0.0349% (0.27 1.0 1.00 0.02 0.02) = 0.035% HA GLN 116 - QB SER 13 12.500% * 0.0239% (0.19 1.0 1.00 0.02 0.02) = 0.024% Peak 346 (3.88, 3.88, 64.19 ppm): 2 diagonal assignments: * HB3 SER 37 - HB3 SER 37 (0.60) kept QB SER 13 - QB SER 13 (0.28) kept Peak 347 (3.78, 3.78, 58.04 ppm): 1 diagonal assignment: * HA LYS+ 38 - HA LYS+ 38 (1.00) kept Peak 348 (2.18, 3.78, 58.04 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.38, residual support = 192.0: * O T HB2 LYS+ 38 - HA LYS+ 38 16.667% * 99.8415% (1.00 10.0 10.00 6.39 192.34) = 99.841% kept HG3 GLU- 29 - HA LYS+ 38 16.667% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB2 GLN 90 - HA LYS+ 38 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB2 GLU- 25 - HA LYS+ 38 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 29 - HA LYS+ 38 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% QG GLN 17 - HA LYS+ 38 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 349 (1.88, 3.78, 58.04 ppm): 12 chemical-shift based assignments, quality = 0.931, support = 4.9, residual support = 164.8: * O T HB3 LYS+ 38 - HA LYS+ 38 8.333% * 85.6783% (1.00 10.0 10.00 5.62 192.34) = 85.678% kept T HB3 PRO 58 - HA LYS+ 38 8.333% * 13.9205% (0.53 1.0 10.00 0.61 0.02) = 13.921% kept HB ILE 56 - HA LYS+ 38 8.333% * 0.0814% (0.95 1.0 1.00 0.02 0.02) = 0.081% HB3 GLN 30 - HA LYS+ 38 8.333% * 0.0791% (0.92 1.0 1.00 0.02 0.02) = 0.079% HB2 MET 92 - HA LYS+ 38 8.333% * 0.0661% (0.77 1.0 1.00 0.02 0.02) = 0.066% QB LYS+ 106 - HA LYS+ 38 8.333% * 0.0417% (0.49 1.0 1.00 0.02 0.02) = 0.042% QB LYS+ 81 - HA LYS+ 38 8.333% * 0.0378% (0.44 1.0 1.00 0.02 0.02) = 0.038% HB3 GLN 90 - HA LYS+ 38 8.333% * 0.0304% (0.35 1.0 1.00 0.02 0.02) = 0.030% QB LYS+ 33 - HA LYS+ 38 8.333% * 0.0238% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 105 - HA LYS+ 38 8.333% * 0.0158% (0.18 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 54 - HA LYS+ 38 8.333% * 0.0136% (0.16 1.0 1.00 0.02 0.39) = 0.014% HB ILE 103 - HA LYS+ 38 8.333% * 0.0116% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 350 (1.32, 3.78, 58.04 ppm): 9 chemical-shift based assignments, quality = 0.985, support = 6.43, residual support = 187.3: * O T HG2 LYS+ 38 - HA LYS+ 38 11.111% * 97.3743% (1.00 10.0 10.00 6.60 192.34) = 97.374% kept QB ALA 88 - HA LYS+ 38 11.111% * 1.4225% (0.77 1.0 1.00 0.38 0.02) = 1.422% kept T HG2 LYS+ 99 - HA LYS+ 38 11.111% * 0.9461% (0.97 1.0 10.00 0.02 0.73) = 0.946% HG2 LYS+ 111 - HA LYS+ 38 11.111% * 0.0707% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB2 LEU 31 - HA LYS+ 38 11.111% * 0.0614% (0.63 1.0 1.00 0.02 0.02) = 0.061% HB3 LEU 80 - HA LYS+ 38 11.111% * 0.0429% (0.44 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 77 - HA LYS+ 38 11.111% * 0.0307% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 63 - HA LYS+ 38 11.111% * 0.0307% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 ASP- 44 - HA LYS+ 38 11.111% * 0.0207% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 351 (1.26, 3.78, 58.04 ppm): 10 chemical-shift based assignments, quality = 0.97, support = 6.16, residual support = 159.3: * O T HG3 LYS+ 38 - HA LYS+ 38 10.000% * 81.2721% (1.00 10.0 10.00 6.84 192.34) = 81.272% kept QG2 THR 39 - HA LYS+ 38 10.000% * 14.1964% (0.85 1.0 1.00 4.09 21.30) = 14.196% kept QG2 ILE 56 - HA LYS+ 38 10.000% * 2.7105% (0.92 1.0 1.00 0.72 0.02) = 2.711% kept QB ALA 34 - HA LYS+ 38 10.000% * 1.4596% (0.73 1.0 1.00 0.49 0.02) = 1.460% kept T HG3 LYS+ 99 - HA LYS+ 38 10.000% * 0.1982% (0.24 1.0 10.00 0.02 0.73) = 0.198% QB ALA 91 - HA LYS+ 38 10.000% * 0.0695% (0.85 1.0 1.00 0.02 0.02) = 0.069% HG13 ILE 19 - HA LYS+ 38 10.000% * 0.0358% (0.44 1.0 1.00 0.02 0.02) = 0.036% QG2 THR 23 - HA LYS+ 38 10.000% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% HG2 LYS+ 74 - HA LYS+ 38 10.000% * 0.0173% (0.21 1.0 1.00 0.02 0.02) = 0.017% HG LEU 71 - HA LYS+ 38 10.000% * 0.0150% (0.18 1.0 1.00 0.02 0.02) = 0.015% Peak 352 (1.67, 3.78, 58.04 ppm): 9 chemical-shift based assignments, quality = 0.984, support = 5.65, residual support = 189.2: * T QD LYS+ 38 - HA LYS+ 38 11.111% * 98.3927% (1.00 10.00 5.74 192.34) = 98.393% kept T QD LYS+ 65 - HA LYS+ 38 11.111% * 0.8769% (0.89 10.00 0.02 0.02) = 0.877% T HD2 LYS+ 74 - HA LYS+ 38 11.111% * 0.2091% (0.21 10.00 0.02 0.02) = 0.209% T HD2 LYS+ 111 - HA LYS+ 38 11.111% * 0.1810% (0.18 10.00 0.02 0.02) = 0.181% HB VAL 83 - HA LYS+ 38 11.111% * 0.0935% (0.95 1.00 0.02 0.02) = 0.093% HB2 LYS+ 121 - HA LYS+ 38 11.111% * 0.0841% (0.85 1.00 0.02 0.02) = 0.084% QD LYS+ 102 - HA LYS+ 38 11.111% * 0.0714% (0.73 1.00 0.02 0.59) = 0.071% HG3 PRO 93 - HA LYS+ 38 11.111% * 0.0479% (0.49 1.00 0.02 0.02) = 0.048% HB2 LEU 123 - HA LYS+ 38 11.111% * 0.0434% (0.44 1.00 0.02 0.02) = 0.043% Peak 353 (3.78, 2.18, 29.57 ppm): 2 chemical-shift based assignments, quality = 0.992, support = 6.35, residual support = 190.9: * O T HA LYS+ 38 - HB2 LYS+ 38 50.000% * 99.2394% (1.00 10.0 10.00 6.39 192.34) = 99.239% kept HA VAL 24 - HB2 LYS+ 38 50.000% * 0.7606% (0.53 1.0 1.00 0.29 0.02) = 0.761% Peak 354 (2.18, 2.18, 29.57 ppm): 1 diagonal assignment: * HB2 LYS+ 38 - HB2 LYS+ 38 (1.00) kept Peak 355 (1.88, 2.18, 29.57 ppm): 12 chemical-shift based assignments, quality = 0.995, support = 5.52, residual support = 191.3: * O T HB3 LYS+ 38 - HB2 LYS+ 38 8.333% * 99.4810% (1.00 10.0 10.00 5.55 192.34) = 99.481% kept HB ILE 56 - HB2 LYS+ 38 8.333% * 0.0945% (0.95 1.0 1.00 0.02 0.02) = 0.095% HB3 GLN 30 - HB2 LYS+ 38 8.333% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 MET 92 - HB2 LYS+ 38 8.333% * 0.0768% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB3 PRO 58 - HB2 LYS+ 38 8.333% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 106 - HB2 LYS+ 38 8.333% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% QB LYS+ 81 - HB2 LYS+ 38 8.333% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 GLN 90 - HB2 LYS+ 38 8.333% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB LYS+ 33 - HB2 LYS+ 38 8.333% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 ASP- 105 - HB2 LYS+ 38 8.333% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG2 ARG+ 54 - HB2 LYS+ 38 8.333% * 0.0157% (0.16 1.0 1.00 0.02 0.39) = 0.016% HB ILE 103 - HB2 LYS+ 38 8.333% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 356 (1.32, 2.18, 29.57 ppm): 9 chemical-shift based assignments, quality = 0.983, support = 6.24, residual support = 185.7: * O T HG2 LYS+ 38 - HB2 LYS+ 38 11.111% * 96.5463% (1.00 10.0 10.00 6.45 192.34) = 96.546% kept QB ALA 88 - HB2 LYS+ 38 11.111% * 2.2607% (0.77 1.0 1.00 0.61 0.02) = 2.261% kept T HG2 LYS+ 99 - HB2 LYS+ 38 11.111% * 0.9381% (0.97 1.0 10.00 0.02 0.73) = 0.938% HG2 LYS+ 111 - HB2 LYS+ 38 11.111% * 0.0701% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 31 - HB2 LYS+ 38 11.111% * 0.0609% (0.63 1.0 1.00 0.02 0.02) = 0.061% HB3 LEU 80 - HB2 LYS+ 38 11.111% * 0.0426% (0.44 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 77 - HB2 LYS+ 38 11.111% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 63 - HB2 LYS+ 38 11.111% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB3 ASP- 44 - HB2 LYS+ 38 11.111% * 0.0205% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 357 (1.26, 2.18, 29.57 ppm): 10 chemical-shift based assignments, quality = 0.976, support = 5.51, residual support = 169.2: * O T HG3 LYS+ 38 - HB2 LYS+ 38 10.000% * 86.5291% (1.00 10.0 10.00 5.85 192.34) = 86.529% kept QG2 THR 39 - HB2 LYS+ 38 10.000% * 12.9435% (0.85 1.0 1.00 3.50 21.30) = 12.943% kept T HG3 LYS+ 99 - HB2 LYS+ 38 10.000% * 0.2110% (0.24 1.0 10.00 0.02 0.73) = 0.211% QG2 ILE 56 - HB2 LYS+ 38 10.000% * 0.0799% (0.92 1.0 1.00 0.02 0.02) = 0.080% QB ALA 91 - HB2 LYS+ 38 10.000% * 0.0740% (0.85 1.0 1.00 0.02 0.02) = 0.074% QB ALA 34 - HB2 LYS+ 38 10.000% * 0.0628% (0.73 1.0 1.00 0.02 0.02) = 0.063% HG13 ILE 19 - HB2 LYS+ 38 10.000% * 0.0381% (0.44 1.0 1.00 0.02 0.02) = 0.038% QG2 THR 23 - HB2 LYS+ 38 10.000% * 0.0273% (0.31 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 74 - HB2 LYS+ 38 10.000% * 0.0184% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG LEU 71 - HB2 LYS+ 38 10.000% * 0.0159% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 359 (3.78, 1.88, 29.57 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 191.7: * O T HA LYS+ 38 - HB3 LYS+ 38 50.000% * 99.6855% (1.00 10.0 10.00 5.62 192.34) = 99.686% kept HA VAL 24 - HB3 LYS+ 38 50.000% * 0.3145% (0.53 1.0 1.00 0.12 0.02) = 0.314% Peak 360 (2.18, 1.88, 29.57 ppm): 6 chemical-shift based assignments, quality = 0.995, support = 5.52, residual support = 191.3: * O T HB2 LYS+ 38 - HB3 LYS+ 38 16.667% * 99.4869% (1.00 10.0 10.00 5.55 192.34) = 99.487% kept T HB2 GLN 90 - HB3 LYS+ 38 16.667% * 0.3946% (0.40 1.0 10.00 0.02 0.02) = 0.395% HG3 GLU- 29 - HB3 LYS+ 38 16.667% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB2 GLU- 25 - HB3 LYS+ 38 16.667% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 29 - HB3 LYS+ 38 16.667% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% QG GLN 17 - HB3 LYS+ 38 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 361 (1.88, 1.88, 29.57 ppm): 1 diagonal assignment: * HB3 LYS+ 38 - HB3 LYS+ 38 (1.00) kept Peak 362 (1.32, 1.88, 29.57 ppm): 9 chemical-shift based assignments, quality = 0.983, support = 5.5, residual support = 189.1: * O T HG2 LYS+ 38 - HB3 LYS+ 38 11.111% * 98.3236% (1.00 10.0 10.00 5.60 192.34) = 98.324% kept T HG2 LYS+ 99 - HB3 LYS+ 38 11.111% * 0.9553% (0.97 1.0 10.00 0.02 0.73) = 0.955% QB ALA 88 - HB3 LYS+ 38 11.111% * 0.4615% (0.77 1.0 1.00 0.12 0.02) = 0.462% HG2 LYS+ 111 - HB3 LYS+ 38 11.111% * 0.0714% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB2 LEU 31 - HB3 LYS+ 38 11.111% * 0.0620% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB3 LEU 80 - HB3 LYS+ 38 11.111% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% QG2 THR 77 - HB3 LYS+ 38 11.111% * 0.0310% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 63 - HB3 LYS+ 38 11.111% * 0.0310% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 ASP- 44 - HB3 LYS+ 38 11.111% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 363 (1.26, 1.88, 29.57 ppm): 10 chemical-shift based assignments, quality = 0.97, support = 4.93, residual support = 168.7: * O T HG3 LYS+ 38 - HB3 LYS+ 38 10.000% * 86.3121% (1.00 10.0 10.00 5.23 192.34) = 86.312% kept QG2 THR 39 - HB3 LYS+ 38 10.000% * 12.4447% (0.85 1.0 1.00 3.37 21.30) = 12.445% kept T QG2 ILE 56 - HB3 LYS+ 38 10.000% * 0.7968% (0.92 1.0 10.00 0.02 0.02) = 0.797% T HG3 LYS+ 99 - HB3 LYS+ 38 10.000% * 0.2105% (0.24 1.0 10.00 0.02 0.73) = 0.210% QB ALA 91 - HB3 LYS+ 38 10.000% * 0.0738% (0.85 1.0 1.00 0.02 0.02) = 0.074% QB ALA 34 - HB3 LYS+ 38 10.000% * 0.0627% (0.73 1.0 1.00 0.02 0.02) = 0.063% HG13 ILE 19 - HB3 LYS+ 38 10.000% * 0.0380% (0.44 1.0 1.00 0.02 0.02) = 0.038% QG2 THR 23 - HB3 LYS+ 38 10.000% * 0.0272% (0.31 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 74 - HB3 LYS+ 38 10.000% * 0.0183% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG LEU 71 - HB3 LYS+ 38 10.000% * 0.0159% (0.18 1.0 1.00 0.02 0.02) = 0.016% Peak 364 (1.67, 1.88, 29.57 ppm): 9 chemical-shift based assignments, quality = 0.984, support = 4.56, residual support = 189.2: * O T QD LYS+ 38 - HB3 LYS+ 38 11.111% * 98.3927% (1.00 10.0 10.00 4.63 192.34) = 98.393% kept T QD LYS+ 65 - HB3 LYS+ 38 11.111% * 0.8769% (0.89 1.0 10.00 0.02 0.02) = 0.877% T HD2 LYS+ 74 - HB3 LYS+ 38 11.111% * 0.2091% (0.21 1.0 10.00 0.02 0.02) = 0.209% T HD2 LYS+ 111 - HB3 LYS+ 38 11.111% * 0.1810% (0.18 1.0 10.00 0.02 0.02) = 0.181% HB VAL 83 - HB3 LYS+ 38 11.111% * 0.0935% (0.95 1.0 1.00 0.02 0.02) = 0.093% HB2 LYS+ 121 - HB3 LYS+ 38 11.111% * 0.0841% (0.85 1.0 1.00 0.02 0.02) = 0.084% QD LYS+ 102 - HB3 LYS+ 38 11.111% * 0.0714% (0.73 1.0 1.00 0.02 0.59) = 0.071% HG3 PRO 93 - HB3 LYS+ 38 11.111% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 LEU 123 - HB3 LYS+ 38 11.111% * 0.0434% (0.44 1.0 1.00 0.02 0.02) = 0.043% Peak 365 (3.78, 1.32, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 6.56, residual support = 191.2: * O T HA LYS+ 38 - HG2 LYS+ 38 25.000% * 99.4035% (1.00 10.0 10.00 6.60 192.34) = 99.404% kept HA VAL 24 - HG2 LYS+ 38 25.000% * 0.3136% (0.53 1.0 1.00 0.12 0.02) = 0.314% T HA LYS+ 38 - HG2 LYS+ 99 25.000% * 0.2685% (0.27 1.0 10.00 0.02 0.73) = 0.269% HA VAL 24 - HG2 LYS+ 99 25.000% * 0.0143% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 366 (2.18, 1.32, 25.69 ppm): 12 chemical-shift based assignments, quality = 0.989, support = 6.38, residual support = 190.3: * O T HB2 LYS+ 38 - HG2 LYS+ 38 8.333% * 98.9168% (1.00 10.0 10.00 6.45 192.34) = 98.917% kept HB2 GLN 90 - HG2 LYS+ 38 8.333% * 0.6557% (0.40 1.0 1.00 0.33 0.02) = 0.656% T HB2 LYS+ 38 - HG2 LYS+ 99 8.333% * 0.2672% (0.27 1.0 10.00 0.02 0.73) = 0.267% HG3 GLU- 29 - HG2 LYS+ 38 8.333% * 0.0624% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB2 GLU- 25 - HG2 LYS+ 38 8.333% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 29 - HG2 LYS+ 38 8.333% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 29 - HG2 LYS+ 99 8.333% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% QG GLN 17 - HG2 LYS+ 38 8.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB2 GLN 90 - HG2 LYS+ 99 8.333% * 0.0106% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 GLU- 25 - HG2 LYS+ 99 8.333% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLU- 29 - HG2 LYS+ 99 8.333% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% QG GLN 17 - HG2 LYS+ 99 8.333% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 367 (1.88, 1.32, 25.69 ppm): 24 chemical-shift based assignments, quality = 0.991, support = 5.54, residual support = 190.6: * O T HB3 LYS+ 38 - HG2 LYS+ 38 4.167% * 99.0759% (1.00 10.0 10.00 5.60 192.34) = 99.076% kept T HB3 LYS+ 38 - HG2 LYS+ 99 4.167% * 0.2676% (0.27 1.0 10.00 0.02 0.73) = 0.268% HB ILE 56 - HG2 LYS+ 38 4.167% * 0.0941% (0.95 1.0 1.00 0.02 0.02) = 0.094% HB3 GLN 30 - HG2 LYS+ 38 4.167% * 0.0915% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 MET 92 - HG2 LYS+ 38 4.167% * 0.0765% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 58 - HG2 LYS+ 38 4.167% * 0.0529% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 106 - HG2 LYS+ 38 4.167% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% QB LYS+ 81 - HG2 LYS+ 38 4.167% * 0.0437% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 GLN 90 - HG2 LYS+ 38 4.167% * 0.0351% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB LYS+ 33 - HG2 LYS+ 38 4.167% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB ILE 56 - HG2 LYS+ 99 4.167% * 0.0254% (0.26 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 30 - HG2 LYS+ 99 4.167% * 0.0247% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB2 MET 92 - HG2 LYS+ 99 4.167% * 0.0207% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 ASP- 105 - HG2 LYS+ 38 4.167% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG2 ARG+ 54 - HG2 LYS+ 38 4.167% * 0.0157% (0.16 1.0 1.00 0.02 0.39) = 0.016% HB3 PRO 58 - HG2 LYS+ 99 4.167% * 0.0143% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB ILE 103 - HG2 LYS+ 38 4.167% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% QB LYS+ 106 - HG2 LYS+ 99 4.167% * 0.0130% (0.13 1.0 1.00 0.02 0.02) = 0.013% QB LYS+ 81 - HG2 LYS+ 99 4.167% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB3 GLN 90 - HG2 LYS+ 99 4.167% * 0.0095% (0.10 1.0 1.00 0.02 0.02) = 0.009% QB LYS+ 33 - HG2 LYS+ 99 4.167% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 ASP- 105 - HG2 LYS+ 99 4.167% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG2 ARG+ 54 - HG2 LYS+ 99 4.167% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB ILE 103 - HG2 LYS+ 99 4.167% * 0.0036% (0.04 1.0 1.00 0.02 0.57) = 0.004% Peak 368 (1.32, 1.32, 25.69 ppm): 2 diagonal assignments: * HG2 LYS+ 38 - HG2 LYS+ 38 (1.00) kept HG2 LYS+ 99 - HG2 LYS+ 99 (0.26) kept Peak 369 (1.26, 1.32, 25.69 ppm): 20 chemical-shift based assignments, quality = 0.881, support = 5.79, residual support = 155.9: * O T HG3 LYS+ 38 - HG2 LYS+ 38 5.000% * 75.9510% (1.00 10.0 10.00 6.62 192.34) = 75.951% kept QG2 THR 39 - HG2 LYS+ 38 5.000% * 11.9209% (0.85 1.0 1.00 3.67 21.30) = 11.921% kept O T HG3 LYS+ 99 - HG2 LYS+ 99 5.000% * 5.0033% (0.07 10.0 10.00 5.99 143.60) = 5.003% kept T HG3 LYS+ 99 - HG2 LYS+ 38 5.000% * 4.0903% (0.24 1.0 10.00 0.44 0.73) = 4.090% kept T HG3 LYS+ 38 - HG2 LYS+ 99 5.000% * 2.4798% (0.27 1.0 10.00 0.24 0.73) = 2.480% kept T HG2 LYS+ 74 - HG2 LYS+ 38 5.000% * 0.1614% (0.21 1.0 10.00 0.02 0.02) = 0.161% QG2 ILE 56 - HG2 LYS+ 38 5.000% * 0.0701% (0.92 1.0 1.00 0.02 0.02) = 0.070% QB ALA 91 - HG2 LYS+ 38 5.000% * 0.0649% (0.85 1.0 1.00 0.02 0.02) = 0.065% QB ALA 34 - HG2 LYS+ 38 5.000% * 0.0552% (0.73 1.0 1.00 0.02 0.02) = 0.055% T HG2 LYS+ 74 - HG2 LYS+ 99 5.000% * 0.0436% (0.06 1.0 10.00 0.02 0.02) = 0.044% HG13 ILE 19 - HG2 LYS+ 38 5.000% * 0.0335% (0.44 1.0 1.00 0.02 0.02) = 0.033% QG2 THR 23 - HG2 LYS+ 38 5.000% * 0.0239% (0.31 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 56 - HG2 LYS+ 99 5.000% * 0.0189% (0.25 1.0 1.00 0.02 0.02) = 0.019% QB ALA 91 - HG2 LYS+ 99 5.000% * 0.0175% (0.23 1.0 1.00 0.02 0.02) = 0.018% QG2 THR 39 - HG2 LYS+ 99 5.000% * 0.0175% (0.23 1.0 1.00 0.02 0.02) = 0.018% QB ALA 34 - HG2 LYS+ 99 5.000% * 0.0149% (0.20 1.0 1.00 0.02 0.02) = 0.015% HG LEU 71 - HG2 LYS+ 38 5.000% * 0.0140% (0.18 1.0 1.00 0.02 0.02) = 0.014% HG13 ILE 19 - HG2 LYS+ 99 5.000% * 0.0090% (0.12 1.0 1.00 0.02 0.02) = 0.009% QG2 THR 23 - HG2 LYS+ 99 5.000% * 0.0065% (0.09 1.0 1.00 0.02 0.02) = 0.006% HG LEU 71 - HG2 LYS+ 99 5.000% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 370 (1.67, 1.32, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.969, support = 5.51, residual support = 186.4: * O T QD LYS+ 38 - HG2 LYS+ 38 5.556% * 96.9226% (1.00 10.0 10.00 5.68 192.34) = 96.923% kept T QD LYS+ 65 - HG2 LYS+ 38 5.556% * 0.8638% (0.89 1.0 10.00 0.02 0.02) = 0.864% T QD LYS+ 102 - HG2 LYS+ 38 5.556% * 0.7038% (0.73 1.0 10.00 0.02 0.59) = 0.704% T QD LYS+ 38 - HG2 LYS+ 99 5.556% * 0.2618% (0.27 1.0 10.00 0.02 0.73) = 0.262% T QD LYS+ 65 - HG2 LYS+ 99 5.556% * 0.2333% (0.24 1.0 10.00 0.02 0.02) = 0.233% T HD2 LYS+ 74 - HG2 LYS+ 38 5.556% * 0.2060% (0.21 1.0 10.00 0.02 0.02) = 0.206% T QD LYS+ 102 - HG2 LYS+ 99 5.556% * 0.1901% (0.20 1.0 10.00 0.02 0.45) = 0.190% T HD2 LYS+ 111 - HG2 LYS+ 38 5.556% * 0.1783% (0.18 1.0 10.00 0.02 0.02) = 0.178% HB VAL 83 - HG2 LYS+ 38 5.556% * 0.0921% (0.95 1.0 1.00 0.02 0.02) = 0.092% HB2 LYS+ 121 - HG2 LYS+ 38 5.556% * 0.0829% (0.85 1.0 1.00 0.02 0.02) = 0.083% T HD2 LYS+ 74 - HG2 LYS+ 99 5.556% * 0.0556% (0.06 1.0 10.00 0.02 0.02) = 0.056% T HD2 LYS+ 111 - HG2 LYS+ 99 5.556% * 0.0482% (0.05 1.0 10.00 0.02 0.02) = 0.048% HG3 PRO 93 - HG2 LYS+ 38 5.556% * 0.0472% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB2 LEU 123 - HG2 LYS+ 38 5.556% * 0.0427% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB VAL 83 - HG2 LYS+ 99 5.556% * 0.0249% (0.26 1.0 1.00 0.02 0.02) = 0.025% HB2 LYS+ 121 - HG2 LYS+ 99 5.556% * 0.0224% (0.23 1.0 1.00 0.02 0.02) = 0.022% HG3 PRO 93 - HG2 LYS+ 99 5.556% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 123 - HG2 LYS+ 99 5.556% * 0.0115% (0.12 1.0 1.00 0.02 0.02) = 0.012% Peak 371 (3.78, 1.26, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 6.78, residual support = 190.8: * O T HA LYS+ 38 - HG3 LYS+ 38 25.000% * 99.2227% (1.00 10.0 10.00 6.84 192.34) = 99.223% kept HA VAL 24 - HG3 LYS+ 38 25.000% * 0.7064% (0.53 1.0 1.00 0.27 0.02) = 0.706% T HA LYS+ 38 - HG3 LYS+ 99 25.000% * 0.0673% (0.07 1.0 10.00 0.02 0.73) = 0.067% HA VAL 24 - HG3 LYS+ 99 25.000% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 372 (2.18, 1.26, 25.69 ppm): 12 chemical-shift based assignments, quality = 0.998, support = 5.84, residual support = 191.9: * O T HB2 LYS+ 38 - HG3 LYS+ 38 8.333% * 99.7632% (1.00 10.0 10.00 5.85 192.34) = 99.763% kept T HB2 LYS+ 38 - HG3 LYS+ 99 8.333% * 0.0676% (0.07 1.0 10.00 0.02 0.73) = 0.068% HG3 GLU- 29 - HG3 LYS+ 38 8.333% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB2 GLN 90 - HG3 LYS+ 38 8.333% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB2 GLU- 25 - HG3 LYS+ 38 8.333% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 GLU- 29 - HG3 LYS+ 38 8.333% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% QG GLN 17 - HG3 LYS+ 38 8.333% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG3 GLU- 29 - HG3 LYS+ 99 8.333% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 GLN 90 - HG3 LYS+ 99 8.333% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 GLU- 25 - HG3 LYS+ 99 8.333% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 GLU- 29 - HG3 LYS+ 99 8.333% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% QG GLN 17 - HG3 LYS+ 99 8.333% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 373 (1.88, 1.26, 25.69 ppm): 24 chemical-shift based assignments, quality = 0.993, support = 4.96, residual support = 182.2: * O T HB3 LYS+ 38 - HG3 LYS+ 38 4.167% * 94.7483% (1.00 10.0 10.00 5.23 192.34) = 94.748% kept T HB ILE 56 - HG3 LYS+ 38 4.167% * 4.7497% (0.95 1.0 10.00 0.11 0.02) = 4.750% kept HB3 GLN 30 - HG3 LYS+ 38 4.167% * 0.0875% (0.92 1.0 1.00 0.02 0.02) = 0.087% HB2 MET 92 - HG3 LYS+ 38 4.167% * 0.0731% (0.77 1.0 1.00 0.02 0.02) = 0.073% T HB3 LYS+ 38 - HG3 LYS+ 99 4.167% * 0.0642% (0.07 1.0 10.00 0.02 0.73) = 0.064% HB3 PRO 58 - HG3 LYS+ 38 4.167% * 0.0506% (0.53 1.0 1.00 0.02 0.02) = 0.051% QB LYS+ 106 - HG3 LYS+ 38 4.167% * 0.0461% (0.49 1.0 1.00 0.02 0.02) = 0.046% QB LYS+ 81 - HG3 LYS+ 38 4.167% * 0.0418% (0.44 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 90 - HG3 LYS+ 38 4.167% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% QB LYS+ 33 - HG3 LYS+ 38 4.167% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 ASP- 105 - HG3 LYS+ 38 4.167% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% HG2 ARG+ 54 - HG3 LYS+ 38 4.167% * 0.0150% (0.16 1.0 1.00 0.02 0.39) = 0.015% HB ILE 103 - HG3 LYS+ 38 4.167% * 0.0128% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB ILE 56 - HG3 LYS+ 99 4.167% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 30 - HG3 LYS+ 99 4.167% * 0.0059% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 MET 92 - HG3 LYS+ 99 4.167% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 58 - HG3 LYS+ 99 4.167% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB LYS+ 106 - HG3 LYS+ 99 4.167% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB LYS+ 81 - HG3 LYS+ 99 4.167% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 GLN 90 - HG3 LYS+ 99 4.167% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LYS+ 33 - HG3 LYS+ 99 4.167% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 ASP- 105 - HG3 LYS+ 99 4.167% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG2 ARG+ 54 - HG3 LYS+ 99 4.167% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB ILE 103 - HG3 LYS+ 99 4.167% * 0.0009% (0.01 1.0 1.00 0.02 0.57) = 0.001% Peak 374 (1.32, 1.26, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.929, support = 5.79, residual support = 165.9: * O T HG2 LYS+ 38 - HG3 LYS+ 38 5.556% * 82.1481% (1.00 10.0 10.00 6.62 192.34) = 82.148% kept T HG2 LYS+ 99 - HG3 LYS+ 38 5.556% * 9.6466% (0.97 1.0 10.00 0.24 0.73) = 9.647% kept O T HG2 LYS+ 99 - HG3 LYS+ 99 5.556% * 5.4115% (0.07 10.0 10.00 5.99 143.60) = 5.411% kept T HG2 LYS+ 38 - HG3 LYS+ 99 5.556% * 1.2301% (0.07 1.0 10.00 0.44 0.73) = 1.230% kept QB ALA 88 - HG3 LYS+ 38 5.556% * 1.1972% (0.77 1.0 1.00 0.38 0.02) = 1.197% kept QB ALA 88 - HG3 LYS+ 99 5.556% * 0.0985% (0.05 1.0 1.00 0.46 0.02) = 0.098% HG2 LYS+ 111 - HG3 LYS+ 38 5.556% * 0.0597% (0.73 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 31 - HG3 LYS+ 38 5.556% * 0.0518% (0.63 1.0 1.00 0.02 0.02) = 0.052% T HG2 LYS+ 111 - HG3 LYS+ 99 5.556% * 0.0404% (0.05 1.0 10.00 0.02 0.02) = 0.040% HB3 LEU 80 - HG3 LYS+ 38 5.556% * 0.0362% (0.44 1.0 1.00 0.02 0.02) = 0.036% QG2 THR 77 - HG3 LYS+ 38 5.556% * 0.0259% (0.31 1.0 1.00 0.02 0.02) = 0.026% HB2 LEU 63 - HG3 LYS+ 38 5.556% * 0.0259% (0.31 1.0 1.00 0.02 0.02) = 0.026% HB3 ASP- 44 - HG3 LYS+ 38 5.556% * 0.0175% (0.21 1.0 1.00 0.02 0.02) = 0.017% HB2 LEU 31 - HG3 LYS+ 99 5.556% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 80 - HG3 LYS+ 99 5.556% * 0.0025% (0.03 1.0 1.00 0.02 0.10) = 0.002% QG2 THR 77 - HG3 LYS+ 99 5.556% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 LEU 63 - HG3 LYS+ 99 5.556% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 ASP- 44 - HG3 LYS+ 99 5.556% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 375 (1.26, 1.26, 25.69 ppm): 2 diagonal assignments: * HG3 LYS+ 38 - HG3 LYS+ 38 (1.00) kept HG3 LYS+ 99 - HG3 LYS+ 99 (0.02) kept Peak 376 (1.67, 1.26, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.982, support = 5.53, residual support = 188.8: * O T QD LYS+ 38 - HG3 LYS+ 38 5.556% * 98.1774% (1.00 10.0 10.00 5.64 192.34) = 98.177% kept T QD LYS+ 65 - HG3 LYS+ 38 5.556% * 0.8749% (0.89 1.0 10.00 0.02 0.02) = 0.875% T HD2 LYS+ 74 - HG3 LYS+ 38 5.556% * 0.2086% (0.21 1.0 10.00 0.02 0.02) = 0.209% T HD2 LYS+ 111 - HG3 LYS+ 38 5.556% * 0.1806% (0.18 1.0 10.00 0.02 0.02) = 0.181% HB VAL 83 - HG3 LYS+ 38 5.556% * 0.0933% (0.95 1.0 1.00 0.02 0.02) = 0.093% HB2 LYS+ 121 - HG3 LYS+ 38 5.556% * 0.0839% (0.85 1.0 1.00 0.02 0.02) = 0.084% QD LYS+ 102 - HG3 LYS+ 38 5.556% * 0.0713% (0.73 1.0 1.00 0.02 0.59) = 0.071% T QD LYS+ 38 - HG3 LYS+ 99 5.556% * 0.0666% (0.07 1.0 10.00 0.02 0.73) = 0.067% T QD LYS+ 65 - HG3 LYS+ 99 5.556% * 0.0593% (0.06 1.0 10.00 0.02 0.02) = 0.059% T QD LYS+ 102 - HG3 LYS+ 99 5.556% * 0.0483% (0.05 1.0 10.00 0.02 0.45) = 0.048% HG3 PRO 93 - HG3 LYS+ 38 5.556% * 0.0478% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 LEU 123 - HG3 LYS+ 38 5.556% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% T HD2 LYS+ 74 - HG3 LYS+ 99 5.556% * 0.0141% (0.01 1.0 10.00 0.02 0.02) = 0.014% T HD2 LYS+ 111 - HG3 LYS+ 99 5.556% * 0.0122% (0.01 1.0 10.00 0.02 0.02) = 0.012% HB VAL 83 - HG3 LYS+ 99 5.556% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 121 - HG3 LYS+ 99 5.556% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 93 - HG3 LYS+ 99 5.556% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 123 - HG3 LYS+ 99 5.556% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 377 (3.78, 1.67, 29.90 ppm): 8 chemical-shift based assignments, quality = 0.993, support = 5.7, residual support = 191.0: * T HA LYS+ 38 - QD LYS+ 38 12.500% * 99.3123% (1.00 10.00 5.74 192.34) = 99.312% kept HA VAL 24 - QD LYS+ 38 12.500% * 0.3133% (0.53 1.00 0.12 0.02) = 0.313% T HA LYS+ 38 - QD LYS+ 65 12.500% * 0.1752% (0.18 10.00 0.02 0.02) = 0.175% T HA LYS+ 38 - HD2 LYS+ 74 12.500% * 0.1357% (0.14 10.00 0.02 0.02) = 0.136% T HA LYS+ 38 - HD2 LYS+ 111 12.500% * 0.0446% (0.04 10.00 0.02 0.02) = 0.045% HA VAL 24 - QD LYS+ 65 12.500% * 0.0094% (0.09 1.00 0.02 0.02) = 0.009% HA VAL 24 - HD2 LYS+ 74 12.500% * 0.0072% (0.07 1.00 0.02 0.02) = 0.007% HA VAL 24 - HD2 LYS+ 111 12.500% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% Peak 378 (2.18, 1.67, 29.90 ppm): 24 chemical-shift based assignments, quality = 0.997, support = 5.17, residual support = 191.9: * O HB2 LYS+ 38 - QD LYS+ 38 4.167% * 99.7493% (1.00 10.0 5.18 192.34) = 99.749% kept HG3 GLU- 29 - QD LYS+ 38 4.167% * 0.0629% (0.63 1.0 0.02 0.02) = 0.063% HB2 GLN 90 - QD LYS+ 38 4.167% * 0.0396% (0.40 1.0 0.02 0.02) = 0.040% HB2 GLU- 25 - QD LYS+ 38 4.167% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% HB3 GLU- 29 - QD LYS+ 38 4.167% * 0.0212% (0.21 1.0 0.02 0.02) = 0.021% HB2 LYS+ 38 - QD LYS+ 65 4.167% * 0.0176% (0.18 1.0 0.02 0.02) = 0.018% HB2 LYS+ 38 - HD2 LYS+ 74 4.167% * 0.0136% (0.14 1.0 0.02 0.02) = 0.014% QG GLN 17 - QD LYS+ 38 4.167% * 0.0135% (0.14 1.0 0.02 0.02) = 0.013% HG3 GLU- 29 - QD LYS+ 65 4.167% * 0.0111% (0.11 1.0 0.02 0.02) = 0.011% HG3 GLU- 29 - HD2 LYS+ 74 4.167% * 0.0086% (0.09 1.0 0.02 0.02) = 0.009% HB2 GLN 90 - QD LYS+ 65 4.167% * 0.0070% (0.07 1.0 0.02 0.02) = 0.007% HB2 GLN 90 - HD2 LYS+ 74 4.167% * 0.0054% (0.05 1.0 0.02 0.02) = 0.005% HB2 LYS+ 38 - HD2 LYS+ 111 4.167% * 0.0045% (0.04 1.0 0.02 0.02) = 0.004% HB2 GLU- 25 - QD LYS+ 65 4.167% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% HB3 GLU- 29 - QD LYS+ 65 4.167% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% HB2 GLU- 25 - HD2 LYS+ 74 4.167% * 0.0029% (0.03 1.0 0.02 0.02) = 0.003% HB3 GLU- 29 - HD2 LYS+ 74 4.167% * 0.0029% (0.03 1.0 0.02 0.02) = 0.003% HG3 GLU- 29 - HD2 LYS+ 111 4.167% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% QG GLN 17 - QD LYS+ 65 4.167% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% QG GLN 17 - HD2 LYS+ 74 4.167% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% HB2 GLN 90 - HD2 LYS+ 111 4.167% * 0.0018% (0.02 1.0 0.02 0.02) = 0.002% HB2 GLU- 25 - HD2 LYS+ 111 4.167% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% HB3 GLU- 29 - HD2 LYS+ 111 4.167% * 0.0010% (0.01 1.0 0.02 0.02) = 0.001% QG GLN 17 - HD2 LYS+ 111 4.167% * 0.0006% (0.01 1.0 0.02 0.02) = 0.001% Peak 379 (1.88, 1.67, 29.90 ppm): 48 chemical-shift based assignments, quality = 0.989, support = 4.58, residual support = 190.2: * O T HB3 LYS+ 38 - QD LYS+ 38 2.083% * 98.8924% (1.00 10.0 10.00 4.63 192.34) = 98.892% kept T HB3 LYS+ 38 - QD LYS+ 65 2.083% * 0.1744% (0.18 1.0 10.00 0.02 0.02) = 0.174% T HB3 LYS+ 38 - HD2 LYS+ 74 2.083% * 0.1351% (0.14 1.0 10.00 0.02 0.02) = 0.135% HB ILE 56 - QD LYS+ 38 2.083% * 0.0940% (0.95 1.0 1.00 0.02 0.02) = 0.094% HB3 GLN 30 - QD LYS+ 38 2.083% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 MET 92 - QD LYS+ 38 2.083% * 0.0763% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 PRO 58 - QD LYS+ 38 2.083% * 0.0528% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 106 - QD LYS+ 38 2.083% * 0.0481% (0.49 1.0 1.00 0.02 0.02) = 0.048% T HB3 LYS+ 38 - HD2 LYS+ 111 2.083% * 0.0444% (0.04 1.0 10.00 0.02 0.02) = 0.044% QB LYS+ 81 - QD LYS+ 38 2.083% * 0.0436% (0.44 1.0 1.00 0.02 0.02) = 0.044% T QB LYS+ 33 - HD2 LYS+ 74 2.083% * 0.0376% (0.04 1.0 10.00 0.02 0.02) = 0.038% HB3 GLN 90 - QD LYS+ 38 2.083% * 0.0351% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB LYS+ 33 - QD LYS+ 38 2.083% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% T QB LYS+ 106 - HD2 LYS+ 111 2.083% * 0.0216% (0.02 1.0 10.00 0.02 0.02) = 0.022% HB3 ASP- 105 - QD LYS+ 38 2.083% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB ILE 56 - QD LYS+ 65 2.083% * 0.0166% (0.17 1.0 1.00 0.02 4.85) = 0.017% HB3 GLN 30 - QD LYS+ 65 2.083% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 54 - QD LYS+ 38 2.083% * 0.0157% (0.16 1.0 1.00 0.02 0.39) = 0.016% HB2 MET 92 - QD LYS+ 65 2.083% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB ILE 103 - QD LYS+ 38 2.083% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB ILE 56 - HD2 LYS+ 74 2.083% * 0.0128% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 GLN 30 - HD2 LYS+ 74 2.083% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 MET 92 - HD2 LYS+ 74 2.083% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 58 - QD LYS+ 65 2.083% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% QB LYS+ 106 - QD LYS+ 65 2.083% * 0.0085% (0.09 1.0 1.00 0.02 0.02) = 0.008% QB LYS+ 81 - QD LYS+ 65 2.083% * 0.0077% (0.08 1.0 1.00 0.02 0.24) = 0.008% HB3 PRO 58 - HD2 LYS+ 74 2.083% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% QB LYS+ 106 - HD2 LYS+ 74 2.083% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 GLN 90 - QD LYS+ 65 2.083% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 81 - HD2 LYS+ 74 2.083% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 33 - QD LYS+ 65 2.083% * 0.0048% (0.05 1.0 1.00 0.02 1.01) = 0.005% HB3 GLN 90 - HD2 LYS+ 74 2.083% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB ILE 56 - HD2 LYS+ 111 2.083% * 0.0042% (0.04 1.0 1.00 0.02 0.84) = 0.004% HB3 GLN 30 - HD2 LYS+ 111 2.083% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 MET 92 - HD2 LYS+ 111 2.083% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 ASP- 105 - QD LYS+ 65 2.083% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 ARG+ 54 - QD LYS+ 65 2.083% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 ASP- 105 - HD2 LYS+ 74 2.083% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 58 - HD2 LYS+ 111 2.083% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB ILE 103 - QD LYS+ 65 2.083% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG2 ARG+ 54 - HD2 LYS+ 74 2.083% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LYS+ 81 - HD2 LYS+ 111 2.083% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB ILE 103 - HD2 LYS+ 74 2.083% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 GLN 90 - HD2 LYS+ 111 2.083% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LYS+ 33 - HD2 LYS+ 111 2.083% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 ASP- 105 - HD2 LYS+ 111 2.083% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG2 ARG+ 54 - HD2 LYS+ 111 2.083% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB ILE 103 - HD2 LYS+ 111 2.083% * 0.0006% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 380 (1.32, 1.67, 29.90 ppm): 36 chemical-shift based assignments, quality = 0.942, support = 5.53, residual support = 189.6: * O T HG2 LYS+ 38 - QD LYS+ 38 2.778% * 94.1146% (1.00 10.0 10.00 5.68 192.34) = 94.115% kept O T HG2 LYS+ 111 - HD2 LYS+ 111 2.778% * 3.0664% (0.03 10.0 10.00 5.98 278.71) = 3.066% kept T HG2 LYS+ 99 - QD LYS+ 38 2.778% * 0.9144% (0.97 1.0 10.00 0.02 0.73) = 0.914% T HG2 LYS+ 111 - QD LYS+ 38 2.778% * 0.6834% (0.73 1.0 10.00 0.02 0.02) = 0.683% T HG2 LYS+ 38 - QD LYS+ 65 2.778% * 0.1660% (0.18 1.0 10.00 0.02 0.02) = 0.166% T HG2 LYS+ 99 - QD LYS+ 65 2.778% * 0.1613% (0.17 1.0 10.00 0.02 0.02) = 0.161% T HG2 LYS+ 38 - HD2 LYS+ 74 2.778% * 0.1286% (0.14 1.0 10.00 0.02 0.02) = 0.129% T HG2 LYS+ 99 - HD2 LYS+ 74 2.778% * 0.1249% (0.13 1.0 10.00 0.02 0.02) = 0.125% T HG2 LYS+ 111 - QD LYS+ 65 2.778% * 0.1205% (0.13 1.0 10.00 0.02 0.02) = 0.121% T HG2 LYS+ 111 - HD2 LYS+ 74 2.778% * 0.0934% (0.10 1.0 10.00 0.02 0.02) = 0.093% QB ALA 88 - QD LYS+ 38 2.778% * 0.0726% (0.77 1.0 1.00 0.02 0.02) = 0.073% HB2 LEU 31 - QD LYS+ 38 2.778% * 0.0594% (0.63 1.0 1.00 0.02 0.02) = 0.059% T HG2 LYS+ 38 - HD2 LYS+ 111 2.778% * 0.0422% (0.04 1.0 10.00 0.02 0.02) = 0.042% HB3 LEU 80 - QD LYS+ 38 2.778% * 0.0415% (0.44 1.0 1.00 0.02 0.02) = 0.041% T HG2 LYS+ 99 - HD2 LYS+ 111 2.778% * 0.0410% (0.04 1.0 10.00 0.02 0.02) = 0.041% QG2 THR 77 - QD LYS+ 38 2.778% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 63 - QD LYS+ 38 2.778% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB3 ASP- 44 - QD LYS+ 38 2.778% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB ALA 88 - QD LYS+ 65 2.778% * 0.0128% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 31 - QD LYS+ 65 2.778% * 0.0105% (0.11 1.0 1.00 0.02 0.02) = 0.010% QB ALA 88 - HD2 LYS+ 74 2.778% * 0.0099% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 31 - HD2 LYS+ 74 2.778% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 80 - QD LYS+ 65 2.778% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 80 - HD2 LYS+ 74 2.778% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% QG2 THR 77 - QD LYS+ 65 2.778% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB2 LEU 63 - QD LYS+ 65 2.778% * 0.0052% (0.06 1.0 1.00 0.02 1.42) = 0.005% QG2 THR 77 - HD2 LYS+ 74 2.778% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 63 - HD2 LYS+ 74 2.778% * 0.0040% (0.04 1.0 1.00 0.02 0.10) = 0.004% HB3 ASP- 44 - QD LYS+ 65 2.778% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 88 - HD2 LYS+ 111 2.778% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 ASP- 44 - HD2 LYS+ 74 2.778% * 0.0027% (0.03 1.0 1.00 0.02 1.21) = 0.003% HB2 LEU 31 - HD2 LYS+ 111 2.778% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 LEU 80 - HD2 LYS+ 111 2.778% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 THR 77 - HD2 LYS+ 111 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.13) = 0.001% HB2 LEU 63 - HD2 LYS+ 111 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.12) = 0.001% HB3 ASP- 44 - HD2 LYS+ 111 2.778% * 0.0009% (0.01 1.0 1.00 0.02 0.33) = 0.001% Peak 381 (1.26, 1.67, 29.90 ppm): 40 chemical-shift based assignments, quality = 0.947, support = 5.26, residual support = 169.0: * O T HG3 LYS+ 38 - QD LYS+ 38 2.500% * 84.5884% (1.00 10.0 10.00 5.64 192.34) = 84.588% kept QG2 THR 39 - QD LYS+ 38 2.500% * 11.7322% (0.85 1.0 1.00 3.24 21.30) = 11.732% kept O T HG2 LYS+ 74 - HD2 LYS+ 74 2.500% * 2.4557% (0.03 10.0 10.00 4.41 157.02) = 2.456% kept T HG3 LYS+ 99 - QD LYS+ 38 2.500% * 0.2063% (0.24 1.0 10.00 0.02 0.73) = 0.206% T HG2 LYS+ 74 - QD LYS+ 38 2.500% * 0.1798% (0.21 1.0 10.00 0.02 0.02) = 0.180% T HG3 LYS+ 38 - QD LYS+ 65 2.500% * 0.1492% (0.18 1.0 10.00 0.02 0.02) = 0.149% T HG3 LYS+ 38 - HD2 LYS+ 74 2.500% * 0.1156% (0.14 1.0 10.00 0.02 0.02) = 0.116% QG2 ILE 56 - QD LYS+ 38 2.500% * 0.0781% (0.92 1.0 1.00 0.02 0.02) = 0.078% QB ALA 91 - QD LYS+ 38 2.500% * 0.0723% (0.85 1.0 1.00 0.02 0.02) = 0.072% QB ALA 34 - QD LYS+ 38 2.500% * 0.0614% (0.73 1.0 1.00 0.02 0.02) = 0.061% T HG3 LYS+ 38 - HD2 LYS+ 111 2.500% * 0.0380% (0.04 1.0 10.00 0.02 0.02) = 0.038% HG13 ILE 19 - QD LYS+ 38 2.500% * 0.0373% (0.44 1.0 1.00 0.02 0.02) = 0.037% T HG3 LYS+ 99 - QD LYS+ 65 2.500% * 0.0364% (0.04 1.0 10.00 0.02 0.02) = 0.036% T HG2 LYS+ 74 - QD LYS+ 65 2.500% * 0.0317% (0.04 1.0 10.00 0.02 0.02) = 0.032% T HG3 LYS+ 99 - HD2 LYS+ 74 2.500% * 0.0282% (0.03 1.0 10.00 0.02 0.02) = 0.028% QG2 THR 23 - QD LYS+ 38 2.500% * 0.0266% (0.31 1.0 1.00 0.02 0.02) = 0.027% HG LEU 71 - QD LYS+ 38 2.500% * 0.0156% (0.18 1.0 1.00 0.02 0.02) = 0.016% QG2 ILE 56 - QD LYS+ 65 2.500% * 0.0138% (0.16 1.0 1.00 0.02 4.85) = 0.014% QB ALA 91 - QD LYS+ 65 2.500% * 0.0128% (0.15 1.0 1.00 0.02 0.02) = 0.013% QG2 THR 39 - QD LYS+ 65 2.500% * 0.0128% (0.15 1.0 1.00 0.02 0.02) = 0.013% QB ALA 34 - QD LYS+ 65 2.500% * 0.0108% (0.13 1.0 1.00 0.02 0.02) = 0.011% QG2 ILE 56 - HD2 LYS+ 74 2.500% * 0.0107% (0.13 1.0 1.00 0.02 0.02) = 0.011% QB ALA 91 - HD2 LYS+ 74 2.500% * 0.0099% (0.12 1.0 1.00 0.02 0.02) = 0.010% QG2 THR 39 - HD2 LYS+ 74 2.500% * 0.0099% (0.12 1.0 1.00 0.02 0.02) = 0.010% T HG3 LYS+ 99 - HD2 LYS+ 111 2.500% * 0.0093% (0.01 1.0 10.00 0.02 0.02) = 0.009% QB ALA 34 - HD2 LYS+ 74 2.500% * 0.0084% (0.10 1.0 1.00 0.02 0.02) = 0.008% T HG2 LYS+ 74 - HD2 LYS+ 111 2.500% * 0.0081% (0.01 1.0 10.00 0.02 0.02) = 0.008% HG13 ILE 19 - QD LYS+ 65 2.500% * 0.0066% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG13 ILE 19 - HD2 LYS+ 74 2.500% * 0.0051% (0.06 1.0 1.00 0.02 5.32) = 0.005% QG2 THR 23 - QD LYS+ 65 2.500% * 0.0047% (0.06 1.0 1.00 0.02 0.02) = 0.005% QG2 THR 23 - HD2 LYS+ 74 2.500% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG2 ILE 56 - HD2 LYS+ 111 2.500% * 0.0035% (0.04 1.0 1.00 0.02 0.84) = 0.004% QB ALA 91 - HD2 LYS+ 111 2.500% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% QG2 THR 39 - HD2 LYS+ 111 2.500% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB ALA 34 - HD2 LYS+ 111 2.500% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG LEU 71 - QD LYS+ 65 2.500% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG LEU 71 - HD2 LYS+ 74 2.500% * 0.0021% (0.03 1.0 1.00 0.02 1.99) = 0.002% HG13 ILE 19 - HD2 LYS+ 111 2.500% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 THR 23 - HD2 LYS+ 111 2.500% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG LEU 71 - HD2 LYS+ 111 2.500% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 382 (1.67, 1.67, 29.90 ppm): 4 diagonal assignments: * QD LYS+ 38 - QD LYS+ 38 (1.00) kept QD LYS+ 65 - QD LYS+ 65 (0.16) kept HD2 LYS+ 74 - HD2 LYS+ 74 (0.03) kept HD2 LYS+ 111 - HD2 LYS+ 111 (0.01) kept Peak 383 (4.27, 4.27, 62.55 ppm): 2 diagonal assignments: * HA THR 39 - HA THR 39 (1.00) kept HA ILE 103 - HA ILE 103 (0.18) kept Peak 384 (3.86, 4.27, 62.55 ppm): 16 chemical-shift based assignments, quality = 0.989, support = 2.97, residual support = 28.1: * O T HB THR 39 - HA THR 39 6.250% * 98.9295% (1.00 10.0 10.00 3.00 28.39) = 98.929% kept T HB THR 39 - HA ILE 103 6.250% * 0.2839% (0.29 1.0 10.00 0.02 0.02) = 0.284% T HD3 PRO 52 - HA THR 39 6.250% * 0.1820% (0.18 1.0 10.00 0.02 0.02) = 0.182% QB SER 13 - HA THR 39 6.250% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA ILE 89 - HA THR 39 6.250% * 0.0940% (0.95 1.0 1.00 0.02 0.02) = 0.094% HB3 SER 37 - HA THR 39 6.250% * 0.0940% (0.95 1.0 1.00 0.02 2.58) = 0.094% HB3 SER 82 - HA THR 39 6.250% * 0.0763% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB THR 118 - HA THR 39 6.250% * 0.0528% (0.53 1.0 1.00 0.02 0.02) = 0.053% T HD3 PRO 52 - HA ILE 103 6.250% * 0.0522% (0.05 1.0 10.00 0.02 0.02) = 0.052% QB SER 13 - HA ILE 103 6.250% * 0.0283% (0.29 1.0 1.00 0.02 0.02) = 0.028% HB3 SER 37 - HA ILE 103 6.250% * 0.0270% (0.27 1.0 1.00 0.02 0.02) = 0.027% HA ILE 89 - HA ILE 103 6.250% * 0.0270% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB3 SER 82 - HA ILE 103 6.250% * 0.0219% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB THR 118 - HA ILE 103 6.250% * 0.0152% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA GLN 30 - HA THR 39 6.250% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA GLN 30 - HA ILE 103 6.250% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 385 (1.26, 4.27, 62.55 ppm): 20 chemical-shift based assignments, quality = 0.805, support = 2.85, residual support = 23.2: * O T QG2 THR 39 - HA THR 39 5.000% * 66.9646% (0.81 10.0 10.00 2.71 28.39) = 66.965% kept HG3 LYS+ 38 - HA THR 39 5.000% * 19.2907% (1.00 1.0 1.00 4.71 21.30) = 19.291% kept T QG2 THR 23 - HA THR 39 5.000% * 6.7766% (0.35 1.0 10.00 0.47 0.02) = 6.777% kept QB ALA 34 - HA THR 39 5.000% * 5.5877% (0.77 1.0 1.00 1.76 1.69) = 5.588% kept T QB ALA 91 - HA THR 39 5.000% * 0.6696% (0.81 1.0 10.00 0.02 0.02) = 0.670% T QB ALA 91 - HA ILE 103 5.000% * 0.1922% (0.23 1.0 10.00 0.02 0.02) = 0.192% T QG2 THR 39 - HA ILE 103 5.000% * 0.1922% (0.23 1.0 10.00 0.02 0.02) = 0.192% T QG2 THR 23 - HA ILE 103 5.000% * 0.0836% (0.10 1.0 10.00 0.02 0.02) = 0.084% QG2 ILE 56 - HA THR 39 5.000% * 0.0781% (0.95 1.0 1.00 0.02 0.02) = 0.078% HG13 ILE 19 - HA THR 39 5.000% * 0.0326% (0.40 1.0 1.00 0.02 0.02) = 0.033% HG3 LYS+ 38 - HA ILE 103 5.000% * 0.0235% (0.29 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 56 - HA ILE 103 5.000% * 0.0224% (0.27 1.0 1.00 0.02 0.02) = 0.022% QB ALA 34 - HA ILE 103 5.000% * 0.0182% (0.22 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 99 - HA THR 39 5.000% * 0.0175% (0.21 1.0 1.00 0.02 0.02) = 0.017% HG2 LYS+ 74 - HA THR 39 5.000% * 0.0151% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG LEU 71 - HA THR 39 5.000% * 0.0130% (0.16 1.0 1.00 0.02 0.02) = 0.013% HG13 ILE 19 - HA ILE 103 5.000% * 0.0094% (0.11 1.0 1.00 0.02 1.72) = 0.009% HG3 LYS+ 99 - HA ILE 103 5.000% * 0.0050% (0.06 1.0 1.00 0.02 0.57) = 0.005% HG2 LYS+ 74 - HA ILE 103 5.000% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG LEU 71 - HA ILE 103 5.000% * 0.0037% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 386 (4.27, 3.86, 70.88 ppm): 9 chemical-shift based assignments, quality = 0.989, support = 2.97, residual support = 28.1: * O T HA THR 39 - HB THR 39 11.111% * 98.9442% (1.00 10.0 10.00 3.00 28.39) = 98.944% kept T HA ILE 103 - HB THR 39 11.111% * 0.6241% (0.63 1.0 10.00 0.02 0.02) = 0.624% HA GLU- 79 - HB THR 39 11.111% * 0.0977% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA1 GLY 51 - HB THR 39 11.111% * 0.0961% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA ALA 57 - HB THR 39 11.111% * 0.0672% (0.68 1.0 1.00 0.02 0.02) = 0.067% HA SER 85 - HB THR 39 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB THR 77 - HB THR 39 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA ASP- 44 - HB THR 39 11.111% * 0.0392% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA MET 11 - HB THR 39 11.111% * 0.0351% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 387 (3.86, 3.86, 70.88 ppm): 1 diagonal assignment: * HB THR 39 - HB THR 39 (1.00) kept Peak 388 (1.26, 3.86, 70.88 ppm): 10 chemical-shift based assignments, quality = 0.795, support = 2.45, residual support = 15.7: * O T QG2 THR 39 - HB THR 39 10.000% * 43.5802% (0.81 10.0 10.00 2.58 28.39) = 43.580% kept T QB ALA 34 - HB THR 39 10.000% * 39.2161% (0.77 1.0 10.00 1.90 1.69) = 39.216% kept HG3 LYS+ 38 - HB THR 39 10.000% * 12.2806% (1.00 1.0 1.00 4.61 21.30) = 12.281% kept T QG2 THR 23 - HB THR 39 10.000% * 4.2833% (0.35 1.0 10.00 0.45 0.02) = 4.283% kept T QB ALA 91 - HB THR 39 10.000% * 0.4358% (0.81 1.0 10.00 0.02 0.02) = 0.436% T HG3 LYS+ 99 - HB THR 39 10.000% * 0.1137% (0.21 1.0 10.00 0.02 0.02) = 0.114% QG2 ILE 56 - HB THR 39 10.000% * 0.0508% (0.95 1.0 1.00 0.02 0.02) = 0.051% HG13 ILE 19 - HB THR 39 10.000% * 0.0212% (0.40 1.0 1.00 0.02 0.02) = 0.021% HG2 LYS+ 74 - HB THR 39 10.000% * 0.0098% (0.18 1.0 1.00 0.02 0.02) = 0.010% HG LEU 71 - HB THR 39 10.000% * 0.0085% (0.16 1.0 1.00 0.02 0.02) = 0.008% Peak 389 (4.27, 1.26, 21.81 ppm): 27 chemical-shift based assignments, quality = 0.754, support = 2.44, residual support = 25.2: * O T HA THR 39 - QG2 THR 39 3.704% * 88.6385% (0.81 10.0 10.00 2.71 28.39) = 88.639% kept T HA THR 39 - QG2 THR 23 3.704% * 8.9699% (0.35 1.0 10.00 0.47 0.02) = 8.970% kept T HA ILE 103 - QG2 THR 39 3.704% * 0.5591% (0.51 1.0 10.00 0.02 0.02) = 0.559% T HA THR 39 - QB ALA 91 3.704% * 0.4186% (0.38 1.0 10.00 0.02 0.02) = 0.419% T HA ILE 103 - QB ALA 91 3.704% * 0.2640% (0.24 1.0 10.00 0.02 0.02) = 0.264% T HA ILE 103 - QG2 THR 23 3.704% * 0.2433% (0.22 1.0 10.00 0.02 0.02) = 0.243% T HB THR 77 - QG2 THR 23 3.704% * 0.1878% (0.17 1.0 10.00 0.02 0.69) = 0.188% HA GLU- 79 - QG2 THR 39 3.704% * 0.0875% (0.80 1.0 1.00 0.02 0.02) = 0.088% HA1 GLY 51 - QG2 THR 39 3.704% * 0.0861% (0.79 1.0 1.00 0.02 0.02) = 0.086% HA ALA 57 - QG2 THR 39 3.704% * 0.0602% (0.55 1.0 1.00 0.02 0.02) = 0.060% HB THR 77 - QG2 THR 39 3.704% * 0.0431% (0.40 1.0 1.00 0.02 0.02) = 0.043% HA SER 85 - QG2 THR 39 3.704% * 0.0431% (0.40 1.0 1.00 0.02 0.02) = 0.043% HA GLU- 79 - QB ALA 91 3.704% * 0.0413% (0.38 1.0 1.00 0.02 0.02) = 0.041% HA1 GLY 51 - QB ALA 91 3.704% * 0.0407% (0.37 1.0 1.00 0.02 0.02) = 0.041% HA GLU- 79 - QG2 THR 23 3.704% * 0.0381% (0.35 1.0 1.00 0.02 0.02) = 0.038% HA1 GLY 51 - QG2 THR 23 3.704% * 0.0375% (0.34 1.0 1.00 0.02 0.02) = 0.037% HA ASP- 44 - QG2 THR 39 3.704% * 0.0352% (0.32 1.0 1.00 0.02 0.02) = 0.035% HA MET 11 - QG2 THR 39 3.704% * 0.0314% (0.29 1.0 1.00 0.02 0.02) = 0.031% HA ALA 57 - QB ALA 91 3.704% * 0.0284% (0.26 1.0 1.00 0.02 0.02) = 0.028% HA ALA 57 - QG2 THR 23 3.704% * 0.0262% (0.24 1.0 1.00 0.02 0.02) = 0.026% HA SER 85 - QB ALA 91 3.704% * 0.0204% (0.19 1.0 1.00 0.02 0.02) = 0.020% HB THR 77 - QB ALA 91 3.704% * 0.0204% (0.19 1.0 1.00 0.02 0.02) = 0.020% HA SER 85 - QG2 THR 23 3.704% * 0.0188% (0.17 1.0 1.00 0.02 0.02) = 0.019% HA ASP- 44 - QB ALA 91 3.704% * 0.0166% (0.15 1.0 1.00 0.02 0.02) = 0.017% HA ASP- 44 - QG2 THR 23 3.704% * 0.0153% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA MET 11 - QB ALA 91 3.704% * 0.0148% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA MET 11 - QG2 THR 23 3.704% * 0.0137% (0.13 1.0 1.00 0.02 0.02) = 0.014% Peak 390 (3.86, 1.26, 21.81 ppm): 24 chemical-shift based assignments, quality = 0.75, support = 2.35, residual support = 24.8: * O T HB THR 39 - QG2 THR 39 4.167% * 86.6141% (0.81 10.0 10.00 2.58 28.39) = 86.614% kept T HB THR 39 - QG2 THR 23 4.167% * 8.5129% (0.35 1.0 10.00 0.45 0.02) = 8.513% kept HA ILE 89 - QB ALA 91 4.167% * 3.7558% (0.37 1.0 1.00 1.93 4.78) = 3.756% kept T HB THR 39 - QB ALA 91 4.167% * 0.4090% (0.38 1.0 10.00 0.02 0.02) = 0.409% QB SER 13 - QG2 THR 39 4.167% * 0.0863% (0.81 1.0 1.00 0.02 0.02) = 0.086% HB3 SER 37 - QG2 THR 39 4.167% * 0.0823% (0.77 1.0 1.00 0.02 2.58) = 0.082% HA ILE 89 - QG2 THR 39 4.167% * 0.0823% (0.77 1.0 1.00 0.02 0.02) = 0.082% HB3 SER 82 - QG2 THR 39 4.167% * 0.0668% (0.63 1.0 1.00 0.02 0.02) = 0.067% HB THR 118 - QG2 THR 39 4.167% * 0.0463% (0.44 1.0 1.00 0.02 0.02) = 0.046% QB SER 13 - QB ALA 91 4.167% * 0.0408% (0.38 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 37 - QB ALA 91 4.167% * 0.0389% (0.37 1.0 1.00 0.02 0.02) = 0.039% QB SER 13 - QG2 THR 23 4.167% * 0.0376% (0.35 1.0 1.00 0.02 0.02) = 0.038% HA ILE 89 - QG2 THR 23 4.167% * 0.0358% (0.34 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 37 - QG2 THR 23 4.167% * 0.0358% (0.34 1.0 1.00 0.02 0.02) = 0.036% HB3 SER 82 - QB ALA 91 4.167% * 0.0316% (0.30 1.0 1.00 0.02 0.02) = 0.032% HB3 SER 82 - QG2 THR 23 4.167% * 0.0291% (0.27 1.0 1.00 0.02 0.02) = 0.029% HB THR 118 - QB ALA 91 4.167% * 0.0218% (0.21 1.0 1.00 0.02 0.02) = 0.022% HB THR 118 - QG2 THR 23 4.167% * 0.0201% (0.19 1.0 1.00 0.02 0.02) = 0.020% HD3 PRO 52 - QG2 THR 39 4.167% * 0.0159% (0.15 1.0 1.00 0.02 0.02) = 0.016% HA GLN 30 - QG2 THR 39 4.167% * 0.0117% (0.11 1.0 1.00 0.02 0.02) = 0.012% HD3 PRO 52 - QB ALA 91 4.167% * 0.0075% (0.07 1.0 1.00 0.02 0.02) = 0.008% HD3 PRO 52 - QG2 THR 23 4.167% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA GLN 30 - QB ALA 91 4.167% * 0.0055% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA GLN 30 - QG2 THR 23 4.167% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 391 (1.26, 1.26, 21.81 ppm): 3 diagonal assignments: * QG2 THR 39 - QG2 THR 39 (0.66) kept QB ALA 91 - QB ALA 91 (0.31) kept QG2 THR 23 - QG2 THR 23 (0.13) kept Peak 392 (4.40, 4.40, 56.43 ppm): 3 diagonal assignments: * HA LEU 40 - HA LEU 40 (1.00) kept HA GLU- 15 - HA GLU- 15 (0.73) kept HA ASN 35 - HA ASN 35 (0.06) kept Peak 393 (1.94, 4.40, 56.43 ppm): 18 chemical-shift based assignments, quality = 0.947, support = 4.81, residual support = 75.5: * O T HB2 LEU 40 - HA LEU 40 5.556% * 93.2186% (1.00 10.0 10.00 5.09 80.87) = 93.219% kept T HB2 LEU 40 - HA ASN 35 5.556% * 3.0292% (0.24 1.0 10.00 0.27 0.02) = 3.029% kept HB3 GLU- 14 - HA GLU- 15 5.556% * 2.6705% (0.28 1.0 1.00 2.05 2.80) = 2.671% kept T HB2 LEU 40 - HA GLU- 15 5.556% * 0.7356% (0.79 1.0 10.00 0.02 0.02) = 0.736% HB3 MET 96 - HA LEU 40 5.556% * 0.0677% (0.73 1.0 1.00 0.02 0.53) = 0.068% HB3 MET 96 - HA GLU- 15 5.556% * 0.0534% (0.57 1.0 1.00 0.02 0.02) = 0.053% HB3 ARG+ 54 - HA LEU 40 5.556% * 0.0454% (0.49 1.0 1.00 0.02 0.02) = 0.045% HB3 ARG+ 54 - HA GLU- 15 5.556% * 0.0358% (0.38 1.0 1.00 0.02 0.02) = 0.036% HB3 GLU- 14 - HA LEU 40 5.556% * 0.0331% (0.35 1.0 1.00 0.02 0.02) = 0.033% HB VAL 18 - HA LEU 40 5.556% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG3 MET 11 - HA LEU 40 5.556% * 0.0172% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 96 - HA ASN 35 5.556% * 0.0165% (0.18 1.0 1.00 0.02 0.02) = 0.016% HB VAL 18 - HA GLU- 15 5.556% * 0.0156% (0.17 1.0 1.00 0.02 0.02) = 0.016% HG3 MET 11 - HA GLU- 15 5.556% * 0.0135% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB3 ARG+ 54 - HA ASN 35 5.556% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB3 GLU- 14 - HA ASN 35 5.556% * 0.0081% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB VAL 18 - HA ASN 35 5.556% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 MET 11 - HA ASN 35 5.556% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 394 (1.48, 4.40, 56.43 ppm): 24 chemical-shift based assignments, quality = 0.811, support = 4.08, residual support = 76.0: * O T HB3 LEU 40 - HA LEU 40 4.167% * 75.5942% (1.00 10.0 10.00 4.34 80.87) = 75.594% kept O HG LEU 40 - HA LEU 40 4.167% * 18.4337% (0.24 10.0 1.00 4.25 80.87) = 18.434% kept T HB3 LEU 40 - HA ASN 35 4.167% * 2.4565% (0.24 1.0 10.00 0.27 0.02) = 2.456% kept T HG LEU 115 - HA ASN 35 4.167% * 2.0876% (0.22 1.0 10.00 0.25 0.02) = 2.088% kept T HB3 LEU 40 - HA GLU- 15 4.167% * 0.5966% (0.79 1.0 10.00 0.02 0.02) = 0.597% T HB3 LEU 115 - HA LEU 40 4.167% * 0.1843% (0.24 1.0 10.00 0.02 0.02) = 0.184% T HB3 LEU 115 - HA GLU- 15 4.167% * 0.1455% (0.19 1.0 10.00 0.02 0.02) = 0.145% QB ALA 120 - HA LEU 40 4.167% * 0.0674% (0.89 1.0 1.00 0.02 0.02) = 0.067% HG LEU 115 - HA LEU 40 4.167% * 0.0674% (0.89 1.0 1.00 0.02 0.02) = 0.067% QB ALA 120 - HA GLU- 15 4.167% * 0.0532% (0.70 1.0 1.00 0.02 0.02) = 0.053% HG LEU 115 - HA GLU- 15 4.167% * 0.0532% (0.70 1.0 1.00 0.02 0.02) = 0.053% T HG LEU 40 - HA ASN 35 4.167% * 0.0449% (0.06 1.0 10.00 0.02 0.02) = 0.045% T HB3 LEU 115 - HA ASN 35 4.167% * 0.0449% (0.06 1.0 10.00 0.02 0.02) = 0.045% HB2 LYS+ 74 - HA LEU 40 4.167% * 0.0300% (0.40 1.0 1.00 0.02 0.02) = 0.030% HG LEU 67 - HA LEU 40 4.167% * 0.0268% (0.35 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 74 - HA GLU- 15 4.167% * 0.0237% (0.31 1.0 1.00 0.02 0.02) = 0.024% HG LEU 67 - HA GLU- 15 4.167% * 0.0212% (0.28 1.0 1.00 0.02 0.02) = 0.021% QB ALA 120 - HA ASN 35 4.167% * 0.0164% (0.22 1.0 1.00 0.02 0.02) = 0.016% HG LEU 40 - HA GLU- 15 4.167% * 0.0145% (0.19 1.0 1.00 0.02 0.02) = 0.015% QG2 THR 26 - HA LEU 40 4.167% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% QG2 THR 26 - HA GLU- 15 4.167% * 0.0094% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 74 - HA ASN 35 4.167% * 0.0073% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG LEU 67 - HA ASN 35 4.167% * 0.0065% (0.09 1.0 1.00 0.02 0.02) = 0.007% QG2 THR 26 - HA ASN 35 4.167% * 0.0029% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 395 (4.40, 1.94, 42.31 ppm): 11 chemical-shift based assignments, quality = 0.975, support = 4.95, residual support = 78.3: * O T HA LEU 40 - HB2 LEU 40 9.091% * 96.8521% (1.00 10.0 10.00 5.09 80.87) = 96.852% kept HA LEU 123 - HB2 LEU 40 9.091% * 1.7185% (0.40 1.0 1.00 0.89 0.52) = 1.718% kept T HA GLU- 15 - HB2 LEU 40 9.091% * 0.8941% (0.92 1.0 10.00 0.02 0.02) = 0.894% T HA ASN 35 - HB2 LEU 40 9.091% * 0.2362% (0.24 1.0 10.00 0.02 0.02) = 0.236% HA PRO 58 - HB2 LEU 40 9.091% * 0.0920% (0.95 1.0 1.00 0.02 0.02) = 0.092% HA SER 13 - HB2 LEU 40 9.091% * 0.0894% (0.92 1.0 1.00 0.02 0.02) = 0.089% HA THR 46 - HB2 LEU 40 9.091% * 0.0305% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA ILE 56 - HB2 LEU 40 9.091% * 0.0269% (0.28 1.0 1.00 0.02 0.63) = 0.027% HA GLN 17 - HB2 LEU 40 9.091% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA SER 37 - HB2 LEU 40 9.091% * 0.0236% (0.24 1.0 1.00 0.02 0.12) = 0.024% HA LYS+ 99 - HB2 LEU 40 9.091% * 0.0131% (0.14 1.0 1.00 0.02 4.82) = 0.013% Peak 396 (1.94, 1.94, 42.31 ppm): 1 diagonal assignment: * HB2 LEU 40 - HB2 LEU 40 (1.00) kept Peak 397 (1.48, 1.94, 42.31 ppm): 8 chemical-shift based assignments, quality = 0.848, support = 4.21, residual support = 80.5: * O T HB3 LEU 40 - HB2 LEU 40 12.500% * 80.0653% (1.00 10.0 10.00 4.18 80.87) = 80.065% kept O HG LEU 40 - HB2 LEU 40 12.500% * 19.5240% (0.24 10.0 1.00 4.44 80.87) = 19.524% kept T HB3 LEU 115 - HB2 LEU 40 12.500% * 0.1952% (0.24 1.0 10.00 0.02 0.02) = 0.195% HG LEU 115 - HB2 LEU 40 12.500% * 0.0714% (0.89 1.0 1.00 0.02 0.02) = 0.071% QB ALA 120 - HB2 LEU 40 12.500% * 0.0714% (0.89 1.0 1.00 0.02 0.02) = 0.071% HB2 LYS+ 74 - HB2 LEU 40 12.500% * 0.0318% (0.40 1.0 1.00 0.02 0.02) = 0.032% HG LEU 67 - HB2 LEU 40 12.500% * 0.0284% (0.35 1.0 1.00 0.02 0.02) = 0.028% QG2 THR 26 - HB2 LEU 40 12.500% * 0.0127% (0.16 1.0 1.00 0.02 0.02) = 0.013% Peak 398 (4.40, 1.48, 42.31 ppm): 22 chemical-shift based assignments, quality = 0.974, support = 4.22, residual support = 78.2: * O T HA LEU 40 - HB3 LEU 40 4.545% * 96.6726% (1.00 10.0 10.00 4.34 80.87) = 96.673% kept HA LEU 123 - HB3 LEU 40 4.545% * 1.7153% (0.40 1.0 1.00 0.89 0.52) = 1.715% kept T HA GLU- 15 - HB3 LEU 40 4.545% * 0.8924% (0.92 1.0 10.00 0.02 0.02) = 0.892% T HA ASN 35 - HB3 LEU 40 4.545% * 0.2357% (0.24 1.0 10.00 0.02 0.02) = 0.236% HA PRO 58 - HB3 LEU 40 4.545% * 0.0918% (0.95 1.0 1.00 0.02 0.02) = 0.092% HA SER 13 - HB3 LEU 40 4.545% * 0.0892% (0.92 1.0 1.00 0.02 0.02) = 0.089% T HA LEU 40 - HB3 LEU 115 4.545% * 0.0737% (0.08 1.0 10.00 0.02 0.02) = 0.074% T HA GLU- 15 - HB3 LEU 115 4.545% * 0.0680% (0.07 1.0 10.00 0.02 0.02) = 0.068% HA THR 46 - HB3 LEU 40 4.545% * 0.0305% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA ILE 56 - HB3 LEU 40 4.545% * 0.0269% (0.28 1.0 1.00 0.02 0.63) = 0.027% HA SER 37 - HB3 LEU 40 4.545% * 0.0236% (0.24 1.0 1.00 0.02 0.12) = 0.024% HA GLN 17 - HB3 LEU 40 4.545% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% T HA ASN 35 - HB3 LEU 115 4.545% * 0.0180% (0.02 1.0 10.00 0.02 0.02) = 0.018% HA LYS+ 99 - HB3 LEU 40 4.545% * 0.0131% (0.14 1.0 1.00 0.02 4.82) = 0.013% HA PRO 58 - HB3 LEU 115 4.545% * 0.0070% (0.07 1.0 1.00 0.02 0.20) = 0.007% HA SER 13 - HB3 LEU 115 4.545% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA LEU 123 - HB3 LEU 115 4.545% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA THR 46 - HB3 LEU 115 4.545% * 0.0023% (0.02 1.0 1.00 0.02 0.16) = 0.002% HA ILE 56 - HB3 LEU 115 4.545% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA SER 37 - HB3 LEU 115 4.545% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA GLN 17 - HB3 LEU 115 4.545% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 99 - HB3 LEU 115 4.545% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 399 (1.94, 1.48, 42.31 ppm): 12 chemical-shift based assignments, quality = 0.997, support = 4.16, residual support = 80.6: * O T HB2 LEU 40 - HB3 LEU 40 8.333% * 99.7132% (1.00 10.0 10.00 4.18 80.87) = 99.713% kept T HB2 LEU 40 - HB3 LEU 115 8.333% * 0.0760% (0.08 1.0 10.00 0.02 0.02) = 0.076% HB3 MET 96 - HB3 LEU 40 8.333% * 0.0724% (0.73 1.0 1.00 0.02 0.53) = 0.072% HB3 ARG+ 54 - HB3 LEU 40 8.333% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB3 GLU- 14 - HB3 LEU 40 8.333% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB VAL 18 - HB3 LEU 40 8.333% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG3 MET 11 - HB3 LEU 40 8.333% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 96 - HB3 LEU 115 8.333% * 0.0055% (0.06 1.0 1.00 0.02 1.25) = 0.006% HB3 ARG+ 54 - HB3 LEU 115 8.333% * 0.0037% (0.04 1.0 1.00 0.02 0.95) = 0.004% HB3 GLU- 14 - HB3 LEU 115 8.333% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB VAL 18 - HB3 LEU 115 8.333% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 MET 11 - HB3 LEU 115 8.333% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 400 (1.48, 1.48, 42.31 ppm): 2 diagonal assignments: * HB3 LEU 40 - HB3 LEU 40 (1.00) kept HB3 LEU 115 - HB3 LEU 115 (0.02) kept Peak 401 (4.88, 4.88, 60.22 ppm): 1 diagonal assignment: * HA VAL 41 - HA VAL 41 (1.00) kept Peak 402 (1.84, 4.88, 60.22 ppm): 11 chemical-shift based assignments, quality = 0.574, support = 4.08, residual support = 53.5: * O T HB VAL 41 - HA VAL 41 9.091% * 98.5388% (0.58 10.0 10.00 4.14 54.33) = 98.539% kept QB LYS+ 66 - HA VAL 41 9.091% * 0.7149% (0.35 1.0 1.00 0.24 0.54) = 0.715% HB3 PRO 52 - HA VAL 41 9.091% * 0.1671% (0.99 1.0 1.00 0.02 0.02) = 0.167% HG LEU 123 - HA VAL 41 9.091% * 0.1671% (0.99 1.0 1.00 0.02 0.52) = 0.167% HG12 ILE 103 - HA VAL 41 9.091% * 0.1306% (0.77 1.0 1.00 0.02 0.02) = 0.131% HG3 PRO 68 - HA VAL 41 9.091% * 0.0671% (0.40 1.0 1.00 0.02 0.02) = 0.067% HB ILE 103 - HA VAL 41 9.091% * 0.0600% (0.35 1.0 1.00 0.02 0.02) = 0.060% HG2 ARG+ 54 - HA VAL 41 9.091% * 0.0533% (0.31 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 105 - HA VAL 41 9.091% * 0.0471% (0.28 1.0 1.00 0.02 0.02) = 0.047% QB LYS+ 33 - HA VAL 41 9.091% * 0.0311% (0.18 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 93 - HA VAL 41 9.091% * 0.0229% (0.14 1.0 1.00 0.02 0.02) = 0.023% Peak 403 (0.76, 4.88, 60.22 ppm): 7 chemical-shift based assignments, quality = 0.984, support = 3.49, residual support = 51.4: * O T QG1 VAL 41 - HA VAL 41 14.286% * 94.5218% (1.00 10.0 10.00 3.65 54.33) = 94.522% kept QG1 VAL 43 - HA VAL 41 14.286% * 3.5808% (0.92 1.0 1.00 0.82 1.59) = 3.581% kept QG2 THR 46 - HA VAL 41 14.286% * 1.1625% (0.53 1.0 1.00 0.46 0.02) = 1.162% kept T QG2 VAL 18 - HA VAL 41 14.286% * 0.6418% (0.68 1.0 10.00 0.02 0.02) = 0.642% HG LEU 31 - HA VAL 41 14.286% * 0.0460% (0.49 1.0 1.00 0.02 0.02) = 0.046% QD2 LEU 73 - HA VAL 41 14.286% * 0.0298% (0.31 1.0 1.00 0.02 0.02) = 0.030% QD1 ILE 19 - HA VAL 41 14.286% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 404 (0.55, 4.88, 60.22 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.54, residual support = 53.7: * O T QG2 VAL 41 - HA VAL 41 25.000% * 98.4655% (1.00 10.0 10.00 3.59 54.33) = 98.466% kept QD2 LEU 98 - HA VAL 41 25.000% * 1.3956% (0.92 1.0 1.00 0.31 14.79) = 1.396% kept QD1 LEU 80 - HA VAL 41 25.000% * 0.0909% (0.92 1.0 1.00 0.02 0.58) = 0.091% QD2 LEU 63 - HA VAL 41 25.000% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% Peak 405 (4.88, 1.84, 34.57 ppm): 3 chemical-shift based assignments, quality = 0.572, support = 4.05, residual support = 52.5: * O T HA VAL 41 - HB VAL 41 33.333% * 96.6359% (0.58 10.0 10.00 4.14 54.33) = 96.636% kept HA PHE 45 - HB VAL 41 33.333% * 3.2940% (0.28 1.0 1.00 1.40 0.30) = 3.294% kept HA HIS 122 - HB VAL 41 33.333% * 0.0702% (0.42 1.0 1.00 0.02 0.02) = 0.070% Peak 406 (1.84, 1.84, 34.57 ppm): 1 diagonal assignment: * HB VAL 41 - HB VAL 41 (0.34) kept Peak 407 (0.76, 1.84, 34.57 ppm): 7 chemical-shift based assignments, quality = 0.558, support = 3.5, residual support = 46.2: * O T QG1 VAL 41 - HB VAL 41 14.286% * 84.9445% (0.58 10.0 10.00 4.02 54.33) = 84.945% kept T QG2 VAL 18 - HB VAL 41 14.286% * 10.0345% (0.40 1.0 10.00 0.35 0.02) = 10.034% kept QG1 VAL 43 - HB VAL 41 14.286% * 4.4200% (0.54 1.0 1.00 1.13 1.59) = 4.420% kept QG2 THR 46 - HB VAL 41 14.286% * 0.5173% (0.31 1.0 1.00 0.23 0.02) = 0.517% HG LEU 31 - HB VAL 41 14.286% * 0.0413% (0.28 1.0 1.00 0.02 0.02) = 0.041% QD2 LEU 73 - HB VAL 41 14.286% * 0.0268% (0.18 1.0 1.00 0.02 0.02) = 0.027% QD1 ILE 19 - HB VAL 41 14.286% * 0.0156% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 408 (0.55, 1.84, 34.57 ppm): 4 chemical-shift based assignments, quality = 0.579, support = 3.86, residual support = 52.3: * O T QG2 VAL 41 - HB VAL 41 25.000% * 95.0369% (0.58 10.0 10.00 4.01 54.33) = 95.037% kept QD2 LEU 98 - HB VAL 41 25.000% * 4.8291% (0.54 1.0 1.00 1.10 14.79) = 4.829% kept QD1 LEU 80 - HB VAL 41 25.000% * 0.0877% (0.54 1.0 1.00 0.02 0.58) = 0.088% QD2 LEU 63 - HB VAL 41 25.000% * 0.0463% (0.28 1.0 1.00 0.02 0.02) = 0.046% Peak 409 (4.88, 0.55, 21.65 ppm): 3 chemical-shift based assignments, quality = 0.985, support = 3.52, residual support = 52.8: * O T HA VAL 41 - QG2 VAL 41 33.333% * 97.2341% (1.00 10.0 10.00 3.59 54.33) = 97.234% kept HA PHE 45 - QG2 VAL 41 33.333% * 2.6953% (0.49 1.0 1.00 1.14 0.30) = 2.695% kept HA HIS 122 - QG2 VAL 41 33.333% * 0.0706% (0.73 1.0 1.00 0.02 0.02) = 0.071% Peak 410 (1.84, 0.55, 21.65 ppm): 11 chemical-shift based assignments, quality = 0.578, support = 3.98, residual support = 53.9: * O T HB VAL 41 - QG2 VAL 41 9.091% * 99.1884% (0.58 10.0 10.00 4.01 54.33) = 99.188% kept HB3 PRO 52 - QG2 VAL 41 9.091% * 0.1682% (0.99 1.0 1.00 0.02 0.02) = 0.168% HG LEU 123 - QG2 VAL 41 9.091% * 0.1682% (0.99 1.0 1.00 0.02 0.52) = 0.168% HG12 ILE 103 - QG2 VAL 41 9.091% * 0.1314% (0.77 1.0 1.00 0.02 0.02) = 0.131% HG3 PRO 68 - QG2 VAL 41 9.091% * 0.0676% (0.40 1.0 1.00 0.02 0.02) = 0.068% HB ILE 103 - QG2 VAL 41 9.091% * 0.0604% (0.35 1.0 1.00 0.02 0.02) = 0.060% QB LYS+ 66 - QG2 VAL 41 9.091% * 0.0604% (0.35 1.0 1.00 0.02 0.54) = 0.060% HG2 ARG+ 54 - QG2 VAL 41 9.091% * 0.0537% (0.31 1.0 1.00 0.02 0.02) = 0.054% HB3 ASP- 105 - QG2 VAL 41 9.091% * 0.0474% (0.28 1.0 1.00 0.02 0.02) = 0.047% QB LYS+ 33 - QG2 VAL 41 9.091% * 0.0313% (0.18 1.0 1.00 0.02 0.02) = 0.031% HG2 PRO 93 - QG2 VAL 41 9.091% * 0.0231% (0.14 1.0 1.00 0.02 0.02) = 0.023% Peak 411 (0.76, 0.55, 21.65 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 3.26, residual support = 50.3: * O T QG1 VAL 41 - QG2 VAL 41 14.286% * 92.4118% (1.00 10.0 10.00 3.41 54.33) = 92.412% kept QG1 VAL 43 - QG2 VAL 41 14.286% * 6.8203% (0.92 1.0 1.00 1.60 1.59) = 6.820% kept T QG2 VAL 18 - QG2 VAL 41 14.286% * 0.6274% (0.68 1.0 10.00 0.02 0.02) = 0.627% QG2 THR 46 - QG2 VAL 41 14.286% * 0.0494% (0.53 1.0 1.00 0.02 0.02) = 0.049% HG LEU 31 - QG2 VAL 41 14.286% * 0.0450% (0.49 1.0 1.00 0.02 0.02) = 0.045% QD2 LEU 73 - QG2 VAL 41 14.286% * 0.0291% (0.31 1.0 1.00 0.02 0.02) = 0.029% QD1 ILE 19 - QG2 VAL 41 14.286% * 0.0170% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 412 (0.55, 0.55, 21.65 ppm): 1 diagonal assignment: * QG2 VAL 41 - QG2 VAL 41 (1.00) kept Peak 413 (4.44, 4.44, 60.39 ppm): 2 diagonal assignments: * HA VAL 42 - HA VAL 42 (1.00) kept HA PHE 55 - HA PHE 55 (0.08) kept Peak 414 (1.39, 4.44, 60.39 ppm): 24 chemical-shift based assignments, quality = 0.776, support = 3.91, residual support = 59.9: * O T HB VAL 42 - HA VAL 42 4.167% * 86.5079% (0.81 10.0 10.00 4.47 69.25) = 86.508% kept T HB2 LYS+ 112 - HA VAL 42 4.167% * 12.2480% (0.58 1.0 10.00 0.40 0.02) = 12.248% kept HB3 LEU 73 - HA VAL 42 4.167% * 0.2913% (0.73 1.0 1.00 0.08 1.44) = 0.291% T HB VAL 42 - HA PHE 55 4.167% * 0.1585% (0.15 1.0 10.00 0.02 0.02) = 0.159% T HB2 LYS+ 112 - HA PHE 55 4.167% * 0.1133% (0.11 1.0 10.00 0.02 0.11) = 0.113% QB ALA 12 - HA VAL 42 4.167% * 0.1009% (0.95 1.0 1.00 0.02 0.02) = 0.101% HG3 LYS+ 33 - HA VAL 42 4.167% * 0.0946% (0.89 1.0 1.00 0.02 0.02) = 0.095% HG3 LYS+ 65 - HA VAL 42 4.167% * 0.0865% (0.81 1.0 1.00 0.02 0.02) = 0.087% QB LEU 98 - HA VAL 42 4.167% * 0.0721% (0.68 1.0 1.00 0.02 0.11) = 0.072% HG3 LYS+ 102 - HA VAL 42 4.167% * 0.0721% (0.68 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 106 - HA VAL 42 4.167% * 0.0468% (0.44 1.0 1.00 0.02 1.06) = 0.047% HB3 LYS+ 74 - HA VAL 42 4.167% * 0.0376% (0.35 1.0 1.00 0.02 0.02) = 0.038% HD3 LYS+ 121 - HA VAL 42 4.167% * 0.0334% (0.31 1.0 1.00 0.02 0.02) = 0.033% HB2 LEU 80 - HA VAL 42 4.167% * 0.0195% (0.18 1.0 1.00 0.02 0.02) = 0.020% QB ALA 12 - HA PHE 55 4.167% * 0.0185% (0.17 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 33 - HA PHE 55 4.167% * 0.0173% (0.16 1.0 1.00 0.02 0.02) = 0.017% HG3 LYS+ 65 - HA PHE 55 4.167% * 0.0159% (0.15 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 73 - HA PHE 55 4.167% * 0.0141% (0.13 1.0 1.00 0.02 0.02) = 0.014% QB LEU 98 - HA PHE 55 4.167% * 0.0132% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 102 - HA PHE 55 4.167% * 0.0132% (0.12 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 106 - HA PHE 55 4.167% * 0.0086% (0.08 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 74 - HA PHE 55 4.167% * 0.0069% (0.06 1.0 1.00 0.02 0.02) = 0.007% HD3 LYS+ 121 - HA PHE 55 4.167% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 80 - HA PHE 55 4.167% * 0.0036% (0.03 1.0 1.00 0.02 0.90) = 0.004% Peak 415 (0.37, 4.44, 60.39 ppm): 6 chemical-shift based assignments, quality = 0.96, support = 3.1, residual support = 50.4: * O T QG1 VAL 42 - HA VAL 42 16.667% * 72.5859% (0.95 10.0 10.00 4.00 69.25) = 72.586% kept T QB ALA 47 - HA VAL 42 16.667% * 27.0889% (1.00 1.0 10.00 0.71 0.44) = 27.089% kept T QB ALA 47 - HA PHE 55 16.667% * 0.1395% (0.18 1.0 10.00 0.02 0.02) = 0.140% T QG1 VAL 42 - HA PHE 55 16.667% * 0.1330% (0.17 1.0 10.00 0.02 0.02) = 0.133% HG2 LYS+ 112 - HA VAL 42 16.667% * 0.0445% (0.58 1.0 1.00 0.02 0.02) = 0.044% HG2 LYS+ 112 - HA PHE 55 16.667% * 0.0082% (0.11 1.0 1.00 0.02 0.11) = 0.008% Peak 416 (0.15, 4.44, 60.39 ppm): 4 chemical-shift based assignments, quality = 0.722, support = 3.94, residual support = 68.1: * O T QG2 VAL 42 - HA VAL 42 25.000% * 98.3380% (0.73 10.0 10.00 4.00 69.25) = 98.338% kept QG2 VAL 75 - HA VAL 42 25.000% * 1.4686% (0.53 1.0 1.00 0.41 0.11) = 1.469% kept T QG2 VAL 42 - HA PHE 55 25.000% * 0.1802% (0.13 1.0 10.00 0.02 0.02) = 0.180% QG2 VAL 75 - HA PHE 55 25.000% * 0.0133% (0.10 1.0 1.00 0.02 0.02) = 0.013% Peak 417 (4.44, 1.39, 32.90 ppm): 14 chemical-shift based assignments, quality = 0.775, support = 3.98, residual support = 60.9: * O T HA VAL 42 - HB VAL 42 7.143% * 88.0055% (0.81 10.0 10.00 4.47 69.25) = 88.005% kept T HA VAL 42 - HB2 LYS+ 112 7.143% * 11.1043% (0.52 1.0 10.00 0.40 0.02) = 11.104% kept T HA PHE 55 - HB VAL 42 7.143% * 0.3879% (0.36 1.0 10.00 0.02 0.02) = 0.388% T HA PHE 55 - HB2 LYS+ 112 7.143% * 0.2470% (0.23 1.0 10.00 0.02 0.11) = 0.247% HA GLN 17 - HB VAL 42 7.143% * 0.0428% (0.40 1.0 1.00 0.02 0.02) = 0.043% HA SER 37 - HB VAL 42 7.143% * 0.0428% (0.40 1.0 1.00 0.02 0.02) = 0.043% HA THR 46 - HB VAL 42 7.143% * 0.0349% (0.32 1.0 1.00 0.02 0.26) = 0.035% HA GLN 17 - HB2 LYS+ 112 7.143% * 0.0273% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA SER 37 - HB2 LYS+ 112 7.143% * 0.0273% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA THR 46 - HB2 LYS+ 112 7.143% * 0.0222% (0.21 1.0 1.00 0.02 0.64) = 0.022% HA GLN 90 - HB VAL 42 7.143% * 0.0215% (0.20 1.0 1.00 0.02 0.02) = 0.021% HA ALA 110 - HB VAL 42 7.143% * 0.0139% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA GLN 90 - HB2 LYS+ 112 7.143% * 0.0137% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ALA 110 - HB2 LYS+ 112 7.143% * 0.0089% (0.08 1.0 1.00 0.02 0.02) = 0.009% Peak 418 (1.39, 1.39, 32.90 ppm): 2 diagonal assignments: * HB VAL 42 - HB VAL 42 (0.66) kept HB2 LYS+ 112 - HB2 LYS+ 112 (0.30) kept Peak 419 (0.37, 1.39, 32.90 ppm): 6 chemical-shift based assignments, quality = 0.655, support = 3.96, residual support = 80.8: * O T QG1 VAL 42 - HB VAL 42 16.667% * 54.9397% (0.77 10.0 10.00 4.42 69.25) = 54.940% kept O T HG2 LYS+ 112 - HB2 LYS+ 112 16.667% * 21.4438% (0.30 10.0 10.00 6.58 199.22) = 21.444% kept T QB ALA 47 - HB VAL 42 16.667% * 16.4087% (0.81 1.0 10.00 0.57 0.44) = 16.409% kept T QG1 VAL 42 - HB2 LYS+ 112 16.667% * 6.5041% (0.49 1.0 10.00 0.37 0.02) = 6.504% kept T QB ALA 47 - HB2 LYS+ 112 16.667% * 0.3671% (0.52 1.0 10.00 0.02 0.02) = 0.367% T HG2 LYS+ 112 - HB VAL 42 16.667% * 0.3367% (0.47 1.0 10.00 0.02 0.02) = 0.337% Peak 420 (0.15, 1.39, 32.90 ppm): 4 chemical-shift based assignments, quality = 0.57, support = 3.84, residual support = 63.0: * O T QG2 VAL 42 - HB VAL 42 25.000% * 91.0442% (0.59 10.0 10.00 4.20 69.25) = 91.044% kept T QG2 VAL 42 - HB2 LYS+ 112 25.000% * 8.2059% (0.38 1.0 10.00 0.28 0.02) = 8.206% kept QG2 VAL 75 - HB VAL 42 25.000% * 0.7072% (0.44 1.0 1.00 0.21 0.11) = 0.707% QG2 VAL 75 - HB2 LYS+ 112 25.000% * 0.0426% (0.28 1.0 1.00 0.02 0.02) = 0.043% Peak 422 (1.39, 0.37, 21.48 ppm): 24 chemical-shift based assignments, quality = 0.725, support = 3.24, residual support = 48.5: * O T HB VAL 42 - QG1 VAL 42 4.167% * 69.8189% (0.77 10.0 10.00 4.42 69.25) = 69.819% kept T HB VAL 42 - QB ALA 47 4.167% * 17.4175% (0.68 1.0 10.00 0.57 0.44) = 17.418% kept T HB2 LYS+ 112 - QG1 VAL 42 4.167% * 9.2748% (0.55 1.0 10.00 0.37 0.02) = 9.275% kept HB3 LEU 73 - QG1 VAL 42 4.167% * 2.1436% (0.69 1.0 1.00 0.69 1.44) = 2.144% kept T HB2 LYS+ 112 - QB ALA 47 4.167% * 0.4372% (0.48 1.0 10.00 0.02 0.02) = 0.437% QB ALA 12 - QG1 VAL 42 4.167% * 0.0814% (0.90 1.0 1.00 0.02 0.02) = 0.081% HG3 LYS+ 33 - QG1 VAL 42 4.167% * 0.0764% (0.85 1.0 1.00 0.02 0.02) = 0.076% QB ALA 12 - QB ALA 47 4.167% * 0.0713% (0.79 1.0 1.00 0.02 0.02) = 0.071% HG3 LYS+ 65 - QG1 VAL 42 4.167% * 0.0698% (0.77 1.0 1.00 0.02 0.02) = 0.070% HG3 LYS+ 33 - QB ALA 47 4.167% * 0.0669% (0.74 1.0 1.00 0.02 0.02) = 0.067% HG3 LYS+ 65 - QB ALA 47 4.167% * 0.0612% (0.68 1.0 1.00 0.02 0.02) = 0.061% QB LEU 98 - QG1 VAL 42 4.167% * 0.0582% (0.65 1.0 1.00 0.02 0.11) = 0.058% HG3 LYS+ 102 - QG1 VAL 42 4.167% * 0.0582% (0.65 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 73 - QB ALA 47 4.167% * 0.0545% (0.60 1.0 1.00 0.02 0.02) = 0.055% QB LEU 98 - QB ALA 47 4.167% * 0.0510% (0.57 1.0 1.00 0.02 0.02) = 0.051% HG3 LYS+ 102 - QB ALA 47 4.167% * 0.0510% (0.57 1.0 1.00 0.02 0.02) = 0.051% HG3 LYS+ 106 - QG1 VAL 42 4.167% * 0.0378% (0.42 1.0 1.00 0.02 1.06) = 0.038% HG3 LYS+ 106 - QB ALA 47 4.167% * 0.0331% (0.37 1.0 1.00 0.02 0.02) = 0.033% HB3 LYS+ 74 - QG1 VAL 42 4.167% * 0.0304% (0.34 1.0 1.00 0.02 0.02) = 0.030% HD3 LYS+ 121 - QG1 VAL 42 4.167% * 0.0270% (0.30 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 74 - QB ALA 47 4.167% * 0.0266% (0.30 1.0 1.00 0.02 0.02) = 0.027% HD3 LYS+ 121 - QB ALA 47 4.167% * 0.0237% (0.26 1.0 1.00 0.02 0.02) = 0.024% HB2 LEU 80 - QG1 VAL 42 4.167% * 0.0158% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB2 LEU 80 - QB ALA 47 4.167% * 0.0138% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 423 (0.37, 0.37, 21.48 ppm): 2 diagonal assignments: * QG1 VAL 42 - QG1 VAL 42 (0.90) kept QB ALA 47 - QB ALA 47 (0.83) kept Peak 424 (0.15, 0.37, 21.48 ppm): 4 chemical-shift based assignments, quality = 0.669, support = 3.23, residual support = 53.5: * O T QG2 VAL 42 - QG1 VAL 42 25.000% * 77.1591% (0.69 10.0 10.00 4.00 69.25) = 77.159% kept T QG2 VAL 42 - QB ALA 47 25.000% * 21.7100% (0.60 1.0 10.00 0.64 0.44) = 21.710% kept QG2 VAL 75 - QG1 VAL 42 25.000% * 1.0811% (0.51 1.0 1.00 0.38 0.11) = 1.081% kept QG2 VAL 75 - QB ALA 47 25.000% * 0.0497% (0.44 1.0 1.00 0.02 0.02) = 0.050% Peak 425 (4.44, 0.15, 20.83 ppm): 7 chemical-shift based assignments, quality = 0.722, support = 3.98, residual support = 68.8: * O T HA VAL 42 - QG2 VAL 42 14.286% * 99.3858% (0.73 10.0 10.00 4.00 69.25) = 99.386% kept T HA PHE 55 - QG2 VAL 42 14.286% * 0.4381% (0.32 1.0 10.00 0.02 0.02) = 0.438% HA GLN 17 - QG2 VAL 42 14.286% * 0.0484% (0.35 1.0 1.00 0.02 0.02) = 0.048% HA SER 37 - QG2 VAL 42 14.286% * 0.0484% (0.35 1.0 1.00 0.02 0.02) = 0.048% HA THR 46 - QG2 VAL 42 14.286% * 0.0394% (0.29 1.0 1.00 0.02 0.26) = 0.039% HA GLN 90 - QG2 VAL 42 14.286% * 0.0242% (0.18 1.0 1.00 0.02 0.02) = 0.024% HA ALA 110 - QG2 VAL 42 14.286% * 0.0157% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 426 (1.39, 0.15, 20.83 ppm): 12 chemical-shift based assignments, quality = 0.564, support = 3.64, residual support = 59.1: * O T HB VAL 42 - QG2 VAL 42 8.333% * 85.3143% (0.59 10.0 10.00 4.20 69.25) = 85.314% kept T HB2 LYS+ 112 - QG2 VAL 42 8.333% * 8.6283% (0.42 1.0 10.00 0.28 0.02) = 8.628% kept HB3 LEU 73 - QG2 VAL 42 8.333% * 2.5997% (0.53 1.0 1.00 0.68 1.44) = 2.600% kept HG3 LYS+ 106 - QG2 VAL 42 8.333% * 1.7503% (0.32 1.0 1.00 0.76 1.06) = 1.750% kept HB3 LYS+ 74 - QG2 VAL 42 8.333% * 1.2348% (0.26 1.0 1.00 0.67 0.02) = 1.235% kept QB ALA 12 - QG2 VAL 42 8.333% * 0.0995% (0.69 1.0 1.00 0.02 0.02) = 0.099% HG3 LYS+ 33 - QG2 VAL 42 8.333% * 0.0933% (0.65 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 65 - QG2 VAL 42 8.333% * 0.0853% (0.59 1.0 1.00 0.02 0.02) = 0.085% QB LEU 98 - QG2 VAL 42 8.333% * 0.0711% (0.49 1.0 1.00 0.02 0.11) = 0.071% HG3 LYS+ 102 - QG2 VAL 42 8.333% * 0.0711% (0.49 1.0 1.00 0.02 0.02) = 0.071% HD3 LYS+ 121 - QG2 VAL 42 8.333% * 0.0330% (0.23 1.0 1.00 0.02 0.02) = 0.033% HB2 LEU 80 - QG2 VAL 42 8.333% * 0.0193% (0.13 1.0 1.00 0.02 0.02) = 0.019% Peak 427 (0.37, 0.15, 20.83 ppm): 3 chemical-shift based assignments, quality = 0.698, support = 3.15, residual support = 51.9: * O T QG1 VAL 42 - QG2 VAL 42 33.333% * 74.7680% (0.69 10.0 10.00 4.00 69.25) = 74.768% kept T QB ALA 47 - QG2 VAL 42 33.333% * 25.1862% (0.72 1.0 10.00 0.64 0.44) = 25.186% kept HG2 LYS+ 112 - QG2 VAL 42 33.333% * 0.0458% (0.42 1.0 1.00 0.02 0.02) = 0.046% Peak 428 (0.15, 0.15, 20.83 ppm): 1 diagonal assignment: * QG2 VAL 42 - QG2 VAL 42 (0.53) kept Peak 429 (4.67, 4.67, 60.29 ppm): 1 diagonal assignment: * HA VAL 43 - HA VAL 43 (1.00) kept Peak 430 (1.77, 4.67, 60.29 ppm): 4 chemical-shift based assignments, quality = 0.948, support = 3.29, residual support = 52.0: * O T HB VAL 43 - HA VAL 43 25.000% * 99.7500% (0.95 10.0 10.00 3.30 52.10) = 99.750% kept HB2 LYS+ 99 - HA VAL 43 25.000% * 0.1047% (1.00 1.0 1.00 0.02 0.02) = 0.105% QD LYS+ 81 - HA VAL 43 25.000% * 0.1037% (0.99 1.0 1.00 0.02 0.02) = 0.104% HB3 GLN 17 - HA VAL 43 25.000% * 0.0416% (0.40 1.0 1.00 0.02 0.02) = 0.042% Peak 431 (0.76, 4.67, 60.29 ppm): 7 chemical-shift based assignments, quality = 0.838, support = 4.14, residual support = 49.1: * O T QG1 VAL 43 - HA VAL 43 14.286% * 94.0123% (0.85 10.0 10.00 4.36 52.10) = 94.012% kept QD2 LEU 73 - HA VAL 43 14.286% * 2.6070% (0.40 1.0 1.00 1.20 2.21) = 2.607% kept QG1 VAL 41 - HA VAL 43 14.286% * 2.4134% (0.99 1.0 1.00 0.44 1.59) = 2.413% kept QG2 THR 46 - HA VAL 43 14.286% * 0.8218% (0.44 1.0 1.00 0.34 0.02) = 0.822% HG LEU 31 - HA VAL 43 14.286% * 0.0640% (0.58 1.0 1.00 0.02 0.89) = 0.064% QG2 VAL 18 - HA VAL 43 14.286% * 0.0640% (0.58 1.0 1.00 0.02 0.02) = 0.064% QD1 ILE 56 - HA VAL 43 14.286% * 0.0174% (0.16 1.0 1.00 0.02 0.16) = 0.017% Peak 432 (0.06, 4.67, 60.29 ppm): 3 chemical-shift based assignments, quality = 0.599, support = 2.3, residual support = 34.7: * O T QG2 VAL 43 - HA VAL 43 33.333% * 65.9327% (0.58 10.0 10.00 3.00 52.10) = 65.933% kept T QD2 LEU 31 - HA VAL 43 33.333% * 34.0494% (0.63 1.0 10.00 0.95 0.89) = 34.049% kept QG2 VAL 83 - HA VAL 43 33.333% * 0.0179% (0.16 1.0 1.00 0.02 0.02) = 0.018% Peak 433 (4.67, 1.77, 34.62 ppm): 3 chemical-shift based assignments, quality = 0.949, support = 3.29, residual support = 52.0: * O T HA VAL 43 - HB VAL 43 33.333% * 99.8421% (0.95 10.0 10.00 3.30 52.10) = 99.842% kept HA ASN 69 - HB VAL 43 33.333% * 0.0854% (0.81 1.0 1.00 0.02 0.02) = 0.085% HA HIS 22 - HB VAL 43 33.333% * 0.0725% (0.69 1.0 1.00 0.02 0.02) = 0.073% Peak 434 (1.77, 1.77, 34.62 ppm): 1 diagonal assignment: * HB VAL 43 - HB VAL 43 (0.90) kept Peak 435 (0.76, 1.77, 34.62 ppm): 7 chemical-shift based assignments, quality = 0.806, support = 3.63, residual support = 49.5: * O T QG1 VAL 43 - HB VAL 43 14.286% * 95.0017% (0.81 10.0 10.00 3.80 52.10) = 95.002% kept QG1 VAL 41 - HB VAL 43 14.286% * 3.1314% (0.94 1.0 1.00 0.57 1.59) = 3.131% kept QG2 THR 46 - HB VAL 43 14.286% * 1.0935% (0.42 1.0 1.00 0.45 0.02) = 1.093% kept T QG2 VAL 18 - HB VAL 43 14.286% * 0.6471% (0.55 1.0 10.00 0.02 0.02) = 0.647% HG LEU 31 - HB VAL 43 14.286% * 0.0647% (0.55 1.0 1.00 0.02 0.89) = 0.065% QD2 LEU 73 - HB VAL 43 14.286% * 0.0441% (0.38 1.0 1.00 0.02 2.21) = 0.044% QD1 ILE 56 - HB VAL 43 14.286% * 0.0176% (0.15 1.0 1.00 0.02 0.16) = 0.018% Peak 436 (0.06, 1.77, 34.62 ppm): 3 chemical-shift based assignments, quality = 0.568, support = 2.18, residual support = 35.5: * O T QG2 VAL 43 - HB VAL 43 33.333% * 67.6775% (0.55 10.0 10.00 2.80 52.10) = 67.677% kept T QD2 LEU 31 - HB VAL 43 33.333% * 32.3041% (0.60 1.0 10.00 0.88 0.89) = 32.304% kept QG2 VAL 83 - HB VAL 43 33.333% * 0.0184% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 437 (4.67, 0.76, 21.16 ppm): 3 chemical-shift based assignments, quality = 0.854, support = 4.36, residual support = 52.0: * O T HA VAL 43 - QG1 VAL 43 33.333% * 99.8421% (0.85 10.0 10.00 4.36 52.10) = 99.842% kept HA ASN 69 - QG1 VAL 43 33.333% * 0.0854% (0.73 1.0 1.00 0.02 0.02) = 0.085% HA HIS 22 - QG1 VAL 43 33.333% * 0.0725% (0.62 1.0 1.00 0.02 0.02) = 0.073% Peak 438 (1.77, 0.76, 21.16 ppm): 4 chemical-shift based assignments, quality = 0.81, support = 3.79, residual support = 52.0: * O T HB VAL 43 - QG1 VAL 43 25.000% * 99.7500% (0.81 10.0 10.00 3.80 52.10) = 99.750% kept HB2 LYS+ 99 - QG1 VAL 43 25.000% * 0.1047% (0.85 1.0 1.00 0.02 0.02) = 0.105% QD LYS+ 81 - QG1 VAL 43 25.000% * 0.1037% (0.84 1.0 1.00 0.02 0.02) = 0.104% HB3 GLN 17 - QG1 VAL 43 25.000% * 0.0416% (0.34 1.0 1.00 0.02 0.02) = 0.042% Peak 439 (0.76, 0.76, 21.16 ppm): 1 diagonal assignment: * QG1 VAL 43 - QG1 VAL 43 (0.73) kept Peak 440 (0.06, 0.76, 21.16 ppm): 3 chemical-shift based assignments, quality = 0.513, support = 2.87, residual support = 33.7: * O T QG2 VAL 43 - QG1 VAL 43 33.333% * 64.0772% (0.50 10.0 10.00 3.90 52.10) = 64.077% kept T QD2 LEU 31 - QG1 VAL 43 33.333% * 35.9053% (0.54 1.0 10.00 1.03 0.89) = 35.905% kept QG2 VAL 83 - QG1 VAL 43 33.333% * 0.0174% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 442 (1.77, 0.06, 21.48 ppm): 8 chemical-shift based assignments, quality = 0.55, support = 2.79, residual support = 51.8: * O T HB VAL 43 - QG2 VAL 43 12.500% * 99.3855% (0.55 10.0 10.00 2.80 52.10) = 99.386% kept T HB VAL 43 - QD2 LEU 31 12.500% * 0.2922% (0.16 1.0 10.00 0.02 0.89) = 0.292% HB2 LYS+ 99 - QG2 VAL 43 12.500% * 0.1043% (0.58 1.0 1.00 0.02 0.02) = 0.104% QD LYS+ 81 - QG2 VAL 43 12.500% * 0.1033% (0.57 1.0 1.00 0.02 0.02) = 0.103% HB3 GLN 17 - QG2 VAL 43 12.500% * 0.0415% (0.23 1.0 1.00 0.02 0.02) = 0.041% HB2 LYS+ 99 - QD2 LEU 31 12.500% * 0.0307% (0.17 1.0 1.00 0.02 0.02) = 0.031% QD LYS+ 81 - QD2 LEU 31 12.500% * 0.0304% (0.17 1.0 1.00 0.02 0.02) = 0.030% HB3 GLN 17 - QD2 LEU 31 12.500% * 0.0122% (0.07 1.0 1.00 0.02 0.02) = 0.012% Peak 443 (0.76, 0.06, 21.48 ppm): 14 chemical-shift based assignments, quality = 0.392, support = 3.62, residual support = 64.6: * O T QG1 VAL 43 - QG2 VAL 43 7.143% * 71.4343% (0.50 10.0 10.00 3.90 52.10) = 71.434% kept O T HG LEU 31 - QD2 LEU 31 7.143% * 14.3058% (0.10 10.0 10.00 4.90 190.40) = 14.306% kept T QG1 VAL 43 - QD2 LEU 31 7.143% * 10.8641% (0.15 1.0 10.00 1.03 0.89) = 10.864% kept HG LEU 31 - QG2 VAL 43 7.143% * 1.8246% (0.34 1.0 1.00 0.75 0.89) = 1.825% kept QG1 VAL 41 - QG2 VAL 43 7.143% * 0.9662% (0.57 1.0 1.00 0.23 1.59) = 0.966% QD2 LEU 73 - QD2 LEU 31 7.143% * 0.3480% (0.07 1.0 1.00 0.71 0.74) = 0.348% QD1 ILE 56 - QD2 LEU 31 7.143% * 0.0758% (0.03 1.0 1.00 0.39 0.11) = 0.076% QG2 VAL 18 - QG2 VAL 43 7.143% * 0.0487% (0.34 1.0 1.00 0.02 0.02) = 0.049% QG2 THR 46 - QG2 VAL 43 7.143% * 0.0368% (0.26 1.0 1.00 0.02 0.02) = 0.037% QD2 LEU 73 - QG2 VAL 43 7.143% * 0.0331% (0.23 1.0 1.00 0.02 2.21) = 0.033% QG1 VAL 41 - QD2 LEU 31 7.143% * 0.0243% (0.17 1.0 1.00 0.02 0.02) = 0.024% QG2 VAL 18 - QD2 LEU 31 7.143% * 0.0143% (0.10 1.0 1.00 0.02 0.02) = 0.014% QD1 ILE 56 - QG2 VAL 43 7.143% * 0.0132% (0.09 1.0 1.00 0.02 0.16) = 0.013% QG2 THR 46 - QD2 LEU 31 7.143% * 0.0108% (0.08 1.0 1.00 0.02 0.02) = 0.011% Peak 444 (0.06, 0.06, 21.48 ppm): 2 diagonal assignments: * QG2 VAL 43 - QG2 VAL 43 (0.34) kept QD2 LEU 31 - QD2 LEU 31 (0.11) kept Peak 445 (4.29, 4.29, 51.33 ppm): 1 diagonal assignment: * HA ASP- 44 - HA ASP- 44 (1.00) kept Peak 446 (2.27, 4.29, 51.33 ppm): 8 chemical-shift based assignments, quality = 0.974, support = 2.46, residual support = 35.5: * O T HB2 ASP- 44 - HA ASP- 44 12.500% * 97.3578% (1.00 10.0 10.00 2.53 36.51) = 97.358% kept T QG GLU- 14 - HA ASP- 44 12.500% * 0.9705% (1.00 1.0 10.00 0.02 0.02) = 0.970% T QG GLU- 15 - HA ASP- 44 12.500% * 0.9459% (0.97 1.0 10.00 0.02 0.02) = 0.946% T QB MET 11 - HA ASP- 44 12.500% * 0.4739% (0.49 1.0 10.00 0.02 0.02) = 0.474% HB3 PHE 72 - HA ASP- 44 12.500% * 0.0946% (0.97 1.0 1.00 0.02 0.02) = 0.095% QG GLN 90 - HA ASP- 44 12.500% * 0.0899% (0.92 1.0 1.00 0.02 0.02) = 0.090% HG12 ILE 119 - HA ASP- 44 12.500% * 0.0520% (0.53 1.0 1.00 0.02 0.02) = 0.052% HB2 GLU- 29 - HA ASP- 44 12.500% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 447 (1.34, 4.29, 51.33 ppm): 11 chemical-shift based assignments, quality = 0.98, support = 3.27, residual support = 35.5: * O T HB3 ASP- 44 - HA ASP- 44 9.091% * 97.1425% (1.00 10.0 10.00 3.36 36.51) = 97.142% kept HG2 LYS+ 111 - HA ASP- 44 9.091% * 1.3339% (0.63 1.0 1.00 0.44 0.33) = 1.334% kept HG2 LYS+ 99 - HA ASP- 44 9.091% * 0.9396% (0.31 1.0 1.00 0.61 0.02) = 0.940% HB2 LEU 63 - HA ASP- 44 9.091% * 0.0944% (0.97 1.0 1.00 0.02 0.02) = 0.094% QB ALA 124 - HA ASP- 44 9.091% * 0.0923% (0.95 1.0 1.00 0.02 0.02) = 0.092% HB3 LEU 80 - HA ASP- 44 9.091% * 0.0866% (0.89 1.0 1.00 0.02 0.02) = 0.087% HG LEU 98 - HA ASP- 44 9.091% * 0.0830% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB2 LEU 31 - HA ASP- 44 9.091% * 0.0705% (0.73 1.0 1.00 0.02 0.25) = 0.071% QB ALA 84 - HA ASP- 44 9.091% * 0.0705% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 PRO 93 - HA ASP- 44 9.091% * 0.0660% (0.68 1.0 1.00 0.02 0.02) = 0.066% HG2 LYS+ 38 - HA ASP- 44 9.091% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 448 (4.29, 2.27, 38.87 ppm): 11 chemical-shift based assignments, quality = 0.983, support = 2.48, residual support = 35.9: * O T HA ASP- 44 - HB2 ASP- 44 9.091% * 98.3153% (1.00 10.0 10.00 2.53 36.51) = 98.315% kept T HA MET 11 - HB2 ASP- 44 9.091% * 0.9800% (1.00 1.0 10.00 0.02 0.02) = 0.980% T HA GLU- 14 - HB2 ASP- 44 9.091% * 0.2397% (0.24 1.0 10.00 0.02 0.02) = 0.240% HA SER 85 - HB2 ASP- 44 9.091% * 0.0971% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB THR 77 - HB2 ASP- 44 9.091% * 0.0971% (0.99 1.0 1.00 0.02 0.02) = 0.097% HA ILE 103 - HB2 ASP- 44 9.091% * 0.0908% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA GLU- 79 - HB2 ASP- 44 9.091% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA THR 39 - HB2 ASP- 44 9.091% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA ALA 12 - HB2 ASP- 44 9.091% * 0.0349% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA ASP- 86 - HB2 ASP- 44 9.091% * 0.0310% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 51 - HB2 ASP- 44 9.091% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 449 (2.27, 2.27, 38.87 ppm): 1 diagonal assignment: * HB2 ASP- 44 - HB2 ASP- 44 (1.00) kept Peak 450 (1.34, 2.27, 38.87 ppm): 11 chemical-shift based assignments, quality = 0.986, support = 2.53, residual support = 35.4: * O T HB3 ASP- 44 - HB2 ASP- 44 9.091% * 96.8569% (1.00 10.0 10.00 2.59 36.51) = 96.857% kept HB3 PRO 93 - HB2 ASP- 44 9.091% * 2.5350% (0.68 1.0 1.00 0.77 0.02) = 2.535% kept HB2 LEU 63 - HB2 ASP- 44 9.091% * 0.0941% (0.97 1.0 1.00 0.02 0.02) = 0.094% QB ALA 124 - HB2 ASP- 44 9.091% * 0.0920% (0.95 1.0 1.00 0.02 0.02) = 0.092% HB3 LEU 80 - HB2 ASP- 44 9.091% * 0.0863% (0.89 1.0 1.00 0.02 0.02) = 0.086% HG LEU 98 - HB2 ASP- 44 9.091% * 0.0828% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB2 LEU 31 - HB2 ASP- 44 9.091% * 0.0703% (0.73 1.0 1.00 0.02 0.25) = 0.070% QB ALA 84 - HB2 ASP- 44 9.091% * 0.0703% (0.73 1.0 1.00 0.02 0.02) = 0.070% HG2 LYS+ 111 - HB2 ASP- 44 9.091% * 0.0611% (0.63 1.0 1.00 0.02 0.33) = 0.061% HG2 LYS+ 99 - HB2 ASP- 44 9.091% * 0.0305% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 38 - HB2 ASP- 44 9.091% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 451 (4.29, 1.34, 38.87 ppm): 11 chemical-shift based assignments, quality = 0.994, support = 3.34, residual support = 36.3: * O T HA ASP- 44 - HB3 ASP- 44 9.091% * 99.4066% (1.00 10.0 10.00 3.36 36.51) = 99.407% kept HA MET 11 - HB3 ASP- 44 9.091% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA SER 85 - HB3 ASP- 44 9.091% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB THR 77 - HB3 ASP- 44 9.091% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA ILE 103 - HB3 ASP- 44 9.091% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA GLU- 79 - HB3 ASP- 44 9.091% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA THR 39 - HB3 ASP- 44 9.091% * 0.0394% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA ALA 12 - HB3 ASP- 44 9.091% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA ASP- 86 - HB3 ASP- 44 9.091% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 51 - HB3 ASP- 44 9.091% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HA GLU- 14 - HB3 ASP- 44 9.091% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 452 (2.27, 1.34, 38.87 ppm): 8 chemical-shift based assignments, quality = 0.995, support = 2.58, residual support = 36.3: * O T HB2 ASP- 44 - HB3 ASP- 44 12.500% * 99.4983% (1.00 10.0 10.00 2.59 36.51) = 99.498% kept QG GLU- 14 - HB3 ASP- 44 12.500% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 PHE 72 - HB3 ASP- 44 12.500% * 0.0967% (0.97 1.0 1.00 0.02 0.02) = 0.097% QG GLU- 15 - HB3 ASP- 44 12.500% * 0.0967% (0.97 1.0 1.00 0.02 0.02) = 0.097% QG GLN 90 - HB3 ASP- 44 12.500% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG12 ILE 119 - HB3 ASP- 44 12.500% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB MET 11 - HB3 ASP- 44 12.500% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 GLU- 29 - HB3 ASP- 44 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 453 (1.34, 1.34, 38.87 ppm): 1 diagonal assignment: * HB3 ASP- 44 - HB3 ASP- 44 (1.00) kept Peak 454 (4.86, 4.86, 58.73 ppm): 1 diagonal assignment: * HA PHE 45 - HA PHE 45 (1.00) kept Peak 455 (3.05, 4.86, 58.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 66.5: * O T HB2 PHE 45 - HA PHE 45 33.333% * 99.8834% (1.00 10.0 10.00 3.31 66.57) = 99.883% kept QE LYS+ 111 - HA PHE 45 33.333% * 0.0922% (0.92 1.0 1.00 0.02 2.94) = 0.092% HB2 CYS 21 - HA PHE 45 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 456 (2.42, 4.86, 58.73 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.92, residual support = 66.4: * O T HB3 PHE 45 - HA PHE 45 20.000% * 99.7439% (1.00 10.0 10.00 3.93 66.57) = 99.744% kept QE LYS+ 112 - HA PHE 45 20.000% * 0.0997% (1.00 1.0 1.00 0.02 0.39) = 0.100% HB VAL 107 - HA PHE 45 20.000% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HG2 GLU- 29 - HA PHE 45 20.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 86 - HA PHE 45 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 457 (4.86, 3.05, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.28, residual support = 65.8: * O T HA PHE 45 - HB2 PHE 45 33.333% * 98.8763% (1.00 10.0 10.00 3.31 66.57) = 98.876% kept HA VAL 41 - HB2 PHE 45 33.333% * 1.1103% (0.49 1.0 1.00 0.46 0.30) = 1.110% kept HA HIS 122 - HB2 PHE 45 33.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 458 (3.05, 3.05, 39.30 ppm): 1 diagonal assignment: * HB2 PHE 45 - HB2 PHE 45 (1.00) kept Peak 459 (2.42, 3.05, 39.30 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.28, residual support = 66.4: * O T HB3 PHE 45 - HB2 PHE 45 20.000% * 99.7439% (1.00 10.0 10.00 3.29 66.57) = 99.744% kept QE LYS+ 112 - HB2 PHE 45 20.000% * 0.0997% (1.00 1.0 1.00 0.02 0.39) = 0.100% HB VAL 107 - HB2 PHE 45 20.000% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HG2 GLU- 29 - HB2 PHE 45 20.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 86 - HB2 PHE 45 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 460 (4.86, 2.42, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.89, residual support = 65.8: * O T HA PHE 45 - HB3 PHE 45 33.333% * 98.8909% (1.00 10.0 10.00 3.93 66.57) = 98.891% kept HA VAL 41 - HB3 PHE 45 33.333% * 1.0957% (0.49 1.0 1.00 0.46 0.30) = 1.096% kept HA HIS 122 - HB3 PHE 45 33.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 461 (3.05, 2.42, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.29, residual support = 66.5: * O T HB2 PHE 45 - HB3 PHE 45 33.333% * 99.8834% (1.00 10.0 10.00 3.29 66.57) = 99.883% kept QE LYS+ 111 - HB3 PHE 45 33.333% * 0.0922% (0.92 1.0 1.00 0.02 2.94) = 0.092% HB2 CYS 21 - HB3 PHE 45 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 462 (2.42, 2.42, 39.30 ppm): 1 diagonal assignment: * HB3 PHE 45 - HB3 PHE 45 (1.00) kept Peak 463 (4.42, 4.42, 58.68 ppm): 3 diagonal assignments: * HA THR 46 - HA THR 46 (1.00) kept HA SER 37 - HA SER 37 (0.97) kept HA SER 13 - HA SER 13 (0.27) kept Peak 464 (3.44, 4.42, 58.68 ppm): 9 chemical-shift based assignments, quality = 0.975, support = 2.54, residual support = 24.0: * O T HB THR 46 - HA THR 46 11.111% * 94.9350% (1.00 10.0 10.00 2.65 25.27) = 94.935% kept HB2 HIS 122 - HA THR 46 11.111% * 2.2977% (0.85 1.0 1.00 0.57 0.88) = 2.298% kept HA LYS+ 112 - HA THR 46 11.111% * 1.1600% (0.53 1.0 1.00 0.46 0.64) = 1.160% kept T HB THR 46 - HA SER 37 11.111% * 0.9370% (0.99 1.0 10.00 0.02 0.02) = 0.937% T HB THR 46 - HA SER 13 11.111% * 0.4744% (0.50 1.0 10.00 0.02 0.02) = 0.474% HB2 HIS 122 - HA SER 37 11.111% * 0.0801% (0.84 1.0 1.00 0.02 0.02) = 0.080% HA LYS+ 112 - HA SER 37 11.111% * 0.0500% (0.53 1.0 1.00 0.02 0.02) = 0.050% HB2 HIS 122 - HA SER 13 11.111% * 0.0406% (0.43 1.0 1.00 0.02 0.02) = 0.041% HA LYS+ 112 - HA SER 13 11.111% * 0.0253% (0.27 1.0 1.00 0.02 0.02) = 0.025% Peak 465 (0.75, 4.42, 58.68 ppm): 18 chemical-shift based assignments, quality = 0.969, support = 2.8, residual support = 23.2: * O T QG2 THR 46 - HA THR 46 5.556% * 91.5806% (1.00 10.0 10.00 3.00 25.27) = 91.581% kept QG2 VAL 18 - HA THR 46 5.556% * 4.6511% (0.97 1.0 1.00 1.05 0.77) = 4.651% kept QD1 ILE 19 - HA THR 46 5.556% * 1.0446% (0.77 1.0 1.00 0.30 1.78) = 1.045% kept T QG2 THR 46 - HA SER 37 5.556% * 0.9039% (0.99 1.0 10.00 0.02 0.02) = 0.904% QG1 VAL 43 - HA THR 46 5.556% * 0.7655% (0.77 1.0 1.00 0.22 0.02) = 0.766% T QG2 THR 46 - HA SER 13 5.556% * 0.4576% (0.50 1.0 10.00 0.02 0.02) = 0.458% QG2 VAL 18 - HA SER 37 5.556% * 0.0878% (0.96 1.0 1.00 0.02 0.02) = 0.088% QG1 VAL 43 - HA SER 37 5.556% * 0.0697% (0.76 1.0 1.00 0.02 0.02) = 0.070% QD1 ILE 19 - HA SER 37 5.556% * 0.0697% (0.76 1.0 1.00 0.02 0.02) = 0.070% QD2 LEU 104 - HA THR 46 5.556% * 0.0533% (0.58 1.0 1.00 0.02 0.02) = 0.053% QD2 LEU 104 - HA SER 37 5.556% * 0.0526% (0.57 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 41 - HA THR 46 5.556% * 0.0489% (0.53 1.0 1.00 0.02 0.02) = 0.049% QG1 VAL 41 - HA SER 37 5.556% * 0.0483% (0.53 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 18 - HA SER 13 5.556% * 0.0445% (0.49 1.0 1.00 0.02 0.02) = 0.044% QD1 ILE 19 - HA SER 13 5.556% * 0.0353% (0.39 1.0 1.00 0.02 0.02) = 0.035% QG1 VAL 43 - HA SER 13 5.556% * 0.0353% (0.39 1.0 1.00 0.02 0.02) = 0.035% QD2 LEU 104 - HA SER 13 5.556% * 0.0266% (0.29 1.0 1.00 0.02 0.02) = 0.027% QG1 VAL 41 - HA SER 13 5.556% * 0.0244% (0.27 1.0 1.00 0.02 0.02) = 0.024% Peak 466 (4.42, 3.44, 70.99 ppm): 8 chemical-shift based assignments, quality = 0.982, support = 2.61, residual support = 24.8: * O T HA THR 46 - HB THR 46 12.500% * 98.2383% (1.00 10.0 10.00 2.65 25.27) = 98.238% kept T HA SER 37 - HB THR 46 12.500% * 0.9699% (0.99 1.0 10.00 0.02 0.02) = 0.970% T HA SER 13 - HB THR 46 12.500% * 0.5247% (0.53 1.0 10.00 0.02 0.02) = 0.525% HA GLN 17 - HB THR 46 12.500% * 0.0970% (0.99 1.0 1.00 0.02 0.02) = 0.097% HA GLU- 15 - HB THR 46 12.500% * 0.0525% (0.53 1.0 1.00 0.02 0.02) = 0.052% HA PRO 58 - HB THR 46 12.500% * 0.0478% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA VAL 42 - HB THR 46 12.500% * 0.0390% (0.40 1.0 1.00 0.02 0.26) = 0.039% HA LEU 40 - HB THR 46 12.500% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 467 (3.44, 3.44, 70.99 ppm): 1 diagonal assignment: * HB THR 46 - HB THR 46 (1.00) kept Peak 468 (0.75, 3.44, 70.99 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 2.61, residual support = 24.8: * O T QG2 THR 46 - HB THR 46 16.667% * 97.9686% (1.00 10.0 10.00 2.66 25.27) = 97.969% kept QG2 VAL 18 - HB THR 46 16.667% * 1.7708% (0.97 1.0 1.00 0.37 0.77) = 1.771% kept QG1 VAL 43 - HB THR 46 16.667% * 0.0756% (0.77 1.0 1.00 0.02 0.02) = 0.076% QD1 ILE 19 - HB THR 46 16.667% * 0.0756% (0.77 1.0 1.00 0.02 1.78) = 0.076% QD2 LEU 104 - HB THR 46 16.667% * 0.0570% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG1 VAL 41 - HB THR 46 16.667% * 0.0523% (0.53 1.0 1.00 0.02 0.02) = 0.052% Peak 469 (4.42, 0.75, 18.88 ppm): 8 chemical-shift based assignments, quality = 0.976, support = 2.92, residual support = 24.5: * O T HA THR 46 - QG2 THR 46 12.500% * 97.1195% (1.00 10.0 10.00 3.00 25.27) = 97.119% kept HA VAL 42 - QG2 THR 46 12.500% * 1.1773% (0.40 1.0 1.00 0.61 0.26) = 1.177% kept T HA SER 37 - QG2 THR 46 12.500% * 0.9588% (0.99 1.0 10.00 0.02 0.02) = 0.959% T HA SER 13 - QG2 THR 46 12.500% * 0.5187% (0.53 1.0 10.00 0.02 0.02) = 0.519% HA GLN 17 - QG2 THR 46 12.500% * 0.0959% (0.99 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 15 - QG2 THR 46 12.500% * 0.0519% (0.53 1.0 1.00 0.02 0.02) = 0.052% HA PRO 58 - QG2 THR 46 12.500% * 0.0473% (0.49 1.0 1.00 0.02 0.02) = 0.047% HA LEU 40 - QG2 THR 46 12.500% * 0.0306% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 470 (3.44, 0.75, 18.88 ppm): 3 chemical-shift based assignments, quality = 0.989, support = 2.58, residual support = 24.2: * O T HB THR 46 - QG2 THR 46 33.333% * 95.7571% (1.00 10.0 10.00 2.66 25.27) = 95.757% kept HB2 HIS 122 - QG2 THR 46 33.333% * 2.8195% (0.85 1.0 1.00 0.69 0.88) = 2.819% kept HA LYS+ 112 - QG2 THR 46 33.333% * 1.4234% (0.53 1.0 1.00 0.56 0.64) = 1.423% kept Peak 471 (0.75, 0.75, 18.88 ppm): 1 diagonal assignment: * QG2 THR 46 - QG2 THR 46 (1.00) kept Peak 472 (4.56, 4.56, 52.00 ppm): 1 diagonal assignment: * HA ALA 47 - HA ALA 47 (1.00) kept Peak 473 (0.37, 4.56, 52.00 ppm): 4 chemical-shift based assignments, quality = 0.909, support = 1.66, residual support = 7.77: * O T QB ALA 47 - HA ALA 47 25.000% * 87.3624% (0.92 10.0 10.00 1.85 8.82) = 87.362% kept T QG1 VAL 42 - HA ALA 47 25.000% * 12.5826% (0.81 1.0 10.00 0.33 0.44) = 12.583% kept HG2 LYS+ 112 - HA ALA 47 25.000% * 0.0375% (0.40 1.0 1.00 0.02 0.02) = 0.038% QB ALA 64 - HA ALA 47 25.000% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 474 (4.56, 0.37, 21.60 ppm): 10 chemical-shift based assignments, quality = 0.853, support = 1.68, residual support = 7.61: * O T HA ALA 47 - QB ALA 47 10.000% * 83.6599% (0.92 10.0 10.00 1.85 8.82) = 83.660% kept T HA ALA 47 - QG1 VAL 42 10.000% * 10.0645% (0.68 1.0 10.00 0.33 0.44) = 10.064% kept HA CYS 50 - QB ALA 47 10.000% * 2.5846% (0.29 1.0 1.00 1.96 2.90) = 2.585% kept HA TRP 49 - QB ALA 47 10.000% * 1.3811% (0.15 1.0 1.00 2.09 7.56) = 1.381% kept HA CYS 50 - QG1 VAL 42 10.000% * 1.3767% (0.21 1.0 1.00 1.42 0.51) = 1.377% kept HA TRP 49 - QG1 VAL 42 10.000% * 0.7516% (0.11 1.0 1.00 1.54 2.26) = 0.752% HA VAL 108 - QB ALA 47 10.000% * 0.0813% (0.90 1.0 1.00 0.02 0.02) = 0.081% HA VAL 108 - QG1 VAL 42 10.000% * 0.0599% (0.66 1.0 1.00 0.02 0.02) = 0.060% HA1 GLY 109 - QB ALA 47 10.000% * 0.0233% (0.26 1.0 1.00 0.02 0.02) = 0.023% HA1 GLY 109 - QG1 VAL 42 10.000% * 0.0171% (0.19 1.0 1.00 0.02 0.02) = 0.017% Peak 475 (0.37, 0.37, 21.60 ppm): 2 diagonal assignments: * QB ALA 47 - QB ALA 47 (0.85) kept QG1 VAL 42 - QG1 VAL 42 (0.55) kept Peak 476 (3.99, 3.99, 61.71 ppm): 2 diagonal assignments: * HA SER 48 - HA SER 48 (1.00) kept HB2 SER 82 - HB2 SER 82 (0.29) kept Peak 477 (3.94, 3.99, 61.71 ppm): 18 chemical-shift based assignments, quality = 0.964, support = 1.83, residual support = 10.0: * O T QB SER 48 - HA SER 48 5.556% * 96.0661% (1.00 10.0 10.00 1.90 10.44) = 96.066% kept T QB SER 117 - HB2 SER 82 5.556% * 1.7759% (0.21 1.0 10.00 0.17 0.02) = 1.776% kept T QB SER 117 - HA SER 48 5.556% * 0.5131% (0.53 1.0 10.00 0.02 0.02) = 0.513% T QB SER 85 - HA SER 48 5.556% * 0.4676% (0.49 1.0 10.00 0.02 0.02) = 0.468% T QB SER 48 - HB2 SER 82 5.556% * 0.3830% (0.40 1.0 10.00 0.02 0.02) = 0.383% T QB SER 85 - HB2 SER 82 5.556% * 0.1864% (0.19 1.0 10.00 0.02 0.15) = 0.186% HB THR 94 - HA SER 48 5.556% * 0.0933% (0.97 1.0 1.00 0.02 0.02) = 0.093% HA LYS+ 121 - HA SER 48 5.556% * 0.0887% (0.92 1.0 1.00 0.02 0.02) = 0.089% HA ALA 120 - HA SER 48 5.556% * 0.0856% (0.89 1.0 1.00 0.02 0.02) = 0.086% HA2 GLY 51 - HA SER 48 5.556% * 0.0821% (0.85 1.0 1.00 0.02 0.02) = 0.082% HA2 GLY 16 - HA SER 48 5.556% * 0.0468% (0.49 1.0 1.00 0.02 0.02) = 0.047% HA LYS+ 65 - HA SER 48 5.556% * 0.0381% (0.40 1.0 1.00 0.02 0.02) = 0.038% HB THR 94 - HB2 SER 82 5.556% * 0.0372% (0.39 1.0 1.00 0.02 0.02) = 0.037% HA LYS+ 121 - HB2 SER 82 5.556% * 0.0354% (0.37 1.0 1.00 0.02 0.02) = 0.035% HA ALA 120 - HB2 SER 82 5.556% * 0.0341% (0.36 1.0 1.00 0.02 0.02) = 0.034% HA2 GLY 51 - HB2 SER 82 5.556% * 0.0327% (0.34 1.0 1.00 0.02 0.02) = 0.033% HA2 GLY 16 - HB2 SER 82 5.556% * 0.0186% (0.19 1.0 1.00 0.02 0.02) = 0.019% HA LYS+ 65 - HB2 SER 82 5.556% * 0.0152% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 478 (3.99, 3.94, 63.31 ppm): 24 chemical-shift based assignments, quality = 0.964, support = 1.84, residual support = 10.0: * O T HA SER 48 - QB SER 48 4.167% * 96.1592% (1.00 10.0 10.00 1.90 10.44) = 96.159% kept T HD2 PRO 52 - QB SER 85 4.167% * 1.7816% (0.12 1.0 10.00 0.30 0.02) = 1.782% kept T HB2 SER 82 - QB SER 48 4.167% * 0.6983% (0.73 1.0 10.00 0.02 0.02) = 0.698% T HA SER 48 - QB SER 117 4.167% * 0.2065% (0.21 1.0 10.00 0.02 0.02) = 0.206% T HA SER 48 - QB SER 85 4.167% * 0.1882% (0.20 1.0 10.00 0.02 0.02) = 0.188% T HA ALA 88 - QB SER 85 4.167% * 0.1677% (0.17 1.0 10.00 0.02 0.02) = 0.168% T HB2 SER 82 - QB SER 117 4.167% * 0.1499% (0.16 1.0 10.00 0.02 0.02) = 0.150% T HB2 SER 82 - QB SER 85 4.167% * 0.1366% (0.14 1.0 10.00 0.02 0.15) = 0.137% HA ALA 88 - QB SER 48 4.167% * 0.0857% (0.89 1.0 1.00 0.02 0.02) = 0.086% HA GLN 32 - QB SER 48 4.167% * 0.0822% (0.85 1.0 1.00 0.02 0.02) = 0.082% HD2 PRO 52 - QB SER 48 4.167% * 0.0607% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA VAL 18 - QB SER 48 4.167% * 0.0607% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA GLU- 29 - QB SER 48 4.167% * 0.0560% (0.58 1.0 1.00 0.02 0.02) = 0.056% HA LYS+ 33 - QB SER 48 4.167% * 0.0381% (0.40 1.0 1.00 0.02 0.02) = 0.038% HA ALA 88 - QB SER 117 4.167% * 0.0184% (0.19 1.0 1.00 0.02 0.02) = 0.018% HA GLN 32 - QB SER 117 4.167% * 0.0177% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA GLN 32 - QB SER 85 4.167% * 0.0161% (0.17 1.0 1.00 0.02 0.02) = 0.016% HD2 PRO 52 - QB SER 117 4.167% * 0.0130% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA VAL 18 - QB SER 117 4.167% * 0.0130% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 29 - QB SER 117 4.167% * 0.0120% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA VAL 18 - QB SER 85 4.167% * 0.0119% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 29 - QB SER 85 4.167% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 33 - QB SER 117 4.167% * 0.0082% (0.09 1.0 1.00 0.02 0.02) = 0.008% HA LYS+ 33 - QB SER 85 4.167% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 479 (3.94, 3.94, 63.31 ppm): 3 diagonal assignments: * QB SER 48 - QB SER 48 (1.00) kept QB SER 117 - QB SER 117 (0.11) kept QB SER 85 - QB SER 85 (0.10) kept Peak 480 (4.58, 4.58, 54.06 ppm): 2 diagonal assignments: * HA TRP 49 - HA TRP 49 (1.00) kept HA CYS 50 - HA CYS 50 (0.85) kept Peak 481 (3.69, 4.58, 54.06 ppm): 10 chemical-shift based assignments, quality = 0.952, support = 3.49, residual support = 42.5: * O T HB2 TRP 49 - HA TRP 49 10.000% * 51.5652% (1.00 10.0 10.00 3.83 72.15) = 51.565% kept T HB2 TRP 49 - HA CYS 50 10.000% * 47.4291% (0.92 1.0 10.00 3.20 11.23) = 47.429% kept T HA2 GLY 109 - HA TRP 49 10.000% * 0.3744% (0.73 1.0 10.00 0.02 0.02) = 0.374% T HA2 GLY 109 - HA CYS 50 10.000% * 0.3444% (0.67 1.0 10.00 0.02 0.02) = 0.344% HA ILE 119 - HA TRP 49 10.000% * 0.0509% (0.99 1.0 1.00 0.02 0.02) = 0.051% HA THR 118 - HA TRP 49 10.000% * 0.0509% (0.99 1.0 1.00 0.02 0.86) = 0.051% HA ALA 84 - HA TRP 49 10.000% * 0.0476% (0.92 1.0 1.00 0.02 0.02) = 0.048% HA ILE 119 - HA CYS 50 10.000% * 0.0468% (0.91 1.0 1.00 0.02 0.02) = 0.047% HA THR 118 - HA CYS 50 10.000% * 0.0468% (0.91 1.0 1.00 0.02 0.02) = 0.047% HA ALA 84 - HA CYS 50 10.000% * 0.0438% (0.85 1.0 1.00 0.02 0.02) = 0.044% Peak 482 (3.15, 4.58, 54.06 ppm): 4 chemical-shift based assignments, quality = 0.741, support = 3.55, residual support = 42.9: * O T HB3 TRP 49 - HA TRP 49 25.000% * 52.0401% (0.77 10.0 10.00 3.84 72.15) = 52.040% kept T HB3 TRP 49 - HA CYS 50 25.000% * 47.8659% (0.71 1.0 10.00 3.24 11.23) = 47.866% kept HB3 PHE 59 - HA TRP 49 25.000% * 0.0490% (0.73 1.0 1.00 0.02 0.02) = 0.049% HB3 PHE 59 - HA CYS 50 25.000% * 0.0450% (0.67 1.0 1.00 0.02 0.02) = 0.045% Peak 483 (4.58, 3.69, 29.61 ppm): 6 chemical-shift based assignments, quality = 0.958, support = 3.51, residual support = 42.7: * O T HA TRP 49 - HB2 TRP 49 16.667% * 51.7001% (1.00 10.0 10.00 3.83 72.15) = 51.700% kept T HA CYS 50 - HB2 TRP 49 16.667% * 47.7252% (0.92 1.0 10.00 3.20 11.23) = 47.725% kept T HA1 GLY 109 - HB2 TRP 49 16.667% * 0.4912% (0.95 1.0 10.00 0.02 0.02) = 0.491% HA CYS 21 - HB2 TRP 49 16.667% * 0.0477% (0.92 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 102 - HB2 TRP 49 16.667% * 0.0276% (0.53 1.0 1.00 0.02 0.02) = 0.028% HA ALA 47 - HB2 TRP 49 16.667% * 0.0082% (0.16 1.0 1.00 0.02 7.56) = 0.008% Peak 484 (3.69, 3.69, 29.61 ppm): 1 diagonal assignment: * HB2 TRP 49 - HB2 TRP 49 (1.00) kept Peak 485 (3.15, 3.69, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 3.0, residual support = 72.1: * O T HB3 TRP 49 - HB2 TRP 49 50.000% * 99.9060% (0.77 10.0 10.00 3.00 72.15) = 99.906% kept HB3 PHE 59 - HB2 TRP 49 50.000% * 0.0940% (0.73 1.0 1.00 0.02 0.02) = 0.094% Peak 486 (4.58, 3.15, 29.61 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 3.55, residual support = 42.9: * O T HA TRP 49 - HB3 TRP 49 16.667% * 51.9297% (0.77 10.0 10.00 3.84 72.15) = 51.930% kept T HA CYS 50 - HB3 TRP 49 16.667% * 47.9371% (0.71 1.0 10.00 3.24 11.23) = 47.937% kept HA1 GLY 109 - HB3 TRP 49 16.667% * 0.0493% (0.73 1.0 1.00 0.02 0.02) = 0.049% HA CYS 21 - HB3 TRP 49 16.667% * 0.0479% (0.71 1.0 1.00 0.02 0.02) = 0.048% HA LYS+ 102 - HB3 TRP 49 16.667% * 0.0277% (0.41 1.0 1.00 0.02 0.02) = 0.028% HA ALA 47 - HB3 TRP 49 16.667% * 0.0082% (0.12 1.0 1.00 0.02 7.56) = 0.008% Peak 487 (3.69, 3.15, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.77, support = 2.95, residual support = 70.9: * O T HB2 TRP 49 - HB3 TRP 49 20.000% * 98.1948% (0.77 10.0 10.00 3.00 72.15) = 98.195% kept HA THR 118 - HB3 TRP 49 20.000% * 1.5463% (0.76 1.0 1.00 0.32 0.86) = 1.546% kept HA ILE 119 - HB3 TRP 49 20.000% * 0.0969% (0.76 1.0 1.00 0.02 0.02) = 0.097% HA ALA 84 - HB3 TRP 49 20.000% * 0.0906% (0.71 1.0 1.00 0.02 0.02) = 0.091% HA2 GLY 109 - HB3 TRP 49 20.000% * 0.0713% (0.56 1.0 1.00 0.02 0.02) = 0.071% Peak 488 (3.15, 3.15, 29.61 ppm): 1 diagonal assignment: * HB3 TRP 49 - HB3 TRP 49 (0.60) kept Peak 489 (4.58, 4.58, 54.04 ppm): 2 diagonal assignments: * HA CYS 50 - HA CYS 50 (1.00) kept HA TRP 49 - HA TRP 49 (0.85) kept Peak 490 (2.80, 4.58, 54.04 ppm): 10 chemical-shift based assignments, quality = 0.96, support = 2.16, residual support = 8.56: * O T QB CYS 50 - HA CYS 50 10.000% * 51.9775% (1.00 10.0 10.00 1.62 6.13) = 51.977% kept T QB CYS 50 - HA TRP 49 10.000% * 47.8082% (0.92 1.0 10.00 2.76 11.23) = 47.808% kept QE LYS+ 74 - HA CYS 50 10.000% * 0.0518% (1.00 1.0 1.00 0.02 0.02) = 0.052% QE LYS+ 74 - HA TRP 49 10.000% * 0.0477% (0.92 1.0 1.00 0.02 0.02) = 0.048% HB3 ASN 69 - HA CYS 50 10.000% * 0.0377% (0.73 1.0 1.00 0.02 0.02) = 0.038% HB3 ASN 69 - HA TRP 49 10.000% * 0.0347% (0.67 1.0 1.00 0.02 0.02) = 0.035% HB2 PHE 72 - HA CYS 50 10.000% * 0.0110% (0.21 1.0 1.00 0.02 0.02) = 0.011% HB3 ASP- 78 - HA CYS 50 10.000% * 0.0110% (0.21 1.0 1.00 0.02 0.02) = 0.011% HB2 PHE 72 - HA TRP 49 10.000% * 0.0102% (0.20 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 78 - HA TRP 49 10.000% * 0.0102% (0.20 1.0 1.00 0.02 0.02) = 0.010% Peak 491 (4.58, 2.80, 44.93 ppm): 7 chemical-shift based assignments, quality = 0.95, support = 2.14, residual support = 8.38: * O T HA CYS 50 - QB CYS 50 14.286% * 50.5693% (1.00 10.0 10.00 1.62 6.13) = 50.569% kept T HA TRP 49 - QB CYS 50 14.286% * 46.6814% (0.92 1.0 10.00 2.76 11.23) = 46.681% kept HA ALA 47 - QB CYS 50 14.286% * 1.3806% (0.31 1.0 1.00 1.73 2.90) = 1.381% kept HA CYS 21 - QB CYS 50 14.286% * 1.2916% (0.73 1.0 1.00 0.70 0.02) = 1.292% kept HA1 GLY 109 - QB CYS 50 14.286% * 0.0504% (1.00 1.0 1.00 0.02 0.02) = 0.050% HA LYS+ 102 - QB CYS 50 14.286% * 0.0159% (0.31 1.0 1.00 0.02 0.02) = 0.016% HA VAL 108 - QB CYS 50 14.286% * 0.0107% (0.21 1.0 1.00 0.02 0.02) = 0.011% Peak 492 (2.80, 2.80, 44.93 ppm): 1 diagonal assignment: * QB CYS 50 - QB CYS 50 (1.00) kept Peak 493 (4.51, 3.98, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 6.92, residual support = 198.5: * O T HA PRO 52 - HD2 PRO 52 25.000% * 99.8887% (1.00 10.0 10.00 6.93 198.71) = 99.889% kept HA LYS+ 111 - HD2 PRO 52 25.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA TRP 27 - HD2 PRO 52 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA ALA 91 - HD2 PRO 52 25.000% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 494 (2.63, 3.98, 51.93 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 6.36, residual support = 194.5: * O T HB2 PRO 52 - HD2 PRO 52 33.333% * 97.8851% (1.00 10.0 10.00 6.48 198.71) = 97.885% kept HB2 ASP- 62 - HD2 PRO 52 33.333% * 1.8762% (0.44 1.0 1.00 0.87 1.88) = 1.876% kept T HG2 MET 96 - HD2 PRO 52 33.333% * 0.2387% (0.24 1.0 10.00 0.02 0.02) = 0.239% Peak 495 (1.84, 3.98, 51.93 ppm): 10 chemical-shift based assignments, quality = 0.987, support = 6.23, residual support = 196.1: * O T HB3 PRO 52 - HD2 PRO 52 10.000% * 98.6964% (1.00 10.0 10.00 6.31 198.71) = 98.696% kept T HG LEU 123 - HD2 PRO 52 10.000% * 0.9870% (1.00 1.0 10.00 0.02 0.02) = 0.987% HG12 ILE 103 - HD2 PRO 52 10.000% * 0.0844% (0.85 1.0 1.00 0.02 0.02) = 0.084% HB VAL 41 - HD2 PRO 52 10.000% * 0.0670% (0.68 1.0 1.00 0.02 0.02) = 0.067% QB LYS+ 66 - HD2 PRO 52 10.000% * 0.0435% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 68 - HD2 PRO 52 10.000% * 0.0311% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HD2 PRO 52 10.000% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG2 ARG+ 54 - HD2 PRO 52 10.000% * 0.0241% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB3 ASP- 105 - HD2 PRO 52 10.000% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 93 - HD2 PRO 52 10.000% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 496 (2.32, 3.98, 51.93 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 5.56, residual support = 194.1: * O T HG2 PRO 52 - HD2 PRO 52 16.667% * 97.7013% (1.00 10.0 10.00 5.67 198.71) = 97.701% kept HB2 GLU- 79 - HD2 PRO 52 16.667% * 2.0425% (0.73 1.0 1.00 0.58 0.02) = 2.043% kept HG3 GLU- 25 - HD2 PRO 52 16.667% * 0.0902% (0.92 1.0 1.00 0.02 0.02) = 0.090% QG GLU- 114 - HD2 PRO 52 16.667% * 0.0616% (0.63 1.0 1.00 0.02 0.02) = 0.062% HG2 MET 92 - HD2 PRO 52 16.667% * 0.0522% (0.53 1.0 1.00 0.02 0.02) = 0.052% HG3 GLU- 36 - HD2 PRO 52 16.667% * 0.0522% (0.53 1.0 1.00 0.02 0.02) = 0.052% Peak 497 (2.08, 3.98, 51.93 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 6.24, residual support = 196.3: * O T HG3 PRO 52 - HD2 PRO 52 16.667% * 98.7765% (1.00 10.0 10.00 6.31 198.71) = 98.776% kept T HG2 PRO 58 - HD2 PRO 52 16.667% * 0.9878% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HD2 PRO 52 16.667% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HD2 PRO 52 16.667% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HD2 PRO 52 16.667% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HD2 PRO 52 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 498 (3.98, 3.98, 51.93 ppm): 1 diagonal assignment: * HD2 PRO 52 - HD2 PRO 52 (1.00) kept Peak 499 (4.51, 4.51, 65.44 ppm): 1 diagonal assignment: * HA PRO 52 - HA PRO 52 (1.00) kept Peak 500 (2.63, 4.51, 65.44 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 5.22, residual support = 198.1: * O T HB2 PRO 52 - HA PRO 52 33.333% * 99.7129% (1.00 10.0 10.00 5.23 198.71) = 99.713% kept T HG2 MET 96 - HA PRO 52 33.333% * 0.2432% (0.24 1.0 10.00 0.02 0.02) = 0.243% HB2 ASP- 62 - HA PRO 52 33.333% * 0.0440% (0.44 1.0 1.00 0.02 1.88) = 0.044% Peak 501 (1.84, 4.51, 65.44 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 5.95, residual support = 197.9: * O T HB3 PRO 52 - HA PRO 52 10.000% * 99.5810% (1.00 10.0 10.00 5.98 198.71) = 99.581% kept HG LEU 123 - HA PRO 52 10.000% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HA PRO 52 10.000% * 0.0851% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB VAL 41 - HA PRO 52 10.000% * 0.0676% (0.68 1.0 1.00 0.02 0.02) = 0.068% QB LYS+ 66 - HA PRO 52 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 68 - HA PRO 52 10.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HA PRO 52 10.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 54 - HA PRO 52 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB3 ASP- 105 - HA PRO 52 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 93 - HA PRO 52 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 502 (2.32, 4.51, 65.44 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 5.24, residual support = 196.0: * O T HG2 PRO 52 - HA PRO 52 16.667% * 98.6467% (1.00 10.0 10.00 5.31 198.71) = 98.647% kept HB2 GLU- 79 - HA PRO 52 16.667% * 1.0946% (0.73 1.0 1.00 0.31 0.02) = 1.095% kept HG3 GLU- 25 - HA PRO 52 16.667% * 0.0911% (0.92 1.0 1.00 0.02 0.02) = 0.091% QG GLU- 114 - HA PRO 52 16.667% * 0.0622% (0.63 1.0 1.00 0.02 0.02) = 0.062% HG2 MET 92 - HA PRO 52 16.667% * 0.0527% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 36 - HA PRO 52 16.667% * 0.0527% (0.53 1.0 1.00 0.02 0.02) = 0.053% Peak 503 (2.08, 4.51, 65.44 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 5.87, residual support = 196.3: * O T HG3 PRO 52 - HA PRO 52 16.667% * 98.7765% (1.00 10.0 10.00 5.94 198.71) = 98.776% kept T HG2 PRO 58 - HA PRO 52 16.667% * 0.9878% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HA PRO 52 16.667% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HA PRO 52 16.667% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HA PRO 52 16.667% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HA PRO 52 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 504 (3.98, 4.51, 65.44 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 6.9, residual support = 197.9: * O T HD2 PRO 52 - HA PRO 52 10.000% * 99.5916% (1.00 10.0 10.00 6.93 198.71) = 99.592% kept HA GLN 32 - HA PRO 52 10.000% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ALA 88 - HA PRO 52 10.000% * 0.0888% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 48 - HA PRO 52 10.000% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 65 - HA PRO 52 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 85 - HA PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA2 GLY 16 - HA PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 SER 82 - HA PRO 52 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA VAL 18 - HA PRO 52 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 29 - HA PRO 52 10.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 505 (4.51, 2.63, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 5.22, residual support = 198.1: * O T HA PRO 52 - HB2 PRO 52 12.500% * 99.6774% (1.00 10.0 10.00 5.23 198.71) = 99.677% kept T HA PRO 52 - HG2 MET 96 12.500% * 0.1902% (0.19 1.0 10.00 0.02 0.02) = 0.190% HA LYS+ 111 - HB2 PRO 52 12.500% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA TRP 27 - HB2 PRO 52 12.500% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA ALA 91 - HB2 PRO 52 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA LYS+ 111 - HG2 MET 96 12.500% * 0.0102% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA TRP 27 - HG2 MET 96 12.500% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA ALA 91 - HG2 MET 96 12.500% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 506 (2.63, 2.63, 32.81 ppm): 2 diagonal assignments: * HB2 PRO 52 - HB2 PRO 52 (1.00) kept HG2 MET 96 - HG2 MET 96 (0.05) kept Peak 507 (1.84, 2.63, 32.81 ppm): 20 chemical-shift based assignments, quality = 0.993, support = 6.14, residual support = 197.3: * O T HB3 PRO 52 - HB2 PRO 52 5.000% * 99.3128% (1.00 10.0 10.00 6.18 198.71) = 99.313% kept T HB3 PRO 52 - HG2 MET 96 5.000% * 0.1896% (0.19 1.0 10.00 0.02 0.02) = 0.190% HG LEU 123 - HB2 PRO 52 5.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HG12 ILE 103 - HB2 PRO 52 5.000% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB VAL 41 - HB2 PRO 52 5.000% * 0.0674% (0.68 1.0 1.00 0.02 0.02) = 0.067% QB LYS+ 66 - HB2 PRO 52 5.000% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 68 - HB2 PRO 52 5.000% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HB2 PRO 52 5.000% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 54 - HB2 PRO 52 5.000% * 0.0242% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB3 ASP- 105 - HB2 PRO 52 5.000% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG LEU 123 - HG2 MET 96 5.000% * 0.0190% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 93 - HB2 PRO 52 5.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG12 ILE 103 - HG2 MET 96 5.000% * 0.0162% (0.16 1.0 1.00 0.02 0.11) = 0.016% HB VAL 41 - HG2 MET 96 5.000% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% QB LYS+ 66 - HG2 MET 96 5.000% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 68 - HG2 MET 96 5.000% * 0.0060% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB ILE 103 - HG2 MET 96 5.000% * 0.0053% (0.05 1.0 1.00 0.02 0.11) = 0.005% HG2 ARG+ 54 - HG2 MET 96 5.000% * 0.0046% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 ASP- 105 - HG2 MET 96 5.000% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 93 - HG2 MET 96 5.000% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 508 (2.32, 2.63, 32.81 ppm): 12 chemical-shift based assignments, quality = 0.992, support = 5.15, residual support = 195.5: * O T HG2 PRO 52 - HB2 PRO 52 8.333% * 98.3994% (1.00 10.0 10.00 5.23 198.71) = 98.399% kept HB2 GLU- 79 - HB2 PRO 52 8.333% * 1.0919% (0.73 1.0 1.00 0.31 0.02) = 1.092% kept T HG2 PRO 52 - HG2 MET 96 8.333% * 0.1878% (0.19 1.0 10.00 0.02 0.02) = 0.188% HG3 GLU- 25 - HB2 PRO 52 8.333% * 0.0908% (0.92 1.0 1.00 0.02 0.02) = 0.091% QG GLU- 114 - HB2 PRO 52 8.333% * 0.0621% (0.63 1.0 1.00 0.02 0.02) = 0.062% HG2 MET 92 - HB2 PRO 52 8.333% * 0.0526% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 36 - HB2 PRO 52 8.333% * 0.0526% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 25 - HG2 MET 96 8.333% * 0.0173% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB2 GLU- 79 - HG2 MET 96 8.333% * 0.0136% (0.14 1.0 1.00 0.02 0.02) = 0.014% QG GLU- 114 - HG2 MET 96 8.333% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% HG3 GLU- 36 - HG2 MET 96 8.333% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG2 MET 92 - HG2 MET 96 8.333% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 509 (2.08, 2.63, 32.81 ppm): 12 chemical-shift based assignments, quality = 0.994, support = 5.86, residual support = 189.1: * O T HG3 PRO 52 - HB2 PRO 52 8.333% * 95.1442% (1.00 10.0 10.00 6.15 198.71) = 95.144% kept T HG2 PRO 58 - HB2 PRO 52 8.333% * 4.2222% (1.00 1.0 10.00 0.09 0.02) = 4.222% kept T HG2 PRO 58 - HG2 MET 96 8.333% * 0.1816% (0.19 1.0 10.00 0.02 0.02) = 0.182% T HG3 PRO 52 - HG2 MET 96 8.333% * 0.1816% (0.19 1.0 10.00 0.02 0.02) = 0.182% HB2 GLU- 14 - HB2 PRO 52 8.333% * 0.0939% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG2 MET 11 - HB2 PRO 52 8.333% * 0.0924% (0.97 1.0 1.00 0.02 0.02) = 0.092% HB2 PRO 68 - HB2 PRO 52 8.333% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB2 GLU- 14 - HG2 MET 96 8.333% * 0.0179% (0.19 1.0 1.00 0.02 0.02) = 0.018% HG2 MET 11 - HG2 MET 96 8.333% * 0.0176% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 93 - HB2 PRO 52 8.333% * 0.0175% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB2 PRO 68 - HG2 MET 96 8.333% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 PRO 93 - HG2 MET 96 8.333% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 510 (3.98, 2.63, 32.81 ppm): 20 chemical-shift based assignments, quality = 0.993, support = 6.44, residual support = 197.4: * O T HD2 PRO 52 - HB2 PRO 52 5.000% * 99.3253% (1.00 10.0 10.00 6.48 198.71) = 99.325% kept T HD2 PRO 52 - HG2 MET 96 5.000% * 0.1896% (0.19 1.0 10.00 0.02 0.02) = 0.190% HA GLN 32 - HB2 PRO 52 5.000% * 0.0917% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ALA 88 - HB2 PRO 52 5.000% * 0.0885% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 48 - HB2 PRO 52 5.000% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 65 - HB2 PRO 52 5.000% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 16 - HB2 PRO 52 5.000% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB SER 85 - HB2 PRO 52 5.000% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 SER 82 - HB2 PRO 52 5.000% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA GLN 32 - HG2 MET 96 5.000% * 0.0175% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA ALA 88 - HG2 MET 96 5.000% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA VAL 18 - HB2 PRO 52 5.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 29 - HB2 PRO 52 5.000% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA SER 48 - HG2 MET 96 5.000% * 0.0120% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA LYS+ 65 - HG2 MET 96 5.000% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA2 GLY 16 - HG2 MET 96 5.000% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% QB SER 85 - HG2 MET 96 5.000% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB2 SER 82 - HG2 MET 96 5.000% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA VAL 18 - HG2 MET 96 5.000% * 0.0030% (0.03 1.0 1.00 0.02 0.34) = 0.003% HA GLU- 29 - HG2 MET 96 5.000% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 511 (4.51, 1.84, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.97, residual support = 198.5: * O T HA PRO 52 - HB3 PRO 52 25.000% * 99.8887% (1.00 10.0 10.00 5.98 198.71) = 99.889% kept HA LYS+ 111 - HB3 PRO 52 25.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA TRP 27 - HB3 PRO 52 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA ALA 91 - HB3 PRO 52 25.000% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 512 (2.63, 1.84, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 6.17, residual support = 198.1: * O T HB2 PRO 52 - HB3 PRO 52 33.333% * 99.7129% (1.00 10.0 10.00 6.18 198.71) = 99.713% kept T HG2 MET 96 - HB3 PRO 52 33.333% * 0.2432% (0.24 1.0 10.00 0.02 0.02) = 0.243% HB2 ASP- 62 - HB3 PRO 52 33.333% * 0.0440% (0.44 1.0 1.00 0.02 1.88) = 0.044% Peak 513 (1.84, 1.84, 32.81 ppm): 1 diagonal assignment: * HB3 PRO 52 - HB3 PRO 52 (1.00) kept Peak 514 (2.32, 1.84, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 5.25, residual support = 196.0: * O T HG2 PRO 52 - HB3 PRO 52 16.667% * 98.6467% (1.00 10.0 10.00 5.31 198.71) = 98.647% kept HB2 GLU- 79 - HB3 PRO 52 16.667% * 1.0946% (0.73 1.0 1.00 0.31 0.02) = 1.095% kept HG3 GLU- 25 - HB3 PRO 52 16.667% * 0.0911% (0.92 1.0 1.00 0.02 0.02) = 0.091% QG GLU- 114 - HB3 PRO 52 16.667% * 0.0622% (0.63 1.0 1.00 0.02 0.02) = 0.062% HG2 MET 92 - HB3 PRO 52 16.667% * 0.0527% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 36 - HB3 PRO 52 16.667% * 0.0527% (0.53 1.0 1.00 0.02 0.02) = 0.053% Peak 515 (2.08, 1.84, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 5.88, residual support = 196.0: * O T HG3 PRO 52 - HB3 PRO 52 16.667% * 98.6152% (1.00 10.0 10.00 5.96 198.71) = 98.615% kept T HG2 PRO 58 - HB3 PRO 52 16.667% * 0.9862% (1.00 1.0 10.00 0.02 0.02) = 0.986% T HB2 PRO 93 - HB3 PRO 52 16.667% * 0.1815% (0.18 1.0 10.00 0.02 0.02) = 0.181% HB2 GLU- 14 - HB3 PRO 52 16.667% * 0.0974% (0.99 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HB3 PRO 52 16.667% * 0.0958% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HB3 PRO 52 16.667% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 516 (3.98, 1.84, 32.81 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 6.29, residual support = 197.9: * O T HD2 PRO 52 - HB3 PRO 52 10.000% * 99.5916% (1.00 10.0 10.00 6.31 198.71) = 99.592% kept HA GLN 32 - HB3 PRO 52 10.000% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ALA 88 - HB3 PRO 52 10.000% * 0.0888% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 48 - HB3 PRO 52 10.000% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 65 - HB3 PRO 52 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 85 - HB3 PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA2 GLY 16 - HB3 PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 SER 82 - HB3 PRO 52 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA VAL 18 - HB3 PRO 52 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 29 - HB3 PRO 52 10.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 517 (4.51, 2.32, 28.73 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.3, residual support = 198.5: * O T HA PRO 52 - HG2 PRO 52 25.000% * 99.8887% (1.00 10.0 10.00 5.31 198.71) = 99.889% kept HA LYS+ 111 - HG2 PRO 52 25.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA TRP 27 - HG2 PRO 52 25.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA ALA 91 - HG2 PRO 52 25.000% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 518 (2.63, 2.32, 28.73 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 5.22, residual support = 198.1: * O T HB2 PRO 52 - HG2 PRO 52 33.333% * 99.7129% (1.00 10.0 10.00 5.23 198.71) = 99.713% kept T HG2 MET 96 - HG2 PRO 52 33.333% * 0.2432% (0.24 1.0 10.00 0.02 0.02) = 0.243% HB2 ASP- 62 - HG2 PRO 52 33.333% * 0.0440% (0.44 1.0 1.00 0.02 1.88) = 0.044% Peak 519 (1.84, 2.32, 28.73 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 5.29, residual support = 197.9: * O T HB3 PRO 52 - HG2 PRO 52 10.000% * 99.5810% (1.00 10.0 10.00 5.31 198.71) = 99.581% kept HG LEU 123 - HG2 PRO 52 10.000% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HG2 PRO 52 10.000% * 0.0851% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB VAL 41 - HG2 PRO 52 10.000% * 0.0676% (0.68 1.0 1.00 0.02 0.02) = 0.068% QB LYS+ 66 - HG2 PRO 52 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 68 - HG2 PRO 52 10.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HG2 PRO 52 10.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 54 - HG2 PRO 52 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB3 ASP- 105 - HG2 PRO 52 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 93 - HG2 PRO 52 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 520 (2.32, 2.32, 28.73 ppm): 1 diagonal assignment: * HG2 PRO 52 - HG2 PRO 52 (1.00) kept Peak 521 (2.08, 2.32, 28.73 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 5.24, residual support = 196.3: * O T HG3 PRO 52 - HG2 PRO 52 16.667% * 98.7765% (1.00 10.0 10.00 5.30 198.71) = 98.776% kept T HG2 PRO 58 - HG2 PRO 52 16.667% * 0.9878% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HG2 PRO 52 16.667% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HG2 PRO 52 16.667% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HG2 PRO 52 16.667% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HG2 PRO 52 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 522 (3.98, 2.32, 28.73 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 5.65, residual support = 197.9: * O T HD2 PRO 52 - HG2 PRO 52 10.000% * 99.5916% (1.00 10.0 10.00 5.67 198.71) = 99.592% kept HA GLN 32 - HG2 PRO 52 10.000% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ALA 88 - HG2 PRO 52 10.000% * 0.0888% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 48 - HG2 PRO 52 10.000% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA LYS+ 65 - HG2 PRO 52 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB SER 85 - HG2 PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA2 GLY 16 - HG2 PRO 52 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 SER 82 - HG2 PRO 52 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA VAL 18 - HG2 PRO 52 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 29 - HG2 PRO 52 10.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 523 (4.51, 2.08, 28.73 ppm): 8 chemical-shift based assignments, quality = 0.99, support = 5.88, residual support = 196.7: * O T HA PRO 52 - HG3 PRO 52 12.500% * 98.9988% (1.00 10.0 10.00 5.94 198.71) = 98.999% kept T HA PRO 52 - HG2 PRO 58 12.500% * 0.8015% (0.81 1.0 10.00 0.02 0.02) = 0.801% HA LYS+ 111 - HG3 PRO 52 12.500% * 0.0529% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA LYS+ 111 - HG2 PRO 58 12.500% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA TRP 27 - HG3 PRO 52 12.500% * 0.0393% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA TRP 27 - HG2 PRO 58 12.500% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA ALA 91 - HG3 PRO 52 12.500% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA ALA 91 - HG2 PRO 58 12.500% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 524 (2.63, 2.08, 28.73 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 5.91, residual support = 190.9: * O T HB2 PRO 52 - HG3 PRO 52 16.667% * 96.0489% (1.00 10.0 10.00 6.15 198.71) = 96.049% kept T HB2 PRO 52 - HG2 PRO 58 16.667% * 3.4506% (0.81 1.0 10.00 0.09 0.02) = 3.451% kept T HG2 MET 96 - HG3 PRO 52 16.667% * 0.2342% (0.24 1.0 10.00 0.02 0.02) = 0.234% T HG2 MET 96 - HG2 PRO 58 16.667% * 0.1896% (0.20 1.0 10.00 0.02 0.02) = 0.190% HB2 ASP- 62 - HG3 PRO 52 16.667% * 0.0423% (0.44 1.0 1.00 0.02 1.88) = 0.042% HB2 ASP- 62 - HG2 PRO 58 16.667% * 0.0343% (0.36 1.0 1.00 0.02 0.02) = 0.034% Peak 525 (1.84, 2.08, 28.73 ppm): 20 chemical-shift based assignments, quality = 0.982, support = 5.86, residual support = 195.1: * O T HB3 PRO 52 - HG3 PRO 52 5.000% * 98.1636% (1.00 10.0 10.00 5.96 198.71) = 98.164% kept T HB3 PRO 52 - HG2 PRO 58 5.000% * 0.7947% (0.81 1.0 10.00 0.02 0.02) = 0.795% T HG2 PRO 93 - HG3 PRO 52 5.000% * 0.1806% (0.18 1.0 10.00 0.02 0.02) = 0.181% T HG2 PRO 93 - HG2 PRO 58 5.000% * 0.1462% (0.15 1.0 10.00 0.02 0.02) = 0.146% HG LEU 123 - HG3 PRO 52 5.000% * 0.0982% (1.00 1.0 1.00 0.02 0.02) = 0.098% HG12 ILE 103 - HG3 PRO 52 5.000% * 0.0839% (0.85 1.0 1.00 0.02 0.02) = 0.084% HG LEU 123 - HG2 PRO 58 5.000% * 0.0795% (0.81 1.0 1.00 0.02 0.02) = 0.079% HG12 ILE 103 - HG2 PRO 58 5.000% * 0.0679% (0.69 1.0 1.00 0.02 0.02) = 0.068% HB VAL 41 - HG3 PRO 52 5.000% * 0.0666% (0.68 1.0 1.00 0.02 0.02) = 0.067% HB VAL 41 - HG2 PRO 58 5.000% * 0.0540% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB LYS+ 66 - HG3 PRO 52 5.000% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% QB LYS+ 66 - HG2 PRO 58 5.000% * 0.0350% (0.36 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 68 - HG3 PRO 52 5.000% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HG3 PRO 52 5.000% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG3 PRO 68 - HG2 PRO 58 5.000% * 0.0250% (0.26 1.0 1.00 0.02 0.02) = 0.025% HG2 ARG+ 54 - HG3 PRO 52 5.000% * 0.0239% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB ILE 103 - HG2 PRO 58 5.000% * 0.0221% (0.23 1.0 1.00 0.02 0.02) = 0.022% HB3 ASP- 105 - HG3 PRO 52 5.000% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 ARG+ 54 - HG2 PRO 58 5.000% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB3 ASP- 105 - HG2 PRO 58 5.000% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% Peak 526 (2.32, 2.08, 28.73 ppm): 12 chemical-shift based assignments, quality = 0.978, support = 5.18, residual support = 194.3: * O T HG2 PRO 52 - HG3 PRO 52 8.333% * 97.7658% (1.00 10.0 10.00 5.30 198.71) = 97.766% kept T HG2 PRO 52 - HG2 PRO 58 8.333% * 0.7915% (0.81 1.0 10.00 0.02 0.02) = 0.791% T HG3 GLU- 36 - HG3 PRO 52 8.333% * 0.5222% (0.53 1.0 10.00 0.02 0.02) = 0.522% T HG3 GLU- 36 - HG2 PRO 58 8.333% * 0.4227% (0.43 1.0 10.00 0.02 0.02) = 0.423% HG3 GLU- 25 - HG3 PRO 52 8.333% * 0.0902% (0.92 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 25 - HG2 PRO 58 8.333% * 0.0731% (0.75 1.0 1.00 0.02 0.02) = 0.073% HB2 GLU- 79 - HG3 PRO 52 8.333% * 0.0710% (0.73 1.0 1.00 0.02 0.02) = 0.071% QG GLU- 114 - HG3 PRO 52 8.333% * 0.0617% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB2 GLU- 79 - HG2 PRO 58 8.333% * 0.0575% (0.59 1.0 1.00 0.02 0.02) = 0.057% HG2 MET 92 - HG3 PRO 52 8.333% * 0.0522% (0.53 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 114 - HG2 PRO 58 8.333% * 0.0499% (0.51 1.0 1.00 0.02 0.02) = 0.050% HG2 MET 92 - HG2 PRO 58 8.333% * 0.0423% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 527 (2.08, 2.08, 28.73 ppm): 2 diagonal assignments: * HG3 PRO 52 - HG3 PRO 52 (1.00) kept HG2 PRO 58 - HG2 PRO 58 (0.81) kept Peak 528 (3.98, 2.08, 28.73 ppm): 20 chemical-shift based assignments, quality = 0.985, support = 6.22, residual support = 195.7: * O T HD2 PRO 52 - HG3 PRO 52 5.000% * 98.4720% (1.00 10.0 10.00 6.31 198.71) = 98.472% kept T HD2 PRO 52 - HG2 PRO 58 5.000% * 0.7972% (0.81 1.0 10.00 0.02 0.02) = 0.797% HA GLN 32 - HG3 PRO 52 5.000% * 0.0909% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA ALA 88 - HG3 PRO 52 5.000% * 0.0878% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA GLN 32 - HG2 PRO 58 5.000% * 0.0736% (0.75 1.0 1.00 0.02 0.91) = 0.074% HA ALA 88 - HG2 PRO 58 5.000% * 0.0710% (0.72 1.0 1.00 0.02 0.02) = 0.071% HA SER 48 - HG3 PRO 52 5.000% * 0.0621% (0.63 1.0 1.00 0.02 0.02) = 0.062% HA SER 48 - HG2 PRO 58 5.000% * 0.0503% (0.51 1.0 1.00 0.02 0.02) = 0.050% HA LYS+ 65 - HG3 PRO 52 5.000% * 0.0434% (0.44 1.0 1.00 0.02 0.02) = 0.043% HA LYS+ 65 - HG2 PRO 58 5.000% * 0.0351% (0.36 1.0 1.00 0.02 0.02) = 0.035% QB SER 85 - HG3 PRO 52 5.000% * 0.0349% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA2 GLY 16 - HG3 PRO 52 5.000% * 0.0349% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB SER 85 - HG2 PRO 58 5.000% * 0.0283% (0.29 1.0 1.00 0.02 0.02) = 0.028% HA2 GLY 16 - HG2 PRO 58 5.000% * 0.0283% (0.29 1.0 1.00 0.02 0.02) = 0.028% HB2 SER 82 - HG3 PRO 52 5.000% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB2 SER 82 - HG2 PRO 58 5.000% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA VAL 18 - HG3 PRO 52 5.000% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA GLU- 29 - HG3 PRO 52 5.000% * 0.0133% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA VAL 18 - HG2 PRO 58 5.000% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 29 - HG2 PRO 58 5.000% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 529 (4.17, 4.17, 63.73 ppm): 1 diagonal assignment: * HA CYS 53 - HA CYS 53 (1.00) kept Peak 530 (3.83, 4.17, 63.73 ppm): 6 chemical-shift based assignments, quality = 0.955, support = 2.95, residual support = 37.5: * O T HB2 CYS 53 - HA CYS 53 16.667% * 90.1278% (1.00 10.0 10.00 2.96 37.91) = 90.128% kept HD3 PRO 52 - HA CYS 53 16.667% * 8.4826% (0.58 1.0 1.00 3.23 39.58) = 8.483% kept HA VAL 83 - HA CYS 53 16.667% * 1.2676% (0.31 1.0 1.00 0.89 1.63) = 1.268% kept HA GLN 30 - HA CYS 53 16.667% * 0.0612% (0.68 1.0 1.00 0.02 0.02) = 0.061% HD2 PRO 58 - HA CYS 53 16.667% * 0.0357% (0.40 1.0 1.00 0.02 0.02) = 0.036% HA GLU- 100 - HA CYS 53 16.667% * 0.0251% (0.28 1.0 1.00 0.02 0.02) = 0.025% Peak 531 (3.34, 4.17, 63.73 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 3.34, residual support = 35.1: * O T HB3 CYS 53 - HA CYS 53 16.667% * 81.7053% (1.00 10.0 10.00 3.28 37.91) = 81.705% kept HD2 ARG+ 54 - HA CYS 53 16.667% * 16.0868% (0.99 1.0 1.00 3.99 25.63) = 16.087% kept QB PHE 55 - HA CYS 53 16.667% * 2.0199% (0.81 1.0 1.00 0.61 0.02) = 2.020% kept HD3 PRO 93 - HA CYS 53 16.667% * 0.0754% (0.92 1.0 1.00 0.02 0.02) = 0.075% HD3 PRO 68 - HA CYS 53 16.667% * 0.0728% (0.89 1.0 1.00 0.02 0.02) = 0.073% HB2 PHE 59 - HA CYS 53 16.667% * 0.0398% (0.49 1.0 1.00 0.02 0.02) = 0.040% Peak 532 (4.17, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.95, residual support = 37.8: * O T HA CYS 53 - HB2 CYS 53 25.000% * 99.8211% (1.00 10.0 10.00 2.96 37.91) = 99.821% kept HA ILE 19 - HB2 CYS 53 25.000% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HA GLU- 25 - HB2 CYS 53 25.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA THR 26 - HB2 CYS 53 25.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 533 (3.83, 3.83, 34.62 ppm): 1 diagonal assignment: * HB2 CYS 53 - HB2 CYS 53 (1.00) kept Peak 534 (3.34, 3.83, 34.62 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 35.2: * O T HB3 CYS 53 - HB2 CYS 53 16.667% * 81.4893% (1.00 10.0 10.00 3.35 37.91) = 81.489% kept HD2 ARG+ 54 - HB2 CYS 53 16.667% * 16.6380% (0.99 1.0 1.00 4.14 25.63) = 16.638% kept QB PHE 55 - HB2 CYS 53 16.667% * 1.4080% (0.81 1.0 1.00 0.42 0.02) = 1.408% kept HD3 PRO 68 - HB2 CYS 53 16.667% * 0.3498% (0.89 1.0 1.00 0.10 0.02) = 0.350% HD3 PRO 93 - HB2 CYS 53 16.667% * 0.0752% (0.92 1.0 1.00 0.02 0.02) = 0.075% HB2 PHE 59 - HB2 CYS 53 16.667% * 0.0397% (0.49 1.0 1.00 0.02 0.02) = 0.040% Peak 535 (4.17, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.28, residual support = 37.8: * O T HA CYS 53 - HB3 CYS 53 25.000% * 99.8211% (1.00 10.0 10.00 3.28 37.91) = 99.821% kept HA ILE 19 - HB3 CYS 53 25.000% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HA GLU- 25 - HB3 CYS 53 25.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA THR 26 - HB3 CYS 53 25.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 536 (3.83, 3.34, 34.62 ppm): 6 chemical-shift based assignments, quality = 0.956, support = 3.4, residual support = 38.0: * O T HB2 CYS 53 - HB3 CYS 53 16.667% * 89.6978% (1.00 10.0 10.00 3.35 37.91) = 89.698% kept HD3 PRO 52 - HB3 CYS 53 16.667% * 10.1525% (0.58 1.0 1.00 3.89 39.58) = 10.153% kept HA GLN 30 - HB3 CYS 53 16.667% * 0.0609% (0.68 1.0 1.00 0.02 0.02) = 0.061% HD2 PRO 58 - HB3 CYS 53 16.667% * 0.0356% (0.40 1.0 1.00 0.02 0.02) = 0.036% HA VAL 83 - HB3 CYS 53 16.667% * 0.0283% (0.31 1.0 1.00 0.02 1.63) = 0.028% HA GLU- 100 - HB3 CYS 53 16.667% * 0.0249% (0.28 1.0 1.00 0.02 0.02) = 0.025% Peak 537 (3.34, 3.34, 34.62 ppm): 1 diagonal assignment: * HB3 CYS 53 - HB3 CYS 53 (1.00) kept Peak 538 (4.11, 4.11, 59.18 ppm): 2 diagonal assignments: * HA ARG+ 54 - HA ARG+ 54 (1.00) kept HA LEU 115 - HA LEU 115 (0.12) kept Peak 539 (2.05, 4.11, 59.18 ppm): 14 chemical-shift based assignments, quality = 0.992, support = 4.68, residual support = 132.1: * O T HB2 ARG+ 54 - HA ARG+ 54 7.143% * 99.1863% (1.00 10.0 10.00 4.72 133.22) = 99.186% kept T HB2 ARG+ 54 - HA LEU 115 7.143% * 0.2449% (0.25 1.0 10.00 0.02 0.95) = 0.245% HB VAL 108 - HA ARG+ 54 7.143% * 0.0979% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB ILE 119 - HA ARG+ 54 7.143% * 0.0808% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 PRO 93 - HA ARG+ 54 7.143% * 0.0808% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 GLN 30 - HA ARG+ 54 7.143% * 0.0808% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB3 GLU- 100 - HA ARG+ 54 7.143% * 0.0720% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLN 30 - HA ARG+ 54 7.143% * 0.0437% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB VAL 108 - HA LEU 115 7.143% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 GLN 30 - HA LEU 115 7.143% * 0.0200% (0.20 1.0 1.00 0.02 0.37) = 0.020% HB2 PRO 93 - HA LEU 115 7.143% * 0.0200% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB ILE 119 - HA LEU 115 7.143% * 0.0200% (0.20 1.0 1.00 0.02 1.26) = 0.020% HB3 GLU- 100 - HA LEU 115 7.143% * 0.0178% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG3 GLN 30 - HA LEU 115 7.143% * 0.0108% (0.11 1.0 1.00 0.02 0.37) = 0.011% Peak 540 (1.86, 4.11, 59.18 ppm): 24 chemical-shift based assignments, quality = 0.981, support = 4.33, residual support = 122.4: * O T HG2 ARG+ 54 - HA ARG+ 54 4.167% * 91.8449% (1.00 10.0 10.00 4.71 133.22) = 91.845% kept T HG3 PRO 68 - HA ARG+ 54 4.167% * 6.3041% (0.99 1.0 10.00 0.14 0.02) = 6.304% kept T QB LYS+ 81 - HA ARG+ 54 4.167% * 0.7484% (0.81 1.0 10.00 0.02 0.02) = 0.748% T HG2 ARG+ 54 - HA LEU 115 4.167% * 0.2268% (0.25 1.0 10.00 0.02 0.95) = 0.227% T HG3 PRO 68 - HA LEU 115 4.167% * 0.2239% (0.24 1.0 10.00 0.02 0.02) = 0.224% HB3 ASP- 105 - HA ARG+ 54 4.167% * 0.0916% (1.00 1.0 1.00 0.02 0.02) = 0.092% HB ILE 103 - HA ARG+ 54 4.167% * 0.0916% (1.00 1.0 1.00 0.02 0.02) = 0.092% QB LYS+ 33 - HA ARG+ 54 4.167% * 0.0873% (0.95 1.0 1.00 0.02 0.33) = 0.087% HB3 GLN 90 - HA ARG+ 54 4.167% * 0.0819% (0.89 1.0 1.00 0.02 0.02) = 0.082% QB LYS+ 106 - HA ARG+ 54 4.167% * 0.0709% (0.77 1.0 1.00 0.02 0.02) = 0.071% HB ILE 56 - HA ARG+ 54 4.167% * 0.0255% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 ASP- 105 - HA LEU 115 4.167% * 0.0226% (0.25 1.0 1.00 0.02 0.02) = 0.023% HB ILE 103 - HA LEU 115 4.167% * 0.0226% (0.25 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 52 - HA ARG+ 54 4.167% * 0.0224% (0.24 1.0 1.00 0.02 0.64) = 0.022% HG LEU 123 - HA ARG+ 54 4.167% * 0.0224% (0.24 1.0 1.00 0.02 0.25) = 0.022% QB LYS+ 33 - HA LEU 115 4.167% * 0.0215% (0.23 1.0 1.00 0.02 0.02) = 0.022% HB3 GLN 90 - HA LEU 115 4.167% * 0.0202% (0.22 1.0 1.00 0.02 0.02) = 0.020% QB LYS+ 81 - HA LEU 115 4.167% * 0.0185% (0.20 1.0 1.00 0.02 0.02) = 0.018% QB LYS+ 106 - HA LEU 115 4.167% * 0.0175% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 38 - HA ARG+ 54 4.167% * 0.0145% (0.16 1.0 1.00 0.02 0.39) = 0.015% HB ILE 56 - HA LEU 115 4.167% * 0.0063% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG LEU 123 - HA LEU 115 4.167% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 52 - HA LEU 115 4.167% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 38 - HA LEU 115 4.167% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 541 (3.34, 4.11, 59.18 ppm): 12 chemical-shift based assignments, quality = 0.963, support = 4.35, residual support = 104.3: * T HD2 ARG+ 54 - HA ARG+ 54 8.333% * 75.2585% (1.00 10.00 4.60 133.22) = 75.258% kept HB3 CYS 53 - HA ARG+ 54 8.333% * 13.7666% (0.99 1.00 3.71 25.63) = 13.767% kept QB PHE 55 - HA ARG+ 54 8.333% * 10.1983% (0.73 1.00 3.73 5.31) = 10.198% kept HD3 PRO 68 - HA ARG+ 54 8.333% * 0.4263% (0.81 1.00 0.14 0.02) = 0.426% T HD2 ARG+ 54 - HA LEU 115 8.333% * 0.1858% (0.25 10.00 0.02 0.95) = 0.186% HD3 PRO 93 - HA ARG+ 54 8.333% * 0.0643% (0.85 1.00 0.02 0.02) = 0.064% HB2 PHE 59 - HA ARG+ 54 8.333% * 0.0298% (0.40 1.00 0.02 0.02) = 0.030% HB3 CYS 53 - HA LEU 115 8.333% * 0.0183% (0.24 1.00 0.02 0.02) = 0.018% HD3 PRO 93 - HA LEU 115 8.333% * 0.0159% (0.21 1.00 0.02 0.02) = 0.016% HD3 PRO 68 - HA LEU 115 8.333% * 0.0151% (0.20 1.00 0.02 0.02) = 0.015% QB PHE 55 - HA LEU 115 8.333% * 0.0135% (0.18 1.00 0.02 2.08) = 0.013% HB2 PHE 59 - HA LEU 115 8.333% * 0.0074% (0.10 1.00 0.02 14.99) = 0.007% Peak 542 (4.11, 2.05, 30.44 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 4.63, residual support = 130.4: * O T HA ARG+ 54 - HB2 ARG+ 54 12.500% * 97.8668% (1.00 10.0 10.00 4.72 133.22) = 97.867% kept HA ASN 28 - HB2 ARG+ 54 12.500% * 1.4243% (0.53 1.0 1.00 0.54 0.02) = 1.424% kept T HA LEU 115 - HB2 ARG+ 54 12.500% * 0.4764% (0.49 1.0 10.00 0.02 0.95) = 0.476% HA ALA 124 - HB2 ARG+ 54 12.500% * 0.0951% (0.97 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 81 - HB2 ARG+ 54 12.500% * 0.0523% (0.53 1.0 1.00 0.02 0.02) = 0.052% HA GLU- 36 - HB2 ARG+ 54 12.500% * 0.0388% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA ALA 34 - HB2 ARG+ 54 12.500% * 0.0308% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 101 - HB2 ARG+ 54 12.500% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 543 (2.05, 2.05, 30.44 ppm): 1 diagonal assignment: * HB2 ARG+ 54 - HB2 ARG+ 54 (1.00) kept Peak 545 (3.34, 2.05, 30.44 ppm): 6 chemical-shift based assignments, quality = 0.963, support = 4.43, residual support = 107.5: * O T HD2 ARG+ 54 - HB2 ARG+ 54 16.667% * 77.8663% (1.00 10.0 10.00 4.85 133.22) = 77.866% kept HB3 CYS 53 - HB2 ARG+ 54 16.667% * 12.8622% (0.99 1.0 1.00 3.35 25.63) = 12.862% kept QB PHE 55 - HB2 ARG+ 54 16.667% * 7.9405% (0.73 1.0 1.00 2.81 5.31) = 7.940% kept T HD3 PRO 93 - HB2 ARG+ 54 16.667% * 0.6657% (0.85 1.0 10.00 0.02 0.02) = 0.666% T HD3 PRO 68 - HB2 ARG+ 54 16.667% * 0.6345% (0.81 1.0 10.00 0.02 0.02) = 0.634% HB2 PHE 59 - HB2 ARG+ 54 16.667% * 0.0309% (0.40 1.0 1.00 0.02 0.02) = 0.031% Peak 550 (4.11, 3.34, 43.59 ppm): 8 chemical-shift based assignments, quality = 0.985, support = 4.53, residual support = 131.2: * T HA ARG+ 54 - HD2 ARG+ 54 12.500% * 98.5151% (1.00 10.00 4.60 133.22) = 98.515% kept HA ASN 28 - HD2 ARG+ 54 12.500% * 0.7713% (0.53 1.00 0.29 0.02) = 0.771% T HA LEU 115 - HD2 ARG+ 54 12.500% * 0.4795% (0.49 10.00 0.02 0.95) = 0.480% HA ALA 124 - HD2 ARG+ 54 12.500% * 0.0957% (0.97 1.00 0.02 0.02) = 0.096% HA LYS+ 81 - HD2 ARG+ 54 12.500% * 0.0526% (0.53 1.00 0.02 0.02) = 0.053% HA GLU- 36 - HD2 ARG+ 54 12.500% * 0.0391% (0.40 1.00 0.02 0.02) = 0.039% HA ALA 34 - HD2 ARG+ 54 12.500% * 0.0310% (0.31 1.00 0.02 0.02) = 0.031% HA1 GLY 101 - HD2 ARG+ 54 12.500% * 0.0156% (0.16 1.00 0.02 0.02) = 0.016% Peak 551 (2.05, 3.34, 43.59 ppm): 7 chemical-shift based assignments, quality = 0.984, support = 4.77, residual support = 131.1: * O T HB2 ARG+ 54 - HD2 ARG+ 54 14.286% * 98.4350% (1.00 10.0 10.00 4.85 133.22) = 98.435% kept T HB2 PRO 93 - HD2 ARG+ 54 14.286% * 0.8021% (0.81 1.0 10.00 0.02 0.02) = 0.802% T HG3 GLN 30 - HD2 ARG+ 54 14.286% * 0.4339% (0.44 1.0 10.00 0.02 0.02) = 0.434% HB VAL 108 - HD2 ARG+ 54 14.286% * 0.0972% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB ILE 119 - HD2 ARG+ 54 14.286% * 0.0802% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB2 GLN 30 - HD2 ARG+ 54 14.286% * 0.0802% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB3 GLU- 100 - HD2 ARG+ 54 14.286% * 0.0715% (0.73 1.0 1.00 0.02 0.02) = 0.071% Peak 552 (1.86, 3.34, 43.59 ppm): 12 chemical-shift based assignments, quality = 0.984, support = 4.68, residual support = 131.1: * O T HG2 ARG+ 54 - HD2 ARG+ 54 8.333% * 98.4041% (1.00 10.0 10.00 4.76 133.22) = 98.404% kept T HG3 PRO 68 - HD2 ARG+ 54 8.333% * 0.9715% (0.99 1.0 10.00 0.02 0.02) = 0.972% HB3 ASP- 105 - HD2 ARG+ 54 8.333% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB ILE 103 - HD2 ARG+ 54 8.333% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% QB LYS+ 33 - HD2 ARG+ 54 8.333% * 0.0935% (0.95 1.0 1.00 0.02 0.33) = 0.093% HB3 GLN 90 - HD2 ARG+ 54 8.333% * 0.0877% (0.89 1.0 1.00 0.02 0.02) = 0.088% QB LYS+ 81 - HD2 ARG+ 54 8.333% * 0.0802% (0.81 1.0 1.00 0.02 0.02) = 0.080% QB LYS+ 106 - HD2 ARG+ 54 8.333% * 0.0759% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB ILE 56 - HD2 ARG+ 54 8.333% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG LEU 123 - HD2 ARG+ 54 8.333% * 0.0240% (0.24 1.0 1.00 0.02 0.25) = 0.024% HB3 PRO 52 - HD2 ARG+ 54 8.333% * 0.0240% (0.24 1.0 1.00 0.02 0.64) = 0.024% HB3 LYS+ 38 - HD2 ARG+ 54 8.333% * 0.0156% (0.16 1.0 1.00 0.02 0.39) = 0.016% Peak 553 (3.34, 3.34, 43.59 ppm): 1 diagonal assignment: * HD2 ARG+ 54 - HD2 ARG+ 54 (1.00) kept Peak 554 (4.45, 4.45, 60.13 ppm): 2 diagonal assignments: * HA PHE 55 - HA PHE 55 (1.00) kept HA VAL 42 - HA VAL 42 (0.08) kept Peak 555 (3.33, 4.45, 60.13 ppm): 12 chemical-shift based assignments, quality = 0.959, support = 3.42, residual support = 14.6: * O T QB PHE 55 - HA PHE 55 8.333% * 86.6336% (1.00 10.0 10.00 3.49 16.20) = 86.634% kept HD2 ARG+ 54 - HA PHE 55 8.333% * 11.1536% (0.73 1.0 1.00 3.55 5.31) = 11.154% kept HB3 CYS 53 - HA PHE 55 8.333% * 1.4348% (0.81 1.0 1.00 0.41 0.02) = 1.435% kept HD3 PRO 93 - HA PHE 55 8.333% * 0.3905% (0.97 1.0 1.00 0.09 0.02) = 0.391% T QB PHE 55 - HA VAL 42 8.333% * 0.1587% (0.18 1.0 10.00 0.02 0.02) = 0.159% HD3 PRO 68 - HA PHE 55 8.333% * 0.0855% (0.99 1.0 1.00 0.02 0.02) = 0.086% HB2 PHE 59 - HA PHE 55 8.333% * 0.0741% (0.85 1.0 1.00 0.02 0.02) = 0.074% HD3 PRO 68 - HA VAL 42 8.333% * 0.0157% (0.18 1.0 1.00 0.02 0.02) = 0.016% HD3 PRO 93 - HA VAL 42 8.333% * 0.0154% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB2 PHE 59 - HA VAL 42 8.333% * 0.0136% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB3 CYS 53 - HA VAL 42 8.333% * 0.0129% (0.15 1.0 1.00 0.02 0.02) = 0.013% HD2 ARG+ 54 - HA VAL 42 8.333% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 556 (4.45, 3.33, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.99, support = 3.34, residual support = 15.4: * O T HA PHE 55 - QB PHE 55 25.000% * 95.2152% (1.00 10.0 10.00 3.49 16.20) = 95.215% kept HA ALA 110 - QB PHE 55 25.000% * 2.3153% (0.81 1.0 1.00 0.60 0.43) = 2.315% kept HA GLN 90 - QB PHE 55 25.000% * 2.0498% (0.92 1.0 1.00 0.47 0.02) = 2.050% kept T HA VAL 42 - QB PHE 55 25.000% * 0.4197% (0.44 1.0 10.00 0.02 0.02) = 0.420% Peak 557 (3.33, 3.33, 38.95 ppm): 1 diagonal assignment: * QB PHE 55 - QB PHE 55 (1.00) kept Peak 558 (4.38, 4.38, 60.23 ppm): 1 diagonal assignment: * HA ILE 56 - HA ILE 56 (1.00) kept Peak 559 (1.88, 4.38, 60.23 ppm): 13 chemical-shift based assignments, quality = 0.892, support = 3.51, residual support = 71.7: * O T HB ILE 56 - HA ILE 56 7.692% * 83.7775% (1.00 10.0 10.00 4.01 85.51) = 83.777% kept T HB3 PRO 58 - HA ILE 56 7.692% * 15.2388% (0.35 1.0 10.00 1.03 0.11) = 15.239% kept HB3 GLN 30 - HA ILE 56 7.692% * 0.5760% (0.77 1.0 1.00 0.18 0.97) = 0.576% HB3 LYS+ 38 - HA ILE 56 7.692% * 0.0796% (0.95 1.0 1.00 0.02 0.02) = 0.080% QB LYS+ 106 - HA ILE 56 7.692% * 0.0569% (0.68 1.0 1.00 0.02 0.02) = 0.057% QB LYS+ 81 - HA ILE 56 7.692% * 0.0528% (0.63 1.0 1.00 0.02 0.02) = 0.053% HB2 MET 92 - HA ILE 56 7.692% * 0.0488% (0.58 1.0 1.00 0.02 0.02) = 0.049% HB3 GLN 90 - HA ILE 56 7.692% * 0.0447% (0.53 1.0 1.00 0.02 0.93) = 0.045% QB LYS+ 33 - HA ILE 56 7.692% * 0.0369% (0.44 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 105 - HA ILE 56 7.692% * 0.0264% (0.31 1.0 1.00 0.02 0.02) = 0.026% HG2 ARG+ 54 - HA ILE 56 7.692% * 0.0233% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB ILE 103 - HA ILE 56 7.692% * 0.0204% (0.24 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 68 - HA ILE 56 7.692% * 0.0178% (0.21 1.0 1.00 0.02 0.02) = 0.018% Peak 560 (1.27, 4.38, 60.23 ppm): 7 chemical-shift based assignments, quality = 0.978, support = 4.05, residual support = 73.3: * O QG2 ILE 56 - HA ILE 56 14.286% * 85.6614% (1.00 10.0 1.00 4.68 85.51) = 85.661% kept T HG3 LYS+ 38 - HA ILE 56 14.286% * 13.1937% (0.92 1.0 10.00 0.33 0.02) = 13.194% kept QB ALA 34 - HA ILE 56 14.286% * 0.6674% (0.92 1.0 1.00 0.17 0.02) = 0.667% QG2 THR 39 - HA ILE 56 14.286% * 0.3568% (0.63 1.0 1.00 0.13 0.02) = 0.357% QB ALA 91 - HA ILE 56 14.286% * 0.0540% (0.63 1.0 1.00 0.02 0.02) = 0.054% QG2 THR 23 - HA ILE 56 14.286% * 0.0458% (0.53 1.0 1.00 0.02 0.02) = 0.046% HG13 ILE 19 - HA ILE 56 14.286% * 0.0209% (0.24 1.0 1.00 0.02 0.02) = 0.021% Peak 561 (1.72, 4.38, 60.23 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 3.77, residual support = 84.0: * O T QG1 ILE 56 - HA ILE 56 16.667% * 98.2370% (1.00 10.0 10.00 3.84 85.51) = 98.237% kept T HB3 LYS+ 99 - HA ILE 56 16.667% * 0.9545% (0.97 1.0 10.00 0.02 0.02) = 0.954% T QD LYS+ 99 - HA ILE 56 16.667% * 0.3896% (0.40 1.0 10.00 0.02 0.02) = 0.390% T QD LYS+ 106 - HA ILE 56 16.667% * 0.3483% (0.35 1.0 10.00 0.02 0.02) = 0.348% HB ILE 89 - HA ILE 56 16.667% * 0.0525% (0.53 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 73 - HA ILE 56 16.667% * 0.0181% (0.18 1.0 1.00 0.02 0.45) = 0.018% Peak 563 (4.38, 1.88, 41.57 ppm): 9 chemical-shift based assignments, quality = 0.962, support = 3.85, residual support = 81.8: * O T HA ILE 56 - HB ILE 56 11.111% * 95.6045% (1.00 10.0 10.00 4.01 85.51) = 95.604% kept T HA PRO 58 - HB ILE 56 11.111% * 4.0156% (0.16 1.0 10.00 0.53 0.11) = 4.016% kept HA ASN 35 - HB ILE 56 11.111% * 0.0953% (1.00 1.0 1.00 0.02 0.02) = 0.095% HA LEU 123 - HB ILE 56 11.111% * 0.0929% (0.97 1.0 1.00 0.02 0.02) = 0.093% HA LYS+ 99 - HB ILE 56 11.111% * 0.0883% (0.92 1.0 1.00 0.02 0.02) = 0.088% HA ASP- 113 - HB ILE 56 11.111% * 0.0511% (0.53 1.0 1.00 0.02 0.02) = 0.051% HA LEU 40 - HB ILE 56 11.111% * 0.0266% (0.28 1.0 1.00 0.02 0.63) = 0.027% HA GLU- 15 - HB ILE 56 11.111% * 0.0129% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA SER 13 - HB ILE 56 11.111% * 0.0129% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 564 (1.88, 1.88, 41.57 ppm): 1 diagonal assignment: * HB ILE 56 - HB ILE 56 (1.00) kept Peak 565 (1.27, 1.88, 41.57 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.52, residual support = 78.8: * O T QG2 ILE 56 - HB ILE 56 14.286% * 92.2001% (1.00 10.0 10.00 4.87 85.51) = 92.200% kept T HG3 LYS+ 38 - HB ILE 56 14.286% * 4.4907% (0.92 1.0 10.00 0.11 0.02) = 4.491% kept QB ALA 34 - HB ILE 56 14.286% * 3.1212% (0.92 1.0 1.00 0.73 0.02) = 3.121% kept QB ALA 91 - HB ILE 56 14.286% * 0.0582% (0.63 1.0 1.00 0.02 0.02) = 0.058% QG2 THR 39 - HB ILE 56 14.286% * 0.0582% (0.63 1.0 1.00 0.02 0.02) = 0.058% QG2 THR 23 - HB ILE 56 14.286% * 0.0492% (0.53 1.0 1.00 0.02 0.02) = 0.049% HG13 ILE 19 - HB ILE 56 14.286% * 0.0225% (0.24 1.0 1.00 0.02 0.02) = 0.022% Peak 566 (1.72, 1.88, 41.57 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 4.44, residual support = 84.7: * O T QG1 ILE 56 - HB ILE 56 16.667% * 99.0882% (1.00 10.0 10.00 4.48 85.51) = 99.088% kept T QD LYS+ 99 - HB ILE 56 16.667% * 0.3930% (0.40 1.0 10.00 0.02 0.02) = 0.393% T QD LYS+ 106 - HB ILE 56 16.667% * 0.3514% (0.35 1.0 10.00 0.02 0.02) = 0.351% HB3 LYS+ 99 - HB ILE 56 16.667% * 0.0963% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB ILE 89 - HB ILE 56 16.667% * 0.0529% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB2 LEU 73 - HB ILE 56 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.45) = 0.018% Peak 569 (1.88, 1.27, 17.92 ppm): 13 chemical-shift based assignments, quality = 0.975, support = 4.64, residual support = 81.0: * O T HB ILE 56 - QG2 ILE 56 7.692% * 94.7010% (1.00 10.0 10.00 4.87 85.51) = 94.701% kept HB3 GLN 30 - QG2 ILE 56 7.692% * 2.7404% (0.77 1.0 1.00 0.75 0.97) = 2.740% kept HB3 GLN 90 - QG2 ILE 56 7.692% * 1.3050% (0.53 1.0 1.00 0.52 0.93) = 1.305% kept T HB3 LYS+ 38 - QG2 ILE 56 7.692% * 0.8997% (0.95 1.0 10.00 0.02 0.02) = 0.900% QB LYS+ 106 - QG2 ILE 56 7.692% * 0.0643% (0.68 1.0 1.00 0.02 0.02) = 0.064% QB LYS+ 81 - QG2 ILE 56 7.692% * 0.0597% (0.63 1.0 1.00 0.02 0.02) = 0.060% HB2 MET 92 - QG2 ILE 56 7.692% * 0.0551% (0.58 1.0 1.00 0.02 0.02) = 0.055% QB LYS+ 33 - QG2 ILE 56 7.692% * 0.0417% (0.44 1.0 1.00 0.02 0.02) = 0.042% HB3 PRO 58 - QG2 ILE 56 7.692% * 0.0336% (0.35 1.0 1.00 0.02 0.11) = 0.034% HB3 ASP- 105 - QG2 ILE 56 7.692% * 0.0298% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG2 ARG+ 54 - QG2 ILE 56 7.692% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB ILE 103 - QG2 ILE 56 7.692% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 68 - QG2 ILE 56 7.692% * 0.0201% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 570 (1.27, 1.27, 17.92 ppm): 1 diagonal assignment: * QG2 ILE 56 - QG2 ILE 56 (1.00) kept Peak 571 (1.72, 1.27, 17.92 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 4.82, residual support = 85.3: * O T QG1 ILE 56 - QG2 ILE 56 16.667% * 99.7565% (1.00 10.0 10.00 4.83 85.51) = 99.757% kept HB3 LYS+ 99 - QG2 ILE 56 16.667% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB ILE 89 - QG2 ILE 56 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD LYS+ 99 - QG2 ILE 56 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% QD LYS+ 106 - QG2 ILE 56 16.667% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 73 - QG2 ILE 56 16.667% * 0.0184% (0.18 1.0 1.00 0.02 0.45) = 0.018% Peak 573 (4.38, 1.72, 31.79 ppm): 9 chemical-shift based assignments, quality = 0.983, support = 3.78, residual support = 84.1: * O T HA ILE 56 - QG1 ILE 56 11.111% * 98.3045% (1.00 10.0 10.00 3.84 85.51) = 98.304% kept T HA LYS+ 99 - QG1 ILE 56 11.111% * 0.9075% (0.92 1.0 10.00 0.02 0.02) = 0.907% T HA ASP- 113 - QG1 ILE 56 11.111% * 0.5250% (0.53 1.0 10.00 0.02 0.02) = 0.525% HA ASN 35 - QG1 ILE 56 11.111% * 0.0980% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA LEU 123 - QG1 ILE 56 11.111% * 0.0955% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA LEU 40 - QG1 ILE 56 11.111% * 0.0273% (0.28 1.0 1.00 0.02 0.63) = 0.027% HA PRO 58 - QG1 ILE 56 11.111% * 0.0156% (0.16 1.0 1.00 0.02 0.11) = 0.016% HA GLU- 15 - QG1 ILE 56 11.111% * 0.0133% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA SER 13 - QG1 ILE 56 11.111% * 0.0133% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 574 (1.88, 1.72, 31.79 ppm): 13 chemical-shift based assignments, quality = 0.962, support = 4.24, residual support = 79.7: * O T HB ILE 56 - QG1 ILE 56 7.692% * 93.2252% (1.00 10.0 10.00 4.48 85.51) = 93.225% kept HB3 GLN 30 - QG1 ILE 56 7.692% * 2.6977% (0.77 1.0 1.00 0.75 0.97) = 2.698% kept HB3 PRO 58 - QG1 ILE 56 7.692% * 2.5573% (0.35 1.0 1.00 1.55 0.11) = 2.557% kept T QB LYS+ 106 - QG1 ILE 56 7.692% * 0.6330% (0.68 1.0 10.00 0.02 0.02) = 0.633% HB2 MET 92 - QG1 ILE 56 7.692% * 0.5508% (0.58 1.0 1.00 0.20 0.02) = 0.551% HB3 LYS+ 38 - QG1 ILE 56 7.692% * 0.0886% (0.95 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 81 - QG1 ILE 56 7.692% * 0.0588% (0.63 1.0 1.00 0.02 0.02) = 0.059% HB3 GLN 90 - QG1 ILE 56 7.692% * 0.0498% (0.53 1.0 1.00 0.02 0.93) = 0.050% QB LYS+ 33 - QG1 ILE 56 7.692% * 0.0411% (0.44 1.0 1.00 0.02 0.02) = 0.041% HB3 ASP- 105 - QG1 ILE 56 7.692% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG2 ARG+ 54 - QG1 ILE 56 7.692% * 0.0259% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB ILE 103 - QG1 ILE 56 7.692% * 0.0227% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 68 - QG1 ILE 56 7.692% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 575 (1.27, 1.72, 31.79 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.48, residual support = 78.8: * O T QG2 ILE 56 - QG1 ILE 56 14.286% * 92.1651% (1.00 10.0 10.00 4.83 85.51) = 92.165% kept T HG3 LYS+ 38 - QG1 ILE 56 14.286% * 4.4890% (0.92 1.0 10.00 0.11 0.02) = 4.489% kept QB ALA 34 - QG1 ILE 56 14.286% * 3.1579% (0.92 1.0 1.00 0.74 0.02) = 3.158% kept QB ALA 91 - QG1 ILE 56 14.286% * 0.0581% (0.63 1.0 1.00 0.02 0.02) = 0.058% QG2 THR 39 - QG1 ILE 56 14.286% * 0.0581% (0.63 1.0 1.00 0.02 0.02) = 0.058% QG2 THR 23 - QG1 ILE 56 14.286% * 0.0492% (0.53 1.0 1.00 0.02 0.02) = 0.049% HG13 ILE 19 - QG1 ILE 56 14.286% * 0.0225% (0.24 1.0 1.00 0.02 0.02) = 0.022% Peak 576 (1.72, 1.72, 31.79 ppm): 1 diagonal assignment: * QG1 ILE 56 - QG1 ILE 56 (1.00) kept Peak 583 (4.41, 3.81, 50.93 ppm): 9 chemical-shift based assignments, quality = 0.919, support = 6.49, residual support = 136.4: * O T HA PRO 58 - HD2 PRO 58 11.111% * 99.5395% (0.92 10.0 10.00 6.52 137.07) = 99.540% kept HA GLU- 15 - HD2 PRO 58 11.111% * 0.0992% (0.92 1.0 1.00 0.02 0.02) = 0.099% HA SER 13 - HD2 PRO 58 11.111% * 0.0992% (0.92 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HD2 PRO 58 11.111% * 0.0946% (0.88 1.0 1.00 0.02 0.02) = 0.095% HA THR 46 - HD2 PRO 58 11.111% * 0.0485% (0.45 1.0 1.00 0.02 0.02) = 0.048% HA GLN 17 - HD2 PRO 58 11.111% * 0.0395% (0.37 1.0 1.00 0.02 0.02) = 0.039% HA SER 37 - HD2 PRO 58 11.111% * 0.0395% (0.37 1.0 1.00 0.02 0.02) = 0.039% HA LEU 123 - HD2 PRO 58 11.111% * 0.0243% (0.23 1.0 1.00 0.02 0.02) = 0.024% HA ILE 56 - HD2 PRO 58 11.111% * 0.0158% (0.15 1.0 1.00 0.02 0.11) = 0.016% Peak 584 (2.35, 3.81, 50.93 ppm): 5 chemical-shift based assignments, quality = 0.919, support = 6.6, residual support = 136.5: * O T HB2 PRO 58 - HD2 PRO 58 20.000% * 99.5639% (0.92 10.0 10.00 6.62 137.07) = 99.564% kept T HB2 GLU- 100 - HD2 PRO 58 20.000% * 0.3136% (0.29 1.0 10.00 0.02 0.02) = 0.314% HB3 PHE 97 - HD2 PRO 58 20.000% * 0.0628% (0.58 1.0 1.00 0.02 0.02) = 0.063% HB2 GLN 116 - HD2 PRO 58 20.000% * 0.0439% (0.41 1.0 1.00 0.02 0.02) = 0.044% HG3 GLU- 25 - HD2 PRO 58 20.000% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 585 (1.89, 3.81, 50.93 ppm): 9 chemical-shift based assignments, quality = 0.709, support = 6.8, residual support = 133.2: * O T HB3 PRO 58 - HD2 PRO 58 11.111% * 97.2034% (0.71 10.0 10.00 6.98 137.07) = 97.203% kept HB ILE 56 - HD2 PRO 58 11.111% * 2.3287% (0.71 1.0 1.00 0.48 0.11) = 2.329% kept HB3 GLN 30 - HD2 PRO 58 11.111% * 0.1260% (0.92 1.0 1.00 0.02 0.02) = 0.126% HB2 MET 92 - HD2 PRO 58 11.111% * 0.1197% (0.88 1.0 1.00 0.02 0.02) = 0.120% HB3 LYS+ 38 - HD2 PRO 58 11.111% * 0.1163% (0.85 1.0 1.00 0.02 0.02) = 0.116% QB LYS+ 106 - HD2 PRO 58 11.111% * 0.0350% (0.26 1.0 1.00 0.02 0.02) = 0.035% QB LYS+ 81 - HD2 PRO 58 11.111% * 0.0307% (0.23 1.0 1.00 0.02 0.02) = 0.031% HB3 GLN 90 - HD2 PRO 58 11.111% * 0.0232% (0.17 1.0 1.00 0.02 0.02) = 0.023% QB LYS+ 33 - HD2 PRO 58 11.111% * 0.0170% (0.12 1.0 1.00 0.02 0.02) = 0.017% Peak 586 (2.08, 3.81, 50.93 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 6.33, residual support = 135.4: * O T HG2 PRO 58 - HD2 PRO 58 16.667% * 98.7765% (0.92 10.0 10.00 6.40 137.07) = 98.776% kept T HG3 PRO 52 - HD2 PRO 58 16.667% * 0.9878% (0.92 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HD2 PRO 58 16.667% * 0.0975% (0.91 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HD2 PRO 58 16.667% * 0.0960% (0.90 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HD2 PRO 58 16.667% * 0.0241% (0.23 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HD2 PRO 58 16.667% * 0.0182% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 587 (3.81, 3.81, 50.93 ppm): 1 diagonal assignment: * HD2 PRO 58 - HD2 PRO 58 (0.85) kept Peak 588 (4.41, 4.41, 66.06 ppm): 1 diagonal assignment: * HA PRO 58 - HA PRO 58 (1.00) kept Peak 589 (2.35, 4.41, 66.06 ppm): 5 chemical-shift based assignments, quality = 0.995, support = 5.17, residual support = 136.3: * O T HB2 PRO 58 - HA PRO 58 20.000% * 99.4518% (1.00 10.0 10.00 5.20 137.07) = 99.452% kept T HB2 GLN 116 - HA PRO 58 20.000% * 0.4384% (0.44 1.0 10.00 0.02 0.02) = 0.438% HB3 PHE 97 - HA PRO 58 20.000% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB2 GLU- 100 - HA PRO 58 20.000% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 25 - HA PRO 58 20.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 590 (1.89, 4.41, 66.06 ppm): 9 chemical-shift based assignments, quality = 0.769, support = 5.06, residual support = 107.9: * O T HB3 PRO 58 - HA PRO 58 11.111% * 78.7322% (0.77 10.0 10.00 6.28 137.07) = 78.732% kept T HB ILE 56 - HA PRO 58 11.111% * 20.8888% (0.77 1.0 10.00 0.53 0.11) = 20.889% kept HB3 GLN 30 - HA PRO 58 11.111% * 0.1020% (1.00 1.0 1.00 0.02 0.02) = 0.102% HB2 MET 92 - HA PRO 58 11.111% * 0.0969% (0.95 1.0 1.00 0.02 0.02) = 0.097% HB3 LYS+ 38 - HA PRO 58 11.111% * 0.0942% (0.92 1.0 1.00 0.02 0.02) = 0.094% QB LYS+ 106 - HA PRO 58 11.111% * 0.0284% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB LYS+ 81 - HA PRO 58 11.111% * 0.0249% (0.24 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 90 - HA PRO 58 11.111% * 0.0188% (0.18 1.0 1.00 0.02 0.02) = 0.019% QB LYS+ 33 - HA PRO 58 11.111% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 591 (2.08, 4.41, 66.06 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 5.88, residual support = 135.4: * O T HG2 PRO 58 - HA PRO 58 16.667% * 98.7765% (1.00 10.0 10.00 5.95 137.07) = 98.776% kept T HG3 PRO 52 - HA PRO 58 16.667% * 0.9878% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HA PRO 58 16.667% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HA PRO 58 16.667% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HA PRO 58 16.667% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HA PRO 58 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 592 (3.81, 4.41, 66.06 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 6.44, residual support = 135.4: * O T HD2 PRO 58 - HA PRO 58 20.000% * 98.7997% (0.92 10.0 10.00 6.52 137.07) = 98.800% kept T HA GLU- 100 - HA PRO 58 20.000% * 1.0567% (0.99 1.0 10.00 0.02 0.02) = 1.057% kept HA VAL 83 - HA PRO 58 20.000% * 0.1040% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB2 CYS 53 - HA PRO 58 20.000% * 0.0227% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA LYS+ 38 - HA PRO 58 20.000% * 0.0169% (0.16 1.0 1.00 0.02 0.02) = 0.017% Peak 593 (4.41, 2.35, 31.07 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 5.17, residual support = 136.4: * O T HA PRO 58 - HB2 PRO 58 11.111% * 99.5395% (1.00 10.0 10.00 5.20 137.07) = 99.540% kept HA GLU- 15 - HB2 PRO 58 11.111% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA SER 13 - HB2 PRO 58 11.111% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HB2 PRO 58 11.111% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HA THR 46 - HB2 PRO 58 11.111% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLN 17 - HB2 PRO 58 11.111% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA SER 37 - HB2 PRO 58 11.111% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA LEU 123 - HB2 PRO 58 11.111% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA ILE 56 - HB2 PRO 58 11.111% * 0.0158% (0.16 1.0 1.00 0.02 0.11) = 0.016% Peak 594 (2.35, 2.35, 31.07 ppm): 1 diagonal assignment: * HB2 PRO 58 - HB2 PRO 58 (1.00) kept Peak 595 (1.89, 2.35, 31.07 ppm): 9 chemical-shift based assignments, quality = 0.767, support = 4.51, residual support = 136.3: * O T HB3 PRO 58 - HB2 PRO 58 11.111% * 99.4220% (0.77 10.0 10.00 4.53 137.07) = 99.422% kept HB3 GLN 30 - HB2 PRO 58 11.111% * 0.1288% (1.00 1.0 1.00 0.02 0.02) = 0.129% HB2 MET 92 - HB2 PRO 58 11.111% * 0.1224% (0.95 1.0 1.00 0.02 0.02) = 0.122% HB3 LYS+ 38 - HB2 PRO 58 11.111% * 0.1189% (0.92 1.0 1.00 0.02 0.02) = 0.119% HB ILE 56 - HB2 PRO 58 11.111% * 0.0994% (0.77 1.0 1.00 0.02 0.11) = 0.099% QB LYS+ 106 - HB2 PRO 58 11.111% * 0.0358% (0.28 1.0 1.00 0.02 0.02) = 0.036% QB LYS+ 81 - HB2 PRO 58 11.111% * 0.0314% (0.24 1.0 1.00 0.02 0.02) = 0.031% HB3 GLN 90 - HB2 PRO 58 11.111% * 0.0237% (0.18 1.0 1.00 0.02 0.02) = 0.024% QB LYS+ 33 - HB2 PRO 58 11.111% * 0.0174% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 596 (2.08, 2.35, 31.07 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 4.18, residual support = 135.4: * O T HG2 PRO 58 - HB2 PRO 58 16.667% * 98.7765% (1.00 10.0 10.00 4.23 137.07) = 98.776% kept T HG3 PRO 52 - HB2 PRO 58 16.667% * 0.9878% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HB2 PRO 58 16.667% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 11 - HB2 PRO 58 16.667% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 PRO 68 - HB2 PRO 58 16.667% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HB2 PRO 58 16.667% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 597 (3.81, 2.35, 31.07 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 6.54, residual support = 135.4: * O T HD2 PRO 58 - HB2 PRO 58 20.000% * 98.7997% (0.92 10.0 10.00 6.62 137.07) = 98.800% kept T HA GLU- 100 - HB2 PRO 58 20.000% * 1.0567% (0.99 1.0 10.00 0.02 0.02) = 1.057% kept HA VAL 83 - HB2 PRO 58 20.000% * 0.1040% (0.97 1.0 1.00 0.02 0.02) = 0.104% HB2 CYS 53 - HB2 PRO 58 20.000% * 0.0227% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA LYS+ 38 - HB2 PRO 58 20.000% * 0.0169% (0.16 1.0 1.00 0.02 0.02) = 0.017% Peak 598 (4.41, 1.89, 31.07 ppm): 9 chemical-shift based assignments, quality = 0.767, support = 6.24, residual support = 136.2: * O T HA PRO 58 - HB3 PRO 58 11.111% * 99.3986% (0.77 10.0 10.00 6.28 137.07) = 99.399% kept T HA ILE 56 - HB3 PRO 58 11.111% * 0.1574% (0.12 1.0 10.00 0.02 0.11) = 0.157% HA SER 13 - HB3 PRO 58 11.111% * 0.0991% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 15 - HB3 PRO 58 11.111% * 0.0991% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HB3 PRO 58 11.111% * 0.0944% (0.73 1.0 1.00 0.02 0.02) = 0.094% HA THR 46 - HB3 PRO 58 11.111% * 0.0484% (0.38 1.0 1.00 0.02 0.02) = 0.048% HA GLN 17 - HB3 PRO 58 11.111% * 0.0394% (0.31 1.0 1.00 0.02 0.02) = 0.039% HA SER 37 - HB3 PRO 58 11.111% * 0.0394% (0.31 1.0 1.00 0.02 0.02) = 0.039% HA LEU 123 - HB3 PRO 58 11.111% * 0.0242% (0.19 1.0 1.00 0.02 0.02) = 0.024% Peak 599 (2.35, 1.89, 31.07 ppm): 5 chemical-shift based assignments, quality = 0.764, support = 4.44, residual support = 133.7: * O T HB2 PRO 58 - HB3 PRO 58 20.000% * 97.5377% (0.77 10.0 10.00 4.53 137.07) = 97.538% kept HB3 PHE 97 - HB3 PRO 58 20.000% * 2.3731% (0.49 1.0 1.00 0.77 0.02) = 2.373% kept HB2 GLN 116 - HB3 PRO 58 20.000% * 0.0430% (0.34 1.0 1.00 0.02 0.02) = 0.043% HB2 GLU- 100 - HB3 PRO 58 20.000% * 0.0307% (0.24 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 25 - HB3 PRO 58 20.000% * 0.0154% (0.12 1.0 1.00 0.02 0.02) = 0.015% Peak 600 (1.89, 1.89, 31.07 ppm): 1 diagonal assignment: * HB3 PRO 58 - HB3 PRO 58 (0.60) kept Peak 601 (2.08, 1.89, 31.07 ppm): 6 chemical-shift based assignments, quality = 0.749, support = 4.17, residual support = 133.1: * O T HG2 PRO 58 - HB3 PRO 58 16.667% * 97.0858% (0.77 10.0 10.00 4.29 137.07) = 97.086% kept T HG3 PRO 52 - HB3 PRO 58 16.667% * 0.9709% (0.77 1.0 10.00 0.02 0.02) = 0.971% T HB2 GLU- 14 - HB3 PRO 58 16.667% * 0.9585% (0.76 1.0 10.00 0.02 0.02) = 0.959% T HG2 MET 11 - HB3 PRO 58 16.667% * 0.9433% (0.75 1.0 10.00 0.02 0.02) = 0.943% HB2 PRO 68 - HB3 PRO 58 16.667% * 0.0237% (0.19 1.0 1.00 0.02 0.02) = 0.024% HB2 PRO 93 - HB3 PRO 58 16.667% * 0.0179% (0.14 1.0 1.00 0.02 0.02) = 0.018% Peak 602 (3.81, 1.89, 31.07 ppm): 5 chemical-shift based assignments, quality = 0.709, support = 6.95, residual support = 136.5: * O T HD2 PRO 58 - HB3 PRO 58 20.000% * 99.5949% (0.71 10.0 10.00 6.98 137.07) = 99.595% kept T HA LYS+ 38 - HB3 PRO 58 20.000% * 0.1708% (0.12 1.0 10.00 0.02 0.02) = 0.171% HA GLU- 100 - HB3 PRO 58 20.000% * 0.1065% (0.76 1.0 1.00 0.02 0.02) = 0.107% HA VAL 83 - HB3 PRO 58 20.000% * 0.1048% (0.75 1.0 1.00 0.02 0.02) = 0.105% HB2 CYS 53 - HB3 PRO 58 20.000% * 0.0229% (0.16 1.0 1.00 0.02 0.02) = 0.023% Peak 603 (4.41, 2.08, 28.60 ppm): 18 chemical-shift based assignments, quality = 0.984, support = 5.86, residual support = 134.9: * O T HA PRO 58 - HG2 PRO 58 5.556% * 98.3800% (1.00 10.0 10.00 5.95 137.07) = 98.380% kept T HA PRO 58 - HG3 PRO 52 5.556% * 0.7965% (0.81 1.0 10.00 0.02 0.02) = 0.796% HA GLU- 15 - HG2 PRO 58 5.556% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA SER 13 - HG2 PRO 58 5.556% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA LEU 40 - HG2 PRO 58 5.556% * 0.0935% (0.95 1.0 1.00 0.02 0.02) = 0.093% HA SER 13 - HG3 PRO 52 5.556% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% HA GLU- 15 - HG3 PRO 52 5.556% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% HA LEU 40 - HG3 PRO 52 5.556% * 0.0757% (0.77 1.0 1.00 0.02 0.02) = 0.076% HA THR 46 - HG2 PRO 58 5.556% * 0.0479% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLN 17 - HG2 PRO 58 5.556% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA SER 37 - HG2 PRO 58 5.556% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA THR 46 - HG3 PRO 52 5.556% * 0.0388% (0.39 1.0 1.00 0.02 0.02) = 0.039% HA SER 37 - HG3 PRO 52 5.556% * 0.0316% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA GLN 17 - HG3 PRO 52 5.556% * 0.0316% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA LEU 123 - HG2 PRO 58 5.556% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA LEU 123 - HG3 PRO 52 5.556% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA ILE 56 - HG2 PRO 58 5.556% * 0.0156% (0.16 1.0 1.00 0.02 0.11) = 0.016% HA ILE 56 - HG3 PRO 52 5.556% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 604 (2.35, 2.08, 28.60 ppm): 10 chemical-shift based assignments, quality = 0.989, support = 4.19, residual support = 135.6: * O T HB2 PRO 58 - HG2 PRO 58 10.000% * 98.9226% (1.00 10.0 10.00 4.23 137.07) = 98.923% kept T HB2 PRO 58 - HG3 PRO 52 10.000% * 0.8008% (0.81 1.0 10.00 0.02 0.02) = 0.801% HB3 PHE 97 - HG2 PRO 58 10.000% * 0.0624% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB3 PHE 97 - HG3 PRO 52 10.000% * 0.0505% (0.51 1.0 1.00 0.02 0.02) = 0.051% HB2 GLN 116 - HG2 PRO 58 10.000% * 0.0436% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 116 - HG3 PRO 52 10.000% * 0.0353% (0.36 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 100 - HG2 PRO 58 10.000% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 GLU- 100 - HG3 PRO 52 10.000% * 0.0252% (0.26 1.0 1.00 0.02 0.02) = 0.025% HG3 GLU- 25 - HG2 PRO 58 10.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 25 - HG3 PRO 52 10.000% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 605 (1.89, 2.08, 28.60 ppm): 18 chemical-shift based assignments, quality = 0.758, support = 4.21, residual support = 134.6: * O T HB3 PRO 58 - HG2 PRO 58 5.556% * 98.1725% (0.77 10.0 10.00 4.29 137.07) = 98.172% kept T HB3 PRO 58 - HG3 PRO 52 5.556% * 0.7948% (0.62 1.0 10.00 0.02 0.02) = 0.795% HB3 GLN 30 - HG2 PRO 58 5.556% * 0.1272% (1.00 1.0 1.00 0.02 0.02) = 0.127% HB2 MET 92 - HG2 PRO 58 5.556% * 0.1209% (0.95 1.0 1.00 0.02 0.02) = 0.121% HB3 LYS+ 38 - HG2 PRO 58 5.556% * 0.1174% (0.92 1.0 1.00 0.02 0.02) = 0.117% HB3 GLN 30 - HG3 PRO 52 5.556% * 0.1030% (0.81 1.0 1.00 0.02 0.02) = 0.103% HB ILE 56 - HG2 PRO 58 5.556% * 0.0982% (0.77 1.0 1.00 0.02 0.11) = 0.098% HB2 MET 92 - HG3 PRO 52 5.556% * 0.0979% (0.77 1.0 1.00 0.02 0.02) = 0.098% HB3 LYS+ 38 - HG3 PRO 52 5.556% * 0.0951% (0.75 1.0 1.00 0.02 0.02) = 0.095% HB ILE 56 - HG3 PRO 52 5.556% * 0.0795% (0.62 1.0 1.00 0.02 0.02) = 0.079% QB LYS+ 106 - HG2 PRO 58 5.556% * 0.0354% (0.28 1.0 1.00 0.02 0.02) = 0.035% QB LYS+ 81 - HG2 PRO 58 5.556% * 0.0310% (0.24 1.0 1.00 0.02 0.02) = 0.031% QB LYS+ 106 - HG3 PRO 52 5.556% * 0.0286% (0.23 1.0 1.00 0.02 0.02) = 0.029% QB LYS+ 81 - HG3 PRO 52 5.556% * 0.0251% (0.20 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 90 - HG2 PRO 58 5.556% * 0.0234% (0.18 1.0 1.00 0.02 0.02) = 0.023% HB3 GLN 90 - HG3 PRO 52 5.556% * 0.0190% (0.15 1.0 1.00 0.02 0.02) = 0.019% QB LYS+ 33 - HG2 PRO 58 5.556% * 0.0172% (0.14 1.0 1.00 0.02 0.02) = 0.017% QB LYS+ 33 - HG3 PRO 52 5.556% * 0.0139% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 606 (2.08, 2.08, 28.60 ppm): 2 diagonal assignments: * HG2 PRO 58 - HG2 PRO 58 (1.00) kept HG3 PRO 52 - HG3 PRO 52 (0.81) kept Peak 607 (3.81, 2.08, 28.60 ppm): 10 chemical-shift based assignments, quality = 0.884, support = 6.25, residual support = 131.8: * O T HD2 PRO 58 - HG2 PRO 58 10.000% * 95.0887% (0.92 10.0 10.00 6.40 137.07) = 95.089% kept HB2 CYS 53 - HG3 PRO 52 10.000% * 3.7250% (0.17 1.0 1.00 4.20 39.58) = 3.725% kept T HD2 PRO 58 - HG3 PRO 52 10.000% * 0.7698% (0.75 1.0 10.00 0.02 0.02) = 0.770% HA GLU- 100 - HG2 PRO 58 10.000% * 0.1017% (0.99 1.0 1.00 0.02 0.02) = 0.102% HA VAL 83 - HG2 PRO 58 10.000% * 0.1001% (0.97 1.0 1.00 0.02 0.02) = 0.100% HA GLU- 100 - HG3 PRO 52 10.000% * 0.0823% (0.80 1.0 1.00 0.02 0.02) = 0.082% HA VAL 83 - HG3 PRO 52 10.000% * 0.0810% (0.79 1.0 1.00 0.02 0.02) = 0.081% HB2 CYS 53 - HG2 PRO 58 10.000% * 0.0219% (0.21 1.0 1.00 0.02 0.02) = 0.022% HA LYS+ 38 - HG2 PRO 58 10.000% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA LYS+ 38 - HG3 PRO 52 10.000% * 0.0132% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 608 (4.35, 4.35, 60.90 ppm): 1 diagonal assignment: * HA PHE 59 - HA PHE 59 (1.00) kept Peak 609 (3.32, 4.35, 60.90 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.05, residual support = 50.1: * O T HB2 PHE 59 - HA PHE 59 16.667% * 99.6774% (1.00 10.0 10.00 3.06 50.28) = 99.677% kept QB PHE 55 - HA PHE 59 16.667% * 0.0852% (0.85 1.0 1.00 0.02 0.02) = 0.085% HD3 PRO 68 - HA PHE 59 16.667% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% HD3 PRO 93 - HA PHE 59 16.667% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 CYS 53 - HA PHE 59 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HD2 ARG+ 54 - HA PHE 59 16.667% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 610 (3.16, 4.35, 60.90 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 50.3: * O T HB3 PHE 59 - HA PHE 59 50.000% * 99.9685% (1.00 10.0 10.00 3.74 50.28) = 99.969% kept HB3 TRP 49 - HA PHE 59 50.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 611 (4.35, 3.32, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.05, residual support = 50.2: * O T HA PHE 59 - HB2 PHE 59 33.333% * 99.9026% (1.00 10.0 10.00 3.06 50.28) = 99.903% kept HA TRP 87 - HB2 PHE 59 33.333% * 0.0534% (0.53 1.0 1.00 0.02 0.11) = 0.053% HA ASP- 113 - HB2 PHE 59 33.333% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% Peak 612 (3.32, 3.32, 39.73 ppm): 1 diagonal assignment: * HB2 PHE 59 - HB2 PHE 59 (1.00) kept Peak 613 (3.16, 3.32, 39.73 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 50.3: * O T HB3 PHE 59 - HB2 PHE 59 50.000% * 99.9685% (1.00 10.0 10.00 3.33 50.28) = 99.969% kept HB3 TRP 49 - HB2 PHE 59 50.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 614 (4.35, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 3.73, residual support = 50.1: * O T HA PHE 59 - HB3 PHE 59 33.333% * 99.6662% (1.00 10.0 10.00 3.74 50.28) = 99.666% kept HA ASP- 113 - HB3 PHE 59 33.333% * 0.2806% (0.44 1.0 1.00 0.13 0.02) = 0.281% HA TRP 87 - HB3 PHE 59 33.333% * 0.0532% (0.53 1.0 1.00 0.02 0.11) = 0.053% Peak 615 (3.32, 3.16, 39.73 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 3.26, residual support = 49.0: * O T HB2 PHE 59 - HB3 PHE 59 16.667% * 97.3988% (1.00 10.0 10.00 3.33 50.28) = 97.399% kept QB PHE 55 - HB3 PHE 59 16.667% * 2.3693% (0.85 1.0 1.00 0.57 0.02) = 2.369% kept HD3 PRO 68 - HB3 PHE 59 16.667% * 0.0752% (0.77 1.0 1.00 0.02 0.02) = 0.075% HD3 PRO 93 - HB3 PHE 59 16.667% * 0.0707% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 CYS 53 - HB3 PHE 59 16.667% * 0.0474% (0.49 1.0 1.00 0.02 0.02) = 0.047% HD2 ARG+ 54 - HB3 PHE 59 16.667% * 0.0386% (0.40 1.0 1.00 0.02 0.02) = 0.039% Peak 616 (3.16, 3.16, 39.73 ppm): 1 diagonal assignment: * HB3 PHE 59 - HB3 PHE 59 (1.00) kept Peak 617 (3.92, 3.92, 62.21 ppm): 1 diagonal assignment: * HA PHE 60 - HA PHE 60 (1.00) kept Peak 618 (3.40, 3.92, 62.21 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 59.2: * O T HB2 PHE 60 - HA PHE 60 50.000% * 97.9950% (1.00 10.0 10.00 4.00 60.43) = 97.995% kept HB2 TRP 87 - HA PHE 60 50.000% * 2.0050% (0.99 1.0 1.00 0.41 0.44) = 2.005% kept Peak 619 (2.97, 3.92, 62.21 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 60.3: * O T HB3 PHE 60 - HA PHE 60 20.000% * 99.8194% (1.00 10.0 10.00 4.00 60.43) = 99.819% kept QE LYS+ 106 - HA PHE 60 20.000% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 PHE 97 - HA PHE 60 20.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB3 TRP 27 - HA PHE 60 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 ASN 35 - HA PHE 60 20.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 620 (3.92, 3.40, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 59.9: * O T HA PHE 60 - HB2 PHE 60 25.000% * 99.1474% (1.00 10.0 10.00 4.00 60.43) = 99.147% kept QB SER 117 - HB2 PHE 60 25.000% * 0.8158% (0.49 1.0 1.00 0.34 0.02) = 0.816% HA2 GLY 51 - HB2 PHE 60 25.000% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA LYS+ 121 - HB2 PHE 60 25.000% * 0.0157% (0.16 1.0 1.00 0.02 0.76) = 0.016% Peak 621 (3.40, 3.40, 40.02 ppm): 1 diagonal assignment: * HB2 PHE 60 - HB2 PHE 60 (1.00) kept Peak 622 (2.97, 3.40, 40.02 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 60.3: * O T HB3 PHE 60 - HB2 PHE 60 20.000% * 99.8194% (1.00 10.0 10.00 4.00 60.43) = 99.819% kept QE LYS+ 106 - HB2 PHE 60 20.000% * 0.0921% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB2 PHE 97 - HB2 PHE 60 20.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB3 TRP 27 - HB2 PHE 60 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 ASN 35 - HB2 PHE 60 20.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 623 (3.92, 2.97, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 3.96, residual support = 59.7: * O T HA PHE 60 - HB3 PHE 60 25.000% * 98.8640% (1.00 10.0 10.00 4.00 60.43) = 98.864% kept QB SER 117 - HB3 PHE 60 25.000% * 1.0993% (0.49 1.0 1.00 0.46 0.02) = 1.099% kept HA2 GLY 51 - HB3 PHE 60 25.000% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA LYS+ 121 - HB3 PHE 60 25.000% * 0.0157% (0.16 1.0 1.00 0.02 0.76) = 0.016% Peak 624 (3.40, 2.97, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.86, residual support = 57.5: * O T HB2 PHE 60 - HB3 PHE 60 50.000% * 95.1873% (1.00 10.0 10.00 4.00 60.43) = 95.187% kept HB2 TRP 87 - HB3 PHE 60 50.000% * 4.8127% (0.99 1.0 1.00 1.02 0.44) = 4.813% kept Peak 625 (2.97, 2.97, 40.02 ppm): 1 diagonal assignment: * HB3 PHE 60 - HB3 PHE 60 (1.00) kept Peak 626 (3.74, 3.74, 54.57 ppm): 1 diagonal assignment: * HA ALA 61 - HA ALA 61 (1.00) kept Peak 627 (1.43, 3.74, 54.57 ppm): 11 chemical-shift based assignments, quality = 0.975, support = 2.02, residual support = 13.5: * O T QB ALA 61 - HA ALA 61 9.091% * 97.5399% (1.00 10.0 10.00 2.07 13.89) = 97.540% kept T QB ALA 110 - HA ALA 61 9.091% * 0.8693% (0.89 1.0 10.00 0.02 0.02) = 0.869% HG12 ILE 19 - HA ALA 61 9.091% * 0.7704% (0.81 1.0 1.00 0.19 0.02) = 0.770% QG LYS+ 66 - HA ALA 61 9.091% * 0.4829% (0.77 1.0 1.00 0.13 0.02) = 0.483% HB3 LEU 67 - HA ALA 61 9.091% * 0.0927% (0.95 1.0 1.00 0.02 0.02) = 0.093% HG LEU 80 - HA ALA 61 9.091% * 0.0900% (0.92 1.0 1.00 0.02 0.02) = 0.090% HG LEU 73 - HA ALA 61 9.091% * 0.0521% (0.53 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 102 - HA ALA 61 9.091% * 0.0387% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB2 LEU 80 - HA ALA 61 9.091% * 0.0307% (0.31 1.0 1.00 0.02 0.02) = 0.031% HD3 LYS+ 121 - HA ALA 61 9.091% * 0.0179% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 74 - HA ALA 61 9.091% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 628 (3.74, 1.43, 17.92 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 2.05, residual support = 13.8: * O T HA ALA 61 - QB ALA 61 16.667% * 99.0818% (1.00 10.0 10.00 2.07 13.89) = 99.082% kept T HA ALA 61 - QB ALA 110 16.667% * 0.7078% (0.71 1.0 10.00 0.02 0.02) = 0.708% HD2 PRO 68 - QB ALA 61 16.667% * 0.0915% (0.92 1.0 1.00 0.02 0.02) = 0.091% HD2 PRO 68 - QB ALA 110 16.667% * 0.0653% (0.66 1.0 1.00 0.02 0.02) = 0.065% HD3 PRO 58 - QB ALA 61 16.667% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HD3 PRO 58 - QB ALA 110 16.667% * 0.0223% (0.23 1.0 1.00 0.02 0.02) = 0.022% Peak 629 (1.43, 1.43, 17.92 ppm): 2 diagonal assignments: * QB ALA 61 - QB ALA 61 (1.00) kept QB ALA 110 - QB ALA 110 (0.64) kept Peak 630 (4.22, 4.22, 57.45 ppm): 1 diagonal assignment: * HA ASP- 62 - HA ASP- 62 (1.00) kept Peak 631 (2.65, 4.22, 57.45 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 39.4: * O T HB2 ASP- 62 - HA ASP- 62 50.000% * 99.9559% (1.00 10.0 10.00 3.00 39.43) = 99.956% kept HB2 PRO 52 - HA ASP- 62 50.000% * 0.0441% (0.44 1.0 1.00 0.02 1.88) = 0.044% Peak 632 (2.45, 4.22, 57.45 ppm): 5 chemical-shift based assignments, quality = 0.969, support = 2.99, residual support = 39.3: * O T HB3 ASP- 62 - HA ASP- 62 20.000% * 99.7702% (0.97 10.0 10.00 3.00 39.43) = 99.770% kept HG3 MET 96 - HA ASP- 62 20.000% * 0.0837% (0.81 1.0 1.00 0.02 0.02) = 0.084% HG2 GLU- 36 - HA ASP- 62 20.000% * 0.0548% (0.53 1.0 1.00 0.02 0.02) = 0.055% HB3 ASP- 86 - HA ASP- 62 20.000% * 0.0548% (0.53 1.0 1.00 0.02 0.48) = 0.055% HG2 GLU- 29 - HA ASP- 62 20.000% * 0.0364% (0.35 1.0 1.00 0.02 0.02) = 0.036% Peak 633 (4.22, 2.65, 41.28 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 39.4: * O T HA ASP- 62 - HB2 ASP- 62 25.000% * 99.8512% (1.00 10.0 10.00 3.00 39.43) = 99.851% kept HB THR 26 - HB2 ASP- 62 25.000% * 0.0890% (0.89 1.0 1.00 0.02 0.02) = 0.089% HA SER 117 - HB2 ASP- 62 25.000% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA SER 82 - HB2 ASP- 62 25.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 634 (2.65, 2.65, 41.28 ppm): 1 diagonal assignment: * HB2 ASP- 62 - HB2 ASP- 62 (1.00) kept Peak 635 (2.45, 2.65, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.963, support = 2.96, residual support = 38.8: * O T HB3 ASP- 62 - HB2 ASP- 62 20.000% * 98.3056% (0.97 10.0 10.00 3.00 39.43) = 98.306% kept HB3 ASP- 86 - HB2 ASP- 62 20.000% * 1.5220% (0.53 1.0 1.00 0.56 0.48) = 1.522% kept HG3 MET 96 - HB2 ASP- 62 20.000% * 0.0824% (0.81 1.0 1.00 0.02 0.02) = 0.082% HG2 GLU- 36 - HB2 ASP- 62 20.000% * 0.0540% (0.53 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 29 - HB2 ASP- 62 20.000% * 0.0359% (0.35 1.0 1.00 0.02 0.02) = 0.036% Peak 636 (4.22, 2.45, 41.28 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 3.0, residual support = 39.4: * O T HA ASP- 62 - HB3 ASP- 62 25.000% * 99.8512% (0.97 10.0 10.00 3.00 39.43) = 99.851% kept HB THR 26 - HB3 ASP- 62 25.000% * 0.0890% (0.87 1.0 1.00 0.02 0.02) = 0.089% HA SER 117 - HB3 ASP- 62 25.000% * 0.0440% (0.43 1.0 1.00 0.02 0.02) = 0.044% HA SER 82 - HB3 ASP- 62 25.000% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 637 (2.65, 2.45, 41.28 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 3.0, residual support = 39.4: * O T HB2 ASP- 62 - HB3 ASP- 62 50.000% * 99.9559% (0.97 10.0 10.00 3.00 39.43) = 99.956% kept HB2 PRO 52 - HB3 ASP- 62 50.000% * 0.0441% (0.43 1.0 1.00 0.02 1.88) = 0.044% Peak 638 (2.45, 2.45, 41.28 ppm): 1 diagonal assignment: * HB3 ASP- 62 - HB3 ASP- 62 (0.94) kept Peak 639 (3.50, 3.50, 57.67 ppm): 1 diagonal assignment: * HA LEU 63 - HA LEU 63 (1.00) kept Peak 640 (1.34, 3.50, 57.67 ppm): 11 chemical-shift based assignments, quality = 0.981, support = 6.01, residual support = 188.4: * O T HB2 LEU 63 - HA LEU 63 9.091% * 95.5775% (1.00 10.0 10.00 6.27 197.16) = 95.578% kept HG2 LYS+ 111 - HA LEU 63 9.091% * 2.0432% (0.77 1.0 1.00 0.55 0.12) = 2.043% kept HB3 PRO 93 - HA LEU 63 9.091% * 1.8329% (0.53 1.0 1.00 0.72 0.32) = 1.833% kept HB3 ASP- 44 - HA LEU 63 9.091% * 0.0929% (0.97 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 80 - HA LEU 63 9.091% * 0.0929% (0.97 1.0 1.00 0.02 0.48) = 0.093% QB ALA 124 - HA LEU 63 9.091% * 0.0817% (0.85 1.0 1.00 0.02 0.02) = 0.082% HB2 LEU 31 - HA LEU 63 9.091% * 0.0817% (0.85 1.0 1.00 0.02 0.02) = 0.082% HG LEU 98 - HA LEU 63 9.091% * 0.0694% (0.73 1.0 1.00 0.02 0.02) = 0.069% QB ALA 84 - HA LEU 63 9.091% * 0.0557% (0.58 1.0 1.00 0.02 0.11) = 0.056% HG2 LYS+ 99 - HA LEU 63 9.091% * 0.0421% (0.44 1.0 1.00 0.02 0.02) = 0.042% HG2 LYS+ 38 - HA LEU 63 9.091% * 0.0301% (0.31 1.0 1.00 0.02 0.02) = 0.030% Peak 641 (0.88, 3.50, 57.67 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.97, residual support = 196.8: * O T HB3 LEU 63 - HA LEU 63 16.667% * 99.8022% (1.00 10.0 10.00 5.98 197.16) = 99.802% kept QG1 VAL 18 - HA LEU 63 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% QG1 VAL 108 - HA LEU 63 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 70 - HA LEU 63 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD1 LEU 123 - HA LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - HA LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 642 (1.06, 3.50, 57.67 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 5.66, residual support = 190.5: * O T HG LEU 63 - HA LEU 63 33.333% * 96.6088% (1.00 10.0 10.00 5.83 197.16) = 96.609% kept HG3 LYS+ 112 - HA LEU 63 33.333% * 2.9763% (0.68 1.0 1.00 0.91 0.23) = 2.976% kept QG2 VAL 24 - HA LEU 63 33.333% * 0.4149% (0.95 1.0 1.00 0.09 1.71) = 0.415% Peak 643 (0.58, 3.50, 57.67 ppm): 6 chemical-shift based assignments, quality = 0.845, support = 4.82, residual support = 168.8: * T QD1 LEU 63 - HA LEU 63 16.667% * 59.0807% (1.00 10.00 5.55 197.16) = 59.081% kept T QD2 LEU 63 - HA LEU 63 16.667% * 26.0418% (0.44 10.00 5.67 197.16) = 26.042% kept T QD1 LEU 73 - HA LEU 63 16.667% * 13.9180% (1.00 10.00 0.47 7.26) = 13.918% kept QD2 LEU 80 - HA LEU 63 16.667% * 0.6534% (0.73 1.00 0.30 0.48) = 0.653% T QD1 LEU 104 - HA LEU 63 16.667% * 0.2604% (0.44 10.00 0.02 0.02) = 0.260% QD2 LEU 115 - HA LEU 63 16.667% * 0.0456% (0.77 1.00 0.02 0.02) = 0.046% Peak 644 (0.57, 3.50, 57.67 ppm): 6 chemical-shift based assignments, quality = 0.802, support = 5.28, residual support = 184.3: * T QD2 LEU 63 - HA LEU 63 16.667% * 64.6971% (1.00 10.00 5.67 197.16) = 64.697% kept T QD1 LEU 63 - HA LEU 63 16.667% * 28.5174% (0.44 10.00 5.55 197.16) = 28.517% kept T QD1 LEU 73 - HA LEU 63 16.667% * 6.7180% (0.44 10.00 0.47 7.26) = 6.718% kept QG2 VAL 41 - HA LEU 63 16.667% * 0.0315% (0.49 1.00 0.02 0.02) = 0.031% QD2 LEU 98 - HA LEU 63 16.667% * 0.0180% (0.28 1.00 0.02 0.02) = 0.018% QD1 LEU 80 - HA LEU 63 16.667% * 0.0180% (0.28 1.00 0.02 0.48) = 0.018% Peak 645 (3.50, 1.34, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 6.15, residual support = 193.0: * O T HA LEU 63 - HB2 LEU 63 33.333% * 97.8627% (1.00 10.0 10.00 6.27 197.16) = 97.863% kept HB2 HIS 22 - HB2 LEU 63 33.333% * 2.1135% (0.68 1.0 1.00 0.64 0.39) = 2.113% kept HA2 GLY 101 - HB2 LEU 63 33.333% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 646 (1.34, 1.34, 41.55 ppm): 1 diagonal assignment: * HB2 LEU 63 - HB2 LEU 63 (1.00) kept Peak 647 (0.88, 1.34, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.29, residual support = 196.8: * O T HB3 LEU 63 - HB2 LEU 63 16.667% * 99.8022% (1.00 10.0 10.00 6.30 197.16) = 99.802% kept QG1 VAL 18 - HB2 LEU 63 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% QG1 VAL 108 - HB2 LEU 63 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 70 - HB2 LEU 63 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD1 LEU 123 - HB2 LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - HB2 LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 648 (1.06, 1.34, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 6.11, residual support = 190.3: * O T HG LEU 63 - HB2 LEU 63 33.333% * 96.5248% (1.00 10.0 10.00 6.30 197.16) = 96.525% kept HG3 LYS+ 112 - HB2 LEU 63 33.333% * 3.1101% (0.68 1.0 1.00 0.95 0.23) = 3.110% kept QG2 VAL 24 - HB2 LEU 63 33.333% * 0.3651% (0.95 1.0 1.00 0.08 1.71) = 0.365% Peak 649 (0.58, 1.34, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.895, support = 4.34, residual support = 121.1: * O T QD1 LEU 63 - HB2 LEU 63 16.667% * 41.6198% (1.00 10.0 10.00 5.94 197.16) = 41.620% kept T QD1 LEU 73 - HB2 LEU 63 16.667% * 39.7890% (1.00 1.0 10.00 1.91 7.26) = 39.789% kept O T QD2 LEU 63 - HB2 LEU 63 16.667% * 18.3454% (0.44 10.0 10.00 6.05 197.16) = 18.345% kept T QD1 LEU 104 - HB2 LEU 63 16.667% * 0.1835% (0.44 1.0 10.00 0.02 0.02) = 0.183% QD2 LEU 115 - HB2 LEU 63 16.667% * 0.0321% (0.77 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 80 - HB2 LEU 63 16.667% * 0.0302% (0.73 1.0 1.00 0.02 0.48) = 0.030% Peak 650 (0.57, 1.34, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.741, support = 5.09, residual support = 154.1: * O T QD2 LEU 63 - HB2 LEU 63 16.667% * 53.6705% (1.00 10.0 10.00 6.05 197.16) = 53.670% kept O T QD1 LEU 63 - HB2 LEU 63 16.667% * 23.6571% (0.44 10.0 10.00 5.94 197.16) = 23.657% kept T QD1 LEU 73 - HB2 LEU 63 16.667% * 22.6165% (0.44 1.0 10.00 1.91 7.26) = 22.616% kept QG2 VAL 41 - HB2 LEU 63 16.667% * 0.0261% (0.49 1.0 1.00 0.02 0.02) = 0.026% QD2 LEU 98 - HB2 LEU 63 16.667% * 0.0149% (0.28 1.0 1.00 0.02 0.02) = 0.015% QD1 LEU 80 - HB2 LEU 63 16.667% * 0.0149% (0.28 1.0 1.00 0.02 0.48) = 0.015% Peak 651 (3.50, 0.88, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 5.86, residual support = 192.6: * O T HA LEU 63 - HB3 LEU 63 33.333% * 97.6888% (1.00 10.0 10.00 5.98 197.16) = 97.689% kept HB2 HIS 22 - HB3 LEU 63 33.333% * 2.2874% (0.68 1.0 1.00 0.69 0.39) = 2.287% kept HA2 GLY 101 - HB3 LEU 63 33.333% * 0.0238% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 652 (1.34, 0.88, 41.55 ppm): 11 chemical-shift based assignments, quality = 0.989, support = 6.14, residual support = 191.9: * O T HB2 LEU 63 - HB3 LEU 63 9.091% * 97.3224% (1.00 10.0 10.00 6.30 197.16) = 97.322% kept HG2 LYS+ 111 - HB3 LEU 63 9.091% * 2.0692% (0.77 1.0 1.00 0.55 0.12) = 2.069% kept HB3 ASP- 44 - HB3 LEU 63 9.091% * 0.0946% (0.97 1.0 1.00 0.02 0.02) = 0.095% HB3 LEU 80 - HB3 LEU 63 9.091% * 0.0946% (0.97 1.0 1.00 0.02 0.48) = 0.095% QB ALA 124 - HB3 LEU 63 9.091% * 0.0832% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB2 LEU 31 - HB3 LEU 63 9.091% * 0.0832% (0.85 1.0 1.00 0.02 0.02) = 0.083% HG LEU 98 - HB3 LEU 63 9.091% * 0.0707% (0.73 1.0 1.00 0.02 0.02) = 0.071% QB ALA 84 - HB3 LEU 63 9.091% * 0.0567% (0.58 1.0 1.00 0.02 0.11) = 0.057% HB3 PRO 93 - HB3 LEU 63 9.091% * 0.0520% (0.53 1.0 1.00 0.02 0.32) = 0.052% HG2 LYS+ 99 - HB3 LEU 63 9.091% * 0.0429% (0.44 1.0 1.00 0.02 0.02) = 0.043% HG2 LYS+ 38 - HB3 LEU 63 9.091% * 0.0307% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 653 (0.88, 0.88, 41.55 ppm): 1 diagonal assignment: * HB3 LEU 63 - HB3 LEU 63 (1.00) kept Peak 654 (1.06, 0.88, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.988, support = 5.83, residual support = 190.4: * O T HG LEU 63 - HB3 LEU 63 33.333% * 96.5485% (1.00 10.0 10.00 6.00 197.16) = 96.549% kept HG3 LYS+ 112 - HB3 LEU 63 33.333% * 3.3597% (0.68 1.0 1.00 1.03 0.23) = 3.360% kept QG2 VAL 24 - HB3 LEU 63 33.333% * 0.0917% (0.95 1.0 1.00 0.02 1.71) = 0.092% Peak 655 (0.58, 0.88, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.897, support = 4.48, residual support = 119.1: T QD1 LEU 73 - HB3 LEU 63 16.667% * 40.8715% (1.00 1.0 10.00 2.63 7.26) = 40.872% kept * O T QD1 LEU 63 - HB3 LEU 63 16.667% * 40.8715% (1.00 10.0 10.00 5.74 197.16) = 40.872% kept O T QD2 LEU 63 - HB3 LEU 63 16.667% * 18.0155% (0.44 10.0 10.00 5.86 197.16) = 18.016% kept T QD1 LEU 104 - HB3 LEU 63 16.667% * 0.1802% (0.44 1.0 10.00 0.02 0.02) = 0.180% QD2 LEU 115 - HB3 LEU 63 16.667% * 0.0315% (0.77 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 80 - HB3 LEU 63 16.667% * 0.0297% (0.73 1.0 1.00 0.02 0.48) = 0.030% Peak 656 (0.57, 0.88, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.738, support = 5.07, residual support = 152.6: * O T QD2 LEU 63 - HB3 LEU 63 16.667% * 53.1177% (1.00 10.0 10.00 5.86 197.16) = 53.118% kept T QD1 LEU 73 - HB3 LEU 63 16.667% * 23.4134% (0.44 1.0 10.00 2.63 7.26) = 23.413% kept O T QD1 LEU 63 - HB3 LEU 63 16.667% * 23.4134% (0.44 10.0 10.00 5.74 197.16) = 23.413% kept QG2 VAL 41 - HB3 LEU 63 16.667% * 0.0259% (0.49 1.0 1.00 0.02 0.02) = 0.026% QD2 LEU 98 - HB3 LEU 63 16.667% * 0.0148% (0.28 1.0 1.00 0.02 0.02) = 0.015% QD1 LEU 80 - HB3 LEU 63 16.667% * 0.0148% (0.28 1.0 1.00 0.02 0.48) = 0.015% Peak 657 (3.50, 1.06, 26.21 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 5.71, residual support = 192.5: * O T HA LEU 63 - HG LEU 63 33.333% * 97.6447% (1.00 10.0 10.00 5.83 197.16) = 97.645% kept HB2 HIS 22 - HG LEU 63 33.333% * 2.3315% (0.68 1.0 1.00 0.70 0.39) = 2.331% kept HA2 GLY 101 - HG LEU 63 33.333% * 0.0238% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 658 (1.34, 1.06, 26.21 ppm): 11 chemical-shift based assignments, quality = 0.99, support = 6.16, residual support = 192.4: * O T HB2 LEU 63 - HG LEU 63 9.091% * 97.5947% (1.00 10.0 10.00 6.30 197.16) = 97.595% kept HG2 LYS+ 111 - HG LEU 63 9.091% * 1.7952% (0.77 1.0 1.00 0.48 0.12) = 1.795% kept HB3 ASP- 44 - HG LEU 63 9.091% * 0.0948% (0.97 1.0 1.00 0.02 0.02) = 0.095% HB3 LEU 80 - HG LEU 63 9.091% * 0.0948% (0.97 1.0 1.00 0.02 0.48) = 0.095% QB ALA 124 - HG LEU 63 9.091% * 0.0834% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB2 LEU 31 - HG LEU 63 9.091% * 0.0834% (0.85 1.0 1.00 0.02 0.02) = 0.083% HG LEU 98 - HG LEU 63 9.091% * 0.0709% (0.73 1.0 1.00 0.02 0.02) = 0.071% QB ALA 84 - HG LEU 63 9.091% * 0.0568% (0.58 1.0 1.00 0.02 0.11) = 0.057% HB3 PRO 93 - HG LEU 63 9.091% * 0.0521% (0.53 1.0 1.00 0.02 0.32) = 0.052% HG2 LYS+ 99 - HG LEU 63 9.091% * 0.0430% (0.44 1.0 1.00 0.02 0.02) = 0.043% HG2 LYS+ 38 - HG LEU 63 9.091% * 0.0307% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 659 (0.88, 1.06, 26.21 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 5.89, residual support = 193.0: * O T HB3 LEU 63 - HG LEU 63 16.667% * 97.8975% (1.00 10.0 10.00 6.00 197.16) = 97.898% kept QG1 VAL 108 - HG LEU 63 16.667% * 1.9607% (0.53 1.0 1.00 0.75 0.02) = 1.961% kept QG1 VAL 18 - HG LEU 63 16.667% * 0.0570% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG1 VAL 70 - HG LEU 63 16.667% * 0.0432% (0.44 1.0 1.00 0.02 0.02) = 0.043% QD1 LEU 123 - HG LEU 63 16.667% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - HG LEU 63 16.667% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 660 (1.06, 1.06, 26.21 ppm): 1 diagonal assignment: * HG LEU 63 - HG LEU 63 (1.00) kept Peak 661 (0.58, 1.06, 26.21 ppm): 6 chemical-shift based assignments, quality = 0.873, support = 4.22, residual support = 144.4: * O T QD1 LEU 63 - HG LEU 63 16.667% * 50.1490% (1.00 10.0 10.00 5.44 197.16) = 50.149% kept T QD1 LEU 73 - HG LEU 63 16.667% * 27.4500% (1.00 1.0 10.00 1.09 7.26) = 27.450% kept O T QD2 LEU 63 - HG LEU 63 16.667% * 22.1049% (0.44 10.0 10.00 5.40 197.16) = 22.105% kept T QD1 LEU 104 - HG LEU 63 16.667% * 0.2210% (0.44 1.0 10.00 0.02 0.02) = 0.221% QD2 LEU 115 - HG LEU 63 16.667% * 0.0387% (0.77 1.0 1.00 0.02 0.02) = 0.039% QD2 LEU 80 - HG LEU 63 16.667% * 0.0364% (0.73 1.0 1.00 0.02 0.48) = 0.036% Peak 662 (0.57, 1.06, 26.21 ppm): 6 chemical-shift based assignments, quality = 0.773, support = 4.79, residual support = 169.8: * O T QD2 LEU 63 - HG LEU 63 16.667% * 59.4142% (1.00 10.0 10.00 5.40 197.16) = 59.414% kept O T QD1 LEU 63 - HG LEU 63 16.667% * 26.1888% (0.44 10.0 10.00 5.44 197.16) = 26.189% kept T QD1 LEU 73 - HG LEU 63 16.667% * 14.3350% (0.44 1.0 10.00 1.09 7.26) = 14.335% kept QG2 VAL 41 - HG LEU 63 16.667% * 0.0289% (0.49 1.0 1.00 0.02 0.02) = 0.029% QD2 LEU 98 - HG LEU 63 16.667% * 0.0165% (0.28 1.0 1.00 0.02 0.02) = 0.017% QD1 LEU 80 - HG LEU 63 16.667% * 0.0165% (0.28 1.0 1.00 0.02 0.48) = 0.017% Peak 663 (3.50, 0.58, 26.34 ppm): 9 chemical-shift based assignments, quality = 0.978, support = 4.42, residual support = 153.5: * T HA LEU 63 - QD1 LEU 63 11.111% * 77.2015% (1.00 10.00 5.55 197.16) = 77.201% kept T HA LEU 63 - QD1 LEU 73 11.111% * 18.1868% (1.00 10.00 0.47 7.26) = 18.187% kept HB2 HIS 22 - QD1 LEU 63 11.111% * 3.5457% (0.68 1.00 1.35 0.39) = 3.546% kept HB2 HIS 22 - QD1 LEU 73 11.111% * 0.8676% (0.68 1.00 0.33 0.02) = 0.868% T HA LEU 63 - QD1 LEU 104 11.111% * 0.1471% (0.19 10.00 0.02 0.02) = 0.147% HA2 GLY 101 - QD1 LEU 73 11.111% * 0.0188% (0.24 1.00 0.02 0.02) = 0.019% HA2 GLY 101 - QD1 LEU 63 11.111% * 0.0188% (0.24 1.00 0.02 0.02) = 0.019% HB2 HIS 22 - QD1 LEU 104 11.111% * 0.0100% (0.13 1.00 0.02 0.02) = 0.010% HA2 GLY 101 - QD1 LEU 104 11.111% * 0.0036% (0.05 1.00 0.02 0.02) = 0.004% Peak 664 (1.34, 0.58, 26.34 ppm): 33 chemical-shift based assignments, quality = 0.982, support = 3.29, residual support = 84.4: * O T HB2 LEU 63 - QD1 LEU 63 3.030% * 41.3176% (1.00 10.0 10.00 5.94 197.16) = 41.318% kept T HB2 LEU 63 - QD1 LEU 73 3.030% * 39.5001% (1.00 1.0 10.00 1.91 7.26) = 39.500% kept T HB3 LEU 80 - QD1 LEU 63 3.030% * 10.3302% (0.97 1.0 10.00 0.51 0.48) = 10.330% kept T HB3 LEU 80 - QD1 LEU 73 3.030% * 7.5842% (0.97 1.0 10.00 0.38 0.02) = 7.584% kept HG LEU 98 - QD1 LEU 63 3.030% * 0.5950% (0.73 1.0 1.00 0.40 0.02) = 0.595% T HB2 LEU 63 - QD1 LEU 104 3.030% * 0.0787% (0.19 1.0 10.00 0.02 0.02) = 0.079% T HB3 LEU 80 - QD1 LEU 104 3.030% * 0.0765% (0.19 1.0 10.00 0.02 0.02) = 0.077% HB3 ASP- 44 - QD1 LEU 73 3.030% * 0.0401% (0.97 1.0 1.00 0.02 2.50) = 0.040% HB3 ASP- 44 - QD1 LEU 63 3.030% * 0.0401% (0.97 1.0 1.00 0.02 0.02) = 0.040% QB ALA 124 - QD1 LEU 73 3.030% * 0.0353% (0.85 1.0 1.00 0.02 0.02) = 0.035% QB ALA 124 - QD1 LEU 63 3.030% * 0.0353% (0.85 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 31 - QD1 LEU 63 3.030% * 0.0353% (0.85 1.0 1.00 0.02 0.02) = 0.035% HB2 LEU 31 - QD1 LEU 73 3.030% * 0.0353% (0.85 1.0 1.00 0.02 0.74) = 0.035% HG2 LYS+ 111 - QD1 LEU 63 3.030% * 0.0319% (0.77 1.0 1.00 0.02 0.12) = 0.032% HG2 LYS+ 111 - QD1 LEU 73 3.030% * 0.0319% (0.77 1.0 1.00 0.02 0.13) = 0.032% HG LEU 98 - QD1 LEU 73 3.030% * 0.0300% (0.73 1.0 1.00 0.02 0.02) = 0.030% QB ALA 84 - QD1 LEU 73 3.030% * 0.0241% (0.58 1.0 1.00 0.02 0.02) = 0.024% QB ALA 84 - QD1 LEU 63 3.030% * 0.0241% (0.58 1.0 1.00 0.02 0.11) = 0.024% HB3 PRO 93 - QD1 LEU 73 3.030% * 0.0221% (0.53 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - QD1 LEU 63 3.030% * 0.0221% (0.53 1.0 1.00 0.02 0.32) = 0.022% HG2 LYS+ 99 - QD1 LEU 73 3.030% * 0.0182% (0.44 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 99 - QD1 LEU 63 3.030% * 0.0182% (0.44 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 38 - QD1 LEU 73 3.030% * 0.0130% (0.31 1.0 1.00 0.02 0.02) = 0.013% HG2 LYS+ 38 - QD1 LEU 63 3.030% * 0.0130% (0.31 1.0 1.00 0.02 0.02) = 0.013% HB3 ASP- 44 - QD1 LEU 104 3.030% * 0.0077% (0.19 1.0 1.00 0.02 0.02) = 0.008% QB ALA 124 - QD1 LEU 104 3.030% * 0.0067% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 31 - QD1 LEU 104 3.030% * 0.0067% (0.16 1.0 1.00 0.02 0.37) = 0.007% HG2 LYS+ 111 - QD1 LEU 104 3.030% * 0.0061% (0.15 1.0 1.00 0.02 0.02) = 0.006% HG LEU 98 - QD1 LEU 104 3.030% * 0.0057% (0.14 1.0 1.00 0.02 10.38) = 0.006% QB ALA 84 - QD1 LEU 104 3.030% * 0.0046% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 93 - QD1 LEU 104 3.030% * 0.0042% (0.10 1.0 1.00 0.02 0.02) = 0.004% HG2 LYS+ 99 - QD1 LEU 104 3.030% * 0.0035% (0.08 1.0 1.00 0.02 9.59) = 0.003% HG2 LYS+ 38 - QD1 LEU 104 3.030% * 0.0025% (0.06 1.0 1.00 0.02 0.02) = 0.002% Peak 665 (0.88, 0.58, 26.34 ppm): 18 chemical-shift based assignments, quality = 0.985, support = 4.11, residual support = 99.5: * O T HB3 LEU 63 - QD1 LEU 63 5.556% * 48.6608% (1.00 10.0 10.00 5.74 197.16) = 48.661% kept T HB3 LEU 63 - QD1 LEU 73 5.556% * 48.6608% (1.00 1.0 10.00 2.63 7.26) = 48.661% kept QG1 VAL 108 - QD1 LEU 73 5.556% * 2.1459% (0.53 1.0 1.00 1.65 1.30) = 2.146% kept QG1 VAL 108 - QD1 LEU 63 5.556% * 0.2689% (0.53 1.0 1.00 0.21 0.02) = 0.269% T HB3 LEU 63 - QD1 LEU 104 5.556% * 0.0927% (0.19 1.0 10.00 0.02 0.02) = 0.093% QG1 VAL 18 - QD1 LEU 73 5.556% * 0.0283% (0.58 1.0 1.00 0.02 0.10) = 0.028% QG1 VAL 18 - QD1 LEU 63 5.556% * 0.0283% (0.58 1.0 1.00 0.02 0.02) = 0.028% QG1 VAL 70 - QD1 LEU 73 5.556% * 0.0214% (0.44 1.0 1.00 0.02 2.48) = 0.021% QG1 VAL 70 - QD1 LEU 63 5.556% * 0.0214% (0.44 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - QD1 LEU 104 5.556% * 0.0135% (0.04 1.0 1.00 0.14 0.02) = 0.014% QD1 LEU 123 - QD1 LEU 73 5.556% * 0.0103% (0.21 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 123 - QD1 LEU 63 5.556% * 0.0103% (0.21 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 71 - QD1 LEU 73 5.556% * 0.0103% (0.21 1.0 1.00 0.02 3.20) = 0.010% QD1 LEU 71 - QD1 LEU 63 5.556% * 0.0103% (0.21 1.0 1.00 0.02 0.02) = 0.010% QG1 VAL 18 - QD1 LEU 104 5.556% * 0.0054% (0.11 1.0 1.00 0.02 0.02) = 0.005% QG1 VAL 108 - QD1 LEU 104 5.556% * 0.0050% (0.10 1.0 1.00 0.02 0.02) = 0.005% QG1 VAL 70 - QD1 LEU 104 5.556% * 0.0041% (0.08 1.0 1.00 0.02 0.02) = 0.004% QD1 LEU 123 - QD1 LEU 104 5.556% * 0.0020% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 666 (1.06, 0.58, 26.34 ppm): 9 chemical-shift based assignments, quality = 0.992, support = 3.71, residual support = 121.8: * O T HG LEU 63 - QD1 LEU 63 11.111% * 60.5054% (1.00 10.0 10.00 5.44 197.16) = 60.505% kept T HG LEU 63 - QD1 LEU 73 11.111% * 33.1188% (1.00 1.0 10.00 1.09 7.26) = 33.119% kept QG2 VAL 24 - QD1 LEU 63 11.111% * 2.8857% (0.95 1.0 1.00 1.00 1.71) = 2.886% kept QG2 VAL 24 - QD1 LEU 73 11.111% * 2.0028% (0.95 1.0 1.00 0.70 0.42) = 2.003% kept HG3 LYS+ 112 - QD1 LEU 63 11.111% * 1.3121% (0.68 1.0 1.00 0.64 0.23) = 1.312% kept T HG LEU 63 - QD1 LEU 104 11.111% * 0.1153% (0.19 1.0 10.00 0.02 0.02) = 0.115% HG3 LYS+ 112 - QD1 LEU 73 11.111% * 0.0411% (0.68 1.0 1.00 0.02 2.51) = 0.041% QG2 VAL 24 - QD1 LEU 104 11.111% * 0.0110% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 112 - QD1 LEU 104 11.111% * 0.0078% (0.13 1.0 1.00 0.02 0.02) = 0.008% Peak 667 (0.58, 0.58, 26.34 ppm): 3 diagonal assignments: QD1 LEU 73 - QD1 LEU 73 (1.00) kept * QD1 LEU 63 - QD1 LEU 63 (1.00) kept QD1 LEU 104 - QD1 LEU 104 (0.08) kept Peak 668 (0.57, 0.58, 26.34 ppm): 2 diagonal assignments: QD1 LEU 73 - QD1 LEU 73 (0.44) kept QD1 LEU 63 - QD1 LEU 63 (0.44) kept Reference assignment not found: QD2 LEU 63 - QD1 LEU 63 Peak 669 (3.50, 0.57, 23.00 ppm): 3 chemical-shift based assignments, quality = 0.984, support = 5.47, residual support = 187.6: * T HA LEU 63 - QD2 LEU 63 33.333% * 95.1201% (1.00 10.00 5.67 197.16) = 95.120% kept HB2 HIS 22 - QD2 LEU 63 33.333% * 4.8567% (0.68 1.00 1.50 0.39) = 4.857% kept HA2 GLY 101 - QD2 LEU 63 33.333% * 0.0232% (0.24 1.00 0.02 0.02) = 0.023% Peak 670 (1.34, 0.57, 23.00 ppm): 11 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 160.2: * O T HB2 LEU 63 - QD2 LEU 63 9.091% * 81.1912% (1.00 10.0 10.00 6.05 197.16) = 81.191% kept T HB3 LEU 80 - QD2 LEU 63 9.091% * 17.2488% (0.97 1.0 10.00 0.44 0.48) = 17.249% kept HG LEU 98 - QD2 LEU 63 9.091% * 0.8935% (0.73 1.0 1.00 0.30 0.02) = 0.893% HB3 ASP- 44 - QD2 LEU 63 9.091% * 0.3130% (0.97 1.0 1.00 0.08 0.02) = 0.313% QB ALA 124 - QD2 LEU 63 9.091% * 0.0694% (0.85 1.0 1.00 0.02 0.02) = 0.069% HB2 LEU 31 - QD2 LEU 63 9.091% * 0.0694% (0.85 1.0 1.00 0.02 0.02) = 0.069% HG2 LYS+ 111 - QD2 LEU 63 9.091% * 0.0627% (0.77 1.0 1.00 0.02 0.12) = 0.063% QB ALA 84 - QD2 LEU 63 9.091% * 0.0473% (0.58 1.0 1.00 0.02 0.11) = 0.047% HB3 PRO 93 - QD2 LEU 63 9.091% * 0.0434% (0.53 1.0 1.00 0.02 0.32) = 0.043% HG2 LYS+ 99 - QD2 LEU 63 9.091% * 0.0358% (0.44 1.0 1.00 0.02 0.02) = 0.036% HG2 LYS+ 38 - QD2 LEU 63 9.091% * 0.0256% (0.31 1.0 1.00 0.02 0.02) = 0.026% Peak 671 (0.88, 0.57, 23.00 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 196.8: * O T HB3 LEU 63 - QD2 LEU 63 16.667% * 99.8022% (1.00 10.0 10.00 5.86 197.16) = 99.802% kept QG1 VAL 18 - QD2 LEU 63 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% QG1 VAL 108 - QD2 LEU 63 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% QG1 VAL 70 - QD2 LEU 63 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD1 LEU 123 - QD2 LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - QD2 LEU 63 16.667% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 672 (1.06, 0.57, 23.00 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 5.17, residual support = 187.8: * O T HG LEU 63 - QD2 LEU 63 33.333% * 95.2171% (1.00 10.0 10.00 5.40 197.16) = 95.217% kept QG2 VAL 24 - QD2 LEU 63 33.333% * 2.6938% (0.95 1.0 1.00 0.60 1.71) = 2.694% kept HG3 LYS+ 112 - QD2 LEU 63 33.333% * 2.0891% (0.68 1.0 1.00 0.65 0.23) = 2.089% kept Peak 673 (0.58, 0.57, 23.00 ppm): 1 diagonal assignment: QD2 LEU 63 - QD2 LEU 63 (0.44) kept Reference assignment not found: QD1 LEU 63 - QD2 LEU 63 Peak 674 (0.57, 0.57, 23.00 ppm): 1 diagonal assignment: * QD2 LEU 63 - QD2 LEU 63 (1.00) kept Peak 675 (2.84, 2.84, 53.98 ppm): 1 diagonal assignment: * HA ALA 64 - HA ALA 64 (1.00) kept Peak 676 (0.40, 2.84, 53.98 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 19.8: * O T QB ALA 64 - HA ALA 64 100.000% *100.0000% (1.00 10.0 10.00 2.00 19.79) = 100.000% kept Peak 677 (2.84, 0.40, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.852, support = 2.23, residual support = 24.3: * O T HA ALA 64 - QB ALA 64 33.333% * 80.3836% (1.00 10.0 10.00 2.00 19.79) = 80.384% kept T HB2 PHE 72 - QB ALA 64 33.333% * 19.6016% (0.24 1.0 10.00 3.20 43.05) = 19.602% kept HB3 ASN 35 - QB ALA 64 33.333% * 0.0148% (0.18 1.0 1.00 0.02 0.02) = 0.015% Peak 678 (0.40, 0.40, 18.57 ppm): 1 diagonal assignment: * QB ALA 64 - QB ALA 64 (1.00) kept Peak 679 (3.96, 3.96, 58.29 ppm): 2 diagonal assignments: * HA LYS+ 65 - HA LYS+ 65 (0.79) kept HA LYS+ 121 - HA LYS+ 121 (0.04) kept Peak 680 (1.80, 3.96, 58.29 ppm): 14 chemical-shift based assignments, quality = 0.836, support = 6.01, residual support = 100.9: * O T QB LYS+ 65 - HA LYS+ 65 7.143% * 89.3628% (0.89 10.0 10.00 6.15 109.67) = 89.363% kept QB LYS+ 66 - HA LYS+ 65 7.143% * 10.0017% (0.39 1.0 1.00 5.08 29.03) = 10.002% kept HG2 PRO 93 - HA LYS+ 65 7.143% * 0.2812% (0.69 1.0 1.00 0.08 1.10) = 0.281% HB2 LEU 71 - HA LYS+ 65 7.143% * 0.0891% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 102 - HA LYS+ 65 7.143% * 0.0868% (0.87 1.0 1.00 0.02 0.02) = 0.087% T QB LYS+ 65 - HA LYS+ 121 7.143% * 0.0813% (0.08 1.0 10.00 0.02 0.02) = 0.081% HB3 GLN 17 - HA LYS+ 65 7.143% * 0.0435% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB VAL 41 - HA LYS+ 65 7.143% * 0.0218% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB2 LEU 71 - HA LYS+ 121 7.143% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% QB LYS+ 102 - HA LYS+ 121 7.143% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 93 - HA LYS+ 121 7.143% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - HA LYS+ 121 7.143% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB LYS+ 66 - HA LYS+ 121 7.143% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB VAL 41 - HA LYS+ 121 7.143% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 682 (1.50, 3.96, 58.29 ppm): 10 chemical-shift based assignments, quality = 0.722, support = 4.77, residual support = 87.8: * O T HG2 LYS+ 65 - HA LYS+ 65 10.000% * 57.6472% (0.89 10.0 10.00 4.67 109.67) = 57.647% kept T QD LYS+ 66 - HA LYS+ 65 10.000% * 36.3626% (0.56 1.0 10.00 4.66 29.03) = 36.363% kept T HD2 LYS+ 121 - HA LYS+ 121 10.000% * 5.1797% (0.08 1.0 10.00 7.46 270.40) = 5.180% kept T HD2 LYS+ 121 - HA LYS+ 65 10.000% * 0.5691% (0.88 1.0 10.00 0.02 0.02) = 0.569% QG2 THR 26 - HA LYS+ 65 10.000% * 0.0569% (0.88 1.0 1.00 0.02 0.35) = 0.057% T HG2 LYS+ 65 - HA LYS+ 121 10.000% * 0.0525% (0.08 1.0 10.00 0.02 0.02) = 0.052% QG2 THR 26 - HA LYS+ 121 10.000% * 0.0504% (0.08 1.0 1.00 0.19 0.02) = 0.050% HB2 LYS+ 74 - HA LYS+ 65 10.000% * 0.0445% (0.69 1.0 1.00 0.02 0.02) = 0.044% T QD LYS+ 66 - HA LYS+ 121 10.000% * 0.0331% (0.05 1.0 10.00 0.02 0.02) = 0.033% HB2 LYS+ 74 - HA LYS+ 121 10.000% * 0.0040% (0.06 1.0 1.00 0.02 0.15) = 0.004% Peak 683 (1.38, 3.96, 58.29 ppm): 22 chemical-shift based assignments, quality = 0.873, support = 3.86, residual support = 89.3: * O T HG3 LYS+ 65 - HA LYS+ 65 4.545% * 81.2532% (0.89 10.0 10.00 4.66 109.67) = 81.253% kept T HG3 LYS+ 33 - HA LYS+ 65 4.545% * 16.8952% (0.88 1.0 10.00 0.42 1.01) = 16.895% kept T HG3 LYS+ 102 - HA LYS+ 65 4.545% * 0.7895% (0.87 1.0 10.00 0.02 0.02) = 0.789% T HG3 LYS+ 106 - HA LYS+ 65 4.545% * 0.6621% (0.73 1.0 10.00 0.02 0.02) = 0.662% HB VAL 42 - HA LYS+ 65 4.545% * 0.0813% (0.89 1.0 1.00 0.02 0.02) = 0.081% HB3 LEU 73 - HA LYS+ 65 4.545% * 0.0802% (0.88 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 112 - HA LYS+ 65 4.545% * 0.0750% (0.82 1.0 1.00 0.02 0.02) = 0.075% QB ALA 12 - HA LYS+ 65 4.545% * 0.0513% (0.56 1.0 1.00 0.02 0.02) = 0.051% QB LEU 98 - HA LYS+ 65 4.545% * 0.0256% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 PRO 93 - HA LYS+ 65 4.545% * 0.0150% (0.16 1.0 1.00 0.02 1.10) = 0.015% QB ALA 84 - HA LYS+ 65 4.545% * 0.0129% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 65 - HA LYS+ 121 4.545% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB VAL 42 - HA LYS+ 121 4.545% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 73 - HA LYS+ 121 4.545% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 33 - HA LYS+ 121 4.545% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 102 - HA LYS+ 121 4.545% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 112 - HA LYS+ 121 4.545% * 0.0068% (0.07 1.0 1.00 0.02 0.72) = 0.007% HG3 LYS+ 106 - HA LYS+ 121 4.545% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% QB ALA 12 - HA LYS+ 121 4.545% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% QB LEU 98 - HA LYS+ 121 4.545% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 93 - HA LYS+ 121 4.545% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% QB ALA 84 - HA LYS+ 121 4.545% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 684 (1.66, 3.96, 58.29 ppm): 20 chemical-shift based assignments, quality = 0.733, support = 4.48, residual support = 106.7: * T QD LYS+ 65 - HA LYS+ 65 5.000% * 79.4124% (0.89 1.0 10.00 4.74 109.67) = 79.412% kept T HB2 LEU 123 - HA LYS+ 65 5.000% * 9.9261% (0.19 1.0 10.00 1.18 0.62) = 9.926% kept O T HB2 LYS+ 121 - HA LYS+ 121 5.000% * 7.2041% (0.08 10.0 10.00 8.12 270.40) = 7.204% kept T HB2 LEU 123 - HA LYS+ 121 5.000% * 1.1637% (0.02 1.0 10.00 1.52 1.71) = 1.164% kept T HB2 LYS+ 121 - HA LYS+ 65 5.000% * 0.7916% (0.89 1.0 10.00 0.02 0.02) = 0.792% T QD LYS+ 38 - HA LYS+ 65 5.000% * 0.7077% (0.79 1.0 10.00 0.02 0.02) = 0.708% T QD LYS+ 102 - HA LYS+ 65 5.000% * 0.3500% (0.39 1.0 10.00 0.02 0.02) = 0.350% T HD3 LYS+ 111 - HA LYS+ 65 5.000% * 0.1075% (0.12 1.0 10.00 0.02 0.02) = 0.107% HB VAL 83 - HA LYS+ 65 5.000% * 0.0784% (0.88 1.0 1.00 0.02 0.02) = 0.078% T QD LYS+ 65 - HA LYS+ 121 5.000% * 0.0723% (0.08 1.0 10.00 0.02 0.02) = 0.072% T QD LYS+ 38 - HA LYS+ 121 5.000% * 0.0644% (0.07 1.0 10.00 0.02 0.02) = 0.064% HD2 LYS+ 74 - HA LYS+ 65 5.000% * 0.0350% (0.39 1.0 1.00 0.02 0.02) = 0.035% T QD LYS+ 102 - HA LYS+ 121 5.000% * 0.0319% (0.04 1.0 10.00 0.02 0.02) = 0.032% HG3 PRO 93 - HA LYS+ 65 5.000% * 0.0194% (0.22 1.0 1.00 0.02 1.10) = 0.019% QB ALA 57 - HA LYS+ 65 5.000% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% T HD3 LYS+ 111 - HA LYS+ 121 5.000% * 0.0098% (0.01 1.0 10.00 0.02 0.28) = 0.010% HB VAL 83 - HA LYS+ 121 5.000% * 0.0071% (0.08 1.0 1.00 0.02 0.02) = 0.007% HD2 LYS+ 74 - HA LYS+ 121 5.000% * 0.0032% (0.04 1.0 1.00 0.02 0.15) = 0.003% HG3 PRO 93 - HA LYS+ 121 5.000% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 57 - HA LYS+ 121 5.000% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 685 (2.93, 3.96, 58.29 ppm): 12 chemical-shift based assignments, quality = 0.858, support = 4.11, residual support = 90.7: * T QE LYS+ 65 - HA LYS+ 65 8.333% * 82.5591% (0.89 10.00 4.89 109.67) = 82.559% kept T QE LYS+ 33 - HA LYS+ 65 8.333% * 16.0022% (0.76 10.00 0.45 1.01) = 16.002% kept T HB2 ASN 28 - HA LYS+ 65 8.333% * 0.7844% (0.85 10.00 0.02 0.02) = 0.784% T HB2 ASN 35 - HA LYS+ 65 8.333% * 0.4019% (0.43 10.00 0.02 0.02) = 0.402% T QE LYS+ 65 - HA LYS+ 121 8.333% * 0.0751% (0.08 10.00 0.02 0.02) = 0.075% HB2 ASP- 86 - HA LYS+ 65 8.333% * 0.0736% (0.79 1.00 0.02 0.02) = 0.074% T QE LYS+ 33 - HA LYS+ 121 8.333% * 0.0642% (0.07 10.00 0.02 0.02) = 0.064% HB2 ASP- 78 - HA LYS+ 65 8.333% * 0.0201% (0.22 1.00 0.02 0.02) = 0.020% HB2 ASN 28 - HA LYS+ 121 8.333% * 0.0071% (0.08 1.00 0.02 0.02) = 0.007% HB2 ASP- 86 - HA LYS+ 121 8.333% * 0.0067% (0.07 1.00 0.02 0.02) = 0.007% HB2 ASN 35 - HA LYS+ 121 8.333% * 0.0037% (0.04 1.00 0.02 0.02) = 0.004% HB2 ASP- 78 - HA LYS+ 121 8.333% * 0.0018% (0.02 1.00 0.02 0.02) = 0.002% Peak 686 (3.96, 1.80, 33.13 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 6.09, residual support = 108.6: * O T HA LYS+ 65 - QB LYS+ 65 10.000% * 98.9841% (0.89 10.0 10.00 6.15 109.67) = 98.984% kept T HA LYS+ 121 - QB LYS+ 65 10.000% * 0.4896% (0.44 1.0 10.00 0.02 0.02) = 0.490% HA2 GLY 16 - QB LYS+ 65 10.000% * 0.1055% (0.95 1.0 1.00 0.02 0.02) = 0.106% QB SER 85 - QB LYS+ 65 10.000% * 0.1055% (0.95 1.0 1.00 0.02 0.02) = 0.106% HA ALA 120 - QB LYS+ 65 10.000% * 0.1025% (0.92 1.0 1.00 0.02 0.02) = 0.103% QB SER 48 - QB LYS+ 65 10.000% * 0.0754% (0.68 1.0 1.00 0.02 0.02) = 0.075% HB THR 94 - QB LYS+ 65 10.000% * 0.0593% (0.53 1.0 1.00 0.02 0.02) = 0.059% HA2 GLY 51 - QB LYS+ 65 10.000% * 0.0394% (0.35 1.0 1.00 0.02 0.02) = 0.039% HD2 PRO 52 - QB LYS+ 65 10.000% * 0.0236% (0.21 1.0 1.00 0.02 0.02) = 0.024% QB SER 117 - QB LYS+ 65 10.000% * 0.0150% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 687 (1.80, 1.80, 33.13 ppm): 1 diagonal assignment: * QB LYS+ 65 - QB LYS+ 65 (1.00) kept Peak 689 (1.50, 1.80, 33.13 ppm): 5 chemical-shift based assignments, quality = 0.854, support = 4.79, residual support = 76.9: * O T HG2 LYS+ 65 - QB LYS+ 65 20.000% * 60.0712% (1.00 10.0 10.00 4.95 109.67) = 60.071% kept T QD LYS+ 66 - QB LYS+ 65 20.000% * 37.8917% (0.63 1.0 10.00 4.78 29.03) = 37.892% kept QG2 THR 26 - QB LYS+ 65 20.000% * 1.3977% (0.99 1.0 1.00 0.47 0.35) = 1.398% kept T HD2 LYS+ 121 - QB LYS+ 65 20.000% * 0.5931% (0.99 1.0 10.00 0.02 0.02) = 0.593% HB2 LYS+ 74 - QB LYS+ 65 20.000% * 0.0464% (0.77 1.0 1.00 0.02 0.02) = 0.046% Peak 691 (1.66, 1.80, 33.13 ppm): 10 chemical-shift based assignments, quality = 0.922, support = 4.6, residual support = 99.0: * O T QD LYS+ 65 - QB LYS+ 65 10.000% * 90.1784% (1.00 10.0 10.00 5.03 109.67) = 90.178% kept T HG3 PRO 93 - QB LYS+ 65 10.000% * 8.2463% (0.24 1.0 10.00 0.75 1.10) = 8.246% kept T QD LYS+ 38 - QB LYS+ 65 10.000% * 0.8037% (0.89 1.0 10.00 0.02 0.02) = 0.804% T QD LYS+ 102 - QB LYS+ 65 10.000% * 0.3975% (0.44 1.0 10.00 0.02 0.02) = 0.397% T HD3 LYS+ 111 - QB LYS+ 65 10.000% * 0.1220% (0.14 1.0 10.00 0.02 0.02) = 0.122% HB2 LYS+ 121 - QB LYS+ 65 10.000% * 0.0899% (1.00 1.0 1.00 0.02 0.02) = 0.090% HB VAL 83 - QB LYS+ 65 10.000% * 0.0890% (0.99 1.0 1.00 0.02 0.02) = 0.089% HD2 LYS+ 74 - QB LYS+ 65 10.000% * 0.0397% (0.44 1.0 1.00 0.02 0.02) = 0.040% HB2 LEU 123 - QB LYS+ 65 10.000% * 0.0192% (0.21 1.0 1.00 0.02 0.62) = 0.019% QB ALA 57 - QB LYS+ 65 10.000% * 0.0143% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 692 (2.93, 1.80, 33.13 ppm): 6 chemical-shift based assignments, quality = 0.972, support = 4.33, residual support = 89.8: * T QE LYS+ 65 - QB LYS+ 65 16.667% * 81.7476% (1.00 10.00 5.19 109.67) = 81.748% kept T QE LYS+ 33 - QB LYS+ 65 16.667% * 18.0422% (0.85 10.00 0.52 1.01) = 18.042% kept HB2 ASN 28 - QB LYS+ 65 16.667% * 0.0777% (0.95 1.00 0.02 0.02) = 0.078% HB2 ASP- 86 - QB LYS+ 65 16.667% * 0.0729% (0.89 1.00 0.02 0.02) = 0.073% HB2 ASN 35 - QB LYS+ 65 16.667% * 0.0398% (0.49 1.00 0.02 0.02) = 0.040% HB2 ASP- 78 - QB LYS+ 65 16.667% * 0.0199% (0.24 1.00 0.02 0.02) = 0.020% Peak 700 (3.96, 1.50, 25.13 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 4.62, residual support = 108.6: * O T HA LYS+ 65 - HG2 LYS+ 65 10.000% * 98.9841% (0.89 10.0 10.00 4.67 109.67) = 98.984% kept T HA LYS+ 121 - HG2 LYS+ 65 10.000% * 0.4896% (0.44 1.0 10.00 0.02 0.02) = 0.490% HA2 GLY 16 - HG2 LYS+ 65 10.000% * 0.1055% (0.95 1.0 1.00 0.02 0.02) = 0.106% QB SER 85 - HG2 LYS+ 65 10.000% * 0.1055% (0.95 1.0 1.00 0.02 0.02) = 0.106% HA ALA 120 - HG2 LYS+ 65 10.000% * 0.1025% (0.92 1.0 1.00 0.02 0.02) = 0.103% QB SER 48 - HG2 LYS+ 65 10.000% * 0.0754% (0.68 1.0 1.00 0.02 0.02) = 0.075% HB THR 94 - HG2 LYS+ 65 10.000% * 0.0593% (0.53 1.0 1.00 0.02 0.02) = 0.059% HA2 GLY 51 - HG2 LYS+ 65 10.000% * 0.0394% (0.35 1.0 1.00 0.02 0.02) = 0.039% HD2 PRO 52 - HG2 LYS+ 65 10.000% * 0.0236% (0.21 1.0 1.00 0.02 0.02) = 0.024% QB SER 117 - HG2 LYS+ 65 10.000% * 0.0150% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 701 (1.80, 1.50, 25.13 ppm): 7 chemical-shift based assignments, quality = 0.826, support = 4.51, residual support = 84.7: * O T QB LYS+ 65 - HG2 LYS+ 65 14.286% * 69.1262% (1.00 10.0 10.00 4.95 109.67) = 69.126% kept T QB LYS+ 66 - HG2 LYS+ 65 14.286% * 30.4697% (0.44 1.0 10.00 3.56 29.03) = 30.470% kept HG2 PRO 93 - HG2 LYS+ 65 14.286% * 0.2175% (0.77 1.0 1.00 0.08 1.10) = 0.217% HB2 LEU 71 - HG2 LYS+ 65 14.286% * 0.0689% (1.00 1.0 1.00 0.02 0.02) = 0.069% QB LYS+ 102 - HG2 LYS+ 65 14.286% * 0.0672% (0.97 1.0 1.00 0.02 0.02) = 0.067% HB3 GLN 17 - HG2 LYS+ 65 14.286% * 0.0336% (0.49 1.0 1.00 0.02 0.02) = 0.034% HB VAL 41 - HG2 LYS+ 65 14.286% * 0.0169% (0.24 1.0 1.00 0.02 0.02) = 0.017% Peak 703 (1.50, 1.50, 25.13 ppm): 1 diagonal assignment: * HG2 LYS+ 65 - HG2 LYS+ 65 (1.00) kept Peak 705 (1.66, 1.50, 25.13 ppm): 10 chemical-shift based assignments, quality = 0.97, support = 3.85, residual support = 106.4: * O T QD LYS+ 65 - HG2 LYS+ 65 10.000% * 97.0261% (1.00 10.0 10.00 3.97 109.67) = 97.026% kept T HB2 LYS+ 121 - HG2 LYS+ 65 10.000% * 0.9672% (1.00 1.0 10.00 0.02 0.02) = 0.967% T QD LYS+ 38 - HG2 LYS+ 65 10.000% * 0.8647% (0.89 1.0 10.00 0.02 0.02) = 0.865% T QD LYS+ 102 - HG2 LYS+ 65 10.000% * 0.4277% (0.44 1.0 10.00 0.02 0.02) = 0.428% T HD2 LYS+ 74 - HG2 LYS+ 65 10.000% * 0.4277% (0.44 1.0 10.00 0.02 0.02) = 0.428% T HD3 LYS+ 111 - HG2 LYS+ 65 10.000% * 0.1313% (0.14 1.0 10.00 0.02 0.02) = 0.131% HB VAL 83 - HG2 LYS+ 65 10.000% * 0.0958% (0.99 1.0 1.00 0.02 0.02) = 0.096% HG3 PRO 93 - HG2 LYS+ 65 10.000% * 0.0237% (0.24 1.0 1.00 0.02 1.10) = 0.024% HB2 LEU 123 - HG2 LYS+ 65 10.000% * 0.0206% (0.21 1.0 1.00 0.02 0.62) = 0.021% QB ALA 57 - HG2 LYS+ 65 10.000% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 706 (2.93, 1.50, 25.13 ppm): 6 chemical-shift based assignments, quality = 0.959, support = 3.25, residual support = 81.6: * O T QE LYS+ 65 - HG2 LYS+ 65 16.667% * 74.1390% (1.00 10.0 10.00 4.11 109.67) = 74.139% kept T QE LYS+ 33 - HG2 LYS+ 65 16.667% * 25.4761% (0.85 1.0 10.00 0.80 1.01) = 25.476% kept HB2 ASN 28 - HG2 LYS+ 65 16.667% * 0.2646% (0.95 1.0 1.00 0.08 0.02) = 0.265% HB2 ASP- 86 - HG2 LYS+ 65 16.667% * 0.0661% (0.89 1.0 1.00 0.02 0.02) = 0.066% HB2 ASN 35 - HG2 LYS+ 65 16.667% * 0.0361% (0.49 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 78 - HG2 LYS+ 65 16.667% * 0.0181% (0.24 1.0 1.00 0.02 0.02) = 0.018% Peak 707 (3.96, 1.66, 29.54 ppm): 40 chemical-shift based assignments, quality = 0.87, support = 4.63, residual support = 107.0: * T HA LYS+ 65 - QD LYS+ 65 2.500% * 97.5845% (0.89 10.00 4.74 109.67) = 97.584% kept T HA LYS+ 121 - QD LYS+ 102 2.500% * 0.5054% (0.09 10.00 0.11 0.02) = 0.505% T HA LYS+ 121 - QD LYS+ 65 2.500% * 0.4827% (0.44 10.00 0.02 0.02) = 0.483% T HA LYS+ 65 - QD LYS+ 102 2.500% * 0.1920% (0.18 10.00 0.02 0.02) = 0.192% T HA LYS+ 65 - QD LYS+ 38 2.500% * 0.1721% (0.16 10.00 0.02 0.02) = 0.172% T HA LYS+ 65 - HD3 LYS+ 111 2.500% * 0.1311% (0.12 10.00 0.02 0.02) = 0.131% HA2 GLY 16 - QD LYS+ 65 2.500% * 0.1040% (0.95 1.00 0.02 0.02) = 0.104% QB SER 85 - QD LYS+ 65 2.500% * 0.1040% (0.95 1.00 0.02 0.02) = 0.104% HA ALA 120 - QD LYS+ 65 2.500% * 0.1011% (0.92 1.00 0.02 0.02) = 0.101% T HA LYS+ 121 - QD LYS+ 38 2.500% * 0.0851% (0.08 10.00 0.02 0.02) = 0.085% QB SER 48 - QD LYS+ 65 2.500% * 0.0743% (0.68 1.00 0.02 0.02) = 0.074% T HA LYS+ 121 - HD3 LYS+ 111 2.500% * 0.0649% (0.06 10.00 0.02 0.28) = 0.065% HB THR 94 - QD LYS+ 65 2.500% * 0.0585% (0.53 1.00 0.02 0.02) = 0.058% HA2 GLY 51 - QD LYS+ 65 2.500% * 0.0388% (0.35 1.00 0.02 0.02) = 0.039% HD2 PRO 52 - QD LYS+ 65 2.500% * 0.0233% (0.21 1.00 0.02 0.02) = 0.023% HA2 GLY 16 - QD LYS+ 102 2.500% * 0.0205% (0.19 1.00 0.02 0.02) = 0.020% QB SER 85 - QD LYS+ 102 2.500% * 0.0205% (0.19 1.00 0.02 0.02) = 0.020% HA ALA 120 - QD LYS+ 102 2.500% * 0.0199% (0.18 1.00 0.02 0.02) = 0.020% QB SER 85 - QD LYS+ 38 2.500% * 0.0183% (0.17 1.00 0.02 0.02) = 0.018% HA2 GLY 16 - QD LYS+ 38 2.500% * 0.0183% (0.17 1.00 0.02 0.02) = 0.018% HA ALA 120 - QD LYS+ 38 2.500% * 0.0178% (0.16 1.00 0.02 0.02) = 0.018% QB SER 117 - QD LYS+ 65 2.500% * 0.0148% (0.14 1.00 0.02 0.02) = 0.015% QB SER 48 - QD LYS+ 102 2.500% * 0.0146% (0.13 1.00 0.02 0.02) = 0.015% QB SER 85 - HD3 LYS+ 111 2.500% * 0.0140% (0.13 1.00 0.02 0.02) = 0.014% HA2 GLY 16 - HD3 LYS+ 111 2.500% * 0.0140% (0.13 1.00 0.02 0.02) = 0.014% HA ALA 120 - HD3 LYS+ 111 2.500% * 0.0136% (0.12 1.00 0.02 0.02) = 0.014% QB SER 48 - QD LYS+ 38 2.500% * 0.0131% (0.12 1.00 0.02 0.02) = 0.013% HB THR 94 - QD LYS+ 102 2.500% * 0.0115% (0.11 1.00 0.02 0.02) = 0.012% HB THR 94 - QD LYS+ 38 2.500% * 0.0103% (0.09 1.00 0.02 0.02) = 0.010% QB SER 48 - HD3 LYS+ 111 2.500% * 0.0100% (0.09 1.00 0.02 0.02) = 0.010% HB THR 94 - HD3 LYS+ 111 2.500% * 0.0079% (0.07 1.00 0.02 1.48) = 0.008% HA2 GLY 51 - QD LYS+ 102 2.500% * 0.0076% (0.07 1.00 0.02 0.02) = 0.008% HA2 GLY 51 - QD LYS+ 38 2.500% * 0.0068% (0.06 1.00 0.02 0.02) = 0.007% HA2 GLY 51 - HD3 LYS+ 111 2.500% * 0.0052% (0.05 1.00 0.02 0.02) = 0.005% HD2 PRO 52 - QD LYS+ 102 2.500% * 0.0046% (0.04 1.00 0.02 0.02) = 0.005% HD2 PRO 52 - QD LYS+ 38 2.500% * 0.0041% (0.04 1.00 0.02 0.02) = 0.004% HD2 PRO 52 - HD3 LYS+ 111 2.500% * 0.0031% (0.03 1.00 0.02 0.02) = 0.003% QB SER 117 - QD LYS+ 102 2.500% * 0.0029% (0.03 1.00 0.02 0.02) = 0.003% QB SER 117 - QD LYS+ 38 2.500% * 0.0026% (0.02 1.00 0.02 0.02) = 0.003% QB SER 117 - HD3 LYS+ 111 2.500% * 0.0020% (0.02 1.00 0.02 0.02) = 0.002% Peak 708 (1.80, 1.66, 29.54 ppm): 28 chemical-shift based assignments, quality = 0.804, support = 4.66, residual support = 101.2: * O T QB LYS+ 65 - QD LYS+ 65 3.571% * 74.1984% (1.00 10.0 10.00 5.03 109.67) = 74.198% kept O T QB LYS+ 102 - QD LYS+ 102 3.571% * 14.1865% (0.19 10.0 10.00 4.71 126.90) = 14.187% kept QB LYS+ 66 - QD LYS+ 65 3.571% * 6.3463% (0.44 1.0 1.00 3.88 29.03) = 6.346% kept T QB LYS+ 102 - QD LYS+ 38 3.571% * 2.0487% (0.17 1.0 10.00 0.32 0.59) = 2.049% kept T HB VAL 41 - QD LYS+ 65 3.571% * 1.5819% (0.24 1.0 10.00 0.17 0.02) = 1.582% kept T QB LYS+ 102 - QD LYS+ 65 3.571% * 0.7209% (0.97 1.0 10.00 0.02 0.02) = 0.721% T QB LYS+ 65 - QD LYS+ 102 3.571% * 0.1460% (0.20 1.0 10.00 0.02 0.02) = 0.146% T QB LYS+ 65 - QD LYS+ 38 3.571% * 0.1309% (0.18 1.0 10.00 0.02 0.02) = 0.131% T HG2 PRO 93 - QD LYS+ 102 3.571% * 0.1127% (0.15 1.0 10.00 0.02 0.02) = 0.113% T HG2 PRO 93 - QD LYS+ 38 3.571% * 0.1010% (0.14 1.0 10.00 0.02 0.02) = 0.101% T QB LYS+ 65 - HD3 LYS+ 111 3.571% * 0.0997% (0.13 1.0 10.00 0.02 0.02) = 0.100% HB2 LEU 71 - QD LYS+ 65 3.571% * 0.0740% (1.00 1.0 1.00 0.02 0.02) = 0.074% HG2 PRO 93 - QD LYS+ 65 3.571% * 0.0573% (0.77 1.0 1.00 0.02 1.10) = 0.057% HB3 GLN 17 - QD LYS+ 65 3.571% * 0.0361% (0.49 1.0 1.00 0.02 0.02) = 0.036% T HB VAL 41 - QD LYS+ 102 3.571% * 0.0356% (0.05 1.0 10.00 0.02 0.02) = 0.036% T HB VAL 41 - QD LYS+ 38 3.571% * 0.0319% (0.04 1.0 10.00 0.02 0.02) = 0.032% HB2 LEU 71 - QD LYS+ 102 3.571% * 0.0146% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 71 - QD LYS+ 38 3.571% * 0.0130% (0.18 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 71 - HD3 LYS+ 111 3.571% * 0.0099% (0.13 1.0 1.00 0.02 0.02) = 0.010% QB LYS+ 102 - HD3 LYS+ 111 3.571% * 0.0097% (0.13 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 93 - HD3 LYS+ 111 3.571% * 0.0077% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 17 - QD LYS+ 102 3.571% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% QB LYS+ 66 - QD LYS+ 102 3.571% * 0.0064% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - QD LYS+ 38 3.571% * 0.0064% (0.09 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 66 - QD LYS+ 38 3.571% * 0.0058% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - HD3 LYS+ 111 3.571% * 0.0049% (0.07 1.0 1.00 0.02 0.02) = 0.005% QB LYS+ 66 - HD3 LYS+ 111 3.571% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB VAL 41 - HD3 LYS+ 111 3.571% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 710 (1.50, 1.66, 29.54 ppm): 20 chemical-shift based assignments, quality = 0.839, support = 3.76, residual support = 76.8: * O T HG2 LYS+ 65 - QD LYS+ 65 5.000% * 60.0351% (1.00 10.0 10.00 3.97 109.67) = 60.035% kept T QD LYS+ 66 - QD LYS+ 65 5.000% * 37.8688% (0.63 1.0 10.00 3.63 29.03) = 37.869% kept T HD2 LYS+ 121 - QD LYS+ 65 5.000% * 0.5927% (0.99 1.0 10.00 0.02 0.02) = 0.593% T HB2 LYS+ 74 - QD LYS+ 65 5.000% * 0.4633% (0.77 1.0 10.00 0.02 0.02) = 0.463% T HG2 LYS+ 65 - QD LYS+ 102 5.000% * 0.1181% (0.20 1.0 10.00 0.02 0.02) = 0.118% T HD2 LYS+ 121 - QD LYS+ 102 5.000% * 0.1166% (0.19 1.0 10.00 0.02 0.02) = 0.117% T HG2 LYS+ 65 - QD LYS+ 38 5.000% * 0.1059% (0.18 1.0 10.00 0.02 0.02) = 0.106% T HD2 LYS+ 121 - QD LYS+ 38 5.000% * 0.1045% (0.17 1.0 10.00 0.02 0.02) = 0.105% T HB2 LYS+ 74 - QD LYS+ 38 5.000% * 0.0817% (0.14 1.0 10.00 0.02 0.02) = 0.082% T HG2 LYS+ 65 - HD3 LYS+ 111 5.000% * 0.0807% (0.13 1.0 10.00 0.02 0.02) = 0.081% T HD2 LYS+ 121 - HD3 LYS+ 111 5.000% * 0.0796% (0.13 1.0 10.00 0.02 0.28) = 0.080% T QD LYS+ 66 - QD LYS+ 102 5.000% * 0.0745% (0.12 1.0 10.00 0.02 0.02) = 0.075% T QD LYS+ 66 - QD LYS+ 38 5.000% * 0.0668% (0.11 1.0 10.00 0.02 0.02) = 0.067% T HB2 LYS+ 74 - HD3 LYS+ 111 5.000% * 0.0622% (0.10 1.0 10.00 0.02 0.02) = 0.062% QG2 THR 26 - QD LYS+ 65 5.000% * 0.0593% (0.99 1.0 1.00 0.02 0.35) = 0.059% T QD LYS+ 66 - HD3 LYS+ 111 5.000% * 0.0509% (0.08 1.0 10.00 0.02 0.02) = 0.051% QG2 THR 26 - QD LYS+ 102 5.000% * 0.0117% (0.19 1.0 1.00 0.02 0.02) = 0.012% QG2 THR 26 - QD LYS+ 38 5.000% * 0.0105% (0.17 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 74 - QD LYS+ 102 5.000% * 0.0091% (0.15 1.0 1.00 0.02 0.02) = 0.009% QG2 THR 26 - HD3 LYS+ 111 5.000% * 0.0080% (0.13 1.0 1.00 0.02 0.02) = 0.008% Peak 712 (1.66, 1.66, 29.54 ppm): 4 diagonal assignments: * QD LYS+ 65 - QD LYS+ 65 (1.00) kept QD LYS+ 38 - QD LYS+ 38 (0.16) kept QD LYS+ 102 - QD LYS+ 102 (0.09) kept HD3 LYS+ 111 - HD3 LYS+ 111 (0.02) kept Peak 713 (2.93, 1.66, 29.54 ppm): 24 chemical-shift based assignments, quality = 0.955, support = 3.28, residual support = 82.1: * O T QE LYS+ 65 - QD LYS+ 65 4.167% * 74.6754% (1.00 10.0 10.00 4.15 109.67) = 74.675% kept T QE LYS+ 33 - QD LYS+ 65 4.167% * 24.3321% (0.85 1.0 10.00 0.76 1.01) = 24.332% kept T QE LYS+ 65 - QD LYS+ 102 4.167% * 0.1469% (0.20 1.0 10.00 0.02 0.02) = 0.147% T QE LYS+ 65 - QD LYS+ 38 4.167% * 0.1317% (0.18 1.0 10.00 0.02 0.02) = 0.132% T QE LYS+ 33 - QD LYS+ 102 4.167% * 0.1256% (0.17 1.0 10.00 0.02 0.02) = 0.126% T QE LYS+ 33 - QD LYS+ 38 4.167% * 0.1126% (0.15 1.0 10.00 0.02 0.02) = 0.113% T QE LYS+ 65 - HD3 LYS+ 111 4.167% * 0.1003% (0.13 1.0 10.00 0.02 0.02) = 0.100% T QE LYS+ 33 - HD3 LYS+ 111 4.167% * 0.0858% (0.11 1.0 10.00 0.02 0.02) = 0.086% HB2 ASN 28 - QD LYS+ 65 4.167% * 0.0709% (0.95 1.0 1.00 0.02 0.02) = 0.071% HB2 ASP- 86 - QD LYS+ 65 4.167% * 0.0665% (0.89 1.0 1.00 0.02 0.02) = 0.067% HB2 ASN 35 - QD LYS+ 65 4.167% * 0.0363% (0.49 1.0 1.00 0.02 0.02) = 0.036% HB2 ASP- 78 - QD LYS+ 65 4.167% * 0.0182% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB2 ASN 28 - QD LYS+ 102 4.167% * 0.0140% (0.19 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 86 - QD LYS+ 102 4.167% * 0.0131% (0.18 1.0 1.00 0.02 0.02) = 0.013% HB2 ASN 28 - QD LYS+ 38 4.167% * 0.0125% (0.17 1.0 1.00 0.02 0.91) = 0.013% HB2 ASP- 86 - QD LYS+ 38 4.167% * 0.0117% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 ASN 28 - HD3 LYS+ 111 4.167% * 0.0095% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 86 - HD3 LYS+ 111 4.167% * 0.0089% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB2 ASN 35 - QD LYS+ 102 4.167% * 0.0072% (0.10 1.0 1.00 0.02 0.11) = 0.007% HB2 ASN 35 - QD LYS+ 38 4.167% * 0.0064% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 ASN 35 - HD3 LYS+ 111 4.167% * 0.0049% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB2 ASP- 78 - QD LYS+ 102 4.167% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 ASP- 78 - QD LYS+ 38 4.167% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB2 ASP- 78 - HD3 LYS+ 111 4.167% * 0.0024% (0.03 1.0 1.00 0.02 1.28) = 0.002% Peak 721 (3.96, 2.93, 42.22 ppm): 20 chemical-shift based assignments, quality = 0.834, support = 4.39, residual support = 97.5: * T HA LYS+ 65 - QE LYS+ 65 5.000% * 88.7788% (0.89 10.00 4.89 109.67) = 88.779% kept T HA LYS+ 65 - QE LYS+ 33 5.000% * 9.8636% (0.44 10.00 0.45 1.01) = 9.864% kept T HA LYS+ 121 - QE LYS+ 65 5.000% * 0.4391% (0.44 10.00 0.02 0.02) = 0.439% T HA LYS+ 121 - QE LYS+ 33 5.000% * 0.2152% (0.22 10.00 0.02 0.02) = 0.215% QB SER 85 - QE LYS+ 65 5.000% * 0.0946% (0.95 1.00 0.02 0.02) = 0.095% HA2 GLY 16 - QE LYS+ 65 5.000% * 0.0946% (0.95 1.00 0.02 0.02) = 0.095% HA ALA 120 - QE LYS+ 65 5.000% * 0.0920% (0.92 1.00 0.02 0.02) = 0.092% QB SER 48 - QE LYS+ 65 5.000% * 0.0676% (0.68 1.00 0.02 0.02) = 0.068% HB THR 94 - QE LYS+ 65 5.000% * 0.0532% (0.53 1.00 0.02 0.02) = 0.053% QB SER 85 - QE LYS+ 33 5.000% * 0.0464% (0.47 1.00 0.02 0.02) = 0.046% HA2 GLY 16 - QE LYS+ 33 5.000% * 0.0464% (0.47 1.00 0.02 0.02) = 0.046% HA ALA 120 - QE LYS+ 33 5.000% * 0.0451% (0.45 1.00 0.02 0.02) = 0.045% HA2 GLY 51 - QE LYS+ 65 5.000% * 0.0353% (0.35 1.00 0.02 0.02) = 0.035% QB SER 48 - QE LYS+ 33 5.000% * 0.0331% (0.33 1.00 0.02 0.02) = 0.033% HB THR 94 - QE LYS+ 33 5.000% * 0.0261% (0.26 1.00 0.02 0.02) = 0.026% HD2 PRO 52 - QE LYS+ 65 5.000% * 0.0212% (0.21 1.00 0.02 0.02) = 0.021% HA2 GLY 51 - QE LYS+ 33 5.000% * 0.0173% (0.17 1.00 0.02 0.02) = 0.017% QB SER 117 - QE LYS+ 65 5.000% * 0.0135% (0.14 1.00 0.02 0.02) = 0.013% HD2 PRO 52 - QE LYS+ 33 5.000% * 0.0104% (0.10 1.00 0.02 0.02) = 0.010% QB SER 117 - QE LYS+ 33 5.000% * 0.0066% (0.07 1.00 0.02 0.02) = 0.007% Peak 722 (1.80, 2.93, 42.22 ppm): 14 chemical-shift based assignments, quality = 0.902, support = 4.58, residual support = 92.1: * T QB LYS+ 65 - QE LYS+ 65 7.143% * 82.0206% (1.00 10.00 5.19 109.67) = 82.021% kept T QB LYS+ 65 - QE LYS+ 33 7.143% * 10.3764% (0.49 10.00 0.52 1.01) = 10.376% kept QB LYS+ 66 - QE LYS+ 65 7.143% * 6.9664% (0.44 1.00 3.85 29.03) = 6.966% kept HG2 PRO 93 - QE LYS+ 65 7.143% * 0.2581% (0.77 1.00 0.08 1.10) = 0.258% HB2 LEU 71 - QE LYS+ 65 7.143% * 0.0818% (1.00 1.00 0.02 0.02) = 0.082% QB LYS+ 102 - QE LYS+ 65 7.143% * 0.0797% (0.97 1.00 0.02 0.02) = 0.080% HB2 LEU 71 - QE LYS+ 33 7.143% * 0.0401% (0.49 1.00 0.02 0.02) = 0.040% HB3 GLN 17 - QE LYS+ 65 7.143% * 0.0399% (0.49 1.00 0.02 0.02) = 0.040% QB LYS+ 102 - QE LYS+ 33 7.143% * 0.0391% (0.48 1.00 0.02 0.02) = 0.039% HG2 PRO 93 - QE LYS+ 33 7.143% * 0.0310% (0.38 1.00 0.02 0.02) = 0.031% HB VAL 41 - QE LYS+ 65 7.143% * 0.0200% (0.24 1.00 0.02 0.02) = 0.020% HB3 GLN 17 - QE LYS+ 33 7.143% * 0.0196% (0.24 1.00 0.02 0.02) = 0.020% QB LYS+ 66 - QE LYS+ 33 7.143% * 0.0177% (0.22 1.00 0.02 0.02) = 0.018% HB VAL 41 - QE LYS+ 33 7.143% * 0.0098% (0.12 1.00 0.02 0.02) = 0.010% Peak 724 (1.50, 2.93, 42.22 ppm): 10 chemical-shift based assignments, quality = 0.886, support = 3.59, residual support = 85.6: * O T HG2 LYS+ 65 - QE LYS+ 65 10.000% * 75.4162% (1.00 10.0 10.00 4.11 109.67) = 75.416% kept T HG2 LYS+ 65 - QE LYS+ 33 10.000% * 14.8546% (0.49 1.0 10.00 0.80 1.01) = 14.855% kept QD LYS+ 66 - QE LYS+ 65 10.000% * 9.3974% (0.63 1.0 1.00 3.95 29.03) = 9.397% kept HD2 LYS+ 121 - QE LYS+ 65 10.000% * 0.0745% (0.99 1.0 1.00 0.02 0.02) = 0.074% QG2 THR 26 - QE LYS+ 65 10.000% * 0.0745% (0.99 1.0 1.00 0.02 0.35) = 0.074% HB2 LYS+ 74 - QE LYS+ 65 10.000% * 0.0582% (0.77 1.0 1.00 0.02 0.02) = 0.058% HD2 LYS+ 121 - QE LYS+ 33 10.000% * 0.0365% (0.48 1.0 1.00 0.02 0.02) = 0.036% QG2 THR 26 - QE LYS+ 33 10.000% * 0.0365% (0.48 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 74 - QE LYS+ 33 10.000% * 0.0285% (0.38 1.0 1.00 0.02 0.02) = 0.029% QD LYS+ 66 - QE LYS+ 33 10.000% * 0.0233% (0.31 1.0 1.00 0.02 0.02) = 0.023% Peak 726 (1.66, 2.93, 42.22 ppm): 20 chemical-shift based assignments, quality = 0.898, support = 3.53, residual support = 90.3: * O T QD LYS+ 65 - QE LYS+ 65 5.000% * 82.2419% (1.00 10.0 10.00 4.15 109.67) = 82.242% kept T QD LYS+ 65 - QE LYS+ 33 5.000% * 15.3605% (0.49 1.0 10.00 0.76 1.01) = 15.360% kept T QD LYS+ 38 - QE LYS+ 65 5.000% * 0.7329% (0.89 1.0 10.00 0.02 0.02) = 0.733% T QD LYS+ 102 - QE LYS+ 65 5.000% * 0.3625% (0.44 1.0 10.00 0.02 0.02) = 0.363% T QD LYS+ 38 - QE LYS+ 33 5.000% * 0.3591% (0.44 1.0 10.00 0.02 0.02) = 0.359% HB VAL 83 - QE LYS+ 65 5.000% * 0.3083% (0.99 1.0 1.00 0.08 0.02) = 0.308% T QD LYS+ 102 - QE LYS+ 33 5.000% * 0.1776% (0.22 1.0 10.00 0.02 0.02) = 0.178% T HD3 LYS+ 111 - QE LYS+ 65 5.000% * 0.1113% (0.14 1.0 10.00 0.02 0.02) = 0.111% HB2 LYS+ 121 - QE LYS+ 65 5.000% * 0.0820% (1.00 1.0 1.00 0.02 0.02) = 0.082% T HD3 LYS+ 111 - QE LYS+ 33 5.000% * 0.0545% (0.07 1.0 10.00 0.02 0.02) = 0.055% HB2 LYS+ 121 - QE LYS+ 33 5.000% * 0.0402% (0.49 1.0 1.00 0.02 0.02) = 0.040% HB VAL 83 - QE LYS+ 33 5.000% * 0.0398% (0.48 1.0 1.00 0.02 0.02) = 0.040% HD2 LYS+ 74 - QE LYS+ 65 5.000% * 0.0363% (0.44 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 93 - QE LYS+ 65 5.000% * 0.0201% (0.24 1.0 1.00 0.02 1.10) = 0.020% HD2 LYS+ 74 - QE LYS+ 33 5.000% * 0.0178% (0.22 1.0 1.00 0.02 0.02) = 0.018% HB2 LEU 123 - QE LYS+ 65 5.000% * 0.0175% (0.21 1.0 1.00 0.02 0.62) = 0.017% QB ALA 57 - QE LYS+ 65 5.000% * 0.0130% (0.16 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 93 - QE LYS+ 33 5.000% * 0.0098% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 123 - QE LYS+ 33 5.000% * 0.0086% (0.10 1.0 1.00 0.02 0.02) = 0.009% QB ALA 57 - QE LYS+ 33 5.000% * 0.0064% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 727 (2.93, 2.93, 42.22 ppm): 2 diagonal assignments: * QE LYS+ 65 - QE LYS+ 65 (1.00) kept QE LYS+ 33 - QE LYS+ 33 (0.42) kept Peak 728 (4.07, 4.07, 57.65 ppm): 1 diagonal assignment: * HA LYS+ 66 - HA LYS+ 66 (1.00) kept Peak 729 (1.82, 4.07, 57.65 ppm): 9 chemical-shift based assignments, quality = 0.928, support = 4.8, residual support = 78.9: * O T QB LYS+ 66 - HA LYS+ 66 11.111% * 85.5679% (1.00 10.0 10.00 4.91 88.66) = 85.568% kept QB LYS+ 65 - HA LYS+ 66 11.111% * 10.4192% (0.44 1.0 1.00 5.52 29.03) = 10.419% kept HB VAL 41 - HA LYS+ 66 11.111% * 2.8806% (0.92 1.0 1.00 0.73 0.54) = 2.881% kept HG2 PRO 93 - HA LYS+ 66 11.111% * 0.9071% (0.85 1.0 1.00 0.25 0.02) = 0.907% HG12 ILE 103 - HA LYS+ 66 11.111% * 0.0660% (0.77 1.0 1.00 0.02 0.02) = 0.066% QB LYS+ 102 - HA LYS+ 66 11.111% * 0.0498% (0.58 1.0 1.00 0.02 0.02) = 0.050% HB3 PRO 52 - HA LYS+ 66 11.111% * 0.0377% (0.44 1.0 1.00 0.02 0.02) = 0.038% HG LEU 123 - HA LYS+ 66 11.111% * 0.0377% (0.44 1.0 1.00 0.02 0.02) = 0.038% HB2 LEU 71 - HA LYS+ 66 11.111% * 0.0339% (0.40 1.0 1.00 0.02 0.02) = 0.034% Peak 731 (1.44, 4.07, 57.65 ppm): 11 chemical-shift based assignments, quality = 0.857, support = 4.0, residual support = 67.3: * O T QG LYS+ 66 - HA LYS+ 66 9.091% * 71.3080% (1.00 10.0 10.00 4.20 88.66) = 71.308% kept T HG LEU 67 - HA LYS+ 66 9.091% * 17.3885% (0.24 1.0 10.00 3.71 14.36) = 17.388% kept HB3 LEU 67 - HA LYS+ 66 9.091% * 10.9729% (0.92 1.0 1.00 3.33 14.36) = 10.973% kept HG LEU 73 - HA LYS+ 66 9.091% * 0.0658% (0.92 1.0 1.00 0.02 0.02) = 0.066% HG2 LYS+ 102 - HA LYS+ 66 9.091% * 0.0581% (0.81 1.0 1.00 0.02 0.02) = 0.058% QB ALA 61 - HA LYS+ 66 9.091% * 0.0550% (0.77 1.0 1.00 0.02 0.02) = 0.055% HG LEU 80 - HA LYS+ 66 9.091% * 0.0381% (0.53 1.0 1.00 0.02 0.02) = 0.038% QB ALA 110 - HA LYS+ 66 9.091% * 0.0347% (0.49 1.0 1.00 0.02 0.02) = 0.035% HG12 ILE 19 - HA LYS+ 66 9.091% * 0.0283% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 115 - HA LYS+ 66 9.091% * 0.0253% (0.35 1.0 1.00 0.02 0.44) = 0.025% HG LEU 40 - HA LYS+ 66 9.091% * 0.0253% (0.35 1.0 1.00 0.02 0.17) = 0.025% Peak 732 (1.51, 4.07, 57.65 ppm): 9 chemical-shift based assignments, quality = 0.954, support = 4.12, residual support = 81.9: * T QD LYS+ 66 - HA LYS+ 66 11.111% * 89.0720% (1.00 10.00 4.23 88.66) = 89.072% kept HG2 LYS+ 65 - HA LYS+ 66 11.111% * 10.0336% (0.63 1.00 3.57 29.03) = 10.034% kept T HD2 LYS+ 121 - HA LYS+ 66 11.111% * 0.6468% (0.73 10.00 0.02 0.02) = 0.647% HG LEU 104 - HA LYS+ 66 11.111% * 0.0519% (0.58 1.00 0.02 0.02) = 0.052% HB3 LYS+ 121 - HA LYS+ 66 11.111% * 0.0519% (0.58 1.00 0.02 0.02) = 0.052% QG2 THR 26 - HA LYS+ 66 11.111% * 0.0476% (0.53 1.00 0.02 0.02) = 0.048% HB3 LYS+ 111 - HA LYS+ 66 11.111% * 0.0393% (0.44 1.00 0.02 0.02) = 0.039% HD3 LYS+ 74 - HA LYS+ 66 11.111% * 0.0353% (0.40 1.00 0.02 0.02) = 0.035% HB2 LYS+ 74 - HA LYS+ 66 11.111% * 0.0217% (0.24 1.00 0.02 0.02) = 0.022% Peak 733 (2.87, 4.07, 57.65 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 88.6: * T QE LYS+ 66 - HA LYS+ 66 33.333% * 99.9002% (1.00 10.00 4.42 88.66) = 99.900% kept HB3 ASN 35 - HA LYS+ 66 33.333% * 0.0814% (0.81 1.00 0.02 0.02) = 0.081% HB2 ASN 69 - HA LYS+ 66 33.333% * 0.0184% (0.18 1.00 0.02 0.19) = 0.018% Peak 734 (4.07, 1.82, 33.88 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.91, residual support = 88.7: * O T HA LYS+ 66 - QB LYS+ 66 100.000% *100.0000% (1.00 10.0 10.00 4.91 88.66) = 100.000% kept Peak 735 (1.82, 1.82, 33.88 ppm): 1 diagonal assignment: * QB LYS+ 66 - QB LYS+ 66 (1.00) kept Peak 737 (1.44, 1.82, 33.88 ppm): 11 chemical-shift based assignments, quality = 0.852, support = 3.89, residual support = 67.5: * O T QG LYS+ 66 - QB LYS+ 66 9.091% * 71.6951% (1.00 10.0 10.00 4.18 88.66) = 71.695% kept T HG LEU 67 - QB LYS+ 66 9.091% * 17.4829% (0.24 1.0 10.00 3.43 14.36) = 17.483% kept HB3 LEU 67 - QB LYS+ 66 9.091% * 9.9639% (0.92 1.0 1.00 3.01 14.36) = 9.964% kept T HG2 LYS+ 102 - QB LYS+ 66 9.091% * 0.5842% (0.81 1.0 10.00 0.02 0.02) = 0.584% HG LEU 73 - QB LYS+ 66 9.091% * 0.0662% (0.92 1.0 1.00 0.02 0.02) = 0.066% QB ALA 61 - QB LYS+ 66 9.091% * 0.0553% (0.77 1.0 1.00 0.02 0.02) = 0.055% HG LEU 80 - QB LYS+ 66 9.091% * 0.0383% (0.53 1.0 1.00 0.02 0.02) = 0.038% QB ALA 110 - QB LYS+ 66 9.091% * 0.0349% (0.49 1.0 1.00 0.02 0.02) = 0.035% HG12 ILE 19 - QB LYS+ 66 9.091% * 0.0284% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 115 - QB LYS+ 66 9.091% * 0.0254% (0.35 1.0 1.00 0.02 0.44) = 0.025% HG LEU 40 - QB LYS+ 66 9.091% * 0.0254% (0.35 1.0 1.00 0.02 0.17) = 0.025% Peak 738 (1.51, 1.82, 33.88 ppm): 9 chemical-shift based assignments, quality = 0.852, support = 3.93, residual support = 65.2: * O T QD LYS+ 66 - QB LYS+ 66 11.111% * 60.9451% (1.00 10.0 10.00 4.20 88.66) = 60.945% kept T HG2 LYS+ 65 - QB LYS+ 66 11.111% * 38.4429% (0.63 1.0 10.00 3.56 29.03) = 38.443% kept T HD2 LYS+ 121 - QB LYS+ 66 11.111% * 0.4426% (0.73 1.0 10.00 0.02 0.02) = 0.443% HG LEU 104 - QB LYS+ 66 11.111% * 0.0355% (0.58 1.0 1.00 0.02 0.02) = 0.035% HB3 LYS+ 121 - QB LYS+ 66 11.111% * 0.0355% (0.58 1.0 1.00 0.02 0.02) = 0.035% QG2 THR 26 - QB LYS+ 66 11.111% * 0.0325% (0.53 1.0 1.00 0.02 0.02) = 0.033% HB3 LYS+ 111 - QB LYS+ 66 11.111% * 0.0269% (0.44 1.0 1.00 0.02 0.02) = 0.027% HD3 LYS+ 74 - QB LYS+ 66 11.111% * 0.0242% (0.40 1.0 1.00 0.02 0.02) = 0.024% HB2 LYS+ 74 - QB LYS+ 66 11.111% * 0.0149% (0.24 1.0 1.00 0.02 0.02) = 0.015% Peak 739 (2.87, 1.82, 33.88 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.32, residual support = 88.6: * T QE LYS+ 66 - QB LYS+ 66 33.333% * 99.9002% (1.00 10.00 4.32 88.66) = 99.900% kept HB3 ASN 35 - QB LYS+ 66 33.333% * 0.0814% (0.81 1.00 0.02 0.02) = 0.081% HB2 ASN 69 - QB LYS+ 66 33.333% * 0.0184% (0.18 1.00 0.02 0.19) = 0.018% Peak 746 (4.07, 1.44, 25.66 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 88.6: * O T HA LYS+ 66 - QG LYS+ 66 50.000% * 99.9500% (1.00 10.0 10.00 4.20 88.66) = 99.950% kept T HA LYS+ 66 - HG LEU 67 50.000% * 0.0500% (0.05 1.0 10.00 0.02 14.36) = 0.050% Peak 747 (1.82, 1.44, 25.66 ppm): 18 chemical-shift based assignments, quality = 0.932, support = 3.71, residual support = 71.0: * O T QB LYS+ 66 - QG LYS+ 66 5.556% * 77.2438% (1.00 10.0 10.00 4.18 88.66) = 77.244% kept T HB VAL 41 - QG LYS+ 66 5.556% * 13.2084% (0.92 1.0 10.00 0.37 0.54) = 13.208% kept QB LYS+ 65 - QG LYS+ 66 5.556% * 8.5710% (0.44 1.0 1.00 5.03 29.03) = 8.571% kept T QB LYS+ 102 - QG LYS+ 66 5.556% * 0.4498% (0.58 1.0 10.00 0.02 0.02) = 0.450% HG2 PRO 93 - QG LYS+ 66 5.556% * 0.2589% (0.85 1.0 1.00 0.08 0.02) = 0.259% HG12 ILE 103 - QG LYS+ 66 5.556% * 0.0596% (0.77 1.0 1.00 0.02 0.02) = 0.060% T QB LYS+ 66 - HG LEU 67 5.556% * 0.0386% (0.05 1.0 10.00 0.02 14.36) = 0.039% T HB VAL 41 - HG LEU 67 5.556% * 0.0357% (0.05 1.0 10.00 0.02 0.02) = 0.036% HG LEU 123 - QG LYS+ 66 5.556% * 0.0340% (0.44 1.0 1.00 0.02 0.02) = 0.034% HB3 PRO 52 - QG LYS+ 66 5.556% * 0.0340% (0.44 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 71 - QG LYS+ 66 5.556% * 0.0306% (0.40 1.0 1.00 0.02 0.02) = 0.031% T QB LYS+ 102 - HG LEU 67 5.556% * 0.0225% (0.03 1.0 10.00 0.02 0.02) = 0.022% HG2 PRO 93 - HG LEU 67 5.556% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 103 - HG LEU 67 5.556% * 0.0030% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 52 - HG LEU 67 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG LEU 123 - HG LEU 67 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LYS+ 65 - HG LEU 67 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.15) = 0.002% HB2 LEU 71 - HG LEU 67 5.556% * 0.0015% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 749 (1.44, 1.44, 25.66 ppm): 2 diagonal assignments: * QG LYS+ 66 - QG LYS+ 66 (1.00) kept HG LEU 67 - HG LEU 67 (0.01) kept Peak 750 (1.51, 1.44, 25.66 ppm): 18 chemical-shift based assignments, quality = 0.915, support = 3.42, residual support = 79.0: * O T QD LYS+ 66 - QG LYS+ 66 5.556% * 85.2423% (1.00 10.0 10.00 3.46 88.66) = 85.242% kept HG2 LYS+ 65 - QG LYS+ 66 5.556% * 9.5834% (0.63 1.0 1.00 3.56 29.03) = 9.583% kept T QD LYS+ 66 - HG LEU 67 5.556% * 4.2635% (0.05 1.0 10.00 2.98 14.36) = 4.264% kept T HD2 LYS+ 121 - QG LYS+ 66 5.556% * 0.6190% (0.73 1.0 10.00 0.02 0.02) = 0.619% HG LEU 104 - QG LYS+ 66 5.556% * 0.0496% (0.58 1.0 1.00 0.02 0.02) = 0.050% HB3 LYS+ 121 - QG LYS+ 66 5.556% * 0.0496% (0.58 1.0 1.00 0.02 0.02) = 0.050% QG2 THR 26 - QG LYS+ 66 5.556% * 0.0455% (0.53 1.0 1.00 0.02 0.02) = 0.046% HB3 LYS+ 111 - QG LYS+ 66 5.556% * 0.0376% (0.44 1.0 1.00 0.02 0.02) = 0.038% HD3 LYS+ 74 - QG LYS+ 66 5.556% * 0.0338% (0.40 1.0 1.00 0.02 0.02) = 0.034% T HD2 LYS+ 121 - HG LEU 67 5.556% * 0.0310% (0.04 1.0 10.00 0.02 0.02) = 0.031% HB2 LYS+ 74 - QG LYS+ 66 5.556% * 0.0208% (0.24 1.0 1.00 0.02 0.02) = 0.021% T HB2 LYS+ 74 - HG LEU 67 5.556% * 0.0104% (0.01 1.0 10.00 0.02 0.02) = 0.010% HG2 LYS+ 65 - HG LEU 67 5.556% * 0.0027% (0.03 1.0 1.00 0.02 0.15) = 0.003% HB3 LYS+ 121 - HG LEU 67 5.556% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG LEU 104 - HG LEU 67 5.556% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% QG2 THR 26 - HG LEU 67 5.556% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 LYS+ 111 - HG LEU 67 5.556% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HD3 LYS+ 74 - HG LEU 67 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 751 (2.87, 1.44, 25.66 ppm): 6 chemical-shift based assignments, quality = 0.954, support = 3.61, residual support = 85.0: * O T QE LYS+ 66 - QG LYS+ 66 16.667% * 95.1416% (1.00 10.0 10.00 3.64 88.66) = 95.142% kept T QE LYS+ 66 - HG LEU 67 16.667% * 4.7587% (0.05 1.0 10.00 3.06 14.36) = 4.759% kept HB3 ASN 35 - QG LYS+ 66 16.667% * 0.0775% (0.81 1.0 1.00 0.02 0.02) = 0.078% HB2 ASN 69 - QG LYS+ 66 16.667% * 0.0175% (0.18 1.0 1.00 0.02 0.19) = 0.018% HB3 ASN 35 - HG LEU 67 16.667% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 ASN 69 - HG LEU 67 16.667% * 0.0009% (0.01 1.0 1.00 0.02 2.98) = 0.001% Peak 752 (4.07, 1.51, 29.56 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.22, residual support = 88.6: * T HA LYS+ 66 - QD LYS+ 66 50.000% * 99.8874% (1.00 10.00 4.23 88.66) = 99.887% kept T HA LYS+ 66 - HD2 LYS+ 121 50.000% * 0.1126% (0.11 10.00 0.02 0.02) = 0.113% Peak 753 (1.82, 1.51, 29.56 ppm): 18 chemical-shift based assignments, quality = 0.825, support = 4.31, residual support = 69.2: * O T QB LYS+ 66 - QD LYS+ 66 5.556% * 68.1870% (1.00 10.0 10.00 4.20 88.66) = 68.187% kept T QB LYS+ 65 - QD LYS+ 66 5.556% * 30.0557% (0.44 1.0 10.00 4.78 29.03) = 30.056% kept HB VAL 41 - QD LYS+ 66 5.556% * 1.2045% (0.92 1.0 1.00 0.38 0.54) = 1.205% kept HG2 PRO 93 - QD LYS+ 66 5.556% * 0.2286% (0.85 1.0 1.00 0.08 0.02) = 0.229% T QB LYS+ 66 - HD2 LYS+ 121 5.556% * 0.0769% (0.11 1.0 10.00 0.02 0.02) = 0.077% HG12 ILE 103 - QD LYS+ 66 5.556% * 0.0526% (0.77 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 102 - QD LYS+ 66 5.556% * 0.0397% (0.58 1.0 1.00 0.02 0.02) = 0.040% T QB LYS+ 65 - HD2 LYS+ 121 5.556% * 0.0339% (0.05 1.0 10.00 0.02 0.02) = 0.034% HB3 PRO 52 - QD LYS+ 66 5.556% * 0.0301% (0.44 1.0 1.00 0.02 0.02) = 0.030% HG LEU 123 - QD LYS+ 66 5.556% * 0.0301% (0.44 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 71 - QD LYS+ 66 5.556% * 0.0270% (0.40 1.0 1.00 0.02 0.02) = 0.027% HB VAL 41 - HD2 LYS+ 121 5.556% * 0.0071% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG2 PRO 93 - HD2 LYS+ 121 5.556% * 0.0066% (0.10 1.0 1.00 0.02 0.02) = 0.007% HG12 ILE 103 - HD2 LYS+ 121 5.556% * 0.0059% (0.09 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 102 - HD2 LYS+ 121 5.556% * 0.0045% (0.07 1.0 1.00 0.02 0.02) = 0.004% HG LEU 123 - HD2 LYS+ 121 5.556% * 0.0034% (0.05 1.0 1.00 0.02 1.71) = 0.003% HB3 PRO 52 - HD2 LYS+ 121 5.556% * 0.0034% (0.05 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 71 - HD2 LYS+ 121 5.556% * 0.0030% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 755 (1.44, 1.51, 29.56 ppm): 22 chemical-shift based assignments, quality = 0.854, support = 3.28, residual support = 68.7: * O T QG LYS+ 66 - QD LYS+ 66 4.545% * 73.2684% (1.00 10.0 10.00 3.46 88.66) = 73.268% kept T HG LEU 67 - QD LYS+ 66 4.545% * 17.8665% (0.24 1.0 10.00 2.98 14.36) = 17.867% kept HB3 LEU 67 - QD LYS+ 66 4.545% * 8.3766% (0.92 1.0 1.00 2.48 14.36) = 8.377% kept T QG LYS+ 66 - HD2 LYS+ 121 4.545% * 0.0826% (0.11 1.0 10.00 0.02 0.02) = 0.083% HG LEU 73 - QD LYS+ 66 4.545% * 0.0676% (0.92 1.0 1.00 0.02 0.02) = 0.068% HG2 LYS+ 102 - QD LYS+ 66 4.545% * 0.0597% (0.81 1.0 1.00 0.02 0.02) = 0.060% QB ALA 61 - QD LYS+ 66 4.545% * 0.0565% (0.77 1.0 1.00 0.02 0.02) = 0.057% HG LEU 80 - QD LYS+ 66 4.545% * 0.0391% (0.53 1.0 1.00 0.02 0.02) = 0.039% QB ALA 110 - QD LYS+ 66 4.545% * 0.0357% (0.49 1.0 1.00 0.02 0.02) = 0.036% HG12 ILE 19 - QD LYS+ 66 4.545% * 0.0291% (0.40 1.0 1.00 0.02 0.02) = 0.029% HG LEU 40 - QD LYS+ 66 4.545% * 0.0260% (0.35 1.0 1.00 0.02 0.17) = 0.026% HB3 LEU 115 - QD LYS+ 66 4.545% * 0.0260% (0.35 1.0 1.00 0.02 0.44) = 0.026% T HG LEU 67 - HD2 LYS+ 121 4.545% * 0.0201% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB3 LEU 67 - HD2 LYS+ 121 4.545% * 0.0076% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG LEU 73 - HD2 LYS+ 121 4.545% * 0.0076% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 LYS+ 102 - HD2 LYS+ 121 4.545% * 0.0067% (0.09 1.0 1.00 0.02 0.02) = 0.007% QB ALA 61 - HD2 LYS+ 121 4.545% * 0.0064% (0.09 1.0 1.00 0.02 0.02) = 0.006% HG LEU 80 - HD2 LYS+ 121 4.545% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% QB ALA 110 - HD2 LYS+ 121 4.545% * 0.0040% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG12 ILE 19 - HD2 LYS+ 121 4.545% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 LEU 115 - HD2 LYS+ 121 4.545% * 0.0029% (0.04 1.0 1.00 0.02 0.15) = 0.003% HG LEU 40 - HD2 LYS+ 121 4.545% * 0.0029% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 756 (1.51, 1.51, 29.56 ppm): 2 diagonal assignments: * QD LYS+ 66 - QD LYS+ 66 (1.00) kept HD2 LYS+ 121 - HD2 LYS+ 121 (0.08) kept Peak 757 (2.87, 1.51, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.64, residual support = 88.5: * O T QE LYS+ 66 - QD LYS+ 66 16.667% * 99.7766% (1.00 10.0 10.00 3.65 88.66) = 99.777% kept T QE LYS+ 66 - HD2 LYS+ 121 16.667% * 0.1125% (0.11 1.0 10.00 0.02 0.02) = 0.113% HB3 ASN 35 - QD LYS+ 66 16.667% * 0.0813% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 ASN 69 - QD LYS+ 66 16.667% * 0.0184% (0.18 1.0 1.00 0.02 0.19) = 0.018% HB3 ASN 35 - HD2 LYS+ 121 16.667% * 0.0092% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB2 ASN 69 - HD2 LYS+ 121 16.667% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 758 (4.07, 2.87, 42.12 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.42, residual support = 88.7: * T HA LYS+ 66 - QE LYS+ 66 100.000% *100.0000% (1.00 10.00 4.42 88.66) = 100.000% kept Peak 759 (1.82, 2.87, 42.12 ppm): 9 chemical-shift based assignments, quality = 0.93, support = 4.24, residual support = 81.6: * T QB LYS+ 66 - QE LYS+ 66 11.111% * 89.1703% (1.00 10.00 4.32 88.66) = 89.170% kept QB LYS+ 65 - QE LYS+ 66 11.111% * 8.7050% (0.44 1.00 4.43 29.03) = 8.705% kept HG2 PRO 93 - QE LYS+ 66 11.111% * 0.7947% (0.85 1.00 0.21 0.02) = 0.795% HB VAL 41 - QE LYS+ 66 11.111% * 0.7197% (0.92 1.00 0.17 0.54) = 0.720% HB2 LEU 71 - QE LYS+ 66 11.111% * 0.4110% (0.40 1.00 0.23 0.02) = 0.411% HG12 ILE 103 - QE LYS+ 66 11.111% * 0.0688% (0.77 1.00 0.02 0.02) = 0.069% QB LYS+ 102 - QE LYS+ 66 11.111% * 0.0519% (0.58 1.00 0.02 0.02) = 0.052% HG LEU 123 - QE LYS+ 66 11.111% * 0.0393% (0.44 1.00 0.02 0.02) = 0.039% HB3 PRO 52 - QE LYS+ 66 11.111% * 0.0393% (0.44 1.00 0.02 0.02) = 0.039% Peak 761 (1.44, 2.87, 42.12 ppm): 11 chemical-shift based assignments, quality = 0.85, support = 3.43, residual support = 67.6: * O T QG LYS+ 66 - QE LYS+ 66 9.091% * 71.9155% (1.00 10.0 10.00 3.64 88.66) = 71.916% kept T HG LEU 67 - QE LYS+ 66 9.091% * 17.5366% (0.24 1.0 10.00 3.06 14.36) = 17.537% kept HB3 LEU 67 - QE LYS+ 66 9.091% * 9.5093% (0.92 1.0 1.00 2.86 14.36) = 9.509% kept HG LEU 73 - QE LYS+ 66 9.091% * 0.7715% (0.92 1.0 1.00 0.23 0.02) = 0.772% HG2 LYS+ 102 - QE LYS+ 66 9.091% * 0.0586% (0.81 1.0 1.00 0.02 0.02) = 0.059% QB ALA 61 - QE LYS+ 66 9.091% * 0.0555% (0.77 1.0 1.00 0.02 0.02) = 0.055% HG LEU 80 - QE LYS+ 66 9.091% * 0.0384% (0.53 1.0 1.00 0.02 0.02) = 0.038% QB ALA 110 - QE LYS+ 66 9.091% * 0.0350% (0.49 1.0 1.00 0.02 0.02) = 0.035% HG12 ILE 19 - QE LYS+ 66 9.091% * 0.0285% (0.40 1.0 1.00 0.02 0.02) = 0.029% HB3 LEU 115 - QE LYS+ 66 9.091% * 0.0255% (0.35 1.0 1.00 0.02 0.44) = 0.026% HG LEU 40 - QE LYS+ 66 9.091% * 0.0255% (0.35 1.0 1.00 0.02 0.17) = 0.026% Peak 762 (1.51, 2.87, 42.12 ppm): 9 chemical-shift based assignments, quality = 0.956, support = 3.59, residual support = 82.2: * O T QD LYS+ 66 - QE LYS+ 66 11.111% * 89.6058% (1.00 10.0 10.00 3.65 88.66) = 89.606% kept HG2 LYS+ 65 - QE LYS+ 66 11.111% * 9.4944% (0.63 1.0 1.00 3.36 29.03) = 9.494% kept T HD2 LYS+ 121 - QE LYS+ 66 11.111% * 0.6507% (0.73 1.0 10.00 0.02 0.02) = 0.651% HG LEU 104 - QE LYS+ 66 11.111% * 0.0522% (0.58 1.0 1.00 0.02 0.02) = 0.052% HB3 LYS+ 121 - QE LYS+ 66 11.111% * 0.0522% (0.58 1.0 1.00 0.02 0.02) = 0.052% QG2 THR 26 - QE LYS+ 66 11.111% * 0.0479% (0.53 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 111 - QE LYS+ 66 11.111% * 0.0395% (0.44 1.0 1.00 0.02 0.02) = 0.039% HD3 LYS+ 74 - QE LYS+ 66 11.111% * 0.0355% (0.40 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 74 - QE LYS+ 66 11.111% * 0.0219% (0.24 1.0 1.00 0.02 0.02) = 0.022% Peak 763 (2.87, 2.87, 42.12 ppm): 1 diagonal assignment: * QE LYS+ 66 - QE LYS+ 66 (1.00) kept Peak 764 (4.72, 4.72, 64.19 ppm): 1 diagonal assignment: * HA PRO 68 - HA PRO 68 (1.00) kept Peak 765 (2.11, 4.72, 64.19 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 0.985, residual support = 25.1: * O T HB2 PRO 68 - HA PRO 68 25.000% * 98.4946% (0.77 10.0 10.00 1.00 25.44) = 98.495% kept T HB VAL 24 - HA PRO 68 25.000% * 1.2723% (1.00 1.0 10.00 0.02 0.02) = 1.272% kept QB GLN 32 - HA PRO 68 25.000% * 0.1240% (0.97 1.0 1.00 0.02 0.02) = 0.124% HG3 GLU- 100 - HA PRO 68 25.000% * 0.1091% (0.85 1.0 1.00 0.02 0.02) = 0.109% Peak 766 (4.72, 2.11, 31.99 ppm): 2 chemical-shift based assignments, quality = 0.765, support = 0.991, residual support = 25.2: * O T HA PRO 68 - HB2 PRO 68 50.000% * 99.1268% (0.77 10.0 10.00 1.00 25.44) = 99.127% kept T HA PRO 68 - HB VAL 24 50.000% * 0.8732% (0.68 1.0 10.00 0.02 0.02) = 0.873% Peak 767 (2.11, 2.11, 31.99 ppm): 2 diagonal assignments: HB VAL 24 - HB VAL 24 (0.68) kept * HB2 PRO 68 - HB2 PRO 68 (0.60) kept Peak 768 (4.68, 4.68, 53.57 ppm): 1 diagonal assignment: * HA ASN 69 - HA ASN 69 (1.00) kept Peak 769 (2.90, 4.68, 53.57 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.06, residual support = 49.1: * O T HB2 ASN 69 - HA ASN 69 25.000% * 99.8360% (1.00 10.0 10.00 3.06 49.18) = 99.836% kept HB2 ASP- 76 - HA ASN 69 25.000% * 0.0970% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB2 ASP- 78 - HA ASN 69 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QE LYS+ 66 - HA ASN 69 25.000% * 0.0184% (0.18 1.0 1.00 0.02 0.19) = 0.018% Peak 770 (2.81, 4.68, 53.57 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 2.6, residual support = 48.5: * O T HB3 ASN 69 - HA ASN 69 25.000% * 98.6971% (1.00 10.0 10.00 2.63 49.18) = 98.697% kept HB2 PHE 72 - HA ASN 69 25.000% * 1.1642% (0.63 1.0 1.00 0.37 0.02) = 1.164% kept QB CYS 50 - HA ASN 69 25.000% * 0.0717% (0.73 1.0 1.00 0.02 0.02) = 0.072% QE LYS+ 74 - HA ASN 69 25.000% * 0.0670% (0.68 1.0 1.00 0.02 0.02) = 0.067% Peak 771 (4.68, 2.90, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.06, residual support = 49.1: * O T HA ASN 69 - HB2 ASN 69 33.333% * 99.8177% (1.00 10.0 10.00 3.06 49.18) = 99.818% kept HA HIS 22 - HB2 ASN 69 33.333% * 0.0970% (0.97 1.0 1.00 0.02 0.02) = 0.097% HA VAL 43 - HB2 ASN 69 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% Peak 772 (2.90, 2.90, 37.49 ppm): 1 diagonal assignment: * HB2 ASN 69 - HB2 ASN 69 (1.00) kept Peak 773 (2.81, 2.90, 37.49 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.96, residual support = 49.1: * O T HB3 ASN 69 - HB2 ASN 69 25.000% * 99.7968% (1.00 10.0 10.00 3.97 49.18) = 99.797% kept QB CYS 50 - HB2 ASN 69 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% QE LYS+ 74 - HB2 ASN 69 25.000% * 0.0678% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB2 PHE 72 - HB2 ASN 69 25.000% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% Peak 774 (4.68, 2.81, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 2.63, residual support = 49.1: * O T HA ASN 69 - HB3 ASN 69 33.333% * 99.8177% (1.00 10.0 10.00 2.63 49.18) = 99.818% kept HA HIS 22 - HB3 ASN 69 33.333% * 0.0970% (0.97 1.0 1.00 0.02 0.02) = 0.097% HA VAL 43 - HB3 ASN 69 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% Peak 775 (2.90, 2.81, 37.49 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.96, residual support = 49.1: * O T HB2 ASN 69 - HB3 ASN 69 25.000% * 99.8360% (1.00 10.0 10.00 3.97 49.18) = 99.836% kept HB2 ASP- 76 - HB3 ASN 69 25.000% * 0.0970% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB2 ASP- 78 - HB3 ASN 69 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QE LYS+ 66 - HB3 ASN 69 25.000% * 0.0184% (0.18 1.0 1.00 0.02 0.19) = 0.018% Peak 776 (2.81, 2.81, 37.49 ppm): 1 diagonal assignment: * HB3 ASN 69 - HB3 ASN 69 (1.00) kept Peak 777 (4.01, 4.01, 61.79 ppm): 2 diagonal assignments: * HA VAL 70 - HA VAL 70 (1.00) kept HB2 SER 82 - HB2 SER 82 (0.19) kept Peak 778 (2.20, 4.01, 61.79 ppm): 10 chemical-shift based assignments, quality = 0.989, support = 3.4, residual support = 56.1: * O T HB VAL 70 - HA VAL 70 10.000% * 83.6608% (1.00 10.0 10.00 4.00 66.98) = 83.661% kept T QG GLN 17 - HA VAL 70 10.000% * 13.8700% (0.99 1.0 10.00 0.34 0.83) = 13.870% kept HB2 GLU- 25 - HA VAL 70 10.000% * 1.6924% (0.92 1.0 1.00 0.44 0.02) = 1.692% kept T HB VAL 70 - HB2 SER 82 10.000% * 0.3254% (0.39 1.0 10.00 0.02 0.02) = 0.325% T QG GLN 17 - HB2 SER 82 10.000% * 0.3212% (0.38 1.0 10.00 0.02 0.02) = 0.321% HB2 MET 96 - HA VAL 70 10.000% * 0.0568% (0.68 1.0 1.00 0.02 0.02) = 0.057% HB2 GLU- 25 - HB2 SER 82 10.000% * 0.0300% (0.36 1.0 1.00 0.02 0.10) = 0.030% HB2 MET 96 - HB2 SER 82 10.000% * 0.0221% (0.26 1.0 1.00 0.02 0.02) = 0.022% HG2 GLU- 100 - HA VAL 70 10.000% * 0.0154% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG2 GLU- 100 - HB2 SER 82 10.000% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 779 (0.86, 4.01, 61.79 ppm): 12 chemical-shift based assignments, quality = 0.971, support = 3.51, residual support = 44.8: * O T QG1 VAL 70 - HA VAL 70 8.333% * 59.6935% (1.00 10.0 10.00 4.38 66.98) = 59.694% kept T QG1 VAL 18 - HA VAL 70 8.333% * 26.3576% (0.97 1.0 10.00 0.91 0.54) = 26.358% kept QD1 LEU 71 - HA VAL 70 8.333% * 13.2349% (0.89 1.0 1.00 4.98 35.28) = 13.235% kept T QG1 VAL 70 - HB2 SER 82 8.333% * 0.2321% (0.39 1.0 10.00 0.02 0.02) = 0.232% T QG1 VAL 18 - HB2 SER 82 8.333% * 0.2256% (0.38 1.0 10.00 0.02 0.02) = 0.226% HB3 LEU 63 - HA VAL 70 8.333% * 0.1110% (0.44 1.0 1.00 0.08 0.02) = 0.111% QD1 LEU 123 - HA VAL 70 8.333% * 0.0532% (0.89 1.0 1.00 0.02 0.02) = 0.053% HB3 LEU 104 - HA VAL 70 8.333% * 0.0291% (0.49 1.0 1.00 0.02 0.02) = 0.029% QD1 LEU 123 - HB2 SER 82 8.333% * 0.0207% (0.35 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 71 - HB2 SER 82 8.333% * 0.0207% (0.35 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 104 - HB2 SER 82 8.333% * 0.0113% (0.19 1.0 1.00 0.02 0.10) = 0.011% HB3 LEU 63 - HB2 SER 82 8.333% * 0.0102% (0.17 1.0 1.00 0.02 0.02) = 0.010% Peak 780 (0.19, 4.01, 61.79 ppm): 2 chemical-shift based assignments, quality = 0.723, support = 3.98, residual support = 66.7: * O T QG2 VAL 70 - HA VAL 70 50.000% * 99.6126% (0.73 10.0 10.00 4.00 66.98) = 99.613% kept T QG2 VAL 70 - HB2 SER 82 50.000% * 0.3874% (0.28 1.0 10.00 0.02 0.02) = 0.387% Peak 781 (4.01, 2.20, 34.17 ppm): 14 chemical-shift based assignments, quality = 0.962, support = 3.92, residual support = 64.8: * O T HA VAL 70 - HB VAL 70 7.143% * 95.0203% (1.00 10.0 10.00 4.00 66.98) = 95.020% kept HA VAL 18 - QG GLN 17 7.143% * 2.4075% (0.11 1.0 1.00 4.70 45.96) = 2.407% kept HA VAL 18 - HB VAL 70 7.143% * 1.5330% (0.58 1.0 1.00 0.55 0.54) = 1.533% kept T HB2 SER 82 - HB VAL 70 7.143% * 0.4625% (0.49 1.0 10.00 0.02 0.02) = 0.463% T HA VAL 70 - QG GLN 17 7.143% * 0.1758% (0.19 1.0 10.00 0.02 0.83) = 0.176% HA GLN 116 - HB VAL 70 7.143% * 0.0950% (1.00 1.0 1.00 0.02 0.02) = 0.095% T HB2 SER 82 - QG GLN 17 7.143% * 0.0856% (0.09 1.0 10.00 0.02 0.02) = 0.086% HA LYS+ 33 - HB VAL 70 7.143% * 0.0774% (0.81 1.0 1.00 0.02 0.02) = 0.077% HA GLU- 29 - HB VAL 70 7.143% * 0.0599% (0.63 1.0 1.00 0.02 0.02) = 0.060% HB2 SER 37 - HB VAL 70 7.143% * 0.0337% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA GLN 116 - QG GLN 17 7.143% * 0.0176% (0.19 1.0 1.00 0.02 0.12) = 0.018% HA LYS+ 33 - QG GLN 17 7.143% * 0.0143% (0.15 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 29 - QG GLN 17 7.143% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB2 SER 37 - QG GLN 17 7.143% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 782 (2.20, 2.20, 34.17 ppm): 2 diagonal assignments: * HB VAL 70 - HB VAL 70 (1.00) kept QG GLN 17 - QG GLN 17 (0.18) kept Peak 783 (0.86, 2.20, 34.17 ppm): 12 chemical-shift based assignments, quality = 0.954, support = 4.29, residual support = 57.7: * O T QG1 VAL 70 - HB VAL 70 8.333% * 75.0101% (1.00 10.0 10.00 4.29 66.98) = 75.010% kept QD1 LEU 71 - HB VAL 70 8.333% * 17.4472% (0.89 1.0 1.00 5.22 35.28) = 17.447% kept QG1 VAL 18 - HB VAL 70 8.333% * 4.5332% (0.97 1.0 1.00 1.24 0.54) = 4.533% kept QG1 VAL 18 - QG GLN 17 8.333% * 2.6966% (0.18 1.0 1.00 4.00 45.96) = 2.697% kept T QG1 VAL 70 - QG GLN 17 8.333% * 0.1388% (0.19 1.0 10.00 0.02 0.83) = 0.139% QD1 LEU 123 - HB VAL 70 8.333% * 0.0668% (0.89 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 104 - HB VAL 70 8.333% * 0.0365% (0.49 1.0 1.00 0.02 0.02) = 0.037% HB3 LEU 63 - HB VAL 70 8.333% * 0.0331% (0.44 1.0 1.00 0.02 0.02) = 0.033% QD1 LEU 123 - QG GLN 17 8.333% * 0.0124% (0.16 1.0 1.00 0.02 0.02) = 0.012% QD1 LEU 71 - QG GLN 17 8.333% * 0.0124% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 104 - QG GLN 17 8.333% * 0.0068% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 63 - QG GLN 17 8.333% * 0.0061% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 784 (0.19, 2.20, 34.17 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 3.99, residual support = 66.9: * O T QG2 VAL 70 - HB VAL 70 50.000% * 99.8153% (0.73 10.0 10.00 4.00 66.98) = 99.815% kept T QG2 VAL 70 - QG GLN 17 50.000% * 0.1847% (0.13 1.0 10.00 0.02 0.83) = 0.185% Peak 785 (4.01, 0.86, 24.07 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 4.32, residual support = 66.1: * O T HA VAL 70 - QG1 VAL 70 14.286% * 98.6689% (1.00 10.0 10.00 4.38 66.98) = 98.669% kept T HA VAL 18 - QG1 VAL 70 14.286% * 0.5745% (0.58 1.0 10.00 0.02 0.54) = 0.575% T HB2 SER 82 - QG1 VAL 70 14.286% * 0.4803% (0.49 1.0 10.00 0.02 0.02) = 0.480% HA GLN 116 - QG1 VAL 70 14.286% * 0.0987% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 33 - QG1 VAL 70 14.286% * 0.0804% (0.81 1.0 1.00 0.02 0.02) = 0.080% HA GLU- 29 - QG1 VAL 70 14.286% * 0.0622% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB2 SER 37 - QG1 VAL 70 14.286% * 0.0350% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 786 (2.20, 0.86, 24.07 ppm): 5 chemical-shift based assignments, quality = 0.988, support = 4.24, residual support = 66.2: * O T HB VAL 70 - QG1 VAL 70 20.000% * 98.8475% (1.00 10.0 10.00 4.29 66.98) = 98.848% kept T QG GLN 17 - QG1 VAL 70 20.000% * 0.9759% (0.99 1.0 10.00 0.02 0.83) = 0.976% HB2 GLU- 25 - QG1 VAL 70 20.000% * 0.0912% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 MET 96 - QG1 VAL 70 20.000% * 0.0671% (0.68 1.0 1.00 0.02 0.02) = 0.067% HG2 GLU- 100 - QG1 VAL 70 20.000% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 787 (0.86, 0.86, 24.07 ppm): 1 diagonal assignment: * QG1 VAL 70 - QG1 VAL 70 (1.00) kept Peak 788 (0.19, 0.86, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.37, residual support = 67.0: * O T QG2 VAL 70 - QG1 VAL 70 100.000% *100.0000% (0.73 10.0 10.00 4.37 66.98) = 100.000% kept Peak 789 (4.01, 0.19, 22.28 ppm): 7 chemical-shift based assignments, quality = 0.475, support = 3.88, residual support = 64.7: * O T HA VAL 70 - QG2 VAL 70 14.286% * 96.6229% (0.49 10.0 10.00 4.00 66.98) = 96.623% kept HA VAL 18 - QG2 VAL 70 14.286% * 1.8368% (0.28 1.0 1.00 0.65 0.54) = 1.837% kept HA GLN 116 - QG2 VAL 70 14.286% * 0.8961% (0.49 1.0 1.00 0.19 0.02) = 0.896% T HB2 SER 82 - QG2 VAL 70 14.286% * 0.4703% (0.24 1.0 10.00 0.02 0.02) = 0.470% HA LYS+ 33 - QG2 VAL 70 14.286% * 0.0787% (0.40 1.0 1.00 0.02 0.02) = 0.079% HA GLU- 29 - QG2 VAL 70 14.286% * 0.0609% (0.31 1.0 1.00 0.02 0.02) = 0.061% HB2 SER 37 - QG2 VAL 70 14.286% * 0.0343% (0.17 1.0 1.00 0.02 0.02) = 0.034% Peak 790 (2.20, 0.19, 22.28 ppm): 5 chemical-shift based assignments, quality = 0.481, support = 3.89, residual support = 65.0: * O T HB VAL 70 - QG2 VAL 70 20.000% * 97.0227% (0.49 10.0 10.00 4.00 66.98) = 97.023% kept HB2 GLU- 25 - QG2 VAL 70 20.000% * 1.9356% (0.45 1.0 1.00 0.43 0.02) = 1.936% kept T QG GLN 17 - QG2 VAL 70 20.000% * 0.9579% (0.48 1.0 10.00 0.02 0.83) = 0.958% HB2 MET 96 - QG2 VAL 70 20.000% * 0.0659% (0.33 1.0 1.00 0.02 0.02) = 0.066% HG2 GLU- 100 - QG2 VAL 70 20.000% * 0.0179% (0.09 1.0 1.00 0.02 0.02) = 0.018% Peak 791 (0.86, 0.19, 22.28 ppm): 6 chemical-shift based assignments, quality = 0.475, support = 4.47, residual support = 56.8: * O T QG1 VAL 70 - QG2 VAL 70 16.667% * 74.6168% (0.49 10.0 10.00 4.37 66.98) = 74.617% kept QD1 LEU 71 - QG2 VAL 70 16.667% * 19.2940% (0.43 1.0 1.00 5.80 35.28) = 19.294% kept QG1 VAL 18 - QG2 VAL 70 16.667% * 5.9535% (0.47 1.0 1.00 1.64 0.54) = 5.953% kept QD1 LEU 123 - QG2 VAL 70 16.667% * 0.0665% (0.43 1.0 1.00 0.02 0.02) = 0.066% HB3 LEU 104 - QG2 VAL 70 16.667% * 0.0363% (0.24 1.0 1.00 0.02 0.02) = 0.036% HB3 LEU 63 - QG2 VAL 70 16.667% * 0.0329% (0.21 1.0 1.00 0.02 0.02) = 0.033% Peak 792 (0.19, 0.19, 22.28 ppm): 1 diagonal assignment: * QG2 VAL 70 - QG2 VAL 70 (0.35) kept Peak 793 (4.65, 4.65, 54.05 ppm): 1 diagonal assignment: * HA LEU 71 - HA LEU 71 (1.00) kept Peak 794 (1.80, 4.65, 54.05 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.41, residual support = 130.7: * O T HB2 LEU 71 - HA LEU 71 14.286% * 99.6198% (1.00 10.0 10.00 5.43 131.16) = 99.620% kept QB LYS+ 65 - HA LEU 71 14.286% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - HA LEU 71 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 93 - HA LEU 71 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 GLN 17 - HA LEU 71 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 66 - HA LEU 71 14.286% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB VAL 41 - HA LEU 71 14.286% * 0.0212% (0.21 1.0 1.00 0.02 1.17) = 0.021% Peak 795 (1.20, 4.65, 54.05 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.42, residual support = 130.8: * O T HB3 LEU 71 - HA LEU 71 16.667% * 99.7248% (1.00 10.0 10.00 4.43 131.16) = 99.725% kept HD2 LYS+ 112 - HA LEU 71 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - HA LEU 71 16.667% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB3 LYS+ 112 - HA LEU 71 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 111 - HA LEU 71 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG12 ILE 89 - HA LEU 71 16.667% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 796 (0.86, 4.65, 54.05 ppm): 6 chemical-shift based assignments, quality = 0.973, support = 4.13, residual support = 114.7: * T QD1 LEU 71 - HA LEU 71 16.667% * 83.1477% (1.00 10.00 4.15 131.16) = 83.148% kept QG1 VAL 70 - HA LEU 71 16.667% * 15.8772% (0.89 1.00 4.29 35.28) = 15.877% kept QG1 VAL 18 - HA LEU 71 16.667% * 0.8102% (0.77 1.00 0.25 0.02) = 0.810% QD1 LEU 123 - HA LEU 71 16.667% * 0.0831% (1.00 1.00 0.02 0.02) = 0.083% HB3 LEU 104 - HA LEU 71 16.667% * 0.0642% (0.77 1.00 0.02 0.02) = 0.064% HB3 LEU 63 - HA LEU 71 16.667% * 0.0177% (0.21 1.00 0.02 0.02) = 0.018% Peak 797 (0.96, 4.65, 54.05 ppm): 7 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 123.8: * T QD2 LEU 71 - HA LEU 71 14.286% * 94.3566% (1.00 10.00 5.11 131.16) = 94.357% kept HG3 LYS+ 74 - HA LEU 71 14.286% * 4.1969% (0.58 1.00 1.53 1.99) = 4.197% kept QD1 ILE 103 - HA LEU 71 14.286% * 1.2721% (0.97 1.00 0.28 0.02) = 1.272% kept QG2 ILE 119 - HA LEU 71 14.286% * 0.0769% (0.81 1.00 0.02 0.14) = 0.077% QG2 ILE 103 - HA LEU 71 14.286% * 0.0416% (0.44 1.00 0.02 0.02) = 0.042% QD1 LEU 67 - HA LEU 71 14.286% * 0.0297% (0.31 1.00 0.02 0.02) = 0.030% QD2 LEU 40 - HA LEU 71 14.286% * 0.0262% (0.28 1.00 0.02 0.84) = 0.026% Peak 798 (4.65, 1.80, 44.15 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 131.1: * O T HA LEU 71 - HB2 LEU 71 50.000% * 99.9756% (1.00 10.0 10.00 5.43 131.16) = 99.976% kept HA ALA 20 - HB2 LEU 71 50.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 799 (1.80, 1.80, 44.15 ppm): 1 diagonal assignment: * HB2 LEU 71 - HB2 LEU 71 (1.00) kept Peak 800 (1.20, 1.80, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.96, residual support = 130.8: * O T HB3 LEU 71 - HB2 LEU 71 16.667% * 99.7248% (1.00 10.0 10.00 4.97 131.16) = 99.725% kept HD2 LYS+ 112 - HB2 LEU 71 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - HB2 LEU 71 16.667% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB3 LYS+ 112 - HB2 LEU 71 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 111 - HB2 LEU 71 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG12 ILE 89 - HB2 LEU 71 16.667% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 801 (0.86, 1.80, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.962, support = 4.92, residual support = 110.8: * O T QD1 LEU 71 - HB2 LEU 71 16.667% * 79.7165% (1.00 10.0 10.00 5.07 131.16) = 79.717% kept QG1 VAL 70 - HB2 LEU 71 16.667% * 17.5853% (0.89 1.0 1.00 4.95 35.28) = 17.585% kept QG1 VAL 18 - HB2 LEU 71 16.667% * 1.0815% (0.77 1.0 1.00 0.35 0.02) = 1.082% kept HB3 LEU 63 - HB2 LEU 71 16.667% * 0.9263% (0.21 1.0 1.00 1.09 0.02) = 0.926% QD1 LEU 123 - HB2 LEU 71 16.667% * 0.6288% (1.00 1.0 1.00 0.16 0.02) = 0.629% HB3 LEU 104 - HB2 LEU 71 16.667% * 0.0615% (0.77 1.0 1.00 0.02 0.02) = 0.062% Peak 802 (0.96, 1.80, 44.15 ppm): 7 chemical-shift based assignments, quality = 0.979, support = 5.29, residual support = 128.5: * O T QD2 LEU 71 - HB2 LEU 71 14.286% * 97.9407% (1.00 10.0 10.00 5.40 131.16) = 97.941% kept QD1 LEU 67 - HB2 LEU 71 14.286% * 0.9228% (0.31 1.0 1.00 0.60 0.02) = 0.923% QD2 LEU 40 - HB2 LEU 71 14.286% * 0.8614% (0.28 1.0 1.00 0.63 0.84) = 0.861% QD1 ILE 103 - HB2 LEU 71 14.286% * 0.0952% (0.97 1.0 1.00 0.02 0.02) = 0.095% QG2 ILE 119 - HB2 LEU 71 14.286% * 0.0798% (0.81 1.0 1.00 0.02 0.14) = 0.080% HG3 LYS+ 74 - HB2 LEU 71 14.286% * 0.0570% (0.58 1.0 1.00 0.02 1.99) = 0.057% QG2 ILE 103 - HB2 LEU 71 14.286% * 0.0432% (0.44 1.0 1.00 0.02 0.02) = 0.043% Peak 803 (4.65, 1.20, 44.15 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 131.1: * O T HA LEU 71 - HB3 LEU 71 50.000% * 99.9756% (1.00 10.0 10.00 4.43 131.16) = 99.976% kept HA ALA 20 - HB3 LEU 71 50.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 804 (1.80, 1.20, 44.15 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.96, residual support = 130.7: * O T HB2 LEU 71 - HB3 LEU 71 14.286% * 99.6198% (1.00 10.0 10.00 4.97 131.16) = 99.620% kept QB LYS+ 65 - HB3 LEU 71 14.286% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - HB3 LEU 71 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 93 - HB3 LEU 71 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 GLN 17 - HB3 LEU 71 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 66 - HB3 LEU 71 14.286% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB VAL 41 - HB3 LEU 71 14.286% * 0.0212% (0.21 1.0 1.00 0.02 1.17) = 0.021% Peak 805 (1.20, 1.20, 44.15 ppm): 1 diagonal assignment: * HB3 LEU 71 - HB3 LEU 71 (1.00) kept Peak 806 (0.86, 1.20, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.973, support = 3.89, residual support = 114.4: * O T QD1 LEU 71 - HB3 LEU 71 16.667% * 82.8607% (1.00 10.0 10.00 3.84 131.16) = 82.861% kept QG1 VAL 70 - HB3 LEU 71 16.667% * 16.1676% (0.89 1.0 1.00 4.38 35.28) = 16.168% kept QG1 VAL 18 - HB3 LEU 71 16.667% * 0.8074% (0.77 1.0 1.00 0.25 0.02) = 0.807% QD1 LEU 123 - HB3 LEU 71 16.667% * 0.0829% (1.00 1.0 1.00 0.02 0.02) = 0.083% HB3 LEU 104 - HB3 LEU 71 16.667% * 0.0639% (0.77 1.0 1.00 0.02 0.02) = 0.064% HB3 LEU 63 - HB3 LEU 71 16.667% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% Peak 807 (0.96, 1.20, 44.15 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.39, residual support = 130.7: * O T QD2 LEU 71 - HB3 LEU 71 14.286% * 99.6609% (1.00 10.0 10.00 4.40 131.16) = 99.661% kept QD1 ILE 103 - HB3 LEU 71 14.286% * 0.0968% (0.97 1.0 1.00 0.02 0.02) = 0.097% QG2 ILE 119 - HB3 LEU 71 14.286% * 0.0812% (0.81 1.0 1.00 0.02 0.14) = 0.081% HG3 LYS+ 74 - HB3 LEU 71 14.286% * 0.0580% (0.58 1.0 1.00 0.02 1.99) = 0.058% QG2 ILE 103 - HB3 LEU 71 14.286% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD1 LEU 67 - HB3 LEU 71 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% QD2 LEU 40 - HB3 LEU 71 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.84) = 0.028% Peak 808 (4.65, 0.86, 26.50 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 4.15, residual support = 130.9: * T HA LEU 71 - QD1 LEU 71 50.000% * 99.8274% (1.00 10.00 4.15 131.16) = 99.827% kept HA ALA 20 - QD1 LEU 71 50.000% * 0.1726% (0.24 1.00 0.14 0.02) = 0.173% Peak 809 (1.80, 0.86, 26.50 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.05, residual support = 130.7: * O T HB2 LEU 71 - QD1 LEU 71 14.286% * 99.6198% (1.00 10.0 10.00 5.07 131.16) = 99.620% kept QB LYS+ 65 - QD1 LEU 71 14.286% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - QD1 LEU 71 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 93 - QD1 LEU 71 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 GLN 17 - QD1 LEU 71 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 66 - QD1 LEU 71 14.286% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB VAL 41 - QD1 LEU 71 14.286% * 0.0212% (0.21 1.0 1.00 0.02 1.17) = 0.021% Peak 810 (1.20, 0.86, 26.50 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.83, residual support = 130.8: * O T HB3 LEU 71 - QD1 LEU 71 16.667% * 99.7248% (1.00 10.0 10.00 3.84 131.16) = 99.725% kept HD2 LYS+ 112 - QD1 LEU 71 16.667% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - QD1 LEU 71 16.667% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB3 LYS+ 112 - QD1 LEU 71 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 111 - QD1 LEU 71 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG12 ILE 89 - QD1 LEU 71 16.667% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 811 (0.86, 0.86, 26.50 ppm): 1 diagonal assignment: * QD1 LEU 71 - QD1 LEU 71 (1.00) kept Peak 812 (0.96, 0.86, 26.50 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 4.19, residual support = 129.3: * O T QD2 LEU 71 - QD1 LEU 71 14.286% * 98.5692% (1.00 10.0 10.00 4.24 131.16) = 98.569% kept QD2 LEU 40 - QD1 LEU 71 14.286% * 1.1228% (0.28 1.0 1.00 0.82 0.84) = 1.123% kept QD1 ILE 103 - QD1 LEU 71 14.286% * 0.0958% (0.97 1.0 1.00 0.02 0.02) = 0.096% QG2 ILE 119 - QD1 LEU 71 14.286% * 0.0803% (0.81 1.0 1.00 0.02 0.14) = 0.080% HG3 LYS+ 74 - QD1 LEU 71 14.286% * 0.0574% (0.58 1.0 1.00 0.02 1.99) = 0.057% QG2 ILE 103 - QD1 LEU 71 14.286% * 0.0434% (0.44 1.0 1.00 0.02 0.02) = 0.043% QD1 LEU 67 - QD1 LEU 71 14.286% * 0.0310% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 813 (4.65, 0.96, 23.45 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 131.1: * T HA LEU 71 - QD2 LEU 71 50.000% * 99.9756% (1.00 10.00 5.11 131.16) = 99.976% kept HA ALA 20 - QD2 LEU 71 50.000% * 0.0244% (0.24 1.00 0.02 0.02) = 0.024% Peak 814 (1.80, 0.96, 23.45 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.38, residual support = 130.7: * O T HB2 LEU 71 - QD2 LEU 71 14.286% * 99.6198% (1.00 10.0 10.00 5.40 131.16) = 99.620% kept QB LYS+ 65 - QD2 LEU 71 14.286% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - QD2 LEU 71 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 93 - QD2 LEU 71 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 GLN 17 - QD2 LEU 71 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 66 - QD2 LEU 71 14.286% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB VAL 41 - QD2 LEU 71 14.286% * 0.0212% (0.21 1.0 1.00 0.02 1.17) = 0.021% Peak 815 (1.20, 0.96, 23.45 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 4.38, residual support = 130.4: * O T HB3 LEU 71 - QD2 LEU 71 16.667% * 99.4437% (1.00 10.0 10.00 4.40 131.16) = 99.444% kept T HG3 LYS+ 111 - QD2 LEU 71 16.667% * 0.3132% (0.31 1.0 10.00 0.02 0.02) = 0.313% HD2 LYS+ 112 - QD2 LEU 71 16.667% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - QD2 LEU 71 16.667% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB3 LYS+ 112 - QD2 LEU 71 16.667% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG12 ILE 89 - QD2 LEU 71 16.667% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 816 (0.86, 0.96, 23.45 ppm): 6 chemical-shift based assignments, quality = 0.973, support = 4.22, residual support = 114.5: * O T QD1 LEU 71 - QD2 LEU 71 16.667% * 82.9542% (1.00 10.0 10.00 4.24 131.16) = 82.954% kept QG1 VAL 70 - QD2 LEU 71 16.667% * 16.0778% (0.89 1.0 1.00 4.35 35.28) = 16.078% kept QG1 VAL 18 - QD2 LEU 71 16.667% * 0.8034% (0.77 1.0 1.00 0.25 0.02) = 0.803% QD1 LEU 123 - QD2 LEU 71 16.667% * 0.0830% (1.00 1.0 1.00 0.02 0.02) = 0.083% HB3 LEU 104 - QD2 LEU 71 16.667% * 0.0640% (0.77 1.0 1.00 0.02 0.02) = 0.064% HB3 LEU 63 - QD2 LEU 71 16.667% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% Peak 817 (0.96, 0.96, 23.45 ppm): 1 diagonal assignment: * QD2 LEU 71 - QD2 LEU 71 (1.00) kept Peak 818 (5.27, 5.27, 56.60 ppm): 1 diagonal assignment: * HA PHE 72 - HA PHE 72 (0.46) kept Peak 819 (2.83, 5.27, 56.60 ppm): 3 chemical-shift based assignments, quality = 0.518, support = 3.72, residual support = 76.9: * O T HB2 PHE 72 - HA PHE 72 33.333% * 94.4172% (0.52 10.0 10.00 3.85 78.89) = 94.417% kept HA ALA 64 - HA PHE 72 33.333% * 5.5530% (0.43 1.0 1.00 1.44 43.05) = 5.553% kept HB3 ASN 69 - HA PHE 72 33.333% * 0.0298% (0.17 1.0 1.00 0.02 0.02) = 0.030% Peak 820 (2.28, 5.27, 56.60 ppm): 7 chemical-shift based assignments, quality = 0.553, support = 4.29, residual support = 76.4: * O T HB3 PHE 72 - HA PHE 72 14.286% * 96.8495% (0.55 10.0 10.00 4.42 78.89) = 96.849% kept HB2 ASP- 44 - HA PHE 72 14.286% * 2.7172% (0.63 1.0 1.00 0.50 0.02) = 2.717% kept QG GLU- 15 - HA PHE 72 14.286% * 0.1173% (0.67 1.0 1.00 0.02 0.02) = 0.117% QG GLU- 14 - HA PHE 72 14.286% * 0.1059% (0.61 1.0 1.00 0.02 0.02) = 0.106% QG GLN 90 - HA PHE 72 14.286% * 0.0863% (0.49 1.0 1.00 0.02 0.02) = 0.086% QB MET 11 - HA PHE 72 14.286% * 0.0863% (0.49 1.0 1.00 0.02 0.02) = 0.086% HG12 ILE 119 - HA PHE 72 14.286% * 0.0374% (0.21 1.0 1.00 0.02 2.61) = 0.037% Peak 821 (5.27, 2.83, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.524, support = 3.85, residual support = 78.9: * O T HA PHE 72 - HB2 PHE 72 100.000% *100.0000% (0.52 10.0 10.00 3.85 78.89) = 100.000% kept Peak 822 (2.83, 2.83, 40.30 ppm): 1 diagonal assignment: * HB2 PHE 72 - HB2 PHE 72 (0.60) kept Peak 823 (2.28, 2.83, 40.30 ppm): 7 chemical-shift based assignments, quality = 0.625, support = 3.79, residual support = 78.5: * O T HB3 PHE 72 - HB2 PHE 72 14.286% * 99.4424% (0.63 10.0 10.00 3.81 78.89) = 99.442% kept QG GLU- 15 - HB2 PHE 72 14.286% * 0.1205% (0.76 1.0 1.00 0.02 0.02) = 0.120% HB2 ASP- 44 - HB2 PHE 72 14.286% * 0.1127% (0.71 1.0 1.00 0.02 0.02) = 0.113% QG GLU- 14 - HB2 PHE 72 14.286% * 0.1088% (0.69 1.0 1.00 0.02 0.02) = 0.109% QG GLN 90 - HB2 PHE 72 14.286% * 0.0886% (0.56 1.0 1.00 0.02 0.02) = 0.089% QB MET 11 - HB2 PHE 72 14.286% * 0.0886% (0.56 1.0 1.00 0.02 0.02) = 0.089% HG12 ILE 119 - HB2 PHE 72 14.286% * 0.0384% (0.24 1.0 1.00 0.02 2.61) = 0.038% Peak 824 (5.27, 2.28, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.553, support = 4.42, residual support = 78.9: * O T HA PHE 72 - HB3 PHE 72 100.000% *100.0000% (0.55 10.0 10.00 4.42 78.89) = 100.000% kept Peak 825 (2.83, 2.28, 40.30 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 3.71, residual support = 75.2: * O T HB2 PHE 72 - HB3 PHE 72 33.333% * 89.8402% (0.63 10.0 10.00 3.81 78.89) = 89.840% kept HA ALA 64 - HB3 PHE 72 33.333% * 10.1314% (0.51 1.0 1.00 2.76 43.05) = 10.131% kept HB3 ASN 69 - HB3 PHE 72 33.333% * 0.0284% (0.20 1.0 1.00 0.02 0.02) = 0.028% Peak 826 (2.28, 2.28, 40.30 ppm): 1 diagonal assignment: * HB3 PHE 72 - HB3 PHE 72 (0.66) kept Peak 827 (5.57, 5.57, 52.40 ppm): 1 diagonal assignment: * HA LEU 73 - HA LEU 73 (1.00) kept Peak 828 (1.70, 5.57, 52.40 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 4.97, residual support = 123.2: * O T HB2 LEU 73 - HA LEU 73 11.111% * 99.4924% (1.00 10.0 10.00 5.00 123.80) = 99.492% kept HB3 MET 92 - HA LEU 73 11.111% * 0.0945% (0.95 1.0 1.00 0.02 0.02) = 0.095% QD LYS+ 106 - HA LEU 73 11.111% * 0.0918% (0.92 1.0 1.00 0.02 0.74) = 0.092% QD LYS+ 99 - HA LEU 73 11.111% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% HD2 LYS+ 111 - HA LEU 73 11.111% * 0.0851% (0.85 1.0 1.00 0.02 0.13) = 0.085% HB2 LEU 123 - HA LEU 73 11.111% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 PRO 93 - HA LEU 73 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% QD LYS+ 102 - HA LEU 73 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QG1 ILE 56 - HA LEU 73 11.111% * 0.0183% (0.18 1.0 1.00 0.02 0.45) = 0.018% Peak 829 (1.38, 5.57, 52.40 ppm): 12 chemical-shift based assignments, quality = 0.994, support = 4.76, residual support = 119.0: * O T HB3 LEU 73 - HA LEU 73 8.333% * 96.0461% (1.00 10.0 10.00 4.94 123.80) = 96.046% kept HB VAL 42 - HA LEU 73 8.333% * 2.2376% (0.99 1.0 1.00 0.47 1.44) = 2.238% kept HB2 LYS+ 112 - HA LEU 73 8.333% * 1.2174% (0.97 1.0 1.00 0.26 2.51) = 1.217% kept HG3 LYS+ 102 - HA LEU 73 8.333% * 0.0957% (1.00 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 65 - HA LEU 73 8.333% * 0.0948% (0.99 1.0 1.00 0.02 0.02) = 0.095% HG3 LYS+ 33 - HA LEU 73 8.333% * 0.0913% (0.95 1.0 1.00 0.02 0.02) = 0.091% HG3 LYS+ 106 - HA LEU 73 8.333% * 0.0856% (0.89 1.0 1.00 0.02 0.74) = 0.086% QB ALA 12 - HA LEU 73 8.333% * 0.0513% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB3 PRO 93 - HA LEU 73 8.333% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% QB LEU 98 - HA LEU 73 8.333% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% QB ALA 84 - HA LEU 73 8.333% * 0.0204% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG LEU 98 - HA LEU 73 8.333% * 0.0130% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 830 (0.58, 5.57, 52.40 ppm): 6 chemical-shift based assignments, quality = 0.94, support = 3.51, residual support = 72.5: * T QD1 LEU 73 - HA LEU 73 16.667% * 56.5423% (1.00 10.00 5.38 123.80) = 56.542% kept T QD1 LEU 63 - HA LEU 73 16.667% * 32.8642% (1.00 10.00 1.16 7.26) = 32.864% kept T QD1 LEU 104 - HA LEU 73 16.667% * 8.8218% (0.44 10.00 0.71 0.02) = 8.822% kept QD2 LEU 63 - HA LEU 73 16.667% * 1.6870% (0.44 1.00 1.35 7.26) = 1.687% kept QD2 LEU 115 - HA LEU 73 16.667% * 0.0436% (0.77 1.00 0.02 0.02) = 0.044% QD2 LEU 80 - HA LEU 73 16.667% * 0.0411% (0.73 1.00 0.02 0.02) = 0.041% Peak 831 (0.78, 5.57, 52.40 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 5.21, residual support = 106.1: * T QD2 LEU 73 - HA LEU 73 16.667% * 85.6600% (1.00 10.00 5.93 123.80) = 85.660% kept T HG3 LYS+ 121 - HA LEU 73 16.667% * 6.2725% (0.21 10.00 0.69 0.02) = 6.272% kept HG LEU 31 - HA LEU 73 16.667% * 5.4218% (0.95 1.00 1.33 0.74) = 5.422% kept QD1 ILE 56 - HA LEU 73 16.667% * 2.6052% (0.85 1.00 0.71 0.45) = 2.605% kept QG1 VAL 41 - HA LEU 73 16.667% * 0.0270% (0.31 1.00 0.02 0.02) = 0.027% QG1 VAL 43 - HA LEU 73 16.667% * 0.0136% (0.16 1.00 0.02 2.21) = 0.014% Peak 832 (5.57, 1.70, 46.21 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 123.8: * O T HA LEU 73 - HB2 LEU 73 100.000% *100.0000% (1.00 10.0 10.00 5.00 123.80) = 100.000% kept Peak 833 (1.70, 1.70, 46.21 ppm): 1 diagonal assignment: * HB2 LEU 73 - HB2 LEU 73 (1.00) kept Peak 834 (1.38, 1.70, 46.21 ppm): 12 chemical-shift based assignments, quality = 0.961, support = 4.29, residual support = 112.9: * O T HB3 LEU 73 - HB2 LEU 73 8.333% * 91.0984% (1.00 10.0 10.00 4.67 123.80) = 91.098% kept HB VAL 42 - HB2 LEU 73 8.333% * 3.9374% (0.99 1.0 1.00 0.88 1.44) = 3.937% kept HB2 LYS+ 112 - HB2 LEU 73 8.333% * 1.1547% (0.97 1.0 1.00 0.26 2.51) = 1.155% kept T HG3 LYS+ 102 - HB2 LEU 73 8.333% * 0.9081% (1.00 1.0 10.00 0.02 0.02) = 0.908% T HG3 LYS+ 65 - HB2 LEU 73 8.333% * 0.8994% (0.99 1.0 10.00 0.02 0.02) = 0.899% T HG3 LYS+ 33 - HB2 LEU 73 8.333% * 0.8655% (0.95 1.0 10.00 0.02 0.02) = 0.866% T HG3 LYS+ 106 - HB2 LEU 73 8.333% * 0.8119% (0.89 1.0 10.00 0.02 0.74) = 0.812% T HB3 PRO 93 - HB2 LEU 73 8.333% * 0.2221% (0.24 1.0 10.00 0.02 0.02) = 0.222% QB ALA 12 - HB2 LEU 73 8.333% * 0.0487% (0.53 1.0 1.00 0.02 0.02) = 0.049% QB LEU 98 - HB2 LEU 73 8.333% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% QB ALA 84 - HB2 LEU 73 8.333% * 0.0194% (0.21 1.0 1.00 0.02 0.02) = 0.019% HG LEU 98 - HB2 LEU 73 8.333% * 0.0123% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 835 (0.58, 1.70, 46.21 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 3.23, residual support = 65.3: * O T QD1 LEU 73 - HB2 LEU 73 16.667% * 50.3662% (1.00 10.0 10.00 4.98 123.80) = 50.366% kept T QD1 LEU 63 - HB2 LEU 73 16.667% * 40.0446% (1.00 1.0 10.00 1.59 7.26) = 40.045% kept T QD1 LEU 104 - HB2 LEU 73 16.667% * 9.4916% (0.44 1.0 10.00 0.86 0.02) = 9.492% kept QD2 LEU 115 - HB2 LEU 73 16.667% * 0.0389% (0.77 1.0 1.00 0.02 0.02) = 0.039% QD2 LEU 80 - HB2 LEU 73 16.667% * 0.0366% (0.73 1.0 1.00 0.02 0.02) = 0.037% QD2 LEU 63 - HB2 LEU 73 16.667% * 0.0222% (0.44 1.0 1.00 0.02 7.26) = 0.022% Peak 836 (0.78, 1.70, 46.21 ppm): 6 chemical-shift based assignments, quality = 0.923, support = 4.12, residual support = 86.9: * O T QD2 LEU 73 - HB2 LEU 73 16.667% * 70.0703% (1.00 10.0 10.00 5.56 123.80) = 70.070% kept T QD1 ILE 56 - HB2 LEU 73 16.667% * 21.3104% (0.85 1.0 10.00 0.71 0.45) = 21.310% kept T HG3 LYS+ 121 - HB2 LEU 73 16.667% * 5.6670% (0.21 1.0 10.00 0.76 0.02) = 5.667% kept HG LEU 31 - HB2 LEU 73 16.667% * 2.9191% (0.95 1.0 1.00 0.88 0.74) = 2.919% kept QG1 VAL 41 - HB2 LEU 73 16.667% * 0.0221% (0.31 1.0 1.00 0.02 0.02) = 0.022% QG1 VAL 43 - HB2 LEU 73 16.667% * 0.0111% (0.16 1.0 1.00 0.02 2.21) = 0.011% Peak 837 (5.57, 1.38, 46.21 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.94, residual support = 123.8: * O T HA LEU 73 - HB3 LEU 73 100.000% *100.0000% (1.00 10.0 10.00 4.94 123.80) = 100.000% kept Peak 838 (1.70, 1.38, 46.21 ppm): 9 chemical-shift based assignments, quality = 0.985, support = 4.36, residual support = 115.3: * O T HB2 LEU 73 - HB3 LEU 73 11.111% * 93.1590% (1.00 10.0 10.00 4.67 123.80) = 93.159% kept T HD2 LYS+ 111 - HB3 LEU 73 11.111% * 6.2122% (0.85 1.0 10.00 0.16 0.13) = 6.212% kept T QD LYS+ 102 - HB3 LEU 73 11.111% * 0.2590% (0.28 1.0 10.00 0.02 0.02) = 0.259% HB3 MET 92 - HB3 LEU 73 11.111% * 0.0885% (0.95 1.0 1.00 0.02 0.02) = 0.089% QD LYS+ 106 - HB3 LEU 73 11.111% * 0.0860% (0.92 1.0 1.00 0.02 0.74) = 0.086% QD LYS+ 99 - HB3 LEU 73 11.111% * 0.0830% (0.89 1.0 1.00 0.02 0.02) = 0.083% HB2 LEU 123 - HB3 LEU 73 11.111% * 0.0498% (0.53 1.0 1.00 0.02 0.02) = 0.050% HG3 PRO 93 - HB3 LEU 73 11.111% * 0.0453% (0.49 1.0 1.00 0.02 0.02) = 0.045% QG1 ILE 56 - HB3 LEU 73 11.111% * 0.0171% (0.18 1.0 1.00 0.02 0.45) = 0.017% Peak 839 (1.38, 1.38, 46.21 ppm): 1 diagonal assignment: * HB3 LEU 73 - HB3 LEU 73 (1.00) kept Peak 840 (0.58, 1.38, 46.21 ppm): 6 chemical-shift based assignments, quality = 0.942, support = 3.02, residual support = 66.4: * O T QD1 LEU 73 - HB3 LEU 73 16.667% * 51.5546% (1.00 10.0 10.00 4.76 123.80) = 51.555% kept T QD1 LEU 63 - HB3 LEU 73 16.667% * 35.9462% (1.00 1.0 10.00 1.39 7.26) = 35.946% kept T QD1 LEU 104 - HB3 LEU 73 16.667% * 8.2684% (0.44 1.0 10.00 0.73 0.02) = 8.268% kept T QD2 LEU 80 - HB3 LEU 73 16.667% * 4.1682% (0.73 1.0 10.00 0.22 0.02) = 4.168% kept QD2 LEU 115 - HB3 LEU 73 16.667% * 0.0398% (0.77 1.0 1.00 0.02 0.02) = 0.040% QD2 LEU 63 - HB3 LEU 73 16.667% * 0.0227% (0.44 1.0 1.00 0.02 7.26) = 0.023% Peak 841 (0.78, 1.38, 46.21 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 5.0, residual support = 108.2: * O T QD2 LEU 73 - HB3 LEU 73 16.667% * 87.3749% (1.00 10.0 10.00 5.62 123.80) = 87.375% kept T HG3 LYS+ 121 - HB3 LEU 73 16.667% * 5.6279% (0.21 1.0 10.00 0.61 0.02) = 5.628% kept HG LEU 31 - HB3 LEU 73 16.667% * 3.6776% (0.95 1.0 1.00 0.89 0.74) = 3.678% kept QD1 ILE 56 - HB3 LEU 73 16.667% * 3.1538% (0.85 1.0 1.00 0.84 0.45) = 3.154% kept T QG1 VAL 43 - HB3 LEU 73 16.667% * 0.1383% (0.16 1.0 10.00 0.02 2.21) = 0.138% QG1 VAL 41 - HB3 LEU 73 16.667% * 0.0275% (0.31 1.0 1.00 0.02 0.02) = 0.028% Peak 842 (5.57, 0.58, 26.34 ppm): 3 chemical-shift based assignments, quality = 0.967, support = 3.7, residual support = 77.7: * T HA LEU 73 - QD1 LEU 73 33.333% * 60.6543% (1.00 10.00 5.38 123.80) = 60.654% kept T HA LEU 73 - QD1 LEU 63 33.333% * 35.2542% (1.00 10.00 1.16 7.26) = 35.254% kept T HA LEU 73 - QD1 LEU 104 33.333% * 4.0915% (0.19 10.00 0.71 0.02) = 4.092% kept Peak 843 (1.70, 0.58, 26.34 ppm): 27 chemical-shift based assignments, quality = 0.986, support = 3.43, residual support = 71.2: * O T HB2 LEU 73 - QD1 LEU 73 3.704% * 54.9554% (1.00 10.0 10.00 4.98 123.80) = 54.955% kept T HB2 LEU 73 - QD1 LEU 63 3.704% * 43.6933% (1.00 1.0 10.00 1.59 7.26) = 43.693% kept QD LYS+ 106 - QD1 LEU 73 3.704% * 0.5249% (0.92 1.0 1.00 0.21 0.74) = 0.525% QD LYS+ 99 - QD1 LEU 73 3.704% * 0.2071% (0.89 1.0 1.00 0.08 0.02) = 0.207% T HB2 LEU 73 - QD1 LEU 104 3.704% * 0.1047% (0.19 1.0 10.00 0.02 0.02) = 0.105% HB3 MET 92 - QD1 LEU 73 3.704% * 0.0522% (0.95 1.0 1.00 0.02 0.02) = 0.052% HB3 MET 92 - QD1 LEU 63 3.704% * 0.0522% (0.95 1.0 1.00 0.02 0.02) = 0.052% QD LYS+ 106 - QD1 LEU 63 3.704% * 0.0507% (0.92 1.0 1.00 0.02 0.02) = 0.051% QD LYS+ 99 - QD1 LEU 63 3.704% * 0.0490% (0.89 1.0 1.00 0.02 0.02) = 0.049% HD2 LYS+ 111 - QD1 LEU 63 3.704% * 0.0470% (0.85 1.0 1.00 0.02 0.12) = 0.047% HD2 LYS+ 111 - QD1 LEU 73 3.704% * 0.0470% (0.85 1.0 1.00 0.02 0.13) = 0.047% HB2 LEU 123 - QD1 LEU 73 3.704% * 0.0294% (0.53 1.0 1.00 0.02 0.02) = 0.029% HB2 LEU 123 - QD1 LEU 63 3.704% * 0.0294% (0.53 1.0 1.00 0.02 0.02) = 0.029% HG3 PRO 93 - QD1 LEU 63 3.704% * 0.0267% (0.49 1.0 1.00 0.02 0.32) = 0.027% HG3 PRO 93 - QD1 LEU 73 3.704% * 0.0267% (0.49 1.0 1.00 0.02 0.02) = 0.027% QD LYS+ 102 - QD1 LEU 73 3.704% * 0.0153% (0.28 1.0 1.00 0.02 0.02) = 0.015% QD LYS+ 102 - QD1 LEU 63 3.704% * 0.0153% (0.28 1.0 1.00 0.02 0.02) = 0.015% QG1 ILE 56 - QD1 LEU 63 3.704% * 0.0101% (0.18 1.0 1.00 0.02 0.02) = 0.010% QG1 ILE 56 - QD1 LEU 73 3.704% * 0.0101% (0.18 1.0 1.00 0.02 0.45) = 0.010% HB3 MET 92 - QD1 LEU 104 3.704% * 0.0100% (0.18 1.0 1.00 0.02 0.02) = 0.010% QD LYS+ 106 - QD1 LEU 104 3.704% * 0.0097% (0.18 1.0 1.00 0.02 1.45) = 0.010% QD LYS+ 99 - QD1 LEU 104 3.704% * 0.0093% (0.17 1.0 1.00 0.02 9.59) = 0.009% HD2 LYS+ 111 - QD1 LEU 104 3.704% * 0.0090% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB2 LEU 123 - QD1 LEU 104 3.704% * 0.0056% (0.10 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 93 - QD1 LEU 104 3.704% * 0.0051% (0.09 1.0 1.00 0.02 0.02) = 0.005% QD LYS+ 102 - QD1 LEU 104 3.704% * 0.0029% (0.05 1.0 1.00 0.02 0.12) = 0.003% QG1 ILE 56 - QD1 LEU 104 3.704% * 0.0019% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 844 (1.38, 0.58, 26.34 ppm): 36 chemical-shift based assignments, quality = 0.977, support = 3.23, residual support = 71.4: * O T HB3 LEU 73 - QD1 LEU 73 2.778% * 55.3951% (1.00 10.0 10.00 4.76 123.80) = 55.395% kept T HB3 LEU 73 - QD1 LEU 63 2.778% * 38.6239% (1.00 1.0 10.00 1.39 7.26) = 38.624% kept HB VAL 42 - QD1 LEU 73 2.778% * 3.7707% (0.99 1.0 1.00 1.38 1.44) = 3.771% kept HB2 LYS+ 112 - QD1 LEU 73 2.778% * 0.7021% (0.97 1.0 1.00 0.26 2.51) = 0.702% HB VAL 42 - QD1 LEU 63 2.778% * 0.5566% (0.99 1.0 1.00 0.20 0.02) = 0.557% HG LEU 98 - QD1 LEU 63 2.778% * 0.1487% (0.14 1.0 1.00 0.40 0.02) = 0.149% T HB3 LEU 73 - QD1 LEU 104 2.778% * 0.1056% (0.19 1.0 10.00 0.02 0.02) = 0.106% HG3 LYS+ 102 - QD1 LEU 73 2.778% * 0.0552% (1.00 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 102 - QD1 LEU 63 2.778% * 0.0552% (1.00 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 65 - QD1 LEU 73 2.778% * 0.0547% (0.99 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 65 - QD1 LEU 63 2.778% * 0.0547% (0.99 1.0 1.00 0.02 1.42) = 0.055% HB2 LYS+ 112 - QD1 LEU 63 2.778% * 0.0538% (0.97 1.0 1.00 0.02 0.23) = 0.054% HG3 LYS+ 33 - QD1 LEU 63 2.778% * 0.0526% (0.95 1.0 1.00 0.02 0.02) = 0.053% HG3 LYS+ 33 - QD1 LEU 73 2.778% * 0.0526% (0.95 1.0 1.00 0.02 0.02) = 0.053% HG3 LYS+ 106 - QD1 LEU 63 2.778% * 0.0494% (0.89 1.0 1.00 0.02 0.02) = 0.049% HG3 LYS+ 106 - QD1 LEU 73 2.778% * 0.0494% (0.89 1.0 1.00 0.02 0.74) = 0.049% QB ALA 12 - QD1 LEU 63 2.778% * 0.0296% (0.53 1.0 1.00 0.02 0.02) = 0.030% QB ALA 12 - QD1 LEU 73 2.778% * 0.0296% (0.53 1.0 1.00 0.02 0.02) = 0.030% QB LEU 98 - QD1 LEU 73 2.778% * 0.0135% (0.24 1.0 1.00 0.02 0.02) = 0.014% QB LEU 98 - QD1 LEU 63 2.778% * 0.0135% (0.24 1.0 1.00 0.02 0.02) = 0.014% HB3 PRO 93 - QD1 LEU 63 2.778% * 0.0135% (0.24 1.0 1.00 0.02 0.32) = 0.014% HB3 PRO 93 - QD1 LEU 73 2.778% * 0.0135% (0.24 1.0 1.00 0.02 0.02) = 0.014% QB ALA 84 - QD1 LEU 73 2.778% * 0.0118% (0.21 1.0 1.00 0.02 0.02) = 0.012% QB ALA 84 - QD1 LEU 63 2.778% * 0.0118% (0.21 1.0 1.00 0.02 0.11) = 0.012% HG3 LYS+ 102 - QD1 LEU 104 2.778% * 0.0105% (0.19 1.0 1.00 0.02 0.12) = 0.011% HG3 LYS+ 65 - QD1 LEU 104 2.778% * 0.0104% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB VAL 42 - QD1 LEU 104 2.778% * 0.0104% (0.19 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 112 - QD1 LEU 104 2.778% * 0.0103% (0.19 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 33 - QD1 LEU 104 2.778% * 0.0100% (0.18 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 106 - QD1 LEU 104 2.778% * 0.0094% (0.17 1.0 1.00 0.02 1.45) = 0.009% HG LEU 98 - QD1 LEU 73 2.778% * 0.0075% (0.14 1.0 1.00 0.02 0.02) = 0.007% QB ALA 12 - QD1 LEU 104 2.778% * 0.0056% (0.10 1.0 1.00 0.02 0.02) = 0.006% QB LEU 98 - QD1 LEU 104 2.778% * 0.0026% (0.05 1.0 1.00 0.02 10.38) = 0.003% HB3 PRO 93 - QD1 LEU 104 2.778% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% QB ALA 84 - QD1 LEU 104 2.778% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% HG LEU 98 - QD1 LEU 104 2.778% * 0.0014% (0.03 1.0 1.00 0.02 10.38) = 0.001% Peak 845 (0.58, 0.58, 26.34 ppm): 3 diagonal assignments: * QD1 LEU 73 - QD1 LEU 73 (1.00) kept QD1 LEU 63 - QD1 LEU 63 (1.00) kept QD1 LEU 104 - QD1 LEU 104 (0.08) kept Peak 846 (0.78, 0.58, 26.34 ppm): 18 chemical-shift based assignments, quality = 0.924, support = 3.42, residual support = 58.1: * O T QD2 LEU 73 - QD1 LEU 73 5.556% * 44.4228% (1.00 10.0 10.00 5.62 123.80) = 44.423% kept T QD2 LEU 73 - QD1 LEU 63 5.556% * 41.7615% (1.00 1.0 10.00 1.88 7.26) = 41.761% kept T QD2 LEU 73 - QD1 LEU 104 5.556% * 4.2151% (0.19 1.0 10.00 1.00 0.02) = 4.215% kept HG LEU 31 - QD1 LEU 73 5.556% * 3.3696% (0.95 1.0 1.00 1.60 0.74) = 3.370% kept T HG3 LYS+ 121 - QD1 LEU 73 5.556% * 3.0643% (0.21 1.0 10.00 0.65 0.02) = 3.064% kept QD1 ILE 56 - QD1 LEU 73 5.556% * 1.8258% (0.85 1.0 1.00 0.96 0.45) = 1.826% kept T QG1 VAL 41 - QD1 LEU 73 5.556% * 0.9750% (0.31 1.0 10.00 0.14 0.02) = 0.975% T QG1 VAL 41 - QD1 LEU 63 5.556% * 0.1399% (0.31 1.0 10.00 0.02 0.02) = 0.140% T HG3 LYS+ 121 - QD1 LEU 63 5.556% * 0.0944% (0.21 1.0 10.00 0.02 0.02) = 0.094% HG LEU 31 - QD1 LEU 63 5.556% * 0.0422% (0.95 1.0 1.00 0.02 0.02) = 0.042% QD1 ILE 56 - QD1 LEU 63 5.556% * 0.0380% (0.85 1.0 1.00 0.02 0.02) = 0.038% T HG3 LYS+ 121 - QD1 LEU 104 5.556% * 0.0180% (0.04 1.0 10.00 0.02 0.02) = 0.018% HG LEU 31 - QD1 LEU 104 5.556% * 0.0080% (0.18 1.0 1.00 0.02 0.37) = 0.008% QD1 ILE 56 - QD1 LEU 104 5.556% * 0.0072% (0.16 1.0 1.00 0.02 0.02) = 0.007% QG1 VAL 43 - QD1 LEU 63 5.556% * 0.0070% (0.16 1.0 1.00 0.02 0.02) = 0.007% QG1 VAL 43 - QD1 LEU 73 5.556% * 0.0070% (0.16 1.0 1.00 0.02 2.21) = 0.007% QG1 VAL 41 - QD1 LEU 104 5.556% * 0.0027% (0.06 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 43 - QD1 LEU 104 5.556% * 0.0013% (0.03 1.0 1.00 0.02 0.27) = 0.001% Peak 847 (5.57, 0.78, 24.39 ppm): 2 chemical-shift based assignments, quality = 0.946, support = 5.57, residual support = 115.4: * T HA LEU 73 - QD2 LEU 73 50.000% * 93.1791% (1.00 10.00 5.93 123.80) = 93.179% kept T HA LEU 73 - HG3 LYS+ 121 50.000% * 6.8209% (0.21 10.00 0.69 0.02) = 6.821% kept Peak 848 (1.70, 0.78, 24.39 ppm): 18 chemical-shift based assignments, quality = 0.982, support = 5.37, residual support = 119.3: * O T HB2 LEU 73 - QD2 LEU 73 5.556% * 96.3855% (1.00 10.0 10.00 5.56 123.80) = 96.385% kept HD2 LYS+ 111 - QD2 LEU 73 5.556% * 2.0934% (0.85 1.0 1.00 0.51 0.13) = 2.093% kept QD LYS+ 106 - QD2 LEU 73 5.556% * 0.5995% (0.92 1.0 1.00 0.13 0.74) = 0.600% T HB2 LEU 73 - HG3 LYS+ 121 5.556% * 0.2048% (0.21 1.0 10.00 0.02 0.02) = 0.205% T QG1 ILE 56 - QD2 LEU 73 5.556% * 0.1774% (0.18 1.0 10.00 0.02 0.45) = 0.177% T HB2 LEU 123 - HG3 LYS+ 121 5.556% * 0.1094% (0.11 1.0 10.00 0.02 1.71) = 0.109% HB3 MET 92 - QD2 LEU 73 5.556% * 0.0916% (0.95 1.0 1.00 0.02 0.02) = 0.092% QD LYS+ 99 - QD2 LEU 73 5.556% * 0.0859% (0.89 1.0 1.00 0.02 0.02) = 0.086% HB2 LEU 123 - QD2 LEU 73 5.556% * 0.0515% (0.53 1.0 1.00 0.02 0.02) = 0.051% HG3 PRO 93 - QD2 LEU 73 5.556% * 0.0469% (0.49 1.0 1.00 0.02 0.02) = 0.047% T QG1 ILE 56 - HG3 LYS+ 121 5.556% * 0.0377% (0.04 1.0 10.00 0.02 0.02) = 0.038% QD LYS+ 102 - QD2 LEU 73 5.556% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 MET 92 - HG3 LYS+ 121 5.556% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.019% QD LYS+ 106 - HG3 LYS+ 121 5.556% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% QD LYS+ 99 - HG3 LYS+ 121 5.556% * 0.0182% (0.19 1.0 1.00 0.02 0.02) = 0.018% HD2 LYS+ 111 - HG3 LYS+ 121 5.556% * 0.0175% (0.18 1.0 1.00 0.02 0.28) = 0.018% HG3 PRO 93 - HG3 LYS+ 121 5.556% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% QD LYS+ 102 - HG3 LYS+ 121 5.556% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 849 (1.38, 0.78, 24.39 ppm): 24 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 106.0: * O T HB3 LEU 73 - QD2 LEU 73 4.167% * 85.3592% (1.00 10.0 10.00 5.62 123.80) = 85.359% kept HB2 LYS+ 112 - QD2 LEU 73 4.167% * 9.6532% (0.97 1.0 1.00 2.33 2.51) = 9.653% kept HB VAL 42 - QD2 LEU 73 4.167% * 3.0337% (0.99 1.0 1.00 0.72 1.44) = 3.034% kept HB2 LYS+ 112 - HG3 LYS+ 121 4.167% * 1.2171% (0.21 1.0 1.00 1.38 0.72) = 1.217% kept T HB3 LEU 73 - HG3 LYS+ 121 4.167% * 0.1813% (0.21 1.0 10.00 0.02 0.02) = 0.181% HG3 LYS+ 102 - QD2 LEU 73 4.167% * 0.0851% (1.00 1.0 1.00 0.02 0.02) = 0.085% HG3 LYS+ 65 - QD2 LEU 73 4.167% * 0.0843% (0.99 1.0 1.00 0.02 0.02) = 0.084% HG3 LYS+ 33 - QD2 LEU 73 4.167% * 0.0811% (0.95 1.0 1.00 0.02 0.02) = 0.081% HG3 LYS+ 106 - QD2 LEU 73 4.167% * 0.0761% (0.89 1.0 1.00 0.02 0.74) = 0.076% QB ALA 12 - QD2 LEU 73 4.167% * 0.0456% (0.53 1.0 1.00 0.02 0.02) = 0.046% QB LEU 98 - QD2 LEU 73 4.167% * 0.0208% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 93 - QD2 LEU 73 4.167% * 0.0208% (0.24 1.0 1.00 0.02 0.02) = 0.021% QB ALA 84 - QD2 LEU 73 4.167% * 0.0181% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 102 - HG3 LYS+ 121 4.167% * 0.0181% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB VAL 42 - HG3 LYS+ 121 4.167% * 0.0179% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 65 - HG3 LYS+ 121 4.167% * 0.0179% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG3 LYS+ 33 - HG3 LYS+ 121 4.167% * 0.0172% (0.20 1.0 1.00 0.02 0.02) = 0.017% HG3 LYS+ 106 - HG3 LYS+ 121 4.167% * 0.0162% (0.19 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - QD2 LEU 73 4.167% * 0.0116% (0.14 1.0 1.00 0.02 0.02) = 0.012% QB ALA 12 - HG3 LYS+ 121 4.167% * 0.0097% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 PRO 93 - HG3 LYS+ 121 4.167% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB LEU 98 - HG3 LYS+ 121 4.167% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB ALA 84 - HG3 LYS+ 121 4.167% * 0.0039% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG LEU 98 - HG3 LYS+ 121 4.167% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 850 (0.58, 0.78, 24.39 ppm): 12 chemical-shift based assignments, quality = 0.94, support = 3.51, residual support = 60.3: * O T QD1 LEU 73 - QD2 LEU 73 8.333% * 46.1448% (1.00 10.0 10.00 5.62 123.80) = 46.145% kept T QD1 LEU 63 - QD2 LEU 73 8.333% * 43.3803% (1.00 1.0 10.00 1.88 7.26) = 43.380% kept T QD1 LEU 104 - QD2 LEU 73 8.333% * 10.1272% (0.44 1.0 10.00 1.00 0.02) = 10.127% kept T QD1 LEU 73 - HG3 LYS+ 121 8.333% * 0.0980% (0.21 1.0 10.00 0.02 0.02) = 0.098% T QD1 LEU 63 - HG3 LYS+ 121 8.333% * 0.0980% (0.21 1.0 10.00 0.02 0.02) = 0.098% T QD1 LEU 104 - HG3 LYS+ 121 8.333% * 0.0432% (0.09 1.0 10.00 0.02 0.02) = 0.043% QD2 LEU 115 - QD2 LEU 73 8.333% * 0.0356% (0.77 1.0 1.00 0.02 0.02) = 0.036% QD2 LEU 80 - QD2 LEU 73 8.333% * 0.0335% (0.73 1.0 1.00 0.02 0.02) = 0.034% QD2 LEU 63 - QD2 LEU 73 8.333% * 0.0203% (0.44 1.0 1.00 0.02 7.26) = 0.020% QD2 LEU 115 - HG3 LYS+ 121 8.333% * 0.0076% (0.16 1.0 1.00 0.02 0.15) = 0.008% QD2 LEU 80 - HG3 LYS+ 121 8.333% * 0.0071% (0.15 1.0 1.00 0.02 0.02) = 0.007% QD2 LEU 63 - HG3 LYS+ 121 8.333% * 0.0043% (0.09 1.0 1.00 0.02 0.02) = 0.004% Peak 851 (0.78, 0.78, 24.39 ppm): 2 diagonal assignments: * QD2 LEU 73 - QD2 LEU 73 (1.00) kept HG3 LYS+ 121 - HG3 LYS+ 121 (0.05) kept Peak 852 (4.94, 4.94, 55.14 ppm): 1 diagonal assignment: * HA LYS+ 74 - HA LYS+ 74 (0.53) kept Peak 853 (1.48, 4.94, 55.14 ppm): 8 chemical-shift based assignments, quality = 0.525, support = 5.29, residual support = 156.3: * O T HB2 LYS+ 74 - HA LYS+ 74 12.500% * 99.5735% (0.53 10.0 10.00 5.31 157.02) = 99.574% kept HB3 LEU 40 - HA LYS+ 74 12.500% * 0.1172% (0.62 1.0 1.00 0.02 0.02) = 0.117% QB ALA 120 - HA LYS+ 74 12.500% * 0.0798% (0.42 1.0 1.00 0.02 0.02) = 0.080% HG LEU 115 - HA LYS+ 74 12.500% * 0.0798% (0.42 1.0 1.00 0.02 0.02) = 0.080% QG2 THR 26 - HA LYS+ 74 12.500% * 0.0544% (0.29 1.0 1.00 0.02 0.02) = 0.054% HG2 LYS+ 65 - HA LYS+ 74 12.500% * 0.0432% (0.23 1.0 1.00 0.02 0.02) = 0.043% HD2 LYS+ 121 - HA LYS+ 74 12.500% * 0.0334% (0.18 1.0 1.00 0.02 0.15) = 0.033% HG LEU 67 - HA LYS+ 74 12.500% * 0.0186% (0.10 1.0 1.00 0.02 0.02) = 0.019% Peak 854 (1.24, 4.94, 55.14 ppm): 9 chemical-shift based assignments, quality = 0.7, support = 5.69, residual support = 149.1: * O T HG2 LYS+ 74 - HA LYS+ 74 11.111% * 94.9470% (0.73 10.0 10.00 5.98 157.02) = 94.947% kept T HG3 LYS+ 111 - HA LYS+ 74 11.111% * 3.5010% (0.18 1.0 10.00 0.30 0.02) = 3.501% kept QB ALA 91 - HA LYS+ 74 11.111% * 1.1818% (0.35 1.0 1.00 0.51 0.02) = 1.182% kept HG3 LYS+ 99 - HA LYS+ 74 11.111% * 0.0946% (0.72 1.0 1.00 0.02 0.02) = 0.095% HG LEU 71 - HA LYS+ 74 11.111% * 0.0946% (0.72 1.0 1.00 0.02 1.99) = 0.095% HG13 ILE 19 - HA LYS+ 74 11.111% * 0.0846% (0.65 1.0 1.00 0.02 5.32) = 0.085% QG2 THR 39 - HA LYS+ 74 11.111% * 0.0462% (0.35 1.0 1.00 0.02 0.02) = 0.046% HG12 ILE 89 - HA LYS+ 74 11.111% * 0.0299% (0.23 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 38 - HA LYS+ 74 11.111% * 0.0202% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 855 (0.98, 4.94, 55.14 ppm): 8 chemical-shift based assignments, quality = 0.699, support = 5.23, residual support = 150.7: * O T HG3 LYS+ 74 - HA LYS+ 74 12.500% * 95.4569% (0.73 10.0 10.00 5.27 157.02) = 95.457% kept HB VAL 75 - HA LYS+ 74 12.500% * 4.1627% (0.13 1.0 1.00 4.74 18.48) = 4.163% kept QG2 ILE 103 - HA LYS+ 74 12.500% * 0.0927% (0.71 1.0 1.00 0.02 0.02) = 0.093% QD1 LEU 67 - HA LYS+ 74 12.500% * 0.0851% (0.65 1.0 1.00 0.02 0.02) = 0.085% QD2 LEU 40 - HA LYS+ 74 12.500% * 0.0816% (0.62 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 71 - HA LYS+ 74 12.500% * 0.0556% (0.42 1.0 1.00 0.02 1.99) = 0.056% QD1 ILE 103 - HA LYS+ 74 12.500% * 0.0421% (0.32 1.0 1.00 0.02 0.02) = 0.042% QG2 ILE 119 - HA LYS+ 74 12.500% * 0.0233% (0.18 1.0 1.00 0.02 0.14) = 0.023% Peak 856 (1.64, 4.94, 55.14 ppm): 9 chemical-shift based assignments, quality = 0.722, support = 5.24, residual support = 156.1: * T HD2 LYS+ 74 - HA LYS+ 74 11.111% * 99.4159% (0.73 10.00 5.27 157.02) = 99.416% kept T QD LYS+ 38 - HA LYS+ 74 11.111% * 0.2113% (0.15 10.00 0.02 0.02) = 0.211% QB ALA 57 - HA LYS+ 74 11.111% * 0.0810% (0.59 1.00 0.02 0.02) = 0.081% HD3 LYS+ 111 - HA LYS+ 74 11.111% * 0.0767% (0.56 1.00 0.02 0.02) = 0.077% HB2 LYS+ 121 - HA LYS+ 74 11.111% * 0.0484% (0.35 1.00 0.02 0.15) = 0.048% HB3 LEU 123 - HA LYS+ 74 11.111% * 0.0438% (0.32 1.00 0.02 0.11) = 0.044% QD LYS+ 65 - HA LYS+ 74 11.111% * 0.0438% (0.32 1.00 0.02 0.02) = 0.044% QD LYS+ 33 - HA LYS+ 74 11.111% * 0.0438% (0.32 1.00 0.02 0.02) = 0.044% HB VAL 83 - HA LYS+ 74 11.111% * 0.0353% (0.26 1.00 0.02 0.02) = 0.035% Peak 857 (2.80, 4.94, 55.14 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 4.61, residual support = 156.7: * T QE LYS+ 74 - HA LYS+ 74 20.000% * 99.7901% (0.73 10.00 4.62 157.02) = 99.790% kept QB CYS 50 - HA LYS+ 74 20.000% * 0.0995% (0.72 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HA LYS+ 74 20.000% * 0.0678% (0.49 1.00 0.02 0.02) = 0.068% HB3 ASP- 78 - HA LYS+ 74 20.000% * 0.0243% (0.18 1.00 0.02 0.94) = 0.024% HB2 PHE 72 - HA LYS+ 74 20.000% * 0.0184% (0.13 1.00 0.02 1.31) = 0.018% Peak 858 (4.94, 1.48, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.527, support = 5.31, residual support = 156.9: * O T HA LYS+ 74 - HB2 LYS+ 74 50.000% * 99.9330% (0.53 10.0 10.00 5.31 157.02) = 99.933% kept HA THR 94 - HB2 LYS+ 74 50.000% * 0.0670% (0.35 1.0 1.00 0.02 0.02) = 0.067% Peak 859 (1.48, 1.48, 36.69 ppm): 1 diagonal assignment: * HB2 LYS+ 74 - HB2 LYS+ 74 (0.53) kept Peak 860 (1.24, 1.48, 36.69 ppm): 9 chemical-shift based assignments, quality = 0.713, support = 5.17, residual support = 150.0: * O T HG2 LYS+ 74 - HB2 LYS+ 74 11.111% * 95.5157% (0.73 10.0 10.00 5.40 157.02) = 95.516% kept HG LEU 71 - HB2 LYS+ 74 11.111% * 2.3794% (0.72 1.0 1.00 0.50 1.99) = 2.379% kept T HG3 LYS+ 111 - HB2 LYS+ 74 11.111% * 1.1137% (0.18 1.0 10.00 0.10 0.02) = 1.114% kept HG13 ILE 19 - HB2 LYS+ 74 11.111% * 0.7526% (0.65 1.0 1.00 0.18 5.32) = 0.753% HG3 LYS+ 99 - HB2 LYS+ 74 11.111% * 0.0952% (0.72 1.0 1.00 0.02 0.02) = 0.095% QB ALA 91 - HB2 LYS+ 74 11.111% * 0.0465% (0.35 1.0 1.00 0.02 0.02) = 0.046% QG2 THR 39 - HB2 LYS+ 74 11.111% * 0.0465% (0.35 1.0 1.00 0.02 0.02) = 0.046% HG12 ILE 89 - HB2 LYS+ 74 11.111% * 0.0301% (0.23 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 38 - HB2 LYS+ 74 11.111% * 0.0203% (0.15 1.0 1.00 0.02 0.02) = 0.020% Peak 861 (0.98, 1.48, 36.69 ppm): 8 chemical-shift based assignments, quality = 0.687, support = 4.78, residual support = 146.5: * O T HG3 LYS+ 74 - HB2 LYS+ 74 12.500% * 92.8300% (0.73 10.0 10.00 4.97 157.02) = 92.830% kept HB VAL 75 - HB2 LYS+ 74 12.500% * 3.5493% (0.13 1.0 1.00 4.16 18.48) = 3.549% kept QD2 LEU 71 - HB2 LYS+ 74 12.500% * 1.8461% (0.42 1.0 1.00 0.68 1.99) = 1.846% kept T QD1 LEU 67 - HB2 LYS+ 74 12.500% * 0.8273% (0.65 1.0 10.00 0.02 0.02) = 0.827% T QD2 LEU 40 - HB2 LYS+ 74 12.500% * 0.7936% (0.62 1.0 10.00 0.02 0.02) = 0.794% QG2 ILE 103 - HB2 LYS+ 74 12.500% * 0.0902% (0.71 1.0 1.00 0.02 0.02) = 0.090% QD1 ILE 103 - HB2 LYS+ 74 12.500% * 0.0409% (0.32 1.0 1.00 0.02 0.02) = 0.041% QG2 ILE 119 - HB2 LYS+ 74 12.500% * 0.0226% (0.18 1.0 1.00 0.02 0.14) = 0.023% Peak 862 (1.64, 1.48, 36.69 ppm): 9 chemical-shift based assignments, quality = 0.711, support = 4.87, residual support = 153.8: * O T HD2 LYS+ 74 - HB2 LYS+ 74 11.111% * 97.9271% (0.73 10.0 10.00 4.97 157.02) = 97.927% kept T HD3 LYS+ 111 - HB2 LYS+ 74 11.111% * 0.7557% (0.56 1.0 10.00 0.02 0.02) = 0.756% T HB2 LYS+ 121 - HB2 LYS+ 74 11.111% * 0.4767% (0.35 1.0 10.00 0.02 0.15) = 0.477% T QD LYS+ 65 - HB2 LYS+ 74 11.111% * 0.4316% (0.32 1.0 10.00 0.02 0.02) = 0.432% T QD LYS+ 38 - HB2 LYS+ 74 11.111% * 0.2081% (0.15 1.0 10.00 0.02 0.02) = 0.208% QB ALA 57 - HB2 LYS+ 74 11.111% * 0.0798% (0.59 1.0 1.00 0.02 0.02) = 0.080% HB3 LEU 123 - HB2 LYS+ 74 11.111% * 0.0432% (0.32 1.0 1.00 0.02 0.11) = 0.043% QD LYS+ 33 - HB2 LYS+ 74 11.111% * 0.0432% (0.32 1.0 1.00 0.02 0.02) = 0.043% HB VAL 83 - HB2 LYS+ 74 11.111% * 0.0347% (0.26 1.0 1.00 0.02 0.02) = 0.035% Peak 863 (2.80, 1.48, 36.69 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 4.3, residual support = 156.7: * T QE LYS+ 74 - HB2 LYS+ 74 20.000% * 99.7901% (0.73 10.00 4.31 157.02) = 99.790% kept QB CYS 50 - HB2 LYS+ 74 20.000% * 0.0995% (0.72 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HB2 LYS+ 74 20.000% * 0.0678% (0.49 1.00 0.02 0.02) = 0.068% HB3 ASP- 78 - HB2 LYS+ 74 20.000% * 0.0243% (0.18 1.00 0.02 0.94) = 0.024% HB2 PHE 72 - HB2 LYS+ 74 20.000% * 0.0184% (0.13 1.00 0.02 1.31) = 0.018% Peak 864 (4.94, 1.24, 25.23 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 5.97, residual support = 156.8: * O T HA LYS+ 74 - HG2 LYS+ 74 25.000% * 99.8591% (0.73 10.0 10.00 5.98 157.02) = 99.859% kept T HA LYS+ 74 - HG3 LYS+ 111 25.000% * 0.0693% (0.05 1.0 10.00 0.02 0.02) = 0.069% HA THR 94 - HG2 LYS+ 74 25.000% * 0.0669% (0.49 1.0 1.00 0.02 0.02) = 0.067% HA THR 94 - HG3 LYS+ 111 25.000% * 0.0046% (0.03 1.0 1.00 0.02 1.48) = 0.005% Peak 865 (1.48, 1.24, 25.23 ppm): 16 chemical-shift based assignments, quality = 0.722, support = 5.37, residual support = 156.2: * O T HB2 LYS+ 74 - HG2 LYS+ 74 6.250% * 99.4753% (0.73 10.0 10.00 5.40 157.02) = 99.475% kept HB3 LEU 40 - HG2 LYS+ 74 6.250% * 0.1171% (0.85 1.0 1.00 0.02 0.02) = 0.117% HG LEU 115 - HG2 LYS+ 74 6.250% * 0.0798% (0.58 1.0 1.00 0.02 0.02) = 0.080% QB ALA 120 - HG2 LYS+ 74 6.250% * 0.0798% (0.58 1.0 1.00 0.02 0.02) = 0.080% T HB2 LYS+ 74 - HG3 LYS+ 111 6.250% * 0.0691% (0.05 1.0 10.00 0.02 0.02) = 0.069% QG2 THR 26 - HG2 LYS+ 74 6.250% * 0.0543% (0.40 1.0 1.00 0.02 0.02) = 0.054% HG2 LYS+ 65 - HG2 LYS+ 74 6.250% * 0.0432% (0.31 1.0 1.00 0.02 0.02) = 0.043% HD2 LYS+ 121 - HG2 LYS+ 74 6.250% * 0.0334% (0.24 1.0 1.00 0.02 0.15) = 0.033% HG LEU 67 - HG2 LYS+ 74 6.250% * 0.0185% (0.14 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 40 - HG3 LYS+ 111 6.250% * 0.0081% (0.06 1.0 1.00 0.02 0.02) = 0.008% QB ALA 120 - HG3 LYS+ 111 6.250% * 0.0055% (0.04 1.0 1.00 0.02 0.02) = 0.006% HG LEU 115 - HG3 LYS+ 111 6.250% * 0.0055% (0.04 1.0 1.00 0.02 0.02) = 0.006% QG2 THR 26 - HG3 LYS+ 111 6.250% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HG2 LYS+ 65 - HG3 LYS+ 111 6.250% * 0.0030% (0.02 1.0 1.00 0.02 0.02) = 0.003% HD2 LYS+ 121 - HG3 LYS+ 111 6.250% * 0.0023% (0.02 1.0 1.00 0.02 0.28) = 0.002% HG LEU 67 - HG3 LYS+ 111 6.250% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 866 (1.24, 1.24, 25.23 ppm): 2 diagonal assignments: * HG2 LYS+ 74 - HG2 LYS+ 74 (1.00) kept HG3 LYS+ 111 - HG3 LYS+ 111 (0.02) kept Peak 867 (0.98, 1.24, 25.23 ppm): 16 chemical-shift based assignments, quality = 0.954, support = 4.34, residual support = 149.4: * O T HG3 LYS+ 74 - HG2 LYS+ 74 6.250% * 94.7077% (1.00 10.0 10.00 4.41 157.02) = 94.708% kept HB VAL 75 - HG2 LYS+ 74 6.250% * 3.8515% (0.18 1.0 1.00 4.42 18.48) = 3.851% kept QD2 LEU 71 - HG2 LYS+ 74 6.250% * 0.9909% (0.58 1.0 1.00 0.36 1.99) = 0.991% QG2 ILE 103 - HG2 LYS+ 74 6.250% * 0.0920% (0.97 1.0 1.00 0.02 0.02) = 0.092% QD1 LEU 67 - HG2 LYS+ 74 6.250% * 0.0844% (0.89 1.0 1.00 0.02 0.02) = 0.084% QD2 LEU 40 - HG2 LYS+ 74 6.250% * 0.0810% (0.85 1.0 1.00 0.02 0.02) = 0.081% T HG3 LYS+ 74 - HG3 LYS+ 111 6.250% * 0.0658% (0.07 1.0 10.00 0.02 0.02) = 0.066% QD1 ILE 103 - HG2 LYS+ 74 6.250% * 0.0417% (0.44 1.0 1.00 0.02 0.02) = 0.042% T QD2 LEU 71 - HG3 LYS+ 111 6.250% * 0.0383% (0.04 1.0 10.00 0.02 0.02) = 0.038% QG2 ILE 119 - HG2 LYS+ 74 6.250% * 0.0231% (0.24 1.0 1.00 0.02 0.14) = 0.023% QG2 ILE 103 - HG3 LYS+ 111 6.250% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% QD1 LEU 67 - HG3 LYS+ 111 6.250% * 0.0059% (0.06 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 40 - HG3 LYS+ 111 6.250% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% QD1 ILE 103 - HG3 LYS+ 111 6.250% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% QG2 ILE 119 - HG3 LYS+ 111 6.250% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB VAL 75 - HG3 LYS+ 111 6.250% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 868 (1.64, 1.24, 25.23 ppm): 18 chemical-shift based assignments, quality = 0.932, support = 4.36, residual support = 159.8: * O T HD2 LYS+ 74 - HG2 LYS+ 74 5.556% * 92.9422% (1.00 10.0 10.00 4.41 157.02) = 92.942% kept O T HD3 LYS+ 111 - HG3 LYS+ 111 5.556% * 4.9802% (0.05 10.0 10.00 5.40 278.71) = 4.980% kept T HD3 LYS+ 111 - HG2 LYS+ 74 5.556% * 0.7172% (0.77 1.0 10.00 0.02 0.02) = 0.717% T QD LYS+ 65 - HG2 LYS+ 74 5.556% * 0.4097% (0.44 1.0 10.00 0.02 0.02) = 0.410% T QD LYS+ 33 - HG2 LYS+ 74 5.556% * 0.4097% (0.44 1.0 10.00 0.02 0.02) = 0.410% T QD LYS+ 38 - HG2 LYS+ 74 5.556% * 0.1975% (0.21 1.0 10.00 0.02 0.02) = 0.198% QB ALA 57 - HG2 LYS+ 74 5.556% * 0.0757% (0.81 1.0 1.00 0.02 0.02) = 0.076% T HD2 LYS+ 74 - HG3 LYS+ 111 5.556% * 0.0645% (0.07 1.0 10.00 0.02 0.02) = 0.065% HB2 LYS+ 121 - HG2 LYS+ 74 5.556% * 0.0452% (0.49 1.0 1.00 0.02 0.15) = 0.045% HB3 LEU 123 - HG2 LYS+ 74 5.556% * 0.0410% (0.44 1.0 1.00 0.02 0.11) = 0.041% HB VAL 83 - HG2 LYS+ 74 5.556% * 0.0330% (0.35 1.0 1.00 0.02 0.02) = 0.033% T QD LYS+ 33 - HG3 LYS+ 111 5.556% * 0.0284% (0.03 1.0 10.00 0.02 0.02) = 0.028% T QD LYS+ 65 - HG3 LYS+ 111 5.556% * 0.0284% (0.03 1.0 10.00 0.02 0.02) = 0.028% T QD LYS+ 38 - HG3 LYS+ 111 5.556% * 0.0137% (0.01 1.0 10.00 0.02 0.02) = 0.014% QB ALA 57 - HG3 LYS+ 111 5.556% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 121 - HG3 LYS+ 111 5.556% * 0.0031% (0.03 1.0 1.00 0.02 0.28) = 0.003% HB3 LEU 123 - HG3 LYS+ 111 5.556% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB VAL 83 - HG3 LYS+ 111 5.556% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 869 (2.80, 1.24, 25.23 ppm): 10 chemical-shift based assignments, quality = 0.997, support = 4.39, residual support = 156.6: * O T QE LYS+ 74 - HG2 LYS+ 74 10.000% * 99.7065% (1.00 10.0 10.00 4.41 157.02) = 99.706% kept QB CYS 50 - HG2 LYS+ 74 10.000% * 0.0994% (1.00 1.0 1.00 0.02 0.02) = 0.099% T QE LYS+ 74 - HG3 LYS+ 111 10.000% * 0.0692% (0.07 1.0 10.00 0.02 0.02) = 0.069% HB3 ASN 69 - HG2 LYS+ 74 10.000% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 ASP- 78 - HG2 LYS+ 74 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.94) = 0.024% HB2 PHE 72 - HG2 LYS+ 74 10.000% * 0.0183% (0.18 1.0 1.00 0.02 1.31) = 0.018% QB CYS 50 - HG3 LYS+ 111 10.000% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 ASN 69 - HG3 LYS+ 111 10.000% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 ASP- 78 - HG3 LYS+ 111 10.000% * 0.0017% (0.02 1.0 1.00 0.02 1.28) = 0.002% HB2 PHE 72 - HG3 LYS+ 111 10.000% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 870 (4.94, 0.98, 25.23 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 5.27, residual support = 156.9: * O T HA LYS+ 74 - HG3 LYS+ 74 50.000% * 99.9330% (0.73 10.0 10.00 5.27 157.02) = 99.933% kept HA THR 94 - HG3 LYS+ 74 50.000% * 0.0670% (0.49 1.0 1.00 0.02 0.02) = 0.067% Peak 871 (1.48, 0.98, 25.23 ppm): 8 chemical-shift based assignments, quality = 0.711, support = 4.87, residual support = 153.7: * O T HB2 LYS+ 74 - HG3 LYS+ 74 12.500% * 97.8837% (0.73 10.0 10.00 4.97 157.02) = 97.884% kept T HG LEU 115 - HG3 LYS+ 74 12.500% * 0.7849% (0.58 1.0 10.00 0.02 0.02) = 0.785% QB ALA 120 - HG3 LYS+ 74 12.500% * 0.7414% (0.58 1.0 1.00 0.19 0.02) = 0.741% HB3 LEU 40 - HG3 LYS+ 74 12.500% * 0.4429% (0.85 1.0 1.00 0.08 0.02) = 0.443% QG2 THR 26 - HG3 LYS+ 74 12.500% * 0.0535% (0.40 1.0 1.00 0.02 0.02) = 0.053% HG2 LYS+ 65 - HG3 LYS+ 74 12.500% * 0.0425% (0.31 1.0 1.00 0.02 0.02) = 0.042% HD2 LYS+ 121 - HG3 LYS+ 74 12.500% * 0.0329% (0.24 1.0 1.00 0.02 0.15) = 0.033% HG LEU 67 - HG3 LYS+ 74 12.500% * 0.0182% (0.14 1.0 1.00 0.02 0.02) = 0.018% Peak 872 (1.24, 0.98, 25.23 ppm): 9 chemical-shift based assignments, quality = 0.994, support = 4.32, residual support = 153.8: * O T HG2 LYS+ 74 - HG3 LYS+ 74 11.111% * 97.9780% (1.00 10.0 10.00 4.41 157.02) = 97.978% kept HG3 LYS+ 99 - HG3 LYS+ 74 11.111% * 1.4511% (1.00 1.0 1.00 0.30 0.02) = 1.451% kept T HG3 LYS+ 111 - HG3 LYS+ 74 11.111% * 0.2389% (0.24 1.0 10.00 0.02 0.02) = 0.239% HG LEU 71 - HG3 LYS+ 74 11.111% * 0.0977% (1.00 1.0 1.00 0.02 1.99) = 0.098% HG13 ILE 19 - HG3 LYS+ 74 11.111% * 0.0873% (0.89 1.0 1.00 0.02 5.32) = 0.087% QG2 THR 39 - HG3 LYS+ 74 11.111% * 0.0477% (0.49 1.0 1.00 0.02 0.02) = 0.048% QB ALA 91 - HG3 LYS+ 74 11.111% * 0.0477% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 89 - HG3 LYS+ 74 11.111% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 38 - HG3 LYS+ 74 11.111% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 873 (0.98, 0.98, 25.23 ppm): 1 diagonal assignment: * HG3 LYS+ 74 - HG3 LYS+ 74 (1.00) kept Peak 874 (1.64, 0.98, 25.23 ppm): 9 chemical-shift based assignments, quality = 0.994, support = 3.98, residual support = 156.1: * O T HD2 LYS+ 74 - HG3 LYS+ 74 11.111% * 99.4159% (1.00 10.0 10.00 4.00 157.02) = 99.416% kept T QD LYS+ 38 - HG3 LYS+ 74 11.111% * 0.2113% (0.21 1.0 10.00 0.02 0.02) = 0.211% QB ALA 57 - HG3 LYS+ 74 11.111% * 0.0810% (0.81 1.0 1.00 0.02 0.02) = 0.081% HD3 LYS+ 111 - HG3 LYS+ 74 11.111% * 0.0767% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB2 LYS+ 121 - HG3 LYS+ 74 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.15) = 0.048% HB3 LEU 123 - HG3 LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.11) = 0.044% QD LYS+ 65 - HG3 LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD LYS+ 33 - HG3 LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB VAL 83 - HG3 LYS+ 74 11.111% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 875 (2.80, 0.98, 25.23 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 156.7: * O T QE LYS+ 74 - HG3 LYS+ 74 20.000% * 99.7901% (1.00 10.0 10.00 4.00 157.02) = 99.790% kept QB CYS 50 - HG3 LYS+ 74 20.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HG3 LYS+ 74 20.000% * 0.0678% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 ASP- 78 - HG3 LYS+ 74 20.000% * 0.0243% (0.24 1.0 1.00 0.02 0.94) = 0.024% HB2 PHE 72 - HG3 LYS+ 74 20.000% * 0.0184% (0.18 1.0 1.00 0.02 1.31) = 0.018% Peak 876 (4.94, 1.64, 30.09 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 5.26, residual support = 156.7: * T HA LYS+ 74 - HD2 LYS+ 74 25.000% * 99.7876% (0.73 10.00 5.27 157.02) = 99.788% kept T HA LYS+ 74 - QD LYS+ 38 25.000% * 0.1363% (0.10 10.00 0.02 0.02) = 0.136% HA THR 94 - HD2 LYS+ 74 25.000% * 0.0669% (0.49 1.00 0.02 0.02) = 0.067% HA THR 94 - QD LYS+ 38 25.000% * 0.0091% (0.07 1.00 0.02 0.02) = 0.009% Peak 877 (1.48, 1.64, 30.09 ppm): 16 chemical-shift based assignments, quality = 0.716, support = 4.91, residual support = 154.8: * O T HB2 LYS+ 74 - HD2 LYS+ 74 6.250% * 98.6089% (0.73 10.0 10.00 4.97 157.02) = 98.609% kept T HG2 LYS+ 65 - HD2 LYS+ 74 6.250% * 0.4278% (0.31 1.0 10.00 0.02 0.02) = 0.428% T HD2 LYS+ 121 - HD2 LYS+ 74 6.250% * 0.3311% (0.24 1.0 10.00 0.02 0.15) = 0.331% T HB2 LYS+ 74 - QD LYS+ 38 6.250% * 0.1347% (0.10 1.0 10.00 0.02 0.02) = 0.135% HB3 LEU 40 - HD2 LYS+ 74 6.250% * 0.1161% (0.85 1.0 1.00 0.02 0.02) = 0.116% QB ALA 120 - HD2 LYS+ 74 6.250% * 0.0791% (0.58 1.0 1.00 0.02 0.02) = 0.079% HG LEU 115 - HD2 LYS+ 74 6.250% * 0.0791% (0.58 1.0 1.00 0.02 0.02) = 0.079% T HG2 LYS+ 65 - QD LYS+ 38 6.250% * 0.0584% (0.04 1.0 10.00 0.02 0.02) = 0.058% QG2 THR 26 - HD2 LYS+ 74 6.250% * 0.0539% (0.40 1.0 1.00 0.02 0.02) = 0.054% T HD2 LYS+ 121 - QD LYS+ 38 6.250% * 0.0452% (0.03 1.0 10.00 0.02 0.02) = 0.045% HG LEU 67 - HD2 LYS+ 74 6.250% * 0.0184% (0.14 1.0 1.00 0.02 0.02) = 0.018% HB3 LEU 40 - QD LYS+ 38 6.250% * 0.0159% (0.12 1.0 1.00 0.02 1.47) = 0.016% QB ALA 120 - QD LYS+ 38 6.250% * 0.0108% (0.08 1.0 1.00 0.02 0.02) = 0.011% HG LEU 115 - QD LYS+ 38 6.250% * 0.0108% (0.08 1.0 1.00 0.02 0.02) = 0.011% QG2 THR 26 - QD LYS+ 38 6.250% * 0.0074% (0.05 1.0 1.00 0.02 0.02) = 0.007% HG LEU 67 - QD LYS+ 38 6.250% * 0.0025% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 878 (1.24, 1.64, 30.09 ppm): 18 chemical-shift based assignments, quality = 0.939, support = 4.3, residual support = 152.2: * O T HG2 LYS+ 74 - HD2 LYS+ 74 5.556% * 93.4424% (1.00 10.0 10.00 4.41 157.02) = 93.442% kept O T HG3 LYS+ 38 - QD LYS+ 38 5.556% * 2.7127% (0.03 10.0 10.00 5.64 192.34) = 2.713% kept T HG3 LYS+ 111 - HD2 LYS+ 74 5.556% * 1.0896% (0.24 1.0 10.00 0.10 0.02) = 1.090% kept QG2 THR 39 - QD LYS+ 38 5.556% * 1.0081% (0.07 1.0 1.00 3.24 21.30) = 1.008% kept T HG3 LYS+ 99 - HD2 LYS+ 74 5.556% * 0.9314% (1.00 1.0 10.00 0.02 0.02) = 0.931% T HG3 LYS+ 38 - HD2 LYS+ 74 5.556% * 0.1986% (0.21 1.0 10.00 0.02 0.02) = 0.199% T HG2 LYS+ 74 - QD LYS+ 38 5.556% * 0.1277% (0.14 1.0 10.00 0.02 0.02) = 0.128% T HG3 LYS+ 99 - QD LYS+ 38 5.556% * 0.1272% (0.14 1.0 10.00 0.02 0.73) = 0.127% HG LEU 71 - HD2 LYS+ 74 5.556% * 0.0931% (1.00 1.0 1.00 0.02 1.99) = 0.093% HG13 ILE 19 - HD2 LYS+ 74 5.556% * 0.0833% (0.89 1.0 1.00 0.02 5.32) = 0.083% QB ALA 91 - HD2 LYS+ 74 5.556% * 0.0455% (0.49 1.0 1.00 0.02 0.02) = 0.045% QG2 THR 39 - HD2 LYS+ 74 5.556% * 0.0455% (0.49 1.0 1.00 0.02 0.02) = 0.045% T HG3 LYS+ 111 - QD LYS+ 38 5.556% * 0.0311% (0.03 1.0 10.00 0.02 0.02) = 0.031% HG12 ILE 89 - HD2 LYS+ 74 5.556% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 71 - QD LYS+ 38 5.556% * 0.0127% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG13 ILE 19 - QD LYS+ 38 5.556% * 0.0114% (0.12 1.0 1.00 0.02 0.02) = 0.011% QB ALA 91 - QD LYS+ 38 5.556% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG12 ILE 89 - QD LYS+ 38 5.556% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 879 (0.98, 1.64, 30.09 ppm): 16 chemical-shift based assignments, quality = 0.966, support = 3.97, residual support = 151.4: * O T HG3 LYS+ 74 - HD2 LYS+ 74 6.250% * 96.0151% (1.00 10.0 10.00 4.00 157.02) = 96.015% kept HB VAL 75 - HD2 LYS+ 74 6.250% * 3.4165% (0.18 1.0 1.00 3.87 18.48) = 3.417% kept T HG3 LYS+ 74 - QD LYS+ 38 6.250% * 0.1312% (0.14 1.0 10.00 0.02 0.02) = 0.131% QG2 ILE 103 - HD2 LYS+ 74 6.250% * 0.0933% (0.97 1.0 1.00 0.02 0.02) = 0.093% QD1 LEU 67 - HD2 LYS+ 74 6.250% * 0.0856% (0.89 1.0 1.00 0.02 0.02) = 0.086% QD2 LEU 40 - HD2 LYS+ 74 6.250% * 0.0821% (0.85 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 71 - HD2 LYS+ 74 6.250% * 0.0559% (0.58 1.0 1.00 0.02 1.99) = 0.056% QD1 ILE 103 - HD2 LYS+ 74 6.250% * 0.0423% (0.44 1.0 1.00 0.02 0.02) = 0.042% QG2 ILE 119 - HD2 LYS+ 74 6.250% * 0.0234% (0.24 1.0 1.00 0.02 0.14) = 0.023% QG2 ILE 103 - QD LYS+ 38 6.250% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% QD1 LEU 67 - QD LYS+ 38 6.250% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% QD2 LEU 40 - QD LYS+ 38 6.250% * 0.0112% (0.12 1.0 1.00 0.02 1.47) = 0.011% QD2 LEU 71 - QD LYS+ 38 6.250% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% QD1 ILE 103 - QD LYS+ 38 6.250% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 119 - QD LYS+ 38 6.250% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB VAL 75 - QD LYS+ 38 6.250% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 880 (1.64, 1.64, 30.09 ppm): 2 diagonal assignments: * HD2 LYS+ 74 - HD2 LYS+ 74 (1.00) kept QD LYS+ 38 - QD LYS+ 38 (0.03) kept Peak 881 (2.80, 1.64, 30.09 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 3.99, residual support = 156.4: * O T QE LYS+ 74 - HD2 LYS+ 74 10.000% * 99.6257% (1.00 10.0 10.00 4.00 157.02) = 99.626% kept T QE LYS+ 74 - QD LYS+ 38 10.000% * 0.1361% (0.14 1.0 10.00 0.02 0.02) = 0.136% QB CYS 50 - HD2 LYS+ 74 10.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HD2 LYS+ 74 10.000% * 0.0676% (0.68 1.0 1.00 0.02 0.02) = 0.068% HB3 ASP- 78 - HD2 LYS+ 74 10.000% * 0.0243% (0.24 1.0 1.00 0.02 0.94) = 0.024% HB2 PHE 72 - HD2 LYS+ 74 10.000% * 0.0183% (0.18 1.0 1.00 0.02 1.31) = 0.018% QB CYS 50 - QD LYS+ 38 10.000% * 0.0136% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB3 ASN 69 - QD LYS+ 38 10.000% * 0.0092% (0.09 1.0 1.00 0.02 0.32) = 0.009% HB3 ASP- 78 - QD LYS+ 38 10.000% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 PHE 72 - QD LYS+ 38 10.000% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 882 (4.94, 2.80, 41.81 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 4.62, residual support = 156.9: * T HA LYS+ 74 - QE LYS+ 74 50.000% * 99.9330% (0.73 10.00 4.62 157.02) = 99.933% kept HA THR 94 - QE LYS+ 74 50.000% * 0.0670% (0.49 1.00 0.02 0.02) = 0.067% Peak 883 (1.48, 2.80, 41.81 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 4.29, residual support = 156.3: * T HB2 LYS+ 74 - QE LYS+ 74 12.500% * 99.5735% (0.73 10.00 4.31 157.02) = 99.574% kept HB3 LEU 40 - QE LYS+ 74 12.500% * 0.1172% (0.85 1.00 0.02 0.02) = 0.117% QB ALA 120 - QE LYS+ 74 12.500% * 0.0798% (0.58 1.00 0.02 0.02) = 0.080% HG LEU 115 - QE LYS+ 74 12.500% * 0.0798% (0.58 1.00 0.02 0.02) = 0.080% QG2 THR 26 - QE LYS+ 74 12.500% * 0.0544% (0.40 1.00 0.02 0.02) = 0.054% HG2 LYS+ 65 - QE LYS+ 74 12.500% * 0.0432% (0.31 1.00 0.02 0.02) = 0.043% HD2 LYS+ 121 - QE LYS+ 74 12.500% * 0.0334% (0.24 1.00 0.02 0.15) = 0.033% HG LEU 67 - QE LYS+ 74 12.500% * 0.0186% (0.14 1.00 0.02 0.02) = 0.019% Peak 884 (1.24, 2.80, 41.81 ppm): 9 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 155.5: * O T HG2 LYS+ 74 - QE LYS+ 74 11.111% * 99.0606% (1.00 10.0 10.00 4.41 157.02) = 99.061% kept HG13 ILE 19 - QE LYS+ 74 11.111% * 0.3517% (0.89 1.0 1.00 0.08 5.32) = 0.352% T HG3 LYS+ 111 - QE LYS+ 74 11.111% * 0.2416% (0.24 1.0 10.00 0.02 0.02) = 0.242% HG3 LYS+ 99 - QE LYS+ 74 11.111% * 0.0987% (1.00 1.0 1.00 0.02 0.02) = 0.099% HG LEU 71 - QE LYS+ 74 11.111% * 0.0987% (1.00 1.0 1.00 0.02 1.99) = 0.099% QB ALA 91 - QE LYS+ 74 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG2 THR 39 - QE LYS+ 74 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 89 - QE LYS+ 74 11.111% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 LYS+ 38 - QE LYS+ 74 11.111% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 885 (0.98, 2.80, 41.81 ppm): 8 chemical-shift based assignments, quality = 0.968, support = 3.98, residual support = 151.6: * O T HG3 LYS+ 74 - QE LYS+ 74 12.500% * 96.1603% (1.00 10.0 10.00 4.00 157.02) = 96.160% kept HB VAL 75 - QE LYS+ 74 12.500% * 3.4565% (0.18 1.0 1.00 3.91 18.48) = 3.457% kept QG2 ILE 103 - QE LYS+ 74 12.500% * 0.0934% (0.97 1.0 1.00 0.02 0.02) = 0.093% QD1 LEU 67 - QE LYS+ 74 12.500% * 0.0857% (0.89 1.0 1.00 0.02 0.02) = 0.086% QD2 LEU 40 - QE LYS+ 74 12.500% * 0.0822% (0.85 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 71 - QE LYS+ 74 12.500% * 0.0560% (0.58 1.0 1.00 0.02 1.99) = 0.056% QD1 ILE 103 - QE LYS+ 74 12.500% * 0.0424% (0.44 1.0 1.00 0.02 0.02) = 0.042% QG2 ILE 119 - QE LYS+ 74 12.500% * 0.0234% (0.24 1.0 1.00 0.02 0.14) = 0.023% Peak 886 (1.64, 2.80, 41.81 ppm): 9 chemical-shift based assignments, quality = 0.994, support = 3.98, residual support = 156.1: * O T HD2 LYS+ 74 - QE LYS+ 74 11.111% * 99.4159% (1.00 10.0 10.00 4.00 157.02) = 99.416% kept T QD LYS+ 38 - QE LYS+ 74 11.111% * 0.2113% (0.21 1.0 10.00 0.02 0.02) = 0.211% QB ALA 57 - QE LYS+ 74 11.111% * 0.0810% (0.81 1.0 1.00 0.02 0.02) = 0.081% HD3 LYS+ 111 - QE LYS+ 74 11.111% * 0.0767% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB2 LYS+ 121 - QE LYS+ 74 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.15) = 0.048% HB3 LEU 123 - QE LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.11) = 0.044% QD LYS+ 65 - QE LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD LYS+ 33 - QE LYS+ 74 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB VAL 83 - QE LYS+ 74 11.111% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 887 (2.80, 2.80, 41.81 ppm): 1 diagonal assignment: * QE LYS+ 74 - QE LYS+ 74 (1.00) kept Peak 888 (3.71, 3.71, 61.73 ppm): 1 diagonal assignment: * HA VAL 75 - HA VAL 75 (1.00) kept Peak 889 (1.00, 3.71, 61.73 ppm): 6 chemical-shift based assignments, quality = 0.97, support = 3.45, residual support = 69.8: * O T HB VAL 75 - HA VAL 75 16.667% * 96.3982% (1.00 10.0 10.00 3.43 71.74) = 96.398% kept HG3 LYS+ 74 - HA VAL 75 16.667% * 3.4675% (0.18 1.0 1.00 3.91 18.48) = 3.468% kept QD2 LEU 40 - HA VAL 75 16.667% * 0.0425% (0.44 1.0 1.00 0.02 0.02) = 0.042% QD1 LEU 67 - HA VAL 75 16.667% * 0.0382% (0.40 1.0 1.00 0.02 0.02) = 0.038% QG2 ILE 103 - HA VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% QD1 ILE 119 - HA VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 890 (0.44, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 71.7: * O T QG1 VAL 75 - HA VAL 75 50.000% * 99.9078% (1.00 10.0 10.00 4.00 71.74) = 99.908% kept QD1 LEU 115 - HA VAL 75 50.000% * 0.0922% (0.92 1.0 1.00 0.02 0.02) = 0.092% Peak 891 (0.13, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.89, residual support = 69.4: * O T QG2 VAL 75 - HA VAL 75 50.000% * 96.6919% (1.00 10.0 10.00 4.00 71.74) = 96.692% kept QG2 VAL 42 - HA VAL 75 50.000% * 3.3081% (0.95 1.0 1.00 0.72 0.11) = 3.308% kept Peak 892 (3.71, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.43, residual support = 71.7: * O T HA VAL 75 - HB VAL 75 50.000% * 99.9146% (1.00 10.0 10.00 3.43 71.74) = 99.915% kept HD3 PRO 58 - HB VAL 75 50.000% * 0.0854% (0.85 1.0 1.00 0.02 0.02) = 0.085% Peak 893 (1.00, 1.00, 35.37 ppm): 1 diagonal assignment: * HB VAL 75 - HB VAL 75 (1.00) kept Peak 894 (0.44, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 3.36, residual support = 71.4: * O T QG1 VAL 75 - HB VAL 75 50.000% * 99.5779% (1.00 10.0 10.00 3.37 71.74) = 99.578% kept QD1 LEU 115 - HB VAL 75 50.000% * 0.4221% (0.92 1.0 1.00 0.09 0.02) = 0.422% Peak 895 (0.13, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 3.12, residual support = 67.5: * O T QG2 VAL 75 - HB VAL 75 50.000% * 94.0264% (1.00 10.0 10.00 3.31 71.74) = 94.026% kept T QG2 VAL 42 - HB VAL 75 50.000% * 5.9736% (0.95 1.0 10.00 0.13 0.11) = 5.974% kept Peak 896 (3.71, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 71.1: * O T HA VAL 75 - QG1 VAL 75 50.000% * 99.0984% (1.00 10.0 10.00 4.00 71.74) = 99.098% kept HD3 PRO 58 - QG1 VAL 75 50.000% * 0.9016% (0.85 1.0 1.00 0.21 0.02) = 0.902% Peak 897 (1.00, 0.44, 21.81 ppm): 6 chemical-shift based assignments, quality = 0.971, support = 3.38, residual support = 69.8: * O T HB VAL 75 - QG1 VAL 75 16.667% * 96.4447% (1.00 10.0 10.00 3.37 71.74) = 96.445% kept HG3 LYS+ 74 - QG1 VAL 75 16.667% * 3.4209% (0.18 1.0 1.00 3.86 18.48) = 3.421% kept QD2 LEU 40 - QG1 VAL 75 16.667% * 0.0425% (0.44 1.0 1.00 0.02 0.02) = 0.043% QD1 LEU 67 - QG1 VAL 75 16.667% * 0.0383% (0.40 1.0 1.00 0.02 0.02) = 0.038% QG2 ILE 103 - QG1 VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% QD1 ILE 119 - QG1 VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 898 (0.44, 0.44, 21.81 ppm): 1 diagonal assignment: * QG1 VAL 75 - QG1 VAL 75 (1.00) kept Peak 899 (0.13, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.89, residual support = 69.4: * O T QG2 VAL 75 - QG1 VAL 75 50.000% * 96.7259% (1.00 10.0 10.00 4.00 71.74) = 96.726% kept QG2 VAL 42 - QG1 VAL 75 50.000% * 3.2741% (0.95 1.0 1.00 0.71 0.11) = 3.274% kept Peak 900 (3.71, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 71.7: * O T HA VAL 75 - QG2 VAL 75 50.000% * 99.9146% (1.00 10.0 10.00 4.00 71.74) = 99.915% kept HD3 PRO 58 - QG2 VAL 75 50.000% * 0.0854% (0.85 1.0 1.00 0.02 0.02) = 0.085% Peak 901 (1.00, 0.13, 21.81 ppm): 6 chemical-shift based assignments, quality = 0.971, support = 3.32, residual support = 69.8: * O T HB VAL 75 - QG2 VAL 75 16.667% * 96.4679% (1.00 10.0 10.00 3.31 71.74) = 96.468% kept HG3 LYS+ 74 - QG2 VAL 75 16.667% * 3.3977% (0.18 1.0 1.00 3.83 18.48) = 3.398% kept QD2 LEU 40 - QG2 VAL 75 16.667% * 0.0425% (0.44 1.0 1.00 0.02 0.02) = 0.043% QD1 LEU 67 - QG2 VAL 75 16.667% * 0.0383% (0.40 1.0 1.00 0.02 0.02) = 0.038% QG2 ILE 103 - QG2 VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% QD1 ILE 119 - QG2 VAL 75 16.667% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 902 (0.44, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 71.7: * O T QG1 VAL 75 - QG2 VAL 75 50.000% * 99.9078% (1.00 10.0 10.00 4.00 71.74) = 99.908% kept QD1 LEU 115 - QG2 VAL 75 50.000% * 0.0922% (0.92 1.0 1.00 0.02 0.02) = 0.092% Peak 903 (0.13, 0.13, 21.81 ppm): 1 diagonal assignment: * QG2 VAL 75 - QG2 VAL 75 (1.00) kept Peak 904 (5.02, 5.02, 52.40 ppm): 1 diagonal assignment: * HA ASP- 76 - HA ASP- 76 (1.00) kept Peak 905 (2.90, 5.02, 52.40 ppm): 3 chemical-shift based assignments, quality = 0.982, support = 2.66, residual support = 22.5: * O T HB2 ASP- 76 - HA ASP- 76 33.333% * 95.2469% (1.00 10.0 10.00 2.72 23.40) = 95.247% kept HB2 ASP- 78 - HA ASP- 76 33.333% * 4.6605% (0.63 1.0 1.00 1.55 5.31) = 4.661% kept HB2 ASN 69 - HA ASP- 76 33.333% * 0.0925% (0.97 1.0 1.00 0.02 0.02) = 0.093% Peak 906 (2.24, 5.02, 52.40 ppm): 7 chemical-shift based assignments, quality = 0.811, support = 1.83, residual support = 23.3: * O T HB3 ASP- 76 - HA ASP- 76 14.286% * 99.5524% (0.81 10.0 10.00 1.83 23.40) = 99.552% kept HB2 ASP- 105 - HA ASP- 76 14.286% * 0.1206% (0.99 1.0 1.00 0.02 0.02) = 0.121% HG3 MET 92 - HA ASP- 76 14.286% * 0.0996% (0.81 1.0 1.00 0.02 0.02) = 0.100% HG2 GLU- 100 - HA ASP- 76 14.286% * 0.0887% (0.73 1.0 1.00 0.02 0.02) = 0.089% HB2 GLU- 29 - HA ASP- 76 14.286% * 0.0830% (0.68 1.0 1.00 0.02 0.02) = 0.083% HG12 ILE 119 - HA ASP- 76 14.286% * 0.0298% (0.24 1.0 1.00 0.02 0.02) = 0.030% HB2 MET 96 - HA ASP- 76 14.286% * 0.0260% (0.21 1.0 1.00 0.02 0.02) = 0.026% Peak 907 (5.02, 2.90, 42.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.72, residual support = 23.4: * O T HA ASP- 76 - HB2 ASP- 76 100.000% *100.0000% (1.00 10.0 10.00 2.72 23.40) = 100.000% kept Peak 908 (2.90, 2.90, 42.19 ppm): 1 diagonal assignment: * HB2 ASP- 76 - HB2 ASP- 76 (1.00) kept Peak 909 (2.24, 2.90, 42.19 ppm): 7 chemical-shift based assignments, quality = 0.811, support = 2.58, residual support = 23.3: * O T HB3 ASP- 76 - HB2 ASP- 76 14.286% * 99.5524% (0.81 10.0 10.00 2.59 23.40) = 99.552% kept HB2 ASP- 105 - HB2 ASP- 76 14.286% * 0.1206% (0.99 1.0 1.00 0.02 0.02) = 0.121% HG3 MET 92 - HB2 ASP- 76 14.286% * 0.0996% (0.81 1.0 1.00 0.02 0.02) = 0.100% HG2 GLU- 100 - HB2 ASP- 76 14.286% * 0.0887% (0.73 1.0 1.00 0.02 0.02) = 0.089% HB2 GLU- 29 - HB2 ASP- 76 14.286% * 0.0830% (0.68 1.0 1.00 0.02 0.02) = 0.083% HG12 ILE 119 - HB2 ASP- 76 14.286% * 0.0298% (0.24 1.0 1.00 0.02 0.02) = 0.030% HB2 MET 96 - HB2 ASP- 76 14.286% * 0.0260% (0.21 1.0 1.00 0.02 0.02) = 0.026% Peak 910 (5.02, 2.24, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 1.83, residual support = 23.4: * O T HA ASP- 76 - HB3 ASP- 76 100.000% *100.0000% (0.81 10.0 10.00 1.83 23.40) = 100.000% kept Peak 911 (2.90, 2.24, 42.19 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.59, residual support = 23.4: * O T HB2 ASP- 76 - HB3 ASP- 76 33.333% * 99.8400% (0.81 10.0 10.00 2.59 23.40) = 99.840% kept HB2 ASN 69 - HB3 ASP- 76 33.333% * 0.0970% (0.79 1.0 1.00 0.02 0.02) = 0.097% HB2 ASP- 78 - HB3 ASP- 76 33.333% * 0.0630% (0.51 1.0 1.00 0.02 5.31) = 0.063% Peak 912 (2.24, 2.24, 42.19 ppm): 1 diagonal assignment: * HB3 ASP- 76 - HB3 ASP- 76 (0.66) kept Peak 913 (3.58, 3.58, 65.17 ppm): 1 diagonal assignment: * HA THR 77 - HA THR 77 (1.00) kept Peak 914 (4.28, 3.58, 65.17 ppm): 11 chemical-shift based assignments, quality = 0.975, support = 2.67, residual support = 30.0: * O T HB THR 77 - HA THR 77 9.091% * 94.7373% (1.00 10.0 10.00 2.73 31.72) = 94.737% kept HA GLU- 79 - HA THR 77 9.091% * 4.7438% (0.58 1.0 1.00 1.72 0.02) = 4.744% kept HA SER 85 - HA THR 77 9.091% * 0.0947% (1.00 1.0 1.00 0.02 0.02) = 0.095% HA ASP- 44 - HA THR 77 9.091% * 0.0935% (0.99 1.0 1.00 0.02 0.02) = 0.094% HA MET 11 - HA THR 77 9.091% * 0.0920% (0.97 1.0 1.00 0.02 0.02) = 0.092% HA ILE 103 - HA THR 77 9.091% * 0.0920% (0.97 1.0 1.00 0.02 0.02) = 0.092% HA THR 39 - HA THR 77 9.091% * 0.0461% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 51 - HA THR 77 9.091% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA ALA 12 - HA THR 77 9.091% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA ASP- 86 - HA THR 77 9.091% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 14 - HA THR 77 9.091% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 915 (1.30, 3.58, 65.17 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 2.61, residual support = 31.3: * O T QG2 THR 77 - HA THR 77 20.000% * 98.6331% (1.00 10.0 10.00 2.63 31.72) = 98.633% kept HG2 LYS+ 38 - HA THR 77 20.000% * 1.2587% (0.31 1.0 1.00 0.81 0.02) = 1.259% kept QB ALA 88 - HA THR 77 20.000% * 0.0716% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG2 LYS+ 99 - HA THR 77 20.000% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% QG2 THR 23 - HA THR 77 20.000% * 0.0156% (0.16 1.0 1.00 0.02 0.69) = 0.016% Peak 916 (3.58, 4.28, 68.30 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.73, residual support = 31.7: * O T HA THR 77 - HB THR 77 33.333% * 99.9370% (1.00 10.0 10.00 2.73 31.72) = 99.937% kept HD2 PRO 93 - HB THR 77 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 TRP 27 - HB THR 77 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 917 (4.28, 4.28, 68.30 ppm): 1 diagonal assignment: * HB THR 77 - HB THR 77 (1.00) kept Peak 918 (1.30, 4.28, 68.30 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 2.23, residual support = 31.6: * O T QG2 THR 77 - HB THR 77 20.000% * 99.7171% (1.00 10.0 10.00 2.24 31.72) = 99.717% kept T QG2 THR 23 - HB THR 77 20.000% * 0.1579% (0.16 1.0 10.00 0.02 0.69) = 0.158% QB ALA 88 - HB THR 77 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG2 LYS+ 38 - HB THR 77 20.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 LYS+ 99 - HB THR 77 20.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 919 (3.58, 1.30, 23.34 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.63, residual support = 31.7: * O T HA THR 77 - QG2 THR 77 33.333% * 99.9370% (1.00 10.0 10.00 2.63 31.72) = 99.937% kept HD2 PRO 93 - QG2 THR 77 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 TRP 27 - QG2 THR 77 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 920 (4.28, 1.30, 23.34 ppm): 11 chemical-shift based assignments, quality = 0.995, support = 2.17, residual support = 30.2: * O T HB THR 77 - QG2 THR 77 9.091% * 95.1385% (1.00 10.0 10.00 2.24 31.72) = 95.139% kept HA ASP- 44 - QG2 THR 77 9.091% * 4.3788% (0.99 1.0 1.00 0.93 0.02) = 4.379% kept HA SER 85 - QG2 THR 77 9.091% * 0.0951% (1.00 1.0 1.00 0.02 0.02) = 0.095% HA MET 11 - QG2 THR 77 9.091% * 0.0924% (0.97 1.0 1.00 0.02 0.02) = 0.092% HA ILE 103 - QG2 THR 77 9.091% * 0.0924% (0.97 1.0 1.00 0.02 0.02) = 0.092% HA GLU- 79 - QG2 THR 77 9.091% * 0.0554% (0.58 1.0 1.00 0.02 0.02) = 0.055% HA THR 39 - QG2 THR 77 9.091% * 0.0463% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA1 GLY 51 - QG2 THR 77 9.091% * 0.0337% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA ALA 12 - QG2 THR 77 9.091% * 0.0265% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA ASP- 86 - QG2 THR 77 9.091% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA GLU- 14 - QG2 THR 77 9.091% * 0.0175% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 921 (1.30, 1.30, 23.34 ppm): 1 diagonal assignment: * QG2 THR 77 - QG2 THR 77 (1.00) kept Peak 922 (4.83, 4.83, 56.44 ppm): 1 diagonal assignment: * HA ASP- 78 - HA ASP- 78 (1.00) kept Peak 923 (2.91, 4.83, 56.44 ppm): 6 chemical-shift based assignments, quality = 0.978, support = 3.23, residual support = 35.1: * O T HB2 ASP- 78 - HA ASP- 78 16.667% * 95.0879% (1.00 10.0 10.00 3.36 36.84) = 95.088% kept HB2 ASP- 76 - HA ASP- 78 16.667% * 2.1899% (0.63 1.0 1.00 0.73 5.31) = 2.190% kept QE LYS+ 33 - HA ASP- 78 16.667% * 1.4940% (0.53 1.0 1.00 0.59 0.14) = 1.494% kept HB2 ASN 69 - HA ASP- 78 16.667% * 1.1673% (0.49 1.0 1.00 0.50 0.02) = 1.167% kept HB2 ASN 28 - HA ASP- 78 16.667% * 0.0377% (0.40 1.0 1.00 0.02 0.02) = 0.038% QE LYS+ 65 - HA ASP- 78 16.667% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 924 (2.78, 4.83, 56.44 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 2.0, residual support = 36.8: * O T HB3 ASP- 78 - HA ASP- 78 25.000% * 99.9266% (1.00 10.0 10.00 2.00 36.84) = 99.927% kept HB3 HIS 122 - HA ASP- 78 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% QE LYS+ 74 - HA ASP- 78 25.000% * 0.0244% (0.24 1.0 1.00 0.02 0.94) = 0.024% QB CYS 50 - HA ASP- 78 25.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 925 (4.83, 2.91, 41.22 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 3.32, residual support = 36.2: * O T HA ASP- 78 - HB2 ASP- 78 25.000% * 98.0042% (1.00 10.0 10.00 3.36 36.84) = 98.004% kept HA LEU 80 - HB2 ASP- 78 25.000% * 1.8951% (0.35 1.0 1.00 1.09 3.49) = 1.895% kept HA THR 23 - HB2 ASP- 78 25.000% * 0.0799% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB THR 23 - HB2 ASP- 78 25.000% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 926 (2.91, 2.91, 41.22 ppm): 1 diagonal assignment: * HB2 ASP- 78 - HB2 ASP- 78 (1.00) kept Peak 927 (2.78, 2.91, 41.22 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 2.87, residual support = 36.8: * O T HB3 ASP- 78 - HB2 ASP- 78 25.000% * 99.9266% (1.00 10.0 10.00 2.87 36.84) = 99.927% kept HB3 HIS 122 - HB2 ASP- 78 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% QE LYS+ 74 - HB2 ASP- 78 25.000% * 0.0244% (0.24 1.0 1.00 0.02 0.94) = 0.024% QB CYS 50 - HB2 ASP- 78 25.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 928 (4.83, 2.78, 41.22 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 2.0, residual support = 36.8: * O T HA ASP- 78 - HB3 ASP- 78 25.000% * 99.8620% (1.00 10.0 10.00 2.00 36.84) = 99.862% kept HA THR 23 - HB3 ASP- 78 25.000% * 0.0814% (0.81 1.0 1.00 0.02 0.02) = 0.081% HA LEU 80 - HB3 ASP- 78 25.000% * 0.0354% (0.35 1.0 1.00 0.02 3.49) = 0.035% HB THR 23 - HB3 ASP- 78 25.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 929 (2.91, 2.78, 41.22 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 2.81, residual support = 36.0: * O T HB2 ASP- 78 - HB3 ASP- 78 16.667% * 97.5836% (1.00 10.0 10.00 2.87 36.84) = 97.584% kept HB2 ASP- 76 - HB3 ASP- 78 16.667% * 1.5741% (0.63 1.0 1.00 0.51 5.31) = 1.574% kept HB2 ASN 69 - HB3 ASP- 78 16.667% * 0.7277% (0.49 1.0 1.00 0.31 0.02) = 0.728% QE LYS+ 33 - HB3 ASP- 78 16.667% * 0.0521% (0.53 1.0 1.00 0.02 0.14) = 0.052% HB2 ASN 28 - HB3 ASP- 78 16.667% * 0.0387% (0.40 1.0 1.00 0.02 0.02) = 0.039% QE LYS+ 65 - HB3 ASP- 78 16.667% * 0.0238% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 930 (2.78, 2.78, 41.22 ppm): 1 diagonal assignment: * HB3 ASP- 78 - HB3 ASP- 78 (1.00) kept Peak 931 (4.27, 4.27, 58.55 ppm): 1 diagonal assignment: * HA GLU- 79 - HA GLU- 79 (1.00) kept Peak 932 (2.31, 4.27, 58.55 ppm): 7 chemical-shift based assignments, quality = 0.974, support = 4.16, residual support = 42.0: * O T HB2 GLU- 79 - HA GLU- 79 14.286% * 94.5891% (1.00 10.0 10.00 4.37 44.44) = 94.589% kept HG2 PRO 52 - HA GLU- 79 14.286% * 3.1241% (0.73 1.0 1.00 0.91 0.02) = 3.124% kept HG3 GLU- 25 - HA GLU- 79 14.286% * 1.0768% (0.49 1.0 1.00 0.47 0.02) = 1.077% kept T HG3 GLU- 36 - HA GLU- 79 14.286% * 0.8987% (0.95 1.0 10.00 0.02 0.02) = 0.899% T QB MET 11 - HA GLU- 79 14.286% * 0.1280% (0.14 1.0 10.00 0.02 0.02) = 0.128% QG GLU- 114 - HA GLU- 79 14.286% * 0.0934% (0.99 1.0 1.00 0.02 0.02) = 0.093% HG2 MET 92 - HA GLU- 79 14.286% * 0.0899% (0.95 1.0 1.00 0.02 0.02) = 0.090% Peak 933 (2.38, 4.27, 58.55 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 44.4: * O T QG GLU- 79 - HA GLU- 79 16.667% * 99.8065% (1.00 10.0 10.00 3.30 44.44) = 99.807% kept QG GLN 32 - HA GLU- 79 16.667% * 0.0813% (0.81 1.0 1.00 0.02 1.44) = 0.081% HB2 GLU- 100 - HA GLU- 79 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 116 - HA GLU- 79 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 PHE 97 - HA GLU- 79 16.667% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB VAL 107 - HA GLU- 79 16.667% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 934 (4.27, 2.31, 31.53 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 4.34, residual support = 44.2: * O T HA GLU- 79 - HB2 GLU- 79 11.111% * 99.4717% (1.00 10.0 10.00 4.37 44.44) = 99.472% kept HA THR 39 - HB2 GLU- 79 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA1 GLY 51 - HB2 GLU- 79 11.111% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ILE 103 - HB2 GLU- 79 11.111% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA SER 85 - HB2 GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB THR 77 - HB2 GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ALA 57 - HB2 GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ASP- 44 - HB2 GLU- 79 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA MET 11 - HB2 GLU- 79 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% Peak 935 (2.31, 2.31, 31.53 ppm): 1 diagonal assignment: * HB2 GLU- 79 - HB2 GLU- 79 (1.00) kept Peak 936 (2.38, 2.31, 31.53 ppm): 6 chemical-shift based assignments, quality = 0.995, support = 2.82, residual support = 43.5: * O T QG GLU- 79 - HB2 GLU- 79 16.667% * 97.9300% (1.00 10.0 10.00 2.86 44.44) = 97.930% kept QG GLN 32 - HB2 GLU- 79 16.667% * 1.9599% (0.81 1.0 1.00 0.49 1.44) = 1.960% kept HB2 GLU- 100 - HB2 GLU- 79 16.667% * 0.0432% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 GLN 116 - HB2 GLU- 79 16.667% * 0.0308% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 PHE 97 - HB2 GLU- 79 16.667% * 0.0180% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB VAL 107 - HB2 GLU- 79 16.667% * 0.0180% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 937 (4.27, 2.38, 37.37 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 3.28, residual support = 44.2: * O T HA GLU- 79 - QG GLU- 79 11.111% * 99.4717% (1.00 10.0 10.00 3.30 44.44) = 99.472% kept HA THR 39 - QG GLU- 79 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA1 GLY 51 - QG GLU- 79 11.111% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ILE 103 - QG GLU- 79 11.111% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA SER 85 - QG GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB THR 77 - QG GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ALA 57 - QG GLU- 79 11.111% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ASP- 44 - QG GLU- 79 11.111% * 0.0484% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA MET 11 - QG GLU- 79 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% Peak 938 (2.31, 2.38, 37.37 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 2.85, residual support = 44.3: * O T HB2 GLU- 79 - QG GLU- 79 14.286% * 99.5782% (1.00 10.0 10.00 2.86 44.44) = 99.578% kept QG GLU- 114 - QG GLU- 79 14.286% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG3 GLU- 36 - QG GLU- 79 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 MET 92 - QG GLU- 79 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 52 - QG GLU- 79 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLU- 25 - QG GLU- 79 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% QB MET 11 - QG GLU- 79 14.286% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 939 (2.38, 2.38, 37.37 ppm): 1 diagonal assignment: * QG GLU- 79 - QG GLU- 79 (1.00) kept Peak 940 (4.81, 4.81, 52.21 ppm): 1 diagonal assignment: * HA LEU 80 - HA LEU 80 (1.00) kept Peak 942 (0.56, 4.81, 52.21 ppm): 6 chemical-shift based assignments, quality = 0.549, support = 4.11, residual support = 46.9: * T QD1 LEU 80 - HA LEU 80 16.667% * 86.4968% (0.53 10.00 4.64 54.12) = 86.497% kept QD2 LEU 63 - HA LEU 80 16.667% * 4.8694% (0.89 1.00 0.67 0.48) = 4.869% kept QG2 VAL 41 - HA LEU 80 16.667% * 4.7687% (0.77 1.00 0.76 0.58) = 4.769% kept QD1 LEU 73 - HA LEU 80 16.667% * 1.6105% (0.21 1.00 0.94 0.02) = 1.611% kept QD1 LEU 63 - HA LEU 80 16.667% * 1.3897% (0.21 1.00 0.81 0.48) = 1.390% kept T QD2 LEU 98 - HA LEU 80 16.667% * 0.8650% (0.53 10.00 0.02 0.02) = 0.865% Peak 943 (4.81, 1.41, 40.36 ppm): 5 chemical-shift based assignments, quality = 0.984, support = 4.84, residual support = 50.9: * O HA LEU 80 - HB2 LEU 80 20.000% * 93.7801% (1.00 10.0 5.12 54.12) = 93.780% kept HB THR 23 - HB2 LEU 80 20.000% * 2.6576% (0.95 1.0 0.60 1.52) = 2.658% kept HA THR 23 - HB2 LEU 80 20.000% * 2.2570% (0.73 1.0 0.66 1.52) = 2.257% kept HA ASP- 78 - HB2 LEU 80 20.000% * 1.2417% (0.35 1.0 0.75 3.49) = 1.242% kept HA ASP- 105 - HB2 LEU 80 20.000% * 0.0637% (0.68 1.0 0.02 0.02) = 0.064% Peak 944 (1.41, 1.41, 40.36 ppm): 1 diagonal assignment: * HB2 LEU 80 - HB2 LEU 80 (1.00) kept Peak 945 (0.56, 1.41, 40.36 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 2.37, residual support = 30.9: * O T QD1 LEU 80 - HB2 LEU 80 16.667% * 56.6373% (0.53 10.0 10.00 3.52 54.12) = 56.637% kept T QG2 VAL 41 - HB2 LEU 80 16.667% * 37.5848% (0.77 1.0 10.00 0.92 0.58) = 37.585% kept QD2 LEU 63 - HB2 LEU 80 16.667% * 2.2762% (0.89 1.0 1.00 0.48 0.48) = 2.276% kept T QD2 LEU 98 - HB2 LEU 80 16.667% * 2.2275% (0.53 1.0 10.00 0.08 0.02) = 2.228% kept QD1 LEU 73 - HB2 LEU 80 16.667% * 1.2517% (0.21 1.0 1.00 1.11 0.02) = 1.252% kept QD1 LEU 63 - HB2 LEU 80 16.667% * 0.0225% (0.21 1.0 1.00 0.02 0.48) = 0.023% Peak 946 (4.81, 0.56, 25.66 ppm): 10 chemical-shift based assignments, quality = 0.52, support = 4.27, residual support = 48.5: * T HA LEU 80 - QD1 LEU 80 10.000% * 89.2759% (0.53 10.00 4.64 54.12) = 89.276% kept HB THR 23 - QD1 LEU 80 10.000% * 5.1908% (0.51 1.00 1.22 1.52) = 5.191% kept HA THR 23 - QD1 LEU 80 10.000% * 4.3296% (0.39 1.00 1.34 1.52) = 4.330% kept T HA LEU 80 - QD2 LEU 98 10.000% * 0.5117% (0.31 10.00 0.02 0.02) = 0.512% HA ASP- 78 - QD1 LEU 80 10.000% * 0.4927% (0.19 1.00 0.31 3.49) = 0.493% HA ASP- 105 - QD1 LEU 80 10.000% * 0.0606% (0.36 1.00 0.02 0.02) = 0.061% HB THR 23 - QD2 LEU 98 10.000% * 0.0486% (0.29 1.00 0.02 0.02) = 0.049% HA THR 23 - QD2 LEU 98 10.000% * 0.0372% (0.22 1.00 0.02 0.02) = 0.037% HA ASP- 105 - QD2 LEU 98 10.000% * 0.0347% (0.21 1.00 0.02 8.10) = 0.035% HA ASP- 78 - QD2 LEU 98 10.000% * 0.0181% (0.11 1.00 0.02 0.02) = 0.018% Peak 948 (0.56, 0.56, 25.66 ppm): 2 diagonal assignments: * QD1 LEU 80 - QD1 LEU 80 (0.29) kept QD2 LEU 98 - QD2 LEU 98 (0.16) kept Peak 949 (4.10, 4.10, 60.05 ppm): 1 diagonal assignment: * HA LYS+ 81 - HA LYS+ 81 (1.00) kept Peak 950 (1.87, 4.10, 60.05 ppm): 12 chemical-shift based assignments, quality = 0.971, support = 4.5, residual support = 73.2: * O T QB LYS+ 81 - HA LYS+ 81 8.333% * 86.9019% (1.00 10.0 10.00 5.04 83.78) = 86.902% kept QB LYS+ 33 - HA LYS+ 81 8.333% * 6.5908% (0.95 1.0 1.00 1.60 5.24) = 6.591% kept T HG3 PRO 68 - HA LYS+ 81 8.333% * 5.3594% (0.73 1.0 10.00 0.17 0.02) = 5.359% kept T HG2 ARG+ 54 - HA LYS+ 81 8.333% * 0.7081% (0.81 1.0 10.00 0.02 0.02) = 0.708% QB LYS+ 106 - HA LYS+ 81 8.333% * 0.0866% (1.00 1.0 1.00 0.02 0.02) = 0.087% HB3 GLN 90 - HA LYS+ 81 8.333% * 0.0858% (0.99 1.0 1.00 0.02 0.02) = 0.086% HB3 ASP- 105 - HA LYS+ 81 8.333% * 0.0743% (0.85 1.0 1.00 0.02 0.02) = 0.074% HB ILE 103 - HA LYS+ 81 8.333% * 0.0671% (0.77 1.0 1.00 0.02 0.02) = 0.067% HB ILE 56 - HA LYS+ 81 8.333% * 0.0548% (0.63 1.0 1.00 0.02 0.02) = 0.055% HB3 LYS+ 38 - HA LYS+ 81 8.333% * 0.0383% (0.44 1.0 1.00 0.02 0.02) = 0.038% HB3 GLN 30 - HA LYS+ 81 8.333% * 0.0212% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB2 MET 92 - HA LYS+ 81 8.333% * 0.0118% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 951 (1.56, 4.10, 60.05 ppm): 3 chemical-shift based assignments, quality = 0.95, support = 3.5, residual support = 68.7: * O T QG LYS+ 81 - HA LYS+ 81 33.333% * 80.9027% (1.00 10.0 10.00 4.19 83.78) = 80.903% kept T HG2 LYS+ 33 - HA LYS+ 81 33.333% * 18.2986% (0.77 1.0 10.00 0.59 5.24) = 18.299% kept T HG2 LYS+ 106 - HA LYS+ 81 33.333% * 0.7987% (0.99 1.0 10.00 0.02 0.02) = 0.799% Peak 952 (1.77, 4.10, 60.05 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 83.6: * T QD LYS+ 81 - HA LYS+ 81 25.000% * 99.7706% (1.00 10.00 3.43 83.78) = 99.771% kept HB2 LYS+ 99 - HA LYS+ 81 25.000% * 0.0995% (1.00 1.00 0.02 0.02) = 0.099% HB VAL 43 - HA LYS+ 81 25.000% * 0.0985% (0.99 1.00 0.02 0.02) = 0.099% HB3 GLN 17 - HA LYS+ 81 25.000% * 0.0314% (0.31 1.00 0.02 0.02) = 0.031% Peak 953 (3.11, 4.10, 60.05 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.43, residual support = 83.8: * T QE LYS+ 81 - HA LYS+ 81 100.000% *100.0000% (1.00 10.00 3.43 83.78) = 100.000% kept Peak 954 (4.10, 1.87, 32.96 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 5.01, residual support = 83.2: * O T HA LYS+ 81 - QB LYS+ 81 25.000% * 99.3057% (1.00 10.0 10.00 5.04 83.78) = 99.306% kept T HA ARG+ 54 - QB LYS+ 81 25.000% * 0.5304% (0.53 1.0 10.00 0.02 0.02) = 0.530% HA GLU- 36 - QB LYS+ 81 25.000% * 0.0965% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA ALA 124 - QB LYS+ 81 25.000% * 0.0674% (0.68 1.0 1.00 0.02 0.02) = 0.067% Peak 955 (1.87, 1.87, 32.96 ppm): 1 diagonal assignment: * QB LYS+ 81 - QB LYS+ 81 (1.00) kept Peak 956 (1.56, 1.87, 32.96 ppm): 3 chemical-shift based assignments, quality = 0.94, support = 3.77, residual support = 65.2: * O T QG LYS+ 81 - QB LYS+ 81 33.333% * 76.3616% (1.00 10.0 10.00 4.70 83.78) = 76.362% kept T HG2 LYS+ 33 - QB LYS+ 81 33.333% * 22.8845% (0.77 1.0 10.00 0.78 5.24) = 22.884% kept T HG2 LYS+ 106 - QB LYS+ 81 33.333% * 0.7539% (0.99 1.0 10.00 0.02 0.02) = 0.754% Peak 957 (1.77, 1.87, 32.96 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 83.6: * O T QD LYS+ 81 - QB LYS+ 81 25.000% * 99.7706% (1.00 10.0 10.00 3.88 83.78) = 99.771% kept HB2 LYS+ 99 - QB LYS+ 81 25.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB VAL 43 - QB LYS+ 81 25.000% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.099% HB3 GLN 17 - QB LYS+ 81 25.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 958 (3.11, 1.87, 32.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.88, residual support = 83.8: * QE LYS+ 81 - QB LYS+ 81 100.000% *100.0000% (1.00 3.88 83.78) = 100.000% kept Peak 959 (4.10, 1.56, 25.02 ppm): 12 chemical-shift based assignments, quality = 0.93, support = 3.75, residual support = 74.3: * O T HA LYS+ 81 - QG LYS+ 81 8.333% * 87.9317% (1.00 10.0 10.00 4.19 83.78) = 87.932% kept T HA LYS+ 81 - HG2 LYS+ 33 8.333% * 11.4001% (0.44 1.0 10.00 0.59 5.24) = 11.400% kept HA ARG+ 54 - QG LYS+ 81 8.333% * 0.2033% (0.53 1.0 1.00 0.09 0.02) = 0.203% T HA LYS+ 81 - HG2 LYS+ 106 8.333% * 0.1927% (0.22 1.0 10.00 0.02 0.02) = 0.193% HA GLU- 36 - QG LYS+ 81 8.333% * 0.0854% (0.97 1.0 1.00 0.02 0.02) = 0.085% HA ALA 124 - QG LYS+ 81 8.333% * 0.0597% (0.68 1.0 1.00 0.02 0.02) = 0.060% HA GLU- 36 - HG2 LYS+ 33 8.333% * 0.0378% (0.43 1.0 1.00 0.02 0.02) = 0.038% HA ALA 124 - HG2 LYS+ 33 8.333% * 0.0264% (0.30 1.0 1.00 0.02 0.02) = 0.026% HA ARG+ 54 - HG2 LYS+ 33 8.333% * 0.0208% (0.24 1.0 1.00 0.02 0.33) = 0.021% HA GLU- 36 - HG2 LYS+ 106 8.333% * 0.0187% (0.21 1.0 1.00 0.02 0.02) = 0.019% HA ALA 124 - HG2 LYS+ 106 8.333% * 0.0131% (0.15 1.0 1.00 0.02 0.02) = 0.013% HA ARG+ 54 - HG2 LYS+ 106 8.333% * 0.0103% (0.12 1.0 1.00 0.02 0.02) = 0.010% Peak 960 (1.87, 1.56, 25.02 ppm): 36 chemical-shift based assignments, quality = 0.773, support = 3.93, residual support = 69.6: * O T QB LYS+ 81 - QG LYS+ 81 2.778% * 44.1489% (1.00 10.0 10.00 4.70 83.78) = 44.149% kept T QB LYS+ 33 - QG LYS+ 81 2.778% * 23.6372% (0.95 1.0 10.00 1.13 5.24) = 23.637% kept O T QB LYS+ 33 - HG2 LYS+ 33 2.778% * 18.5535% (0.42 10.0 10.00 5.43 115.75) = 18.553% kept O T QB LYS+ 106 - HG2 LYS+ 106 2.778% * 9.6452% (0.22 10.0 10.00 5.21 99.98) = 9.645% kept HB3 ASP- 105 - HG2 LYS+ 106 2.778% * 1.7556% (0.19 1.0 1.00 4.24 16.97) = 1.756% kept T QB LYS+ 106 - HG2 LYS+ 33 2.778% * 1.0326% (0.44 1.0 10.00 0.11 0.02) = 1.033% kept T QB LYS+ 106 - QG LYS+ 81 2.778% * 0.4401% (1.00 1.0 10.00 0.02 0.02) = 0.440% T QB LYS+ 81 - HG2 LYS+ 33 2.778% * 0.1953% (0.44 1.0 10.00 0.02 5.24) = 0.195% T QB LYS+ 81 - HG2 LYS+ 106 2.778% * 0.0968% (0.22 1.0 10.00 0.02 0.02) = 0.097% T QB LYS+ 33 - HG2 LYS+ 106 2.778% * 0.0919% (0.21 1.0 10.00 0.02 0.02) = 0.092% HB3 GLN 90 - QG LYS+ 81 2.778% * 0.0436% (0.99 1.0 1.00 0.02 0.02) = 0.044% HB3 ASP- 105 - QG LYS+ 81 2.778% * 0.0377% (0.85 1.0 1.00 0.02 0.02) = 0.038% HG2 ARG+ 54 - QG LYS+ 81 2.778% * 0.0360% (0.81 1.0 1.00 0.02 0.02) = 0.036% HB ILE 103 - QG LYS+ 81 2.778% * 0.0341% (0.77 1.0 1.00 0.02 0.02) = 0.034% HG3 PRO 68 - QG LYS+ 81 2.778% * 0.0321% (0.73 1.0 1.00 0.02 0.02) = 0.032% HB ILE 56 - QG LYS+ 81 2.778% * 0.0278% (0.63 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 38 - QG LYS+ 81 2.778% * 0.0195% (0.44 1.0 1.00 0.02 0.02) = 0.019% HB3 GLN 90 - HG2 LYS+ 33 2.778% * 0.0193% (0.44 1.0 1.00 0.02 0.02) = 0.019% HB3 ASP- 105 - HG2 LYS+ 33 2.778% * 0.0167% (0.38 1.0 1.00 0.02 0.21) = 0.017% HG2 ARG+ 54 - HG2 LYS+ 33 2.778% * 0.0159% (0.36 1.0 1.00 0.02 0.33) = 0.016% HB ILE 103 - HG2 LYS+ 33 2.778% * 0.0151% (0.34 1.0 1.00 0.02 0.02) = 0.015% HG3 PRO 68 - HG2 LYS+ 33 2.778% * 0.0142% (0.32 1.0 1.00 0.02 0.02) = 0.014% HB ILE 56 - HG2 LYS+ 33 2.778% * 0.0123% (0.28 1.0 1.00 0.02 0.02) = 0.012% HB3 GLN 30 - QG LYS+ 81 2.778% * 0.0108% (0.24 1.0 1.00 0.02 0.02) = 0.011% HB3 GLN 90 - HG2 LYS+ 106 2.778% * 0.0096% (0.22 1.0 1.00 0.02 0.02) = 0.010% HB3 LYS+ 38 - HG2 LYS+ 33 2.778% * 0.0086% (0.19 1.0 1.00 0.02 0.02) = 0.009% HG2 ARG+ 54 - HG2 LYS+ 106 2.778% * 0.0079% (0.18 1.0 1.00 0.02 0.02) = 0.008% HB ILE 103 - HG2 LYS+ 106 2.778% * 0.0075% (0.17 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 68 - HG2 LYS+ 106 2.778% * 0.0070% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB ILE 56 - HG2 LYS+ 106 2.778% * 0.0061% (0.14 1.0 1.00 0.02 0.02) = 0.006% HB2 MET 92 - QG LYS+ 81 2.778% * 0.0060% (0.14 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 30 - HG2 LYS+ 33 2.778% * 0.0048% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 38 - HG2 LYS+ 106 2.778% * 0.0043% (0.10 1.0 1.00 0.02 0.02) = 0.004% HB2 MET 92 - HG2 LYS+ 33 2.778% * 0.0026% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB3 GLN 30 - HG2 LYS+ 106 2.778% * 0.0024% (0.05 1.0 1.00 0.02 0.02) = 0.002% HB2 MET 92 - HG2 LYS+ 106 2.778% * 0.0013% (0.03 1.0 1.00 0.02 0.02) = 0.001% Peak 961 (1.56, 1.56, 25.02 ppm): 3 diagonal assignments: * QG LYS+ 81 - QG LYS+ 81 (1.00) kept HG2 LYS+ 33 - HG2 LYS+ 33 (0.34) kept HG2 LYS+ 106 - HG2 LYS+ 106 (0.22) kept Peak 962 (1.77, 1.56, 25.02 ppm): 12 chemical-shift based assignments, quality = 0.978, support = 3.48, residual support = 81.0: * O T QD LYS+ 81 - QG LYS+ 81 8.333% * 96.5617% (1.00 10.0 10.00 3.60 83.78) = 96.562% kept T QD LYS+ 81 - HG2 LYS+ 33 8.333% * 2.8578% (0.44 1.0 10.00 0.13 5.24) = 2.858% kept T QD LYS+ 81 - HG2 LYS+ 106 8.333% * 0.2116% (0.22 1.0 10.00 0.02 0.02) = 0.212% HB2 LYS+ 99 - QG LYS+ 81 8.333% * 0.0963% (1.00 1.0 1.00 0.02 0.02) = 0.096% HB VAL 43 - QG LYS+ 81 8.333% * 0.0953% (0.99 1.0 1.00 0.02 0.02) = 0.095% HB2 LYS+ 99 - HG2 LYS+ 33 8.333% * 0.0426% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB VAL 43 - HG2 LYS+ 33 8.333% * 0.0422% (0.44 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 17 - QG LYS+ 81 8.333% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LYS+ 99 - HG2 LYS+ 106 8.333% * 0.0211% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB VAL 43 - HG2 LYS+ 106 8.333% * 0.0209% (0.22 1.0 1.00 0.02 1.87) = 0.021% HB3 GLN 17 - HG2 LYS+ 33 8.333% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 GLN 17 - HG2 LYS+ 106 8.333% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 963 (3.11, 1.56, 25.02 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.6, residual support = 83.7: * O QE LYS+ 81 - QG LYS+ 81 33.333% * 99.9339% (1.00 10.0 3.60 83.78) = 99.934% kept QE LYS+ 81 - HG2 LYS+ 33 33.333% * 0.0442% (0.44 1.0 0.02 5.24) = 0.044% QE LYS+ 81 - HG2 LYS+ 106 33.333% * 0.0219% (0.22 1.0 0.02 0.02) = 0.022% Peak 964 (4.10, 1.77, 29.62 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 83.6: * T HA LYS+ 81 - QD LYS+ 81 25.000% * 99.7820% (1.00 10.00 3.43 83.78) = 99.782% kept HA GLU- 36 - QD LYS+ 81 25.000% * 0.0969% (0.97 1.00 0.02 0.02) = 0.097% HA ALA 124 - QD LYS+ 81 25.000% * 0.0677% (0.68 1.00 0.02 0.02) = 0.068% HA ARG+ 54 - QD LYS+ 81 25.000% * 0.0533% (0.53 1.00 0.02 0.02) = 0.053% Peak 965 (1.87, 1.77, 29.62 ppm): 12 chemical-shift based assignments, quality = 0.992, support = 3.77, residual support = 81.1: * O T QB LYS+ 81 - QD LYS+ 81 8.333% * 96.6152% (1.00 10.0 10.00 3.88 83.78) = 96.615% kept QB LYS+ 33 - QD LYS+ 81 8.333% * 2.7469% (0.95 1.0 1.00 0.60 5.24) = 2.747% kept QB LYS+ 106 - QD LYS+ 81 8.333% * 0.0963% (1.00 1.0 1.00 0.02 0.02) = 0.096% HB3 GLN 90 - QD LYS+ 81 8.333% * 0.0954% (0.99 1.0 1.00 0.02 0.02) = 0.095% HB3 ASP- 105 - QD LYS+ 81 8.333% * 0.0826% (0.85 1.0 1.00 0.02 0.02) = 0.083% HG2 ARG+ 54 - QD LYS+ 81 8.333% * 0.0787% (0.81 1.0 1.00 0.02 0.02) = 0.079% HB ILE 103 - QD LYS+ 81 8.333% * 0.0746% (0.77 1.0 1.00 0.02 0.02) = 0.075% HG3 PRO 68 - QD LYS+ 81 8.333% * 0.0702% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB ILE 56 - QD LYS+ 81 8.333% * 0.0609% (0.63 1.0 1.00 0.02 0.02) = 0.061% HB3 LYS+ 38 - QD LYS+ 81 8.333% * 0.0426% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 30 - QD LYS+ 81 8.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB2 MET 92 - QD LYS+ 81 8.333% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 966 (1.56, 1.77, 29.62 ppm): 3 chemical-shift based assignments, quality = 0.983, support = 3.54, residual support = 82.3: * O T QG LYS+ 81 - QD LYS+ 81 33.333% * 98.2715% (1.00 10.0 10.00 3.60 83.78) = 98.271% kept T HG2 LYS+ 106 - QD LYS+ 81 33.333% * 0.9702% (0.99 1.0 10.00 0.02 0.02) = 0.970% T HG2 LYS+ 33 - QD LYS+ 81 33.333% * 0.7583% (0.77 1.0 10.00 0.02 5.24) = 0.758% Peak 967 (1.77, 1.77, 29.62 ppm): 1 diagonal assignment: * QD LYS+ 81 - QD LYS+ 81 (1.00) kept Peak 968 (3.11, 1.77, 29.62 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.0, residual support = 83.8: * O QE LYS+ 81 - QD LYS+ 81 100.000% *100.0000% (1.00 10.0 3.00 83.78) = 100.000% kept Peak 969 (4.10, 3.11, 42.12 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 83.6: * T HA LYS+ 81 - QE LYS+ 81 25.000% * 99.7820% (1.00 10.00 3.43 83.78) = 99.782% kept HA GLU- 36 - QE LYS+ 81 25.000% * 0.0969% (0.97 1.00 0.02 0.02) = 0.097% HA ALA 124 - QE LYS+ 81 25.000% * 0.0677% (0.68 1.00 0.02 0.02) = 0.068% HA ARG+ 54 - QE LYS+ 81 25.000% * 0.0533% (0.53 1.00 0.02 0.02) = 0.053% Peak 973 (3.11, 3.11, 42.12 ppm): 1 diagonal assignment: * QE LYS+ 81 - QE LYS+ 81 (1.00) kept Peak 974 (4.20, 4.20, 61.23 ppm): 2 diagonal assignments: * HA SER 82 - HA SER 82 (1.00) kept HA GLU- 25 - HA GLU- 25 (0.13) kept Peak 975 (3.99, 4.20, 61.23 ppm): 20 chemical-shift based assignments, quality = 0.848, support = 2.47, residual support = 23.4: * O T HB2 SER 82 - HA SER 82 5.000% * 89.9045% (0.92 10.0 10.00 2.70 26.02) = 89.905% kept T HB2 SER 82 - HA GLU- 25 5.000% * 7.7084% (0.24 1.0 10.00 0.66 0.10) = 7.708% kept T HA SER 48 - HA SER 82 5.000% * 0.8990% (0.92 1.0 10.00 0.02 0.02) = 0.899% HA GLU- 29 - HA SER 82 5.000% * 0.4667% (0.81 1.0 1.00 0.12 0.02) = 0.467% T HA VAL 70 - HA SER 82 5.000% * 0.2708% (0.28 1.0 10.00 0.02 0.02) = 0.271% T HA SER 48 - HA GLU- 25 5.000% * 0.2337% (0.24 1.0 10.00 0.02 0.02) = 0.234% HA VAL 18 - HA SER 82 5.000% * 0.0833% (0.85 1.0 1.00 0.02 0.02) = 0.083% T HA VAL 70 - HA GLU- 25 5.000% * 0.0704% (0.07 1.0 10.00 0.02 0.02) = 0.070% HA ALA 88 - HA SER 82 5.000% * 0.0661% (0.68 1.0 1.00 0.02 0.02) = 0.066% HA LYS+ 33 - HA SER 82 5.000% * 0.0614% (0.63 1.0 1.00 0.02 0.56) = 0.061% HA GLN 32 - HA SER 82 5.000% * 0.0614% (0.63 1.0 1.00 0.02 0.02) = 0.061% HD2 PRO 52 - HA SER 82 5.000% * 0.0386% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA GLN 116 - HA SER 82 5.000% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA VAL 18 - HA GLU- 25 5.000% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HA GLU- 29 - HA GLU- 25 5.000% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA ALA 88 - HA GLU- 25 5.000% * 0.0172% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA GLN 32 - HA GLU- 25 5.000% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA LYS+ 33 - HA GLU- 25 5.000% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HD2 PRO 52 - HA GLU- 25 5.000% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA GLN 116 - HA GLU- 25 5.000% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 976 (3.85, 4.20, 61.23 ppm): 16 chemical-shift based assignments, quality = 0.95, support = 1.84, residual support = 24.3: * O T HB3 SER 82 - HA SER 82 6.250% * 93.3551% (1.00 10.0 10.00 1.93 26.02) = 93.355% kept T HB3 SER 82 - HA GLU- 25 6.250% * 6.1850% (0.26 1.0 10.00 0.51 0.10) = 6.185% kept QB SER 13 - HA SER 82 6.250% * 0.0761% (0.81 1.0 1.00 0.02 0.02) = 0.076% HB THR 39 - HA SER 82 6.250% * 0.0720% (0.77 1.0 1.00 0.02 0.02) = 0.072% HB3 SER 37 - HA SER 82 6.250% * 0.0544% (0.58 1.0 1.00 0.02 0.02) = 0.054% HA ILE 89 - HA SER 82 6.250% * 0.0544% (0.58 1.0 1.00 0.02 0.02) = 0.054% HD3 PRO 52 - HA SER 82 6.250% * 0.0499% (0.53 1.0 1.00 0.02 0.02) = 0.050% HA GLN 30 - HA SER 82 6.250% * 0.0411% (0.44 1.0 1.00 0.02 0.02) = 0.041% QB SER 13 - HA GLU- 25 6.250% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB THR 39 - HA GLU- 25 6.250% * 0.0187% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB THR 118 - HA SER 82 6.250% * 0.0172% (0.18 1.0 1.00 0.02 0.02) = 0.017% HB3 SER 37 - HA GLU- 25 6.250% * 0.0141% (0.15 1.0 1.00 0.02 0.02) = 0.014% HA ILE 89 - HA GLU- 25 6.250% * 0.0141% (0.15 1.0 1.00 0.02 0.02) = 0.014% HD3 PRO 52 - HA GLU- 25 6.250% * 0.0130% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA GLN 30 - HA GLU- 25 6.250% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB THR 118 - HA GLU- 25 6.250% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 977 (4.20, 3.99, 61.93 ppm): 12 chemical-shift based assignments, quality = 0.848, support = 2.39, residual support = 22.2: * O T HA SER 82 - HB2 SER 82 8.333% * 85.2518% (0.92 10.0 10.00 2.70 26.02) = 85.252% kept T HA GLU- 25 - HB2 SER 82 8.333% * 13.6859% (0.45 1.0 10.00 0.66 0.10) = 13.686% kept T HA SER 82 - HA SER 48 8.333% * 0.4681% (0.51 1.0 10.00 0.02 0.02) = 0.468% T HA GLU- 25 - HA SER 48 8.333% * 0.2278% (0.25 1.0 10.00 0.02 0.02) = 0.228% T HA SER 82 - HA VAL 70 8.333% * 0.2052% (0.22 1.0 10.00 0.02 0.02) = 0.205% T HA GLU- 25 - HA VAL 70 8.333% * 0.0999% (0.11 1.0 10.00 0.02 0.02) = 0.100% HA ILE 19 - HB2 SER 82 8.333% * 0.0208% (0.23 1.0 1.00 0.02 0.16) = 0.021% HA ASP- 62 - HB2 SER 82 8.333% * 0.0135% (0.15 1.0 1.00 0.02 0.02) = 0.013% HA ILE 19 - HA SER 48 8.333% * 0.0114% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA ASP- 62 - HA SER 48 8.333% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA ILE 19 - HA VAL 70 8.333% * 0.0050% (0.05 1.0 1.00 0.02 1.17) = 0.005% HA ASP- 62 - HA VAL 70 8.333% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 978 (3.99, 3.99, 61.93 ppm): 3 diagonal assignments: * HB2 SER 82 - HB2 SER 82 (0.85) kept HA SER 48 - HA SER 48 (0.47) kept HA VAL 70 - HA VAL 70 (0.06) kept Peak 979 (3.85, 3.99, 61.93 ppm): 24 chemical-shift based assignments, quality = 0.9, support = 2.21, residual support = 25.4: * O T HB3 SER 82 - HB2 SER 82 4.167% * 97.5261% (0.92 10.0 10.00 2.27 26.02) = 97.526% kept T HB3 SER 82 - HA SER 48 4.167% * 0.5355% (0.51 1.0 10.00 0.02 0.02) = 0.535% T HD3 PRO 52 - HB2 SER 82 4.167% * 0.5209% (0.49 1.0 10.00 0.02 0.02) = 0.521% T HD3 PRO 52 - HA SER 48 4.167% * 0.2860% (0.27 1.0 10.00 0.02 0.02) = 0.286% T HB3 SER 82 - HA VAL 70 4.167% * 0.2347% (0.22 1.0 10.00 0.02 0.02) = 0.235% T QB SER 13 - HA VAL 70 4.167% * 0.1912% (0.18 1.0 10.00 0.02 0.02) = 0.191% T HB3 SER 37 - HA VAL 70 4.167% * 0.1367% (0.13 1.0 10.00 0.02 0.02) = 0.137% QB SER 13 - HB2 SER 82 4.167% * 0.0795% (0.75 1.0 1.00 0.02 0.02) = 0.079% HB THR 39 - HB2 SER 82 4.167% * 0.0753% (0.71 1.0 1.00 0.02 0.02) = 0.075% HB3 SER 37 - HB2 SER 82 4.167% * 0.0568% (0.54 1.0 1.00 0.02 0.02) = 0.057% HA ILE 89 - HB2 SER 82 4.167% * 0.0568% (0.54 1.0 1.00 0.02 0.02) = 0.057% QB SER 13 - HA SER 48 4.167% * 0.0436% (0.41 1.0 1.00 0.02 0.02) = 0.044% HA GLN 30 - HB2 SER 82 4.167% * 0.0430% (0.41 1.0 1.00 0.02 0.02) = 0.043% HB THR 39 - HA SER 48 4.167% * 0.0413% (0.39 1.0 1.00 0.02 0.02) = 0.041% HB3 SER 37 - HA SER 48 4.167% * 0.0312% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA ILE 89 - HA SER 48 4.167% * 0.0312% (0.30 1.0 1.00 0.02 0.02) = 0.031% HA GLN 30 - HA SER 48 4.167% * 0.0236% (0.22 1.0 1.00 0.02 0.02) = 0.024% HB THR 39 - HA VAL 70 4.167% * 0.0181% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB THR 118 - HB2 SER 82 4.167% * 0.0179% (0.17 1.0 1.00 0.02 0.02) = 0.018% HA ILE 89 - HA VAL 70 4.167% * 0.0137% (0.13 1.0 1.00 0.02 0.02) = 0.014% HD3 PRO 52 - HA VAL 70 4.167% * 0.0125% (0.12 1.0 1.00 0.02 0.02) = 0.013% HA GLN 30 - HA VAL 70 4.167% * 0.0103% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB THR 118 - HA SER 48 4.167% * 0.0099% (0.09 1.0 1.00 0.02 0.02) = 0.010% HB THR 118 - HA VAL 70 4.167% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 980 (4.20, 3.85, 61.93 ppm): 4 chemical-shift based assignments, quality = 0.943, support = 1.78, residual support = 23.1: * O T HA SER 82 - HB3 SER 82 25.000% * 88.9322% (1.00 10.0 10.00 1.93 26.02) = 88.932% kept T HA GLU- 25 - HB3 SER 82 25.000% * 11.0320% (0.49 1.0 10.00 0.51 0.10) = 11.032% kept HA ILE 19 - HB3 SER 82 25.000% * 0.0217% (0.24 1.0 1.00 0.02 0.16) = 0.022% HA ASP- 62 - HB3 SER 82 25.000% * 0.0141% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 981 (3.99, 3.85, 61.93 ppm): 10 chemical-shift based assignments, quality = 0.899, support = 2.19, residual support = 25.0: * O T HB2 SER 82 - HB3 SER 82 10.000% * 96.0225% (0.92 10.0 10.00 2.27 26.02) = 96.023% kept HA LYS+ 33 - HB3 SER 82 10.000% * 1.9766% (0.63 1.0 1.00 0.60 0.56) = 1.977% kept T HA SER 48 - HB3 SER 82 10.000% * 0.9602% (0.92 1.0 10.00 0.02 0.02) = 0.960% T HD2 PRO 52 - HB3 SER 82 10.000% * 0.4126% (0.40 1.0 10.00 0.02 0.02) = 0.413% T HA VAL 70 - HB3 SER 82 10.000% * 0.2892% (0.28 1.0 10.00 0.02 0.02) = 0.289% HA VAL 18 - HB3 SER 82 10.000% * 0.0889% (0.85 1.0 1.00 0.02 0.02) = 0.089% HA GLU- 29 - HB3 SER 82 10.000% * 0.0848% (0.81 1.0 1.00 0.02 0.02) = 0.085% HA ALA 88 - HB3 SER 82 10.000% * 0.0706% (0.68 1.0 1.00 0.02 0.02) = 0.071% HA GLN 32 - HB3 SER 82 10.000% * 0.0656% (0.63 1.0 1.00 0.02 0.02) = 0.066% HA GLN 116 - HB3 SER 82 10.000% * 0.0289% (0.28 1.0 1.00 0.02 0.02) = 0.029% Peak 982 (3.85, 3.85, 61.93 ppm): 1 diagonal assignment: * HB3 SER 82 - HB3 SER 82 (1.00) kept Peak 983 (3.81, 3.81, 65.84 ppm): 1 diagonal assignment: * HA VAL 83 - HA VAL 83 (1.00) kept Peak 984 (1.66, 3.81, 65.84 ppm): 8 chemical-shift based assignments, quality = 0.844, support = 3.92, residual support = 73.7: * O T HB VAL 83 - HA VAL 83 12.500% * 98.7382% (0.85 10.0 10.00 3.97 74.65) = 98.738% kept HB2 LYS+ 121 - HA VAL 83 12.500% * 0.5742% (0.95 1.0 1.00 0.10 0.02) = 0.574% T QB ALA 57 - HA VAL 83 12.500% * 0.3638% (0.31 1.0 10.00 0.02 0.02) = 0.364% QD LYS+ 65 - HA VAL 83 12.500% * 0.1066% (0.92 1.0 1.00 0.02 0.02) = 0.107% QD LYS+ 38 - HA VAL 83 12.500% * 0.0784% (0.68 1.0 1.00 0.02 0.02) = 0.078% HD2 LYS+ 74 - HA VAL 83 12.500% * 0.0784% (0.68 1.0 1.00 0.02 0.02) = 0.078% HD3 LYS+ 111 - HA VAL 83 12.500% * 0.0321% (0.28 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - HA VAL 83 12.500% * 0.0282% (0.24 1.0 1.00 0.02 0.02) = 0.028% Peak 985 (0.60, 3.81, 65.84 ppm): 6 chemical-shift based assignments, quality = 0.815, support = 3.88, residual support = 71.7: * O T QG1 VAL 83 - HA VAL 83 16.667% * 96.1000% (0.81 10.0 10.00 4.02 74.65) = 96.100% kept QD1 LEU 104 - HA VAL 83 16.667% * 2.2782% (0.95 1.0 1.00 0.41 0.02) = 2.278% kept QD2 LEU 80 - HA VAL 83 16.667% * 1.4761% (0.73 1.0 1.00 0.34 0.02) = 1.476% kept QD2 LEU 115 - HA VAL 83 16.667% * 0.0801% (0.68 1.0 1.00 0.02 0.02) = 0.080% QD1 LEU 63 - HA VAL 83 16.667% * 0.0328% (0.28 1.0 1.00 0.02 0.02) = 0.033% QD1 LEU 73 - HA VAL 83 16.667% * 0.0328% (0.28 1.0 1.00 0.02 0.02) = 0.033% Peak 986 (0.08, 3.81, 65.84 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 4.02, residual support = 71.0: * O T QG2 VAL 83 - HA VAL 83 33.333% * 94.9554% (1.00 10.0 10.00 4.17 74.65) = 94.955% kept QD1 ILE 89 - HA VAL 83 33.333% * 4.9847% (0.85 1.0 1.00 1.23 1.65) = 4.985% kept QD2 LEU 31 - HA VAL 83 33.333% * 0.0599% (0.63 1.0 1.00 0.02 0.02) = 0.060% Peak 987 (3.81, 1.66, 32.03 ppm): 4 chemical-shift based assignments, quality = 0.845, support = 3.92, residual support = 73.8: * O T HA VAL 83 - HB VAL 83 25.000% * 98.8939% (0.85 10.0 10.00 3.97 74.65) = 98.894% kept T HD2 PRO 58 - HB VAL 83 25.000% * 0.9764% (0.84 1.0 10.00 0.02 0.02) = 0.976% HA GLU- 100 - HB VAL 83 25.000% * 0.0986% (0.85 1.0 1.00 0.02 0.02) = 0.099% HB2 CYS 53 - HB VAL 83 25.000% * 0.0312% (0.27 1.0 1.00 0.02 1.63) = 0.031% Peak 988 (1.66, 1.66, 32.03 ppm): 1 diagonal assignment: * HB VAL 83 - HB VAL 83 (0.73) kept Peak 989 (0.60, 1.66, 32.03 ppm): 6 chemical-shift based assignments, quality = 0.697, support = 4.06, residual support = 71.0: * O T QG1 VAL 83 - HB VAL 83 16.667% * 95.1264% (0.70 10.0 10.00 4.24 74.65) = 95.126% kept QD1 LEU 104 - HB VAL 83 16.667% * 2.8697% (0.81 1.0 1.00 0.52 0.02) = 2.870% kept QD2 LEU 80 - HB VAL 83 16.667% * 1.8598% (0.62 1.0 1.00 0.44 0.02) = 1.860% kept QD2 LEU 115 - HB VAL 83 16.667% * 0.0793% (0.58 1.0 1.00 0.02 0.02) = 0.079% QD1 LEU 63 - HB VAL 83 16.667% * 0.0325% (0.24 1.0 1.00 0.02 0.02) = 0.032% QD1 LEU 73 - HB VAL 83 16.667% * 0.0325% (0.24 1.0 1.00 0.02 0.02) = 0.032% Peak 990 (0.08, 1.66, 32.03 ppm): 3 chemical-shift based assignments, quality = 0.848, support = 4.2, residual support = 70.6: * O T QG2 VAL 83 - HB VAL 83 33.333% * 94.4277% (0.85 10.0 10.00 4.37 74.65) = 94.428% kept QD1 ILE 89 - HB VAL 83 33.333% * 5.5127% (0.73 1.0 1.00 1.37 1.65) = 5.513% kept QD2 LEU 31 - HB VAL 83 33.333% * 0.0596% (0.54 1.0 1.00 0.02 0.02) = 0.060% Peak 991 (3.81, 0.60, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.807, support = 3.98, residual support = 73.9: * O T HA VAL 83 - QG1 VAL 83 25.000% * 99.0258% (0.81 10.0 10.00 4.02 74.65) = 99.026% kept HA GLU- 100 - QG1 VAL 83 25.000% * 0.8452% (0.81 1.0 1.00 0.17 0.02) = 0.845% HD2 PRO 58 - QG1 VAL 83 25.000% * 0.0978% (0.80 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - QG1 VAL 83 25.000% * 0.0312% (0.26 1.0 1.00 0.02 1.63) = 0.031% Peak 992 (1.66, 0.60, 22.78 ppm): 8 chemical-shift based assignments, quality = 0.69, support = 4.2, residual support = 73.9: * O T HB VAL 83 - QG1 VAL 83 12.500% * 99.0626% (0.70 10.0 10.00 4.24 74.65) = 99.063% kept HB2 LYS+ 121 - QG1 VAL 83 12.500% * 0.5761% (0.77 1.0 1.00 0.10 0.02) = 0.576% QD LYS+ 65 - QG1 VAL 83 12.500% * 0.1070% (0.75 1.0 1.00 0.02 0.02) = 0.107% QD LYS+ 38 - QG1 VAL 83 12.500% * 0.0787% (0.55 1.0 1.00 0.02 0.02) = 0.079% HD2 LYS+ 74 - QG1 VAL 83 12.500% * 0.0787% (0.55 1.0 1.00 0.02 0.02) = 0.079% QB ALA 57 - QG1 VAL 83 12.500% * 0.0365% (0.26 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 111 - QG1 VAL 83 12.500% * 0.0322% (0.23 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - QG1 VAL 83 12.500% * 0.0283% (0.20 1.0 1.00 0.02 0.02) = 0.028% Peak 993 (0.60, 0.60, 22.78 ppm): 1 diagonal assignment: * QG1 VAL 83 - QG1 VAL 83 (0.66) kept Peak 994 (0.08, 0.60, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.809, support = 4.13, residual support = 71.3: * O T QG2 VAL 83 - QG1 VAL 83 33.333% * 95.3770% (0.81 10.0 10.00 4.28 74.65) = 95.377% kept QD1 ILE 89 - QG1 VAL 83 33.333% * 4.5629% (0.70 1.0 1.00 1.12 1.65) = 4.563% kept QD2 LEU 31 - QG1 VAL 83 33.333% * 0.0602% (0.51 1.0 1.00 0.02 0.02) = 0.060% Peak 995 (3.81, 0.08, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.16, residual support = 74.5: * O T HA VAL 83 - QG2 VAL 83 25.000% * 99.7706% (1.00 10.0 10.00 4.17 74.65) = 99.771% kept HA GLU- 100 - QG2 VAL 83 25.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - QG2 VAL 83 25.000% * 0.0985% (0.99 1.0 1.00 0.02 0.02) = 0.099% HB2 CYS 53 - QG2 VAL 83 25.000% * 0.0314% (0.31 1.0 1.00 0.02 1.63) = 0.031% Peak 996 (1.66, 0.08, 20.84 ppm): 8 chemical-shift based assignments, quality = 0.853, support = 4.31, residual support = 73.6: * O T HB VAL 83 - QG2 VAL 83 12.500% * 98.6081% (0.85 10.0 10.00 4.37 74.65) = 98.608% kept HB2 LYS+ 121 - QG2 VAL 83 12.500% * 1.0322% (0.95 1.0 1.00 0.19 0.02) = 1.032% kept QD LYS+ 65 - QG2 VAL 83 12.500% * 0.1065% (0.92 1.0 1.00 0.02 0.02) = 0.106% QD LYS+ 38 - QG2 VAL 83 12.500% * 0.0783% (0.68 1.0 1.00 0.02 0.02) = 0.078% HD2 LYS+ 74 - QG2 VAL 83 12.500% * 0.0783% (0.68 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - QG2 VAL 83 12.500% * 0.0363% (0.31 1.0 1.00 0.02 0.02) = 0.036% HD3 LYS+ 111 - QG2 VAL 83 12.500% * 0.0321% (0.28 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - QG2 VAL 83 12.500% * 0.0281% (0.24 1.0 1.00 0.02 0.02) = 0.028% Peak 997 (0.60, 0.08, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.81, support = 4.11, residual support = 71.4: * O T QG1 VAL 83 - QG2 VAL 83 16.667% * 95.5853% (0.81 10.0 10.00 4.28 74.65) = 95.585% kept QD1 LEU 104 - QG2 VAL 83 16.667% * 1.9848% (0.95 1.0 1.00 0.36 0.02) = 1.985% kept QD2 LEU 80 - QG2 VAL 83 16.667% * 1.2858% (0.73 1.0 1.00 0.30 0.02) = 1.286% kept QD1 LEU 73 - QG2 VAL 83 16.667% * 1.0318% (0.28 1.0 1.00 0.63 0.02) = 1.032% kept QD2 LEU 115 - QG2 VAL 83 16.667% * 0.0796% (0.68 1.0 1.00 0.02 0.02) = 0.080% QD1 LEU 63 - QG2 VAL 83 16.667% * 0.0326% (0.28 1.0 1.00 0.02 0.02) = 0.033% Peak 998 (0.08, 0.08, 20.84 ppm): 1 diagonal assignment: * QG2 VAL 83 - QG2 VAL 83 (1.00) kept Peak 999 (3.68, 3.68, 55.33 ppm): 1 diagonal assignment: * HA ALA 84 - HA ALA 84 (0.90) kept Peak 1000 (1.35, 3.68, 55.33 ppm): 13 chemical-shift based assignments, quality = 0.896, support = 2.34, residual support = 13.2: * O T QB ALA 84 - HA ALA 84 7.692% * 99.2967% (0.90 10.0 10.00 2.35 13.24) = 99.297% kept HG LEU 98 - HA ALA 84 7.692% * 0.1042% (0.95 1.0 1.00 0.02 0.02) = 0.104% QB ALA 124 - HA ALA 84 7.692% * 0.1032% (0.94 1.0 1.00 0.02 0.02) = 0.103% HB3 PRO 93 - HA ALA 84 7.692% * 0.0965% (0.88 1.0 1.00 0.02 0.02) = 0.096% HB3 ASP- 44 - HA ALA 84 7.692% * 0.0931% (0.85 1.0 1.00 0.02 0.02) = 0.093% HB2 LEU 63 - HA ALA 84 7.692% * 0.0806% (0.73 1.0 1.00 0.02 0.11) = 0.081% HB3 LEU 80 - HA ALA 84 7.692% * 0.0659% (0.60 1.0 1.00 0.02 0.02) = 0.066% HB2 LEU 31 - HA ALA 84 7.692% * 0.0461% (0.42 1.0 1.00 0.02 0.02) = 0.046% HG2 LYS+ 111 - HA ALA 84 7.692% * 0.0371% (0.34 1.0 1.00 0.02 0.02) = 0.037% HG3 LYS+ 106 - HA ALA 84 7.692% * 0.0291% (0.26 1.0 1.00 0.02 0.02) = 0.029% HB2 LYS+ 112 - HA ALA 84 7.692% * 0.0192% (0.17 1.0 1.00 0.02 0.02) = 0.019% HG2 LYS+ 99 - HA ALA 84 7.692% * 0.0141% (0.13 1.0 1.00 0.02 0.02) = 0.014% HG3 LYS+ 102 - HA ALA 84 7.692% * 0.0141% (0.13 1.0 1.00 0.02 0.02) = 0.014% Peak 1001 (3.68, 1.35, 18.25 ppm): 5 chemical-shift based assignments, quality = 0.902, support = 2.29, residual support = 12.7: * O T HA ALA 84 - QB ALA 84 20.000% * 95.9483% (0.90 10.0 10.00 2.35 13.24) = 95.948% kept HB2 TRP 49 - QB ALA 84 20.000% * 3.7750% (0.95 1.0 1.00 0.75 0.02) = 3.775% kept HA THR 118 - QB ALA 84 20.000% * 0.1007% (0.95 1.0 1.00 0.02 0.02) = 0.101% HA ILE 119 - QB ALA 84 20.000% * 0.0981% (0.92 1.0 1.00 0.02 0.02) = 0.098% HA2 GLY 109 - QB ALA 84 20.000% * 0.0779% (0.73 1.0 1.00 0.02 0.02) = 0.078% Peak 1002 (1.35, 1.35, 18.25 ppm): 1 diagonal assignment: * QB ALA 84 - QB ALA 84 (0.90) kept Peak 1003 (4.28, 4.28, 61.37 ppm): 1 diagonal assignment: * HA SER 85 - HA SER 85 (1.00) kept Peak 1004 (3.96, 4.28, 61.37 ppm): 11 chemical-shift based assignments, quality = 0.963, support = 1.84, residual support = 14.0: * O T QB SER 85 - HA SER 85 9.091% * 94.7564% (1.00 10.0 10.00 1.93 14.81) = 94.756% kept T HD2 PRO 52 - HA SER 85 9.091% * 4.2272% (0.35 1.0 10.00 0.25 0.02) = 4.227% kept T QB SER 48 - HA SER 85 9.091% * 0.4612% (0.49 1.0 10.00 0.02 0.02) = 0.461% T HA2 GLY 51 - HA SER 85 9.091% * 0.2014% (0.21 1.0 10.00 0.02 0.02) = 0.201% HA2 GLY 16 - HA SER 85 9.091% * 0.0948% (1.00 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 65 - HA SER 85 9.091% * 0.0936% (0.99 1.0 1.00 0.02 0.02) = 0.094% HA ALA 120 - HA SER 85 9.091% * 0.0731% (0.77 1.0 1.00 0.02 0.02) = 0.073% HB THR 94 - HA SER 85 9.091% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA LYS+ 121 - HA SER 85 9.091% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA GLN 32 - HA SER 85 9.091% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA ALA 88 - HA SER 85 9.091% * 0.0150% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1005 (4.28, 3.96, 63.04 ppm): 22 chemical-shift based assignments, quality = 0.949, support = 1.9, residual support = 14.1: * O T HA SER 85 - QB SER 85 4.545% * 92.9835% (1.00 10.0 10.00 1.93 14.81) = 92.983% kept HA ASP- 86 - QB SER 85 4.545% * 3.3641% (0.24 1.0 1.00 2.97 9.64) = 3.364% kept HA ASP- 44 - QB SER 85 4.545% * 1.0971% (0.99 1.0 1.00 0.24 0.02) = 1.097% kept T HA ILE 103 - QB SER 85 4.545% * 0.9034% (0.97 1.0 10.00 0.02 0.02) = 0.903% T HA THR 39 - QB SER 85 4.545% * 0.4526% (0.49 1.0 10.00 0.02 0.02) = 0.453% T HA1 GLY 51 - QB SER 85 4.545% * 0.3297% (0.35 1.0 10.00 0.02 0.02) = 0.330% T HA SER 85 - QB SER 48 4.545% * 0.1820% (0.20 1.0 10.00 0.02 0.02) = 0.182% T HA ILE 103 - QB SER 48 4.545% * 0.1768% (0.19 1.0 10.00 0.02 0.02) = 0.177% HB THR 77 - QB SER 85 4.545% * 0.0930% (1.00 1.0 1.00 0.02 0.02) = 0.093% HA MET 11 - QB SER 85 4.545% * 0.0903% (0.97 1.0 1.00 0.02 0.02) = 0.090% T HA THR 39 - QB SER 48 4.545% * 0.0886% (0.10 1.0 10.00 0.02 0.02) = 0.089% T HA1 GLY 51 - QB SER 48 4.545% * 0.0645% (0.07 1.0 10.00 0.02 0.02) = 0.065% HA GLU- 79 - QB SER 85 4.545% * 0.0541% (0.58 1.0 1.00 0.02 0.02) = 0.054% HA ALA 12 - QB SER 85 4.545% * 0.0259% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB THR 77 - QB SER 48 4.545% * 0.0182% (0.20 1.0 1.00 0.02 0.02) = 0.018% HA ASP- 44 - QB SER 48 4.545% * 0.0180% (0.19 1.0 1.00 0.02 0.02) = 0.018% HA MET 11 - QB SER 48 4.545% * 0.0177% (0.19 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 14 - QB SER 85 4.545% * 0.0171% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 79 - QB SER 48 4.545% * 0.0106% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA ALA 12 - QB SER 48 4.545% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA ASP- 86 - QB SER 48 4.545% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 14 - QB SER 48 4.545% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1006 (3.96, 3.96, 63.04 ppm): 2 diagonal assignments: * QB SER 85 - QB SER 85 (1.00) kept QB SER 48 - QB SER 48 (0.10) kept Peak 1007 (4.30, 4.30, 57.50 ppm): 1 diagonal assignment: * HA ASP- 86 - HA ASP- 86 (1.00) kept Peak 1008 (2.94, 4.30, 57.50 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 3.3, residual support = 36.2: * O T HB2 ASP- 86 - HA ASP- 86 20.000% * 98.5503% (1.00 10.0 10.00 3.34 36.70) = 98.550% kept HB2 ASN 28 - HA ASP- 86 20.000% * 1.2284% (0.73 1.0 1.00 0.34 0.02) = 1.228% kept QE LYS+ 65 - HA ASP- 86 20.000% * 0.0878% (0.89 1.0 1.00 0.02 0.02) = 0.088% HB2 ASN 35 - HA ASP- 86 20.000% * 0.0760% (0.77 1.0 1.00 0.02 0.02) = 0.076% QE LYS+ 33 - HA ASP- 86 20.000% * 0.0574% (0.58 1.0 1.00 0.02 0.02) = 0.057% Peak 1009 (2.44, 4.30, 57.50 ppm): 6 chemical-shift based assignments, quality = 0.935, support = 1.75, residual support = 29.5: * O T HB3 ASP- 86 - HA ASP- 86 16.667% * 80.0914% (1.00 10.0 10.00 2.00 36.70) = 80.091% kept T HB3 ASP- 62 - HA ASP- 86 16.667% * 19.7586% (0.68 1.0 10.00 0.73 0.48) = 19.759% kept HG2 GLU- 29 - HA ASP- 86 16.667% * 0.0761% (0.95 1.0 1.00 0.02 0.18) = 0.076% QE LYS+ 112 - HA ASP- 86 16.667% * 0.0284% (0.35 1.0 1.00 0.02 0.02) = 0.028% HB3 PHE 45 - HA ASP- 86 16.667% * 0.0284% (0.35 1.0 1.00 0.02 0.02) = 0.028% HG3 MET 96 - HA ASP- 86 16.667% * 0.0170% (0.21 1.0 1.00 0.02 0.02) = 0.017% Peak 1010 (4.30, 2.94, 40.49 ppm): 9 chemical-shift based assignments, quality = 0.973, support = 3.31, residual support = 35.7: * O T HA ASP- 86 - HB2 ASP- 86 11.111% * 96.4827% (1.00 10.0 10.00 3.34 36.70) = 96.483% kept HA SER 85 - HB2 ASP- 86 11.111% * 3.1616% (0.24 1.0 1.00 2.69 9.64) = 3.162% kept HA ALA 12 - HB2 ASP- 86 11.111% * 0.0962% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 14 - HB2 ASP- 86 11.111% * 0.0953% (0.99 1.0 1.00 0.02 0.02) = 0.095% HA LEU 104 - HB2 ASP- 86 11.111% * 0.0609% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA MET 11 - HB2 ASP- 86 11.111% * 0.0342% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA ASP- 44 - HB2 ASP- 86 11.111% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB THR 77 - HB2 ASP- 86 11.111% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA ILE 103 - HB2 ASP- 86 11.111% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1011 (2.94, 2.94, 40.49 ppm): 1 diagonal assignment: * HB2 ASP- 86 - HB2 ASP- 86 (1.00) kept Peak 1012 (2.44, 2.94, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 2.68, residual support = 35.1: * O T HB3 ASP- 86 - HB2 ASP- 86 16.667% * 95.5843% (1.00 10.0 10.00 2.78 36.70) = 95.584% kept HB3 ASP- 62 - HB2 ASP- 86 16.667% * 2.6559% (0.68 1.0 1.00 0.82 0.48) = 2.656% kept HG2 GLU- 29 - HB2 ASP- 86 16.667% * 1.6717% (0.95 1.0 1.00 0.37 0.18) = 1.672% kept QE LYS+ 112 - HB2 ASP- 86 16.667% * 0.0339% (0.35 1.0 1.00 0.02 0.02) = 0.034% HB3 PHE 45 - HB2 ASP- 86 16.667% * 0.0339% (0.35 1.0 1.00 0.02 0.02) = 0.034% HG3 MET 96 - HB2 ASP- 86 16.667% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 1013 (4.30, 2.44, 40.49 ppm): 9 chemical-shift based assignments, quality = 0.973, support = 2.01, residual support = 35.7: * O T HA ASP- 86 - HB3 ASP- 86 11.111% * 96.5018% (1.00 10.0 10.00 2.00 36.70) = 96.502% kept HA SER 85 - HB3 ASP- 86 11.111% * 3.1424% (0.24 1.0 1.00 2.67 9.64) = 3.142% kept HA ALA 12 - HB3 ASP- 86 11.111% * 0.0962% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 14 - HB3 ASP- 86 11.111% * 0.0953% (0.99 1.0 1.00 0.02 0.02) = 0.095% HA LEU 104 - HB3 ASP- 86 11.111% * 0.0609% (0.63 1.0 1.00 0.02 0.02) = 0.061% HA MET 11 - HB3 ASP- 86 11.111% * 0.0342% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA ASP- 44 - HB3 ASP- 86 11.111% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB THR 77 - HB3 ASP- 86 11.111% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA ILE 103 - HB3 ASP- 86 11.111% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1014 (2.94, 2.44, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 2.77, residual support = 36.6: * O T HB2 ASP- 86 - HB3 ASP- 86 20.000% * 99.7038% (1.00 10.0 10.00 2.78 36.70) = 99.704% kept QE LYS+ 65 - HB3 ASP- 86 20.000% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB2 ASN 35 - HB3 ASP- 86 20.000% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB2 ASN 28 - HB3 ASP- 86 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% QE LYS+ 33 - HB3 ASP- 86 20.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% Peak 1015 (2.44, 2.44, 40.49 ppm): 1 diagonal assignment: * HB3 ASP- 86 - HB3 ASP- 86 (1.00) kept Peak 1016 (4.34, 4.34, 57.63 ppm): 1 diagonal assignment: * HA TRP 87 - HA TRP 87 (1.00) kept Peak 1017 (3.41, 4.34, 57.63 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.05, residual support = 60.7: * O T HB2 TRP 87 - HA TRP 87 50.000% * 95.3556% (1.00 10.0 10.00 4.20 63.60) = 95.356% kept HB2 PHE 60 - HA TRP 87 50.000% * 4.6444% (0.99 1.0 1.00 0.99 0.44) = 4.644% kept Peak 1018 (2.50, 4.34, 57.63 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 63.5: * O T HB3 TRP 87 - HA TRP 87 33.333% * 99.8699% (1.00 10.0 10.00 4.00 63.60) = 99.870% kept HG3 GLN 116 - HA TRP 87 33.333% * 0.0986% (0.99 1.0 1.00 0.02 0.02) = 0.099% HG2 GLU- 25 - HA TRP 87 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 1019 (4.34, 3.41, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 4.16, residual support = 63.0: * O T HA TRP 87 - HB2 TRP 87 33.333% * 99.0437% (1.00 10.0 10.00 4.20 63.60) = 99.044% kept HA PHE 59 - HB2 TRP 87 33.333% * 0.9287% (0.53 1.0 1.00 0.35 0.11) = 0.929% HA LEU 104 - HB2 TRP 87 33.333% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1020 (3.41, 3.41, 28.05 ppm): 1 diagonal assignment: * HB2 TRP 87 - HB2 TRP 87 (1.00) kept Peak 1021 (2.50, 3.41, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 63.5: * O T HB3 TRP 87 - HB2 TRP 87 33.333% * 99.8699% (1.00 10.0 10.00 3.97 63.60) = 99.870% kept HG3 GLN 116 - HB2 TRP 87 33.333% * 0.0986% (0.99 1.0 1.00 0.02 0.02) = 0.099% HG2 GLU- 25 - HB2 TRP 87 33.333% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 1022 (4.34, 2.50, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.96, support = 3.69, residual support = 58.1: * O T HA TRP 87 - HB3 TRP 87 33.333% * 91.4038% (1.00 10.0 10.00 4.00 63.60) = 91.404% kept T HA PHE 59 - HB3 TRP 87 33.333% * 8.5708% (0.53 1.0 10.00 0.35 0.11) = 8.571% kept HA LEU 104 - HB3 TRP 87 33.333% * 0.0254% (0.28 1.0 1.00 0.02 0.02) = 0.025% Peak 1023 (3.41, 2.50, 28.05 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 62.5: * O T HB2 TRP 87 - HB3 TRP 87 50.000% * 98.1920% (1.00 10.0 10.00 3.97 63.60) = 98.192% kept HB2 PHE 60 - HB3 TRP 87 50.000% * 1.8080% (0.99 1.0 1.00 0.37 0.44) = 1.808% kept Peak 1024 (2.50, 2.50, 28.05 ppm): 1 diagonal assignment: * HB3 TRP 87 - HB3 TRP 87 (1.00) kept Peak 1025 (3.98, 3.98, 52.68 ppm): 1 diagonal assignment: * HA ALA 88 - HA ALA 88 (1.00) kept Peak 1026 (1.31, 3.98, 52.68 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 1.82, residual support = 10.1: * O T QB ALA 88 - HA ALA 88 14.286% * 99.7185% (1.00 10.0 10.00 1.83 10.08) = 99.719% kept HG2 LYS+ 38 - HA ALA 88 14.286% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% QG2 THR 77 - HA ALA 88 14.286% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG2 LYS+ 99 - HA ALA 88 14.286% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG2 LYS+ 111 - HA ALA 88 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 31 - HA ALA 88 14.286% * 0.0243% (0.24 1.0 1.00 0.02 0.19) = 0.024% HB3 LEU 80 - HA ALA 88 14.286% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1027 (3.98, 1.31, 16.77 ppm): 11 chemical-shift based assignments, quality = 0.992, support = 1.81, residual support = 9.99: * O T HA ALA 88 - QB ALA 88 9.091% * 99.1503% (1.00 10.0 10.00 1.83 10.08) = 99.150% kept T HB2 SER 82 - QB ALA 88 9.091% * 0.4370% (0.44 1.0 10.00 0.02 0.02) = 0.437% HA GLN 32 - QB ALA 88 9.091% * 0.0988% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA SER 48 - QB ALA 88 9.091% * 0.0884% (0.89 1.0 1.00 0.02 0.02) = 0.088% HD2 PRO 52 - QB ALA 88 9.091% * 0.0884% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA VAL 18 - QB ALA 88 9.091% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA GLU- 29 - QB ALA 88 9.091% * 0.0312% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA LYS+ 65 - QB ALA 88 9.091% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA LYS+ 33 - QB ALA 88 9.091% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA2 GLY 16 - QB ALA 88 9.091% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB SER 85 - QB ALA 88 9.091% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1028 (1.31, 1.31, 16.77 ppm): 1 diagonal assignment: * QB ALA 88 - QB ALA 88 (1.00) kept Peak 1029 (3.87, 3.87, 59.74 ppm): 1 diagonal assignment: * HA ILE 89 - HA ILE 89 (1.00) kept Peak 1030 (1.74, 3.87, 59.74 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 5.42, residual support = 187.6: * O T HB ILE 89 - HA ILE 89 33.333% * 99.9446% (0.73 10.0 10.00 5.42 187.71) = 99.945% kept HB3 LYS+ 99 - HA ILE 89 33.333% * 0.0336% (0.24 1.0 1.00 0.02 0.02) = 0.034% QG1 ILE 56 - HA ILE 89 33.333% * 0.0218% (0.16 1.0 1.00 0.02 0.02) = 0.022% Peak 1031 (0.63, 3.87, 59.74 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 6.05, residual support = 186.5: * O T QG2 ILE 89 - HA ILE 89 50.000% * 99.3515% (1.00 10.0 10.00 6.09 187.71) = 99.352% kept QG1 VAL 83 - HA ILE 89 50.000% * 0.6485% (0.40 1.0 1.00 0.33 1.65) = 0.648% Peak 1032 (1.22, 3.87, 59.74 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 5.39, residual support = 186.8: * O T HG12 ILE 89 - HA ILE 89 14.286% * 99.5158% (1.00 10.0 10.00 5.42 187.71) = 99.516% kept T HG3 LYS+ 99 - HA ILE 89 14.286% * 0.2767% (0.28 1.0 10.00 0.02 0.02) = 0.277% HG3 LYS+ 111 - HA ILE 89 14.286% * 0.0983% (0.99 1.0 1.00 0.02 0.61) = 0.098% HG LEU 71 - HA ILE 89 14.286% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 LYS+ 74 - HA ILE 89 14.286% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 71 - HA ILE 89 14.286% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 112 - HA ILE 89 14.286% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1033 (3.87, 1.74, 34.76 ppm): 6 chemical-shift based assignments, quality = 0.718, support = 5.28, residual support = 182.1: * O T HA ILE 89 - HB ILE 89 16.667% * 97.0228% (0.73 10.0 10.00 5.42 187.71) = 97.023% kept HB THR 118 - HB ILE 89 16.667% * 2.6420% (0.53 1.0 1.00 0.75 0.47) = 2.642% kept HB3 SER 37 - HB ILE 89 16.667% * 0.0970% (0.73 1.0 1.00 0.02 0.02) = 0.097% HB THR 39 - HB ILE 89 16.667% * 0.0922% (0.69 1.0 1.00 0.02 0.02) = 0.092% QB SER 13 - HB ILE 89 16.667% * 0.0896% (0.67 1.0 1.00 0.02 0.02) = 0.090% HB3 SER 82 - HB ILE 89 16.667% * 0.0565% (0.42 1.0 1.00 0.02 0.02) = 0.056% Peak 1034 (1.74, 1.74, 34.76 ppm): 1 diagonal assignment: * HB ILE 89 - HB ILE 89 (0.53) kept Peak 1035 (0.63, 1.74, 34.76 ppm): 2 chemical-shift based assignments, quality = 0.723, support = 5.51, residual support = 186.9: * O T QG2 ILE 89 - HB ILE 89 50.000% * 99.5441% (0.73 10.0 10.00 5.54 187.71) = 99.544% kept QG1 VAL 83 - HB ILE 89 50.000% * 0.4559% (0.29 1.0 1.00 0.23 1.65) = 0.456% Peak 1036 (1.22, 1.74, 34.76 ppm): 7 chemical-shift based assignments, quality = 0.723, support = 4.98, residual support = 186.8: * O T HG12 ILE 89 - HB ILE 89 14.286% * 99.5158% (0.73 10.0 10.00 5.00 187.71) = 99.516% kept T HG3 LYS+ 99 - HB ILE 89 14.286% * 0.2767% (0.20 1.0 10.00 0.02 0.02) = 0.277% HG3 LYS+ 111 - HB ILE 89 14.286% * 0.0983% (0.72 1.0 1.00 0.02 0.61) = 0.098% HG LEU 71 - HB ILE 89 14.286% * 0.0353% (0.26 1.0 1.00 0.02 0.02) = 0.035% HG2 LYS+ 74 - HB ILE 89 14.286% * 0.0313% (0.23 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 71 - HB ILE 89 14.286% * 0.0243% (0.18 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 112 - HB ILE 89 14.286% * 0.0183% (0.13 1.0 1.00 0.02 0.02) = 0.018% Peak 1037 (3.87, 0.63, 17.89 ppm): 6 chemical-shift based assignments, quality = 0.985, support = 5.79, residual support = 177.4: * O T HA ILE 89 - QG2 ILE 89 16.667% * 94.5139% (1.00 10.0 10.00 6.09 187.71) = 94.514% kept HB THR 118 - QG2 ILE 89 16.667% * 2.5737% (0.73 1.0 1.00 0.75 0.47) = 2.574% kept HB3 SER 82 - QG2 ILE 89 16.667% * 1.4919% (0.58 1.0 1.00 0.54 0.02) = 1.492% kept HB3 SER 37 - QG2 ILE 89 16.667% * 1.2435% (1.00 1.0 1.00 0.26 0.02) = 1.243% kept HB THR 39 - QG2 ILE 89 16.667% * 0.0898% (0.95 1.0 1.00 0.02 0.02) = 0.090% QB SER 13 - QG2 ILE 89 16.667% * 0.0872% (0.92 1.0 1.00 0.02 0.02) = 0.087% Peak 1038 (1.74, 0.63, 17.89 ppm): 3 chemical-shift based assignments, quality = 0.724, support = 5.52, residual support = 187.0: * O T HB ILE 89 - QG2 ILE 89 33.333% * 99.6437% (0.73 10.0 10.00 5.54 187.71) = 99.644% kept T HB3 LYS+ 99 - QG2 ILE 89 33.333% * 0.3346% (0.24 1.0 10.00 0.02 0.02) = 0.335% QG1 ILE 56 - QG2 ILE 89 33.333% * 0.0217% (0.16 1.0 1.00 0.02 0.02) = 0.022% Peak 1039 (0.63, 0.63, 17.89 ppm): 1 diagonal assignment: * QG2 ILE 89 - QG2 ILE 89 (1.00) kept Peak 1040 (1.22, 0.63, 17.89 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.3, residual support = 178.1: * O T HG12 ILE 89 - QG2 ILE 89 14.286% * 94.8777% (1.00 10.0 10.00 5.54 187.71) = 94.878% kept HG3 LYS+ 111 - QG2 ILE 89 14.286% * 4.7544% (0.99 1.0 1.00 1.02 0.61) = 4.754% kept T HG3 LYS+ 99 - QG2 ILE 89 14.286% * 0.2638% (0.28 1.0 10.00 0.02 0.02) = 0.264% HG LEU 71 - QG2 ILE 89 14.286% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% HG2 LYS+ 74 - QG2 ILE 89 14.286% * 0.0299% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 71 - QG2 ILE 89 14.286% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HD2 LYS+ 112 - QG2 ILE 89 14.286% * 0.0175% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 1041 (3.87, 1.22, 26.04 ppm): 12 chemical-shift based assignments, quality = 0.978, support = 5.18, residual support = 177.4: * O T HA ILE 89 - HG12 ILE 89 8.333% * 94.5035% (1.00 10.0 10.00 5.42 187.71) = 94.503% kept HB THR 118 - HG12 ILE 89 8.333% * 4.5807% (0.73 1.0 1.00 1.34 0.47) = 4.581% kept T HA ILE 89 - HG3 LYS+ 99 8.333% * 0.2592% (0.27 1.0 10.00 0.02 0.02) = 0.259% T HB THR 39 - HG3 LYS+ 99 8.333% * 0.2463% (0.26 1.0 10.00 0.02 0.02) = 0.246% HB3 SER 37 - HG12 ILE 89 8.333% * 0.0945% (1.00 1.0 1.00 0.02 0.02) = 0.095% HB THR 39 - HG12 ILE 89 8.333% * 0.0898% (0.95 1.0 1.00 0.02 0.02) = 0.090% QB SER 13 - HG12 ILE 89 8.333% * 0.0872% (0.92 1.0 1.00 0.02 0.02) = 0.087% HB3 SER 82 - HG12 ILE 89 8.333% * 0.0550% (0.58 1.0 1.00 0.02 0.02) = 0.055% HB3 SER 37 - HG3 LYS+ 99 8.333% * 0.0259% (0.27 1.0 1.00 0.02 0.02) = 0.026% QB SER 13 - HG3 LYS+ 99 8.333% * 0.0239% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB THR 118 - HG3 LYS+ 99 8.333% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB3 SER 82 - HG3 LYS+ 99 8.333% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1042 (1.74, 1.22, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.668, support = 4.95, residual support = 183.4: * O T HB ILE 89 - HG12 ILE 89 16.667% * 91.2856% (0.73 10.0 10.00 5.00 187.71) = 91.286% kept O HB3 LYS+ 99 - HG3 LYS+ 99 16.667% * 8.4080% (0.07 10.0 1.00 4.56 143.60) = 8.408% kept T HB ILE 89 - HG3 LYS+ 99 16.667% * 0.2504% (0.20 1.0 10.00 0.02 0.02) = 0.250% HB3 LYS+ 99 - HG12 ILE 89 16.667% * 0.0307% (0.24 1.0 1.00 0.02 0.02) = 0.031% QG1 ILE 56 - HG12 ILE 89 16.667% * 0.0199% (0.16 1.0 1.00 0.02 0.02) = 0.020% QG1 ILE 56 - HG3 LYS+ 99 16.667% * 0.0055% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 1043 (0.63, 1.22, 26.04 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 5.52, residual support = 187.1: * O T QG2 ILE 89 - HG12 ILE 89 25.000% * 99.6762% (1.00 10.0 10.00 5.54 187.71) = 99.676% kept T QG2 ILE 89 - HG3 LYS+ 99 25.000% * 0.2734% (0.27 1.0 10.00 0.02 0.02) = 0.273% QG1 VAL 83 - HG12 ILE 89 25.000% * 0.0395% (0.40 1.0 1.00 0.02 1.65) = 0.040% QG1 VAL 83 - HG3 LYS+ 99 25.000% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1044 (1.22, 1.22, 26.04 ppm): 2 diagonal assignments: * HG12 ILE 89 - HG12 ILE 89 (1.00) kept HG3 LYS+ 99 - HG3 LYS+ 99 (0.08) kept Peak 1045 (4.46, 4.46, 56.09 ppm): 1 diagonal assignment: * HA GLN 90 - HA GLN 90 (0.94) kept Peak 1046 (2.15, 4.46, 56.09 ppm): 5 chemical-shift based assignments, quality = 0.708, support = 3.63, residual support = 72.2: * O T HB2 GLN 90 - HA GLN 90 20.000% * 95.7116% (0.71 10.0 10.00 3.78 75.42) = 95.712% kept HB3 GLU- 29 - HA GLN 90 20.000% * 1.9089% (0.90 1.0 1.00 0.31 0.02) = 1.909% kept T HB3 GLU- 79 - HA GLN 90 20.000% * 1.2167% (0.90 1.0 10.00 0.02 0.02) = 1.217% kept HG3 GLU- 29 - HA GLN 90 20.000% * 1.0347% (0.47 1.0 1.00 0.32 0.02) = 1.035% kept QB GLU- 36 - HA GLN 90 20.000% * 0.1281% (0.94 1.0 1.00 0.02 0.02) = 0.128% Peak 1047 (1.87, 4.46, 56.09 ppm): 13 chemical-shift based assignments, quality = 0.747, support = 3.52, residual support = 68.0: * O T HB3 GLN 90 - HA GLN 90 7.692% * 90.1119% (0.75 10.0 10.00 3.82 75.42) = 90.112% kept HB ILE 56 - HA GLN 90 7.692% * 5.8392% (0.90 1.0 1.00 1.08 0.93) = 5.839% kept HB3 GLN 30 - HA GLN 90 7.692% * 1.8390% (0.52 1.0 1.00 0.59 0.02) = 1.839% kept QB LYS+ 33 - HA GLN 90 7.692% * 1.4553% (0.66 1.0 1.00 0.37 0.02) = 1.455% kept HG2 ARG+ 54 - HA GLN 90 7.692% * 0.2375% (0.47 1.0 1.00 0.08 0.02) = 0.238% QB LYS+ 106 - HA GLN 90 7.692% * 0.1041% (0.87 1.0 1.00 0.02 0.02) = 0.104% QB LYS+ 81 - HA GLN 90 7.692% * 0.0998% (0.83 1.0 1.00 0.02 0.02) = 0.100% HB3 LYS+ 38 - HA GLN 90 7.692% * 0.0901% (0.75 1.0 1.00 0.02 0.02) = 0.090% HB3 ASP- 105 - HA GLN 90 7.692% * 0.0624% (0.52 1.0 1.00 0.02 0.02) = 0.062% HB ILE 103 - HA GLN 90 7.692% * 0.0515% (0.43 1.0 1.00 0.02 0.86) = 0.051% HG3 PRO 68 - HA GLN 90 7.692% * 0.0463% (0.39 1.0 1.00 0.02 0.02) = 0.046% HB2 MET 92 - HA GLN 90 7.692% * 0.0414% (0.34 1.0 1.00 0.02 0.17) = 0.041% HB3 PRO 58 - HA GLN 90 7.692% * 0.0215% (0.18 1.0 1.00 0.02 0.02) = 0.021% Peak 1048 (2.27, 4.46, 56.09 ppm): 7 chemical-shift based assignments, quality = 0.818, support = 2.95, residual support = 74.3: * O T QG GLN 90 - HA GLN 90 14.286% * 98.4968% (0.83 10.0 10.00 3.00 75.42) = 98.497% kept HB2 ASP- 44 - HA GLN 90 14.286% * 0.8060% (0.96 1.0 1.00 0.14 0.02) = 0.806% HG12 ILE 119 - HA GLN 90 14.286% * 0.2969% (0.43 1.0 1.00 0.12 0.02) = 0.297% QG GLU- 15 - HA GLN 90 14.286% * 0.1148% (0.97 1.0 1.00 0.02 0.02) = 0.115% QG GLU- 14 - HA GLN 90 14.286% * 0.1119% (0.94 1.0 1.00 0.02 0.02) = 0.112% HB3 PHE 72 - HA GLN 90 14.286% * 0.1064% (0.90 1.0 1.00 0.02 0.02) = 0.106% QB MET 11 - HA GLN 90 14.286% * 0.0671% (0.57 1.0 1.00 0.02 0.02) = 0.067% Peak 1049 (4.46, 2.15, 31.73 ppm): 8 chemical-shift based assignments, quality = 0.697, support = 3.74, residual support = 74.5: * O T HA GLN 90 - HB2 GLN 90 12.500% * 98.8264% (0.71 10.0 10.00 3.78 75.42) = 98.826% kept T HA GLN 90 - HB3 GLU- 79 12.500% * 0.7696% (0.55 1.0 10.00 0.02 0.02) = 0.770% HA PHE 55 - HB2 GLN 90 12.500% * 0.1004% (0.72 1.0 1.00 0.02 0.02) = 0.100% HA ALA 110 - HB2 GLN 90 12.500% * 0.0906% (0.65 1.0 1.00 0.02 0.02) = 0.091% HA PHE 55 - HB3 GLU- 79 12.500% * 0.0782% (0.56 1.0 1.00 0.02 0.02) = 0.078% HA ALA 110 - HB3 GLU- 79 12.500% * 0.0706% (0.50 1.0 1.00 0.02 0.02) = 0.071% HA VAL 42 - HB2 GLN 90 12.500% * 0.0361% (0.26 1.0 1.00 0.02 0.02) = 0.036% HA VAL 42 - HB3 GLU- 79 12.500% * 0.0281% (0.20 1.0 1.00 0.02 0.02) = 0.028% Peak 1050 (2.15, 2.15, 31.73 ppm): 2 diagonal assignments: * HB2 GLN 90 - HB2 GLN 90 (0.53) kept HB3 GLU- 79 - HB3 GLU- 79 (0.52) kept Peak 1051 (1.87, 2.15, 31.73 ppm): 26 chemical-shift based assignments, quality = 0.533, support = 3.37, residual support = 66.6: * O T HB3 GLN 90 - HB2 GLN 90 3.846% * 88.2576% (0.56 10.0 10.00 3.67 75.42) = 88.258% kept QB LYS+ 33 - HB3 GLU- 79 3.846% * 5.5143% (0.38 1.0 1.00 1.82 0.32) = 5.514% kept QB LYS+ 33 - HB2 GLN 90 3.846% * 3.4502% (0.49 1.0 1.00 0.89 0.02) = 3.450% kept T HB3 LYS+ 38 - HB2 GLN 90 3.846% * 0.8826% (0.56 1.0 10.00 0.02 0.02) = 0.883% T HB3 GLN 90 - HB3 GLU- 79 3.846% * 0.6873% (0.44 1.0 10.00 0.02 0.02) = 0.687% HB ILE 56 - HB2 GLN 90 3.846% * 0.1056% (0.67 1.0 1.00 0.02 0.93) = 0.106% QB LYS+ 106 - HB2 GLN 90 3.846% * 0.1019% (0.65 1.0 1.00 0.02 0.02) = 0.102% QB LYS+ 81 - HB2 GLN 90 3.846% * 0.0978% (0.62 1.0 1.00 0.02 0.02) = 0.098% HB ILE 56 - HB3 GLU- 79 3.846% * 0.0822% (0.52 1.0 1.00 0.02 0.02) = 0.082% QB LYS+ 106 - HB3 GLU- 79 3.846% * 0.0794% (0.50 1.0 1.00 0.02 0.02) = 0.079% QB LYS+ 81 - HB3 GLU- 79 3.846% * 0.0761% (0.48 1.0 1.00 0.02 0.45) = 0.076% HB3 LYS+ 38 - HB3 GLU- 79 3.846% * 0.0687% (0.44 1.0 1.00 0.02 0.02) = 0.069% HB3 GLN 30 - HB2 GLN 90 3.846% * 0.0611% (0.39 1.0 1.00 0.02 0.02) = 0.061% HB3 ASP- 105 - HB2 GLN 90 3.846% * 0.0611% (0.39 1.0 1.00 0.02 0.02) = 0.061% HG2 ARG+ 54 - HB2 GLN 90 3.846% * 0.0557% (0.35 1.0 1.00 0.02 0.02) = 0.056% HB ILE 103 - HB2 GLN 90 3.846% * 0.0504% (0.32 1.0 1.00 0.02 0.86) = 0.050% HB3 ASP- 105 - HB3 GLU- 79 3.846% * 0.0476% (0.30 1.0 1.00 0.02 0.02) = 0.048% HB3 GLN 30 - HB3 GLU- 79 3.846% * 0.0476% (0.30 1.0 1.00 0.02 0.02) = 0.048% HG3 PRO 68 - HB2 GLN 90 3.846% * 0.0454% (0.29 1.0 1.00 0.02 0.02) = 0.045% HG2 ARG+ 54 - HB3 GLU- 79 3.846% * 0.0434% (0.28 1.0 1.00 0.02 0.02) = 0.043% HB2 MET 92 - HB2 GLN 90 3.846% * 0.0406% (0.26 1.0 1.00 0.02 0.17) = 0.041% HB ILE 103 - HB3 GLU- 79 3.846% * 0.0393% (0.25 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 68 - HB3 GLU- 79 3.846% * 0.0353% (0.22 1.0 1.00 0.02 0.02) = 0.035% HB2 MET 92 - HB3 GLU- 79 3.846% * 0.0316% (0.20 1.0 1.00 0.02 0.02) = 0.032% HB3 PRO 58 - HB2 GLN 90 3.846% * 0.0210% (0.13 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 58 - HB3 GLU- 79 3.846% * 0.0164% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 1052 (2.27, 2.15, 31.73 ppm): 14 chemical-shift based assignments, quality = 0.598, support = 3.13, residual support = 72.6: * O T QG GLN 90 - HB2 GLN 90 7.143% * 96.3003% (0.62 10.0 10.00 3.25 75.42) = 96.300% kept HB2 ASP- 44 - HB2 GLN 90 7.143% * 0.7881% (0.72 1.0 1.00 0.14 0.02) = 0.788% T QG GLN 90 - HB3 GLU- 79 7.143% * 0.7500% (0.48 1.0 10.00 0.02 0.02) = 0.750% T QB MET 11 - HB2 GLN 90 7.143% * 0.6559% (0.42 1.0 10.00 0.02 0.02) = 0.656% T QB MET 11 - HB3 GLU- 79 7.143% * 0.5108% (0.33 1.0 10.00 0.02 0.02) = 0.511% HG12 ILE 119 - HB2 GLN 90 7.143% * 0.2903% (0.32 1.0 1.00 0.12 0.02) = 0.290% QG GLU- 15 - HB2 GLN 90 7.143% * 0.1123% (0.72 1.0 1.00 0.02 0.02) = 0.112% QG GLU- 14 - HB2 GLN 90 7.143% * 0.1095% (0.71 1.0 1.00 0.02 0.02) = 0.109% HB3 PHE 72 - HB2 GLN 90 7.143% * 0.1040% (0.67 1.0 1.00 0.02 0.02) = 0.104% QG GLU- 15 - HB3 GLU- 79 7.143% * 0.0874% (0.56 1.0 1.00 0.02 0.02) = 0.087% HB2 ASP- 44 - HB3 GLU- 79 7.143% * 0.0866% (0.56 1.0 1.00 0.02 0.02) = 0.087% QG GLU- 14 - HB3 GLU- 79 7.143% * 0.0852% (0.55 1.0 1.00 0.02 0.02) = 0.085% HB3 PHE 72 - HB3 GLU- 79 7.143% * 0.0810% (0.52 1.0 1.00 0.02 0.02) = 0.081% HG12 ILE 119 - HB3 GLU- 79 7.143% * 0.0387% (0.25 1.0 1.00 0.02 0.02) = 0.039% Peak 1053 (4.46, 1.87, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.748, support = 3.81, residual support = 75.2: * O T HA GLN 90 - HB3 GLN 90 25.000% * 99.7707% (0.75 10.0 10.00 3.82 75.42) = 99.771% kept HA PHE 55 - HB3 GLN 90 25.000% * 0.1014% (0.76 1.0 1.00 0.02 0.02) = 0.101% HA ALA 110 - HB3 GLN 90 25.000% * 0.0915% (0.69 1.0 1.00 0.02 0.02) = 0.092% HA VAL 42 - HB3 GLN 90 25.000% * 0.0364% (0.27 1.0 1.00 0.02 0.02) = 0.036% Peak 1054 (2.15, 1.87, 31.73 ppm): 5 chemical-shift based assignments, quality = 0.56, support = 3.62, residual support = 74.2: * O T HB2 GLN 90 - HB3 GLN 90 20.000% * 98.4260% (0.56 10.0 10.00 3.67 75.42) = 98.426% kept T HB3 GLU- 79 - HB3 GLN 90 20.000% * 1.2512% (0.71 1.0 10.00 0.02 0.02) = 1.251% kept QB GLU- 36 - HB3 GLN 90 20.000% * 0.1317% (0.75 1.0 1.00 0.02 0.02) = 0.132% HB3 GLU- 29 - HB3 GLN 90 20.000% * 0.1251% (0.71 1.0 1.00 0.02 0.02) = 0.125% HG3 GLU- 29 - HB3 GLN 90 20.000% * 0.0660% (0.38 1.0 1.00 0.02 0.02) = 0.066% Peak 1055 (1.87, 1.87, 31.73 ppm): 1 diagonal assignment: * HB3 GLN 90 - HB3 GLN 90 (0.60) kept Peak 1056 (2.27, 1.87, 31.73 ppm): 7 chemical-shift based assignments, quality = 0.65, support = 3.21, residual support = 74.3: * O T QG GLN 90 - HB3 GLN 90 14.286% * 98.4968% (0.66 10.0 10.00 3.26 75.42) = 98.497% kept HB2 ASP- 44 - HB3 GLN 90 14.286% * 0.8060% (0.76 1.0 1.00 0.14 0.02) = 0.806% HG12 ILE 119 - HB3 GLN 90 14.286% * 0.2969% (0.34 1.0 1.00 0.12 0.02) = 0.297% QG GLU- 15 - HB3 GLN 90 14.286% * 0.1148% (0.77 1.0 1.00 0.02 0.02) = 0.115% QG GLU- 14 - HB3 GLN 90 14.286% * 0.1119% (0.75 1.0 1.00 0.02 0.02) = 0.112% HB3 PHE 72 - HB3 GLN 90 14.286% * 0.1064% (0.71 1.0 1.00 0.02 0.02) = 0.106% QB MET 11 - HB3 GLN 90 14.286% * 0.0671% (0.45 1.0 1.00 0.02 0.02) = 0.067% Peak 1057 (4.46, 2.27, 34.07 ppm): 4 chemical-shift based assignments, quality = 0.829, support = 2.99, residual support = 75.2: * O T HA GLN 90 - QG GLN 90 25.000% * 99.7707% (0.83 10.0 10.00 3.00 75.42) = 99.771% kept HA PHE 55 - QG GLN 90 25.000% * 0.1014% (0.84 1.0 1.00 0.02 0.02) = 0.101% HA ALA 110 - QG GLN 90 25.000% * 0.0915% (0.76 1.0 1.00 0.02 0.02) = 0.092% HA VAL 42 - QG GLN 90 25.000% * 0.0364% (0.30 1.0 1.00 0.02 0.02) = 0.036% Peak 1058 (2.15, 2.27, 34.07 ppm): 5 chemical-shift based assignments, quality = 0.617, support = 3.18, residual support = 73.8: * O T HB2 GLN 90 - QG GLN 90 20.000% * 97.8450% (0.62 10.0 10.00 3.25 75.42) = 97.845% kept T HB3 GLU- 79 - QG GLN 90 20.000% * 1.2439% (0.79 1.0 10.00 0.02 0.02) = 1.244% kept T HG3 GLU- 29 - QG GLN 90 20.000% * 0.6559% (0.42 1.0 10.00 0.02 0.02) = 0.656% QB GLU- 36 - QG GLN 90 20.000% * 0.1309% (0.83 1.0 1.00 0.02 0.02) = 0.131% HB3 GLU- 29 - QG GLN 90 20.000% * 0.1244% (0.79 1.0 1.00 0.02 0.02) = 0.124% Peak 1059 (1.87, 2.27, 34.07 ppm): 13 chemical-shift based assignments, quality = 0.611, support = 2.82, residual support = 63.3: * O T HB3 GLN 90 - QG GLN 90 7.692% * 83.8475% (0.66 10.0 10.00 3.26 75.42) = 83.847% kept T HB2 MET 92 - QG GLN 90 7.692% * 11.3746% (0.30 1.0 10.00 0.59 0.17) = 11.375% kept QB LYS+ 33 - QG GLN 90 7.692% * 1.7861% (0.58 1.0 1.00 0.48 0.02) = 1.786% kept HB3 LYS+ 38 - QG GLN 90 7.692% * 1.3588% (0.66 1.0 1.00 0.32 0.02) = 1.359% kept HB ILE 103 - QG GLN 90 7.692% * 1.1110% (0.38 1.0 1.00 0.46 0.86) = 1.111% kept HB ILE 56 - QG GLN 90 7.692% * 0.1003% (0.79 1.0 1.00 0.02 0.93) = 0.100% QB LYS+ 106 - QG GLN 90 7.692% * 0.0968% (0.76 1.0 1.00 0.02 0.02) = 0.097% QB LYS+ 81 - QG GLN 90 7.692% * 0.0929% (0.73 1.0 1.00 0.02 0.02) = 0.093% HB3 GLN 30 - QG GLN 90 7.692% * 0.0580% (0.46 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 105 - QG GLN 90 7.692% * 0.0580% (0.46 1.0 1.00 0.02 0.02) = 0.058% HG2 ARG+ 54 - QG GLN 90 7.692% * 0.0529% (0.42 1.0 1.00 0.02 0.02) = 0.053% HG3 PRO 68 - QG GLN 90 7.692% * 0.0431% (0.34 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 58 - QG GLN 90 7.692% * 0.0200% (0.16 1.0 1.00 0.02 0.02) = 0.020% Peak 1060 (2.27, 2.27, 34.07 ppm): 1 diagonal assignment: * QG GLN 90 - QG GLN 90 (0.73) kept Peak 1061 (4.49, 4.49, 51.73 ppm): 1 diagonal assignment: * HA ALA 91 - HA ALA 91 (1.00) kept Peak 1062 (1.25, 4.49, 51.73 ppm): 9 chemical-shift based assignments, quality = 0.985, support = 2.22, residual support = 10.6: * O T QB ALA 91 - HA ALA 91 11.111% * 97.6909% (1.00 10.0 10.00 2.27 10.82) = 97.691% kept HG13 ILE 19 - HA ALA 91 11.111% * 1.0055% (0.77 1.0 1.00 0.27 0.02) = 1.006% kept T QG2 THR 39 - HA ALA 91 11.111% * 0.9769% (1.00 1.0 10.00 0.02 0.02) = 0.977% HG3 LYS+ 38 - HA ALA 91 11.111% * 0.0835% (0.85 1.0 1.00 0.02 0.02) = 0.084% QG2 ILE 56 - HA ALA 91 11.111% * 0.0616% (0.63 1.0 1.00 0.02 0.02) = 0.062% HG3 LYS+ 99 - HA ALA 91 11.111% * 0.0522% (0.53 1.0 1.00 0.02 0.02) = 0.052% HG2 LYS+ 74 - HA ALA 91 11.111% * 0.0476% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG LEU 71 - HA ALA 91 11.111% * 0.0431% (0.44 1.0 1.00 0.02 0.02) = 0.043% QB ALA 34 - HA ALA 91 11.111% * 0.0387% (0.40 1.0 1.00 0.02 0.02) = 0.039% Peak 1063 (4.49, 1.25, 21.56 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 2.25, residual support = 10.7: * O T HA ALA 91 - QB ALA 91 12.500% * 99.2355% (1.00 10.0 10.00 2.27 10.82) = 99.236% kept T HA ALA 91 - QG2 THR 39 12.500% * 0.4686% (0.47 1.0 10.00 0.02 0.02) = 0.469% HA VAL 107 - QB ALA 91 12.500% * 0.0943% (0.95 1.0 1.00 0.02 0.02) = 0.094% HA TRP 27 - QB ALA 91 12.500% * 0.0884% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA VAL 107 - QG2 THR 39 12.500% * 0.0445% (0.45 1.0 1.00 0.02 0.02) = 0.045% HA TRP 27 - QG2 THR 39 12.500% * 0.0418% (0.42 1.0 1.00 0.02 0.02) = 0.042% HA PRO 52 - QB ALA 91 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA PRO 52 - QG2 THR 39 12.500% * 0.0086% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 1064 (1.25, 1.25, 21.56 ppm): 2 diagonal assignments: * QB ALA 91 - QB ALA 91 (1.00) kept QG2 THR 39 - QG2 THR 39 (0.47) kept Peak 1065 (5.07, 3.58, 50.24 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 3.97, residual support = 125.5: * O T HA PRO 93 - HD2 PRO 93 100.000% *100.0000% (0.63 10.0 10.00 3.97 125.53) = 100.000% kept Peak 1066 (2.06, 3.58, 50.24 ppm): 11 chemical-shift based assignments, quality = 0.627, support = 5.27, residual support = 124.9: * O T HB2 PRO 93 - HD2 PRO 93 9.091% * 99.4777% (0.63 10.0 10.00 5.30 125.53) = 99.478% kept T HG3 GLN 30 - HD2 PRO 93 9.091% * 0.1575% (0.10 1.0 10.00 0.02 0.02) = 0.157% HB2 ARG+ 54 - HD2 PRO 93 9.091% * 0.0811% (0.51 1.0 1.00 0.02 0.02) = 0.081% HB VAL 108 - HD2 PRO 93 9.091% * 0.0722% (0.46 1.0 1.00 0.02 0.02) = 0.072% HB ILE 119 - HD2 PRO 93 9.091% * 0.0438% (0.28 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 30 - HD2 PRO 93 9.091% * 0.0438% (0.28 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 100 - HD2 PRO 93 9.091% * 0.0353% (0.22 1.0 1.00 0.02 0.02) = 0.035% HG2 MET 11 - HD2 PRO 93 9.091% * 0.0277% (0.18 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 14 - HD2 PRO 93 9.091% * 0.0243% (0.15 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 52 - HD2 PRO 93 9.091% * 0.0183% (0.12 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 58 - HD2 PRO 93 9.091% * 0.0183% (0.12 1.0 1.00 0.02 0.02) = 0.018% Peak 1067 (1.81, 3.58, 50.24 ppm): 10 chemical-shift based assignments, quality = 0.628, support = 3.95, residual support = 124.9: * O T HG2 PRO 93 - HD2 PRO 93 10.000% * 99.5182% (0.63 10.0 10.00 3.97 125.53) = 99.518% kept QB LYS+ 102 - HD2 PRO 93 10.000% * 0.0887% (0.56 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 66 - HD2 PRO 93 10.000% * 0.0851% (0.54 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 65 - HD2 PRO 93 10.000% * 0.0768% (0.49 1.0 1.00 0.02 1.10) = 0.077% HB2 LEU 71 - HD2 PRO 93 10.000% * 0.0723% (0.46 1.0 1.00 0.02 0.02) = 0.072% HB VAL 41 - HD2 PRO 93 10.000% * 0.0628% (0.40 1.0 1.00 0.02 0.02) = 0.063% HG12 ILE 103 - HD2 PRO 93 10.000% * 0.0439% (0.28 1.0 1.00 0.02 0.02) = 0.044% HG LEU 123 - HD2 PRO 93 10.000% * 0.0183% (0.12 1.0 1.00 0.02 0.02) = 0.018% HB3 PRO 52 - HD2 PRO 93 10.000% * 0.0183% (0.12 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 17 - HD2 PRO 93 10.000% * 0.0158% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 1068 (3.58, 3.58, 50.24 ppm): 1 diagonal assignment: * HD2 PRO 93 - HD2 PRO 93 (0.40) kept Peak 1069 (3.34, 3.58, 50.24 ppm): 6 chemical-shift based assignments, quality = 0.532, support = 3.92, residual support = 123.9: * O T HD3 PRO 93 - HD2 PRO 93 16.667% * 98.7002% (0.54 10.0 10.00 3.97 125.53) = 98.700% kept T HD3 PRO 68 - HD2 PRO 93 16.667% * 0.9407% (0.51 1.0 10.00 0.02 0.02) = 0.941% HD2 ARG+ 54 - HD2 PRO 93 16.667% * 0.1155% (0.63 1.0 1.00 0.02 0.02) = 0.115% HB3 CYS 53 - HD2 PRO 93 16.667% * 0.1140% (0.62 1.0 1.00 0.02 0.02) = 0.114% QB PHE 55 - HD2 PRO 93 16.667% * 0.0838% (0.46 1.0 1.00 0.02 0.02) = 0.084% HB2 PHE 59 - HD2 PRO 93 16.667% * 0.0458% (0.25 1.0 1.00 0.02 0.02) = 0.046% Peak 1070 (5.07, 3.34, 50.24 ppm): 2 chemical-shift based assignments, quality = 0.853, support = 4.99, residual support = 125.3: * O T HA PRO 93 - HD3 PRO 93 50.000% * 99.8249% (0.85 10.0 10.00 5.00 125.53) = 99.825% kept T HA PRO 93 - HD3 PRO 68 50.000% * 0.1751% (0.15 1.0 10.00 0.02 0.02) = 0.175% Peak 1071 (2.06, 3.34, 50.24 ppm): 22 chemical-shift based assignments, quality = 0.841, support = 5.31, residual support = 123.5: * O T HB2 PRO 93 - HD3 PRO 93 4.545% * 98.3725% (0.85 10.0 10.00 5.40 125.53) = 98.373% kept T HB2 ARG+ 54 - HD3 PRO 93 4.545% * 0.8015% (0.70 1.0 10.00 0.02 0.02) = 0.802% T HB2 PRO 93 - HD3 PRO 68 4.545% * 0.1725% (0.15 1.0 10.00 0.02 0.02) = 0.173% T HG3 GLN 30 - HD3 PRO 93 4.545% * 0.1557% (0.14 1.0 10.00 0.02 0.02) = 0.156% T HB2 ARG+ 54 - HD3 PRO 68 4.545% * 0.1406% (0.12 1.0 10.00 0.02 0.02) = 0.141% HB VAL 108 - HD3 PRO 93 4.545% * 0.0714% (0.62 1.0 1.00 0.02 0.02) = 0.071% HB2 GLN 30 - HD3 PRO 93 4.545% * 0.0434% (0.38 1.0 1.00 0.02 0.02) = 0.043% HB ILE 119 - HD3 PRO 93 4.545% * 0.0434% (0.38 1.0 1.00 0.02 0.02) = 0.043% HB3 GLU- 100 - HD3 PRO 93 4.545% * 0.0349% (0.30 1.0 1.00 0.02 0.02) = 0.035% HG2 MET 11 - HD3 PRO 93 4.545% * 0.0274% (0.24 1.0 1.00 0.02 0.02) = 0.027% T HG3 GLN 30 - HD3 PRO 68 4.545% * 0.0273% (0.02 1.0 10.00 0.02 0.02) = 0.027% HB2 GLU- 14 - HD3 PRO 93 4.545% * 0.0240% (0.21 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 58 - HD3 PRO 93 4.545% * 0.0181% (0.16 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 52 - HD3 PRO 93 4.545% * 0.0181% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB VAL 108 - HD3 PRO 68 4.545% * 0.0125% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB2 GLN 30 - HD3 PRO 68 4.545% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB ILE 119 - HD3 PRO 68 4.545% * 0.0076% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB3 GLU- 100 - HD3 PRO 68 4.545% * 0.0061% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG2 MET 11 - HD3 PRO 68 4.545% * 0.0048% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB2 GLU- 14 - HD3 PRO 68 4.545% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 58 - HD3 PRO 68 4.545% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 52 - HD3 PRO 68 4.545% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1072 (1.81, 3.34, 50.24 ppm): 20 chemical-shift based assignments, quality = 0.847, support = 3.96, residual support = 124.4: * O T HG2 PRO 93 - HD3 PRO 93 5.000% * 99.0696% (0.85 10.0 10.00 4.00 125.53) = 99.070% kept T HB3 PRO 52 - HD3 PRO 93 5.000% * 0.1823% (0.16 1.0 10.00 0.02 0.02) = 0.182% T HG2 PRO 93 - HD3 PRO 68 5.000% * 0.1737% (0.15 1.0 10.00 0.02 0.02) = 0.174% QB LYS+ 102 - HD3 PRO 93 5.000% * 0.0883% (0.76 1.0 1.00 0.02 0.02) = 0.088% QB LYS+ 66 - HD3 PRO 93 5.000% * 0.0847% (0.73 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 65 - HD3 PRO 93 5.000% * 0.0764% (0.66 1.0 1.00 0.02 1.10) = 0.076% HB2 LEU 71 - HD3 PRO 93 5.000% * 0.0719% (0.62 1.0 1.00 0.02 0.02) = 0.072% HB VAL 41 - HD3 PRO 93 5.000% * 0.0625% (0.54 1.0 1.00 0.02 0.02) = 0.062% HG12 ILE 103 - HD3 PRO 93 5.000% * 0.0437% (0.38 1.0 1.00 0.02 0.02) = 0.044% T HB3 PRO 52 - HD3 PRO 68 5.000% * 0.0320% (0.03 1.0 10.00 0.02 0.02) = 0.032% HG LEU 123 - HD3 PRO 93 5.000% * 0.0182% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 17 - HD3 PRO 93 5.000% * 0.0157% (0.14 1.0 1.00 0.02 0.02) = 0.016% QB LYS+ 102 - HD3 PRO 68 5.000% * 0.0155% (0.13 1.0 1.00 0.02 0.02) = 0.015% QB LYS+ 66 - HD3 PRO 68 5.000% * 0.0149% (0.13 1.0 1.00 0.02 0.02) = 0.015% QB LYS+ 65 - HD3 PRO 68 5.000% * 0.0134% (0.12 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 71 - HD3 PRO 68 5.000% * 0.0126% (0.11 1.0 1.00 0.02 0.02) = 0.013% HB VAL 41 - HD3 PRO 68 5.000% * 0.0110% (0.09 1.0 1.00 0.02 0.02) = 0.011% HG12 ILE 103 - HD3 PRO 68 5.000% * 0.0077% (0.07 1.0 1.00 0.02 0.02) = 0.008% HG LEU 123 - HD3 PRO 68 5.000% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 GLN 17 - HD3 PRO 68 5.000% * 0.0028% (0.02 1.0 1.00 0.02 0.02) = 0.003% Peak 1073 (3.58, 3.34, 50.24 ppm): 6 chemical-shift based assignments, quality = 0.537, support = 3.95, residual support = 125.0: * O T HD2 PRO 93 - HD3 PRO 93 16.667% * 99.5498% (0.54 10.0 10.00 3.97 125.53) = 99.550% kept T HD2 PRO 93 - HD3 PRO 68 16.667% * 0.1746% (0.09 1.0 10.00 0.02 0.02) = 0.175% HA THR 77 - HD3 PRO 93 16.667% * 0.1349% (0.73 1.0 1.00 0.02 0.02) = 0.135% HB2 TRP 27 - HD3 PRO 93 16.667% * 0.0995% (0.54 1.0 1.00 0.02 0.02) = 0.100% HA THR 77 - HD3 PRO 68 16.667% * 0.0237% (0.13 1.0 1.00 0.02 0.02) = 0.024% HB2 TRP 27 - HD3 PRO 68 16.667% * 0.0175% (0.09 1.0 1.00 0.02 0.02) = 0.017% Peak 1074 (3.34, 3.34, 50.24 ppm): 2 diagonal assignments: * HD3 PRO 93 - HD3 PRO 93 (0.73) kept HD3 PRO 68 - HD3 PRO 68 (0.12) kept Peak 1075 (5.07, 5.07, 63.17 ppm): 1 diagonal assignment: * HA PRO 93 - HA PRO 93 (1.00) kept Peak 1076 (2.06, 5.07, 63.17 ppm): 11 chemical-shift based assignments, quality = 0.995, support = 5.88, residual support = 124.9: * O T HB2 PRO 93 - HA PRO 93 9.091% * 99.4777% (1.00 10.0 10.00 5.91 125.53) = 99.478% kept T HG3 GLN 30 - HA PRO 93 9.091% * 0.1575% (0.16 1.0 10.00 0.02 0.02) = 0.157% HB2 ARG+ 54 - HA PRO 93 9.091% * 0.0811% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB VAL 108 - HA PRO 93 9.091% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB ILE 119 - HA PRO 93 9.091% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 30 - HA PRO 93 9.091% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 100 - HA PRO 93 9.091% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 MET 11 - HA PRO 93 9.091% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 14 - HA PRO 93 9.091% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 52 - HA PRO 93 9.091% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG2 PRO 58 - HA PRO 93 9.091% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1077 (1.81, 5.07, 63.17 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 4.98, residual support = 124.9: * O T HG2 PRO 93 - HA PRO 93 10.000% * 99.5182% (1.00 10.0 10.00 5.00 125.53) = 99.518% kept QB LYS+ 102 - HA PRO 93 10.000% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 66 - HA PRO 93 10.000% * 0.0851% (0.85 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 65 - HA PRO 93 10.000% * 0.0768% (0.77 1.0 1.00 0.02 1.10) = 0.077% HB2 LEU 71 - HA PRO 93 10.000% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB VAL 41 - HA PRO 93 10.000% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG12 ILE 103 - HA PRO 93 10.000% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG LEU 123 - HA PRO 93 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 PRO 52 - HA PRO 93 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 17 - HA PRO 93 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1078 (3.58, 5.07, 63.17 ppm): 3 chemical-shift based assignments, quality = 0.629, support = 3.96, residual support = 125.2: * O T HD2 PRO 93 - HA PRO 93 33.333% * 99.7650% (0.63 10.0 10.00 3.97 125.53) = 99.765% kept HA THR 77 - HA PRO 93 33.333% * 0.1352% (0.85 1.0 1.00 0.02 0.02) = 0.135% HB2 TRP 27 - HA PRO 93 33.333% * 0.0998% (0.63 1.0 1.00 0.02 0.02) = 0.100% Peak 1079 (3.34, 5.07, 63.17 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 4.94, residual support = 123.9: * O T HD3 PRO 93 - HA PRO 93 16.667% * 98.7002% (0.85 10.0 10.00 5.00 125.53) = 98.700% kept T HD3 PRO 68 - HA PRO 93 16.667% * 0.9407% (0.81 1.0 10.00 0.02 0.02) = 0.941% HD2 ARG+ 54 - HA PRO 93 16.667% * 0.1155% (1.00 1.0 1.00 0.02 0.02) = 0.115% HB3 CYS 53 - HA PRO 93 16.667% * 0.1140% (0.99 1.0 1.00 0.02 0.02) = 0.114% QB PHE 55 - HA PRO 93 16.667% * 0.0838% (0.73 1.0 1.00 0.02 0.02) = 0.084% HB2 PHE 59 - HA PRO 93 16.667% * 0.0458% (0.40 1.0 1.00 0.02 0.02) = 0.046% Peak 1081 (2.06, 2.06, 34.10 ppm): 2 diagonal assignments: * HB2 PRO 93 - HB2 PRO 93 (1.00) kept HG3 GLN 30 - HG3 GLN 30 (0.01) kept Peak 1082 (1.81, 2.06, 34.10 ppm): 20 chemical-shift based assignments, quality = 0.993, support = 5.36, residual support = 124.6: * O T HG2 PRO 93 - HB2 PRO 93 5.000% * 99.2832% (1.00 10.0 10.00 5.40 125.53) = 99.283% kept T HB3 PRO 52 - HB2 PRO 93 5.000% * 0.1827% (0.18 1.0 10.00 0.02 0.02) = 0.183% QB LYS+ 102 - HB2 PRO 93 5.000% * 0.0885% (0.89 1.0 1.00 0.02 0.02) = 0.088% QB LYS+ 66 - HB2 PRO 93 5.000% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 65 - HB2 PRO 93 5.000% * 0.0766% (0.77 1.0 1.00 0.02 1.10) = 0.077% HB2 LEU 71 - HB2 PRO 93 5.000% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB VAL 41 - HB2 PRO 93 5.000% * 0.0626% (0.63 1.0 1.00 0.02 0.02) = 0.063% T HG2 PRO 93 - HG3 GLN 30 5.000% * 0.0441% (0.04 1.0 10.00 0.02 0.02) = 0.044% HG12 ILE 103 - HB2 PRO 93 5.000% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG LEU 123 - HB2 PRO 93 5.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 17 - HB2 PRO 93 5.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% T HB3 GLN 17 - HG3 GLN 30 5.000% * 0.0070% (0.01 1.0 10.00 0.02 0.02) = 0.007% QB LYS+ 102 - HG3 GLN 30 5.000% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB LYS+ 66 - HG3 GLN 30 5.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB LYS+ 65 - HG3 GLN 30 5.000% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 71 - HG3 GLN 30 5.000% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB VAL 41 - HG3 GLN 30 5.000% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 103 - HG3 GLN 30 5.000% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG LEU 123 - HG3 GLN 30 5.000% * 0.0008% (0.01 1.0 1.00 0.02 3.49) = 0.001% HB3 PRO 52 - HG3 GLN 30 5.000% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1083 (3.58, 2.06, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.629, support = 5.29, residual support = 125.2: * O T HD2 PRO 93 - HB2 PRO 93 16.667% * 99.7105% (0.63 10.0 10.00 5.30 125.53) = 99.710% kept HA THR 77 - HB2 PRO 93 16.667% * 0.1351% (0.85 1.0 1.00 0.02 0.02) = 0.135% HB2 TRP 27 - HB2 PRO 93 16.667% * 0.0997% (0.63 1.0 1.00 0.02 0.02) = 0.100% T HD2 PRO 93 - HG3 GLN 30 16.667% * 0.0442% (0.03 1.0 10.00 0.02 0.02) = 0.044% HA THR 77 - HG3 GLN 30 16.667% * 0.0060% (0.04 1.0 1.00 0.02 0.02) = 0.006% HB2 TRP 27 - HG3 GLN 30 16.667% * 0.0044% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 1084 (3.34, 2.06, 34.10 ppm): 12 chemical-shift based assignments, quality = 0.845, support = 5.26, residual support = 122.4: * O T HD3 PRO 93 - HB2 PRO 93 8.333% * 97.5427% (0.85 10.0 10.00 5.40 125.53) = 97.543% kept T HD2 ARG+ 54 - HB2 PRO 93 8.333% * 1.1410% (1.00 1.0 10.00 0.02 0.02) = 1.141% kept T HD3 PRO 68 - HB2 PRO 93 8.333% * 0.9297% (0.81 1.0 10.00 0.02 0.02) = 0.930% HB3 CYS 53 - HB2 PRO 93 8.333% * 0.1127% (0.99 1.0 1.00 0.02 0.02) = 0.113% QB PHE 55 - HB2 PRO 93 8.333% * 0.0829% (0.73 1.0 1.00 0.02 0.02) = 0.083% T HD2 ARG+ 54 - HG3 GLN 30 8.333% * 0.0506% (0.04 1.0 10.00 0.02 0.02) = 0.051% HB2 PHE 59 - HB2 PRO 93 8.333% * 0.0453% (0.40 1.0 1.00 0.02 0.02) = 0.045% T HD3 PRO 93 - HG3 GLN 30 8.333% * 0.0433% (0.04 1.0 10.00 0.02 0.02) = 0.043% T HD3 PRO 68 - HG3 GLN 30 8.333% * 0.0413% (0.04 1.0 10.00 0.02 0.02) = 0.041% HB3 CYS 53 - HG3 GLN 30 8.333% * 0.0050% (0.04 1.0 1.00 0.02 0.02) = 0.005% QB PHE 55 - HG3 GLN 30 8.333% * 0.0037% (0.03 1.0 1.00 0.02 1.33) = 0.004% HB2 PHE 59 - HG3 GLN 30 8.333% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1085 (5.07, 1.81, 24.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 125.5: * O T HA PRO 93 - HG2 PRO 93 100.000% *100.0000% (1.00 10.0 10.00 5.00 125.53) = 100.000% kept Peak 1086 (2.06, 1.81, 24.81 ppm): 11 chemical-shift based assignments, quality = 0.992, support = 5.35, residual support = 124.5: * O T HB2 PRO 93 - HG2 PRO 93 9.091% * 99.1511% (1.00 10.0 10.00 5.40 125.53) = 99.151% kept T HG3 PRO 52 - HG2 PRO 93 9.091% * 0.1824% (0.18 1.0 10.00 0.02 0.02) = 0.182% T HG2 PRO 58 - HG2 PRO 93 9.091% * 0.1824% (0.18 1.0 10.00 0.02 0.02) = 0.182% T HG3 GLN 30 - HG2 PRO 93 9.091% * 0.1570% (0.16 1.0 10.00 0.02 0.02) = 0.157% HB2 ARG+ 54 - HG2 PRO 93 9.091% * 0.0808% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB VAL 108 - HG2 PRO 93 9.091% * 0.0720% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB ILE 119 - HG2 PRO 93 9.091% * 0.0437% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 GLN 30 - HG2 PRO 93 9.091% * 0.0437% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 GLU- 100 - HG2 PRO 93 9.091% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 MET 11 - HG2 PRO 93 9.091% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 14 - HG2 PRO 93 9.091% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1087 (1.81, 1.81, 24.81 ppm): 1 diagonal assignment: * HG2 PRO 93 - HG2 PRO 93 (1.00) kept Peak 1088 (3.58, 1.81, 24.81 ppm): 3 chemical-shift based assignments, quality = 0.629, support = 3.96, residual support = 125.2: * O T HD2 PRO 93 - HG2 PRO 93 33.333% * 99.7650% (0.63 10.0 10.00 3.97 125.53) = 99.765% kept HA THR 77 - HG2 PRO 93 33.333% * 0.1352% (0.85 1.0 1.00 0.02 0.02) = 0.135% HB2 TRP 27 - HG2 PRO 93 33.333% * 0.0998% (0.63 1.0 1.00 0.02 0.02) = 0.100% Peak 1089 (3.34, 1.81, 24.81 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 3.95, residual support = 123.9: * O T HD3 PRO 93 - HG2 PRO 93 16.667% * 98.7002% (0.85 10.0 10.00 4.00 125.53) = 98.700% kept T HD3 PRO 68 - HG2 PRO 93 16.667% * 0.9407% (0.81 1.0 10.00 0.02 0.02) = 0.941% HD2 ARG+ 54 - HG2 PRO 93 16.667% * 0.1155% (1.00 1.0 1.00 0.02 0.02) = 0.115% HB3 CYS 53 - HG2 PRO 93 16.667% * 0.1140% (0.99 1.0 1.00 0.02 0.02) = 0.114% QB PHE 55 - HG2 PRO 93 16.667% * 0.0838% (0.73 1.0 1.00 0.02 0.02) = 0.084% HB2 PHE 59 - HG2 PRO 93 16.667% * 0.0458% (0.40 1.0 1.00 0.02 0.02) = 0.046% Peak 1090 (4.95, 4.95, 63.38 ppm): 1 diagonal assignment: * HA THR 94 - HA THR 94 (1.00) kept Peak 1091 (3.95, 4.95, 63.38 ppm): 9 chemical-shift based assignments, quality = 0.766, support = 2.41, residual support = 19.6: * O T HB THR 94 - HA THR 94 11.111% * 99.2728% (0.77 10.0 10.00 2.43 19.72) = 99.273% kept HA ALA 120 - HA THR 94 11.111% * 0.1286% (1.00 1.0 1.00 0.02 0.02) = 0.129% QB SER 48 - HA THR 94 11.111% * 0.1146% (0.89 1.0 1.00 0.02 0.02) = 0.115% QB SER 85 - HA THR 94 11.111% * 0.0993% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 16 - HA THR 94 11.111% * 0.0993% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 65 - HA THR 94 11.111% * 0.0873% (0.68 1.0 1.00 0.02 0.02) = 0.087% HA LYS+ 121 - HA THR 94 11.111% * 0.0873% (0.68 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - HA THR 94 11.111% * 0.0749% (0.58 1.0 1.00 0.02 0.02) = 0.075% QB SER 117 - HA THR 94 11.111% * 0.0358% (0.28 1.0 1.00 0.02 0.02) = 0.036% Peak 1092 (1.19, 4.95, 63.38 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 2.49, residual support = 18.8: * O T QG2 THR 94 - HA THR 94 20.000% * 95.3343% (1.00 10.0 10.00 2.59 19.72) = 95.334% kept HD2 LYS+ 112 - HA THR 94 20.000% * 2.5137% (0.73 1.0 1.00 0.73 0.58) = 2.514% kept HB3 LYS+ 112 - HA THR 94 20.000% * 2.0743% (1.00 1.0 1.00 0.44 0.58) = 2.074% kept HB3 LEU 71 - HA THR 94 20.000% * 0.0601% (0.63 1.0 1.00 0.02 0.02) = 0.060% HG13 ILE 103 - HA THR 94 20.000% * 0.0175% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1093 (4.95, 3.95, 72.97 ppm): 2 chemical-shift based assignments, quality = 0.772, support = 2.43, residual support = 19.7: * O T HA THR 94 - HB THR 94 50.000% * 99.9865% (0.77 10.0 10.00 2.43 19.72) = 99.986% kept HA LYS+ 74 - HB THR 94 50.000% * 0.0135% (0.10 1.0 1.00 0.02 0.02) = 0.014% Peak 1094 (3.95, 3.95, 72.97 ppm): 1 diagonal assignment: * HB THR 94 - HB THR 94 (0.60) kept Peak 1095 (1.19, 3.95, 72.97 ppm): 5 chemical-shift based assignments, quality = 0.765, support = 2.12, residual support = 18.8: * O T QG2 THR 94 - HB THR 94 20.000% * 95.0120% (0.77 10.0 10.00 2.20 19.72) = 95.012% kept HD2 LYS+ 112 - HB THR 94 20.000% * 2.9778% (0.56 1.0 1.00 0.86 0.58) = 2.978% kept HB3 LYS+ 112 - HB THR 94 20.000% * 1.9327% (0.77 1.0 1.00 0.41 0.58) = 1.933% kept HB3 LEU 71 - HB THR 94 20.000% * 0.0599% (0.49 1.0 1.00 0.02 0.02) = 0.060% HG13 ILE 103 - HB THR 94 20.000% * 0.0175% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 1096 (4.95, 1.19, 21.81 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 2.59, residual support = 19.7: * O T HA THR 94 - QG2 THR 94 50.000% * 99.9865% (1.00 10.0 10.00 2.59 19.72) = 99.986% kept HA LYS+ 74 - QG2 THR 94 50.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1097 (3.95, 1.19, 21.81 ppm): 9 chemical-shift based assignments, quality = 0.766, support = 2.18, residual support = 19.6: * O T HB THR 94 - QG2 THR 94 11.111% * 99.2728% (0.77 10.0 10.00 2.20 19.72) = 99.273% kept HA ALA 120 - QG2 THR 94 11.111% * 0.1286% (1.00 1.0 1.00 0.02 0.02) = 0.129% QB SER 48 - QG2 THR 94 11.111% * 0.1146% (0.89 1.0 1.00 0.02 0.02) = 0.115% QB SER 85 - QG2 THR 94 11.111% * 0.0993% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 16 - QG2 THR 94 11.111% * 0.0993% (0.77 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 65 - QG2 THR 94 11.111% * 0.0873% (0.68 1.0 1.00 0.02 0.02) = 0.087% HA LYS+ 121 - QG2 THR 94 11.111% * 0.0873% (0.68 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - QG2 THR 94 11.111% * 0.0749% (0.58 1.0 1.00 0.02 0.02) = 0.075% QB SER 117 - QG2 THR 94 11.111% * 0.0358% (0.28 1.0 1.00 0.02 0.02) = 0.036% Peak 1098 (1.19, 1.19, 21.81 ppm): 1 diagonal assignment: * QG2 THR 94 - QG2 THR 94 (1.00) kept Peak 1099 (5.96, 5.96, 55.53 ppm): 1 diagonal assignment: * HA PHE 95 - HA PHE 95 (1.00) kept Peak 1100 (3.20, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 69.5: * O T HB2 PHE 95 - HA PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 69.47) = 100.000% kept Peak 1101 (2.54, 5.96, 55.53 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 69.4: * O T HB3 PHE 95 - HA PHE 95 33.333% * 99.8802% (1.00 10.0 10.00 3.44 69.47) = 99.880% kept HG2 GLN 116 - HA PHE 95 33.333% * 0.0986% (0.99 1.0 1.00 0.02 0.12) = 0.099% HG2 GLU- 25 - HA PHE 95 33.333% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1102 (5.96, 3.20, 40.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 69.5: * O T HA PHE 95 - HB2 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 69.47) = 100.000% kept Peak 1103 (3.20, 3.20, 40.96 ppm): 1 diagonal assignment: * HB2 PHE 95 - HB2 PHE 95 (1.00) kept Peak 1104 (2.54, 3.20, 40.96 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 69.4: * O T HB3 PHE 95 - HB2 PHE 95 33.333% * 99.8802% (1.00 10.0 10.00 3.00 69.47) = 99.880% kept HG2 GLN 116 - HB2 PHE 95 33.333% * 0.0986% (0.99 1.0 1.00 0.02 0.12) = 0.099% HG2 GLU- 25 - HB2 PHE 95 33.333% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1105 (5.96, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 69.5: * O T HA PHE 95 - HB3 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 69.47) = 100.000% kept Peak 1106 (3.20, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.0, residual support = 69.5: * O T HB2 PHE 95 - HB3 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.00 69.47) = 100.000% kept Peak 1107 (2.54, 2.54, 40.96 ppm): 1 diagonal assignment: * HB3 PHE 95 - HB3 PHE 95 (1.00) kept Peak 1108 (5.31, 5.31, 54.03 ppm): 1 diagonal assignment: * HA MET 96 - HA MET 96 (0.94) kept Peak 1109 (2.21, 5.31, 54.03 ppm): 7 chemical-shift based assignments, quality = 0.951, support = 4.91, residual support = 102.1: * O T HB2 MET 96 - HA MET 96 14.286% * 97.2080% (0.97 10.0 10.00 5.00 105.06) = 97.208% kept HB2 ASP- 105 - HA MET 96 14.286% * 2.5133% (0.27 1.0 1.00 1.86 0.02) = 2.513% kept HB VAL 70 - HA MET 96 14.286% * 0.0660% (0.66 1.0 1.00 0.02 0.02) = 0.066% HG2 GLU- 100 - HA MET 96 14.286% * 0.0613% (0.61 1.0 1.00 0.02 0.02) = 0.061% QG GLN 17 - HA MET 96 14.286% * 0.0566% (0.57 1.0 1.00 0.02 0.02) = 0.057% HB3 ASP- 76 - HA MET 96 14.286% * 0.0519% (0.52 1.0 1.00 0.02 0.02) = 0.052% HB2 GLU- 25 - HA MET 96 14.286% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 1110 (1.93, 5.31, 54.03 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 4.42, residual support = 104.8: * O T HB3 MET 96 - HA MET 96 25.000% * 99.7881% (0.97 10.0 10.00 4.43 105.06) = 99.788% kept HB3 GLU- 14 - HA MET 96 25.000% * 0.0813% (0.79 1.0 1.00 0.02 0.02) = 0.081% HB2 LEU 40 - HA MET 96 25.000% * 0.0725% (0.71 1.0 1.00 0.02 0.53) = 0.072% HG3 MET 11 - HA MET 96 25.000% * 0.0581% (0.57 1.0 1.00 0.02 0.02) = 0.058% Peak 1111 (2.61, 5.31, 54.03 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 4.43, residual support = 104.8: * O T HG2 MET 96 - HA MET 96 50.000% * 99.7567% (0.97 10.0 10.00 4.44 105.06) = 99.757% kept T HB2 PRO 52 - HA MET 96 50.000% * 0.2433% (0.24 1.0 10.00 0.02 0.02) = 0.243% Peak 1112 (2.47, 5.31, 54.03 ppm): 3 chemical-shift based assignments, quality = 0.472, support = 4.43, residual support = 104.9: * O T HG3 MET 96 - HA MET 96 33.333% * 99.8093% (0.47 10.0 10.00 4.44 105.06) = 99.809% kept HG2 GLU- 36 - HA MET 96 33.333% * 0.1582% (0.75 1.0 1.00 0.02 0.02) = 0.158% HG3 GLN 116 - HA MET 96 33.333% * 0.0325% (0.15 1.0 1.00 0.02 0.02) = 0.032% Peak 1113 (5.31, 2.21, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 5.0, residual support = 105.1: * O T HA MET 96 - HB2 MET 96 100.000% *100.0000% (0.97 10.0 10.00 5.00 105.06) = 100.000% kept Peak 1114 (2.21, 2.21, 36.87 ppm): 1 diagonal assignment: * HB2 MET 96 - HB2 MET 96 (1.00) kept Peak 1115 (1.93, 2.21, 36.87 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.3, residual support = 104.8: * O T HB3 MET 96 - HB2 MET 96 25.000% * 99.7881% (1.00 10.0 10.00 4.31 105.06) = 99.788% kept HB3 GLU- 14 - HB2 MET 96 25.000% * 0.0813% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 LEU 40 - HB2 MET 96 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.53) = 0.072% HG3 MET 11 - HB2 MET 96 25.000% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% Peak 1116 (2.61, 2.21, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 104.8: * O T HG2 MET 96 - HB2 MET 96 50.000% * 99.7567% (1.00 10.0 10.00 4.44 105.06) = 99.757% kept T HB2 PRO 52 - HB2 MET 96 50.000% * 0.2433% (0.24 1.0 10.00 0.02 0.02) = 0.243% Peak 1117 (2.47, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.485, support = 4.28, residual support = 104.7: * O T HG3 MET 96 - HB2 MET 96 33.333% * 99.6618% (0.49 10.0 10.00 4.30 105.06) = 99.662% kept HG3 GLN 116 - HB2 MET 96 33.333% * 0.1802% (0.16 1.0 1.00 0.11 0.02) = 0.180% HG2 GLU- 36 - HB2 MET 96 33.333% * 0.1580% (0.77 1.0 1.00 0.02 0.02) = 0.158% Peak 1118 (5.31, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 4.43, residual support = 105.1: * O T HA MET 96 - HB3 MET 96 100.000% *100.0000% (0.97 10.0 10.00 4.43 105.06) = 100.000% kept Peak 1119 (2.21, 1.93, 36.87 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.3, residual support = 104.7: * O T HB2 MET 96 - HB3 MET 96 14.286% * 99.6865% (1.00 10.0 10.00 4.31 105.06) = 99.686% kept HB VAL 70 - HB3 MET 96 14.286% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HG2 GLU- 100 - HB3 MET 96 14.286% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% QG GLN 17 - HB3 MET 96 14.286% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HB3 MET 96 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB2 GLU- 25 - HB3 MET 96 14.286% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 105 - HB3 MET 96 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1120 (1.93, 1.93, 36.87 ppm): 1 diagonal assignment: * HB3 MET 96 - HB3 MET 96 (1.00) kept Peak 1121 (2.61, 1.93, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.85, residual support = 104.8: * O T HG2 MET 96 - HB3 MET 96 50.000% * 99.7567% (1.00 10.0 10.00 3.86 105.06) = 99.757% kept T HB2 PRO 52 - HB3 MET 96 50.000% * 0.2433% (0.24 1.0 10.00 0.02 0.02) = 0.243% Peak 1122 (2.47, 1.93, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.486, support = 3.71, residual support = 104.9: * O T HG3 MET 96 - HB3 MET 96 33.333% * 99.8093% (0.49 10.0 10.00 3.72 105.06) = 99.809% kept HG2 GLU- 36 - HB3 MET 96 33.333% * 0.1582% (0.77 1.0 1.00 0.02 0.02) = 0.158% HG3 GLN 116 - HB3 MET 96 33.333% * 0.0325% (0.16 1.0 1.00 0.02 0.02) = 0.032% Peak 1123 (5.31, 2.61, 32.67 ppm): 2 chemical-shift based assignments, quality = 0.97, support = 4.43, residual support = 104.9: * O T HA MET 96 - HG2 MET 96 50.000% * 99.8095% (0.97 10.0 10.00 4.44 105.06) = 99.810% kept T HA MET 96 - HB2 PRO 52 50.000% * 0.1905% (0.19 1.0 10.00 0.02 0.02) = 0.190% Peak 1124 (2.21, 2.61, 32.67 ppm): 14 chemical-shift based assignments, quality = 0.994, support = 4.41, residual support = 104.5: * O T HB2 MET 96 - HG2 MET 96 7.143% * 99.4378% (1.00 10.0 10.00 4.44 105.06) = 99.438% kept T HB2 MET 96 - HB2 PRO 52 7.143% * 0.1898% (0.19 1.0 10.00 0.02 0.02) = 0.190% HB VAL 70 - HG2 MET 96 7.143% * 0.0675% (0.68 1.0 1.00 0.02 0.02) = 0.068% HG2 GLU- 100 - HG2 MET 96 7.143% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% QG GLN 17 - HG2 MET 96 7.143% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HG2 MET 96 7.143% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB2 GLU- 25 - HG2 MET 96 7.143% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 ASP- 105 - HG2 MET 96 7.143% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 70 - HB2 PRO 52 7.143% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG2 GLU- 100 - HB2 PRO 52 7.143% * 0.0120% (0.12 1.0 1.00 0.02 0.02) = 0.012% QG GLN 17 - HB2 PRO 52 7.143% * 0.0111% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 ASP- 76 - HB2 PRO 52 7.143% * 0.0101% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 GLU- 25 - HB2 PRO 52 7.143% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 105 - HB2 PRO 52 7.143% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 1125 (1.93, 2.61, 32.67 ppm): 8 chemical-shift based assignments, quality = 0.993, support = 3.8, residual support = 103.3: * O T HB3 MET 96 - HG2 MET 96 12.500% * 98.3299% (1.00 10.0 10.00 3.86 105.06) = 98.330% kept HB2 LEU 40 - HG2 MET 96 12.500% * 1.3052% (0.73 1.0 1.00 0.37 0.53) = 1.305% kept T HB3 MET 96 - HB2 PRO 52 12.500% * 0.1877% (0.19 1.0 10.00 0.02 0.02) = 0.188% HB3 GLU- 14 - HG2 MET 96 12.500% * 0.0801% (0.81 1.0 1.00 0.02 0.02) = 0.080% HG3 MET 11 - HG2 MET 96 12.500% * 0.0573% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB3 GLU- 14 - HB2 PRO 52 12.500% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 40 - HB2 PRO 52 12.500% * 0.0136% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG3 MET 11 - HB2 PRO 52 12.500% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1126 (2.61, 2.61, 32.67 ppm): 2 diagonal assignments: * HG2 MET 96 - HG2 MET 96 (1.00) kept HB2 PRO 52 - HB2 PRO 52 (0.05) kept Peak 1127 (2.47, 2.61, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.485, support = 3.98, residual support = 104.6: * O T HG3 MET 96 - HG2 MET 96 16.667% * 99.5834% (0.49 10.0 10.00 4.00 105.06) = 99.583% kept T HG3 MET 96 - HB2 PRO 52 16.667% * 0.1901% (0.09 1.0 10.00 0.02 0.02) = 0.190% HG2 GLU- 36 - HG2 MET 96 16.667% * 0.1579% (0.77 1.0 1.00 0.02 0.02) = 0.158% HG3 GLN 116 - HG2 MET 96 16.667% * 0.0324% (0.16 1.0 1.00 0.02 0.02) = 0.032% HG2 GLU- 36 - HB2 PRO 52 16.667% * 0.0301% (0.15 1.0 1.00 0.02 0.02) = 0.030% HG3 GLN 116 - HB2 PRO 52 16.667% * 0.0062% (0.03 1.0 1.00 0.02 0.02) = 0.006% Peak 1128 (5.31, 2.47, 32.67 ppm): 1 chemical-shift based assignment, quality = 0.473, support = 4.44, residual support = 105.1: * O T HA MET 96 - HG3 MET 96 100.000% *100.0000% (0.47 10.0 10.00 4.44 105.06) = 100.000% kept Peak 1129 (2.21, 2.47, 32.67 ppm): 7 chemical-shift based assignments, quality = 0.481, support = 4.24, residual support = 103.5: * O T HB2 MET 96 - HG3 MET 96 14.286% * 98.4983% (0.49 10.0 10.00 4.30 105.06) = 98.498% kept HB2 ASP- 105 - HG3 MET 96 14.286% * 1.2194% (0.14 1.0 1.00 0.89 0.02) = 1.219% kept HB VAL 70 - HG3 MET 96 14.286% * 0.0669% (0.33 1.0 1.00 0.02 0.02) = 0.067% HG2 GLU- 100 - HG3 MET 96 14.286% * 0.0621% (0.31 1.0 1.00 0.02 0.02) = 0.062% QG GLN 17 - HG3 MET 96 14.286% * 0.0574% (0.28 1.0 1.00 0.02 0.02) = 0.057% HB3 ASP- 76 - HG3 MET 96 14.286% * 0.0526% (0.26 1.0 1.00 0.02 0.02) = 0.053% HB2 GLU- 25 - HG3 MET 96 14.286% * 0.0434% (0.21 1.0 1.00 0.02 0.02) = 0.043% Peak 1130 (1.93, 2.47, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.484, support = 3.67, residual support = 103.6: * O T HB3 MET 96 - HG3 MET 96 25.000% * 98.5933% (0.49 10.0 10.00 3.72 105.06) = 98.593% kept HB2 LEU 40 - HG3 MET 96 25.000% * 1.2689% (0.35 1.0 1.00 0.35 0.53) = 1.269% kept HB3 GLU- 14 - HG3 MET 96 25.000% * 0.0803% (0.40 1.0 1.00 0.02 0.02) = 0.080% HG3 MET 11 - HG3 MET 96 25.000% * 0.0574% (0.28 1.0 1.00 0.02 0.02) = 0.057% Peak 1131 (2.61, 2.47, 32.67 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 3.99, residual support = 104.8: * O T HG2 MET 96 - HG3 MET 96 50.000% * 99.7567% (0.49 10.0 10.00 4.00 105.06) = 99.757% kept T HB2 PRO 52 - HG3 MET 96 50.000% * 0.2433% (0.12 1.0 10.00 0.02 0.02) = 0.243% Peak 1132 (2.47, 2.47, 32.67 ppm): 1 diagonal assignment: * HG3 MET 96 - HG3 MET 96 (0.24) kept Peak 1133 (5.36, 5.36, 56.63 ppm): 1 diagonal assignment: * HA PHE 97 - HA PHE 97 (1.00) kept Peak 1134 (2.99, 5.36, 56.63 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 2.88, residual support = 55.9: * O T HB2 PHE 97 - HA PHE 97 20.000% * 99.7703% (1.00 10.0 10.00 2.88 55.98) = 99.770% kept HB3 TRP 27 - HA PHE 97 20.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HA PHE 97 20.000% * 0.0629% (0.63 1.0 1.00 0.02 10.98) = 0.063% HB3 PHE 60 - HA PHE 97 20.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% QE LYS+ 99 - HA PHE 97 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1135 (2.36, 5.36, 56.63 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 3.42, residual support = 55.8: * O T HB3 PHE 97 - HA PHE 97 25.000% * 99.7561% (0.92 10.0 10.00 3.43 55.98) = 99.756% kept HB2 PRO 58 - HA PHE 97 25.000% * 0.0924% (0.85 1.0 1.00 0.02 0.02) = 0.092% HB2 GLN 116 - HA PHE 97 25.000% * 0.0834% (0.77 1.0 1.00 0.02 0.02) = 0.083% HB2 GLU- 100 - HA PHE 97 25.000% * 0.0682% (0.63 1.0 1.00 0.02 0.02) = 0.068% Peak 1136 (5.36, 2.99, 40.60 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.88, residual support = 56.0: * O T HA PHE 97 - HB2 PHE 97 100.000% *100.0000% (1.00 10.0 10.00 2.88 55.98) = 100.000% kept Peak 1137 (2.99, 2.99, 40.60 ppm): 1 diagonal assignment: * HB2 PHE 97 - HB2 PHE 97 (1.00) kept Peak 1138 (2.36, 2.99, 40.60 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 3.28, residual support = 55.8: * O T HB3 PHE 97 - HB2 PHE 97 25.000% * 99.7561% (0.92 10.0 10.00 3.29 55.98) = 99.756% kept HB2 PRO 58 - HB2 PHE 97 25.000% * 0.0924% (0.85 1.0 1.00 0.02 0.02) = 0.092% HB2 GLN 116 - HB2 PHE 97 25.000% * 0.0834% (0.77 1.0 1.00 0.02 0.02) = 0.083% HB2 GLU- 100 - HB2 PHE 97 25.000% * 0.0682% (0.63 1.0 1.00 0.02 0.02) = 0.068% Peak 1139 (5.36, 2.36, 40.60 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.43, residual support = 56.0: * O T HA PHE 97 - HB3 PHE 97 100.000% *100.0000% (0.92 10.0 10.00 3.43 55.98) = 100.000% kept Peak 1140 (2.99, 2.36, 40.60 ppm): 5 chemical-shift based assignments, quality = 0.909, support = 3.21, residual support = 54.2: * O T HB2 PHE 97 - HB3 PHE 97 20.000% * 96.1590% (0.92 10.0 10.00 3.29 55.98) = 96.159% kept QE LYS+ 106 - HB3 PHE 97 20.000% * 3.6802% (0.58 1.0 1.00 1.21 10.98) = 3.680% kept HB3 TRP 27 - HB3 PHE 97 20.000% * 0.0959% (0.92 1.0 1.00 0.02 0.02) = 0.096% HB3 PHE 60 - HB3 PHE 97 20.000% * 0.0381% (0.37 1.0 1.00 0.02 0.02) = 0.038% QE LYS+ 99 - HB3 PHE 97 20.000% * 0.0267% (0.26 1.0 1.00 0.02 0.02) = 0.027% Peak 1141 (2.36, 2.36, 40.60 ppm): 1 diagonal assignment: * HB3 PHE 97 - HB3 PHE 97 (0.85) kept Peak 1142 (5.51, 5.51, 53.84 ppm): 1 diagonal assignment: * HA LEU 98 - HA LEU 98 (1.00) kept Peak 1143 (1.41, 5.51, 53.84 ppm): 10 chemical-shift based assignments, quality = 0.807, support = 4.82, residual support = 64.3: * O T QB LEU 98 - HA LEU 98 10.000% * 96.7077% (0.81 10.0 10.00 4.97 66.48) = 96.708% kept HB2 LEU 80 - HA LEU 98 10.000% * 1.9772% (0.95 1.0 1.00 0.35 0.02) = 1.977% kept HG LEU 80 - HA LEU 98 10.000% * 0.8776% (0.35 1.0 1.00 0.42 0.02) = 0.878% HD3 LYS+ 121 - HA LEU 98 10.000% * 0.1187% (1.00 1.0 1.00 0.02 0.02) = 0.119% HB3 LYS+ 74 - HA LEU 98 10.000% * 0.1183% (1.00 1.0 1.00 0.02 0.02) = 0.118% QB ALA 12 - HA LEU 98 10.000% * 0.0578% (0.49 1.0 1.00 0.02 0.02) = 0.058% HG12 ILE 19 - HA LEU 98 10.000% * 0.0578% (0.49 1.0 1.00 0.02 0.02) = 0.058% QB ALA 110 - HA LEU 98 10.000% * 0.0471% (0.40 1.0 1.00 0.02 0.02) = 0.047% QB ALA 61 - HA LEU 98 10.000% * 0.0218% (0.18 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 33 - HA LEU 98 10.000% * 0.0161% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1144 (0.71, 5.51, 53.84 ppm): 3 chemical-shift based assignments, quality = 0.972, support = 4.89, residual support = 64.5: * T QD1 LEU 98 - HA LEU 98 33.333% * 96.5544% (1.00 10.00 4.93 66.48) = 96.554% kept QD2 LEU 104 - HA LEU 98 33.333% * 3.4220% (0.18 1.00 3.85 10.38) = 3.422% kept QG2 ILE 19 - HA LEU 98 33.333% * 0.0235% (0.24 1.00 0.02 0.02) = 0.024% Peak 1145 (0.55, 5.51, 53.84 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 3.73, residual support = 65.7: * T QD2 LEU 98 - HA LEU 98 25.000% * 98.8923% (1.00 10.00 3.77 66.48) = 98.892% kept T QD1 LEU 80 - HA LEU 98 25.000% * 0.9889% (1.00 10.00 0.02 0.02) = 0.989% QG2 VAL 41 - HA LEU 98 25.000% * 0.0913% (0.92 1.00 0.02 14.79) = 0.091% QD2 LEU 63 - HA LEU 98 25.000% * 0.0275% (0.28 1.00 0.02 0.02) = 0.027% Peak 1146 (5.51, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 4.97, residual support = 66.5: * O T HA LEU 98 - QB LEU 98 100.000% *100.0000% (0.81 10.0 10.00 4.97 66.48) = 100.000% kept Peak 1147 (1.41, 1.41, 47.50 ppm): 1 diagonal assignment: * QB LEU 98 - QB LEU 98 (0.66) kept Peak 1148 (0.71, 1.41, 47.50 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 3.44, residual support = 66.4: * O T QD1 LEU 98 - QB LEU 98 33.333% * 99.9572% (0.81 10.0 10.00 3.44 66.48) = 99.957% kept QG2 ILE 19 - QB LEU 98 33.333% * 0.0244% (0.20 1.0 1.00 0.02 0.02) = 0.024% QD2 LEU 104 - QB LEU 98 33.333% * 0.0184% (0.15 1.0 1.00 0.02 10.38) = 0.018% Peak 1149 (0.55, 1.41, 47.50 ppm): 4 chemical-shift based assignments, quality = 0.783, support = 2.22, residual support = 43.4: * O T QD2 LEU 98 - QB LEU 98 25.000% * 55.4436% (0.81 10.0 10.00 2.64 66.48) = 55.444% kept T QG2 VAL 41 - QB LEU 98 25.000% * 43.9866% (0.75 1.0 10.00 1.72 14.79) = 43.987% kept T QD1 LEU 80 - QB LEU 98 25.000% * 0.5544% (0.81 1.0 10.00 0.02 0.02) = 0.554% QD2 LEU 63 - QB LEU 98 25.000% * 0.0154% (0.23 1.0 1.00 0.02 0.02) = 0.015% Peak 1150 (5.51, 0.71, 25.69 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.93, residual support = 66.5: * T HA LEU 98 - QD1 LEU 98 100.000% *100.0000% (1.00 10.00 4.93 66.48) = 100.000% kept Peak 1151 (1.41, 0.71, 25.69 ppm): 10 chemical-shift based assignments, quality = 0.807, support = 3.39, residual support = 65.4: * O T QB LEU 98 - QD1 LEU 98 10.000% * 98.3511% (0.81 10.0 10.00 3.44 66.48) = 98.351% kept QB ALA 12 - QD1 LEU 98 10.000% * 1.1052% (0.49 1.0 1.00 0.38 0.02) = 1.105% kept HD3 LYS+ 121 - QD1 LEU 98 10.000% * 0.1207% (1.00 1.0 1.00 0.02 0.02) = 0.121% HB3 LYS+ 74 - QD1 LEU 98 10.000% * 0.1203% (1.00 1.0 1.00 0.02 0.02) = 0.120% HB2 LEU 80 - QD1 LEU 98 10.000% * 0.1147% (0.95 1.0 1.00 0.02 0.02) = 0.115% HG12 ILE 19 - QD1 LEU 98 10.000% * 0.0588% (0.49 1.0 1.00 0.02 0.02) = 0.059% QB ALA 110 - QD1 LEU 98 10.000% * 0.0479% (0.40 1.0 1.00 0.02 0.02) = 0.048% HG LEU 80 - QD1 LEU 98 10.000% * 0.0428% (0.35 1.0 1.00 0.02 0.02) = 0.043% QB ALA 61 - QD1 LEU 98 10.000% * 0.0222% (0.18 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 33 - QD1 LEU 98 10.000% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1152 (0.71, 0.71, 25.69 ppm): 1 diagonal assignment: * QD1 LEU 98 - QD1 LEU 98 (1.00) kept Peak 1153 (0.55, 0.71, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 2.4, residual support = 65.7: * O T QD2 LEU 98 - QD1 LEU 98 25.000% * 98.8923% (1.00 10.0 10.00 2.43 66.48) = 98.892% kept T QD1 LEU 80 - QD1 LEU 98 25.000% * 0.9889% (1.00 1.0 10.00 0.02 0.02) = 0.989% QG2 VAL 41 - QD1 LEU 98 25.000% * 0.0913% (0.92 1.0 1.00 0.02 14.79) = 0.091% QD2 LEU 63 - QD1 LEU 98 25.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 1154 (5.51, 0.55, 25.87 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 3.75, residual support = 66.1: * T HA LEU 98 - QD2 LEU 98 50.000% * 99.4301% (1.00 10.00 3.77 66.48) = 99.430% kept T HA LEU 98 - QD1 LEU 80 50.000% * 0.5699% (0.57 10.00 0.02 0.02) = 0.570% Peak 1155 (1.41, 0.55, 25.87 ppm): 20 chemical-shift based assignments, quality = 0.644, support = 2.93, residual support = 58.8: * O T QB LEU 98 - QD2 LEU 98 5.000% * 50.5827% (0.81 10.0 10.00 2.64 66.48) = 50.583% kept O T HB2 LEU 80 - QD1 LEU 80 5.000% * 33.8080% (0.54 10.0 10.00 3.52 54.12) = 33.808% kept O HG LEU 80 - QD1 LEU 80 5.000% * 12.6177% (0.20 10.0 1.00 3.16 54.12) = 12.618% kept T HB2 LEU 80 - QD2 LEU 98 5.000% * 2.3197% (0.95 1.0 10.00 0.08 0.02) = 2.320% kept T QB LEU 98 - QD1 LEU 80 5.000% * 0.2899% (0.47 1.0 10.00 0.02 0.02) = 0.290% HD3 LYS+ 121 - QD2 LEU 98 5.000% * 0.0621% (1.00 1.0 1.00 0.02 0.02) = 0.062% HB3 LYS+ 74 - QD2 LEU 98 5.000% * 0.0619% (1.00 1.0 1.00 0.02 0.02) = 0.062% HD3 LYS+ 121 - QD1 LEU 80 5.000% * 0.0356% (0.57 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 74 - QD1 LEU 80 5.000% * 0.0355% (0.57 1.0 1.00 0.02 0.02) = 0.035% QB ALA 12 - QD2 LEU 98 5.000% * 0.0302% (0.49 1.0 1.00 0.02 0.02) = 0.030% HG12 ILE 19 - QD2 LEU 98 5.000% * 0.0302% (0.49 1.0 1.00 0.02 0.02) = 0.030% QB ALA 110 - QD2 LEU 98 5.000% * 0.0246% (0.40 1.0 1.00 0.02 0.02) = 0.025% HG LEU 80 - QD2 LEU 98 5.000% * 0.0220% (0.35 1.0 1.00 0.02 0.02) = 0.022% QB ALA 12 - QD1 LEU 80 5.000% * 0.0173% (0.28 1.0 1.00 0.02 0.02) = 0.017% HG12 ILE 19 - QD1 LEU 80 5.000% * 0.0173% (0.28 1.0 1.00 0.02 0.02) = 0.017% QB ALA 110 - QD1 LEU 80 5.000% * 0.0141% (0.23 1.0 1.00 0.02 0.02) = 0.014% QB ALA 61 - QD2 LEU 98 5.000% * 0.0114% (0.18 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 33 - QD2 LEU 98 5.000% * 0.0084% (0.14 1.0 1.00 0.02 0.02) = 0.008% QB ALA 61 - QD1 LEU 80 5.000% * 0.0065% (0.11 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 33 - QD1 LEU 80 5.000% * 0.0048% (0.08 1.0 1.00 0.02 1.48) = 0.005% Peak 1156 (0.71, 0.55, 25.87 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 2.41, residual support = 66.1: * O T QD1 LEU 98 - QD2 LEU 98 16.667% * 99.3636% (1.00 10.0 10.00 2.43 66.48) = 99.364% kept T QD1 LEU 98 - QD1 LEU 80 16.667% * 0.5696% (0.57 1.0 10.00 0.02 0.02) = 0.570% QG2 ILE 19 - QD2 LEU 98 16.667% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% QD2 LEU 104 - QD2 LEU 98 16.667% * 0.0183% (0.18 1.0 1.00 0.02 10.38) = 0.018% QG2 ILE 19 - QD1 LEU 80 16.667% * 0.0139% (0.14 1.0 1.00 0.02 0.02) = 0.014% QD2 LEU 104 - QD1 LEU 80 16.667% * 0.0105% (0.11 1.0 1.00 0.02 0.02) = 0.010% Peak 1157 (0.55, 0.55, 25.87 ppm): 2 diagonal assignments: * QD2 LEU 98 - QD2 LEU 98 (1.00) kept QD1 LEU 80 - QD1 LEU 80 (0.57) kept Peak 1158 (4.38, 4.38, 58.15 ppm): 1 diagonal assignment: * HA LYS+ 99 - HA LYS+ 99 (1.00) kept Peak 1160 (1.24, 4.38, 58.15 ppm): 9 chemical-shift based assignments, quality = 0.905, support = 5.64, residual support = 126.2: * O T HG3 LYS+ 99 - HA LYS+ 99 11.111% * 87.8213% (1.00 10.0 10.00 6.30 143.60) = 87.821% kept T HG3 LYS+ 38 - HA LYS+ 99 11.111% * 10.9081% (0.24 1.0 10.00 1.02 0.73) = 10.908% kept QG2 THR 39 - HA LYS+ 99 11.111% * 0.7056% (0.53 1.0 1.00 0.30 0.02) = 0.706% T HG12 ILE 89 - HA LYS+ 99 11.111% * 0.2442% (0.28 1.0 10.00 0.02 0.02) = 0.244% HG2 LYS+ 74 - HA LYS+ 99 11.111% * 0.0875% (1.00 1.0 1.00 0.02 0.02) = 0.088% HG LEU 71 - HA LYS+ 99 11.111% * 0.0867% (0.99 1.0 1.00 0.02 0.02) = 0.087% HG13 ILE 19 - HA LYS+ 99 11.111% * 0.0811% (0.92 1.0 1.00 0.02 0.02) = 0.081% QB ALA 91 - HA LYS+ 99 11.111% * 0.0469% (0.53 1.0 1.00 0.02 0.02) = 0.047% HG3 LYS+ 111 - HA LYS+ 99 11.111% * 0.0187% (0.21 1.0 1.00 0.02 0.02) = 0.019% Peak 1161 (1.70, 4.38, 58.15 ppm): 9 chemical-shift based assignments, quality = 0.83, support = 5.65, residual support = 141.5: * T QD LYS+ 99 - HA LYS+ 99 11.111% * 77.0894% (1.00 1.0 10.00 5.80 143.60) = 77.089% kept O T HB3 LYS+ 99 - HA LYS+ 99 11.111% * 21.4337% (0.28 10.0 10.00 5.50 143.60) = 21.434% kept T QD LYS+ 106 - HA LYS+ 99 11.111% * 0.7684% (1.00 1.0 10.00 0.02 0.02) = 0.768% T QG1 ILE 56 - HA LYS+ 99 11.111% * 0.3057% (0.40 1.0 10.00 0.02 0.02) = 0.306% T HB2 LEU 123 - HA LYS+ 99 11.111% * 0.2143% (0.28 1.0 10.00 0.02 0.02) = 0.214% HB2 LEU 73 - HA LYS+ 99 11.111% * 0.0687% (0.89 1.0 1.00 0.02 0.02) = 0.069% HB3 MET 92 - HA LYS+ 99 11.111% * 0.0560% (0.73 1.0 1.00 0.02 0.02) = 0.056% HD2 LYS+ 111 - HA LYS+ 99 11.111% * 0.0449% (0.58 1.0 1.00 0.02 0.02) = 0.045% HG3 PRO 93 - HA LYS+ 99 11.111% * 0.0188% (0.24 1.0 1.00 0.02 0.02) = 0.019% Peak 1162 (1.33, 4.38, 58.15 ppm): 10 chemical-shift based assignments, quality = 0.983, support = 4.57, residual support = 88.3: * O T HG2 LYS+ 99 - HA LYS+ 99 10.000% * 61.2802% (1.00 10.0 10.00 6.69 143.60) = 61.280% kept T HG2 LYS+ 38 - HA LYS+ 99 10.000% * 37.3319% (0.97 1.0 10.00 1.25 0.73) = 37.332% kept QB ALA 88 - HA LYS+ 99 10.000% * 1.1820% (0.63 1.0 1.00 0.61 0.02) = 1.182% kept HG2 LYS+ 111 - HA LYS+ 99 10.000% * 0.0524% (0.85 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 31 - HA LYS+ 99 10.000% * 0.0473% (0.77 1.0 1.00 0.02 0.02) = 0.047% HB3 LEU 80 - HA LYS+ 99 10.000% * 0.0357% (0.58 1.0 1.00 0.02 0.10) = 0.036% HB2 LEU 63 - HA LYS+ 99 10.000% * 0.0270% (0.44 1.0 1.00 0.02 0.02) = 0.027% HB3 ASP- 44 - HA LYS+ 99 10.000% * 0.0193% (0.31 1.0 1.00 0.02 0.02) = 0.019% QG2 THR 77 - HA LYS+ 99 10.000% * 0.0130% (0.21 1.0 1.00 0.02 0.02) = 0.013% QB ALA 124 - HA LYS+ 99 10.000% * 0.0113% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 1163 (3.01, 4.38, 58.15 ppm): 5 chemical-shift based assignments, quality = 0.968, support = 4.76, residual support = 134.2: * T QE LYS+ 99 - HA LYS+ 99 20.000% * 93.4494% (1.00 10.00 5.08 143.60) = 93.449% kept T QE LYS+ 102 - HA LYS+ 99 20.000% * 5.6964% (0.58 10.00 0.21 0.45) = 5.696% kept T QE LYS+ 38 - HA LYS+ 99 20.000% * 0.7989% (0.85 10.00 0.02 0.73) = 0.799% HB3 TRP 27 - HA LYS+ 99 20.000% * 0.0294% (0.31 1.00 0.02 0.02) = 0.029% HB2 PHE 97 - HA LYS+ 99 20.000% * 0.0260% (0.28 1.00 0.02 0.02) = 0.026% Peak 1164 (4.38, 1.77, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 6.68, residual support = 139.7: * O T HA LYS+ 99 - HB2 LYS+ 99 16.667% * 97.2522% (1.00 10.0 10.00 6.85 143.60) = 97.252% kept HA ASP- 113 - HB2 LYS+ 99 16.667% * 2.4732% (0.77 1.0 1.00 0.66 0.02) = 2.473% kept HA ASN 35 - HB2 LYS+ 99 16.667% * 0.0924% (0.95 1.0 1.00 0.02 0.02) = 0.092% HA ILE 56 - HB2 LYS+ 99 16.667% * 0.0898% (0.92 1.0 1.00 0.02 0.02) = 0.090% HA LEU 123 - HB2 LYS+ 99 16.667% * 0.0792% (0.81 1.0 1.00 0.02 0.02) = 0.079% HA LEU 40 - HB2 LYS+ 99 16.667% * 0.0132% (0.14 1.0 1.00 0.02 4.82) = 0.013% Peak 1165 (1.77, 1.77, 37.34 ppm): 1 diagonal assignment: * HB2 LYS+ 99 - HB2 LYS+ 99 (1.00) kept Peak 1166 (1.24, 1.77, 37.34 ppm): 9 chemical-shift based assignments, quality = 0.962, support = 5.84, residual support = 136.8: * O T HG3 LYS+ 99 - HB2 LYS+ 99 11.111% * 95.2532% (1.00 10.0 10.00 6.12 143.60) = 95.253% kept T HG3 LYS+ 38 - HB2 LYS+ 99 11.111% * 3.7939% (0.24 1.0 10.00 0.33 0.73) = 3.794% kept QG2 THR 39 - HB2 LYS+ 99 11.111% * 0.3401% (0.53 1.0 1.00 0.13 0.02) = 0.340% T HG12 ILE 89 - HB2 LYS+ 99 11.111% * 0.2648% (0.28 1.0 10.00 0.02 0.02) = 0.265% HG2 LYS+ 74 - HB2 LYS+ 99 11.111% * 0.0949% (1.00 1.0 1.00 0.02 0.02) = 0.095% HG LEU 71 - HB2 LYS+ 99 11.111% * 0.0940% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG13 ILE 19 - HB2 LYS+ 99 11.111% * 0.0879% (0.92 1.0 1.00 0.02 0.02) = 0.088% QB ALA 91 - HB2 LYS+ 99 11.111% * 0.0509% (0.53 1.0 1.00 0.02 0.02) = 0.051% HG3 LYS+ 111 - HB2 LYS+ 99 11.111% * 0.0202% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 1167 (1.70, 1.77, 37.34 ppm): 9 chemical-shift based assignments, quality = 0.84, support = 4.76, residual support = 143.1: * O QD LYS+ 99 - HB2 LYS+ 99 11.111% * 77.9939% (1.00 10.0 4.59 143.60) = 77.994% kept O HB3 LYS+ 99 - HB2 LYS+ 99 11.111% * 21.6852% (0.28 10.0 5.44 143.60) = 21.685% kept QD LYS+ 106 - HB2 LYS+ 99 11.111% * 0.0777% (1.00 1.0 0.02 0.02) = 0.078% HB2 LEU 73 - HB2 LYS+ 99 11.111% * 0.0695% (0.89 1.0 0.02 0.02) = 0.070% HB3 MET 92 - HB2 LYS+ 99 11.111% * 0.0566% (0.73 1.0 0.02 0.02) = 0.057% HD2 LYS+ 111 - HB2 LYS+ 99 11.111% * 0.0454% (0.58 1.0 0.02 0.02) = 0.045% QG1 ILE 56 - HB2 LYS+ 99 11.111% * 0.0309% (0.40 1.0 0.02 0.02) = 0.031% HB2 LEU 123 - HB2 LYS+ 99 11.111% * 0.0217% (0.28 1.0 0.02 0.02) = 0.022% HG3 PRO 93 - HB2 LYS+ 99 11.111% * 0.0190% (0.24 1.0 0.02 0.02) = 0.019% Peak 1168 (1.33, 1.77, 37.34 ppm): 10 chemical-shift based assignments, quality = 0.99, support = 6.11, residual support = 137.6: * O HG2 LYS+ 99 - HB2 LYS+ 99 10.000% * 95.7915% (1.00 10.0 6.35 143.60) = 95.792% kept HG2 LYS+ 38 - HB2 LYS+ 99 10.000% * 2.3520% (0.97 1.0 0.51 0.73) = 2.352% kept QB ALA 88 - HB2 LYS+ 99 10.000% * 1.5345% (0.63 1.0 0.51 0.02) = 1.534% kept HG2 LYS+ 111 - HB2 LYS+ 99 10.000% * 0.0819% (0.85 1.0 0.02 0.02) = 0.082% HB2 LEU 31 - HB2 LYS+ 99 10.000% * 0.0739% (0.77 1.0 0.02 0.02) = 0.074% HB3 LEU 80 - HB2 LYS+ 99 10.000% * 0.0558% (0.58 1.0 0.02 0.10) = 0.056% HB2 LEU 63 - HB2 LYS+ 99 10.000% * 0.0422% (0.44 1.0 0.02 0.02) = 0.042% HB3 ASP- 44 - HB2 LYS+ 99 10.000% * 0.0302% (0.31 1.0 0.02 0.02) = 0.030% QG2 THR 77 - HB2 LYS+ 99 10.000% * 0.0204% (0.21 1.0 0.02 0.02) = 0.020% QB ALA 124 - HB2 LYS+ 99 10.000% * 0.0176% (0.18 1.0 0.02 0.02) = 0.018% Peak 1169 (3.01, 1.77, 37.34 ppm): 5 chemical-shift based assignments, quality = 0.956, support = 4.3, residual support = 122.8: * QE LYS+ 99 - HB2 LYS+ 99 20.000% * 85.4837% (1.00 4.92 143.60) = 85.484% kept QE LYS+ 102 - HB2 LYS+ 99 20.000% * 7.8587% (0.58 0.78 0.45) = 7.859% kept QE LYS+ 38 - HB2 LYS+ 99 20.000% * 6.4517% (0.85 0.43 0.73) = 6.452% kept HB3 TRP 27 - HB2 LYS+ 99 20.000% * 0.1094% (0.31 0.02 0.02) = 0.109% HB2 PHE 97 - HB2 LYS+ 99 20.000% * 0.0965% (0.28 0.02 0.02) = 0.097% Peak 1170 (4.38, 1.24, 26.01 ppm): 18 chemical-shift based assignments, quality = 0.987, support = 6.11, residual support = 139.0: * O T HA LYS+ 99 - HG3 LYS+ 99 5.556% * 96.7616% (1.00 10.0 10.00 6.30 143.60) = 96.762% kept HA ASP- 113 - HG3 LYS+ 99 5.556% * 2.4607% (0.77 1.0 1.00 0.66 0.02) = 2.461% kept T HA LYS+ 99 - HG12 ILE 89 5.556% * 0.2654% (0.27 1.0 10.00 0.02 0.02) = 0.265% HA ASN 35 - HG3 LYS+ 99 5.556% * 0.0919% (0.95 1.0 1.00 0.02 0.02) = 0.092% HA ILE 56 - HG3 LYS+ 99 5.556% * 0.0893% (0.92 1.0 1.00 0.02 0.02) = 0.089% HA LEU 123 - HG3 LYS+ 99 5.556% * 0.0788% (0.81 1.0 1.00 0.02 0.02) = 0.079% T HA LYS+ 99 - HG3 LYS+ 38 5.556% * 0.0656% (0.07 1.0 10.00 0.02 0.73) = 0.066% T HA ILE 56 - HG3 LYS+ 38 5.556% * 0.0606% (0.06 1.0 10.00 0.02 0.02) = 0.061% HA ASN 35 - HG12 ILE 89 5.556% * 0.0252% (0.26 1.0 1.00 0.02 0.02) = 0.025% HA ILE 56 - HG12 ILE 89 5.556% * 0.0245% (0.25 1.0 1.00 0.02 0.02) = 0.024% HA LEU 123 - HG12 ILE 89 5.556% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HA ASP- 113 - HG12 ILE 89 5.556% * 0.0205% (0.21 1.0 1.00 0.02 0.02) = 0.020% HA LEU 40 - HG3 LYS+ 99 5.556% * 0.0131% (0.14 1.0 1.00 0.02 4.82) = 0.013% HA ASN 35 - HG3 LYS+ 38 5.556% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA LEU 123 - HG3 LYS+ 38 5.556% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA ASP- 113 - HG3 LYS+ 38 5.556% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA LEU 40 - HG12 ILE 89 5.556% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA LEU 40 - HG3 LYS+ 38 5.556% * 0.0009% (0.01 1.0 1.00 0.02 1.47) = 0.001% Peak 1172 (1.24, 1.24, 26.01 ppm): 3 diagonal assignments: * HG3 LYS+ 99 - HG3 LYS+ 99 (1.00) kept HG12 ILE 89 - HG12 ILE 89 (0.08) kept HG3 LYS+ 38 - HG3 LYS+ 38 (0.02) kept Peak 1175 (3.01, 1.24, 26.01 ppm): 15 chemical-shift based assignments, quality = 0.893, support = 3.59, residual support = 112.1: * O T QE LYS+ 99 - HG3 LYS+ 99 6.667% * 72.3515% (1.00 10.0 10.00 4.56 143.60) = 72.352% kept T QE LYS+ 38 - HG3 LYS+ 99 6.667% * 13.0133% (0.85 1.0 10.00 0.42 0.73) = 13.013% kept T QE LYS+ 102 - HG3 LYS+ 99 6.667% * 9.6171% (0.58 1.0 10.00 0.46 0.45) = 9.617% kept O T QE LYS+ 38 - HG3 LYS+ 38 6.667% * 4.1935% (0.06 10.0 10.00 4.40 192.34) = 4.194% kept T QE LYS+ 99 - HG3 LYS+ 38 6.667% * 0.2548% (0.07 1.0 10.00 0.10 0.73) = 0.255% T QE LYS+ 99 - HG12 ILE 89 6.667% * 0.1984% (0.27 1.0 10.00 0.02 0.02) = 0.198% T QE LYS+ 38 - HG12 ILE 89 6.667% * 0.1696% (0.23 1.0 10.00 0.02 0.02) = 0.170% T QE LYS+ 102 - HG12 ILE 89 6.667% * 0.1156% (0.16 1.0 10.00 0.02 0.02) = 0.116% T QE LYS+ 102 - HG3 LYS+ 38 6.667% * 0.0286% (0.04 1.0 10.00 0.02 0.59) = 0.029% HB3 TRP 27 - HG3 LYS+ 99 6.667% * 0.0228% (0.31 1.0 1.00 0.02 0.02) = 0.023% HB2 PHE 97 - HG3 LYS+ 99 6.667% * 0.0201% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB3 TRP 27 - HG12 ILE 89 6.667% * 0.0063% (0.09 1.0 1.00 0.02 0.73) = 0.006% HB2 PHE 97 - HG12 ILE 89 6.667% * 0.0055% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 TRP 27 - HG3 LYS+ 38 6.667% * 0.0015% (0.02 1.0 1.00 0.02 3.63) = 0.002% HB2 PHE 97 - HG3 LYS+ 38 6.667% * 0.0014% (0.02 1.0 1.00 0.02 0.02) = 0.001% Peak 1176 (4.38, 1.70, 30.22 ppm): 12 chemical-shift based assignments, quality = 0.955, support = 5.45, residual support = 134.5: * T HA LYS+ 99 - QD LYS+ 99 8.333% * 93.6845% (1.00 10.00 5.80 143.60) = 93.685% kept HA ASP- 113 - QD LYS+ 99 8.333% * 2.3825% (0.77 1.00 0.66 0.02) = 2.382% kept T HA ILE 56 - QD LYS+ 99 8.333% * 0.8648% (0.92 10.00 0.02 0.02) = 0.865% T HA LEU 123 - QD LYS+ 99 8.333% * 0.7634% (0.81 10.00 0.02 0.02) = 0.763% T HA LYS+ 99 - QD LYS+ 106 8.333% * 0.7536% (0.80 10.00 0.02 0.02) = 0.754% T HA ILE 56 - QD LYS+ 106 8.333% * 0.6956% (0.74 10.00 0.02 0.02) = 0.696% T HA LEU 123 - QD LYS+ 106 8.333% * 0.6140% (0.66 10.00 0.02 0.02) = 0.614% HA ASN 35 - QD LYS+ 99 8.333% * 0.0890% (0.95 1.00 0.02 0.02) = 0.089% HA ASN 35 - QD LYS+ 106 8.333% * 0.0716% (0.76 1.00 0.02 0.02) = 0.072% HA ASP- 113 - QD LYS+ 106 8.333% * 0.0581% (0.62 1.00 0.02 0.02) = 0.058% HA LEU 40 - QD LYS+ 99 8.333% * 0.0127% (0.14 1.00 0.02 4.82) = 0.013% HA LEU 40 - QD LYS+ 106 8.333% * 0.0102% (0.11 1.00 0.02 0.02) = 0.010% Peak 1179 (1.33, 1.70, 30.22 ppm): 20 chemical-shift based assignments, quality = 0.969, support = 5.33, residual support = 137.4: * O HG2 LYS+ 99 - QD LYS+ 99 5.000% * 95.6787% (1.00 10.0 1.00 5.57 143.60) = 95.679% kept HG2 LYS+ 38 - QD LYS+ 99 5.000% * 1.2409% (0.97 1.0 1.00 0.27 0.73) = 1.241% kept QB ALA 88 - QD LYS+ 99 5.000% * 0.9716% (0.63 1.0 1.00 0.32 0.02) = 0.972% T HG2 LYS+ 111 - QD LYS+ 99 5.000% * 0.8179% (0.85 1.0 10.00 0.02 0.02) = 0.818% T HG2 LYS+ 111 - QD LYS+ 106 5.000% * 0.6579% (0.69 1.0 10.00 0.02 0.02) = 0.658% HG2 LYS+ 99 - QD LYS+ 106 5.000% * 0.0770% (0.80 1.0 1.00 0.02 0.02) = 0.077% HG2 LYS+ 38 - QD LYS+ 106 5.000% * 0.0748% (0.78 1.0 1.00 0.02 0.02) = 0.075% HB2 LEU 31 - QD LYS+ 99 5.000% * 0.0738% (0.77 1.0 1.00 0.02 0.02) = 0.074% HB2 LEU 31 - QD LYS+ 106 5.000% * 0.0594% (0.62 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 80 - QD LYS+ 99 5.000% * 0.0557% (0.58 1.0 1.00 0.02 0.10) = 0.056% QB ALA 88 - QD LYS+ 106 5.000% * 0.0485% (0.51 1.0 1.00 0.02 0.02) = 0.049% HB3 LEU 80 - QD LYS+ 106 5.000% * 0.0448% (0.47 1.0 1.00 0.02 0.02) = 0.045% HB2 LEU 63 - QD LYS+ 99 5.000% * 0.0422% (0.44 1.0 1.00 0.02 0.02) = 0.042% HB2 LEU 63 - QD LYS+ 106 5.000% * 0.0339% (0.35 1.0 1.00 0.02 0.02) = 0.034% HB3 ASP- 44 - QD LYS+ 99 5.000% * 0.0301% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB3 ASP- 44 - QD LYS+ 106 5.000% * 0.0242% (0.25 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 77 - QD LYS+ 99 5.000% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB ALA 124 - QD LYS+ 99 5.000% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% QG2 THR 77 - QD LYS+ 106 5.000% * 0.0164% (0.17 1.0 1.00 0.02 0.02) = 0.016% QB ALA 124 - QD LYS+ 106 5.000% * 0.0142% (0.15 1.0 1.00 0.02 0.02) = 0.014% Peak 1180 (1.24, 1.70, 30.22 ppm): 18 chemical-shift based assignments, quality = 0.951, support = 4.95, residual support = 136.1: * O T HG3 LYS+ 99 - QD LYS+ 99 5.556% * 94.7973% (1.00 10.0 10.00 5.22 143.60) = 94.797% kept T HG3 LYS+ 38 - QD LYS+ 99 5.556% * 1.2007% (0.24 1.0 10.00 0.10 0.73) = 1.201% kept T HG2 LYS+ 74 - QD LYS+ 99 5.556% * 0.9449% (1.00 1.0 10.00 0.02 0.02) = 0.945% T HG3 LYS+ 99 - QD LYS+ 106 5.556% * 0.7625% (0.80 1.0 10.00 0.02 0.02) = 0.763% T HG2 LYS+ 74 - QD LYS+ 106 5.556% * 0.7601% (0.80 1.0 10.00 0.02 0.02) = 0.760% T HG12 ILE 89 - QD LYS+ 99 5.556% * 0.2636% (0.28 1.0 10.00 0.02 0.02) = 0.264% T HG12 ILE 89 - QD LYS+ 106 5.556% * 0.2120% (0.22 1.0 10.00 0.02 0.02) = 0.212% T HG3 LYS+ 111 - QD LYS+ 99 5.556% * 0.2014% (0.21 1.0 10.00 0.02 0.02) = 0.201% T HG3 LYS+ 38 - QD LYS+ 106 5.556% * 0.1859% (0.20 1.0 10.00 0.02 0.02) = 0.186% T HG3 LYS+ 111 - QD LYS+ 106 5.556% * 0.1620% (0.17 1.0 10.00 0.02 0.02) = 0.162% HG LEU 71 - QD LYS+ 99 5.556% * 0.0936% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG13 ILE 19 - QD LYS+ 99 5.556% * 0.0875% (0.92 1.0 1.00 0.02 0.02) = 0.088% HG LEU 71 - QD LYS+ 106 5.556% * 0.0753% (0.79 1.0 1.00 0.02 0.02) = 0.075% HG13 ILE 19 - QD LYS+ 106 5.556% * 0.0704% (0.74 1.0 1.00 0.02 0.02) = 0.070% QG2 THR 39 - QD LYS+ 99 5.556% * 0.0506% (0.53 1.0 1.00 0.02 0.02) = 0.051% QB ALA 91 - QD LYS+ 99 5.556% * 0.0506% (0.53 1.0 1.00 0.02 0.02) = 0.051% QG2 THR 39 - QD LYS+ 106 5.556% * 0.0407% (0.43 1.0 1.00 0.02 0.02) = 0.041% QB ALA 91 - QD LYS+ 106 5.556% * 0.0407% (0.43 1.0 1.00 0.02 0.02) = 0.041% Peak 1181 (3.01, 1.70, 30.22 ppm): 10 chemical-shift based assignments, quality = 0.932, support = 3.15, residual support = 113.5: * O T QE LYS+ 99 - QD LYS+ 99 10.000% * 78.8699% (1.00 10.0 10.00 3.91 143.60) = 78.870% kept T QE LYS+ 38 - QD LYS+ 99 10.000% * 9.1040% (0.85 1.0 10.00 0.27 0.73) = 9.104% kept T QE LYS+ 102 - QD LYS+ 99 10.000% * 6.7281% (0.58 1.0 10.00 0.29 0.45) = 6.728% kept T QE LYS+ 99 - QD LYS+ 106 10.000% * 2.9114% (0.80 1.0 10.00 0.09 0.02) = 2.911% kept HB2 PHE 97 - QD LYS+ 106 10.000% * 1.4082% (0.22 1.0 1.00 1.60 10.98) = 1.408% kept T QE LYS+ 38 - QD LYS+ 106 10.000% * 0.5423% (0.69 1.0 10.00 0.02 0.02) = 0.542% T QE LYS+ 102 - QD LYS+ 106 10.000% * 0.3694% (0.47 1.0 10.00 0.02 0.02) = 0.369% HB3 TRP 27 - QD LYS+ 99 10.000% * 0.0248% (0.31 1.0 1.00 0.02 0.02) = 0.025% HB2 PHE 97 - QD LYS+ 99 10.000% * 0.0219% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 TRP 27 - QD LYS+ 106 10.000% * 0.0200% (0.25 1.0 1.00 0.02 0.02) = 0.020% Peak 1188 (4.38, 3.01, 42.52 ppm): 18 chemical-shift based assignments, quality = 0.953, support = 4.69, residual support = 132.3: * T HA LYS+ 99 - QE LYS+ 99 5.556% * 92.0834% (1.00 10.00 5.08 143.60) = 92.083% kept T HA LYS+ 99 - QE LYS+ 102 5.556% * 5.5728% (0.58 10.00 0.21 0.45) = 5.573% kept HA ASP- 113 - QE LYS+ 99 5.556% * 0.7405% (0.77 1.00 0.21 0.02) = 0.741% HA LEU 40 - QE LYS+ 99 5.556% * 0.6286% (0.14 1.00 1.01 4.82) = 0.629% HA ASN 35 - QE LYS+ 102 5.556% * 0.2644% (0.55 1.00 0.10 0.11) = 0.264% T HA LYS+ 99 - QE LYS+ 38 5.556% * 0.2368% (0.26 10.00 0.02 0.73) = 0.237% HA ASN 35 - QE LYS+ 99 5.556% * 0.0875% (0.95 1.00 0.02 0.02) = 0.087% HA ILE 56 - QE LYS+ 99 5.556% * 0.0850% (0.92 1.00 0.02 0.02) = 0.085% HA LEU 123 - QE LYS+ 99 5.556% * 0.0750% (0.81 1.00 0.02 0.02) = 0.075% HA ILE 56 - QE LYS+ 102 5.556% * 0.0491% (0.53 1.00 0.02 0.02) = 0.049% HA LEU 123 - QE LYS+ 102 5.556% * 0.0434% (0.47 1.00 0.02 0.02) = 0.043% HA ASP- 113 - QE LYS+ 102 5.556% * 0.0411% (0.45 1.00 0.02 0.02) = 0.041% HA ASN 35 - QE LYS+ 38 5.556% * 0.0225% (0.24 1.00 0.02 0.02) = 0.022% HA ILE 56 - QE LYS+ 38 5.556% * 0.0219% (0.24 1.00 0.02 0.02) = 0.022% HA LEU 123 - QE LYS+ 38 5.556% * 0.0193% (0.21 1.00 0.02 0.02) = 0.019% HA ASP- 113 - QE LYS+ 38 5.556% * 0.0183% (0.20 1.00 0.02 0.02) = 0.018% HA LEU 40 - QE LYS+ 102 5.556% * 0.0072% (0.08 1.00 0.02 0.02) = 0.007% HA LEU 40 - QE LYS+ 38 5.556% * 0.0032% (0.03 1.00 0.02 1.47) = 0.003% Peak 1189 (1.72, 3.01, 42.52 ppm): 15 chemical-shift based assignments, quality = 0.599, support = 4.14, residual support = 135.5: O T QD LYS+ 99 - QE LYS+ 99 6.667% * 50.2206% (0.28 10.0 10.00 3.91 143.60) = 50.221% kept HB3 LYS+ 99 - QE LYS+ 99 6.667% * 44.1219% (1.00 1.0 1.00 4.89 143.60) = 44.122% kept HB3 LYS+ 99 - QE LYS+ 102 6.667% * 3.1131% (0.58 1.0 1.00 0.60 0.45) = 3.113% kept HB3 LYS+ 99 - QE LYS+ 38 6.667% * 0.7695% (0.26 1.0 1.00 0.33 0.73) = 0.769% T QD LYS+ 106 - QE LYS+ 99 6.667% * 0.4405% (0.24 1.0 10.00 0.02 0.02) = 0.440% T QD LYS+ 99 - QE LYS+ 102 6.667% * 0.2903% (0.16 1.0 10.00 0.02 0.45) = 0.290% T QD LYS+ 106 - QE LYS+ 102 6.667% * 0.2546% (0.14 1.0 10.00 0.02 0.02) = 0.255% QG1 ILE 56 - QE LYS+ 99 6.667% * 0.1755% (0.97 1.0 1.00 0.02 0.02) = 0.175% T QD LYS+ 99 - QE LYS+ 38 6.667% * 0.1291% (0.07 1.0 10.00 0.02 0.73) = 0.129% HB ILE 89 - QE LYS+ 99 6.667% * 0.1226% (0.68 1.0 1.00 0.02 0.02) = 0.123% T QD LYS+ 106 - QE LYS+ 38 6.667% * 0.1133% (0.06 1.0 10.00 0.02 0.02) = 0.113% QG1 ILE 56 - QE LYS+ 102 6.667% * 0.1015% (0.56 1.0 1.00 0.02 0.02) = 0.101% HB ILE 89 - QE LYS+ 102 6.667% * 0.0709% (0.39 1.0 1.00 0.02 0.02) = 0.071% QG1 ILE 56 - QE LYS+ 38 6.667% * 0.0451% (0.25 1.0 1.00 0.02 0.02) = 0.045% HB ILE 89 - QE LYS+ 38 6.667% * 0.0315% (0.17 1.0 1.00 0.02 0.02) = 0.032% Peak 1190 (1.24, 3.01, 42.52 ppm): 27 chemical-shift based assignments, quality = 0.862, support = 3.86, residual support = 121.9: * O T HG3 LYS+ 99 - QE LYS+ 99 3.704% * 78.2587% (1.00 10.0 10.00 4.56 143.60) = 78.259% kept T HG3 LYS+ 99 - QE LYS+ 102 3.704% * 10.3277% (0.58 1.0 10.00 0.46 0.45) = 10.328% kept O T HG3 LYS+ 38 - QE LYS+ 38 3.704% * 4.9075% (0.06 10.0 10.00 4.40 192.34) = 4.908% kept T HG3 LYS+ 99 - QE LYS+ 38 3.704% * 4.2342% (0.26 1.0 10.00 0.42 0.73) = 4.234% kept QG2 THR 39 - QE LYS+ 99 3.704% * 1.0116% (0.53 1.0 1.00 0.48 0.02) = 1.012% kept T HG12 ILE 89 - QE LYS+ 99 3.704% * 0.2176% (0.28 1.0 10.00 0.02 0.02) = 0.218% T HG3 LYS+ 38 - QE LYS+ 99 3.704% * 0.1908% (0.24 1.0 10.00 0.02 0.73) = 0.191% T HG12 ILE 89 - QE LYS+ 102 3.704% * 0.1258% (0.16 1.0 10.00 0.02 0.02) = 0.126% T HG3 LYS+ 38 - QE LYS+ 102 3.704% * 0.1103% (0.14 1.0 10.00 0.02 0.59) = 0.110% HG2 LYS+ 74 - QE LYS+ 99 3.704% * 0.0780% (1.00 1.0 1.00 0.02 0.02) = 0.078% HG LEU 71 - QE LYS+ 99 3.704% * 0.0773% (0.99 1.0 1.00 0.02 0.02) = 0.077% HG13 ILE 19 - QE LYS+ 99 3.704% * 0.0722% (0.92 1.0 1.00 0.02 0.02) = 0.072% T HG12 ILE 89 - QE LYS+ 38 3.704% * 0.0560% (0.07 1.0 10.00 0.02 0.02) = 0.056% HG2 LYS+ 74 - QE LYS+ 102 3.704% * 0.0451% (0.58 1.0 1.00 0.02 0.02) = 0.045% HG LEU 71 - QE LYS+ 102 3.704% * 0.0447% (0.57 1.0 1.00 0.02 0.02) = 0.045% QB ALA 91 - QE LYS+ 99 3.704% * 0.0418% (0.53 1.0 1.00 0.02 0.02) = 0.042% HG13 ILE 19 - QE LYS+ 102 3.704% * 0.0418% (0.53 1.0 1.00 0.02 3.31) = 0.042% QB ALA 91 - QE LYS+ 102 3.704% * 0.0242% (0.31 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 39 - QE LYS+ 102 3.704% * 0.0242% (0.31 1.0 1.00 0.02 0.02) = 0.024% HG2 LYS+ 74 - QE LYS+ 38 3.704% * 0.0201% (0.26 1.0 1.00 0.02 0.02) = 0.020% HG LEU 71 - QE LYS+ 38 3.704% * 0.0199% (0.25 1.0 1.00 0.02 0.02) = 0.020% HG13 ILE 19 - QE LYS+ 38 3.704% * 0.0186% (0.24 1.0 1.00 0.02 0.02) = 0.019% HG3 LYS+ 111 - QE LYS+ 99 3.704% * 0.0166% (0.21 1.0 1.00 0.02 0.02) = 0.017% QG2 THR 39 - QE LYS+ 38 3.704% * 0.0107% (0.14 1.0 1.00 0.02 21.30) = 0.011% QB ALA 91 - QE LYS+ 38 3.704% * 0.0107% (0.14 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 111 - QE LYS+ 102 3.704% * 0.0096% (0.12 1.0 1.00 0.02 0.02) = 0.010% HG3 LYS+ 111 - QE LYS+ 38 3.704% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 1193 (3.01, 3.01, 42.52 ppm): 3 diagonal assignments: * QE LYS+ 99 - QE LYS+ 99 (1.00) kept QE LYS+ 102 - QE LYS+ 102 (0.34) kept QE LYS+ 38 - QE LYS+ 38 (0.22) kept Peak 1194 (3.81, 3.81, 57.72 ppm): 1 diagonal assignment: * HA GLU- 100 - HA GLU- 100 (1.00) kept Peak 1195 (2.37, 3.81, 57.72 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 4.24, residual support = 71.8: * O T HB2 GLU- 100 - HA GLU- 100 16.667% * 99.4455% (1.00 10.0 10.00 4.26 72.25) = 99.446% kept T HB2 PRO 58 - HA GLU- 100 16.667% * 0.3132% (0.31 1.0 10.00 0.02 0.02) = 0.313% HB2 GLN 116 - HA GLU- 100 16.667% * 0.0966% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB3 PHE 97 - HA GLU- 100 16.667% * 0.0850% (0.85 1.0 1.00 0.02 0.02) = 0.085% QG GLU- 79 - HA GLU- 100 16.667% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QG GLN 32 - HA GLU- 100 16.667% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1196 (2.04, 3.81, 57.72 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 4.24, residual support = 71.9: * O T HB3 GLU- 100 - HA GLU- 100 11.111% * 99.4668% (1.00 10.0 10.00 4.26 72.25) = 99.467% kept HB ILE 119 - HA GLU- 100 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HA GLU- 100 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 30 - HA GLU- 100 11.111% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB VAL 108 - HA GLU- 100 11.111% * 0.0810% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 ARG+ 54 - HA GLU- 100 11.111% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 PRO 68 - HA GLU- 100 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 93 - HA GLU- 100 11.111% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 111 - HA GLU- 100 11.111% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1197 (2.23, 3.81, 57.72 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 4.6, residual support = 72.0: * O T HG2 GLU- 100 - HA GLU- 100 12.500% * 99.6661% (1.00 10.0 10.00 4.61 72.25) = 99.666% kept HB3 ASP- 76 - HA GLU- 100 12.500% * 0.0984% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HA GLU- 100 12.500% * 0.0812% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 MET 96 - HA GLU- 100 12.500% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG3 MET 92 - HA GLU- 100 12.500% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 29 - HA GLU- 100 12.500% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB VAL 70 - HA GLU- 100 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% QG GLN 17 - HA GLU- 100 12.500% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1198 (3.81, 2.37, 29.04 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 4.22, residual support = 71.5: * O T HA GLU- 100 - HB2 GLU- 100 25.000% * 98.9129% (1.00 10.0 10.00 4.26 72.25) = 98.913% kept T HD2 PRO 58 - HB2 GLU- 100 25.000% * 0.9610% (0.97 1.0 10.00 0.02 0.02) = 0.961% HA VAL 83 - HB2 GLU- 100 25.000% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB2 CYS 53 - HB2 GLU- 100 25.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1199 (2.37, 2.37, 29.04 ppm): 1 diagonal assignment: * HB2 GLU- 100 - HB2 GLU- 100 (1.00) kept Peak 1200 (2.04, 2.37, 29.04 ppm): 9 chemical-shift based assignments, quality = 0.995, support = 1.99, residual support = 71.9: * O T HB3 GLU- 100 - HB2 GLU- 100 11.111% * 99.4668% (1.00 10.0 10.00 2.00 72.25) = 99.467% kept HB ILE 119 - HB2 GLU- 100 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HB2 GLU- 100 11.111% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 30 - HB2 GLU- 100 11.111% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB VAL 108 - HB2 GLU- 100 11.111% * 0.0810% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 ARG+ 54 - HB2 GLU- 100 11.111% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 PRO 68 - HB2 GLU- 100 11.111% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 93 - HB2 GLU- 100 11.111% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 111 - HB2 GLU- 100 11.111% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1201 (2.23, 2.37, 29.04 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 3.14, residual support = 72.0: * O T HG2 GLU- 100 - HB2 GLU- 100 12.500% * 99.6661% (1.00 10.0 10.00 3.15 72.25) = 99.666% kept HB3 ASP- 76 - HB2 GLU- 100 12.500% * 0.0984% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HB2 GLU- 100 12.500% * 0.0812% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 MET 96 - HB2 GLU- 100 12.500% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG3 MET 92 - HB2 GLU- 100 12.500% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 29 - HB2 GLU- 100 12.500% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB VAL 70 - HB2 GLU- 100 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% QG GLN 17 - HB2 GLU- 100 12.500% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1202 (3.81, 2.04, 29.04 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.25, residual support = 72.1: * O T HA GLU- 100 - HB3 GLU- 100 25.000% * 99.7759% (1.00 10.0 10.00 4.26 72.25) = 99.776% kept HA VAL 83 - HB3 GLU- 100 25.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - HB3 GLU- 100 25.000% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB2 CYS 53 - HB3 GLU- 100 25.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1203 (2.37, 2.04, 29.04 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 1.99, residual support = 72.0: * O T HB2 GLU- 100 - HB3 GLU- 100 16.667% * 99.7267% (1.00 10.0 10.00 2.00 72.25) = 99.727% kept HB2 GLN 116 - HB3 GLU- 100 16.667% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB3 PHE 97 - HB3 GLU- 100 16.667% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% QG GLU- 79 - HB3 GLU- 100 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 58 - HB3 GLU- 100 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% QG GLN 32 - HB3 GLU- 100 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1204 (2.04, 2.04, 29.04 ppm): 1 diagonal assignment: * HB3 GLU- 100 - HB3 GLU- 100 (1.00) kept Peak 1205 (2.23, 2.04, 29.04 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 3.14, residual support = 72.0: * O T HG2 GLU- 100 - HB3 GLU- 100 12.500% * 99.6661% (1.00 10.0 10.00 3.15 72.25) = 99.666% kept HB3 ASP- 76 - HB3 GLU- 100 12.500% * 0.0984% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HB3 GLU- 100 12.500% * 0.0812% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 MET 96 - HB3 GLU- 100 12.500% * 0.0629% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG3 MET 92 - HB3 GLU- 100 12.500% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 GLU- 29 - HB3 GLU- 100 12.500% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB VAL 70 - HB3 GLU- 100 12.500% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% QG GLN 17 - HB3 GLU- 100 12.500% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1206 (3.81, 2.23, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.6, residual support = 72.1: * O T HA GLU- 100 - HG2 GLU- 100 25.000% * 99.7759% (1.00 10.0 10.00 4.61 72.25) = 99.776% kept HA VAL 83 - HG2 GLU- 100 25.000% * 0.0995% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - HG2 GLU- 100 25.000% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB2 CYS 53 - HG2 GLU- 100 25.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1207 (2.37, 2.23, 38.95 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.14, residual support = 72.0: * O T HB2 GLU- 100 - HG2 GLU- 100 16.667% * 99.7267% (1.00 10.0 10.00 3.15 72.25) = 99.727% kept HB2 GLN 116 - HG2 GLU- 100 16.667% * 0.0969% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB3 PHE 97 - HG2 GLU- 100 16.667% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% QG GLU- 79 - HG2 GLU- 100 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PRO 58 - HG2 GLU- 100 16.667% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% QG GLN 32 - HG2 GLU- 100 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1208 (2.04, 2.23, 38.95 ppm): 9 chemical-shift based assignments, quality = 0.991, support = 3.12, residual support = 71.6: * O T HB3 GLU- 100 - HG2 GLU- 100 11.111% * 99.0759% (1.00 10.0 10.00 3.15 72.25) = 99.076% kept T HB3 PRO 68 - HG2 GLU- 100 11.111% * 0.4367% (0.44 1.0 10.00 0.02 0.02) = 0.437% HB ILE 119 - HG2 GLU- 100 11.111% * 0.0978% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HG2 GLU- 100 11.111% * 0.0978% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 30 - HG2 GLU- 100 11.111% * 0.0883% (0.89 1.0 1.00 0.02 0.02) = 0.088% HB VAL 108 - HG2 GLU- 100 11.111% * 0.0807% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 ARG+ 54 - HG2 GLU- 100 11.111% * 0.0719% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 PRO 93 - HG2 GLU- 100 11.111% * 0.0351% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 111 - HG2 GLU- 100 11.111% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1209 (2.23, 2.23, 38.95 ppm): 1 diagonal assignment: * HG2 GLU- 100 - HG2 GLU- 100 (1.00) kept Peak 1210 (4.14, 4.14, 45.70 ppm): 1 diagonal assignment: * HA1 GLY 101 - HA1 GLY 101 (1.00) kept Peak 1211 (3.52, 4.14, 45.70 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 1.93, residual support = 11.8: * O T HA2 GLY 101 - HA1 GLY 101 50.000% * 99.9756% (1.00 10.0 10.00 1.93 11.83) = 99.976% kept HA LEU 63 - HA1 GLY 101 50.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1212 (4.14, 3.52, 45.70 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 1.93, residual support = 11.8: * O T HA1 GLY 101 - HA2 GLY 101 14.286% * 99.5905% (1.00 10.0 10.00 1.93 11.83) = 99.591% kept HA GLU- 114 - HA2 GLY 101 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HA ALA 34 - HA2 GLY 101 14.286% * 0.0919% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA LEU 115 - HA2 GLY 101 14.286% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% HA ASN 28 - HA2 GLY 101 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA THR 26 - HA2 GLY 101 14.286% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ARG+ 54 - HA2 GLY 101 14.286% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1213 (3.52, 3.52, 45.70 ppm): 1 diagonal assignment: * HA2 GLY 101 - HA2 GLY 101 (1.00) kept Peak 1214 (4.60, 4.60, 54.68 ppm): 1 diagonal assignment: * HA LYS+ 102 - HA LYS+ 102 (1.00) kept Peak 1215 (1.81, 4.60, 54.68 ppm): 8 chemical-shift based assignments, quality = 0.954, support = 6.17, residual support = 120.8: * O T QB LYS+ 102 - HA LYS+ 102 12.500% * 94.3156% (1.00 10.0 10.00 6.28 126.90) = 94.316% kept HG12 ILE 103 - HA LYS+ 102 12.500% * 4.9964% (0.21 1.0 1.00 4.99 21.70) = 4.996% kept T HB VAL 41 - HA LYS+ 102 12.500% * 0.3344% (0.35 1.0 10.00 0.02 0.02) = 0.334% QB LYS+ 65 - HA LYS+ 102 12.500% * 0.0916% (0.97 1.0 1.00 0.02 0.02) = 0.092% HB2 LEU 71 - HA LYS+ 102 12.500% * 0.0896% (0.95 1.0 1.00 0.02 0.02) = 0.090% HG2 PRO 93 - HA LYS+ 102 12.500% * 0.0841% (0.89 1.0 1.00 0.02 0.02) = 0.084% QB LYS+ 66 - HA LYS+ 102 12.500% * 0.0549% (0.58 1.0 1.00 0.02 0.02) = 0.055% HB3 GLN 17 - HA LYS+ 102 12.500% * 0.0334% (0.35 1.0 1.00 0.02 0.02) = 0.033% Peak 1216 (1.45, 4.60, 54.68 ppm): 11 chemical-shift based assignments, quality = 0.995, support = 5.69, residual support = 126.2: * O T HG2 LYS+ 102 - HA LYS+ 102 9.091% * 99.4697% (1.00 10.0 10.00 5.72 126.90) = 99.470% kept HG LEU 73 - HA LYS+ 102 9.091% * 0.0966% (0.97 1.0 1.00 0.02 0.02) = 0.097% QG LYS+ 66 - HA LYS+ 102 9.091% * 0.0810% (0.81 1.0 1.00 0.02 0.02) = 0.081% HG LEU 40 - HA LYS+ 102 9.091% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 LEU 115 - HA LYS+ 102 9.091% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 LEU 67 - HA LYS+ 102 9.091% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG LEU 67 - HA LYS+ 102 9.091% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% QB ALA 61 - HA LYS+ 102 9.091% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.039% HG LEU 80 - HA LYS+ 102 9.091% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% QB ALA 110 - HA LYS+ 102 9.091% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG12 ILE 19 - HA LYS+ 102 9.091% * 0.0135% (0.14 1.0 1.00 0.02 3.31) = 0.013% Peak 1217 (1.38, 4.60, 54.68 ppm): 12 chemical-shift based assignments, quality = 0.969, support = 4.56, residual support = 122.9: * O T HG3 LYS+ 102 - HA LYS+ 102 8.333% * 96.8510% (1.00 10.0 10.00 4.71 126.90) = 96.851% kept T HG3 LYS+ 65 - HA LYS+ 102 8.333% * 0.9410% (0.97 1.0 10.00 0.02 0.02) = 0.941% T HG3 LYS+ 106 - HA LYS+ 102 8.333% * 0.8940% (0.92 1.0 10.00 0.02 0.02) = 0.894% T HG3 LYS+ 33 - HA LYS+ 102 8.333% * 0.8940% (0.92 1.0 10.00 0.02 0.02) = 0.894% HB3 LEU 73 - HA LYS+ 102 8.333% * 0.0965% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 LYS+ 112 - HA LYS+ 102 8.333% * 0.0956% (0.99 1.0 1.00 0.02 0.02) = 0.096% HB VAL 42 - HA LYS+ 102 8.333% * 0.0941% (0.97 1.0 1.00 0.02 0.02) = 0.094% QB ALA 12 - HA LYS+ 102 8.333% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB3 PRO 93 - HA LYS+ 102 8.333% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 84 - HA LYS+ 102 8.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QB LEU 98 - HA LYS+ 102 8.333% * 0.0206% (0.21 1.0 1.00 0.02 0.17) = 0.021% HG LEU 98 - HA LYS+ 102 8.333% * 0.0153% (0.16 1.0 1.00 0.02 0.17) = 0.015% Peak 1218 (1.68, 4.60, 54.68 ppm): 10 chemical-shift based assignments, quality = 0.984, support = 4.6, residual support = 123.8: * T QD LYS+ 102 - HA LYS+ 102 10.000% * 97.5177% (1.00 10.00 4.71 126.90) = 97.518% kept QD LYS+ 38 - HA LYS+ 102 10.000% * 1.1468% (0.73 1.00 0.32 0.59) = 1.147% kept T HD2 LYS+ 111 - HA LYS+ 102 10.000% * 0.5678% (0.58 10.00 0.02 0.02) = 0.568% T QD LYS+ 65 - HA LYS+ 102 10.000% * 0.4298% (0.44 10.00 0.02 0.02) = 0.430% HG3 PRO 93 - HA LYS+ 102 10.000% * 0.0900% (0.92 1.00 0.02 0.02) = 0.090% HB2 LEU 123 - HA LYS+ 102 10.000% * 0.0869% (0.89 1.00 0.02 0.02) = 0.087% HB VAL 83 - HA LYS+ 102 10.000% * 0.0521% (0.53 1.00 0.02 0.02) = 0.052% HB3 MET 92 - HA LYS+ 102 10.000% * 0.0430% (0.44 1.00 0.02 0.02) = 0.043% HB2 LYS+ 121 - HA LYS+ 102 10.000% * 0.0387% (0.40 1.00 0.02 0.02) = 0.039% HB2 LEU 73 - HA LYS+ 102 10.000% * 0.0271% (0.28 1.00 0.02 0.02) = 0.027% Peak 1219 (3.02, 4.60, 54.68 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 3.65, residual support = 95.5: * T QE LYS+ 102 - HA LYS+ 102 33.333% * 75.1807% (1.00 10.00 4.71 126.90) = 75.181% kept T QE LYS+ 38 - HA LYS+ 102 33.333% * 14.4538% (0.89 10.00 0.43 0.59) = 14.454% kept T QE LYS+ 99 - HA LYS+ 102 33.333% * 10.3655% (0.58 10.00 0.47 0.45) = 10.365% kept Peak 1220 (4.60, 1.81, 34.65 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 6.24, residual support = 126.2: * O T HA LYS+ 102 - QB LYS+ 102 10.000% * 99.4139% (1.00 10.0 10.00 6.28 126.90) = 99.414% kept T HA LYS+ 102 - HB VAL 41 10.000% * 0.3254% (0.33 1.0 10.00 0.02 0.02) = 0.325% HA CYS 21 - QB LYS+ 102 10.000% * 0.0767% (0.77 1.0 1.00 0.02 0.13) = 0.077% HA TRP 49 - QB LYS+ 102 10.000% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA1 GLY 109 - QB LYS+ 102 10.000% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA CYS 50 - QB LYS+ 102 10.000% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA CYS 21 - HB VAL 41 10.000% * 0.0251% (0.25 1.0 1.00 0.02 0.73) = 0.025% HA TRP 49 - HB VAL 41 10.000% * 0.0174% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA1 GLY 109 - HB VAL 41 10.000% * 0.0115% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA CYS 50 - HB VAL 41 10.000% * 0.0103% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 1221 (1.81, 1.81, 34.65 ppm): 2 diagonal assignments: * QB LYS+ 102 - QB LYS+ 102 (1.00) kept HB VAL 41 - HB VAL 41 (0.12) kept Peak 1222 (1.45, 1.81, 34.65 ppm): 22 chemical-shift based assignments, quality = 0.921, support = 4.88, residual support = 114.7: * O T HG2 LYS+ 102 - QB LYS+ 102 4.545% * 90.1623% (1.00 10.0 10.00 5.29 126.90) = 90.162% kept T QG LYS+ 66 - HB VAL 41 4.545% * 4.4544% (0.27 1.0 10.00 0.37 0.54) = 4.454% kept HG LEU 40 - HB VAL 41 4.545% * 3.2072% (0.24 1.0 1.00 2.99 9.26) = 3.207% kept T QG LYS+ 66 - QB LYS+ 102 4.545% * 0.7347% (0.81 1.0 10.00 0.02 0.02) = 0.735% T HG LEU 67 - QB LYS+ 102 4.545% * 0.5250% (0.58 1.0 10.00 0.02 0.02) = 0.525% T HG2 LYS+ 102 - HB VAL 41 4.545% * 0.2951% (0.33 1.0 10.00 0.02 0.02) = 0.295% T HG LEU 67 - HB VAL 41 4.545% * 0.1718% (0.19 1.0 10.00 0.02 0.02) = 0.172% HG LEU 73 - QB LYS+ 102 4.545% * 0.0876% (0.97 1.0 1.00 0.02 0.02) = 0.088% HB3 LEU 115 - QB LYS+ 102 4.545% * 0.0655% (0.73 1.0 1.00 0.02 0.02) = 0.065% HG LEU 40 - QB LYS+ 102 4.545% * 0.0655% (0.73 1.0 1.00 0.02 0.02) = 0.065% HB3 LEU 67 - QB LYS+ 102 4.545% * 0.0525% (0.58 1.0 1.00 0.02 0.02) = 0.052% QB ALA 61 - QB LYS+ 102 4.545% * 0.0358% (0.40 1.0 1.00 0.02 0.02) = 0.036% HG LEU 73 - HB VAL 41 4.545% * 0.0287% (0.32 1.0 1.00 0.02 0.02) = 0.029% HB3 LEU 115 - HB VAL 41 4.545% * 0.0214% (0.24 1.0 1.00 0.02 0.02) = 0.021% HG LEU 80 - QB LYS+ 102 4.545% * 0.0192% (0.21 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 67 - HB VAL 41 4.545% * 0.0172% (0.19 1.0 1.00 0.02 0.02) = 0.017% QB ALA 110 - QB LYS+ 102 4.545% * 0.0166% (0.18 1.0 1.00 0.02 0.02) = 0.017% HG12 ILE 19 - QB LYS+ 102 4.545% * 0.0122% (0.14 1.0 1.00 0.02 3.31) = 0.012% QB ALA 61 - HB VAL 41 4.545% * 0.0117% (0.13 1.0 1.00 0.02 0.76) = 0.012% HG LEU 80 - HB VAL 41 4.545% * 0.0063% (0.07 1.0 1.00 0.02 0.58) = 0.006% QB ALA 110 - HB VAL 41 4.545% * 0.0054% (0.06 1.0 1.00 0.02 0.02) = 0.005% HG12 ILE 19 - HB VAL 41 4.545% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1223 (1.38, 1.81, 34.65 ppm): 24 chemical-shift based assignments, quality = 0.758, support = 4.12, residual support = 90.7: * O T HG3 LYS+ 102 - QB LYS+ 102 4.167% * 67.9947% (1.00 10.0 10.00 4.71 126.90) = 67.995% kept T HB VAL 42 - HB VAL 41 4.167% * 21.6246% (0.32 1.0 10.00 3.89 17.35) = 21.625% kept T QB LEU 98 - HB VAL 41 4.167% * 4.1792% (0.07 1.0 10.00 1.77 14.79) = 4.179% kept T HG3 LYS+ 65 - HB VAL 41 4.167% * 1.8906% (0.32 1.0 10.00 0.17 0.02) = 1.891% kept T HB2 LYS+ 112 - QB LYS+ 102 4.167% * 0.6713% (0.99 1.0 10.00 0.02 0.02) = 0.671% T HG3 LYS+ 65 - QB LYS+ 102 4.167% * 0.6606% (0.97 1.0 10.00 0.02 0.02) = 0.661% T HB VAL 42 - QB LYS+ 102 4.167% * 0.6606% (0.97 1.0 10.00 0.02 0.02) = 0.661% T HG3 LYS+ 106 - QB LYS+ 102 4.167% * 0.6277% (0.92 1.0 10.00 0.02 0.02) = 0.628% T HG3 LYS+ 33 - QB LYS+ 102 4.167% * 0.6277% (0.92 1.0 10.00 0.02 0.02) = 0.628% T HG3 LYS+ 102 - HB VAL 41 4.167% * 0.2226% (0.33 1.0 10.00 0.02 0.02) = 0.223% T HB2 LYS+ 112 - HB VAL 41 4.167% * 0.2197% (0.32 1.0 10.00 0.02 0.02) = 0.220% T HG3 LYS+ 106 - HB VAL 41 4.167% * 0.2055% (0.30 1.0 10.00 0.02 0.33) = 0.205% T HG3 LYS+ 33 - HB VAL 41 4.167% * 0.2055% (0.30 1.0 10.00 0.02 0.02) = 0.205% HB3 LEU 73 - QB LYS+ 102 4.167% * 0.0678% (1.00 1.0 1.00 0.02 0.02) = 0.068% QB ALA 12 - QB LYS+ 102 4.167% * 0.0331% (0.49 1.0 1.00 0.02 0.02) = 0.033% HB3 LEU 73 - HB VAL 41 4.167% * 0.0222% (0.33 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - QB LYS+ 102 4.167% * 0.0189% (0.28 1.0 1.00 0.02 0.02) = 0.019% QB ALA 84 - QB LYS+ 102 4.167% * 0.0166% (0.24 1.0 1.00 0.02 0.02) = 0.017% QB LEU 98 - QB LYS+ 102 4.167% * 0.0144% (0.21 1.0 1.00 0.02 0.17) = 0.014% QB ALA 12 - HB VAL 41 4.167% * 0.0108% (0.16 1.0 1.00 0.02 0.02) = 0.011% HG LEU 98 - QB LYS+ 102 4.167% * 0.0108% (0.16 1.0 1.00 0.02 0.17) = 0.011% HB3 PRO 93 - HB VAL 41 4.167% * 0.0062% (0.09 1.0 1.00 0.02 0.02) = 0.006% QB ALA 84 - HB VAL 41 4.167% * 0.0054% (0.08 1.0 1.00 0.02 0.02) = 0.005% HG LEU 98 - HB VAL 41 4.167% * 0.0035% (0.05 1.0 1.00 0.02 14.79) = 0.004% Peak 1224 (1.68, 1.81, 34.65 ppm): 20 chemical-shift based assignments, quality = 0.949, support = 4.46, residual support = 120.2: * O T QD LYS+ 102 - QB LYS+ 102 5.000% * 94.7048% (1.00 10.0 10.00 4.71 126.90) = 94.705% kept T QD LYS+ 65 - HB VAL 41 5.000% * 1.1946% (0.14 1.0 10.00 0.17 0.02) = 1.195% kept T HG3 PRO 93 - QB LYS+ 102 5.000% * 0.8742% (0.92 1.0 10.00 0.02 0.02) = 0.874% T QD LYS+ 38 - QB LYS+ 102 5.000% * 0.6877% (0.73 1.0 10.00 0.02 0.59) = 0.688% T HD2 LYS+ 111 - QB LYS+ 102 5.000% * 0.5514% (0.58 1.0 10.00 0.02 0.02) = 0.551% T QD LYS+ 65 - QB LYS+ 102 5.000% * 0.4174% (0.44 1.0 10.00 0.02 0.02) = 0.417% T QD LYS+ 102 - HB VAL 41 5.000% * 0.3100% (0.33 1.0 10.00 0.02 0.02) = 0.310% T HG3 PRO 93 - HB VAL 41 5.000% * 0.2862% (0.30 1.0 10.00 0.02 0.02) = 0.286% T HB2 LEU 123 - HB VAL 41 5.000% * 0.2763% (0.29 1.0 10.00 0.02 0.52) = 0.276% T QD LYS+ 38 - HB VAL 41 5.000% * 0.2251% (0.24 1.0 10.00 0.02 0.02) = 0.225% T HD2 LYS+ 111 - HB VAL 41 5.000% * 0.1805% (0.19 1.0 10.00 0.02 0.02) = 0.181% HB2 LEU 123 - QB LYS+ 102 5.000% * 0.0844% (0.89 1.0 1.00 0.02 0.02) = 0.084% HB VAL 83 - QB LYS+ 102 5.000% * 0.0506% (0.53 1.0 1.00 0.02 0.02) = 0.051% HB3 MET 92 - QB LYS+ 102 5.000% * 0.0417% (0.44 1.0 1.00 0.02 0.02) = 0.042% HB2 LYS+ 121 - QB LYS+ 102 5.000% * 0.0376% (0.40 1.0 1.00 0.02 0.02) = 0.038% HB2 LEU 73 - QB LYS+ 102 5.000% * 0.0263% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB VAL 83 - HB VAL 41 5.000% * 0.0166% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 MET 92 - HB VAL 41 5.000% * 0.0137% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB2 LYS+ 121 - HB VAL 41 5.000% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 73 - HB VAL 41 5.000% * 0.0086% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 1225 (3.02, 1.81, 34.65 ppm): 6 chemical-shift based assignments, quality = 0.872, support = 3.29, residual support = 83.8: * T QE LYS+ 102 - QB LYS+ 102 16.667% * 65.9093% (1.00 10.00 4.71 126.90) = 65.909% kept T QE LYS+ 99 - QB LYS+ 102 16.667% * 13.9522% (0.58 10.00 0.73 0.45) = 13.952% kept T QE LYS+ 38 - QB LYS+ 102 16.667% * 12.7363% (0.89 10.00 0.43 0.59) = 12.736% kept T QE LYS+ 99 - HB VAL 41 16.667% * 4.1190% (0.19 10.00 0.66 0.02) = 4.119% kept T QE LYS+ 38 - HB VAL 41 16.667% * 1.8966% (0.29 10.00 0.20 0.02) = 1.897% kept T QE LYS+ 102 - HB VAL 41 16.667% * 1.3865% (0.33 10.00 0.13 0.02) = 1.387% kept Peak 1226 (4.60, 1.45, 25.01 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 5.71, residual support = 126.6: * O T HA LYS+ 102 - HG2 LYS+ 102 20.000% * 99.8029% (1.00 10.0 10.00 5.72 126.90) = 99.803% kept HA CYS 21 - HG2 LYS+ 102 20.000% * 0.0770% (0.77 1.0 1.00 0.02 0.13) = 0.077% HA TRP 49 - HG2 LYS+ 102 20.000% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA1 GLY 109 - HG2 LYS+ 102 20.000% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA CYS 50 - HG2 LYS+ 102 20.000% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 1227 (1.81, 1.45, 25.01 ppm): 8 chemical-shift based assignments, quality = 0.959, support = 5.16, residual support = 121.4: * O T QB LYS+ 102 - HG2 LYS+ 102 12.500% * 95.0571% (1.00 10.0 10.00 5.29 126.90) = 95.057% kept HG12 ILE 103 - HG2 LYS+ 102 12.500% * 3.7513% (0.21 1.0 1.00 3.71 21.70) = 3.751% kept T QB LYS+ 66 - HG2 LYS+ 102 12.500% * 0.5535% (0.58 1.0 10.00 0.02 0.02) = 0.554% T HB VAL 41 - HG2 LYS+ 102 12.500% * 0.3371% (0.35 1.0 10.00 0.02 0.02) = 0.337% QB LYS+ 65 - HG2 LYS+ 102 12.500% * 0.0924% (0.97 1.0 1.00 0.02 0.02) = 0.092% HB2 LEU 71 - HG2 LYS+ 102 12.500% * 0.0903% (0.95 1.0 1.00 0.02 0.02) = 0.090% HG2 PRO 93 - HG2 LYS+ 102 12.500% * 0.0847% (0.89 1.0 1.00 0.02 0.02) = 0.085% HB3 GLN 17 - HG2 LYS+ 102 12.500% * 0.0337% (0.35 1.0 1.00 0.02 0.02) = 0.034% Peak 1228 (1.45, 1.45, 25.01 ppm): 1 diagonal assignment: * HG2 LYS+ 102 - HG2 LYS+ 102 (1.00) kept Peak 1229 (1.38, 1.45, 25.01 ppm): 12 chemical-shift based assignments, quality = 0.969, support = 4.2, residual support = 122.9: * O T HG3 LYS+ 102 - HG2 LYS+ 102 8.333% * 96.8510% (1.00 10.0 10.00 4.33 126.90) = 96.851% kept T HG3 LYS+ 65 - HG2 LYS+ 102 8.333% * 0.9410% (0.97 1.0 10.00 0.02 0.02) = 0.941% T HG3 LYS+ 106 - HG2 LYS+ 102 8.333% * 0.8940% (0.92 1.0 10.00 0.02 0.02) = 0.894% T HG3 LYS+ 33 - HG2 LYS+ 102 8.333% * 0.8940% (0.92 1.0 10.00 0.02 0.02) = 0.894% HB3 LEU 73 - HG2 LYS+ 102 8.333% * 0.0965% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 LYS+ 112 - HG2 LYS+ 102 8.333% * 0.0956% (0.99 1.0 1.00 0.02 0.02) = 0.096% HB VAL 42 - HG2 LYS+ 102 8.333% * 0.0941% (0.97 1.0 1.00 0.02 0.02) = 0.094% QB ALA 12 - HG2 LYS+ 102 8.333% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB3 PRO 93 - HG2 LYS+ 102 8.333% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 84 - HG2 LYS+ 102 8.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QB LEU 98 - HG2 LYS+ 102 8.333% * 0.0206% (0.21 1.0 1.00 0.02 0.17) = 0.021% HG LEU 98 - HG2 LYS+ 102 8.333% * 0.0153% (0.16 1.0 1.00 0.02 0.17) = 0.015% Peak 1230 (1.68, 1.45, 25.01 ppm): 10 chemical-shift based assignments, quality = 0.986, support = 4.27, residual support = 125.1: * O T QD LYS+ 102 - HG2 LYS+ 102 10.000% * 98.5784% (1.00 10.0 10.00 4.33 126.90) = 98.578% kept T HD2 LYS+ 111 - HG2 LYS+ 102 10.000% * 0.5740% (0.58 1.0 10.00 0.02 0.02) = 0.574% T QD LYS+ 65 - HG2 LYS+ 102 10.000% * 0.4345% (0.44 1.0 10.00 0.02 0.02) = 0.435% HG3 PRO 93 - HG2 LYS+ 102 10.000% * 0.0910% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 LEU 123 - HG2 LYS+ 102 10.000% * 0.0879% (0.89 1.0 1.00 0.02 0.02) = 0.088% QD LYS+ 38 - HG2 LYS+ 102 10.000% * 0.0716% (0.73 1.0 1.00 0.02 0.59) = 0.072% HB VAL 83 - HG2 LYS+ 102 10.000% * 0.0526% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 MET 92 - HG2 LYS+ 102 10.000% * 0.0435% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 LYS+ 121 - HG2 LYS+ 102 10.000% * 0.0391% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB2 LEU 73 - HG2 LYS+ 102 10.000% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 1231 (3.02, 1.45, 25.01 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 2.98, residual support = 77.2: * O T QE LYS+ 102 - HG2 LYS+ 102 33.333% * 60.6851% (1.00 10.0 10.00 4.33 126.90) = 60.685% kept T QE LYS+ 38 - HG2 LYS+ 102 33.333% * 23.8430% (0.89 1.0 10.00 0.88 0.59) = 23.843% kept T QE LYS+ 99 - HG2 LYS+ 102 33.333% * 15.4719% (0.58 1.0 10.00 0.88 0.45) = 15.472% kept Peak 1232 (4.60, 1.38, 25.01 ppm): 20 chemical-shift based assignments, quality = 0.981, support = 4.62, residual support = 124.5: * O T HA LYS+ 102 - HG3 LYS+ 102 5.000% * 98.0806% (1.00 10.0 10.00 4.71 126.90) = 98.081% kept T HA LYS+ 102 - HG3 LYS+ 65 5.000% * 0.7912% (0.81 1.0 10.00 0.02 0.02) = 0.791% T HA LYS+ 102 - HG3 LYS+ 33 5.000% * 0.4755% (0.48 1.0 10.00 0.02 0.02) = 0.475% T HA LYS+ 102 - HG3 LYS+ 106 5.000% * 0.1744% (0.18 1.0 10.00 0.02 0.02) = 0.174% HA CYS 21 - HG3 LYS+ 102 5.000% * 0.0757% (0.77 1.0 1.00 0.02 0.13) = 0.076% HA CYS 21 - HG3 LYS+ 65 5.000% * 0.0611% (0.62 1.0 1.00 0.02 0.02) = 0.061% HA TRP 49 - HG3 LYS+ 102 5.000% * 0.0524% (0.53 1.0 1.00 0.02 0.02) = 0.052% HA TRP 49 - HG3 LYS+ 65 5.000% * 0.0423% (0.43 1.0 1.00 0.02 0.02) = 0.042% HA CYS 21 - HG3 LYS+ 33 5.000% * 0.0367% (0.37 1.0 1.00 0.02 0.02) = 0.037% HA1 GLY 109 - HG3 LYS+ 102 5.000% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA CYS 50 - HG3 LYS+ 102 5.000% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 109 - HG3 LYS+ 65 5.000% * 0.0281% (0.29 1.0 1.00 0.02 0.02) = 0.028% HA TRP 49 - HG3 LYS+ 33 5.000% * 0.0254% (0.26 1.0 1.00 0.02 0.02) = 0.025% HA CYS 50 - HG3 LYS+ 65 5.000% * 0.0249% (0.25 1.0 1.00 0.02 0.02) = 0.025% HA1 GLY 109 - HG3 LYS+ 33 5.000% * 0.0169% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA CYS 50 - HG3 LYS+ 33 5.000% * 0.0150% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA CYS 21 - HG3 LYS+ 106 5.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HA TRP 49 - HG3 LYS+ 106 5.000% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA1 GLY 109 - HG3 LYS+ 106 5.000% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA CYS 50 - HG3 LYS+ 106 5.000% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.005% Peak 1233 (1.81, 1.38, 25.01 ppm): 32 chemical-shift based assignments, quality = 0.859, support = 4.69, residual support = 111.7: * O T QB LYS+ 102 - HG3 LYS+ 102 3.125% * 51.7250% (1.00 10.0 10.00 4.71 126.90) = 51.725% kept O QB LYS+ 65 - HG3 LYS+ 65 3.125% * 40.5401% (0.78 10.0 1.00 5.03 109.67) = 40.540% kept QB LYS+ 66 - HG3 LYS+ 65 3.125% * 4.3051% (0.47 1.0 1.00 3.54 29.03) = 4.305% kept HG12 ILE 103 - HG3 LYS+ 102 3.125% * 1.7867% (0.21 1.0 1.00 3.25 21.70) = 1.787% kept T QB LYS+ 102 - HG3 LYS+ 65 3.125% * 0.4172% (0.81 1.0 10.00 0.02 0.02) = 0.417% T QB LYS+ 102 - HG3 LYS+ 33 3.125% * 0.2507% (0.48 1.0 10.00 0.02 0.02) = 0.251% T HB VAL 41 - HG3 LYS+ 102 3.125% * 0.1834% (0.35 1.0 10.00 0.02 0.02) = 0.183% T HB VAL 41 - HG3 LYS+ 65 3.125% * 0.1480% (0.29 1.0 10.00 0.02 0.02) = 0.148% T QB LYS+ 102 - HG3 LYS+ 106 3.125% * 0.0920% (0.18 1.0 10.00 0.02 0.02) = 0.092% T HB VAL 41 - HG3 LYS+ 33 3.125% * 0.0889% (0.17 1.0 10.00 0.02 0.02) = 0.089% QB LYS+ 65 - HG3 LYS+ 102 3.125% * 0.0503% (0.97 1.0 1.00 0.02 0.02) = 0.050% HB2 LEU 71 - HG3 LYS+ 102 3.125% * 0.0491% (0.95 1.0 1.00 0.02 0.02) = 0.049% HG2 PRO 93 - HG3 LYS+ 102 3.125% * 0.0461% (0.89 1.0 1.00 0.02 0.02) = 0.046% HB2 LEU 71 - HG3 LYS+ 65 3.125% * 0.0396% (0.77 1.0 1.00 0.02 0.02) = 0.040% HG2 PRO 93 - HG3 LYS+ 65 3.125% * 0.0372% (0.72 1.0 1.00 0.02 1.10) = 0.037% T HB VAL 41 - HG3 LYS+ 106 3.125% * 0.0326% (0.06 1.0 10.00 0.02 0.33) = 0.033% QB LYS+ 66 - HG3 LYS+ 102 3.125% * 0.0301% (0.58 1.0 1.00 0.02 0.02) = 0.030% QB LYS+ 65 - HG3 LYS+ 33 3.125% * 0.0244% (0.47 1.0 1.00 0.02 1.01) = 0.024% HB2 LEU 71 - HG3 LYS+ 33 3.125% * 0.0238% (0.46 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 93 - HG3 LYS+ 33 3.125% * 0.0223% (0.43 1.0 1.00 0.02 0.02) = 0.022% HB3 GLN 17 - HG3 LYS+ 102 3.125% * 0.0183% (0.35 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 17 - HG3 LYS+ 65 3.125% * 0.0148% (0.29 1.0 1.00 0.02 0.02) = 0.015% QB LYS+ 66 - HG3 LYS+ 33 3.125% * 0.0146% (0.28 1.0 1.00 0.02 0.02) = 0.015% QB LYS+ 65 - HG3 LYS+ 106 3.125% * 0.0089% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB3 GLN 17 - HG3 LYS+ 33 3.125% * 0.0089% (0.17 1.0 1.00 0.02 0.02) = 0.009% HG12 ILE 103 - HG3 LYS+ 65 3.125% * 0.0089% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB2 LEU 71 - HG3 LYS+ 106 3.125% * 0.0087% (0.17 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 93 - HG3 LYS+ 106 3.125% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% QB LYS+ 66 - HG3 LYS+ 106 3.125% * 0.0054% (0.10 1.0 1.00 0.02 0.02) = 0.005% HG12 ILE 103 - HG3 LYS+ 33 3.125% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% HB3 GLN 17 - HG3 LYS+ 106 3.125% * 0.0033% (0.06 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 103 - HG3 LYS+ 106 3.125% * 0.0020% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 1234 (1.45, 1.38, 25.01 ppm): 44 chemical-shift based assignments, quality = 0.934, support = 4.12, residual support = 113.0: * O T HG2 LYS+ 102 - HG3 LYS+ 102 2.273% * 86.6866% (1.00 10.0 10.00 4.33 126.90) = 86.687% kept QG LYS+ 66 - HG3 LYS+ 65 2.273% * 10.1947% (0.66 1.0 1.00 3.58 29.03) = 10.195% kept HG LEU 73 - HG3 LYS+ 65 2.273% * 0.8287% (0.78 1.0 1.00 0.24 0.02) = 0.829% T HG2 LYS+ 102 - HG3 LYS+ 65 2.273% * 0.6993% (0.81 1.0 10.00 0.02 0.02) = 0.699% T HG2 LYS+ 102 - HG3 LYS+ 33 2.273% * 0.4202% (0.48 1.0 10.00 0.02 0.02) = 0.420% T HG2 LYS+ 102 - HG3 LYS+ 106 2.273% * 0.1541% (0.18 1.0 10.00 0.02 0.02) = 0.154% HG LEU 73 - HG3 LYS+ 102 2.273% * 0.0842% (0.97 1.0 1.00 0.02 0.02) = 0.084% QG LYS+ 66 - HG3 LYS+ 102 2.273% * 0.0706% (0.81 1.0 1.00 0.02 0.02) = 0.071% HB3 LEU 115 - HG3 LYS+ 102 2.273% * 0.0629% (0.73 1.0 1.00 0.02 0.02) = 0.063% HG LEU 40 - HG3 LYS+ 102 2.273% * 0.0629% (0.73 1.0 1.00 0.02 0.02) = 0.063% HG LEU 40 - HG3 LYS+ 65 2.273% * 0.0508% (0.59 1.0 1.00 0.02 0.02) = 0.051% HB3 LEU 115 - HG3 LYS+ 65 2.273% * 0.0508% (0.59 1.0 1.00 0.02 1.91) = 0.051% HB3 LEU 67 - HG3 LYS+ 102 2.273% * 0.0505% (0.58 1.0 1.00 0.02 0.02) = 0.050% HG LEU 67 - HG3 LYS+ 102 2.273% * 0.0505% (0.58 1.0 1.00 0.02 0.02) = 0.050% HG LEU 73 - HG3 LYS+ 33 2.273% * 0.0408% (0.47 1.0 1.00 0.02 0.02) = 0.041% HB3 LEU 67 - HG3 LYS+ 65 2.273% * 0.0407% (0.47 1.0 1.00 0.02 0.15) = 0.041% HG LEU 67 - HG3 LYS+ 65 2.273% * 0.0407% (0.47 1.0 1.00 0.02 0.15) = 0.041% QB ALA 61 - HG3 LYS+ 102 2.273% * 0.0344% (0.40 1.0 1.00 0.02 0.02) = 0.034% QG LYS+ 66 - HG3 LYS+ 33 2.273% * 0.0342% (0.39 1.0 1.00 0.02 0.02) = 0.034% HG LEU 40 - HG3 LYS+ 33 2.273% * 0.0305% (0.35 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 115 - HG3 LYS+ 33 2.273% * 0.0305% (0.35 1.0 1.00 0.02 0.02) = 0.031% QB ALA 61 - HG3 LYS+ 65 2.273% * 0.0277% (0.32 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 67 - HG3 LYS+ 33 2.273% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.024% HG LEU 67 - HG3 LYS+ 33 2.273% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.024% HG LEU 80 - HG3 LYS+ 102 2.273% * 0.0184% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB ALA 61 - HG3 LYS+ 33 2.273% * 0.0167% (0.19 1.0 1.00 0.02 0.02) = 0.017% QB ALA 110 - HG3 LYS+ 102 2.273% * 0.0160% (0.18 1.0 1.00 0.02 0.02) = 0.016% HG LEU 73 - HG3 LYS+ 106 2.273% * 0.0150% (0.17 1.0 1.00 0.02 0.74) = 0.015% HG LEU 80 - HG3 LYS+ 65 2.273% * 0.0149% (0.17 1.0 1.00 0.02 0.02) = 0.015% QB ALA 110 - HG3 LYS+ 65 2.273% * 0.0129% (0.15 1.0 1.00 0.02 0.02) = 0.013% QG LYS+ 66 - HG3 LYS+ 106 2.273% * 0.0126% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG12 ILE 19 - HG3 LYS+ 102 2.273% * 0.0117% (0.14 1.0 1.00 0.02 3.31) = 0.012% HB3 LEU 115 - HG3 LYS+ 106 2.273% * 0.0112% (0.13 1.0 1.00 0.02 0.02) = 0.011% HG LEU 40 - HG3 LYS+ 106 2.273% * 0.0112% (0.13 1.0 1.00 0.02 0.02) = 0.011% HG12 ILE 19 - HG3 LYS+ 65 2.273% * 0.0095% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 67 - HG3 LYS+ 106 2.273% * 0.0090% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG LEU 67 - HG3 LYS+ 106 2.273% * 0.0090% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG LEU 80 - HG3 LYS+ 33 2.273% * 0.0089% (0.10 1.0 1.00 0.02 1.48) = 0.009% QB ALA 110 - HG3 LYS+ 33 2.273% * 0.0077% (0.09 1.0 1.00 0.02 0.02) = 0.008% QB ALA 61 - HG3 LYS+ 106 2.273% * 0.0061% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG12 ILE 19 - HG3 LYS+ 33 2.273% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG LEU 80 - HG3 LYS+ 106 2.273% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB ALA 110 - HG3 LYS+ 106 2.273% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 19 - HG3 LYS+ 106 2.273% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1235 (1.38, 1.38, 25.01 ppm): 4 diagonal assignments: * HG3 LYS+ 102 - HG3 LYS+ 102 (1.00) kept HG3 LYS+ 65 - HG3 LYS+ 65 (0.78) kept HG3 LYS+ 33 - HG3 LYS+ 33 (0.45) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.16) kept Peak 1236 (1.68, 1.38, 25.01 ppm): 40 chemical-shift based assignments, quality = 0.8, support = 3.87, residual support = 117.8: * O T QD LYS+ 102 - HG3 LYS+ 102 2.500% * 70.9982% (1.00 10.0 10.00 4.00 126.90) = 70.998% kept O T QD LYS+ 65 - HG3 LYS+ 65 2.500% * 25.2444% (0.36 10.0 10.00 4.09 109.67) = 25.244% kept T QD LYS+ 102 - HG3 LYS+ 65 2.500% * 0.5727% (0.81 1.0 10.00 0.02 0.02) = 0.573% T HD2 LYS+ 111 - HG3 LYS+ 102 2.500% * 0.4134% (0.58 1.0 10.00 0.02 0.02) = 0.413% T QD LYS+ 102 - HG3 LYS+ 33 2.500% * 0.3442% (0.48 1.0 10.00 0.02 0.02) = 0.344% T HD2 LYS+ 111 - HG3 LYS+ 65 2.500% * 0.3335% (0.47 1.0 10.00 0.02 0.02) = 0.333% T QD LYS+ 65 - HG3 LYS+ 102 2.500% * 0.3129% (0.44 1.0 10.00 0.02 0.02) = 0.313% T HD2 LYS+ 111 - HG3 LYS+ 33 2.500% * 0.2004% (0.28 1.0 10.00 0.02 0.02) = 0.200% T HB2 LEU 73 - HG3 LYS+ 102 2.500% * 0.1974% (0.28 1.0 10.00 0.02 0.02) = 0.197% T HB2 LEU 73 - HG3 LYS+ 65 2.500% * 0.1592% (0.22 1.0 10.00 0.02 0.02) = 0.159% T QD LYS+ 65 - HG3 LYS+ 33 2.500% * 0.1517% (0.21 1.0 10.00 0.02 1.01) = 0.152% T QD LYS+ 102 - HG3 LYS+ 106 2.500% * 0.1262% (0.18 1.0 10.00 0.02 0.02) = 0.126% T HB2 LEU 73 - HG3 LYS+ 33 2.500% * 0.0957% (0.13 1.0 10.00 0.02 0.02) = 0.096% T HD2 LYS+ 111 - HG3 LYS+ 106 2.500% * 0.0735% (0.10 1.0 10.00 0.02 0.02) = 0.074% HG3 PRO 93 - HG3 LYS+ 102 2.500% * 0.0655% (0.92 1.0 1.00 0.02 0.02) = 0.066% HB2 LEU 123 - HG3 LYS+ 102 2.500% * 0.0633% (0.89 1.0 1.00 0.02 0.02) = 0.063% T QD LYS+ 65 - HG3 LYS+ 106 2.500% * 0.0556% (0.08 1.0 10.00 0.02 0.02) = 0.056% HG3 PRO 93 - HG3 LYS+ 65 2.500% * 0.0529% (0.74 1.0 1.00 0.02 1.10) = 0.053% QD LYS+ 38 - HG3 LYS+ 102 2.500% * 0.0516% (0.73 1.0 1.00 0.02 0.59) = 0.052% HB2 LEU 123 - HG3 LYS+ 65 2.500% * 0.0510% (0.72 1.0 1.00 0.02 0.62) = 0.051% QD LYS+ 38 - HG3 LYS+ 65 2.500% * 0.0416% (0.59 1.0 1.00 0.02 0.02) = 0.042% HB VAL 83 - HG3 LYS+ 102 2.500% * 0.0379% (0.53 1.0 1.00 0.02 0.02) = 0.038% T HB2 LEU 73 - HG3 LYS+ 106 2.500% * 0.0351% (0.05 1.0 10.00 0.02 0.74) = 0.035% HG3 PRO 93 - HG3 LYS+ 33 2.500% * 0.0318% (0.45 1.0 1.00 0.02 0.02) = 0.032% HB3 MET 92 - HG3 LYS+ 102 2.500% * 0.0313% (0.44 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 123 - HG3 LYS+ 33 2.500% * 0.0307% (0.43 1.0 1.00 0.02 0.02) = 0.031% HB VAL 83 - HG3 LYS+ 65 2.500% * 0.0306% (0.43 1.0 1.00 0.02 0.02) = 0.031% HB2 LYS+ 121 - HG3 LYS+ 102 2.500% * 0.0282% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 92 - HG3 LYS+ 65 2.500% * 0.0252% (0.36 1.0 1.00 0.02 0.02) = 0.025% QD LYS+ 38 - HG3 LYS+ 33 2.500% * 0.0250% (0.35 1.0 1.00 0.02 0.02) = 0.025% HB2 LYS+ 121 - HG3 LYS+ 65 2.500% * 0.0227% (0.32 1.0 1.00 0.02 0.02) = 0.023% HB VAL 83 - HG3 LYS+ 33 2.500% * 0.0184% (0.26 1.0 1.00 0.02 0.02) = 0.018% HB3 MET 92 - HG3 LYS+ 33 2.500% * 0.0152% (0.21 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 121 - HG3 LYS+ 33 2.500% * 0.0137% (0.19 1.0 1.00 0.02 0.02) = 0.014% HG3 PRO 93 - HG3 LYS+ 106 2.500% * 0.0117% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 123 - HG3 LYS+ 106 2.500% * 0.0112% (0.16 1.0 1.00 0.02 0.02) = 0.011% QD LYS+ 38 - HG3 LYS+ 106 2.500% * 0.0092% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB VAL 83 - HG3 LYS+ 106 2.500% * 0.0067% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 MET 92 - HG3 LYS+ 106 2.500% * 0.0056% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 121 - HG3 LYS+ 106 2.500% * 0.0050% (0.07 1.0 1.00 0.02 0.02) = 0.005% Peak 1237 (3.02, 1.38, 25.01 ppm): 12 chemical-shift based assignments, quality = 0.896, support = 2.77, residual support = 79.5: * O T QE LYS+ 102 - HG3 LYS+ 102 8.333% * 62.5055% (1.00 10.0 10.00 4.00 126.90) = 62.505% kept T QE LYS+ 38 - HG3 LYS+ 102 8.333% * 21.4482% (0.89 1.0 10.00 0.77 0.59) = 21.448% kept T QE LYS+ 99 - HG3 LYS+ 102 8.333% * 13.7749% (0.58 1.0 10.00 0.76 0.45) = 13.775% kept T QE LYS+ 102 - HG3 LYS+ 65 8.333% * 0.5042% (0.81 1.0 10.00 0.02 0.02) = 0.504% T QE LYS+ 38 - HG3 LYS+ 65 8.333% * 0.4493% (0.72 1.0 10.00 0.02 0.02) = 0.449% T QE LYS+ 102 - HG3 LYS+ 33 8.333% * 0.3030% (0.48 1.0 10.00 0.02 0.02) = 0.303% T QE LYS+ 99 - HG3 LYS+ 65 8.333% * 0.2936% (0.47 1.0 10.00 0.02 0.02) = 0.294% T QE LYS+ 38 - HG3 LYS+ 33 8.333% * 0.2700% (0.43 1.0 10.00 0.02 0.02) = 0.270% T QE LYS+ 99 - HG3 LYS+ 33 8.333% * 0.1764% (0.28 1.0 10.00 0.02 0.02) = 0.176% T QE LYS+ 102 - HG3 LYS+ 106 8.333% * 0.1111% (0.18 1.0 10.00 0.02 0.02) = 0.111% T QE LYS+ 38 - HG3 LYS+ 106 8.333% * 0.0990% (0.16 1.0 10.00 0.02 0.02) = 0.099% T QE LYS+ 99 - HG3 LYS+ 106 8.333% * 0.0647% (0.10 1.0 10.00 0.02 0.02) = 0.065% Peak 1238 (4.60, 1.68, 29.29 ppm): 15 chemical-shift based assignments, quality = 0.988, support = 4.65, residual support = 125.4: * T HA LYS+ 102 - QD LYS+ 102 6.667% * 98.8427% (1.00 10.00 4.71 126.90) = 98.843% kept HA CYS 21 - QD LYS+ 102 6.667% * 0.5430% (0.77 1.00 0.14 0.13) = 0.543% T HA LYS+ 102 - HD2 LYS+ 111 6.667% * 0.2190% (0.22 10.00 0.02 0.02) = 0.219% T HA LYS+ 102 - QD LYS+ 65 6.667% * 0.1945% (0.20 10.00 0.02 0.02) = 0.195% HA TRP 49 - QD LYS+ 102 6.667% * 0.0528% (0.53 1.00 0.02 0.02) = 0.053% HA1 GLY 109 - QD LYS+ 102 6.667% * 0.0350% (0.35 1.00 0.02 0.02) = 0.035% HA CYS 50 - QD LYS+ 102 6.667% * 0.0311% (0.31 1.00 0.02 0.02) = 0.031% HA CYS 21 - HD2 LYS+ 111 6.667% * 0.0169% (0.17 1.00 0.02 0.02) = 0.017% HA CYS 21 - QD LYS+ 65 6.667% * 0.0150% (0.15 1.00 0.02 0.02) = 0.015% HA TRP 49 - HD2 LYS+ 111 6.667% * 0.0117% (0.12 1.00 0.02 0.02) = 0.012% HA TRP 49 - QD LYS+ 65 6.667% * 0.0104% (0.11 1.00 0.02 0.02) = 0.010% HA1 GLY 109 - HD2 LYS+ 111 6.667% * 0.0078% (0.08 1.00 0.02 0.02) = 0.008% HA CYS 50 - HD2 LYS+ 111 6.667% * 0.0069% (0.07 1.00 0.02 0.02) = 0.007% HA1 GLY 109 - QD LYS+ 65 6.667% * 0.0069% (0.07 1.00 0.02 0.02) = 0.007% HA CYS 50 - QD LYS+ 65 6.667% * 0.0061% (0.06 1.00 0.02 0.02) = 0.006% Peak 1239 (1.81, 1.68, 29.29 ppm): 24 chemical-shift based assignments, quality = 0.813, support = 4.56, residual support = 116.0: * O T QB LYS+ 102 - QD LYS+ 102 4.167% * 77.7144% (1.00 10.0 10.00 4.71 126.90) = 77.714% kept O T QB LYS+ 65 - QD LYS+ 65 4.167% * 14.8588% (0.19 10.0 10.00 5.03 109.67) = 14.859% kept HG12 ILE 103 - QD LYS+ 102 4.167% * 2.7256% (0.21 1.0 1.00 3.30 21.70) = 2.726% kept QB LYS+ 66 - QD LYS+ 65 4.167% * 1.7279% (0.11 1.0 1.00 3.88 29.03) = 1.728% kept T QB LYS+ 65 - QD LYS+ 102 4.167% * 0.7551% (0.97 1.0 10.00 0.02 0.02) = 0.755% T HG2 PRO 93 - QD LYS+ 102 4.167% * 0.6926% (0.89 1.0 10.00 0.02 0.02) = 0.693% T HB VAL 41 - QD LYS+ 65 4.167% * 0.4741% (0.07 1.0 10.00 0.17 0.02) = 0.474% T HB VAL 41 - QD LYS+ 102 4.167% * 0.2756% (0.35 1.0 10.00 0.02 0.02) = 0.276% T QB LYS+ 102 - HD2 LYS+ 111 4.167% * 0.1722% (0.22 1.0 10.00 0.02 0.02) = 0.172% T HG2 PRO 93 - HD2 LYS+ 111 4.167% * 0.1535% (0.20 1.0 10.00 0.02 0.02) = 0.153% T QB LYS+ 102 - QD LYS+ 65 4.167% * 0.1529% (0.20 1.0 10.00 0.02 0.02) = 0.153% HB2 LEU 71 - QD LYS+ 102 4.167% * 0.0738% (0.95 1.0 1.00 0.02 0.02) = 0.074% T HB VAL 41 - HD2 LYS+ 111 4.167% * 0.0611% (0.08 1.0 10.00 0.02 0.02) = 0.061% QB LYS+ 66 - QD LYS+ 102 4.167% * 0.0453% (0.58 1.0 1.00 0.02 0.02) = 0.045% HB3 GLN 17 - QD LYS+ 102 4.167% * 0.0276% (0.35 1.0 1.00 0.02 0.02) = 0.028% QB LYS+ 65 - HD2 LYS+ 111 4.167% * 0.0167% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB2 LEU 71 - HD2 LYS+ 111 4.167% * 0.0164% (0.21 1.0 1.00 0.02 0.02) = 0.016% HB2 LEU 71 - QD LYS+ 65 4.167% * 0.0145% (0.19 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 93 - QD LYS+ 65 4.167% * 0.0136% (0.18 1.0 1.00 0.02 1.10) = 0.014% QB LYS+ 66 - HD2 LYS+ 111 4.167% * 0.0100% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 GLN 17 - HD2 LYS+ 111 4.167% * 0.0061% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - QD LYS+ 65 4.167% * 0.0054% (0.07 1.0 1.00 0.02 0.02) = 0.005% HG12 ILE 103 - HD2 LYS+ 111 4.167% * 0.0037% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG12 ILE 103 - QD LYS+ 65 4.167% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1240 (1.45, 1.68, 29.29 ppm): 33 chemical-shift based assignments, quality = 0.964, support = 4.27, residual support = 122.6: * O T HG2 LYS+ 102 - QD LYS+ 102 3.030% * 95.9088% (1.00 10.0 10.00 4.33 126.90) = 95.909% kept QG LYS+ 66 - QD LYS+ 65 3.030% * 2.9800% (0.16 1.0 1.00 3.88 29.03) = 2.980% kept T HG2 LYS+ 102 - HD2 LYS+ 111 3.030% * 0.2125% (0.22 1.0 10.00 0.02 0.02) = 0.213% T HG2 LYS+ 102 - QD LYS+ 65 3.030% * 0.1887% (0.20 1.0 10.00 0.02 0.02) = 0.189% HG LEU 73 - QD LYS+ 102 3.030% * 0.0932% (0.97 1.0 1.00 0.02 0.02) = 0.093% QG LYS+ 66 - QD LYS+ 102 3.030% * 0.0781% (0.81 1.0 1.00 0.02 0.02) = 0.078% HG LEU 40 - QD LYS+ 102 3.030% * 0.0696% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB3 LEU 115 - QD LYS+ 102 3.030% * 0.0696% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB3 LEU 67 - QD LYS+ 102 3.030% * 0.0558% (0.58 1.0 1.00 0.02 0.02) = 0.056% HG LEU 67 - QD LYS+ 102 3.030% * 0.0558% (0.58 1.0 1.00 0.02 0.02) = 0.056% QB ALA 61 - QD LYS+ 102 3.030% * 0.0380% (0.40 1.0 1.00 0.02 0.02) = 0.038% HG LEU 73 - HD2 LYS+ 111 3.030% * 0.0207% (0.22 1.0 1.00 0.02 0.13) = 0.021% HG LEU 80 - QD LYS+ 102 3.030% * 0.0204% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG LEU 73 - QD LYS+ 65 3.030% * 0.0183% (0.19 1.0 1.00 0.02 0.02) = 0.018% QB ALA 110 - QD LYS+ 102 3.030% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% QG LYS+ 66 - HD2 LYS+ 111 3.030% * 0.0173% (0.18 1.0 1.00 0.02 0.02) = 0.017% HG LEU 40 - HD2 LYS+ 111 3.030% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 LEU 115 - HD2 LYS+ 111 3.030% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 LEU 115 - QD LYS+ 65 3.030% * 0.0137% (0.14 1.0 1.00 0.02 1.91) = 0.014% HG LEU 40 - QD LYS+ 65 3.030% * 0.0137% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG12 ILE 19 - QD LYS+ 102 3.030% * 0.0130% (0.14 1.0 1.00 0.02 3.31) = 0.013% HB3 LEU 67 - HD2 LYS+ 111 3.030% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG LEU 67 - HD2 LYS+ 111 3.030% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 67 - QD LYS+ 65 3.030% * 0.0110% (0.11 1.0 1.00 0.02 0.15) = 0.011% HG LEU 67 - QD LYS+ 65 3.030% * 0.0110% (0.11 1.0 1.00 0.02 0.15) = 0.011% QB ALA 61 - HD2 LYS+ 111 3.030% * 0.0084% (0.09 1.0 1.00 0.02 0.02) = 0.008% QB ALA 61 - QD LYS+ 65 3.030% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG LEU 80 - HD2 LYS+ 111 3.030% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG LEU 80 - QD LYS+ 65 3.030% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 110 - HD2 LYS+ 111 3.030% * 0.0039% (0.04 1.0 1.00 0.02 6.55) = 0.004% QB ALA 110 - QD LYS+ 65 3.030% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 19 - HD2 LYS+ 111 3.030% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 19 - QD LYS+ 65 3.030% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1241 (1.38, 1.68, 29.29 ppm): 36 chemical-shift based assignments, quality = 0.803, support = 3.87, residual support = 114.4: * O T HG3 LYS+ 102 - QD LYS+ 102 2.778% * 76.6270% (1.00 10.0 10.00 4.00 126.90) = 76.627% kept O T HG3 LYS+ 65 - QD LYS+ 65 2.778% * 14.6509% (0.19 10.0 10.00 4.09 109.67) = 14.651% kept HB2 LYS+ 112 - HD2 LYS+ 111 2.778% * 4.1487% (0.22 1.0 1.00 4.95 25.68) = 4.149% kept T HB3 LEU 73 - QD LYS+ 102 2.778% * 0.7638% (1.00 1.0 10.00 0.02 0.02) = 0.764% T HG3 LYS+ 65 - QD LYS+ 102 2.778% * 0.7445% (0.97 1.0 10.00 0.02 0.02) = 0.745% T HG3 LYS+ 106 - QD LYS+ 102 2.778% * 0.7074% (0.92 1.0 10.00 0.02 0.02) = 0.707% T HG3 LYS+ 33 - QD LYS+ 102 2.778% * 0.7074% (0.92 1.0 10.00 0.02 0.02) = 0.707% T HG3 LYS+ 102 - HD2 LYS+ 111 2.778% * 0.1698% (0.22 1.0 10.00 0.02 0.02) = 0.170% T HB3 LEU 73 - HD2 LYS+ 111 2.778% * 0.1693% (0.22 1.0 10.00 0.02 0.13) = 0.169% T HG3 LYS+ 65 - HD2 LYS+ 111 2.778% * 0.1650% (0.22 1.0 10.00 0.02 0.02) = 0.165% T HG3 LYS+ 106 - HD2 LYS+ 111 2.778% * 0.1568% (0.20 1.0 10.00 0.02 0.02) = 0.157% T HG3 LYS+ 33 - HD2 LYS+ 111 2.778% * 0.1568% (0.20 1.0 10.00 0.02 0.02) = 0.157% T HG3 LYS+ 102 - QD LYS+ 65 2.778% * 0.1508% (0.20 1.0 10.00 0.02 0.02) = 0.151% T HG3 LYS+ 106 - QD LYS+ 65 2.778% * 0.1392% (0.18 1.0 10.00 0.02 0.02) = 0.139% T HG3 LYS+ 33 - QD LYS+ 65 2.778% * 0.1392% (0.18 1.0 10.00 0.02 1.01) = 0.139% HB2 LYS+ 112 - QD LYS+ 102 2.778% * 0.0757% (0.99 1.0 1.00 0.02 0.02) = 0.076% HB VAL 42 - QD LYS+ 102 2.778% * 0.0745% (0.97 1.0 1.00 0.02 0.02) = 0.074% T HB3 PRO 93 - HD2 LYS+ 111 2.778% * 0.0472% (0.06 1.0 10.00 0.02 0.02) = 0.047% QB ALA 12 - QD LYS+ 102 2.778% * 0.0373% (0.49 1.0 1.00 0.02 0.02) = 0.037% HB3 PRO 93 - QD LYS+ 102 2.778% * 0.0213% (0.28 1.0 1.00 0.02 0.02) = 0.021% QB ALA 84 - QD LYS+ 102 2.778% * 0.0187% (0.24 1.0 1.00 0.02 0.02) = 0.019% HB VAL 42 - HD2 LYS+ 111 2.778% * 0.0165% (0.22 1.0 1.00 0.02 0.02) = 0.016% QB LEU 98 - QD LYS+ 102 2.778% * 0.0163% (0.21 1.0 1.00 0.02 0.17) = 0.016% HB3 LEU 73 - QD LYS+ 65 2.778% * 0.0150% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 112 - QD LYS+ 65 2.778% * 0.0149% (0.19 1.0 1.00 0.02 0.02) = 0.015% HB VAL 42 - QD LYS+ 65 2.778% * 0.0147% (0.19 1.0 1.00 0.02 0.02) = 0.015% HG LEU 98 - QD LYS+ 102 2.778% * 0.0121% (0.16 1.0 1.00 0.02 0.17) = 0.012% QB ALA 12 - HD2 LYS+ 111 2.778% * 0.0083% (0.11 1.0 1.00 0.02 0.02) = 0.008% QB ALA 12 - QD LYS+ 65 2.778% * 0.0073% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 93 - QD LYS+ 65 2.778% * 0.0042% (0.05 1.0 1.00 0.02 1.10) = 0.004% QB ALA 84 - HD2 LYS+ 111 2.778% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB ALA 84 - QD LYS+ 65 2.778% * 0.0037% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB LEU 98 - HD2 LYS+ 111 2.778% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB LEU 98 - QD LYS+ 65 2.778% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG LEU 98 - HD2 LYS+ 111 2.778% * 0.0027% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG LEU 98 - QD LYS+ 65 2.778% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1242 (1.68, 1.68, 29.29 ppm): 3 diagonal assignments: * QD LYS+ 102 - QD LYS+ 102 (1.00) kept HD2 LYS+ 111 - HD2 LYS+ 111 (0.13) kept QD LYS+ 65 - QD LYS+ 65 (0.09) kept Peak 1243 (3.02, 1.68, 29.29 ppm): 9 chemical-shift based assignments, quality = 0.906, support = 2.78, residual support = 78.2: * O T QE LYS+ 102 - QD LYS+ 102 11.111% * 61.4365% (1.00 10.0 10.00 4.00 126.90) = 61.437% kept T QE LYS+ 38 - QD LYS+ 102 11.111% * 23.0267% (0.89 1.0 10.00 0.84 0.59) = 23.027% kept T QE LYS+ 99 - QD LYS+ 102 11.111% * 14.9010% (0.58 1.0 10.00 0.83 0.45) = 14.901% kept T QE LYS+ 102 - HD2 LYS+ 111 11.111% * 0.1361% (0.22 1.0 10.00 0.02 0.02) = 0.136% T QE LYS+ 38 - HD2 LYS+ 111 11.111% * 0.1213% (0.20 1.0 10.00 0.02 0.02) = 0.121% T QE LYS+ 102 - QD LYS+ 65 11.111% * 0.1209% (0.20 1.0 10.00 0.02 0.02) = 0.121% T QE LYS+ 38 - QD LYS+ 65 11.111% * 0.1077% (0.18 1.0 10.00 0.02 0.02) = 0.108% T QE LYS+ 99 - HD2 LYS+ 111 11.111% * 0.0793% (0.13 1.0 10.00 0.02 0.02) = 0.079% T QE LYS+ 99 - QD LYS+ 65 11.111% * 0.0704% (0.11 1.0 10.00 0.02 0.02) = 0.070% Peak 1244 (4.60, 3.02, 42.50 ppm): 15 chemical-shift based assignments, quality = 0.917, support = 4.04, residual support = 106.9: * T HA LYS+ 102 - QE LYS+ 102 6.667% * 84.1671% (1.00 10.00 4.71 126.90) = 84.167% kept T HA LYS+ 102 - QE LYS+ 99 6.667% * 11.5212% (0.58 10.00 0.47 0.45) = 11.521% kept T HA LYS+ 102 - QE LYS+ 38 6.667% * 4.0125% (0.22 10.00 0.43 0.59) = 4.013% kept HA CYS 21 - QE LYS+ 102 6.667% * 0.0649% (0.77 1.00 0.02 0.13) = 0.065% HA TRP 49 - QE LYS+ 102 6.667% * 0.0450% (0.53 1.00 0.02 0.02) = 0.045% HA CYS 21 - QE LYS+ 99 6.667% * 0.0375% (0.45 1.00 0.02 0.02) = 0.038% HA1 GLY 109 - QE LYS+ 102 6.667% * 0.0298% (0.35 1.00 0.02 0.02) = 0.030% HA CYS 50 - QE LYS+ 102 6.667% * 0.0265% (0.31 1.00 0.02 0.02) = 0.027% HA TRP 49 - QE LYS+ 99 6.667% * 0.0260% (0.31 1.00 0.02 0.02) = 0.026% HA1 GLY 109 - QE LYS+ 99 6.667% * 0.0173% (0.20 1.00 0.02 0.02) = 0.017% HA CYS 50 - QE LYS+ 99 6.667% * 0.0153% (0.18 1.00 0.02 0.02) = 0.015% HA CYS 21 - QE LYS+ 38 6.667% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% HA TRP 49 - QE LYS+ 38 6.667% * 0.0099% (0.12 1.00 0.02 0.02) = 0.010% HA1 GLY 109 - QE LYS+ 38 6.667% * 0.0066% (0.08 1.00 0.02 0.02) = 0.007% HA CYS 50 - QE LYS+ 38 6.667% * 0.0059% (0.07 1.00 0.02 0.02) = 0.006% Peak 1245 (1.81, 3.02, 42.50 ppm): 24 chemical-shift based assignments, quality = 0.863, support = 3.76, residual support = 96.1: * T QB LYS+ 102 - QE LYS+ 102 4.167% * 75.1973% (1.00 10.00 4.71 126.90) = 75.197% kept T QB LYS+ 102 - QE LYS+ 99 4.167% * 15.8042% (0.58 10.00 0.73 0.45) = 15.804% kept T QB LYS+ 102 - QE LYS+ 38 4.167% * 3.6033% (0.22 10.00 0.43 0.59) = 3.603% kept HG12 ILE 103 - QE LYS+ 102 4.167% * 2.5751% (0.21 1.00 3.22 21.70) = 2.575% kept T HB VAL 41 - QE LYS+ 102 4.167% * 1.7137% (0.35 10.00 0.13 0.02) = 1.714% kept HG12 ILE 103 - QE LYS+ 99 4.167% * 0.3826% (0.12 1.00 0.83 0.57) = 0.383% T HB VAL 41 - QE LYS+ 99 4.167% * 0.1541% (0.20 10.00 0.02 0.02) = 0.154% QB LYS+ 65 - QE LYS+ 102 4.167% * 0.0731% (0.97 1.00 0.02 0.02) = 0.073% HB2 LEU 71 - QE LYS+ 102 4.167% * 0.0714% (0.95 1.00 0.02 0.02) = 0.071% HG2 PRO 93 - QE LYS+ 102 4.167% * 0.0670% (0.89 1.00 0.02 0.02) = 0.067% T HB VAL 41 - QE LYS+ 38 4.167% * 0.0589% (0.08 10.00 0.02 0.02) = 0.059% QB LYS+ 66 - QE LYS+ 102 4.167% * 0.0438% (0.58 1.00 0.02 0.02) = 0.044% QB LYS+ 65 - QE LYS+ 99 4.167% * 0.0422% (0.56 1.00 0.02 0.02) = 0.042% HB2 LEU 71 - QE LYS+ 99 4.167% * 0.0413% (0.55 1.00 0.02 0.02) = 0.041% HG2 PRO 93 - QE LYS+ 99 4.167% * 0.0387% (0.52 1.00 0.02 0.02) = 0.039% HB3 GLN 17 - QE LYS+ 102 4.167% * 0.0267% (0.35 1.00 0.02 0.02) = 0.027% QB LYS+ 66 - QE LYS+ 99 4.167% * 0.0253% (0.34 1.00 0.02 0.02) = 0.025% QB LYS+ 65 - QE LYS+ 38 4.167% * 0.0161% (0.21 1.00 0.02 0.02) = 0.016% HB2 LEU 71 - QE LYS+ 38 4.167% * 0.0158% (0.21 1.00 0.02 0.02) = 0.016% HB3 GLN 17 - QE LYS+ 99 4.167% * 0.0154% (0.20 1.00 0.02 0.02) = 0.015% HG2 PRO 93 - QE LYS+ 38 4.167% * 0.0148% (0.20 1.00 0.02 0.02) = 0.015% QB LYS+ 66 - QE LYS+ 38 4.167% * 0.0097% (0.13 1.00 0.02 0.02) = 0.010% HB3 GLN 17 - QE LYS+ 38 4.167% * 0.0059% (0.08 1.00 0.02 0.02) = 0.006% HG12 ILE 103 - QE LYS+ 38 4.167% * 0.0035% (0.05 1.00 0.02 0.02) = 0.004% Peak 1246 (1.45, 3.02, 42.50 ppm): 33 chemical-shift based assignments, quality = 0.848, support = 3.34, residual support = 90.5: * O T HG2 LYS+ 102 - QE LYS+ 102 3.030% * 71.1694% (1.00 10.0 10.00 4.33 126.90) = 71.169% kept T HG2 LYS+ 102 - QE LYS+ 99 3.030% * 18.0147% (0.58 1.0 10.00 0.88 0.45) = 18.015% kept T HG2 LYS+ 102 - QE LYS+ 38 3.030% * 6.9338% (0.22 1.0 10.00 0.88 0.59) = 6.934% kept HG LEU 40 - QE LYS+ 99 3.030% * 2.1268% (0.42 1.0 1.00 1.42 4.82) = 2.127% kept HG LEU 40 - QE LYS+ 102 3.030% * 1.1543% (0.73 1.0 1.00 0.45 0.02) = 1.154% kept HG LEU 73 - QE LYS+ 102 3.030% * 0.0691% (0.97 1.0 1.00 0.02 0.02) = 0.069% QG LYS+ 66 - QE LYS+ 102 3.030% * 0.0580% (0.81 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 115 - QE LYS+ 102 3.030% * 0.0517% (0.73 1.0 1.00 0.02 0.02) = 0.052% HB3 LEU 67 - QE LYS+ 102 3.030% * 0.0414% (0.58 1.0 1.00 0.02 0.02) = 0.041% HG LEU 67 - QE LYS+ 102 3.030% * 0.0414% (0.58 1.0 1.00 0.02 0.02) = 0.041% HG LEU 73 - QE LYS+ 99 3.030% * 0.0400% (0.56 1.0 1.00 0.02 0.02) = 0.040% QG LYS+ 66 - QE LYS+ 99 3.030% * 0.0335% (0.47 1.0 1.00 0.02 0.02) = 0.034% HB3 LEU 115 - QE LYS+ 99 3.030% * 0.0299% (0.42 1.0 1.00 0.02 0.02) = 0.030% QB ALA 61 - QE LYS+ 102 3.030% * 0.0282% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 67 - QE LYS+ 99 3.030% * 0.0240% (0.34 1.0 1.00 0.02 0.02) = 0.024% HG LEU 67 - QE LYS+ 99 3.030% * 0.0240% (0.34 1.0 1.00 0.02 0.02) = 0.024% QB ALA 61 - QE LYS+ 99 3.030% * 0.0163% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG LEU 73 - QE LYS+ 38 3.030% * 0.0153% (0.21 1.0 1.00 0.02 0.02) = 0.015% HG LEU 80 - QE LYS+ 102 3.030% * 0.0151% (0.21 1.0 1.00 0.02 0.02) = 0.015% QB ALA 110 - QE LYS+ 102 3.030% * 0.0131% (0.18 1.0 1.00 0.02 0.02) = 0.013% QG LYS+ 66 - QE LYS+ 38 3.030% * 0.0128% (0.18 1.0 1.00 0.02 0.02) = 0.013% HG LEU 40 - QE LYS+ 38 3.030% * 0.0114% (0.16 1.0 1.00 0.02 1.47) = 0.011% HB3 LEU 115 - QE LYS+ 38 3.030% * 0.0114% (0.16 1.0 1.00 0.02 0.02) = 0.011% HG12 ILE 19 - QE LYS+ 102 3.030% * 0.0096% (0.14 1.0 1.00 0.02 3.31) = 0.010% HB3 LEU 67 - QE LYS+ 38 3.030% * 0.0092% (0.13 1.0 1.00 0.02 0.02) = 0.009% HG LEU 67 - QE LYS+ 38 3.030% * 0.0092% (0.13 1.0 1.00 0.02 0.02) = 0.009% HG LEU 80 - QE LYS+ 99 3.030% * 0.0087% (0.12 1.0 1.00 0.02 0.10) = 0.009% QB ALA 110 - QE LYS+ 99 3.030% * 0.0076% (0.11 1.0 1.00 0.02 0.02) = 0.008% QB ALA 61 - QE LYS+ 38 3.030% * 0.0062% (0.09 1.0 1.00 0.02 0.02) = 0.006% HG12 ILE 19 - QE LYS+ 99 3.030% * 0.0056% (0.08 1.0 1.00 0.02 0.02) = 0.006% HG LEU 80 - QE LYS+ 38 3.030% * 0.0033% (0.05 1.0 1.00 0.02 0.02) = 0.003% QB ALA 110 - QE LYS+ 38 3.030% * 0.0029% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 19 - QE LYS+ 38 3.030% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1247 (1.38, 3.02, 42.50 ppm): 36 chemical-shift based assignments, quality = 0.868, support = 3.26, residual support = 97.8: * O T HG3 LYS+ 102 - QE LYS+ 102 2.778% * 76.8447% (1.00 10.0 10.00 4.00 126.90) = 76.845% kept T HG3 LYS+ 102 - QE LYS+ 99 2.778% * 16.8135% (0.58 1.0 10.00 0.76 0.45) = 16.813% kept QB LEU 98 - QE LYS+ 99 2.778% * 1.6864% (0.12 1.0 1.00 3.57 14.84) = 1.686% kept T HG3 LYS+ 65 - QE LYS+ 102 2.778% * 0.7466% (0.97 1.0 10.00 0.02 0.02) = 0.747% T HG3 LYS+ 106 - QE LYS+ 102 2.778% * 0.7094% (0.92 1.0 10.00 0.02 0.02) = 0.709% T HG3 LYS+ 33 - QE LYS+ 102 2.778% * 0.7094% (0.92 1.0 10.00 0.02 0.02) = 0.709% T HG3 LYS+ 65 - QE LYS+ 99 2.778% * 0.4316% (0.56 1.0 10.00 0.02 0.02) = 0.432% T HG3 LYS+ 106 - QE LYS+ 99 2.778% * 0.4101% (0.53 1.0 10.00 0.02 0.02) = 0.410% T HG3 LYS+ 33 - QE LYS+ 99 2.778% * 0.4101% (0.53 1.0 10.00 0.02 0.02) = 0.410% T HG3 LYS+ 102 - QE LYS+ 38 2.778% * 0.1698% (0.22 1.0 10.00 0.02 0.59) = 0.170% T HG3 LYS+ 65 - QE LYS+ 38 2.778% * 0.1650% (0.21 1.0 10.00 0.02 0.02) = 0.165% T HG3 LYS+ 106 - QE LYS+ 38 2.778% * 0.1568% (0.20 1.0 10.00 0.02 0.02) = 0.157% T HG3 LYS+ 33 - QE LYS+ 38 2.778% * 0.1568% (0.20 1.0 10.00 0.02 0.02) = 0.157% HB3 LEU 73 - QE LYS+ 102 2.778% * 0.0766% (1.00 1.0 1.00 0.02 0.02) = 0.077% HB2 LYS+ 112 - QE LYS+ 102 2.778% * 0.0759% (0.99 1.0 1.00 0.02 0.02) = 0.076% HB VAL 42 - QE LYS+ 102 2.778% * 0.0747% (0.97 1.0 1.00 0.02 0.02) = 0.075% HB3 LEU 73 - QE LYS+ 99 2.778% * 0.0443% (0.58 1.0 1.00 0.02 0.02) = 0.044% HB2 LYS+ 112 - QE LYS+ 99 2.778% * 0.0439% (0.57 1.0 1.00 0.02 0.02) = 0.044% HB VAL 42 - QE LYS+ 99 2.778% * 0.0432% (0.56 1.0 1.00 0.02 0.02) = 0.043% QB ALA 12 - QE LYS+ 102 2.778% * 0.0374% (0.49 1.0 1.00 0.02 0.02) = 0.037% QB ALA 12 - QE LYS+ 99 2.778% * 0.0216% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - QE LYS+ 102 2.778% * 0.0214% (0.28 1.0 1.00 0.02 0.02) = 0.021% QB ALA 84 - QE LYS+ 102 2.778% * 0.0187% (0.24 1.0 1.00 0.02 0.02) = 0.019% HB3 LEU 73 - QE LYS+ 38 2.778% * 0.0169% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 112 - QE LYS+ 38 2.778% * 0.0168% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB VAL 42 - QE LYS+ 38 2.778% * 0.0165% (0.21 1.0 1.00 0.02 0.02) = 0.016% QB LEU 98 - QE LYS+ 102 2.778% * 0.0163% (0.21 1.0 1.00 0.02 0.17) = 0.016% HB3 PRO 93 - QE LYS+ 99 2.778% * 0.0124% (0.16 1.0 1.00 0.02 0.02) = 0.012% HG LEU 98 - QE LYS+ 102 2.778% * 0.0122% (0.16 1.0 1.00 0.02 0.17) = 0.012% QB ALA 84 - QE LYS+ 99 2.778% * 0.0108% (0.14 1.0 1.00 0.02 0.02) = 0.011% QB ALA 12 - QE LYS+ 38 2.778% * 0.0083% (0.11 1.0 1.00 0.02 0.02) = 0.008% HG LEU 98 - QE LYS+ 99 2.778% * 0.0070% (0.09 1.0 1.00 0.02 14.84) = 0.007% HB3 PRO 93 - QE LYS+ 38 2.778% * 0.0047% (0.06 1.0 1.00 0.02 0.02) = 0.005% QB ALA 84 - QE LYS+ 38 2.778% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB LEU 98 - QE LYS+ 38 2.778% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG LEU 98 - QE LYS+ 38 2.778% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1248 (1.68, 3.02, 42.50 ppm): 30 chemical-shift based assignments, quality = 0.815, support = 3.35, residual support = 110.5: * O T QD LYS+ 102 - QE LYS+ 102 3.333% * 69.9660% (1.00 10.0 10.00 4.00 126.90) = 69.966% kept T QD LYS+ 102 - QE LYS+ 99 3.333% * 16.8480% (0.58 1.0 10.00 0.83 0.45) = 16.848% kept O QD LYS+ 38 - QE LYS+ 38 3.333% * 11.2274% (0.16 10.0 1.00 3.63 192.34) = 11.227% kept T HD2 LYS+ 111 - QE LYS+ 102 3.333% * 0.4074% (0.58 1.0 10.00 0.02 0.02) = 0.407% T QD LYS+ 65 - QE LYS+ 102 3.333% * 0.3084% (0.44 1.0 10.00 0.02 0.02) = 0.308% T HD2 LYS+ 111 - QE LYS+ 99 3.333% * 0.2355% (0.34 1.0 10.00 0.02 0.02) = 0.236% T QD LYS+ 65 - QE LYS+ 99 3.333% * 0.1783% (0.25 1.0 10.00 0.02 0.02) = 0.178% T QD LYS+ 102 - QE LYS+ 38 3.333% * 0.1546% (0.22 1.0 10.00 0.02 0.59) = 0.155% T HD2 LYS+ 111 - QE LYS+ 38 3.333% * 0.0900% (0.13 1.0 10.00 0.02 0.02) = 0.090% T QD LYS+ 65 - QE LYS+ 38 3.333% * 0.0682% (0.10 1.0 10.00 0.02 0.02) = 0.068% HG3 PRO 93 - QE LYS+ 102 3.333% * 0.0646% (0.92 1.0 1.00 0.02 0.02) = 0.065% HB2 LEU 123 - QE LYS+ 102 3.333% * 0.0624% (0.89 1.0 1.00 0.02 0.02) = 0.062% QD LYS+ 38 - QE LYS+ 102 3.333% * 0.0508% (0.73 1.0 1.00 0.02 0.59) = 0.051% HB VAL 83 - QE LYS+ 102 3.333% * 0.0374% (0.53 1.0 1.00 0.02 0.02) = 0.037% HG3 PRO 93 - QE LYS+ 99 3.333% * 0.0373% (0.53 1.0 1.00 0.02 0.02) = 0.037% HB2 LEU 123 - QE LYS+ 99 3.333% * 0.0360% (0.52 1.0 1.00 0.02 0.02) = 0.036% HB3 MET 92 - QE LYS+ 102 3.333% * 0.0308% (0.44 1.0 1.00 0.02 0.02) = 0.031% QD LYS+ 38 - QE LYS+ 99 3.333% * 0.0294% (0.42 1.0 1.00 0.02 0.73) = 0.029% HB2 LYS+ 121 - QE LYS+ 102 3.333% * 0.0277% (0.40 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - QE LYS+ 99 3.333% * 0.0216% (0.31 1.0 1.00 0.02 0.02) = 0.022% HB2 LEU 73 - QE LYS+ 102 3.333% * 0.0195% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 92 - QE LYS+ 99 3.333% * 0.0178% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 121 - QE LYS+ 99 3.333% * 0.0160% (0.23 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 93 - QE LYS+ 38 3.333% * 0.0143% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 123 - QE LYS+ 38 3.333% * 0.0138% (0.20 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 73 - QE LYS+ 99 3.333% * 0.0112% (0.16 1.0 1.00 0.02 0.02) = 0.011% HB VAL 83 - QE LYS+ 38 3.333% * 0.0083% (0.12 1.0 1.00 0.02 0.02) = 0.008% HB3 MET 92 - QE LYS+ 38 3.333% * 0.0068% (0.10 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 121 - QE LYS+ 38 3.333% * 0.0061% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 73 - QE LYS+ 38 3.333% * 0.0043% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 1249 (3.02, 3.02, 42.50 ppm): 3 diagonal assignments: * QE LYS+ 102 - QE LYS+ 102 (1.00) kept QE LYS+ 99 - QE LYS+ 99 (0.34) kept QE LYS+ 38 - QE LYS+ 38 (0.20) kept Peak 1250 (4.28, 4.28, 62.30 ppm): 2 diagonal assignments: * HA ILE 103 - HA ILE 103 (1.00) kept HA THR 39 - HA THR 39 (0.18) kept Peak 1251 (1.86, 4.28, 62.30 ppm): 24 chemical-shift based assignments, quality = 0.984, support = 4.55, residual support = 118.5: * O T HB ILE 103 - HA ILE 103 4.167% * 96.8652% (1.00 10.0 10.00 4.69 122.30) = 96.865% kept HB3 ASP- 105 - HA ILE 103 4.167% * 1.5672% (0.99 1.0 1.00 0.33 1.31) = 1.567% kept QB LYS+ 106 - HA ILE 103 4.167% * 0.5590% (0.73 1.0 1.00 0.16 0.02) = 0.559% T HB ILE 103 - HA THR 39 4.167% * 0.2780% (0.29 1.0 10.00 0.02 0.02) = 0.278% HG3 PRO 68 - HA ILE 103 4.167% * 0.0966% (1.00 1.0 1.00 0.02 0.02) = 0.097% HG2 ARG+ 54 - HA ILE 103 4.167% * 0.0966% (1.00 1.0 1.00 0.02 0.02) = 0.097% QB LYS+ 33 - HA ILE 103 4.167% * 0.0894% (0.92 1.0 1.00 0.02 0.02) = 0.089% HB3 GLN 90 - HA ILE 103 4.167% * 0.0828% (0.85 1.0 1.00 0.02 0.86) = 0.083% QB LYS+ 81 - HA ILE 103 4.167% * 0.0747% (0.77 1.0 1.00 0.02 0.02) = 0.075% HG3 PRO 68 - HA THR 39 4.167% * 0.0277% (0.29 1.0 1.00 0.02 0.02) = 0.028% HG2 ARG+ 54 - HA THR 39 4.167% * 0.0277% (0.29 1.0 1.00 0.02 0.16) = 0.028% HB3 ASP- 105 - HA THR 39 4.167% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG LEU 123 - HA ILE 103 4.167% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 52 - HA ILE 103 4.167% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB LYS+ 33 - HA THR 39 4.167% * 0.0257% (0.26 1.0 1.00 0.02 0.02) = 0.026% HB3 GLN 90 - HA THR 39 4.167% * 0.0238% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB ILE 56 - HA ILE 103 4.167% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QB LYS+ 81 - HA THR 39 4.167% * 0.0215% (0.22 1.0 1.00 0.02 0.02) = 0.021% QB LYS+ 106 - HA THR 39 4.167% * 0.0202% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 38 - HA ILE 103 4.167% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% HG LEU 123 - HA THR 39 4.167% * 0.0077% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 PRO 52 - HA THR 39 4.167% * 0.0077% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB ILE 56 - HA THR 39 4.167% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - HA THR 39 4.167% * 0.0038% (0.04 1.0 1.00 0.02 21.30) = 0.004% Peak 1252 (0.98, 4.28, 62.30 ppm): 16 chemical-shift based assignments, quality = 0.804, support = 5.75, residual support = 114.6: * O T QG2 ILE 103 - HA ILE 103 6.250% * 70.8853% (1.00 10.0 10.00 6.27 122.30) = 70.885% kept T QD1 ILE 103 - HA ILE 103 6.250% * 22.3285% (0.31 1.0 10.00 5.39 122.30) = 22.328% kept QD2 LEU 40 - HA THR 39 6.250% * 2.9565% (0.27 1.0 1.00 3.06 21.52) = 2.957% kept T QD1 ILE 103 - HA THR 39 6.250% * 1.6014% (0.09 1.0 10.00 0.50 0.02) = 1.601% kept QD2 LEU 40 - HA ILE 103 6.250% * 1.5760% (0.95 1.0 1.00 0.47 0.02) = 1.576% kept T QG2 ILE 103 - HA THR 39 6.250% * 0.2034% (0.29 1.0 10.00 0.02 0.02) = 0.203% QG2 ILE 119 - HA ILE 103 6.250% * 0.2028% (0.16 1.0 1.00 0.36 0.02) = 0.203% HG3 LYS+ 74 - HA ILE 103 6.250% * 0.0689% (0.97 1.0 1.00 0.02 0.02) = 0.069% QD1 LEU 67 - HA ILE 103 6.250% * 0.0689% (0.97 1.0 1.00 0.02 0.02) = 0.069% QD2 LEU 71 - HA ILE 103 6.250% * 0.0312% (0.44 1.0 1.00 0.02 0.02) = 0.031% QD1 LEU 67 - HA THR 39 6.250% * 0.0198% (0.28 1.0 1.00 0.02 0.02) = 0.020% HG3 LYS+ 74 - HA THR 39 6.250% * 0.0198% (0.28 1.0 1.00 0.02 0.02) = 0.020% HB VAL 75 - HA ILE 103 6.250% * 0.0197% (0.28 1.0 1.00 0.02 0.02) = 0.020% QD2 LEU 71 - HA THR 39 6.250% * 0.0090% (0.13 1.0 1.00 0.02 0.02) = 0.009% HB VAL 75 - HA THR 39 6.250% * 0.0057% (0.08 1.0 1.00 0.02 0.02) = 0.006% QG2 ILE 119 - HA THR 39 6.250% * 0.0032% (0.05 1.0 1.00 0.02 0.02) = 0.003% Peak 1253 (0.96, 4.28, 62.30 ppm): 8 chemical-shift based assignments, quality = 0.85, support = 4.97, residual support = 111.8: * T QD1 ILE 103 - HA ILE 103 12.500% * 91.4345% (0.89 10.00 5.39 122.30) = 91.435% kept T QD1 ILE 103 - HA THR 39 12.500% * 6.5577% (0.26 10.00 0.50 0.02) = 6.558% kept QG2 ILE 119 - HA ILE 103 12.500% * 1.8484% (1.00 1.00 0.36 0.02) = 1.848% kept QD2 LEU 71 - HA ILE 103 12.500% * 0.0792% (0.77 1.00 0.02 0.02) = 0.079% QG2 ILE 119 - HA THR 39 12.500% * 0.0294% (0.29 1.00 0.02 0.02) = 0.029% QD2 LEU 71 - HA THR 39 12.500% * 0.0227% (0.22 1.00 0.02 0.02) = 0.023% HG3 LYS+ 74 - HA ILE 103 12.500% * 0.0218% (0.21 1.00 0.02 0.02) = 0.022% HG3 LYS+ 74 - HA THR 39 12.500% * 0.0063% (0.06 1.00 0.02 0.02) = 0.006% Peak 1254 (4.28, 1.86, 38.31 ppm): 11 chemical-shift based assignments, quality = 0.988, support = 4.63, residual support = 120.9: * O T HA ILE 103 - HB ILE 103 9.091% * 98.8333% (1.00 10.0 10.00 4.69 122.30) = 98.833% kept T HA THR 39 - HB ILE 103 9.091% * 0.6234% (0.63 1.0 10.00 0.02 0.02) = 0.623% HA SER 85 - HB ILE 103 9.091% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB THR 77 - HB ILE 103 9.091% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA ASP- 44 - HB ILE 103 9.091% * 0.0912% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA MET 11 - HB ILE 103 9.091% * 0.0881% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 79 - HB ILE 103 9.091% * 0.0718% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA1 GLY 51 - HB ILE 103 9.091% * 0.0481% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA ALA 57 - HB ILE 103 9.091% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA ALA 12 - HB ILE 103 9.091% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA ASP- 86 - HB ILE 103 9.091% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1255 (1.86, 1.86, 38.31 ppm): 1 diagonal assignment: * HB ILE 103 - HB ILE 103 (1.00) kept Peak 1256 (0.98, 1.86, 38.31 ppm): 8 chemical-shift based assignments, quality = 0.826, support = 4.9, residual support = 120.9: * O T QG2 ILE 103 - HB ILE 103 12.500% * 75.1666% (1.00 10.0 10.00 4.88 122.30) = 75.167% kept O T QD1 ILE 103 - HB ILE 103 12.500% * 23.6771% (0.31 10.0 10.00 5.22 122.30) = 23.677% kept QD2 LEU 40 - HB ILE 103 12.500% * 0.7364% (0.95 1.0 1.00 0.21 0.02) = 0.736% QG2 ILE 119 - HB ILE 103 12.500% * 0.2199% (0.16 1.0 1.00 0.37 0.02) = 0.220% QD1 LEU 67 - HB ILE 103 12.500% * 0.0730% (0.97 1.0 1.00 0.02 0.02) = 0.073% HG3 LYS+ 74 - HB ILE 103 12.500% * 0.0730% (0.97 1.0 1.00 0.02 0.02) = 0.073% QD2 LEU 71 - HB ILE 103 12.500% * 0.0331% (0.44 1.0 1.00 0.02 0.02) = 0.033% HB VAL 75 - HB ILE 103 12.500% * 0.0209% (0.28 1.0 1.00 0.02 0.02) = 0.021% Peak 1257 (0.96, 1.86, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.892, support = 5.11, residual support = 119.7: * O T QD1 ILE 103 - HB ILE 103 25.000% * 97.8694% (0.89 10.0 10.00 5.22 122.30) = 97.869% kept QG2 ILE 119 - HB ILE 103 25.000% * 2.0225% (1.00 1.0 1.00 0.37 0.02) = 2.022% kept QD2 LEU 71 - HB ILE 103 25.000% * 0.0847% (0.77 1.0 1.00 0.02 0.02) = 0.085% HG3 LYS+ 74 - HB ILE 103 25.000% * 0.0233% (0.21 1.0 1.00 0.02 0.02) = 0.023% Peak 1258 (4.28, 0.98, 18.17 ppm): 11 chemical-shift based assignments, quality = 0.988, support = 6.2, residual support = 120.9: * O T HA ILE 103 - QG2 ILE 103 9.091% * 98.8333% (1.00 10.0 10.00 6.27 122.30) = 98.833% kept T HA THR 39 - QG2 ILE 103 9.091% * 0.6234% (0.63 1.0 10.00 0.02 0.02) = 0.623% HA SER 85 - QG2 ILE 103 9.091% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB THR 77 - QG2 ILE 103 9.091% * 0.0960% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA ASP- 44 - QG2 ILE 103 9.091% * 0.0912% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA MET 11 - QG2 ILE 103 9.091% * 0.0881% (0.89 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 79 - QG2 ILE 103 9.091% * 0.0718% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA1 GLY 51 - QG2 ILE 103 9.091% * 0.0481% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA ALA 57 - QG2 ILE 103 9.091% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA ALA 12 - QG2 ILE 103 9.091% * 0.0182% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA ASP- 86 - QG2 ILE 103 9.091% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1259 (1.86, 0.98, 18.17 ppm): 12 chemical-shift based assignments, quality = 0.989, support = 4.56, residual support = 113.3: * O T HB ILE 103 - QG2 ILE 103 8.333% * 92.5750% (1.00 10.0 10.00 4.88 122.30) = 92.575% kept HB3 ASP- 105 - QG2 ILE 103 8.333% * 4.2344% (0.99 1.0 1.00 0.93 1.31) = 4.234% kept QB LYS+ 106 - QG2 ILE 103 8.333% * 1.4195% (0.73 1.0 1.00 0.42 0.02) = 1.419% kept HB3 GLN 90 - QG2 ILE 103 8.333% * 1.3431% (0.85 1.0 1.00 0.34 0.86) = 1.343% kept HG3 PRO 68 - QG2 ILE 103 8.333% * 0.0923% (1.00 1.0 1.00 0.02 0.02) = 0.092% HG2 ARG+ 54 - QG2 ILE 103 8.333% * 0.0923% (1.00 1.0 1.00 0.02 0.02) = 0.092% QB LYS+ 33 - QG2 ILE 103 8.333% * 0.0855% (0.92 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 81 - QG2 ILE 103 8.333% * 0.0714% (0.77 1.0 1.00 0.02 0.02) = 0.071% HG LEU 123 - QG2 ILE 103 8.333% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 PRO 52 - QG2 ILE 103 8.333% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB ILE 56 - QG2 ILE 103 8.333% * 0.0226% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 38 - QG2 ILE 103 8.333% * 0.0125% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1260 (0.98, 0.98, 18.17 ppm): 1 diagonal assignment: * QG2 ILE 103 - QG2 ILE 103 (1.00) kept Peak 1261 (0.96, 0.98, 18.17 ppm): 4 chemical-shift based assignments, quality = 0.909, support = 4.39, residual support = 92.6: * T QD1 ILE 103 - QG2 ILE 103 25.000% * 75.6744% (0.89 10.00 5.63 122.30) = 75.674% kept T QG2 ILE 119 - QG2 ILE 103 25.000% * 23.4899% (1.00 10.00 0.56 0.02) = 23.490% kept T QD2 LEU 71 - QG2 ILE 103 25.000% * 0.6553% (0.77 10.00 0.02 0.02) = 0.655% T HG3 LYS+ 74 - QG2 ILE 103 25.000% * 0.1804% (0.21 10.00 0.02 0.02) = 0.180% Peak 1262 (4.28, 0.96, 13.94 ppm): 11 chemical-shift based assignments, quality = 0.838, support = 4.68, residual support = 104.7: * T HA ILE 103 - QD1 ILE 103 9.091% * 85.5689% (0.89 10.00 5.39 122.30) = 85.569% kept T HA THR 39 - QD1 ILE 103 9.091% * 13.4888% (0.56 10.00 0.50 0.02) = 13.489% kept HA ASP- 86 - QD1 ILE 103 9.091% * 0.4855% (0.14 1.00 0.72 0.02) = 0.485% HA SER 85 - QD1 ILE 103 9.091% * 0.0831% (0.87 1.00 0.02 0.02) = 0.083% HB THR 77 - QD1 ILE 103 9.091% * 0.0831% (0.87 1.00 0.02 0.02) = 0.083% HA ASP- 44 - QD1 ILE 103 9.091% * 0.0790% (0.82 1.00 0.02 0.02) = 0.079% HA MET 11 - QD1 ILE 103 9.091% * 0.0763% (0.79 1.00 0.02 0.02) = 0.076% HA GLU- 79 - QD1 ILE 103 9.091% * 0.0621% (0.65 1.00 0.02 0.02) = 0.062% HA1 GLY 51 - QD1 ILE 103 9.091% * 0.0417% (0.43 1.00 0.02 0.02) = 0.042% HA ALA 57 - QD1 ILE 103 9.091% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% HA ALA 12 - QD1 ILE 103 9.091% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% Peak 1263 (1.86, 0.96, 13.94 ppm): 12 chemical-shift based assignments, quality = 0.879, support = 5.07, residual support = 118.7: * O T HB ILE 103 - QD1 ILE 103 8.333% * 97.0503% (0.89 10.0 10.00 5.22 122.30) = 97.050% kept HB3 GLN 90 - QD1 ILE 103 8.333% * 1.8451% (0.76 1.0 1.00 0.44 0.86) = 1.845% kept QB LYS+ 106 - QD1 ILE 103 8.333% * 0.5601% (0.65 1.0 1.00 0.16 0.02) = 0.560% HG3 PRO 68 - QD1 ILE 103 8.333% * 0.0967% (0.89 1.0 1.00 0.02 0.02) = 0.097% HG2 ARG+ 54 - QD1 ILE 103 8.333% * 0.0967% (0.89 1.0 1.00 0.02 0.02) = 0.097% HB3 ASP- 105 - QD1 ILE 103 8.333% * 0.0958% (0.88 1.0 1.00 0.02 1.31) = 0.096% QB LYS+ 33 - QD1 ILE 103 8.333% * 0.0896% (0.82 1.0 1.00 0.02 0.02) = 0.090% QB LYS+ 81 - QD1 ILE 103 8.333% * 0.0749% (0.69 1.0 1.00 0.02 0.02) = 0.075% HG LEU 123 - QD1 ILE 103 8.333% * 0.0270% (0.25 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 52 - QD1 ILE 103 8.333% * 0.0270% (0.25 1.0 1.00 0.02 0.02) = 0.027% HB ILE 56 - QD1 ILE 103 8.333% * 0.0237% (0.22 1.0 1.00 0.02 0.02) = 0.024% HB3 LYS+ 38 - QD1 ILE 103 8.333% * 0.0131% (0.12 1.0 1.00 0.02 0.02) = 0.013% Peak 1264 (0.98, 0.96, 13.94 ppm): 1 diagonal assignment: QD1 ILE 103 - QD1 ILE 103 (0.28) kept Reference assignment not found: QG2 ILE 103 - QD1 ILE 103 Peak 1265 (0.96, 0.96, 13.94 ppm): 1 diagonal assignment: * QD1 ILE 103 - QD1 ILE 103 (0.79) kept Peak 1266 (4.32, 4.32, 55.17 ppm): 1 diagonal assignment: * HA LEU 104 - HA LEU 104 (0.99) kept Peak 1267 (1.04, 4.32, 55.17 ppm): 4 chemical-shift based assignments, quality = 0.803, support = 6.13, residual support = 173.2: * O T HB2 LEU 104 - HA LEU 104 25.000% * 97.6728% (0.81 10.0 10.00 6.25 177.31) = 97.673% kept QD1 ILE 119 - HA LEU 104 25.000% * 2.1658% (0.44 1.0 1.00 0.82 1.51) = 2.166% kept QG2 VAL 108 - HA LEU 104 25.000% * 0.1139% (0.95 1.0 1.00 0.02 0.02) = 0.114% HG3 LYS+ 112 - HA LEU 104 25.000% * 0.0475% (0.40 1.0 1.00 0.02 0.02) = 0.048% Peak 1268 (0.86, 4.32, 55.17 ppm): 6 chemical-shift based assignments, quality = 0.668, support = 5.49, residual support = 174.2: * O T HB3 LEU 104 - HA LEU 104 16.667% * 98.2444% (0.68 10.0 10.00 5.58 177.31) = 98.244% kept HB3 LEU 63 - HA LEU 104 16.667% * 1.2087% (0.28 1.0 1.00 0.60 0.02) = 1.209% kept QD1 LEU 71 - HA LEU 104 16.667% * 0.1429% (0.98 1.0 1.00 0.02 0.02) = 0.143% QD1 LEU 123 - HA LEU 104 16.667% * 0.1429% (0.98 1.0 1.00 0.02 0.02) = 0.143% QG1 VAL 70 - HA LEU 104 16.667% * 0.1375% (0.95 1.0 1.00 0.02 0.02) = 0.137% QG1 VAL 18 - HA LEU 104 16.667% * 0.1237% (0.85 1.0 1.00 0.02 0.02) = 0.124% Peak 1269 (1.53, 4.32, 55.17 ppm): 7 chemical-shift based assignments, quality = 0.993, support = 5.73, residual support = 174.8: * O T HG LEU 104 - HA LEU 104 14.286% * 98.5741% (1.00 10.0 10.00 5.81 177.31) = 98.574% kept HD3 LYS+ 74 - HA LEU 104 14.286% * 1.1320% (0.95 1.0 1.00 0.24 0.18) = 1.132% kept HB3 LYS+ 121 - HA LEU 104 14.286% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - HA LEU 104 14.286% * 0.0958% (0.97 1.0 1.00 0.02 0.02) = 0.096% QD LYS+ 66 - HA LEU 104 14.286% * 0.0574% (0.58 1.0 1.00 0.02 0.02) = 0.057% HG2 LYS+ 33 - HA LEU 104 14.286% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 121 - HA LEU 104 14.286% * 0.0181% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1270 (0.60, 4.32, 55.17 ppm): 6 chemical-shift based assignments, quality = 0.846, support = 4.84, residual support = 150.8: * T QD1 LEU 104 - HA LEU 104 16.667% * 85.0583% (0.95 10.00 5.56 177.31) = 85.058% kept T QD1 LEU 63 - HA LEU 104 16.667% * 10.6212% (0.28 10.00 0.85 0.02) = 10.621% kept T QD1 LEU 73 - HA LEU 104 16.667% * 4.1217% (0.28 10.00 0.33 0.02) = 4.122% kept QG1 VAL 83 - HA LEU 104 16.667% * 0.0729% (0.81 1.00 0.02 0.02) = 0.073% QD2 LEU 80 - HA LEU 104 16.667% * 0.0650% (0.72 1.00 0.02 0.02) = 0.065% QD2 LEU 115 - HA LEU 104 16.667% * 0.0608% (0.68 1.00 0.02 0.02) = 0.061% Peak 1271 (0.73, 4.32, 55.17 ppm): 6 chemical-shift based assignments, quality = 0.863, support = 5.2, residual support = 150.1: * T QD2 LEU 104 - HA LEU 104 16.667% * 83.7475% (1.00 10.00 5.65 177.31) = 83.748% kept T QD1 LEU 98 - HA LEU 104 16.667% * 15.4098% (0.18 10.00 3.05 10.38) = 15.410% kept QD1 ILE 19 - HA LEU 104 16.667% * 0.4069% (0.95 1.00 0.10 0.02) = 0.407% T QG2 VAL 18 - HA LEU 104 16.667% * 0.3691% (0.44 10.00 0.02 0.02) = 0.369% QG2 THR 46 - HA LEU 104 16.667% * 0.0488% (0.58 1.00 0.02 0.02) = 0.049% QG1 VAL 43 - HA LEU 104 16.667% * 0.0178% (0.21 1.00 0.02 0.27) = 0.018% Peak 1272 (4.32, 1.04, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 6.24, residual support = 176.9: * O T HA LEU 104 - HB2 LEU 104 20.000% * 99.7887% (0.81 10.0 10.00 6.25 177.31) = 99.789% kept HA GLU- 14 - HB2 LEU 104 20.000% * 0.0680% (0.55 1.0 1.00 0.02 0.02) = 0.068% HA ASP- 86 - HB2 LEU 104 20.000% * 0.0583% (0.47 1.0 1.00 0.02 0.02) = 0.058% HA ALA 12 - HB2 LEU 104 20.000% * 0.0535% (0.44 1.0 1.00 0.02 0.02) = 0.053% HA TRP 87 - HB2 LEU 104 20.000% * 0.0315% (0.26 1.0 1.00 0.02 0.02) = 0.032% Peak 1273 (1.04, 1.04, 43.48 ppm): 1 diagonal assignment: * HB2 LEU 104 - HB2 LEU 104 (0.66) kept Peak 1274 (0.86, 1.04, 43.48 ppm): 6 chemical-shift based assignments, quality = 0.55, support = 5.28, residual support = 176.3: * O T HB3 LEU 104 - HB2 LEU 104 16.667% * 99.4059% (0.55 10.0 10.00 5.31 177.31) = 99.406% kept QD1 LEU 71 - HB2 LEU 104 16.667% * 0.1445% (0.80 1.0 1.00 0.02 0.02) = 0.145% QD1 LEU 123 - HB2 LEU 104 16.667% * 0.1445% (0.80 1.0 1.00 0.02 0.02) = 0.145% QG1 VAL 70 - HB2 LEU 104 16.667% * 0.1391% (0.77 1.0 1.00 0.02 0.02) = 0.139% QG1 VAL 18 - HB2 LEU 104 16.667% * 0.1252% (0.70 1.0 1.00 0.02 0.02) = 0.125% HB3 LEU 63 - HB2 LEU 104 16.667% * 0.0407% (0.23 1.0 1.00 0.02 0.02) = 0.041% Peak 1275 (1.53, 1.04, 43.48 ppm): 7 chemical-shift based assignments, quality = 0.812, support = 5.48, residual support = 174.8: * O T HG LEU 104 - HB2 LEU 104 14.286% * 98.5741% (0.81 10.0 10.00 5.55 177.31) = 98.574% kept HD3 LYS+ 74 - HB2 LEU 104 14.286% * 1.1320% (0.77 1.0 1.00 0.24 0.18) = 1.132% kept HB3 LYS+ 121 - HB2 LEU 104 14.286% * 0.0986% (0.81 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - HB2 LEU 104 14.286% * 0.0958% (0.79 1.0 1.00 0.02 0.02) = 0.096% QD LYS+ 66 - HB2 LEU 104 14.286% * 0.0574% (0.47 1.0 1.00 0.02 0.02) = 0.057% HG2 LYS+ 33 - HB2 LEU 104 14.286% * 0.0240% (0.20 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 121 - HB2 LEU 104 14.286% * 0.0181% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 1276 (0.60, 1.04, 43.48 ppm): 6 chemical-shift based assignments, quality = 0.7, support = 4.66, residual support = 153.3: * O T QD1 LEU 104 - HB2 LEU 104 16.667% * 86.4688% (0.77 10.0 10.00 5.30 177.31) = 86.469% kept T QD1 LEU 63 - HB2 LEU 104 16.667% * 9.1391% (0.23 1.0 10.00 0.72 0.02) = 9.139% kept T QD1 LEU 73 - HB2 LEU 104 16.667% * 4.1901% (0.23 1.0 10.00 0.33 0.02) = 4.190% kept QG1 VAL 83 - HB2 LEU 104 16.667% * 0.0742% (0.66 1.0 1.00 0.02 0.02) = 0.074% QD2 LEU 80 - HB2 LEU 104 16.667% * 0.0661% (0.59 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HB2 LEU 104 16.667% * 0.0618% (0.55 1.0 1.00 0.02 0.02) = 0.062% Peak 1277 (0.73, 1.04, 43.48 ppm): 6 chemical-shift based assignments, quality = 0.786, support = 5.28, residual support = 170.3: * O T QD2 LEU 104 - HB2 LEU 104 16.667% * 95.8412% (0.81 10.0 10.00 5.39 177.31) = 95.841% kept QD1 LEU 98 - HB2 LEU 104 16.667% * 3.1945% (0.15 1.0 1.00 3.62 10.38) = 3.195% kept QD1 ILE 19 - HB2 LEU 104 16.667% * 0.4657% (0.77 1.0 1.00 0.10 0.02) = 0.466% T QG2 VAL 18 - HB2 LEU 104 16.667% * 0.4225% (0.36 1.0 10.00 0.02 0.02) = 0.422% QG2 THR 46 - HB2 LEU 104 16.667% * 0.0558% (0.47 1.0 1.00 0.02 0.02) = 0.056% QG1 VAL 43 - HB2 LEU 104 16.667% * 0.0204% (0.17 1.0 1.00 0.02 0.27) = 0.020% Peak 1278 (4.32, 0.86, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.675, support = 5.57, residual support = 176.9: * O T HA LEU 104 - HB3 LEU 104 20.000% * 99.7887% (0.68 10.0 10.00 5.58 177.31) = 99.789% kept HA GLU- 14 - HB3 LEU 104 20.000% * 0.0680% (0.46 1.0 1.00 0.02 0.02) = 0.068% HA ASP- 86 - HB3 LEU 104 20.000% * 0.0583% (0.40 1.0 1.00 0.02 0.02) = 0.058% HA ALA 12 - HB3 LEU 104 20.000% * 0.0535% (0.36 1.0 1.00 0.02 0.02) = 0.053% HA TRP 87 - HB3 LEU 104 20.000% * 0.0315% (0.21 1.0 1.00 0.02 0.02) = 0.032% Peak 1279 (1.04, 0.86, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.548, support = 5.22, residual support = 174.0: * O T HB2 LEU 104 - HB3 LEU 104 25.000% * 98.1123% (0.55 10.0 10.00 5.31 177.31) = 98.112% kept QD1 ILE 119 - HB3 LEU 104 25.000% * 1.7256% (0.30 1.0 1.00 0.65 1.51) = 1.726% kept QG2 VAL 108 - HB3 LEU 104 25.000% * 0.1144% (0.65 1.0 1.00 0.02 0.02) = 0.114% HG3 LYS+ 112 - HB3 LEU 104 25.000% * 0.0478% (0.27 1.0 1.00 0.02 0.02) = 0.048% Peak 1280 (0.86, 0.86, 43.48 ppm): 1 diagonal assignment: * HB3 LEU 104 - HB3 LEU 104 (0.46) kept Peak 1281 (1.53, 0.86, 43.48 ppm): 7 chemical-shift based assignments, quality = 0.677, support = 4.94, residual support = 168.1: * O T HG LEU 104 - HB3 LEU 104 14.286% * 94.7879% (0.68 10.0 10.00 5.17 177.31) = 94.788% kept HB3 LYS+ 121 - HB3 LEU 104 14.286% * 3.9358% (0.68 1.0 1.00 0.83 0.02) = 3.936% kept HD3 LYS+ 74 - HB3 LEU 104 14.286% * 1.0885% (0.65 1.0 1.00 0.24 0.18) = 1.089% kept HB3 LYS+ 111 - HB3 LEU 104 14.286% * 0.0921% (0.66 1.0 1.00 0.02 0.02) = 0.092% QD LYS+ 66 - HB3 LEU 104 14.286% * 0.0552% (0.40 1.0 1.00 0.02 0.02) = 0.055% HG2 LYS+ 33 - HB3 LEU 104 14.286% * 0.0231% (0.17 1.0 1.00 0.02 0.02) = 0.023% HD2 LYS+ 121 - HB3 LEU 104 14.286% * 0.0174% (0.12 1.0 1.00 0.02 0.02) = 0.017% Peak 1282 (0.60, 0.86, 43.48 ppm): 6 chemical-shift based assignments, quality = 0.583, support = 4.39, residual support = 153.3: * O T QD1 LEU 104 - HB3 LEU 104 16.667% * 86.4765% (0.65 10.0 10.00 4.98 177.31) = 86.477% kept T QD1 LEU 63 - HB3 LEU 104 16.667% * 9.1309% (0.19 1.0 10.00 0.72 0.02) = 9.131% kept T QD1 LEU 73 - HB3 LEU 104 16.667% * 4.1905% (0.19 1.0 10.00 0.33 0.02) = 4.190% kept QG1 VAL 83 - HB3 LEU 104 16.667% * 0.0742% (0.55 1.0 1.00 0.02 0.02) = 0.074% QD2 LEU 80 - HB3 LEU 104 16.667% * 0.0661% (0.49 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HB3 LEU 104 16.667% * 0.0618% (0.46 1.0 1.00 0.02 0.02) = 0.062% Peak 1283 (0.73, 0.86, 43.48 ppm): 6 chemical-shift based assignments, quality = 0.663, support = 4.97, residual support = 172.7: * O T QD2 LEU 104 - HB3 LEU 104 16.667% * 97.2754% (0.68 10.0 10.00 5.07 177.31) = 97.275% kept QD1 LEU 98 - HB3 LEU 104 16.667% * 1.7459% (0.12 1.0 1.00 1.95 10.38) = 1.746% kept QD1 ILE 19 - HB3 LEU 104 16.667% * 0.4726% (0.65 1.0 1.00 0.10 0.02) = 0.473% T QG2 VAL 18 - HB3 LEU 104 16.667% * 0.4288% (0.30 1.0 10.00 0.02 0.02) = 0.429% QG2 THR 46 - HB3 LEU 104 16.667% * 0.0566% (0.40 1.0 1.00 0.02 0.02) = 0.057% QG1 VAL 43 - HB3 LEU 104 16.667% * 0.0207% (0.14 1.0 1.00 0.02 0.27) = 0.021% Peak 1284 (4.32, 1.53, 26.82 ppm): 5 chemical-shift based assignments, quality = 0.995, support = 5.79, residual support = 176.9: * O T HA LEU 104 - HG LEU 104 20.000% * 99.7887% (1.00 10.0 10.00 5.81 177.31) = 99.789% kept HA GLU- 14 - HG LEU 104 20.000% * 0.0680% (0.68 1.0 1.00 0.02 0.02) = 0.068% HA ASP- 86 - HG LEU 104 20.000% * 0.0583% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ALA 12 - HG LEU 104 20.000% * 0.0535% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA TRP 87 - HG LEU 104 20.000% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.032% Peak 1285 (1.04, 1.53, 26.82 ppm): 4 chemical-shift based assignments, quality = 0.806, support = 5.45, residual support = 173.7: * O T HB2 LEU 104 - HG LEU 104 25.000% * 97.9494% (0.81 10.0 10.00 5.55 177.31) = 97.949% kept QD1 ILE 119 - HG LEU 104 25.000% * 1.8887% (0.44 1.0 1.00 0.71 1.51) = 1.889% kept QG2 VAL 108 - HG LEU 104 25.000% * 0.1142% (0.95 1.0 1.00 0.02 0.02) = 0.114% HG3 LYS+ 112 - HG LEU 104 25.000% * 0.0477% (0.40 1.0 1.00 0.02 0.02) = 0.048% Peak 1286 (0.86, 1.53, 26.82 ppm): 6 chemical-shift based assignments, quality = 0.683, support = 5.03, residual support = 172.2: * O T HB3 LEU 104 - HG LEU 104 16.667% * 97.1384% (0.68 10.0 10.00 5.17 177.31) = 97.138% kept QD1 LEU 123 - HG LEU 104 16.667% * 2.4223% (0.99 1.0 1.00 0.34 0.02) = 2.422% kept QD1 LEU 71 - HG LEU 104 16.667% * 0.1413% (0.99 1.0 1.00 0.02 0.02) = 0.141% QG1 VAL 70 - HG LEU 104 16.667% * 0.1359% (0.95 1.0 1.00 0.02 0.02) = 0.136% QG1 VAL 18 - HG LEU 104 16.667% * 0.1223% (0.85 1.0 1.00 0.02 0.02) = 0.122% HB3 LEU 63 - HG LEU 104 16.667% * 0.0398% (0.28 1.0 1.00 0.02 0.02) = 0.040% Peak 1287 (1.53, 1.53, 26.82 ppm): 1 diagonal assignment: * HG LEU 104 - HG LEU 104 (1.00) kept Peak 1288 (0.60, 1.53, 26.82 ppm): 6 chemical-shift based assignments, quality = 0.851, support = 4.51, residual support = 151.3: * O T QD1 LEU 104 - HG LEU 104 16.667% * 85.3070% (0.95 10.0 10.00 5.17 177.31) = 85.307% kept T QD1 LEU 63 - HG LEU 104 16.667% * 9.6787% (0.28 1.0 10.00 0.78 0.02) = 9.679% kept T QD1 LEU 73 - HG LEU 104 16.667% * 4.8149% (0.28 1.0 10.00 0.39 0.02) = 4.815% kept QG1 VAL 83 - HG LEU 104 16.667% * 0.0732% (0.81 1.0 1.00 0.02 0.02) = 0.073% QD2 LEU 80 - HG LEU 104 16.667% * 0.0652% (0.73 1.0 1.00 0.02 0.02) = 0.065% QD2 LEU 115 - HG LEU 104 16.667% * 0.0610% (0.68 1.0 1.00 0.02 0.02) = 0.061% Peak 1289 (0.73, 1.53, 26.82 ppm): 6 chemical-shift based assignments, quality = 0.967, support = 5.27, residual support = 170.8: * O T QD2 LEU 104 - HG LEU 104 16.667% * 96.1479% (1.00 10.0 10.00 5.38 177.31) = 96.148% kept QD1 LEU 98 - HG LEU 104 16.667% * 2.8847% (0.18 1.0 1.00 3.26 10.38) = 2.885% kept QD1 ILE 19 - HG LEU 104 16.667% * 0.4672% (0.95 1.0 1.00 0.10 0.02) = 0.467% T QG2 VAL 18 - HG LEU 104 16.667% * 0.4238% (0.44 1.0 10.00 0.02 0.02) = 0.424% QG2 THR 46 - HG LEU 104 16.667% * 0.0560% (0.58 1.0 1.00 0.02 0.02) = 0.056% QG1 VAL 43 - HG LEU 104 16.667% * 0.0204% (0.21 1.0 1.00 0.02 0.27) = 0.020% Peak 1290 (4.32, 0.60, 26.08 ppm): 15 chemical-shift based assignments, quality = 0.901, support = 5.3, residual support = 167.6: * T HA LEU 104 - QD1 LEU 104 6.667% * 94.5264% (0.95 10.00 5.56 177.31) = 94.526% kept T HA LEU 104 - QD1 LEU 63 6.667% * 5.1033% (0.12 10.00 0.85 0.02) = 5.103% kept T HA LEU 104 - QD1 LEU 73 6.667% * 0.1196% (0.12 10.00 0.02 0.02) = 0.120% HA GLU- 14 - QD1 LEU 104 6.667% * 0.0644% (0.65 1.00 0.02 0.02) = 0.064% HA ASP- 86 - QD1 LEU 104 6.667% * 0.0552% (0.55 1.00 0.02 0.02) = 0.055% HA ALA 12 - QD1 LEU 104 6.667% * 0.0506% (0.51 1.00 0.02 0.02) = 0.051% HA TRP 87 - QD1 LEU 104 6.667% * 0.0299% (0.30 1.00 0.02 0.02) = 0.030% HA GLU- 14 - QD1 LEU 63 6.667% * 0.0081% (0.08 1.00 0.02 0.02) = 0.008% HA GLU- 14 - QD1 LEU 73 6.667% * 0.0081% (0.08 1.00 0.02 0.02) = 0.008% HA ASP- 86 - QD1 LEU 73 6.667% * 0.0070% (0.07 1.00 0.02 0.02) = 0.007% HA ASP- 86 - QD1 LEU 63 6.667% * 0.0070% (0.07 1.00 0.02 0.02) = 0.007% HA ALA 12 - QD1 LEU 73 6.667% * 0.0064% (0.06 1.00 0.02 0.02) = 0.006% HA ALA 12 - QD1 LEU 63 6.667% * 0.0064% (0.06 1.00 0.02 0.02) = 0.006% HA TRP 87 - QD1 LEU 73 6.667% * 0.0038% (0.04 1.00 0.02 0.02) = 0.004% HA TRP 87 - QD1 LEU 63 6.667% * 0.0038% (0.04 1.00 0.02 1.59) = 0.004% Peak 1291 (1.04, 0.60, 26.08 ppm): 12 chemical-shift based assignments, quality = 0.675, support = 4.22, residual support = 129.2: * O T HB2 LEU 104 - QD1 LEU 104 8.333% * 72.6226% (0.77 10.0 10.00 5.30 177.31) = 72.623% kept T QD1 ILE 119 - QD1 LEU 104 8.333% * 26.8949% (0.42 1.0 10.00 1.37 1.51) = 26.895% kept HG3 LYS+ 112 - QD1 LEU 63 8.333% * 0.1428% (0.05 1.0 1.00 0.64 0.23) = 0.143% T HB2 LEU 104 - QD1 LEU 73 8.333% * 0.0919% (0.10 1.0 10.00 0.02 0.02) = 0.092% T HB2 LEU 104 - QD1 LEU 63 8.333% * 0.0919% (0.10 1.0 10.00 0.02 0.02) = 0.092% QG2 VAL 108 - QD1 LEU 104 8.333% * 0.0847% (0.90 1.0 1.00 0.02 0.02) = 0.085% HG3 LYS+ 112 - QD1 LEU 104 8.333% * 0.0353% (0.38 1.0 1.00 0.02 0.02) = 0.035% QG2 VAL 108 - QD1 LEU 73 8.333% * 0.0107% (0.11 1.0 1.00 0.02 1.30) = 0.011% QG2 VAL 108 - QD1 LEU 63 8.333% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% QD1 ILE 119 - QD1 LEU 73 8.333% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD1 ILE 119 - QD1 LEU 63 8.333% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 LYS+ 112 - QD1 LEU 73 8.333% * 0.0045% (0.05 1.0 1.00 0.02 2.51) = 0.004% Peak 1292 (0.86, 0.60, 26.08 ppm): 18 chemical-shift based assignments, quality = 0.576, support = 4.81, residual support = 166.9: * O T HB3 LEU 104 - QD1 LEU 104 5.556% * 88.8286% (0.65 10.0 10.00 4.98 177.31) = 88.829% kept O T HB3 LEU 63 - QD1 LEU 63 5.556% * 4.6025% (0.03 10.0 10.00 5.74 197.16) = 4.602% kept T HB3 LEU 63 - QD1 LEU 73 5.556% * 4.6025% (0.03 1.0 10.00 2.63 7.26) = 4.602% kept QD1 LEU 71 - QD1 LEU 104 5.556% * 0.8875% (0.94 1.0 1.00 0.14 0.02) = 0.887% T HB3 LEU 63 - QD1 LEU 104 5.556% * 0.3638% (0.26 1.0 10.00 0.02 0.02) = 0.364% QD1 LEU 123 - QD1 LEU 104 5.556% * 0.1292% (0.94 1.0 1.00 0.02 0.02) = 0.129% QG1 VAL 70 - QD1 LEU 104 5.556% * 0.1243% (0.90 1.0 1.00 0.02 0.02) = 0.124% T HB3 LEU 104 - QD1 LEU 63 5.556% * 0.1124% (0.08 1.0 10.00 0.02 0.02) = 0.112% T HB3 LEU 104 - QD1 LEU 73 5.556% * 0.1124% (0.08 1.0 10.00 0.02 0.02) = 0.112% QG1 VAL 18 - QD1 LEU 104 5.556% * 0.1118% (0.81 1.0 1.00 0.02 0.02) = 0.112% QD1 LEU 123 - QD1 LEU 73 5.556% * 0.0163% (0.12 1.0 1.00 0.02 0.02) = 0.016% QD1 LEU 123 - QD1 LEU 63 5.556% * 0.0163% (0.12 1.0 1.00 0.02 0.02) = 0.016% QD1 LEU 71 - QD1 LEU 73 5.556% * 0.0163% (0.12 1.0 1.00 0.02 3.20) = 0.016% QD1 LEU 71 - QD1 LEU 63 5.556% * 0.0163% (0.12 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 70 - QD1 LEU 63 5.556% * 0.0157% (0.11 1.0 1.00 0.02 0.02) = 0.016% QG1 VAL 70 - QD1 LEU 73 5.556% * 0.0157% (0.11 1.0 1.00 0.02 2.48) = 0.016% QG1 VAL 18 - QD1 LEU 63 5.556% * 0.0142% (0.10 1.0 1.00 0.02 0.02) = 0.014% QG1 VAL 18 - QD1 LEU 73 5.556% * 0.0142% (0.10 1.0 1.00 0.02 0.10) = 0.014% Peak 1293 (1.53, 0.60, 26.08 ppm): 21 chemical-shift based assignments, quality = 0.943, support = 5.01, residual support = 171.3: * O T HG LEU 104 - QD1 LEU 104 4.762% * 96.5955% (0.95 10.0 10.00 5.17 177.31) = 96.595% kept HD3 LYS+ 74 - QD1 LEU 104 4.762% * 2.7760% (0.90 1.0 1.00 0.60 0.18) = 2.776% kept T HG LEU 104 - QD1 LEU 63 4.762% * 0.1222% (0.12 1.0 10.00 0.02 0.02) = 0.122% T HG LEU 104 - QD1 LEU 73 4.762% * 0.1222% (0.12 1.0 10.00 0.02 0.02) = 0.122% HB3 LYS+ 121 - QD1 LEU 104 4.762% * 0.0966% (0.95 1.0 1.00 0.02 0.02) = 0.097% HB3 LYS+ 111 - QD1 LEU 104 4.762% * 0.0939% (0.92 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 66 - QD1 LEU 104 4.762% * 0.0562% (0.55 1.0 1.00 0.02 0.02) = 0.056% HG2 LYS+ 33 - QD1 LEU 104 4.762% * 0.0236% (0.23 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 121 - QD1 LEU 104 4.762% * 0.0178% (0.17 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 121 - QD1 LEU 73 4.762% * 0.0122% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 121 - QD1 LEU 63 4.762% * 0.0122% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 111 - QD1 LEU 73 4.762% * 0.0119% (0.12 1.0 1.00 0.02 0.13) = 0.012% HB3 LYS+ 111 - QD1 LEU 63 4.762% * 0.0119% (0.12 1.0 1.00 0.02 0.12) = 0.012% HD3 LYS+ 74 - QD1 LEU 73 4.762% * 0.0116% (0.11 1.0 1.00 0.02 18.59) = 0.012% HD3 LYS+ 74 - QD1 LEU 63 4.762% * 0.0116% (0.11 1.0 1.00 0.02 0.10) = 0.012% QD LYS+ 66 - QD1 LEU 73 4.762% * 0.0071% (0.07 1.0 1.00 0.02 0.02) = 0.007% QD LYS+ 66 - QD1 LEU 63 4.762% * 0.0071% (0.07 1.0 1.00 0.02 3.63) = 0.007% HG2 LYS+ 33 - QD1 LEU 63 4.762% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 LYS+ 33 - QD1 LEU 73 4.762% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HD2 LYS+ 121 - QD1 LEU 73 4.762% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% HD2 LYS+ 121 - QD1 LEU 63 4.762% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1294 (0.60, 0.60, 26.08 ppm): 3 diagonal assignments: * QD1 LEU 104 - QD1 LEU 104 (0.90) kept QD1 LEU 73 - QD1 LEU 73 (0.03) kept QD1 LEU 63 - QD1 LEU 63 (0.03) kept Peak 1295 (0.73, 0.60, 26.08 ppm): 18 chemical-shift based assignments, quality = 0.872, support = 4.73, residual support = 160.9: * O T QD2 LEU 104 - QD1 LEU 104 5.556% * 90.5764% (0.95 10.0 10.00 5.06 177.31) = 90.576% kept T QD2 LEU 104 - QD1 LEU 63 5.556% * 3.6081% (0.12 1.0 10.00 0.63 0.02) = 3.608% kept QD1 LEU 98 - QD1 LEU 104 5.556% * 3.2238% (0.17 1.0 1.00 3.87 10.38) = 3.224% kept T QD2 LEU 104 - QD1 LEU 73 5.556% * 1.5351% (0.12 1.0 10.00 0.27 0.02) = 1.535% kept QD1 ILE 19 - QD1 LEU 104 5.556% * 0.4401% (0.90 1.0 1.00 0.10 0.02) = 0.440% T QG2 VAL 18 - QD1 LEU 104 5.556% * 0.3992% (0.42 1.0 10.00 0.02 0.02) = 0.399% QG2 THR 46 - QD1 LEU 104 5.556% * 0.0527% (0.55 1.0 1.00 0.02 0.02) = 0.053% T QG2 VAL 18 - QD1 LEU 63 5.556% * 0.0505% (0.05 1.0 10.00 0.02 0.02) = 0.051% T QG2 VAL 18 - QD1 LEU 73 5.556% * 0.0505% (0.05 1.0 10.00 0.02 0.10) = 0.051% QG1 VAL 43 - QD1 LEU 104 5.556% * 0.0192% (0.20 1.0 1.00 0.02 0.27) = 0.019% QD1 ILE 19 - QD1 LEU 63 5.556% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% QD1 ILE 19 - QD1 LEU 73 5.556% * 0.0109% (0.11 1.0 1.00 0.02 5.71) = 0.011% QG2 THR 46 - QD1 LEU 63 5.556% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG2 THR 46 - QD1 LEU 73 5.556% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG1 VAL 43 - QD1 LEU 63 5.556% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% QG1 VAL 43 - QD1 LEU 73 5.556% * 0.0024% (0.03 1.0 1.00 0.02 2.21) = 0.002% QD1 LEU 98 - QD1 LEU 63 5.556% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% QD1 LEU 98 - QD1 LEU 73 5.556% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1296 (4.32, 0.73, 22.45 ppm): 10 chemical-shift based assignments, quality = 0.99, support = 5.61, residual support = 176.2: * T HA LEU 104 - QD2 LEU 104 10.000% * 99.3479% (1.00 10.00 5.65 177.31) = 99.348% kept HA ASP- 86 - QD2 LEU 104 10.000% * 0.2512% (0.58 1.00 0.09 0.02) = 0.251% HA TRP 87 - QD2 LEU 104 10.000% * 0.1359% (0.31 1.00 0.09 0.02) = 0.136% T HA LEU 104 - QG2 VAL 18 10.000% * 0.1189% (0.12 10.00 0.02 0.02) = 0.119% HA GLU- 14 - QD2 LEU 104 10.000% * 0.0677% (0.68 1.00 0.02 0.02) = 0.068% HA ALA 12 - QD2 LEU 104 10.000% * 0.0532% (0.53 1.00 0.02 0.02) = 0.053% HA GLU- 14 - QG2 VAL 18 10.000% * 0.0081% (0.08 1.00 0.02 0.02) = 0.008% HA ASP- 86 - QG2 VAL 18 10.000% * 0.0069% (0.07 1.00 0.02 0.02) = 0.007% HA ALA 12 - QG2 VAL 18 10.000% * 0.0064% (0.06 1.00 0.02 0.02) = 0.006% HA TRP 87 - QG2 VAL 18 10.000% * 0.0038% (0.04 1.00 0.02 0.02) = 0.004% Peak 1297 (1.04, 0.73, 22.45 ppm): 8 chemical-shift based assignments, quality = 0.806, support = 5.29, residual support = 173.7: * O T HB2 LEU 104 - QD2 LEU 104 12.500% * 97.9335% (0.81 10.0 10.00 5.39 177.31) = 97.934% kept QD1 ILE 119 - QD2 LEU 104 12.500% * 1.7618% (0.44 1.0 1.00 0.67 1.51) = 1.762% kept T HB2 LEU 104 - QG2 VAL 18 12.500% * 0.1172% (0.10 1.0 10.00 0.02 0.02) = 0.117% QG2 VAL 108 - QD2 LEU 104 12.500% * 0.1142% (0.95 1.0 1.00 0.02 0.02) = 0.114% HG3 LYS+ 112 - QD2 LEU 104 12.500% * 0.0477% (0.40 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 108 - QG2 VAL 18 12.500% * 0.0137% (0.11 1.0 1.00 0.02 0.02) = 0.014% QD1 ILE 119 - QG2 VAL 18 12.500% * 0.0063% (0.05 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 112 - QG2 VAL 18 12.500% * 0.0057% (0.05 1.0 1.00 0.02 0.02) = 0.006% Peak 1298 (0.86, 0.73, 22.45 ppm): 12 chemical-shift based assignments, quality = 0.603, support = 4.83, residual support = 160.0: * O T HB3 LEU 104 - QD2 LEU 104 8.333% * 85.4919% (0.68 10.0 10.00 5.07 177.31) = 85.492% kept O T QG1 VAL 18 - QG2 VAL 18 8.333% * 12.8779% (0.10 10.0 10.00 3.86 65.62) = 12.878% kept T QG1 VAL 18 - QD2 LEU 104 8.333% * 1.0764% (0.85 1.0 10.00 0.02 0.02) = 1.076% kept QD1 LEU 71 - QD2 LEU 104 8.333% * 0.1243% (0.99 1.0 1.00 0.02 0.02) = 0.124% QD1 LEU 123 - QD2 LEU 104 8.333% * 0.1243% (0.99 1.0 1.00 0.02 0.02) = 0.124% QG1 VAL 70 - QD2 LEU 104 8.333% * 0.1196% (0.95 1.0 1.00 0.02 0.02) = 0.120% T HB3 LEU 104 - QG2 VAL 18 8.333% * 0.1023% (0.08 1.0 10.00 0.02 0.02) = 0.102% HB3 LEU 63 - QD2 LEU 104 8.333% * 0.0350% (0.28 1.0 1.00 0.02 0.02) = 0.035% QD1 LEU 123 - QG2 VAL 18 8.333% * 0.0149% (0.12 1.0 1.00 0.02 0.02) = 0.015% QD1 LEU 71 - QG2 VAL 18 8.333% * 0.0149% (0.12 1.0 1.00 0.02 0.02) = 0.015% QG1 VAL 70 - QG2 VAL 18 8.333% * 0.0143% (0.11 1.0 1.00 0.02 0.54) = 0.014% HB3 LEU 63 - QG2 VAL 18 8.333% * 0.0042% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 1299 (1.53, 0.73, 22.45 ppm): 14 chemical-shift based assignments, quality = 0.986, support = 5.31, residual support = 174.8: * O T HG LEU 104 - QD2 LEU 104 7.143% * 98.5668% (1.00 10.0 10.00 5.38 177.31) = 98.567% kept HD3 LYS+ 74 - QD2 LEU 104 7.143% * 0.9157% (0.95 1.0 1.00 0.20 0.18) = 0.916% T HG LEU 104 - QG2 VAL 18 7.143% * 0.1179% (0.12 1.0 10.00 0.02 0.02) = 0.118% HB3 LYS+ 121 - QD2 LEU 104 7.143% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - QD2 LEU 104 7.143% * 0.0958% (0.97 1.0 1.00 0.02 0.02) = 0.096% QD LYS+ 66 - QG2 VAL 18 7.143% * 0.0662% (0.07 1.0 1.00 0.19 0.36) = 0.066% QD LYS+ 66 - QD2 LEU 104 7.143% * 0.0574% (0.58 1.0 1.00 0.02 0.02) = 0.057% HG2 LYS+ 33 - QD2 LEU 104 7.143% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 121 - QD2 LEU 104 7.143% * 0.0181% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 121 - QG2 VAL 18 7.143% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB3 LYS+ 111 - QG2 VAL 18 7.143% * 0.0115% (0.12 1.0 1.00 0.02 0.02) = 0.011% HD3 LYS+ 74 - QG2 VAL 18 7.143% * 0.0112% (0.11 1.0 1.00 0.02 0.14) = 0.011% HG2 LYS+ 33 - QG2 VAL 18 7.143% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HD2 LYS+ 121 - QG2 VAL 18 7.143% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1300 (0.60, 0.73, 22.45 ppm): 12 chemical-shift based assignments, quality = 0.938, support = 5.0, residual support = 175.1: * O T QD1 LEU 104 - QD2 LEU 104 8.333% * 98.7630% (0.95 10.0 10.00 5.06 177.31) = 98.763% kept T QD1 LEU 73 - QD2 LEU 104 8.333% * 0.2890% (0.28 1.0 10.00 0.02 0.02) = 0.289% T QD1 LEU 63 - QD2 LEU 104 8.333% * 0.2890% (0.28 1.0 10.00 0.02 0.02) = 0.289% QD2 LEU 80 - QD2 LEU 104 8.333% * 0.2888% (0.73 1.0 1.00 0.08 0.02) = 0.289% T QD1 LEU 104 - QG2 VAL 18 8.333% * 0.1182% (0.11 1.0 10.00 0.02 0.02) = 0.118% QG1 VAL 83 - QD2 LEU 104 8.333% * 0.0847% (0.81 1.0 1.00 0.02 0.02) = 0.085% QD2 LEU 115 - QD2 LEU 104 8.333% * 0.0706% (0.68 1.0 1.00 0.02 0.02) = 0.071% T QD1 LEU 63 - QG2 VAL 18 8.333% * 0.0346% (0.03 1.0 10.00 0.02 0.02) = 0.035% T QD1 LEU 73 - QG2 VAL 18 8.333% * 0.0346% (0.03 1.0 10.00 0.02 0.10) = 0.035% QG1 VAL 83 - QG2 VAL 18 8.333% * 0.0101% (0.10 1.0 1.00 0.02 0.02) = 0.010% QD2 LEU 80 - QG2 VAL 18 8.333% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% QD2 LEU 115 - QG2 VAL 18 8.333% * 0.0084% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 1301 (0.73, 0.73, 22.45 ppm): 2 diagonal assignments: * QD2 LEU 104 - QD2 LEU 104 (1.00) kept QG2 VAL 18 - QG2 VAL 18 (0.05) kept Peak 1302 (4.80, 4.80, 54.18 ppm): 1 diagonal assignment: * HA ASP- 105 - HA ASP- 105 (1.00) kept Peak 1303 (2.23, 4.80, 54.18 ppm): 6 chemical-shift based assignments, quality = 0.92, support = 3.15, residual support = 34.4: * O T HB2 ASP- 105 - HA ASP- 105 16.667% * 99.6442% (0.92 10.0 10.00 3.16 34.51) = 99.644% kept HB3 ASP- 76 - HA ASP- 105 16.667% * 0.1076% (1.00 1.0 1.00 0.02 0.02) = 0.108% HG2 GLU- 100 - HA ASP- 105 16.667% * 0.1049% (0.97 1.0 1.00 0.02 0.02) = 0.105% HB2 MET 96 - HA ASP- 105 16.667% * 0.0525% (0.49 1.0 1.00 0.02 0.02) = 0.053% HG3 MET 92 - HA ASP- 105 16.667% * 0.0525% (0.49 1.0 1.00 0.02 0.02) = 0.053% HB2 GLU- 29 - HA ASP- 105 16.667% * 0.0383% (0.35 1.0 1.00 0.02 0.02) = 0.038% Peak 1304 (4.80, 2.23, 47.73 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 3.16, residual support = 34.4: * O T HA ASP- 105 - HB2 ASP- 105 25.000% * 99.8225% (0.92 10.0 10.00 3.16 34.51) = 99.823% kept HB THR 23 - HB2 ASP- 105 25.000% * 0.0853% (0.79 1.0 1.00 0.02 0.02) = 0.085% HA LEU 80 - HB2 ASP- 105 25.000% * 0.0678% (0.63 1.0 1.00 0.02 0.02) = 0.068% HA THR 23 - HB2 ASP- 105 25.000% * 0.0243% (0.23 1.0 1.00 0.02 0.02) = 0.024% Peak 1305 (2.23, 2.23, 47.73 ppm): 1 diagonal assignment: * HB2 ASP- 105 - HB2 ASP- 105 (0.85) kept Peak 1306 (5.63, 5.63, 56.31 ppm): 1 diagonal assignment: * HA LYS+ 106 - HA LYS+ 106 (1.00) kept Peak 1307 (1.87, 5.63, 56.31 ppm): 12 chemical-shift based assignments, quality = 0.968, support = 5.92, residual support = 87.8: * O T QB LYS+ 106 - HA LYS+ 106 8.333% * 85.4656% (1.00 10.0 10.00 6.27 99.98) = 85.466% kept HB3 ASP- 105 - HA LYS+ 106 8.333% * 13.9643% (0.81 1.0 1.00 4.01 16.97) = 13.964% kept QB LYS+ 81 - HA LYS+ 106 8.333% * 0.0852% (1.00 1.0 1.00 0.02 0.02) = 0.085% HB3 GLN 90 - HA LYS+ 106 8.333% * 0.0830% (0.97 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 33 - HA LYS+ 106 8.333% * 0.0789% (0.92 1.0 1.00 0.02 0.02) = 0.079% HG2 ARG+ 54 - HA LYS+ 106 8.333% * 0.0660% (0.77 1.0 1.00 0.02 0.02) = 0.066% HB ILE 103 - HA LYS+ 106 8.333% * 0.0621% (0.73 1.0 1.00 0.02 0.02) = 0.062% HB ILE 56 - HA LYS+ 106 8.333% * 0.0580% (0.68 1.0 1.00 0.02 0.02) = 0.058% HG3 PRO 68 - HA LYS+ 106 8.333% * 0.0580% (0.68 1.0 1.00 0.02 0.02) = 0.058% HB3 LYS+ 38 - HA LYS+ 106 8.333% * 0.0416% (0.49 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 30 - HA LYS+ 106 8.333% * 0.0238% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB2 MET 92 - HA LYS+ 106 8.333% * 0.0135% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 1309 (1.56, 5.63, 56.31 ppm): 3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 95.6: * O T HG2 LYS+ 106 - HA LYS+ 106 33.333% * 95.6123% (1.00 10.0 10.00 5.07 99.98) = 95.612% kept T HG2 LYS+ 33 - HA LYS+ 106 33.333% * 3.4438% (0.68 1.0 10.00 0.11 0.02) = 3.444% kept T QG LYS+ 81 - HA LYS+ 106 33.333% * 0.9440% (0.99 1.0 10.00 0.02 0.02) = 0.944% Peak 1310 (1.70, 5.63, 56.31 ppm): 9 chemical-shift based assignments, quality = 0.987, support = 3.81, residual support = 98.7: * T QD LYS+ 106 - HA LYS+ 106 11.111% * 98.6694% (1.00 10.00 3.86 99.98) = 98.669% kept T QD LYS+ 99 - HA LYS+ 106 11.111% * 0.9835% (1.00 10.00 0.02 0.02) = 0.984% HB2 LEU 73 - HA LYS+ 106 11.111% * 0.0911% (0.92 1.00 0.02 0.74) = 0.091% HB3 MET 92 - HA LYS+ 106 11.111% * 0.0761% (0.77 1.00 0.02 0.02) = 0.076% HD2 LYS+ 111 - HA LYS+ 106 11.111% * 0.0622% (0.63 1.00 0.02 0.02) = 0.062% QG1 ILE 56 - HA LYS+ 106 11.111% * 0.0350% (0.35 1.00 0.02 0.02) = 0.035% HB2 LEU 123 - HA LYS+ 106 11.111% * 0.0311% (0.31 1.00 0.02 0.02) = 0.031% HG3 PRO 93 - HA LYS+ 106 11.111% * 0.0274% (0.28 1.00 0.02 0.02) = 0.027% HB3 LYS+ 99 - HA LYS+ 106 11.111% * 0.0241% (0.24 1.00 0.02 0.02) = 0.024% Peak 1311 (2.98, 5.63, 56.31 ppm): 4 chemical-shift based assignments, quality = 0.956, support = 4.36, residual support = 89.5: * T QE LYS+ 106 - HA LYS+ 106 25.000% * 88.2086% (1.00 10.00 4.39 99.98) = 88.209% kept HB2 PHE 97 - HA LYS+ 106 25.000% * 11.6586% (0.63 1.00 4.19 10.98) = 11.659% kept HB3 PHE 60 - HA LYS+ 106 25.000% * 0.0814% (0.92 1.00 0.02 0.02) = 0.081% HB3 TRP 27 - HA LYS+ 106 25.000% * 0.0514% (0.58 1.00 0.02 0.02) = 0.051% Peak 1312 (5.63, 1.87, 37.27 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.27, residual support = 100.0: * O T HA LYS+ 106 - QB LYS+ 106 100.000% *100.0000% (1.00 10.0 10.00 6.27 99.98) = 100.000% kept Peak 1313 (1.87, 1.87, 37.27 ppm): 1 diagonal assignment: * QB LYS+ 106 - QB LYS+ 106 (1.00) kept Peak 1315 (1.56, 1.87, 37.27 ppm): 3 chemical-shift based assignments, quality = 0.98, support = 4.98, residual support = 95.6: * O T HG2 LYS+ 106 - QB LYS+ 106 33.333% * 95.6123% (1.00 10.0 10.00 5.21 99.98) = 95.612% kept T HG2 LYS+ 33 - QB LYS+ 106 33.333% * 3.4438% (0.68 1.0 10.00 0.11 0.02) = 3.444% kept T QG LYS+ 81 - QB LYS+ 106 33.333% * 0.9440% (0.99 1.0 10.00 0.02 0.02) = 0.944% Peak 1316 (1.70, 1.87, 37.27 ppm): 9 chemical-shift based assignments, quality = 0.986, support = 4.63, residual support = 93.8: * O T QD LYS+ 106 - QB LYS+ 106 11.111% * 93.8464% (1.00 10.0 10.00 4.93 99.98) = 93.846% kept T QD LYS+ 99 - QB LYS+ 106 11.111% * 4.7253% (1.00 1.0 10.00 0.10 0.02) = 4.725% kept T HD2 LYS+ 111 - QB LYS+ 106 11.111% * 0.5920% (0.63 1.0 10.00 0.02 0.02) = 0.592% T QG1 ILE 56 - QB LYS+ 106 11.111% * 0.3328% (0.35 1.0 10.00 0.02 0.02) = 0.333% T HB2 LEU 123 - QB LYS+ 106 11.111% * 0.2956% (0.31 1.0 10.00 0.02 0.02) = 0.296% HB2 LEU 73 - QB LYS+ 106 11.111% * 0.0866% (0.92 1.0 1.00 0.02 0.74) = 0.087% HB3 MET 92 - QB LYS+ 106 11.111% * 0.0724% (0.77 1.0 1.00 0.02 0.02) = 0.072% HG3 PRO 93 - QB LYS+ 106 11.111% * 0.0261% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 99 - QB LYS+ 106 11.111% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1317 (2.98, 1.87, 37.27 ppm): 4 chemical-shift based assignments, quality = 0.856, support = 4.28, residual support = 65.5: * T QE LYS+ 106 - QB LYS+ 106 25.000% * 61.2638% (1.00 10.00 5.49 99.98) = 61.264% kept T HB2 PHE 97 - QB LYS+ 106 25.000% * 38.6439% (0.63 10.00 2.37 10.98) = 38.644% kept HB3 PHE 60 - QB LYS+ 106 25.000% * 0.0566% (0.92 1.00 0.02 0.02) = 0.057% HB3 TRP 27 - QB LYS+ 106 25.000% * 0.0357% (0.58 1.00 0.02 0.02) = 0.036% Peak 1324 (5.63, 1.56, 25.37 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 5.04, residual support = 99.2: * O T HA LYS+ 106 - HG2 LYS+ 106 33.333% * 99.2477% (1.00 10.0 10.00 5.07 99.98) = 99.248% kept T HA LYS+ 106 - HG2 LYS+ 33 33.333% * 0.5348% (0.54 1.0 10.00 0.02 0.02) = 0.535% T HA LYS+ 106 - QG LYS+ 81 33.333% * 0.2175% (0.22 1.0 10.00 0.02 0.02) = 0.218% Peak 1325 (1.87, 1.56, 25.37 ppm): 36 chemical-shift based assignments, quality = 0.713, support = 4.74, residual support = 86.8: * O T QB LYS+ 106 - HG2 LYS+ 106 2.778% * 48.3767% (1.00 10.0 10.00 5.21 99.98) = 48.377% kept O T QB LYS+ 33 - HG2 LYS+ 33 2.778% * 24.0616% (0.50 10.0 10.00 5.43 115.75) = 24.062% kept O T QB LYS+ 81 - QG LYS+ 81 2.778% * 10.5688% (0.22 10.0 10.00 4.70 83.78) = 10.569% kept HB3 ASP- 105 - HG2 LYS+ 106 2.778% * 8.3661% (0.81 1.0 1.00 4.24 16.97) = 8.366% kept T QB LYS+ 33 - QG LYS+ 81 2.778% * 5.5155% (0.20 1.0 10.00 1.13 5.24) = 5.515% kept T QB LYS+ 106 - HG2 LYS+ 33 2.778% * 1.3828% (0.54 1.0 10.00 0.11 0.02) = 1.383% kept T QB LYS+ 81 - HG2 LYS+ 106 2.778% * 0.4822% (1.00 1.0 10.00 0.02 0.02) = 0.482% T QB LYS+ 33 - HG2 LYS+ 106 2.778% * 0.4466% (0.92 1.0 10.00 0.02 0.02) = 0.447% T QB LYS+ 81 - HG2 LYS+ 33 2.778% * 0.2598% (0.54 1.0 10.00 0.02 5.24) = 0.260% T QB LYS+ 106 - QG LYS+ 81 2.778% * 0.1060% (0.22 1.0 10.00 0.02 0.02) = 0.106% HB3 GLN 90 - HG2 LYS+ 106 2.778% * 0.0470% (0.97 1.0 1.00 0.02 0.02) = 0.047% HG2 ARG+ 54 - HG2 LYS+ 106 2.778% * 0.0373% (0.77 1.0 1.00 0.02 0.02) = 0.037% HB ILE 103 - HG2 LYS+ 106 2.778% * 0.0351% (0.73 1.0 1.00 0.02 0.02) = 0.035% HG3 PRO 68 - HG2 LYS+ 106 2.778% * 0.0328% (0.68 1.0 1.00 0.02 0.02) = 0.033% HB ILE 56 - HG2 LYS+ 106 2.778% * 0.0328% (0.68 1.0 1.00 0.02 0.02) = 0.033% HB3 GLN 90 - HG2 LYS+ 33 2.778% * 0.0253% (0.52 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 38 - HG2 LYS+ 106 2.778% * 0.0235% (0.49 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 105 - HG2 LYS+ 33 2.778% * 0.0212% (0.44 1.0 1.00 0.02 0.21) = 0.021% HG2 ARG+ 54 - HG2 LYS+ 33 2.778% * 0.0201% (0.42 1.0 1.00 0.02 0.33) = 0.020% HB ILE 103 - HG2 LYS+ 33 2.778% * 0.0189% (0.39 1.0 1.00 0.02 0.02) = 0.019% HG3 PRO 68 - HG2 LYS+ 33 2.778% * 0.0177% (0.37 1.0 1.00 0.02 0.02) = 0.018% HB ILE 56 - HG2 LYS+ 33 2.778% * 0.0177% (0.37 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 30 - HG2 LYS+ 106 2.778% * 0.0135% (0.28 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 38 - HG2 LYS+ 33 2.778% * 0.0127% (0.26 1.0 1.00 0.02 0.02) = 0.013% HB3 GLN 90 - QG LYS+ 81 2.778% * 0.0103% (0.21 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 105 - QG LYS+ 81 2.778% * 0.0086% (0.18 1.0 1.00 0.02 0.02) = 0.009% HG2 ARG+ 54 - QG LYS+ 81 2.778% * 0.0082% (0.17 1.0 1.00 0.02 0.02) = 0.008% HB ILE 103 - QG LYS+ 81 2.778% * 0.0077% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB2 MET 92 - HG2 LYS+ 106 2.778% * 0.0077% (0.16 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 30 - HG2 LYS+ 33 2.778% * 0.0072% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB ILE 56 - QG LYS+ 81 2.778% * 0.0072% (0.15 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 68 - QG LYS+ 81 2.778% * 0.0072% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - QG LYS+ 81 2.778% * 0.0052% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB2 MET 92 - HG2 LYS+ 33 2.778% * 0.0041% (0.09 1.0 1.00 0.02 0.02) = 0.004% HB3 GLN 30 - QG LYS+ 81 2.778% * 0.0029% (0.06 1.0 1.00 0.02 0.02) = 0.003% HB2 MET 92 - QG LYS+ 81 2.778% * 0.0017% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1327 (1.56, 1.56, 25.37 ppm): 3 diagonal assignments: * HG2 LYS+ 106 - HG2 LYS+ 106 (1.00) kept HG2 LYS+ 33 - HG2 LYS+ 33 (0.37) kept QG LYS+ 81 - QG LYS+ 81 (0.22) kept Peak 1328 (1.70, 1.56, 25.37 ppm): 27 chemical-shift based assignments, quality = 0.963, support = 3.93, residual support = 94.8: * O T QD LYS+ 106 - HG2 LYS+ 106 3.704% * 94.8334% (1.00 10.0 10.00 4.14 99.98) = 94.833% kept T QD LYS+ 106 - HG2 LYS+ 33 3.704% * 2.7106% (0.54 1.0 10.00 0.11 0.02) = 2.711% kept T QD LYS+ 99 - HG2 LYS+ 106 3.704% * 0.9453% (1.00 1.0 10.00 0.02 0.02) = 0.945% T QD LYS+ 99 - HG2 LYS+ 33 3.704% * 0.5093% (0.54 1.0 10.00 0.02 0.02) = 0.509% T QD LYS+ 106 - QG LYS+ 81 3.704% * 0.2078% (0.22 1.0 10.00 0.02 0.02) = 0.208% T QD LYS+ 99 - QG LYS+ 81 3.704% * 0.2072% (0.22 1.0 10.00 0.02 0.02) = 0.207% HB2 LEU 73 - HG2 LYS+ 106 3.704% * 0.0875% (0.92 1.0 1.00 0.02 0.74) = 0.088% HB3 MET 92 - HG2 LYS+ 106 3.704% * 0.0732% (0.77 1.0 1.00 0.02 0.02) = 0.073% HD2 LYS+ 111 - HG2 LYS+ 106 3.704% * 0.0598% (0.63 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 73 - HG2 LYS+ 33 3.704% * 0.0472% (0.50 1.0 1.00 0.02 0.02) = 0.047% HB3 MET 92 - HG2 LYS+ 33 3.704% * 0.0394% (0.42 1.0 1.00 0.02 0.02) = 0.039% QG1 ILE 56 - HG2 LYS+ 106 3.704% * 0.0336% (0.35 1.0 1.00 0.02 0.02) = 0.034% HD2 LYS+ 111 - HG2 LYS+ 33 3.704% * 0.0322% (0.34 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 123 - HG2 LYS+ 106 3.704% * 0.0299% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 93 - HG2 LYS+ 106 3.704% * 0.0264% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 99 - HG2 LYS+ 106 3.704% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 73 - QG LYS+ 81 3.704% * 0.0192% (0.20 1.0 1.00 0.02 0.69) = 0.019% QG1 ILE 56 - HG2 LYS+ 33 3.704% * 0.0181% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB2 LEU 123 - HG2 LYS+ 33 3.704% * 0.0161% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 MET 92 - QG LYS+ 81 3.704% * 0.0160% (0.17 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 93 - HG2 LYS+ 33 3.704% * 0.0142% (0.15 1.0 1.00 0.02 0.02) = 0.014% HD2 LYS+ 111 - QG LYS+ 81 3.704% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 LYS+ 99 - HG2 LYS+ 33 3.704% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.012% QG1 ILE 56 - QG LYS+ 81 3.704% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 123 - QG LYS+ 81 3.704% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 93 - QG LYS+ 81 3.704% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 99 - QG LYS+ 81 3.704% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 1329 (2.98, 1.56, 25.37 ppm): 12 chemical-shift based assignments, quality = 0.96, support = 4.34, residual support = 91.3: * O T QE LYS+ 106 - HG2 LYS+ 106 8.333% * 90.7096% (1.00 10.0 10.00 4.68 99.98) = 90.710% kept HB2 PHE 97 - HG2 LYS+ 106 8.333% * 5.2045% (0.63 1.0 1.00 1.82 10.98) = 5.204% kept T QE LYS+ 106 - HG2 LYS+ 33 8.333% * 2.5928% (0.54 1.0 10.00 0.11 0.02) = 2.593% kept HB3 TRP 27 - HG2 LYS+ 106 8.333% * 1.0638% (0.58 1.0 1.00 0.40 0.02) = 1.064% kept T QE LYS+ 106 - QG LYS+ 81 8.333% * 0.1988% (0.22 1.0 10.00 0.02 0.02) = 0.199% HB3 PHE 60 - HG2 LYS+ 106 8.333% * 0.0837% (0.92 1.0 1.00 0.02 0.02) = 0.084% HB3 PHE 60 - HG2 LYS+ 33 8.333% * 0.0451% (0.50 1.0 1.00 0.02 0.02) = 0.045% HB2 PHE 97 - HG2 LYS+ 33 8.333% * 0.0308% (0.34 1.0 1.00 0.02 0.02) = 0.031% HB3 TRP 27 - HG2 LYS+ 33 8.333% * 0.0285% (0.31 1.0 1.00 0.02 0.02) = 0.028% HB3 PHE 60 - QG LYS+ 81 8.333% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB2 PHE 97 - QG LYS+ 81 8.333% * 0.0125% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 TRP 27 - QG LYS+ 81 8.333% * 0.0116% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 1330 (5.63, 1.70, 30.09 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 3.83, residual support = 99.2: * T HA LYS+ 106 - QD LYS+ 106 50.000% * 99.1919% (0.99 10.00 3.86 99.98) = 99.192% kept T HA LYS+ 106 - QD LYS+ 99 50.000% * 0.8081% (0.80 10.00 0.02 0.02) = 0.808% Peak 1331 (1.87, 1.70, 30.09 ppm): 24 chemical-shift based assignments, quality = 0.938, support = 4.49, residual support = 84.7: * O T QB LYS+ 106 - QD LYS+ 106 4.167% * 82.6968% (0.99 10.0 10.00 4.93 99.98) = 82.697% kept HB3 ASP- 105 - QD LYS+ 106 4.167% * 11.7584% (0.80 1.0 1.00 3.49 16.97) = 11.758% kept T QB LYS+ 106 - QD LYS+ 99 4.167% * 3.4033% (0.80 1.0 10.00 0.10 0.02) = 3.403% kept T HB ILE 56 - QD LYS+ 106 4.167% * 0.5615% (0.67 1.0 10.00 0.02 0.02) = 0.561% T HB ILE 56 - QD LYS+ 99 4.167% * 0.4574% (0.55 1.0 10.00 0.02 0.02) = 0.457% HB3 ASP- 105 - QD LYS+ 99 4.167% * 0.2234% (0.66 1.0 1.00 0.08 0.02) = 0.223% QB LYS+ 81 - QD LYS+ 106 4.167% * 0.0824% (0.98 1.0 1.00 0.02 0.02) = 0.082% HB3 GLN 90 - QD LYS+ 106 4.167% * 0.0803% (0.96 1.0 1.00 0.02 0.02) = 0.080% QB LYS+ 33 - QD LYS+ 106 4.167% * 0.0763% (0.91 1.0 1.00 0.02 0.02) = 0.076% QB LYS+ 81 - QD LYS+ 99 4.167% * 0.0672% (0.80 1.0 1.00 0.02 0.02) = 0.067% HB3 GLN 90 - QD LYS+ 99 4.167% * 0.0655% (0.78 1.0 1.00 0.02 0.02) = 0.065% HG2 ARG+ 54 - QD LYS+ 106 4.167% * 0.0638% (0.76 1.0 1.00 0.02 0.02) = 0.064% QB LYS+ 33 - QD LYS+ 99 4.167% * 0.0622% (0.74 1.0 1.00 0.02 0.02) = 0.062% HB ILE 103 - QD LYS+ 106 4.167% * 0.0601% (0.72 1.0 1.00 0.02 0.02) = 0.060% HG3 PRO 68 - QD LYS+ 106 4.167% * 0.0561% (0.67 1.0 1.00 0.02 0.02) = 0.056% HG2 ARG+ 54 - QD LYS+ 99 4.167% * 0.0520% (0.62 1.0 1.00 0.02 0.02) = 0.052% HB ILE 103 - QD LYS+ 99 4.167% * 0.0489% (0.58 1.0 1.00 0.02 0.57) = 0.049% HG3 PRO 68 - QD LYS+ 99 4.167% * 0.0457% (0.55 1.0 1.00 0.02 0.02) = 0.046% HB3 LYS+ 38 - QD LYS+ 106 4.167% * 0.0403% (0.48 1.0 1.00 0.02 0.02) = 0.040% HB3 LYS+ 38 - QD LYS+ 99 4.167% * 0.0328% (0.39 1.0 1.00 0.02 0.73) = 0.033% HB3 GLN 30 - QD LYS+ 106 4.167% * 0.0230% (0.27 1.0 1.00 0.02 0.02) = 0.023% HB3 GLN 30 - QD LYS+ 99 4.167% * 0.0187% (0.22 1.0 1.00 0.02 0.02) = 0.019% HB2 MET 92 - QD LYS+ 106 4.167% * 0.0131% (0.16 1.0 1.00 0.02 0.02) = 0.013% HB2 MET 92 - QD LYS+ 99 4.167% * 0.0107% (0.13 1.0 1.00 0.02 0.02) = 0.011% Peak 1333 (1.56, 1.70, 30.09 ppm): 6 chemical-shift based assignments, quality = 0.951, support = 3.99, residual support = 96.3: * O T HG2 LYS+ 106 - QD LYS+ 106 16.667% * 96.3034% (0.99 10.0 10.00 4.14 99.98) = 96.303% kept T QG LYS+ 81 - QD LYS+ 106 16.667% * 0.9508% (0.97 1.0 10.00 0.02 0.02) = 0.951% T HG2 LYS+ 106 - QD LYS+ 99 16.667% * 0.7846% (0.80 1.0 10.00 0.02 0.02) = 0.785% T QG LYS+ 81 - QD LYS+ 99 16.667% * 0.7746% (0.79 1.0 10.00 0.02 0.02) = 0.775% T HG2 LYS+ 33 - QD LYS+ 106 16.667% * 0.6539% (0.67 1.0 10.00 0.02 0.02) = 0.654% T HG2 LYS+ 33 - QD LYS+ 99 16.667% * 0.5327% (0.55 1.0 10.00 0.02 0.02) = 0.533% Peak 1334 (1.70, 1.70, 30.09 ppm): 2 diagonal assignments: * QD LYS+ 106 - QD LYS+ 106 (1.00) kept QD LYS+ 99 - QD LYS+ 99 (0.80) kept Peak 1335 (2.98, 1.70, 30.09 ppm): 8 chemical-shift based assignments, quality = 0.959, support = 3.37, residual support = 94.7: * O T QE LYS+ 106 - QD LYS+ 106 12.500% * 94.1841% (0.99 10.0 10.00 3.49 99.98) = 94.184% kept HB2 PHE 97 - QD LYS+ 106 12.500% * 4.7429% (0.62 1.0 1.00 1.60 10.98) = 4.743% kept T QE LYS+ 106 - QD LYS+ 99 12.500% * 0.7673% (0.80 1.0 10.00 0.02 0.02) = 0.767% HB3 PHE 60 - QD LYS+ 106 12.500% * 0.0869% (0.91 1.0 1.00 0.02 0.02) = 0.087% HB3 PHE 60 - QD LYS+ 99 12.500% * 0.0708% (0.74 1.0 1.00 0.02 0.02) = 0.071% HB3 TRP 27 - QD LYS+ 106 12.500% * 0.0548% (0.57 1.0 1.00 0.02 0.02) = 0.055% HB2 PHE 97 - QD LYS+ 99 12.500% * 0.0484% (0.51 1.0 1.00 0.02 0.02) = 0.048% HB3 TRP 27 - QD LYS+ 99 12.500% * 0.0447% (0.47 1.0 1.00 0.02 0.02) = 0.045% Peak 1336 (5.63, 2.98, 42.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.39, residual support = 100.0: * T HA LYS+ 106 - QE LYS+ 106 100.000% *100.0000% (1.00 10.00 4.39 99.98) = 100.000% kept Peak 1337 (1.87, 2.98, 42.19 ppm): 12 chemical-shift based assignments, quality = 0.913, support = 4.56, residual support = 62.5: * T QB LYS+ 106 - QE LYS+ 106 8.333% * 54.9004% (1.00 10.00 5.49 99.98) = 54.900% kept T HB3 ASP- 105 - QE LYS+ 106 8.333% * 44.7334% (0.81 10.00 3.45 16.97) = 44.733% kept QB LYS+ 81 - QE LYS+ 106 8.333% * 0.0547% (1.00 1.00 0.02 0.02) = 0.055% HB3 GLN 90 - QE LYS+ 106 8.333% * 0.0533% (0.97 1.00 0.02 0.02) = 0.053% QB LYS+ 33 - QE LYS+ 106 8.333% * 0.0507% (0.92 1.00 0.02 0.02) = 0.051% HG2 ARG+ 54 - QE LYS+ 106 8.333% * 0.0424% (0.77 1.00 0.02 0.02) = 0.042% HB ILE 103 - QE LYS+ 106 8.333% * 0.0399% (0.73 1.00 0.02 0.02) = 0.040% HB ILE 56 - QE LYS+ 106 8.333% * 0.0373% (0.68 1.00 0.02 0.02) = 0.037% HG3 PRO 68 - QE LYS+ 106 8.333% * 0.0373% (0.68 1.00 0.02 0.02) = 0.037% HB3 LYS+ 38 - QE LYS+ 106 8.333% * 0.0267% (0.49 1.00 0.02 0.02) = 0.027% HB3 GLN 30 - QE LYS+ 106 8.333% * 0.0153% (0.28 1.00 0.02 0.02) = 0.015% HB2 MET 92 - QE LYS+ 106 8.333% * 0.0087% (0.16 1.00 0.02 0.02) = 0.009% Peak 1339 (1.56, 2.98, 42.19 ppm): 3 chemical-shift based assignments, quality = 0.984, support = 4.6, residual support = 98.3: * O T HG2 LYS+ 106 - QE LYS+ 106 33.333% * 98.3611% (1.00 10.0 10.00 4.68 99.98) = 98.361% kept T QG LYS+ 81 - QE LYS+ 106 33.333% * 0.9711% (0.99 1.0 10.00 0.02 0.02) = 0.971% T HG2 LYS+ 33 - QE LYS+ 106 33.333% * 0.6678% (0.68 1.0 10.00 0.02 0.02) = 0.668% Peak 1340 (1.70, 2.98, 42.19 ppm): 9 chemical-shift based assignments, quality = 0.974, support = 3.45, residual support = 98.7: * O T QD LYS+ 106 - QE LYS+ 106 11.111% * 98.6759% (0.99 10.0 10.00 3.49 99.98) = 98.676% kept T QD LYS+ 99 - QE LYS+ 106 11.111% * 0.9963% (1.00 1.0 10.00 0.02 0.02) = 0.996% HB2 LEU 73 - QE LYS+ 106 11.111% * 0.0854% (0.85 1.0 1.00 0.02 0.74) = 0.085% HB3 MET 92 - QE LYS+ 106 11.111% * 0.0679% (0.68 1.0 1.00 0.02 0.02) = 0.068% HD2 LYS+ 111 - QE LYS+ 106 11.111% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% QG1 ILE 56 - QE LYS+ 106 11.111% * 0.0441% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 LYS+ 99 - QE LYS+ 106 11.111% * 0.0315% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 123 - QE LYS+ 106 11.111% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 93 - QE LYS+ 106 11.111% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1341 (2.98, 2.98, 42.19 ppm): 1 diagonal assignment: * QE LYS+ 106 - QE LYS+ 106 (1.00) kept Peak 1342 (4.48, 4.48, 62.32 ppm): 1 diagonal assignment: * HA VAL 107 - HA VAL 107 (1.00) kept Peak 1343 (2.40, 4.48, 62.32 ppm): 5 chemical-shift based assignments, quality = 0.629, support = 3.3, residual support = 50.3: * O T HB VAL 107 - HA VAL 107 20.000% * 99.6810% (0.63 10.0 10.00 3.31 50.44) = 99.681% kept QG GLN 32 - HA VAL 107 20.000% * 0.1535% (0.97 1.0 1.00 0.02 0.02) = 0.154% QG GLU- 79 - HA VAL 107 20.000% * 0.1073% (0.68 1.0 1.00 0.02 0.02) = 0.107% QE LYS+ 112 - HA VAL 107 20.000% * 0.0291% (0.18 1.0 1.00 0.02 0.02) = 0.029% HB3 PHE 45 - HA VAL 107 20.000% * 0.0291% (0.18 1.0 1.00 0.02 0.02) = 0.029% Peak 1344 (4.48, 2.40, 36.05 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 3.31, residual support = 50.3: * O T HA VAL 107 - HB VAL 107 25.000% * 99.8143% (0.63 10.0 10.00 3.31 50.44) = 99.814% kept HA ALA 91 - HB VAL 107 25.000% * 0.0948% (0.60 1.0 1.00 0.02 0.02) = 0.095% HA TRP 27 - HB VAL 107 25.000% * 0.0725% (0.46 1.0 1.00 0.02 0.33) = 0.072% HA ALA 110 - HB VAL 107 25.000% * 0.0184% (0.12 1.0 1.00 0.02 0.02) = 0.018% Peak 1345 (2.40, 2.40, 36.05 ppm): 1 diagonal assignment: * HB VAL 107 - HB VAL 107 (0.40) kept Peak 1346 (4.56, 4.56, 62.51 ppm): 1 diagonal assignment: * HA VAL 108 - HA VAL 108 (1.00) kept Peak 1347 (2.05, 4.56, 62.51 ppm): 8 chemical-shift based assignments, quality = 0.995, support = 3.54, residual support = 56.1: * O T HB VAL 108 - HA VAL 108 12.500% * 99.5022% (1.00 10.0 10.00 3.56 56.36) = 99.502% kept HB2 ARG+ 54 - HA VAL 108 12.500% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB ILE 119 - HA VAL 108 12.500% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB2 GLN 30 - HA VAL 108 12.500% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB3 GLU- 100 - HA VAL 108 12.500% * 0.0811% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 PRO 93 - HA VAL 108 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLN 30 - HA VAL 108 12.500% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PRO 68 - HA VAL 108 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1348 (0.89, 4.56, 62.51 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.95, residual support = 56.3: * O T QG1 VAL 108 - HA VAL 108 33.333% * 99.9223% (1.00 10.0 10.00 3.95 56.36) = 99.922% kept HB3 LEU 63 - HA VAL 108 33.333% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD1 LEU 40 - HA VAL 108 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1349 (1.03, 4.56, 62.51 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 56.3: * O T QG2 VAL 108 - HA VAL 108 25.000% * 99.8179% (1.00 10.0 10.00 3.14 56.36) = 99.818% kept HB2 LEU 104 - HA VAL 108 25.000% * 0.0948% (0.95 1.0 1.00 0.02 0.02) = 0.095% QD1 ILE 119 - HA VAL 108 25.000% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG3 LYS+ 112 - HA VAL 108 25.000% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1350 (4.56, 2.05, 32.95 ppm): 4 chemical-shift based assignments, quality = 0.981, support = 3.53, residual support = 55.1: * O T HA VAL 108 - HB VAL 108 25.000% * 97.6776% (1.00 10.0 10.00 3.56 56.36) = 97.678% kept HA1 GLY 109 - HB VAL 108 25.000% * 2.2068% (0.18 1.0 1.00 2.46 3.70) = 2.207% kept HA ALA 47 - HB VAL 108 25.000% * 0.0949% (0.97 1.0 1.00 0.02 0.02) = 0.095% HA CYS 50 - HB VAL 108 25.000% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1351 (2.05, 2.05, 32.95 ppm): 1 diagonal assignment: * HB VAL 108 - HB VAL 108 (1.00) kept Peak 1352 (0.89, 2.05, 32.95 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.58, residual support = 56.3: * O T QG1 VAL 108 - HB VAL 108 33.333% * 99.9223% (1.00 10.0 10.00 3.59 56.36) = 99.922% kept HB3 LEU 63 - HB VAL 108 33.333% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD1 LEU 40 - HB VAL 108 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1353 (1.03, 2.05, 32.95 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 3.25, residual support = 55.9: * O T QG2 VAL 108 - HB VAL 108 25.000% * 99.2554% (1.00 10.0 10.00 3.27 56.36) = 99.255% kept T QD1 ILE 119 - HB VAL 108 25.000% * 0.6261% (0.63 1.0 10.00 0.02 0.02) = 0.626% HB2 LEU 104 - HB VAL 108 25.000% * 0.0943% (0.95 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 112 - HB VAL 108 25.000% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1354 (4.56, 0.89, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.976, support = 3.92, residual support = 54.8: * O T HA VAL 108 - QG1 VAL 108 25.000% * 97.1387% (1.00 10.0 10.00 3.95 56.36) = 97.139% kept HA1 GLY 109 - QG1 VAL 108 25.000% * 2.7463% (0.18 1.0 1.00 3.07 3.70) = 2.746% kept HA ALA 47 - QG1 VAL 108 25.000% * 0.0944% (0.97 1.0 1.00 0.02 0.02) = 0.094% HA CYS 50 - QG1 VAL 108 25.000% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1355 (2.05, 0.89, 21.81 ppm): 8 chemical-shift based assignments, quality = 0.995, support = 3.57, residual support = 56.1: * O T HB VAL 108 - QG1 VAL 108 12.500% * 99.5022% (1.00 10.0 10.00 3.59 56.36) = 99.502% kept HB2 ARG+ 54 - QG1 VAL 108 12.500% * 0.0982% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB ILE 119 - QG1 VAL 108 12.500% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB2 GLN 30 - QG1 VAL 108 12.500% * 0.0887% (0.89 1.0 1.00 0.02 0.02) = 0.089% HB3 GLU- 100 - QG1 VAL 108 12.500% * 0.0811% (0.81 1.0 1.00 0.02 0.02) = 0.081% HB2 PRO 93 - QG1 VAL 108 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLN 30 - QG1 VAL 108 12.500% * 0.0531% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PRO 68 - QG1 VAL 108 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1356 (0.89, 0.89, 21.81 ppm): 1 diagonal assignment: * QG1 VAL 108 - QG1 VAL 108 (1.00) kept Peak 1357 (1.03, 0.89, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.3, residual support = 56.3: * O T QG2 VAL 108 - QG1 VAL 108 25.000% * 99.8179% (1.00 10.0 10.00 3.31 56.36) = 99.818% kept HB2 LEU 104 - QG1 VAL 108 25.000% * 0.0948% (0.95 1.0 1.00 0.02 0.02) = 0.095% QD1 ILE 119 - QG1 VAL 108 25.000% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% HG3 LYS+ 112 - QG1 VAL 108 25.000% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1358 (4.56, 1.03, 20.80 ppm): 4 chemical-shift based assignments, quality = 0.982, support = 3.12, residual support = 55.2: * O T HA VAL 108 - QG2 VAL 108 25.000% * 97.8142% (1.00 10.0 10.00 3.14 56.36) = 97.814% kept HA1 GLY 109 - QG2 VAL 108 25.000% * 2.0700% (0.18 1.0 1.00 2.30 3.70) = 2.070% kept HA ALA 47 - QG2 VAL 108 25.000% * 0.0950% (0.97 1.0 1.00 0.02 0.02) = 0.095% HA CYS 50 - QG2 VAL 108 25.000% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1359 (2.05, 1.03, 20.80 ppm): 8 chemical-shift based assignments, quality = 0.987, support = 3.23, residual support = 55.6: * O T HB VAL 108 - QG2 VAL 108 12.500% * 98.7144% (1.00 10.0 10.00 3.27 56.36) = 98.714% kept T HB ILE 119 - QG2 VAL 108 12.500% * 0.8797% (0.89 1.0 10.00 0.02 0.02) = 0.880% HB2 ARG+ 54 - QG2 VAL 108 12.500% * 0.0975% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 30 - QG2 VAL 108 12.500% * 0.0880% (0.89 1.0 1.00 0.02 0.02) = 0.088% HB3 GLU- 100 - QG2 VAL 108 12.500% * 0.0804% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB2 PRO 93 - QG2 VAL 108 12.500% * 0.0717% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLN 30 - QG2 VAL 108 12.500% * 0.0527% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PRO 68 - QG2 VAL 108 12.500% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1360 (0.89, 1.03, 20.80 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.3, residual support = 56.3: * O T QG1 VAL 108 - QG2 VAL 108 33.333% * 99.9223% (1.00 10.0 10.00 3.31 56.36) = 99.922% kept HB3 LEU 63 - QG2 VAL 108 33.333% * 0.0534% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD1 LEU 40 - QG2 VAL 108 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1361 (1.03, 1.03, 20.80 ppm): 1 diagonal assignment: * QG2 VAL 108 - QG2 VAL 108 (1.00) kept Peak 1362 (4.58, 4.58, 43.34 ppm): 1 diagonal assignment: * HA1 GLY 109 - HA1 GLY 109 (1.00) kept Peak 1363 (3.67, 4.58, 43.34 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 1.98, residual support = 8.92: * O T HA2 GLY 109 - HA1 GLY 109 20.000% * 99.0462% (1.00 10.0 10.00 2.00 9.01) = 99.046% kept T HB2 TRP 49 - HA1 GLY 109 20.000% * 0.7192% (0.73 1.0 10.00 0.02 0.02) = 0.719% HA ALA 84 - HA1 GLY 109 20.000% * 0.0914% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA THR 118 - HA1 GLY 109 20.000% * 0.0807% (0.81 1.0 1.00 0.02 0.02) = 0.081% HA ILE 119 - HA1 GLY 109 20.000% * 0.0625% (0.63 1.0 1.00 0.02 0.02) = 0.062% Peak 1364 (4.58, 3.67, 43.34 ppm): 7 chemical-shift based assignments, quality = 0.96, support = 1.98, residual support = 8.7: * O T HA1 GLY 109 - HA2 GLY 109 14.286% * 95.6011% (1.00 10.0 10.00 2.00 9.01) = 95.601% kept HA VAL 108 - HA2 GLY 109 14.286% * 2.4034% (0.18 1.0 1.00 2.73 3.70) = 2.403% kept T HA CYS 50 - HA2 GLY 109 14.286% * 0.9530% (1.00 1.0 10.00 0.02 0.02) = 0.953% T HA TRP 49 - HA2 GLY 109 14.286% * 0.9083% (0.95 1.0 10.00 0.02 0.02) = 0.908% HA CYS 21 - HA2 GLY 109 14.286% * 0.0738% (0.77 1.0 1.00 0.02 0.02) = 0.074% HA LYS+ 102 - HA2 GLY 109 14.286% * 0.0339% (0.35 1.0 1.00 0.02 0.02) = 0.034% HA ALA 47 - HA2 GLY 109 14.286% * 0.0266% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 1365 (3.67, 3.67, 43.34 ppm): 1 diagonal assignment: * HA2 GLY 109 - HA2 GLY 109 (1.00) kept Peak 1366 (4.46, 4.46, 51.13 ppm): 1 diagonal assignment: * HA ALA 110 - HA ALA 110 (1.00) kept Peak 1367 (1.42, 4.46, 51.13 ppm): 11 chemical-shift based assignments, quality = 0.986, support = 1.25, residual support = 6.61: * O T QB ALA 110 - HA ALA 110 9.091% * 98.6286% (1.00 10.0 10.00 1.27 6.71) = 98.629% kept T QB ALA 61 - HA ALA 110 9.091% * 0.8790% (0.89 1.0 10.00 0.02 0.02) = 0.879% HG LEU 80 - HA ALA 110 9.091% * 0.0983% (1.00 1.0 1.00 0.02 0.02) = 0.098% HG12 ILE 19 - HA ALA 110 9.091% * 0.0974% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 67 - HA ALA 110 9.091% * 0.0716% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 LEU 80 - HA ALA 110 9.091% * 0.0574% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG LYS+ 66 - HA ALA 110 9.091% * 0.0480% (0.49 1.0 1.00 0.02 0.02) = 0.048% HD3 LYS+ 121 - HA ALA 110 9.091% * 0.0391% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB3 LYS+ 74 - HA ALA 110 9.091% * 0.0350% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG LEU 73 - HA ALA 110 9.091% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 102 - HA ALA 110 9.091% * 0.0181% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1368 (4.46, 1.42, 18.06 ppm): 10 chemical-shift based assignments, quality = 0.98, support = 1.23, residual support = 6.47: * O T HA ALA 110 - QB ALA 110 10.000% * 96.3145% (1.00 10.0 10.00 1.27 6.71) = 96.314% kept HA PHE 55 - QB ALA 110 10.000% * 2.1125% (0.81 1.0 1.00 0.54 0.43) = 2.112% kept T HA ALA 110 - QB ALA 61 10.000% * 0.6881% (0.71 1.0 10.00 0.02 0.02) = 0.688% HA PHE 55 - QB ALA 61 10.000% * 0.6681% (0.58 1.0 1.00 0.24 0.02) = 0.668% HA GLN 90 - QB ALA 110 10.000% * 0.0936% (0.97 1.0 1.00 0.02 0.02) = 0.094% HA GLN 90 - QB ALA 61 10.000% * 0.0669% (0.69 1.0 1.00 0.02 0.02) = 0.067% HA VAL 107 - QB ALA 110 10.000% * 0.0177% (0.18 1.0 1.00 0.02 0.02) = 0.018% HA VAL 42 - QB ALA 110 10.000% * 0.0152% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA VAL 107 - QB ALA 61 10.000% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA VAL 42 - QB ALA 61 10.000% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1369 (1.42, 1.42, 18.06 ppm): 2 diagonal assignments: * QB ALA 110 - QB ALA 110 (1.00) kept QB ALA 61 - QB ALA 61 (0.64) kept Peak 1370 (4.53, 4.53, 54.74 ppm): 1 diagonal assignment: * HA LYS+ 111 - HA LYS+ 111 (1.00) kept Peak 1371 (2.02, 4.53, 54.74 ppm): 10 chemical-shift based assignments, quality = 0.992, support = 7.84, residual support = 276.4: * O T HB2 LYS+ 111 - HA LYS+ 111 10.000% * 99.1648% (1.00 10.0 10.00 7.90 278.71) = 99.165% kept T HG3 GLN 30 - HA LYS+ 111 10.000% * 0.3516% (0.35 1.0 10.00 0.02 0.02) = 0.352% HB2 GLN 17 - HA LYS+ 111 10.000% * 0.0979% (0.99 1.0 1.00 0.02 0.02) = 0.098% QB GLU- 15 - HA LYS+ 111 10.000% * 0.0979% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - HA LYS+ 111 10.000% * 0.0848% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB3 PRO 68 - HA LYS+ 111 10.000% * 0.0808% (0.81 1.0 1.00 0.02 0.02) = 0.081% QB GLU- 114 - HA LYS+ 111 10.000% * 0.0437% (0.44 1.0 1.00 0.02 0.49) = 0.044% HB ILE 19 - HA LYS+ 111 10.000% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 68 - HA LYS+ 111 10.000% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 100 - HA LYS+ 111 10.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1372 (1.33, 4.53, 54.74 ppm): 12 chemical-shift based assignments, quality = 0.994, support = 6.27, residual support = 277.0: * O T HG2 LYS+ 111 - HA LYS+ 111 8.333% * 99.3711% (1.00 10.0 10.00 6.31 278.71) = 99.371% kept HB2 LEU 31 - HA LYS+ 111 8.333% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 80 - HA LYS+ 111 8.333% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HG2 LYS+ 99 - HA LYS+ 111 8.333% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 LEU 63 - HA LYS+ 111 8.333% * 0.0767% (0.77 1.0 1.00 0.02 0.12) = 0.077% HG2 LYS+ 38 - HA LYS+ 111 8.333% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 ASP- 44 - HA LYS+ 111 8.333% * 0.0627% (0.63 1.0 1.00 0.02 0.33) = 0.063% QB ALA 124 - HA LYS+ 111 8.333% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB ALA 88 - HA LYS+ 111 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG LEU 98 - HA LYS+ 111 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% QB ALA 84 - HA LYS+ 111 8.333% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 93 - HA LYS+ 111 8.333% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1373 (1.22, 4.53, 54.74 ppm): 7 chemical-shift based assignments, quality = 0.949, support = 7.17, residual support = 261.9: * O T HG3 LYS+ 111 - HA LYS+ 111 14.286% * 93.3782% (1.00 10.0 10.00 7.31 278.71) = 93.378% kept HD2 LYS+ 112 - HA LYS+ 111 14.286% * 6.2267% (0.24 1.0 1.00 5.47 25.68) = 6.227% kept T HG2 LYS+ 74 - HA LYS+ 111 14.286% * 0.2277% (0.24 1.0 10.00 0.02 0.02) = 0.228% HG12 ILE 89 - HA LYS+ 111 14.286% * 0.0922% (0.99 1.0 1.00 0.02 0.61) = 0.092% HB3 LEU 71 - HA LYS+ 111 14.286% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 71 - HA LYS+ 111 14.286% * 0.0260% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 99 - HA LYS+ 111 14.286% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 1374 (1.69, 4.53, 54.74 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 6.2, residual support = 275.3: * T HD2 LYS+ 111 - HA LYS+ 111 11.111% * 98.7779% (1.00 10.00 6.28 278.71) = 98.778% kept T QD LYS+ 102 - HA LYS+ 111 11.111% * 0.5752% (0.58 10.00 0.02 0.02) = 0.575% T QD LYS+ 38 - HA LYS+ 111 11.111% * 0.1818% (0.18 10.00 0.02 0.02) = 0.182% HB3 MET 92 - HA LYS+ 111 11.111% * 0.0960% (0.97 1.00 0.02 0.02) = 0.096% HB2 LEU 73 - HA LYS+ 111 11.111% * 0.0844% (0.85 1.00 0.02 0.13) = 0.084% HB2 LEU 123 - HA LYS+ 111 11.111% * 0.0844% (0.85 1.00 0.02 0.02) = 0.084% HG3 PRO 93 - HA LYS+ 111 11.111% * 0.0805% (0.81 1.00 0.02 0.02) = 0.080% QD LYS+ 106 - HA LYS+ 111 11.111% * 0.0623% (0.63 1.00 0.02 0.02) = 0.062% QD LYS+ 99 - HA LYS+ 111 11.111% * 0.0575% (0.58 1.00 0.02 0.02) = 0.058% Peak 1375 (1.64, 4.53, 54.74 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 6.2, residual support = 275.2: * T HD3 LYS+ 111 - HA LYS+ 111 14.286% * 98.7475% (1.00 10.00 6.28 278.71) = 98.748% kept T QD LYS+ 33 - HA LYS+ 111 14.286% * 0.8442% (0.85 10.00 0.02 0.02) = 0.844% T QD LYS+ 65 - HA LYS+ 111 14.286% * 0.1336% (0.14 10.00 0.02 0.02) = 0.134% QB ALA 57 - HA LYS+ 111 14.286% * 0.0984% (1.00 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - HA LYS+ 111 14.286% * 0.0844% (0.85 1.00 0.02 0.02) = 0.084% HD2 LYS+ 74 - HA LYS+ 111 14.286% * 0.0762% (0.77 1.00 0.02 0.02) = 0.076% HB2 LYS+ 121 - HA LYS+ 111 14.286% * 0.0156% (0.16 1.00 0.02 0.28) = 0.016% Peak 1376 (3.06, 4.53, 54.74 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.62, residual support = 278.3: * T QE LYS+ 111 - HA LYS+ 111 33.333% * 99.8638% (1.00 10.00 5.62 278.71) = 99.864% kept HB2 PHE 45 - HA LYS+ 111 33.333% * 0.0922% (0.92 1.00 0.02 2.94) = 0.092% HB2 CYS 21 - HA LYS+ 111 33.333% * 0.0440% (0.44 1.00 0.02 0.02) = 0.044% Peak 1377 (4.53, 2.02, 33.52 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 7.85, residual support = 276.7: * O T HA LYS+ 111 - HB2 LYS+ 111 25.000% * 99.2860% (1.00 10.0 10.00 7.90 278.71) = 99.286% kept HA PRO 52 - HB2 LYS+ 111 25.000% * 0.5609% (0.53 1.0 1.00 0.21 0.02) = 0.561% T HA LYS+ 111 - HG3 GLN 30 25.000% * 0.1454% (0.15 1.0 10.00 0.02 0.02) = 0.145% HA PRO 52 - HG3 GLN 30 25.000% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 1378 (2.02, 2.02, 33.52 ppm): 2 diagonal assignments: * HB2 LYS+ 111 - HB2 LYS+ 111 (1.00) kept HG3 GLN 30 - HG3 GLN 30 (0.05) kept Peak 1379 (1.33, 2.02, 33.52 ppm): 24 chemical-shift based assignments, quality = 0.964, support = 6.59, residual support = 268.4: * O T HG2 LYS+ 111 - HB2 LYS+ 111 4.167% * 95.9633% (1.00 10.0 10.00 6.71 278.71) = 95.963% kept HB2 LEU 31 - HG3 GLN 30 4.167% * 3.2137% (0.14 1.0 1.00 4.63 29.72) = 3.214% kept T HG2 LYS+ 111 - HG3 GLN 30 4.167% * 0.1405% (0.15 1.0 10.00 0.02 0.02) = 0.141% HB2 LEU 31 - HB2 LYS+ 111 4.167% * 0.0947% (0.99 1.0 1.00 0.02 0.02) = 0.095% HB3 LEU 80 - HB2 LYS+ 111 4.167% * 0.0855% (0.89 1.0 1.00 0.02 0.02) = 0.086% HG2 LYS+ 99 - HB2 LYS+ 111 4.167% * 0.0820% (0.85 1.0 1.00 0.02 0.02) = 0.082% HB2 LEU 63 - HB2 LYS+ 111 4.167% * 0.0741% (0.77 1.0 1.00 0.02 0.12) = 0.074% HG2 LYS+ 38 - HB2 LYS+ 111 4.167% * 0.0697% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB3 ASP- 44 - HB2 LYS+ 111 4.167% * 0.0605% (0.63 1.0 1.00 0.02 0.33) = 0.061% QB ALA 124 - HB2 LYS+ 111 4.167% * 0.0423% (0.44 1.0 1.00 0.02 0.02) = 0.042% QB ALA 88 - HB2 LYS+ 111 4.167% * 0.0302% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 98 - HB2 LYS+ 111 4.167% * 0.0302% (0.31 1.0 1.00 0.02 0.02) = 0.030% QB ALA 84 - HB2 LYS+ 111 4.167% * 0.0204% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 93 - HB2 LYS+ 111 4.167% * 0.0177% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 LEU 80 - HG3 GLN 30 4.167% * 0.0125% (0.13 1.0 1.00 0.02 0.39) = 0.013% HG2 LYS+ 99 - HG3 GLN 30 4.167% * 0.0120% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 63 - HG3 GLN 30 4.167% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 38 - HG3 GLN 30 4.167% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 44 - HG3 GLN 30 4.167% * 0.0089% (0.09 1.0 1.00 0.02 0.02) = 0.009% QB ALA 124 - HG3 GLN 30 4.167% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB ALA 88 - HG3 GLN 30 4.167% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG LEU 98 - HG3 GLN 30 4.167% * 0.0044% (0.05 1.0 1.00 0.02 0.99) = 0.004% QB ALA 84 - HG3 GLN 30 4.167% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 93 - HG3 GLN 30 4.167% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1380 (1.22, 2.02, 33.52 ppm): 14 chemical-shift based assignments, quality = 0.944, support = 7.1, residual support = 260.4: * O T HG3 LYS+ 111 - HB2 LYS+ 111 7.143% * 92.8506% (1.00 10.0 10.00 7.26 278.71) = 92.851% kept HD2 LYS+ 112 - HB2 LYS+ 111 7.143% * 6.3274% (0.24 1.0 1.00 5.59 25.68) = 6.327% kept T HG LEU 71 - HB2 LYS+ 111 7.143% * 0.2582% (0.28 1.0 10.00 0.02 0.02) = 0.258% T HG2 LYS+ 74 - HB2 LYS+ 111 7.143% * 0.2264% (0.24 1.0 10.00 0.02 0.02) = 0.226% T HG3 LYS+ 111 - HG3 GLN 30 7.143% * 0.1360% (0.15 1.0 10.00 0.02 0.02) = 0.136% HG12 ILE 89 - HB2 LYS+ 111 7.143% * 0.0917% (0.99 1.0 1.00 0.02 0.61) = 0.092% T HG2 LYS+ 74 - HG3 GLN 30 7.143% * 0.0332% (0.04 1.0 10.00 0.02 0.02) = 0.033% HB3 LEU 71 - HB2 LYS+ 111 7.143% * 0.0292% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG3 LYS+ 99 - HB2 LYS+ 111 7.143% * 0.0197% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG12 ILE 89 - HG3 GLN 30 7.143% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 LEU 71 - HG3 GLN 30 7.143% * 0.0043% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG LEU 71 - HG3 GLN 30 7.143% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD2 LYS+ 112 - HG3 GLN 30 7.143% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG3 LYS+ 99 - HG3 GLN 30 7.143% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1381 (1.69, 2.02, 33.52 ppm): 18 chemical-shift based assignments, quality = 0.984, support = 6.55, residual support = 274.1: * O T HD2 LYS+ 111 - HB2 LYS+ 111 5.556% * 98.3553% (1.00 10.0 10.00 6.66 278.71) = 98.355% kept T QD LYS+ 102 - HB2 LYS+ 111 5.556% * 0.5727% (0.58 1.0 10.00 0.02 0.02) = 0.573% T QD LYS+ 38 - HB2 LYS+ 111 5.556% * 0.1810% (0.18 1.0 10.00 0.02 0.02) = 0.181% T HD2 LYS+ 111 - HG3 GLN 30 5.556% * 0.1440% (0.15 1.0 10.00 0.02 0.02) = 0.144% T HG3 PRO 93 - HG3 GLN 30 5.556% * 0.1173% (0.12 1.0 10.00 0.02 0.02) = 0.117% HB3 MET 92 - HB2 LYS+ 111 5.556% * 0.0956% (0.97 1.0 1.00 0.02 0.02) = 0.096% HB2 LEU 73 - HB2 LYS+ 111 5.556% * 0.0841% (0.85 1.0 1.00 0.02 0.13) = 0.084% HB2 LEU 123 - HB2 LYS+ 111 5.556% * 0.0841% (0.85 1.0 1.00 0.02 0.02) = 0.084% T QD LYS+ 102 - HG3 GLN 30 5.556% * 0.0839% (0.09 1.0 10.00 0.02 0.02) = 0.084% HG3 PRO 93 - HB2 LYS+ 111 5.556% * 0.0801% (0.81 1.0 1.00 0.02 0.02) = 0.080% QD LYS+ 106 - HB2 LYS+ 111 5.556% * 0.0620% (0.63 1.0 1.00 0.02 0.02) = 0.062% QD LYS+ 99 - HB2 LYS+ 111 5.556% * 0.0573% (0.58 1.0 1.00 0.02 0.02) = 0.057% T QD LYS+ 38 - HG3 GLN 30 5.556% * 0.0265% (0.03 1.0 10.00 0.02 0.02) = 0.026% HB3 MET 92 - HG3 GLN 30 5.556% * 0.0140% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 73 - HG3 GLN 30 5.556% * 0.0123% (0.13 1.0 1.00 0.02 0.60) = 0.012% HB2 LEU 123 - HG3 GLN 30 5.556% * 0.0123% (0.13 1.0 1.00 0.02 3.49) = 0.012% QD LYS+ 106 - HG3 GLN 30 5.556% * 0.0091% (0.09 1.0 1.00 0.02 0.02) = 0.009% QD LYS+ 99 - HG3 GLN 30 5.556% * 0.0084% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 1382 (1.64, 2.02, 33.52 ppm): 14 chemical-shift based assignments, quality = 0.966, support = 6.43, residual support = 268.4: * O T HD3 LYS+ 111 - HB2 LYS+ 111 7.143% * 96.3100% (1.00 10.0 10.00 6.66 278.71) = 96.310% kept T QD LYS+ 33 - HG3 GLN 30 7.143% * 2.2691% (0.13 1.0 10.00 0.38 0.02) = 2.269% kept T QD LYS+ 33 - HB2 LYS+ 111 7.143% * 0.8233% (0.85 1.0 10.00 0.02 0.02) = 0.823% T HD3 LYS+ 111 - HG3 GLN 30 7.143% * 0.1410% (0.15 1.0 10.00 0.02 0.02) = 0.141% T QD LYS+ 65 - HB2 LYS+ 111 7.143% * 0.1303% (0.14 1.0 10.00 0.02 0.02) = 0.130% QB ALA 57 - HB2 LYS+ 111 7.143% * 0.0960% (1.00 1.0 1.00 0.02 0.02) = 0.096% HB3 LEU 123 - HB2 LYS+ 111 7.143% * 0.0823% (0.85 1.0 1.00 0.02 0.02) = 0.082% HD2 LYS+ 74 - HB2 LYS+ 111 7.143% * 0.0743% (0.77 1.0 1.00 0.02 0.02) = 0.074% T QD LYS+ 65 - HG3 GLN 30 7.143% * 0.0191% (0.02 1.0 10.00 0.02 0.02) = 0.019% HB2 LYS+ 121 - HB2 LYS+ 111 7.143% * 0.0152% (0.16 1.0 1.00 0.02 0.28) = 0.015% QB ALA 57 - HG3 GLN 30 7.143% * 0.0141% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB3 LEU 123 - HG3 GLN 30 7.143% * 0.0121% (0.13 1.0 1.00 0.02 3.49) = 0.012% HD2 LYS+ 74 - HG3 GLN 30 7.143% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 121 - HG3 GLN 30 7.143% * 0.0022% (0.02 1.0 1.00 0.02 3.83) = 0.002% Peak 1383 (3.06, 2.02, 33.52 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 6.0, residual support = 277.9: * T QE LYS+ 111 - HB2 LYS+ 111 16.667% * 99.6981% (1.00 10.00 6.01 278.71) = 99.698% kept T QE LYS+ 111 - HG3 GLN 30 16.667% * 0.1460% (0.15 10.00 0.02 0.02) = 0.146% HB2 PHE 45 - HB2 LYS+ 111 16.667% * 0.0920% (0.92 1.00 0.02 2.94) = 0.092% HB2 CYS 21 - HB2 LYS+ 111 16.667% * 0.0439% (0.44 1.00 0.02 0.02) = 0.044% HB2 PHE 45 - HG3 GLN 30 16.667% * 0.0135% (0.14 1.00 0.02 0.02) = 0.013% HB2 CYS 21 - HG3 GLN 30 16.667% * 0.0064% (0.06 1.00 0.02 0.02) = 0.006% Peak 1384 (4.53, 1.33, 24.92 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 6.28, residual support = 277.1: * O T HA LYS+ 111 - HG2 LYS+ 111 50.000% * 99.4383% (1.00 10.0 10.00 6.31 278.71) = 99.438% kept HA PRO 52 - HG2 LYS+ 111 50.000% * 0.5617% (0.53 1.0 1.00 0.21 0.02) = 0.562% Peak 1385 (2.02, 1.33, 24.92 ppm): 10 chemical-shift based assignments, quality = 0.991, support = 6.59, residual support = 273.4: * O T HB2 LYS+ 111 - HG2 LYS+ 111 10.000% * 98.1077% (1.00 10.0 10.00 6.71 278.71) = 98.108% kept HB3 GLU- 25 - HG2 LYS+ 111 10.000% * 1.1499% (0.85 1.0 1.00 0.27 0.02) = 1.150% kept T HG3 GLN 30 - HG2 LYS+ 111 10.000% * 0.3479% (0.35 1.0 10.00 0.02 0.02) = 0.348% HB2 GLN 17 - HG2 LYS+ 111 10.000% * 0.0969% (0.99 1.0 1.00 0.02 0.02) = 0.097% QB GLU- 15 - HG2 LYS+ 111 10.000% * 0.0969% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB3 PRO 68 - HG2 LYS+ 111 10.000% * 0.0799% (0.81 1.0 1.00 0.02 0.02) = 0.080% QB GLU- 114 - HG2 LYS+ 111 10.000% * 0.0432% (0.44 1.0 1.00 0.02 0.49) = 0.043% HB ILE 19 - HG2 LYS+ 111 10.000% * 0.0348% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 68 - HG2 LYS+ 111 10.000% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 GLU- 100 - HG2 LYS+ 111 10.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1386 (1.33, 1.33, 24.92 ppm): 1 diagonal assignment: * HG2 LYS+ 111 - HG2 LYS+ 111 (1.00) kept Peak 1387 (1.22, 1.33, 24.92 ppm): 7 chemical-shift based assignments, quality = 0.964, support = 4.77, residual support = 191.2: * O T HG3 LYS+ 111 - HG2 LYS+ 111 14.286% * 68.1811% (1.00 10.0 10.00 6.40 278.71) = 68.181% kept T HG12 ILE 89 - HG2 LYS+ 111 14.286% * 27.6142% (0.99 1.0 10.00 0.82 0.61) = 27.614% kept HD2 LYS+ 112 - HG2 LYS+ 111 14.286% * 3.8531% (0.24 1.0 1.00 4.64 25.68) = 3.853% kept T HG2 LYS+ 74 - HG2 LYS+ 111 14.286% * 0.1663% (0.24 1.0 10.00 0.02 0.02) = 0.166% T HG3 LYS+ 99 - HG2 LYS+ 111 14.286% * 0.1449% (0.21 1.0 10.00 0.02 0.02) = 0.145% HB3 LEU 71 - HG2 LYS+ 111 14.286% * 0.0215% (0.31 1.0 1.00 0.02 0.02) = 0.021% HG LEU 71 - HG2 LYS+ 111 14.286% * 0.0190% (0.28 1.0 1.00 0.02 0.02) = 0.019% Peak 1388 (1.69, 1.33, 24.92 ppm): 9 chemical-shift based assignments, quality = 0.977, support = 5.84, residual support = 272.4: * O T HD2 LYS+ 111 - HG2 LYS+ 111 11.111% * 97.7240% (1.00 10.0 10.00 5.98 278.71) = 97.724% kept T QD LYS+ 106 - HG2 LYS+ 111 11.111% * 0.6164% (0.63 1.0 10.00 0.02 0.02) = 0.616% T QD LYS+ 99 - HG2 LYS+ 111 11.111% * 0.5690% (0.58 1.0 10.00 0.02 0.02) = 0.569% T QD LYS+ 102 - HG2 LYS+ 111 11.111% * 0.5690% (0.58 1.0 10.00 0.02 0.02) = 0.569% T QD LYS+ 38 - HG2 LYS+ 111 11.111% * 0.1798% (0.18 1.0 10.00 0.02 0.02) = 0.180% HB3 MET 92 - HG2 LYS+ 111 11.111% * 0.0949% (0.97 1.0 1.00 0.02 0.02) = 0.095% HB2 LEU 73 - HG2 LYS+ 111 11.111% * 0.0835% (0.85 1.0 1.00 0.02 0.13) = 0.084% HB2 LEU 123 - HG2 LYS+ 111 11.111% * 0.0835% (0.85 1.0 1.00 0.02 0.02) = 0.084% HG3 PRO 93 - HG2 LYS+ 111 11.111% * 0.0796% (0.81 1.0 1.00 0.02 0.02) = 0.080% Peak 1389 (1.64, 1.33, 24.92 ppm): 7 chemical-shift based assignments, quality = 0.981, support = 5.86, residual support = 273.3: * O T HD3 LYS+ 111 - HG2 LYS+ 111 14.286% * 98.0749% (1.00 10.0 10.00 5.98 278.71) = 98.075% kept T QD LYS+ 33 - HG2 LYS+ 111 14.286% * 0.8384% (0.85 1.0 10.00 0.02 0.02) = 0.838% T HD2 LYS+ 74 - HG2 LYS+ 111 14.286% * 0.7568% (0.77 1.0 10.00 0.02 0.02) = 0.757% T QD LYS+ 65 - HG2 LYS+ 111 14.286% * 0.1327% (0.14 1.0 10.00 0.02 0.02) = 0.133% QB ALA 57 - HG2 LYS+ 111 14.286% * 0.0978% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - HG2 LYS+ 111 14.286% * 0.0838% (0.85 1.0 1.00 0.02 0.02) = 0.084% HB2 LYS+ 121 - HG2 LYS+ 111 14.286% * 0.0155% (0.16 1.0 1.00 0.02 0.28) = 0.016% Peak 1390 (3.06, 1.33, 24.92 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 5.15, residual support = 268.8: * O T QE LYS+ 111 - HG2 LYS+ 111 33.333% * 96.3999% (1.00 10.0 10.00 5.31 278.71) = 96.400% kept HB2 PHE 45 - HG2 LYS+ 111 33.333% * 3.5576% (0.92 1.0 1.00 0.80 2.94) = 3.558% kept HB2 CYS 21 - HG2 LYS+ 111 33.333% * 0.0425% (0.44 1.0 1.00 0.02 0.02) = 0.042% Peak 1391 (4.53, 1.22, 24.92 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 7.27, residual support = 276.9: * O T HA LYS+ 111 - HG3 LYS+ 111 25.000% * 99.3660% (1.00 10.0 10.00 7.31 278.71) = 99.366% kept HA PRO 52 - HG3 LYS+ 111 25.000% * 0.5613% (0.53 1.0 1.00 0.21 0.02) = 0.561% T HA LYS+ 111 - HG2 LYS+ 74 25.000% * 0.0690% (0.07 1.0 10.00 0.02 0.02) = 0.069% HA PRO 52 - HG2 LYS+ 74 25.000% * 0.0037% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1392 (2.02, 1.22, 24.92 ppm): 20 chemical-shift based assignments, quality = 0.99, support = 7.19, residual support = 276.0: * O T HB2 LYS+ 111 - HG3 LYS+ 111 5.000% * 99.0175% (1.00 10.0 10.00 7.26 278.71) = 99.017% kept T HG3 GLN 30 - HG3 LYS+ 111 5.000% * 0.3511% (0.35 1.0 10.00 0.02 0.02) = 0.351% QB GLU- 15 - HG3 LYS+ 111 5.000% * 0.0978% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 17 - HG3 LYS+ 111 5.000% * 0.0978% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - HG3 LYS+ 111 5.000% * 0.0846% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB3 PRO 68 - HG3 LYS+ 111 5.000% * 0.0807% (0.81 1.0 1.00 0.02 0.02) = 0.081% T HB2 LYS+ 111 - HG2 LYS+ 74 5.000% * 0.0688% (0.07 1.0 10.00 0.02 0.02) = 0.069% QB GLU- 114 - HG3 LYS+ 111 5.000% * 0.0436% (0.44 1.0 1.00 0.02 0.49) = 0.044% HB ILE 19 - HG3 LYS+ 111 5.000% * 0.0351% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 68 - HG3 LYS+ 111 5.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% T HG3 GLN 30 - HG2 LYS+ 74 5.000% * 0.0244% (0.02 1.0 10.00 0.02 0.02) = 0.024% T HB ILE 19 - HG2 LYS+ 74 5.000% * 0.0244% (0.02 1.0 10.00 0.02 5.32) = 0.024% HB3 GLU- 100 - HG3 LYS+ 111 5.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 GLN 17 - HG2 LYS+ 74 5.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% QB GLU- 15 - HG2 LYS+ 74 5.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 GLU- 25 - HG2 LYS+ 74 5.000% * 0.0059% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 68 - HG2 LYS+ 74 5.000% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB GLU- 114 - HG2 LYS+ 74 5.000% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 68 - HG2 LYS+ 74 5.000% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 GLU- 100 - HG2 LYS+ 74 5.000% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1393 (1.33, 1.22, 24.92 ppm): 24 chemical-shift based assignments, quality = 0.99, support = 6.28, residual support = 273.3: * O T HG2 LYS+ 111 - HG3 LYS+ 111 4.167% * 98.0726% (1.00 10.0 10.00 6.40 278.71) = 98.073% kept HB2 LEU 63 - HG3 LYS+ 111 4.167% * 1.1742% (0.77 1.0 1.00 0.31 0.12) = 1.174% kept HB2 LEU 31 - HG3 LYS+ 111 4.167% * 0.0968% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 80 - HG3 LYS+ 111 4.167% * 0.0874% (0.89 1.0 1.00 0.02 0.02) = 0.087% HG2 LYS+ 99 - HG3 LYS+ 111 4.167% * 0.0838% (0.85 1.0 1.00 0.02 0.02) = 0.084% HG2 LYS+ 38 - HG3 LYS+ 111 4.167% * 0.0712% (0.73 1.0 1.00 0.02 0.02) = 0.071% T HG2 LYS+ 111 - HG2 LYS+ 74 4.167% * 0.0681% (0.07 1.0 10.00 0.02 0.02) = 0.068% HB3 ASP- 44 - HG3 LYS+ 111 4.167% * 0.0619% (0.63 1.0 1.00 0.02 0.33) = 0.062% T HG2 LYS+ 99 - HG2 LYS+ 74 4.167% * 0.0582% (0.06 1.0 10.00 0.02 0.02) = 0.058% T HG2 LYS+ 38 - HG2 LYS+ 74 4.167% * 0.0495% (0.05 1.0 10.00 0.02 0.02) = 0.049% QB ALA 124 - HG3 LYS+ 111 4.167% * 0.0432% (0.44 1.0 1.00 0.02 0.02) = 0.043% QB ALA 88 - HG3 LYS+ 111 4.167% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG LEU 98 - HG3 LYS+ 111 4.167% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% QB ALA 84 - HG3 LYS+ 111 4.167% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 93 - HG3 LYS+ 111 4.167% * 0.0180% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB2 LEU 31 - HG2 LYS+ 74 4.167% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 80 - HG2 LYS+ 74 4.167% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 63 - HG2 LYS+ 74 4.167% * 0.0053% (0.05 1.0 1.00 0.02 0.10) = 0.005% HB3 ASP- 44 - HG2 LYS+ 74 4.167% * 0.0043% (0.04 1.0 1.00 0.02 1.21) = 0.004% QB ALA 124 - HG2 LYS+ 74 4.167% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB ALA 88 - HG2 LYS+ 74 4.167% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG LEU 98 - HG2 LYS+ 74 4.167% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 84 - HG2 LYS+ 74 4.167% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 PRO 93 - HG2 LYS+ 74 4.167% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1394 (1.22, 1.22, 24.92 ppm): 2 diagonal assignments: * HG3 LYS+ 111 - HG3 LYS+ 111 (1.00) kept HG2 LYS+ 74 - HG2 LYS+ 74 (0.02) kept Peak 1395 (1.69, 1.22, 24.92 ppm): 18 chemical-shift based assignments, quality = 0.975, support = 5.27, residual support = 271.7: * O T HD2 LYS+ 111 - HG3 LYS+ 111 5.556% * 97.5038% (1.00 10.0 10.00 5.40 278.71) = 97.504% kept T QD LYS+ 106 - HG3 LYS+ 111 5.556% * 0.6150% (0.63 1.0 10.00 0.02 0.02) = 0.615% T QD LYS+ 99 - HG3 LYS+ 111 5.556% * 0.5677% (0.58 1.0 10.00 0.02 0.02) = 0.568% T QD LYS+ 102 - HG3 LYS+ 111 5.556% * 0.5677% (0.58 1.0 10.00 0.02 0.02) = 0.568% T QD LYS+ 38 - HG3 LYS+ 111 5.556% * 0.1794% (0.18 1.0 10.00 0.02 0.02) = 0.179% HB3 MET 92 - HG3 LYS+ 111 5.556% * 0.0947% (0.97 1.0 1.00 0.02 0.02) = 0.095% HB2 LEU 73 - HG3 LYS+ 111 5.556% * 0.0834% (0.85 1.0 1.00 0.02 0.13) = 0.083% HB2 LEU 123 - HG3 LYS+ 111 5.556% * 0.0834% (0.85 1.0 1.00 0.02 0.02) = 0.083% HG3 PRO 93 - HG3 LYS+ 111 5.556% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% T HD2 LYS+ 111 - HG2 LYS+ 74 5.556% * 0.0677% (0.07 1.0 10.00 0.02 0.02) = 0.068% T QD LYS+ 106 - HG2 LYS+ 74 5.556% * 0.0427% (0.04 1.0 10.00 0.02 0.02) = 0.043% T QD LYS+ 99 - HG2 LYS+ 74 5.556% * 0.0394% (0.04 1.0 10.00 0.02 0.02) = 0.039% T QD LYS+ 102 - HG2 LYS+ 74 5.556% * 0.0394% (0.04 1.0 10.00 0.02 0.02) = 0.039% T QD LYS+ 38 - HG2 LYS+ 74 5.556% * 0.0125% (0.01 1.0 10.00 0.02 0.02) = 0.012% HB3 MET 92 - HG2 LYS+ 74 5.556% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 73 - HG2 LYS+ 74 5.556% * 0.0058% (0.06 1.0 1.00 0.02 18.59) = 0.006% HB2 LEU 123 - HG2 LYS+ 74 5.556% * 0.0058% (0.06 1.0 1.00 0.02 0.11) = 0.006% HG3 PRO 93 - HG2 LYS+ 74 5.556% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 1396 (1.64, 1.22, 24.92 ppm): 14 chemical-shift based assignments, quality = 0.933, support = 5.25, residual support = 267.2: * O T HD3 LYS+ 111 - HG3 LYS+ 111 7.143% * 93.0463% (1.00 10.0 10.00 5.40 278.71) = 93.046% kept O T HD2 LYS+ 74 - HG2 LYS+ 74 7.143% * 4.9858% (0.05 10.0 10.00 4.41 157.02) = 4.986% kept T QD LYS+ 33 - HG3 LYS+ 111 7.143% * 0.7954% (0.85 1.0 10.00 0.02 0.02) = 0.795% T HD2 LYS+ 74 - HG3 LYS+ 111 7.143% * 0.7180% (0.77 1.0 10.00 0.02 0.02) = 0.718% T QD LYS+ 65 - HG3 LYS+ 111 7.143% * 0.1259% (0.14 1.0 10.00 0.02 0.02) = 0.126% QB ALA 57 - HG3 LYS+ 111 7.143% * 0.0927% (1.00 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 123 - HG3 LYS+ 111 7.143% * 0.0795% (0.85 1.0 1.00 0.02 0.02) = 0.080% T HD3 LYS+ 111 - HG2 LYS+ 74 7.143% * 0.0646% (0.07 1.0 10.00 0.02 0.02) = 0.065% T QD LYS+ 33 - HG2 LYS+ 74 7.143% * 0.0552% (0.06 1.0 10.00 0.02 0.02) = 0.055% HB2 LYS+ 121 - HG3 LYS+ 111 7.143% * 0.0147% (0.16 1.0 1.00 0.02 0.28) = 0.015% T QD LYS+ 65 - HG2 LYS+ 74 7.143% * 0.0087% (0.01 1.0 10.00 0.02 0.02) = 0.009% QB ALA 57 - HG2 LYS+ 74 7.143% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 LEU 123 - HG2 LYS+ 74 7.143% * 0.0055% (0.06 1.0 1.00 0.02 0.11) = 0.006% HB2 LYS+ 121 - HG2 LYS+ 74 7.143% * 0.0010% (0.01 1.0 1.00 0.02 0.15) = 0.001% Peak 1397 (3.06, 1.22, 24.92 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 278.1: * O T QE LYS+ 111 - HG3 LYS+ 111 16.667% * 99.7852% (1.00 10.0 10.00 5.40 278.71) = 99.785% kept HB2 PHE 45 - HG3 LYS+ 111 16.667% * 0.0921% (0.92 1.0 1.00 0.02 2.94) = 0.092% T QE LYS+ 111 - HG2 LYS+ 74 16.667% * 0.0693% (0.07 1.0 10.00 0.02 0.02) = 0.069% HB2 CYS 21 - HG3 LYS+ 111 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PHE 45 - HG2 LYS+ 74 16.667% * 0.0064% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 CYS 21 - HG2 LYS+ 74 16.667% * 0.0031% (0.03 1.0 1.00 0.02 1.10) = 0.003% Peak 1398 (4.53, 1.69, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 6.23, residual support = 276.4: * T HA LYS+ 111 - HD2 LYS+ 111 16.667% * 99.1615% (1.00 10.00 6.28 278.71) = 99.161% kept HA PRO 52 - HD2 LYS+ 111 16.667% * 0.5602% (0.53 1.00 0.21 0.02) = 0.560% T HA LYS+ 111 - QD LYS+ 102 16.667% * 0.2197% (0.22 10.00 0.02 0.02) = 0.220% T HA LYS+ 111 - QD LYS+ 38 16.667% * 0.0445% (0.04 10.00 0.02 0.02) = 0.044% HA PRO 52 - QD LYS+ 102 16.667% * 0.0117% (0.12 1.00 0.02 0.02) = 0.012% HA PRO 52 - QD LYS+ 38 16.667% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% Peak 1399 (2.02, 1.69, 29.56 ppm): 30 chemical-shift based assignments, quality = 0.987, support = 6.58, residual support = 275.0: * O T HB2 LYS+ 111 - HD2 LYS+ 111 3.333% * 98.6845% (1.00 10.0 10.00 6.66 278.71) = 98.684% kept T HG3 GLN 30 - HD2 LYS+ 111 3.333% * 0.3499% (0.35 1.0 10.00 0.02 0.02) = 0.350% T HB2 LYS+ 111 - QD LYS+ 102 3.333% * 0.2187% (0.22 1.0 10.00 0.02 0.02) = 0.219% HB2 GLN 17 - HD2 LYS+ 111 3.333% * 0.0974% (0.99 1.0 1.00 0.02 0.02) = 0.097% QB GLU- 15 - HD2 LYS+ 111 3.333% * 0.0974% (0.99 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HD2 LYS+ 111 3.333% * 0.0844% (0.85 1.0 1.00 0.02 0.02) = 0.084% HB3 PRO 68 - HD2 LYS+ 111 3.333% * 0.0804% (0.81 1.0 1.00 0.02 0.02) = 0.080% T HG3 GLN 30 - QD LYS+ 102 3.333% * 0.0775% (0.08 1.0 10.00 0.02 0.02) = 0.078% T HB2 LYS+ 111 - QD LYS+ 38 3.333% * 0.0443% (0.04 1.0 10.00 0.02 0.02) = 0.044% QB GLU- 114 - HD2 LYS+ 111 3.333% * 0.0435% (0.44 1.0 1.00 0.02 0.49) = 0.043% HB ILE 19 - HD2 LYS+ 111 3.333% * 0.0350% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 PRO 68 - HD2 LYS+ 111 3.333% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB GLU- 15 - QD LYS+ 102 3.333% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB2 GLN 17 - QD LYS+ 102 3.333% * 0.0216% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB3 GLU- 25 - QD LYS+ 102 3.333% * 0.0187% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 68 - QD LYS+ 102 3.333% * 0.0178% (0.18 1.0 1.00 0.02 0.02) = 0.018% T HG3 GLN 30 - QD LYS+ 38 3.333% * 0.0157% (0.02 1.0 10.00 0.02 0.02) = 0.016% HB3 GLU- 100 - HD2 LYS+ 111 3.333% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB GLU- 114 - QD LYS+ 102 3.333% * 0.0096% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB ILE 19 - QD LYS+ 102 3.333% * 0.0078% (0.08 1.0 1.00 0.02 3.31) = 0.008% HG2 PRO 68 - QD LYS+ 102 3.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB GLU- 15 - QD LYS+ 38 3.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 GLN 17 - QD LYS+ 38 3.333% * 0.0044% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 25 - QD LYS+ 38 3.333% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 68 - QD LYS+ 38 3.333% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 100 - QD LYS+ 102 3.333% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB GLU- 114 - QD LYS+ 38 3.333% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB ILE 19 - QD LYS+ 38 3.333% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG2 PRO 68 - QD LYS+ 38 3.333% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 GLU- 100 - QD LYS+ 38 3.333% * 0.0007% (0.01 1.0 1.00 0.02 0.30) = 0.001% Peak 1400 (1.33, 1.69, 29.56 ppm): 36 chemical-shift based assignments, quality = 0.942, support = 5.8, residual support = 268.2: * O T HG2 LYS+ 111 - HD2 LYS+ 111 2.778% * 94.1076% (1.00 10.0 10.00 5.98 278.71) = 94.108% kept O T HG2 LYS+ 38 - QD LYS+ 38 2.778% * 3.0662% (0.03 10.0 10.00 5.68 192.34) = 3.066% kept T HG2 LYS+ 99 - HD2 LYS+ 111 2.778% * 0.8045% (0.85 1.0 10.00 0.02 0.02) = 0.805% T HG2 LYS+ 38 - HD2 LYS+ 111 2.778% * 0.6834% (0.73 1.0 10.00 0.02 0.02) = 0.683% T HG2 LYS+ 111 - QD LYS+ 102 2.778% * 0.2085% (0.22 1.0 10.00 0.02 0.02) = 0.209% T HG2 LYS+ 99 - QD LYS+ 102 2.778% * 0.1783% (0.19 1.0 10.00 0.02 0.45) = 0.178% T HB3 PRO 93 - HD2 LYS+ 111 2.778% * 0.1732% (0.18 1.0 10.00 0.02 0.02) = 0.173% T HG2 LYS+ 38 - QD LYS+ 102 2.778% * 0.1514% (0.16 1.0 10.00 0.02 0.59) = 0.151% HB2 LEU 31 - HD2 LYS+ 111 2.778% * 0.0929% (0.99 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 80 - HD2 LYS+ 111 2.778% * 0.0839% (0.89 1.0 1.00 0.02 0.02) = 0.084% HB2 LEU 63 - HD2 LYS+ 111 2.778% * 0.0726% (0.77 1.0 1.00 0.02 0.12) = 0.073% HB3 ASP- 44 - HD2 LYS+ 111 2.778% * 0.0594% (0.63 1.0 1.00 0.02 0.33) = 0.059% T HG2 LYS+ 111 - QD LYS+ 38 2.778% * 0.0422% (0.04 1.0 10.00 0.02 0.02) = 0.042% QB ALA 124 - HD2 LYS+ 111 2.778% * 0.0415% (0.44 1.0 1.00 0.02 0.02) = 0.041% T HG2 LYS+ 99 - QD LYS+ 38 2.778% * 0.0361% (0.04 1.0 10.00 0.02 0.73) = 0.036% QB ALA 88 - HD2 LYS+ 111 2.778% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 98 - HD2 LYS+ 111 2.778% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 31 - QD LYS+ 102 2.778% * 0.0206% (0.22 1.0 1.00 0.02 0.02) = 0.021% QB ALA 84 - HD2 LYS+ 111 2.778% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 LEU 80 - QD LYS+ 102 2.778% * 0.0186% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 LEU 63 - QD LYS+ 102 2.778% * 0.0161% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB3 ASP- 44 - QD LYS+ 102 2.778% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% QB ALA 124 - QD LYS+ 102 2.778% * 0.0092% (0.10 1.0 1.00 0.02 0.02) = 0.009% QB ALA 88 - QD LYS+ 102 2.778% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG LEU 98 - QD LYS+ 102 2.778% * 0.0066% (0.07 1.0 1.00 0.02 0.17) = 0.007% QB ALA 84 - QD LYS+ 102 2.778% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 31 - QD LYS+ 38 2.778% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 PRO 93 - QD LYS+ 102 2.778% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 80 - QD LYS+ 38 2.778% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 63 - QD LYS+ 38 2.778% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 ASP- 44 - QD LYS+ 38 2.778% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB ALA 124 - QD LYS+ 38 2.778% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 88 - QD LYS+ 38 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG LEU 98 - QD LYS+ 38 2.778% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% QB ALA 84 - QD LYS+ 38 2.778% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 PRO 93 - QD LYS+ 38 2.778% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1401 (1.22, 1.69, 29.56 ppm): 21 chemical-shift based assignments, quality = 0.953, support = 5.3, residual support = 263.4: * O T HG3 LYS+ 111 - HD2 LYS+ 111 4.762% * 94.0606% (1.00 10.0 10.00 5.40 278.71) = 94.061% kept HD2 LYS+ 112 - HD2 LYS+ 111 4.762% * 4.9507% (0.24 1.0 1.00 4.32 25.68) = 4.951% kept T HG2 LYS+ 74 - HD2 LYS+ 111 4.762% * 0.2294% (0.24 1.0 10.00 0.02 0.02) = 0.229% T HG3 LYS+ 111 - QD LYS+ 102 4.762% * 0.2084% (0.22 1.0 10.00 0.02 0.02) = 0.208% T HG3 LYS+ 99 - HD2 LYS+ 111 4.762% * 0.1999% (0.21 1.0 10.00 0.02 0.02) = 0.200% HG12 ILE 89 - HD2 LYS+ 111 4.762% * 0.0929% (0.99 1.0 1.00 0.02 0.61) = 0.093% T HG2 LYS+ 74 - QD LYS+ 102 4.762% * 0.0508% (0.05 1.0 10.00 0.02 0.02) = 0.051% T HG3 LYS+ 99 - QD LYS+ 102 4.762% * 0.0443% (0.05 1.0 10.00 0.02 0.45) = 0.044% T HG3 LYS+ 111 - QD LYS+ 38 4.762% * 0.0422% (0.04 1.0 10.00 0.02 0.02) = 0.042% HB3 LEU 71 - HD2 LYS+ 111 4.762% * 0.0296% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 71 - HD2 LYS+ 111 4.762% * 0.0262% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG12 ILE 89 - QD LYS+ 102 4.762% * 0.0206% (0.22 1.0 1.00 0.02 0.02) = 0.021% T HG2 LYS+ 74 - QD LYS+ 38 4.762% * 0.0103% (0.01 1.0 10.00 0.02 0.02) = 0.010% T HG3 LYS+ 99 - QD LYS+ 38 4.762% * 0.0090% (0.01 1.0 10.00 0.02 0.73) = 0.009% HB3 LEU 71 - QD LYS+ 102 4.762% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG LEU 71 - QD LYS+ 102 4.762% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HD2 LYS+ 112 - QD LYS+ 102 4.762% * 0.0051% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG12 ILE 89 - QD LYS+ 38 4.762% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 71 - QD LYS+ 38 4.762% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG LEU 71 - QD LYS+ 38 4.762% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% HD2 LYS+ 112 - QD LYS+ 38 4.762% * 0.0010% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1402 (1.69, 1.69, 29.56 ppm): 3 diagonal assignments: * HD2 LYS+ 111 - HD2 LYS+ 111 (1.00) kept QD LYS+ 102 - QD LYS+ 102 (0.13) kept QD LYS+ 38 - QD LYS+ 38 (0.01) kept Peak 1403 (1.64, 1.69, 29.56 ppm): 21 chemical-shift based assignments, quality = 0.964, support = 4.82, residual support = 268.6: * O T HD3 LYS+ 111 - HD2 LYS+ 111 4.762% * 96.3718% (1.00 10.0 10.00 5.00 278.71) = 96.372% kept T QD LYS+ 33 - HD2 LYS+ 111 4.762% * 0.8239% (0.85 1.0 10.00 0.02 0.02) = 0.824% T HB3 LEU 123 - HD2 LYS+ 111 4.762% * 0.8239% (0.85 1.0 10.00 0.02 0.02) = 0.824% T HD2 LYS+ 74 - HD2 LYS+ 111 4.762% * 0.7437% (0.77 1.0 10.00 0.02 0.02) = 0.744% T HD3 LYS+ 111 - QD LYS+ 102 4.762% * 0.2136% (0.22 1.0 10.00 0.02 0.02) = 0.214% T QD LYS+ 33 - QD LYS+ 102 4.762% * 0.1826% (0.19 1.0 10.00 0.02 0.02) = 0.183% T HB3 LEU 123 - QD LYS+ 102 4.762% * 0.1826% (0.19 1.0 10.00 0.02 0.02) = 0.183% T HD2 LYS+ 74 - QD LYS+ 102 4.762% * 0.1648% (0.17 1.0 10.00 0.02 0.02) = 0.165% T QD LYS+ 65 - HD2 LYS+ 111 4.762% * 0.1304% (0.14 1.0 10.00 0.02 0.02) = 0.130% QB ALA 57 - HD2 LYS+ 111 4.762% * 0.0961% (1.00 1.0 1.00 0.02 0.02) = 0.096% T HD3 LYS+ 111 - QD LYS+ 38 4.762% * 0.0432% (0.04 1.0 10.00 0.02 0.02) = 0.043% T HB3 LEU 123 - QD LYS+ 38 4.762% * 0.0370% (0.04 1.0 10.00 0.02 0.02) = 0.037% T QD LYS+ 33 - QD LYS+ 38 4.762% * 0.0370% (0.04 1.0 10.00 0.02 0.02) = 0.037% T HB2 LYS+ 121 - QD LYS+ 102 4.762% * 0.0338% (0.04 1.0 10.00 0.02 0.02) = 0.034% T HD2 LYS+ 74 - QD LYS+ 38 4.762% * 0.0334% (0.03 1.0 10.00 0.02 0.02) = 0.033% T QD LYS+ 65 - QD LYS+ 102 4.762% * 0.0289% (0.03 1.0 10.00 0.02 0.02) = 0.029% QB ALA 57 - QD LYS+ 102 4.762% * 0.0213% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 121 - HD2 LYS+ 111 4.762% * 0.0153% (0.16 1.0 1.00 0.02 0.28) = 0.015% T HB2 LYS+ 121 - QD LYS+ 38 4.762% * 0.0068% (0.01 1.0 10.00 0.02 0.02) = 0.007% T QD LYS+ 65 - QD LYS+ 38 4.762% * 0.0059% (0.01 1.0 10.00 0.02 0.02) = 0.006% QB ALA 57 - QD LYS+ 38 4.762% * 0.0043% (0.04 1.0 1.00 0.02 0.49) = 0.004% Peak 1404 (3.06, 1.69, 29.56 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 4.98, residual support = 277.5: * O T QE LYS+ 111 - HD2 LYS+ 111 11.111% * 99.5627% (1.00 10.0 10.00 5.00 278.71) = 99.563% kept T QE LYS+ 111 - QD LYS+ 102 11.111% * 0.2206% (0.22 1.0 10.00 0.02 0.02) = 0.221% HB2 PHE 45 - HD2 LYS+ 111 11.111% * 0.0919% (0.92 1.0 1.00 0.02 2.94) = 0.092% T QE LYS+ 111 - QD LYS+ 38 11.111% * 0.0447% (0.04 1.0 10.00 0.02 0.02) = 0.045% HB2 CYS 21 - HD2 LYS+ 111 11.111% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 PHE 45 - QD LYS+ 102 11.111% * 0.0204% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 CYS 21 - QD LYS+ 102 11.111% * 0.0097% (0.10 1.0 1.00 0.02 0.13) = 0.010% HB2 PHE 45 - QD LYS+ 38 11.111% * 0.0041% (0.04 1.0 1.00 0.02 0.47) = 0.004% HB2 CYS 21 - QD LYS+ 38 11.111% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1405 (4.53, 1.64, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 6.18, residual support = 274.3: * T HA LYS+ 111 - HD3 LYS+ 111 16.667% * 98.4191% (1.00 10.00 6.28 278.71) = 98.419% kept T HA LYS+ 111 - QD LYS+ 33 16.667% * 0.8407% (0.85 10.00 0.02 0.02) = 0.841% HA PRO 52 - HD3 LYS+ 111 16.667% * 0.5560% (0.53 1.00 0.21 0.02) = 0.556% T HA LYS+ 111 - QD LYS+ 65 16.667% * 0.1322% (0.13 10.00 0.02 0.02) = 0.132% HA PRO 52 - QD LYS+ 33 16.667% * 0.0449% (0.46 1.00 0.02 0.02) = 0.045% HA PRO 52 - QD LYS+ 65 16.667% * 0.0071% (0.07 1.00 0.02 0.02) = 0.007% Peak 1406 (2.02, 1.64, 29.56 ppm): 30 chemical-shift based assignments, quality = 0.974, support = 6.49, residual support = 271.5: * O T HB2 LYS+ 111 - HD3 LYS+ 111 3.333% * 97.4058% (1.00 10.0 10.00 6.66 278.71) = 97.406% kept T HB2 LYS+ 111 - QD LYS+ 33 3.333% * 0.8320% (0.85 1.0 10.00 0.02 0.02) = 0.832% T HG3 GLN 30 - HD3 LYS+ 111 3.333% * 0.3454% (0.35 1.0 10.00 0.02 0.02) = 0.345% T HG3 GLN 30 - QD LYS+ 33 3.333% * 0.2950% (0.30 1.0 10.00 0.02 0.02) = 0.295% T HB2 LYS+ 111 - QD LYS+ 65 3.333% * 0.1309% (0.13 1.0 10.00 0.02 0.02) = 0.131% HB2 GLN 17 - HD3 LYS+ 111 3.333% * 0.0962% (0.99 1.0 1.00 0.02 0.02) = 0.096% QB GLU- 15 - HD3 LYS+ 111 3.333% * 0.0962% (0.99 1.0 1.00 0.02 0.02) = 0.096% HB3 GLU- 25 - HD3 LYS+ 111 3.333% * 0.0833% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB2 GLN 17 - QD LYS+ 33 3.333% * 0.0821% (0.84 1.0 1.00 0.02 0.02) = 0.082% QB GLU- 15 - QD LYS+ 33 3.333% * 0.0821% (0.84 1.0 1.00 0.02 0.02) = 0.082% HB3 PRO 68 - HD3 LYS+ 111 3.333% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% HB3 GLU- 25 - QD LYS+ 33 3.333% * 0.0711% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 PRO 68 - QD LYS+ 33 3.333% * 0.0678% (0.70 1.0 1.00 0.02 0.02) = 0.068% T HG3 GLN 30 - QD LYS+ 65 3.333% * 0.0464% (0.05 1.0 10.00 0.02 0.02) = 0.046% QB GLU- 114 - HD3 LYS+ 111 3.333% * 0.0429% (0.44 1.0 1.00 0.02 0.49) = 0.043% QB GLU- 114 - QD LYS+ 33 3.333% * 0.0367% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB ILE 19 - HD3 LYS+ 111 3.333% * 0.0345% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - QD LYS+ 33 3.333% * 0.0295% (0.30 1.0 1.00 0.02 0.02) = 0.030% HG2 PRO 68 - HD3 LYS+ 111 3.333% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 68 - QD LYS+ 33 3.333% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 GLU- 100 - HD3 LYS+ 111 3.333% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB3 GLU- 100 - QD LYS+ 33 3.333% * 0.0132% (0.14 1.0 1.00 0.02 0.02) = 0.013% QB GLU- 15 - QD LYS+ 65 3.333% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB2 GLN 17 - QD LYS+ 65 3.333% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 GLU- 25 - QD LYS+ 65 3.333% * 0.0112% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 68 - QD LYS+ 65 3.333% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% QB GLU- 114 - QD LYS+ 65 3.333% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB ILE 19 - QD LYS+ 65 3.333% * 0.0046% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 68 - QD LYS+ 65 3.333% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 GLU- 100 - QD LYS+ 65 3.333% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1407 (1.33, 1.64, 29.56 ppm): 36 chemical-shift based assignments, quality = 0.972, support = 5.66, residual support = 262.5: * O T HG2 LYS+ 111 - HD3 LYS+ 111 2.778% * 94.1940% (1.00 10.0 10.00 5.98 278.71) = 94.194% kept HB2 LEU 31 - QD LYS+ 33 2.778% * 3.5887% (0.84 1.0 1.00 0.90 0.41) = 3.589% kept T HG2 LYS+ 111 - QD LYS+ 33 2.778% * 0.8046% (0.85 1.0 10.00 0.02 0.02) = 0.805% T HG2 LYS+ 111 - QD LYS+ 65 2.778% * 0.1266% (0.13 1.0 10.00 0.02 0.02) = 0.127% T HG2 LYS+ 99 - QD LYS+ 65 2.778% * 0.1082% (0.11 1.0 10.00 0.02 0.02) = 0.108% HB2 LEU 31 - HD3 LYS+ 111 2.778% * 0.0930% (0.99 1.0 1.00 0.02 0.02) = 0.093% T HG2 LYS+ 38 - QD LYS+ 65 2.778% * 0.0919% (0.10 1.0 10.00 0.02 0.02) = 0.092% HB3 LEU 80 - HD3 LYS+ 111 2.778% * 0.0839% (0.89 1.0 1.00 0.02 0.02) = 0.084% HG2 LYS+ 99 - HD3 LYS+ 111 2.778% * 0.0805% (0.85 1.0 1.00 0.02 0.02) = 0.081% HB2 LEU 63 - HD3 LYS+ 111 2.778% * 0.0727% (0.77 1.0 1.00 0.02 0.12) = 0.073% HB3 LEU 80 - QD LYS+ 33 2.778% * 0.0717% (0.76 1.0 1.00 0.02 1.48) = 0.072% HG2 LYS+ 99 - QD LYS+ 33 2.778% * 0.0688% (0.73 1.0 1.00 0.02 0.02) = 0.069% HG2 LYS+ 38 - HD3 LYS+ 111 2.778% * 0.0684% (0.73 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 63 - QD LYS+ 33 2.778% * 0.0621% (0.66 1.0 1.00 0.02 0.02) = 0.062% HB3 ASP- 44 - HD3 LYS+ 111 2.778% * 0.0594% (0.63 1.0 1.00 0.02 0.33) = 0.059% HG2 LYS+ 38 - QD LYS+ 33 2.778% * 0.0584% (0.62 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 44 - QD LYS+ 33 2.778% * 0.0508% (0.54 1.0 1.00 0.02 0.02) = 0.051% QB ALA 124 - HD3 LYS+ 111 2.778% * 0.0415% (0.44 1.0 1.00 0.02 0.02) = 0.042% QB ALA 124 - QD LYS+ 33 2.778% * 0.0355% (0.38 1.0 1.00 0.02 0.02) = 0.035% QB ALA 88 - HD3 LYS+ 111 2.778% * 0.0297% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 98 - HD3 LYS+ 111 2.778% * 0.0297% (0.31 1.0 1.00 0.02 0.02) = 0.030% QB ALA 88 - QD LYS+ 33 2.778% * 0.0253% (0.27 1.0 1.00 0.02 0.02) = 0.025% HG LEU 98 - QD LYS+ 33 2.778% * 0.0253% (0.27 1.0 1.00 0.02 0.02) = 0.025% QB ALA 84 - HD3 LYS+ 111 2.778% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 PRO 93 - HD3 LYS+ 111 2.778% * 0.0173% (0.18 1.0 1.00 0.02 0.02) = 0.017% QB ALA 84 - QD LYS+ 33 2.778% * 0.0171% (0.18 1.0 1.00 0.02 0.17) = 0.017% HB3 PRO 93 - QD LYS+ 33 2.778% * 0.0148% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 31 - QD LYS+ 65 2.778% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 80 - QD LYS+ 65 2.778% * 0.0113% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB2 LEU 63 - QD LYS+ 65 2.778% * 0.0098% (0.10 1.0 1.00 0.02 1.42) = 0.010% HB3 ASP- 44 - QD LYS+ 65 2.778% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% QB ALA 124 - QD LYS+ 65 2.778% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB ALA 88 - QD LYS+ 65 2.778% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG LEU 98 - QD LYS+ 65 2.778% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 84 - QD LYS+ 65 2.778% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 93 - QD LYS+ 65 2.778% * 0.0023% (0.02 1.0 1.00 0.02 1.10) = 0.002% Peak 1408 (1.22, 1.64, 29.56 ppm): 21 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 261.6: * O T HG3 LYS+ 111 - HD3 LYS+ 111 4.762% * 93.4041% (1.00 10.0 10.00 5.40 278.71) = 93.404% kept HD2 LYS+ 112 - HD3 LYS+ 111 4.762% * 4.8401% (0.24 1.0 1.00 4.25 25.68) = 4.840% kept T HG3 LYS+ 111 - QD LYS+ 33 4.762% * 0.7978% (0.85 1.0 10.00 0.02 0.02) = 0.798% T HG2 LYS+ 74 - HD3 LYS+ 111 4.762% * 0.2278% (0.24 1.0 10.00 0.02 0.02) = 0.228% T HG2 LYS+ 74 - QD LYS+ 33 4.762% * 0.1946% (0.21 1.0 10.00 0.02 0.02) = 0.195% T HG3 LYS+ 111 - QD LYS+ 65 4.762% * 0.1255% (0.13 1.0 10.00 0.02 0.02) = 0.126% HG12 ILE 89 - HD3 LYS+ 111 4.762% * 0.0922% (0.99 1.0 1.00 0.02 0.61) = 0.092% HG12 ILE 89 - QD LYS+ 33 4.762% * 0.0788% (0.84 1.0 1.00 0.02 0.02) = 0.079% T HG2 LYS+ 74 - QD LYS+ 65 4.762% * 0.0306% (0.03 1.0 10.00 0.02 0.02) = 0.031% HB3 LEU 71 - HD3 LYS+ 111 4.762% * 0.0294% (0.31 1.0 1.00 0.02 0.02) = 0.029% T HG3 LYS+ 99 - QD LYS+ 65 4.762% * 0.0267% (0.03 1.0 10.00 0.02 0.02) = 0.027% HG LEU 71 - HD3 LYS+ 111 4.762% * 0.0260% (0.28 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 71 - QD LYS+ 33 4.762% * 0.0251% (0.27 1.0 1.00 0.02 0.02) = 0.025% HG LEU 71 - QD LYS+ 33 4.762% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 99 - HD3 LYS+ 111 4.762% * 0.0198% (0.21 1.0 1.00 0.02 0.02) = 0.020% HD2 LYS+ 112 - QD LYS+ 33 4.762% * 0.0195% (0.21 1.0 1.00 0.02 0.02) = 0.019% HG3 LYS+ 99 - QD LYS+ 33 4.762% * 0.0170% (0.18 1.0 1.00 0.02 0.02) = 0.017% HG12 ILE 89 - QD LYS+ 65 4.762% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 71 - QD LYS+ 65 4.762% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG LEU 71 - QD LYS+ 65 4.762% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% HD2 LYS+ 112 - QD LYS+ 65 4.762% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1409 (1.69, 1.64, 29.56 ppm): 27 chemical-shift based assignments, quality = 0.933, support = 4.66, residual support = 259.4: * O T HD2 LYS+ 111 - HD3 LYS+ 111 3.704% * 93.0791% (1.00 10.0 10.00 5.00 278.71) = 93.079% kept T HG3 PRO 93 - QD LYS+ 65 3.704% * 1.2084% (0.11 1.0 10.00 0.24 1.10) = 1.208% kept T HB2 LEU 123 - QD LYS+ 65 3.704% * 1.1954% (0.11 1.0 10.00 0.22 0.62) = 1.195% kept T HB2 LEU 123 - HD3 LYS+ 111 3.704% * 0.7957% (0.85 1.0 10.00 0.02 0.02) = 0.796% T HD2 LYS+ 111 - QD LYS+ 33 3.704% * 0.7951% (0.85 1.0 10.00 0.02 0.02) = 0.795% T HB2 LEU 123 - QD LYS+ 33 3.704% * 0.6797% (0.73 1.0 10.00 0.02 0.02) = 0.680% T QD LYS+ 102 - HD3 LYS+ 111 3.704% * 0.5420% (0.58 1.0 10.00 0.02 0.02) = 0.542% T QD LYS+ 102 - QD LYS+ 33 3.704% * 0.4630% (0.50 1.0 10.00 0.02 0.02) = 0.463% T QD LYS+ 38 - HD3 LYS+ 111 3.704% * 0.1713% (0.18 1.0 10.00 0.02 0.02) = 0.171% T QD LYS+ 38 - QD LYS+ 33 3.704% * 0.1463% (0.16 1.0 10.00 0.02 0.02) = 0.146% T HD2 LYS+ 111 - QD LYS+ 65 3.704% * 0.1251% (0.13 1.0 10.00 0.02 0.02) = 0.125% HB3 MET 92 - HD3 LYS+ 111 3.704% * 0.0904% (0.97 1.0 1.00 0.02 0.02) = 0.090% HB2 LEU 73 - HD3 LYS+ 111 3.704% * 0.0796% (0.85 1.0 1.00 0.02 0.13) = 0.080% HB3 MET 92 - QD LYS+ 33 3.704% * 0.0773% (0.83 1.0 1.00 0.02 0.02) = 0.077% HG3 PRO 93 - HD3 LYS+ 111 3.704% * 0.0758% (0.81 1.0 1.00 0.02 0.02) = 0.076% T QD LYS+ 102 - QD LYS+ 65 3.704% * 0.0728% (0.08 1.0 10.00 0.02 0.02) = 0.073% HB2 LEU 73 - QD LYS+ 33 3.704% * 0.0680% (0.73 1.0 1.00 0.02 0.02) = 0.068% HG3 PRO 93 - QD LYS+ 33 3.704% * 0.0648% (0.70 1.0 1.00 0.02 0.02) = 0.065% QD LYS+ 106 - HD3 LYS+ 111 3.704% * 0.0587% (0.63 1.0 1.00 0.02 0.02) = 0.059% QD LYS+ 99 - HD3 LYS+ 111 3.704% * 0.0542% (0.58 1.0 1.00 0.02 0.02) = 0.054% QD LYS+ 106 - QD LYS+ 33 3.704% * 0.0502% (0.54 1.0 1.00 0.02 0.02) = 0.050% QD LYS+ 99 - QD LYS+ 33 3.704% * 0.0463% (0.50 1.0 1.00 0.02 0.02) = 0.046% T QD LYS+ 38 - QD LYS+ 65 3.704% * 0.0230% (0.02 1.0 10.00 0.02 0.02) = 0.023% HB3 MET 92 - QD LYS+ 65 3.704% * 0.0122% (0.13 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 73 - QD LYS+ 65 3.704% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% QD LYS+ 106 - QD LYS+ 65 3.704% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% QD LYS+ 99 - QD LYS+ 65 3.704% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 1410 (1.64, 1.64, 29.56 ppm): 3 diagonal assignments: * HD3 LYS+ 111 - HD3 LYS+ 111 (1.00) kept QD LYS+ 33 - QD LYS+ 33 (0.73) kept QD LYS+ 65 - QD LYS+ 65 (0.02) kept Peak 1411 (3.06, 1.64, 29.56 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 4.94, residual support = 275.2: * O T QE LYS+ 111 - HD3 LYS+ 111 11.111% * 98.7559% (1.00 10.0 10.00 5.00 278.71) = 98.756% kept T QE LYS+ 111 - QD LYS+ 33 11.111% * 0.8436% (0.85 1.0 10.00 0.02 0.02) = 0.844% T QE LYS+ 111 - QD LYS+ 65 11.111% * 0.1327% (0.13 1.0 10.00 0.02 0.02) = 0.133% HB2 PHE 45 - HD3 LYS+ 111 11.111% * 0.0912% (0.92 1.0 1.00 0.02 2.94) = 0.091% HB2 PHE 45 - QD LYS+ 33 11.111% * 0.0779% (0.79 1.0 1.00 0.02 0.02) = 0.078% HB2 CYS 21 - HD3 LYS+ 111 11.111% * 0.0435% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB2 CYS 21 - QD LYS+ 33 11.111% * 0.0372% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB2 PHE 45 - QD LYS+ 65 11.111% * 0.0122% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB2 CYS 21 - QD LYS+ 65 11.111% * 0.0058% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 1412 (4.53, 3.06, 42.92 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 5.59, residual support = 277.1: * T HA LYS+ 111 - QE LYS+ 111 50.000% * 99.4383% (1.00 10.00 5.62 278.71) = 99.438% kept HA PRO 52 - QE LYS+ 111 50.000% * 0.5617% (0.53 1.00 0.21 0.02) = 0.562% Peak 1413 (2.02, 3.06, 42.92 ppm): 10 chemical-shift based assignments, quality = 0.992, support = 5.96, residual support = 276.4: * T HB2 LYS+ 111 - QE LYS+ 111 10.000% * 99.1648% (1.00 10.00 6.01 278.71) = 99.165% kept T HG3 GLN 30 - QE LYS+ 111 10.000% * 0.3516% (0.35 10.00 0.02 0.02) = 0.352% HB2 GLN 17 - QE LYS+ 111 10.000% * 0.0979% (0.99 1.00 0.02 0.02) = 0.098% QB GLU- 15 - QE LYS+ 111 10.000% * 0.0979% (0.99 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - QE LYS+ 111 10.000% * 0.0848% (0.85 1.00 0.02 0.02) = 0.085% HB3 PRO 68 - QE LYS+ 111 10.000% * 0.0808% (0.81 1.00 0.02 0.02) = 0.081% QB GLU- 114 - QE LYS+ 111 10.000% * 0.0437% (0.44 1.00 0.02 0.49) = 0.044% HB ILE 19 - QE LYS+ 111 10.000% * 0.0352% (0.35 1.00 0.02 0.02) = 0.035% HG2 PRO 68 - QE LYS+ 111 10.000% * 0.0276% (0.28 1.00 0.02 0.02) = 0.028% HB3 GLU- 100 - QE LYS+ 111 10.000% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% Peak 1414 (1.33, 3.06, 42.92 ppm): 12 chemical-shift based assignments, quality = 0.994, support = 5.28, residual support = 277.0: * O T HG2 LYS+ 111 - QE LYS+ 111 8.333% * 99.3711% (1.00 10.0 10.00 5.31 278.71) = 99.371% kept HB2 LEU 31 - QE LYS+ 111 8.333% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 80 - QE LYS+ 111 8.333% * 0.0886% (0.89 1.0 1.00 0.02 0.02) = 0.089% HG2 LYS+ 99 - QE LYS+ 111 8.333% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 LEU 63 - QE LYS+ 111 8.333% * 0.0767% (0.77 1.0 1.00 0.02 0.12) = 0.077% HG2 LYS+ 38 - QE LYS+ 111 8.333% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 ASP- 44 - QE LYS+ 111 8.333% * 0.0627% (0.63 1.0 1.00 0.02 0.33) = 0.063% QB ALA 124 - QE LYS+ 111 8.333% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB ALA 88 - QE LYS+ 111 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG LEU 98 - QE LYS+ 111 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% QB ALA 84 - QE LYS+ 111 8.333% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 93 - QE LYS+ 111 8.333% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1415 (1.22, 3.06, 42.92 ppm): 7 chemical-shift based assignments, quality = 0.959, support = 5.22, residual support = 258.6: * O T HG3 LYS+ 111 - QE LYS+ 111 14.286% * 92.3274% (1.00 10.0 10.00 5.40 278.71) = 92.327% kept HD2 LYS+ 112 - QE LYS+ 111 14.286% * 4.9449% (0.24 1.0 1.00 4.39 25.68) = 4.945% kept HG12 ILE 89 - QE LYS+ 111 14.286% * 2.4282% (0.99 1.0 1.00 0.53 0.61) = 2.428% kept T HG2 LYS+ 74 - QE LYS+ 111 14.286% * 0.2251% (0.24 1.0 10.00 0.02 0.02) = 0.225% HB3 LEU 71 - QE LYS+ 111 14.286% * 0.0291% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 71 - QE LYS+ 111 14.286% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 99 - QE LYS+ 111 14.286% * 0.0196% (0.21 1.0 1.00 0.02 0.02) = 0.020% Peak 1416 (1.69, 3.06, 42.92 ppm): 9 chemical-shift based assignments, quality = 0.987, support = 4.89, residual support = 272.3: * O T HD2 LYS+ 111 - QE LYS+ 111 11.111% * 97.6952% (1.00 10.0 10.00 5.00 278.71) = 97.695% kept HG3 PRO 93 - QE LYS+ 111 11.111% * 1.1757% (0.81 1.0 1.00 0.30 0.02) = 1.176% kept T QD LYS+ 102 - QE LYS+ 111 11.111% * 0.5689% (0.58 1.0 10.00 0.02 0.02) = 0.569% T QD LYS+ 38 - QE LYS+ 111 11.111% * 0.1798% (0.18 1.0 10.00 0.02 0.02) = 0.180% HB3 MET 92 - QE LYS+ 111 11.111% * 0.0949% (0.97 1.0 1.00 0.02 0.02) = 0.095% HB2 LEU 73 - QE LYS+ 111 11.111% * 0.0835% (0.85 1.0 1.00 0.02 0.13) = 0.084% HB2 LEU 123 - QE LYS+ 111 11.111% * 0.0835% (0.85 1.0 1.00 0.02 0.02) = 0.084% QD LYS+ 106 - QE LYS+ 111 11.111% * 0.0616% (0.63 1.0 1.00 0.02 0.02) = 0.062% QD LYS+ 99 - QE LYS+ 111 11.111% * 0.0569% (0.58 1.0 1.00 0.02 0.02) = 0.057% Peak 1417 (1.64, 3.06, 42.92 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 4.94, residual support = 275.2: * O T HD3 LYS+ 111 - QE LYS+ 111 14.286% * 98.7475% (1.00 10.0 10.00 5.00 278.71) = 98.748% kept T QD LYS+ 33 - QE LYS+ 111 14.286% * 0.8442% (0.85 1.0 10.00 0.02 0.02) = 0.844% T QD LYS+ 65 - QE LYS+ 111 14.286% * 0.1336% (0.14 1.0 10.00 0.02 0.02) = 0.134% QB ALA 57 - QE LYS+ 111 14.286% * 0.0984% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - QE LYS+ 111 14.286% * 0.0844% (0.85 1.0 1.00 0.02 0.02) = 0.084% HD2 LYS+ 74 - QE LYS+ 111 14.286% * 0.0762% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB2 LYS+ 121 - QE LYS+ 111 14.286% * 0.0156% (0.16 1.0 1.00 0.02 0.28) = 0.016% Peak 1418 (3.06, 3.06, 42.92 ppm): 1 diagonal assignment: * QE LYS+ 111 - QE LYS+ 111 (1.00) kept Peak 1419 (3.46, 3.46, 61.33 ppm): 1 diagonal assignment: * HA LYS+ 112 - HA LYS+ 112 (1.00) kept Peak 1420 (1.37, 3.46, 61.33 ppm): 12 chemical-shift based assignments, quality = 0.985, support = 5.57, residual support = 183.7: * O T HB2 LYS+ 112 - HA LYS+ 112 8.333% * 92.1325% (1.00 10.0 10.00 5.94 199.22) = 92.132% kept HB3 LEU 73 - HA LYS+ 112 8.333% * 6.5403% (0.97 1.0 1.00 1.46 2.51) = 6.540% kept T HB VAL 42 - HA LYS+ 112 8.333% * 0.8505% (0.92 1.0 10.00 0.02 0.02) = 0.850% HG3 LYS+ 102 - HA LYS+ 112 8.333% * 0.0910% (0.99 1.0 1.00 0.02 0.02) = 0.091% HG3 LYS+ 106 - HA LYS+ 112 8.333% * 0.0895% (0.97 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 65 - HA LYS+ 112 8.333% * 0.0850% (0.92 1.0 1.00 0.02 0.02) = 0.085% HG3 LYS+ 33 - HA LYS+ 112 8.333% * 0.0788% (0.85 1.0 1.00 0.02 0.02) = 0.079% QB ALA 12 - HA LYS+ 112 8.333% * 0.0365% (0.40 1.0 1.00 0.02 0.02) = 0.037% HB3 PRO 93 - HA LYS+ 112 8.333% * 0.0327% (0.35 1.0 1.00 0.02 0.02) = 0.033% QB ALA 84 - HA LYS+ 112 8.333% * 0.0290% (0.31 1.0 1.00 0.02 0.02) = 0.029% HG LEU 98 - HA LYS+ 112 8.333% * 0.0196% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB LEU 98 - HA LYS+ 112 8.333% * 0.0146% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1421 (0.36, 3.46, 61.33 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 5.92, residual support = 198.2: * O T HG2 LYS+ 112 - HA LYS+ 112 33.333% * 99.4693% (1.00 10.0 10.00 5.95 199.22) = 99.469% kept QB ALA 47 - HA LYS+ 112 33.333% * 0.4539% (0.63 1.0 1.00 0.14 0.02) = 0.454% QG1 VAL 42 - HA LYS+ 112 33.333% * 0.0768% (0.77 1.0 1.00 0.02 0.02) = 0.077% Peak 1422 (1.05, 3.46, 61.33 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.62, residual support = 198.9: * O T HG3 LYS+ 112 - HA LYS+ 112 25.000% * 99.8592% (1.00 10.0 10.00 5.63 199.22) = 99.859% kept HG LEU 63 - HA LYS+ 112 25.000% * 0.0678% (0.68 1.0 1.00 0.02 0.23) = 0.068% QG2 VAL 24 - HA LYS+ 112 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QG2 VAL 108 - HA LYS+ 112 25.000% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1423 (1.20, 3.46, 61.33 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 5.69, residual support = 192.2: * T HD2 LYS+ 112 - HA LYS+ 112 16.667% * 57.1623% (1.00 1.0 10.00 5.26 199.22) = 57.162% kept O T HB3 LYS+ 112 - HA LYS+ 112 16.667% * 38.8106% (0.68 10.0 10.00 6.40 199.22) = 38.811% kept HG3 LYS+ 111 - HA LYS+ 112 16.667% * 3.7278% (0.24 1.0 1.00 5.35 25.68) = 3.728% kept QG2 THR 94 - HA LYS+ 112 16.667% * 0.2323% (0.73 1.0 1.00 0.11 0.58) = 0.232% HB3 LEU 71 - HA LYS+ 112 16.667% * 0.0564% (0.99 1.0 1.00 0.02 0.02) = 0.056% HG12 ILE 89 - HA LYS+ 112 16.667% * 0.0105% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 1424 (3.46, 1.37, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 5.88, residual support = 197.1: * O T HA LYS+ 112 - HB2 LYS+ 112 16.667% * 98.9356% (1.00 10.0 10.00 5.94 199.22) = 98.936% kept T HA LYS+ 112 - HB VAL 42 16.667% * 0.8139% (0.82 1.0 10.00 0.02 0.02) = 0.814% HB2 HIS 122 - HB2 LYS+ 112 16.667% * 0.0846% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 HIS 122 - HB VAL 42 16.667% * 0.0696% (0.70 1.0 1.00 0.02 0.02) = 0.070% HB THR 46 - HB2 LYS+ 112 16.667% * 0.0528% (0.53 1.0 1.00 0.02 0.64) = 0.053% HB THR 46 - HB VAL 42 16.667% * 0.0435% (0.44 1.0 1.00 0.02 0.26) = 0.043% Peak 1425 (1.37, 1.37, 32.81 ppm): 2 diagonal assignments: * HB2 LYS+ 112 - HB2 LYS+ 112 (1.00) kept HB VAL 42 - HB VAL 42 (0.76) kept Peak 1426 (0.36, 1.37, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.82, support = 4.91, residual support = 125.4: * O T HG2 LYS+ 112 - HB2 LYS+ 112 16.667% * 51.5323% (1.00 10.0 10.00 6.58 199.22) = 51.532% kept O T QG1 VAL 42 - HB VAL 42 16.667% * 32.7142% (0.63 10.0 10.00 4.42 69.25) = 32.714% kept T QB ALA 47 - HB VAL 42 16.667% * 7.6124% (0.52 1.0 10.00 0.57 0.44) = 7.612% kept T QG1 VAL 42 - HB2 LYS+ 112 16.667% * 7.3920% (0.77 1.0 10.00 0.37 0.02) = 7.392% kept T HG2 LYS+ 112 - HB VAL 42 16.667% * 0.4239% (0.82 1.0 10.00 0.02 0.02) = 0.424% T QB ALA 47 - HB2 LYS+ 112 16.667% * 0.3251% (0.63 1.0 10.00 0.02 0.02) = 0.325% Peak 1427 (1.05, 1.37, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 5.55, residual support = 197.1: * O T HG3 LYS+ 112 - HB2 LYS+ 112 12.500% * 98.9319% (1.00 10.0 10.00 5.61 199.22) = 98.932% kept T HG3 LYS+ 112 - HB VAL 42 12.500% * 0.8139% (0.82 1.0 10.00 0.02 0.02) = 0.814% HG LEU 63 - HB2 LYS+ 112 12.500% * 0.0672% (0.68 1.0 1.00 0.02 0.23) = 0.067% HG LEU 63 - HB VAL 42 12.500% * 0.0553% (0.56 1.0 1.00 0.02 0.02) = 0.055% QG2 VAL 24 - HB2 LYS+ 112 12.500% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 24 - HB VAL 42 12.500% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% QG2 VAL 108 - HB2 LYS+ 112 12.500% * 0.0241% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG2 VAL 108 - HB VAL 42 12.500% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1428 (1.20, 1.37, 32.81 ppm): 12 chemical-shift based assignments, quality = 0.838, support = 6.28, residual support = 190.8: * O T HD2 LYS+ 112 - HB2 LYS+ 112 8.333% * 56.7654% (1.00 10.0 10.00 5.92 199.22) = 56.765% kept O T HB3 LYS+ 112 - HB2 LYS+ 112 8.333% * 38.5412% (0.68 10.0 10.00 7.05 199.22) = 38.541% kept HG3 LYS+ 111 - HB2 LYS+ 112 8.333% * 3.7016% (0.24 1.0 1.00 5.35 25.68) = 3.702% kept T HD2 LYS+ 112 - HB VAL 42 8.333% * 0.4670% (0.82 1.0 10.00 0.02 0.02) = 0.467% T HB3 LYS+ 112 - HB VAL 42 8.333% * 0.3171% (0.56 1.0 10.00 0.02 0.02) = 0.317% HB3 LEU 71 - HB2 LYS+ 112 8.333% * 0.0560% (0.99 1.0 1.00 0.02 0.02) = 0.056% HB3 LEU 71 - HB VAL 42 8.333% * 0.0461% (0.81 1.0 1.00 0.02 0.10) = 0.046% QG2 THR 94 - HB2 LYS+ 112 8.333% * 0.0412% (0.73 1.0 1.00 0.02 0.58) = 0.041% QG2 THR 94 - HB VAL 42 8.333% * 0.0339% (0.60 1.0 1.00 0.02 0.02) = 0.034% HG3 LYS+ 111 - HB VAL 42 8.333% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% HG12 ILE 89 - HB2 LYS+ 112 8.333% * 0.0104% (0.18 1.0 1.00 0.02 0.02) = 0.010% HG12 ILE 89 - HB VAL 42 8.333% * 0.0086% (0.15 1.0 1.00 0.02 0.02) = 0.009% Peak 1429 (3.46, 0.36, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.94, residual support = 198.9: * O T HA LYS+ 112 - HG2 LYS+ 112 33.333% * 99.8613% (1.00 10.0 10.00 5.95 199.22) = 99.861% kept HB2 HIS 122 - HG2 LYS+ 112 33.333% * 0.0854% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB THR 46 - HG2 LYS+ 112 33.333% * 0.0533% (0.53 1.0 1.00 0.02 0.64) = 0.053% Peak 1430 (1.37, 0.36, 25.56 ppm): 12 chemical-shift based assignments, quality = 0.986, support = 6.38, residual support = 193.1: * O T HB2 LYS+ 112 - HG2 LYS+ 112 8.333% * 96.8945% (1.00 10.0 10.00 6.58 199.22) = 96.895% kept HB3 LEU 73 - HG2 LYS+ 112 8.333% * 1.7097% (0.97 1.0 1.00 0.36 2.51) = 1.710% kept T HB VAL 42 - HG2 LYS+ 112 8.333% * 0.8944% (0.92 1.0 10.00 0.02 0.02) = 0.894% HG3 LYS+ 102 - HG2 LYS+ 112 8.333% * 0.0957% (0.99 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 106 - HG2 LYS+ 112 8.333% * 0.0941% (0.97 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 65 - HG2 LYS+ 112 8.333% * 0.0894% (0.92 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 33 - HG2 LYS+ 112 8.333% * 0.0828% (0.85 1.0 1.00 0.02 0.02) = 0.083% QB ALA 12 - HG2 LYS+ 112 8.333% * 0.0384% (0.40 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 93 - HG2 LYS+ 112 8.333% * 0.0344% (0.35 1.0 1.00 0.02 0.02) = 0.034% QB ALA 84 - HG2 LYS+ 112 8.333% * 0.0305% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG LEU 98 - HG2 LYS+ 112 8.333% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% QB LEU 98 - HG2 LYS+ 112 8.333% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1431 (0.36, 0.36, 25.56 ppm): 1 diagonal assignment: * HG2 LYS+ 112 - HG2 LYS+ 112 (1.00) kept Peak 1432 (1.05, 0.36, 25.56 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 6.86, residual support = 197.6: * O T HG3 LYS+ 112 - HG2 LYS+ 112 25.000% * 99.1737% (1.00 10.0 10.00 6.92 199.22) = 99.174% kept HG LEU 63 - HG2 LYS+ 112 25.000% * 0.7538% (0.68 1.0 1.00 0.22 0.23) = 0.754% QG2 VAL 24 - HG2 LYS+ 112 25.000% * 0.0483% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 108 - HG2 LYS+ 112 25.000% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1433 (1.20, 0.36, 25.56 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 6.49, residual support = 192.0: * O T HD2 LYS+ 112 - HG2 LYS+ 112 16.667% * 57.0801% (1.00 10.0 10.00 6.32 199.22) = 57.080% kept O T HB3 LYS+ 112 - HG2 LYS+ 112 16.667% * 38.7548% (0.68 10.0 10.00 6.83 199.22) = 38.755% kept HG3 LYS+ 111 - HG2 LYS+ 112 16.667% * 4.0568% (0.24 1.0 1.00 5.83 25.68) = 4.057% kept HB3 LEU 71 - HG2 LYS+ 112 16.667% * 0.0564% (0.99 1.0 1.00 0.02 0.02) = 0.056% QG2 THR 94 - HG2 LYS+ 112 16.667% * 0.0414% (0.73 1.0 1.00 0.02 0.58) = 0.041% HG12 ILE 89 - HG2 LYS+ 112 16.667% * 0.0105% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 1434 (3.46, 1.05, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 5.56, residual support = 196.4: * O T HA LYS+ 112 - HG3 LYS+ 112 33.333% * 98.5603% (1.00 10.0 10.00 5.63 199.22) = 98.560% kept HB THR 46 - HG3 LYS+ 112 33.333% * 1.3554% (0.53 1.0 1.00 0.51 0.64) = 1.355% kept HB2 HIS 122 - HG3 LYS+ 112 33.333% * 0.0843% (0.85 1.0 1.00 0.02 0.02) = 0.084% Peak 1435 (1.37, 1.05, 25.56 ppm): 12 chemical-shift based assignments, quality = 0.982, support = 5.37, residual support = 190.1: * O T HB2 LYS+ 112 - HG3 LYS+ 112 8.333% * 95.3745% (1.00 10.0 10.00 5.61 199.22) = 95.374% kept HB3 LEU 73 - HG3 LYS+ 112 8.333% * 2.9115% (0.97 1.0 1.00 0.63 2.51) = 2.912% kept T HB VAL 42 - HG3 LYS+ 112 8.333% * 0.8804% (0.92 1.0 10.00 0.02 0.02) = 0.880% HG3 LYS+ 65 - HG3 LYS+ 112 8.333% * 0.4282% (0.92 1.0 1.00 0.10 0.02) = 0.428% HG3 LYS+ 102 - HG3 LYS+ 112 8.333% * 0.0942% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 106 - HG3 LYS+ 112 8.333% * 0.0927% (0.97 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 33 - HG3 LYS+ 112 8.333% * 0.0815% (0.85 1.0 1.00 0.02 0.02) = 0.082% QB ALA 12 - HG3 LYS+ 112 8.333% * 0.0378% (0.40 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 93 - HG3 LYS+ 112 8.333% * 0.0338% (0.35 1.0 1.00 0.02 0.02) = 0.034% QB ALA 84 - HG3 LYS+ 112 8.333% * 0.0300% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 98 - HG3 LYS+ 112 8.333% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB LEU 98 - HG3 LYS+ 112 8.333% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1436 (0.36, 1.05, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 6.88, residual support = 198.1: * O T HG2 LYS+ 112 - HG3 LYS+ 112 33.333% * 99.4127% (1.00 10.0 10.00 6.92 199.22) = 99.413% kept QB ALA 47 - HG3 LYS+ 112 33.333% * 0.5106% (0.63 1.0 1.00 0.16 0.02) = 0.511% QG1 VAL 42 - HG3 LYS+ 112 33.333% * 0.0767% (0.77 1.0 1.00 0.02 0.02) = 0.077% Peak 1437 (1.05, 1.05, 25.56 ppm): 1 diagonal assignment: * HG3 LYS+ 112 - HG3 LYS+ 112 (1.00) kept Peak 1438 (1.20, 1.05, 25.56 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 6.06, residual support = 192.1: * O T HD2 LYS+ 112 - HG3 LYS+ 112 16.667% * 57.1415% (1.00 10.0 10.00 5.57 199.22) = 57.141% kept O HB3 LYS+ 112 - HG3 LYS+ 112 16.667% * 38.7965% (0.68 10.0 1.00 6.84 199.22) = 38.797% kept HG3 LYS+ 111 - HG3 LYS+ 112 16.667% * 3.9536% (0.24 1.0 1.00 5.67 25.68) = 3.954% kept HB3 LEU 71 - HG3 LYS+ 112 16.667% * 0.0564% (0.99 1.0 1.00 0.02 0.02) = 0.056% QG2 THR 94 - HG3 LYS+ 112 16.667% * 0.0415% (0.73 1.0 1.00 0.02 0.58) = 0.041% HG12 ILE 89 - HG3 LYS+ 112 16.667% * 0.0105% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 1439 (3.46, 1.20, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.996, support = 5.24, residual support = 198.4: * T HA LYS+ 112 - HD2 LYS+ 112 33.333% * 99.5877% (1.00 10.00 5.26 199.22) = 99.588% kept HB THR 46 - HD2 LYS+ 112 33.333% * 0.3272% (0.53 1.00 0.12 0.64) = 0.327% HB2 HIS 122 - HD2 LYS+ 112 33.333% * 0.0851% (0.85 1.00 0.02 0.02) = 0.085% Peak 1440 (1.37, 1.20, 29.98 ppm): 12 chemical-shift based assignments, quality = 0.978, support = 5.8, residual support = 194.9: * O T HB2 LYS+ 112 - HD2 LYS+ 112 8.333% * 97.8489% (1.00 10.0 10.00 5.92 199.22) = 97.849% kept T HB VAL 42 - HD2 LYS+ 112 8.333% * 0.9033% (0.92 1.0 10.00 0.02 0.02) = 0.903% HB3 LEU 73 - HD2 LYS+ 112 8.333% * 0.7416% (0.97 1.0 1.00 0.16 2.51) = 0.742% HG3 LYS+ 102 - HD2 LYS+ 112 8.333% * 0.0966% (0.99 1.0 1.00 0.02 0.02) = 0.097% HG3 LYS+ 106 - HD2 LYS+ 112 8.333% * 0.0951% (0.97 1.0 1.00 0.02 0.02) = 0.095% HG3 LYS+ 65 - HD2 LYS+ 112 8.333% * 0.0903% (0.92 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 33 - HD2 LYS+ 112 8.333% * 0.0836% (0.85 1.0 1.00 0.02 0.02) = 0.084% QB ALA 12 - HD2 LYS+ 112 8.333% * 0.0388% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 93 - HD2 LYS+ 112 8.333% * 0.0347% (0.35 1.0 1.00 0.02 0.02) = 0.035% QB ALA 84 - HD2 LYS+ 112 8.333% * 0.0308% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG LEU 98 - HD2 LYS+ 112 8.333% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% QB LEU 98 - HD2 LYS+ 112 8.333% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1441 (0.36, 1.20, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.31, residual support = 198.9: * O T HG2 LYS+ 112 - HD2 LYS+ 112 33.333% * 99.8600% (1.00 10.0 10.00 6.32 199.22) = 99.860% kept QG1 VAL 42 - HD2 LYS+ 112 33.333% * 0.0771% (0.77 1.0 1.00 0.02 0.02) = 0.077% QB ALA 47 - HD2 LYS+ 112 33.333% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% Peak 1442 (1.05, 1.20, 29.98 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 5.53, residual support = 197.9: * O T HG3 LYS+ 112 - HD2 LYS+ 112 25.000% * 99.3190% (1.00 10.0 10.00 5.57 199.22) = 99.319% kept HG LEU 63 - HD2 LYS+ 112 25.000% * 0.6085% (0.68 1.0 1.00 0.18 0.23) = 0.608% QG2 VAL 24 - HD2 LYS+ 112 25.000% * 0.0483% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG2 VAL 108 - HD2 LYS+ 112 25.000% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1443 (1.20, 1.20, 29.98 ppm): 1 diagonal assignment: * HD2 LYS+ 112 - HD2 LYS+ 112 (1.00) kept Peak 1444 (4.37, 4.37, 57.38 ppm): 1 diagonal assignment: * HA ASP- 113 - HA ASP- 113 (1.00) kept Peak 1445 (2.68, 4.37, 57.38 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.9: * O T QB ASP- 113 - HA ASP- 113 100.000% *100.0000% (1.00 10.0 10.00 2.00 13.88) = 100.000% kept Peak 1446 (4.37, 2.68, 39.79 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 1.99, residual support = 13.8: * O T HA ASP- 113 - QB ASP- 113 16.667% * 99.7282% (1.00 10.0 10.00 2.00 13.88) = 99.728% kept HA LYS+ 99 - QB ASP- 113 16.667% * 0.0770% (0.77 1.0 1.00 0.02 0.02) = 0.077% HA ASN 35 - QB ASP- 113 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA ILE 56 - QB ASP- 113 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA PHE 59 - QB ASP- 113 16.667% * 0.0440% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA LEU 123 - QB ASP- 113 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% Peak 1447 (2.68, 2.68, 39.79 ppm): 1 diagonal assignment: * QB ASP- 113 - QB ASP- 113 (1.00) kept Peak 1448 (4.14, 4.14, 59.59 ppm): 2 diagonal assignments: * HA GLU- 114 - HA GLU- 114 (1.00) kept HA LEU 115 - HA LEU 115 (0.23) kept Peak 1449 (2.00, 4.14, 59.59 ppm): 16 chemical-shift based assignments, quality = 0.786, support = 3.64, residual support = 29.6: * O T QB GLU- 114 - HA GLU- 114 6.250% * 70.3564% (0.95 10.0 10.00 3.44 32.65) = 70.356% kept T QB GLU- 114 - HA LEU 115 6.250% * 27.4471% (0.37 1.0 10.00 4.43 24.27) = 27.447% kept HB3 GLU- 25 - HA GLU- 114 6.250% * 1.7512% (0.92 1.0 1.00 0.51 0.89) = 1.751% kept HB ILE 19 - HA GLU- 114 6.250% * 0.0660% (0.89 1.0 1.00 0.02 0.02) = 0.066% HG2 PRO 68 - HA GLU- 114 6.250% * 0.0603% (0.81 1.0 1.00 0.02 0.02) = 0.060% HB2 GLN 17 - HA GLU- 114 6.250% * 0.0538% (0.73 1.0 1.00 0.02 0.02) = 0.054% QB GLU- 15 - HA GLU- 114 6.250% * 0.0538% (0.73 1.0 1.00 0.02 0.02) = 0.054% HB2 LYS+ 111 - HA GLU- 114 6.250% * 0.0467% (0.63 1.0 1.00 0.02 0.49) = 0.047% HB3 GLU- 25 - HA LEU 115 6.250% * 0.0267% (0.36 1.0 1.00 0.02 0.02) = 0.027% HB ILE 19 - HA LEU 115 6.250% * 0.0257% (0.35 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 68 - HA LEU 115 6.250% * 0.0235% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB2 GLN 17 - HA LEU 115 6.250% * 0.0210% (0.28 1.0 1.00 0.02 0.02) = 0.021% QB GLU- 15 - HA LEU 115 6.250% * 0.0210% (0.28 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 68 - HA GLU- 114 6.250% * 0.0206% (0.28 1.0 1.00 0.02 0.02) = 0.021% HB2 LYS+ 111 - HA LEU 115 6.250% * 0.0182% (0.25 1.0 1.00 0.02 0.02) = 0.018% HB3 PRO 68 - HA LEU 115 6.250% * 0.0080% (0.11 1.0 1.00 0.02 0.02) = 0.008% Peak 1450 (2.31, 4.14, 59.59 ppm): 14 chemical-shift based assignments, quality = 0.809, support = 3.62, residual support = 29.7: * O T QG GLU- 114 - HA GLU- 114 7.143% * 70.4051% (1.00 10.0 10.00 3.39 32.65) = 70.405% kept T QG GLU- 114 - HA LEU 115 7.143% * 27.4661% (0.39 1.0 10.00 4.51 24.27) = 27.466% kept HG2 PRO 52 - HA GLU- 114 7.143% * 0.9798% (0.58 1.0 1.00 0.48 0.02) = 0.980% HG3 GLU- 25 - HA GLU- 114 7.143% * 0.8112% (0.35 1.0 1.00 0.65 0.89) = 0.811% HG3 GLU- 36 - HA GLU- 114 7.143% * 0.0704% (1.00 1.0 1.00 0.02 0.02) = 0.070% HG2 MET 92 - HA GLU- 114 7.143% * 0.0704% (1.00 1.0 1.00 0.02 0.02) = 0.070% HB2 GLU- 79 - HA GLU- 114 7.143% * 0.0686% (0.97 1.0 1.00 0.02 0.02) = 0.069% HG3 GLU- 36 - HA LEU 115 7.143% * 0.0275% (0.39 1.0 1.00 0.02 0.02) = 0.027% HG2 MET 92 - HA LEU 115 7.143% * 0.0275% (0.39 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 79 - HA LEU 115 7.143% * 0.0268% (0.38 1.0 1.00 0.02 0.02) = 0.027% HG2 PRO 52 - HA LEU 115 7.143% * 0.0160% (0.23 1.0 1.00 0.02 0.02) = 0.016% QB MET 11 - HA GLU- 114 7.143% * 0.0150% (0.21 1.0 1.00 0.02 0.02) = 0.015% HG3 GLU- 25 - HA LEU 115 7.143% * 0.0098% (0.14 1.0 1.00 0.02 0.02) = 0.010% QB MET 11 - HA LEU 115 7.143% * 0.0059% (0.08 1.0 1.00 0.02 0.02) = 0.006% Peak 1451 (4.14, 2.00, 29.90 ppm): 6 chemical-shift based assignments, quality = 0.803, support = 3.79, residual support = 29.5: * O T HA GLU- 114 - QB GLU- 114 16.667% * 63.0792% (0.95 10.0 10.00 3.44 32.65) = 63.079% kept T HA LEU 115 - QB GLU- 114 16.667% * 36.7299% (0.55 1.0 10.00 4.43 24.27) = 36.730% kept HA1 GLY 101 - QB GLU- 114 16.667% * 0.0599% (0.90 1.0 1.00 0.02 0.02) = 0.060% HA THR 26 - QB GLU- 114 16.667% * 0.0487% (0.73 1.0 1.00 0.02 0.02) = 0.049% HA ALA 34 - QB GLU- 114 16.667% * 0.0487% (0.73 1.0 1.00 0.02 0.02) = 0.049% HA ASN 28 - QB GLU- 114 16.667% * 0.0337% (0.51 1.0 1.00 0.02 0.02) = 0.034% Peak 1452 (2.00, 2.00, 29.90 ppm): 1 diagonal assignment: * QB GLU- 114 - QB GLU- 114 (0.90) kept Peak 1453 (2.31, 2.00, 29.90 ppm): 7 chemical-shift based assignments, quality = 0.865, support = 2.75, residual support = 28.2: * O T QG GLU- 114 - QB GLU- 114 14.286% * 86.1718% (0.95 10.0 10.00 3.07 32.65) = 86.172% kept T HG3 GLU- 25 - QB GLU- 114 14.286% * 12.0286% (0.34 1.0 10.00 0.78 0.89) = 12.029% kept HG2 PRO 52 - QB GLU- 114 14.286% * 1.5249% (0.55 1.0 1.00 0.61 0.02) = 1.525% kept HG2 MET 92 - QB GLU- 114 14.286% * 0.0862% (0.95 1.0 1.00 0.02 0.02) = 0.086% HG3 GLU- 36 - QB GLU- 114 14.286% * 0.0862% (0.95 1.0 1.00 0.02 0.02) = 0.086% HB2 GLU- 79 - QB GLU- 114 14.286% * 0.0840% (0.92 1.0 1.00 0.02 0.02) = 0.084% QB MET 11 - QB GLU- 114 14.286% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 1454 (4.14, 2.31, 37.32 ppm): 6 chemical-shift based assignments, quality = 0.842, support = 3.79, residual support = 29.5: * O T HA GLU- 114 - QG GLU- 114 16.667% * 63.0792% (1.00 10.0 10.00 3.39 32.65) = 63.079% kept T HA LEU 115 - QG GLU- 114 16.667% * 36.7299% (0.58 1.0 10.00 4.51 24.27) = 36.730% kept HA1 GLY 101 - QG GLU- 114 16.667% * 0.0599% (0.95 1.0 1.00 0.02 0.02) = 0.060% HA THR 26 - QG GLU- 114 16.667% * 0.0487% (0.77 1.0 1.00 0.02 0.02) = 0.049% HA ALA 34 - QG GLU- 114 16.667% * 0.0487% (0.77 1.0 1.00 0.02 0.02) = 0.049% HA ASN 28 - QG GLU- 114 16.667% * 0.0337% (0.53 1.0 1.00 0.02 0.02) = 0.034% Peak 1455 (2.00, 2.31, 37.32 ppm): 8 chemical-shift based assignments, quality = 0.937, support = 2.44, residual support = 24.1: * O T QB GLU- 114 - QG GLU- 114 12.500% * 72.9755% (0.95 10.0 10.00 3.07 32.65) = 72.976% kept T HB3 GLU- 25 - QG GLU- 114 12.500% * 26.7121% (0.92 1.0 10.00 0.75 0.89) = 26.712% kept HB ILE 19 - QG GLU- 114 12.500% * 0.0685% (0.89 1.0 1.00 0.02 0.02) = 0.068% HG2 PRO 68 - QG GLU- 114 12.500% * 0.0626% (0.81 1.0 1.00 0.02 0.02) = 0.063% QB GLU- 15 - QG GLU- 114 12.500% * 0.0558% (0.72 1.0 1.00 0.02 0.02) = 0.056% HB2 GLN 17 - QG GLU- 114 12.500% * 0.0558% (0.72 1.0 1.00 0.02 0.02) = 0.056% HB2 LYS+ 111 - QG GLU- 114 12.500% * 0.0484% (0.63 1.0 1.00 0.02 0.49) = 0.048% HB3 PRO 68 - QG GLU- 114 12.500% * 0.0214% (0.28 1.0 1.00 0.02 0.02) = 0.021% Peak 1456 (2.31, 2.31, 37.32 ppm): 1 diagonal assignment: * QG GLU- 114 - QG GLU- 114 (0.99) kept Peak 1457 (4.12, 4.12, 59.41 ppm): 3 diagonal assignments: * HA LEU 115 - HA LEU 115 (0.60) kept HA ARG+ 54 - HA ARG+ 54 (0.40) kept HA GLU- 114 - HA GLU- 114 (0.03) kept Peak 1458 (1.98, 4.12, 59.41 ppm): 24 chemical-shift based assignments, quality = 0.53, support = 4.63, residual support = 103.2: * O T HB2 LEU 115 - HA LEU 115 4.167% * 51.9093% (0.77 10.0 10.00 6.11 175.92) = 51.909% kept T HB2 LEU 115 - HA ARG+ 54 4.167% * 21.6621% (0.45 1.0 10.00 1.42 0.95) = 21.662% kept T HB2 LEU 115 - HA GLU- 114 4.167% * 9.5772% (0.14 1.0 10.00 4.51 24.27) = 9.577% kept T QB GLU- 114 - HA LEU 115 4.167% * 9.5515% (0.14 1.0 10.00 4.43 24.27) = 9.551% kept O HB3 ARG+ 54 - HA ARG+ 54 4.167% * 4.8148% (0.07 10.0 1.00 4.85 133.22) = 4.815% kept O T QB GLU- 114 - HA GLU- 114 4.167% * 1.7622% (0.03 10.0 10.00 3.44 32.65) = 1.762% kept HG3 PRO 58 - HA LEU 115 4.167% * 0.5132% (0.77 1.0 1.00 0.20 0.20) = 0.513% HB2 LEU 67 - HA LEU 115 4.167% * 0.0377% (0.56 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 58 - HA ARG+ 54 4.167% * 0.0303% (0.45 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 67 - HA ARG+ 54 4.167% * 0.0221% (0.33 1.0 1.00 0.02 0.18) = 0.022% HB VAL 18 - HA LEU 115 4.167% * 0.0206% (0.31 1.0 1.00 0.02 0.02) = 0.021% HG2 PRO 68 - HA LEU 115 4.167% * 0.0164% (0.24 1.0 1.00 0.02 0.02) = 0.016% HB ILE 19 - HA LEU 115 4.167% * 0.0127% (0.19 1.0 1.00 0.02 0.02) = 0.013% HB VAL 18 - HA ARG+ 54 4.167% * 0.0121% (0.18 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 68 - HA ARG+ 54 4.167% * 0.0096% (0.14 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 58 - HA GLU- 114 4.167% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB3 ARG+ 54 - HA LEU 115 4.167% * 0.0082% (0.12 1.0 1.00 0.02 0.95) = 0.008% HB ILE 19 - HA ARG+ 54 4.167% * 0.0074% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 67 - HA GLU- 114 4.167% * 0.0070% (0.10 1.0 1.00 0.02 0.02) = 0.007% QB GLU- 114 - HA ARG+ 54 4.167% * 0.0056% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB VAL 18 - HA GLU- 114 4.167% * 0.0038% (0.06 1.0 1.00 0.02 0.02) = 0.004% HG2 PRO 68 - HA GLU- 114 4.167% * 0.0030% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB ILE 19 - HA GLU- 114 4.167% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 ARG+ 54 - HA GLU- 114 4.167% * 0.0015% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1459 (1.48, 4.12, 59.41 ppm): 27 chemical-shift based assignments, quality = 0.427, support = 4.39, residual support = 115.1: * O T HG LEU 115 - HA LEU 115 3.704% * 51.9600% (0.63 10.0 10.00 5.69 175.92) = 51.960% kept T HG LEU 115 - HA ARG+ 54 3.704% * 15.8963% (0.37 1.0 10.00 1.04 0.95) = 15.896% kept O T HB3 LEU 115 - HA LEU 115 3.704% * 11.7338% (0.14 10.0 10.00 6.39 175.92) = 11.734% kept T HG LEU 115 - HA GLU- 114 3.704% * 9.5866% (0.12 1.0 10.00 4.11 24.27) = 9.587% kept T HB3 LEU 115 - HA ARG+ 54 3.704% * 2.8401% (0.08 1.0 10.00 0.83 0.95) = 2.840% kept T HG LEU 67 - HA ARG+ 54 3.704% * 2.7552% (0.13 1.0 10.00 0.53 0.18) = 2.755% kept T HB3 LEU 115 - HA GLU- 114 3.704% * 2.1649% (0.03 1.0 10.00 3.92 24.27) = 2.165% kept T HB3 LEU 40 - HA ARG+ 54 3.704% * 1.7553% (0.45 1.0 10.00 0.10 0.02) = 1.755% kept T HB3 LEU 40 - HA LEU 115 3.704% * 0.6296% (0.76 1.0 10.00 0.02 0.02) = 0.630% T QG2 THR 26 - HA LEU 115 3.704% * 0.1355% (0.16 1.0 10.00 0.02 0.02) = 0.136% T HG LEU 40 - HA LEU 115 3.704% * 0.1173% (0.14 1.0 10.00 0.02 0.02) = 0.117% T HB3 LEU 40 - HA GLU- 114 3.704% * 0.1162% (0.14 1.0 10.00 0.02 0.02) = 0.116% T HG LEU 40 - HA ARG+ 54 3.704% * 0.0687% (0.08 1.0 10.00 0.02 0.02) = 0.069% QB ALA 120 - HA LEU 115 3.704% * 0.0520% (0.63 1.0 1.00 0.02 0.02) = 0.052% HB2 LYS+ 74 - HA LEU 115 3.704% * 0.0310% (0.38 1.0 1.00 0.02 0.02) = 0.031% QB ALA 120 - HA ARG+ 54 3.704% * 0.0304% (0.37 1.0 1.00 0.02 0.02) = 0.030% T QG2 THR 26 - HA GLU- 114 3.704% * 0.0250% (0.03 1.0 10.00 0.02 0.02) = 0.025% T HG LEU 40 - HA GLU- 114 3.704% * 0.0216% (0.03 1.0 10.00 0.02 0.02) = 0.022% HB2 LYS+ 74 - HA ARG+ 54 3.704% * 0.0182% (0.22 1.0 1.00 0.02 0.02) = 0.018% HG LEU 67 - HA LEU 115 3.704% * 0.0177% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 65 - HA LEU 115 3.704% * 0.0101% (0.12 1.0 1.00 0.02 1.91) = 0.010% QB ALA 120 - HA GLU- 114 3.704% * 0.0096% (0.12 1.0 1.00 0.02 0.02) = 0.010% QG2 THR 26 - HA ARG+ 54 3.704% * 0.0079% (0.10 1.0 1.00 0.02 0.02) = 0.008% HG2 LYS+ 65 - HA ARG+ 54 3.704% * 0.0059% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB2 LYS+ 74 - HA GLU- 114 3.704% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG LEU 67 - HA GLU- 114 3.704% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG2 LYS+ 65 - HA GLU- 114 3.704% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1460 (0.43, 4.12, 59.41 ppm): 6 chemical-shift based assignments, quality = 0.636, support = 4.79, residual support = 123.1: * T QD1 LEU 115 - HA LEU 115 16.667% * 68.1720% (0.77 10.00 6.01 175.92) = 68.172% kept T QD1 LEU 115 - HA ARG+ 54 16.667% * 17.0347% (0.45 10.00 0.85 0.95) = 17.035% kept T QD1 LEU 115 - HA GLU- 114 16.667% * 12.5776% (0.14 10.00 4.27 24.27) = 12.578% kept QG1 VAL 75 - HA LEU 115 16.667% * 2.1672% (0.71 1.00 0.69 0.02) = 2.167% kept QG1 VAL 75 - HA ARG+ 54 16.667% * 0.0369% (0.42 1.00 0.02 0.02) = 0.037% QG1 VAL 75 - HA GLU- 114 16.667% * 0.0116% (0.13 1.00 0.02 0.02) = 0.012% Peak 1461 (0.59, 4.12, 59.41 ppm): 21 chemical-shift based assignments, quality = 0.594, support = 4.78, residual support = 115.9: * T QD2 LEU 115 - HA LEU 115 4.762% * 64.1429% (0.73 10.00 6.37 175.92) = 64.143% kept T QD2 LEU 115 - HA ARG+ 54 4.762% * 17.5594% (0.43 10.00 0.93 0.95) = 17.559% kept T QD2 LEU 115 - HA GLU- 114 4.762% * 11.8343% (0.14 10.00 4.18 24.27) = 11.834% kept QD1 LEU 63 - HA LEU 115 4.762% * 2.4086% (0.71 1.00 0.77 0.02) = 2.409% kept QD1 LEU 73 - HA LEU 115 4.762% * 2.1211% (0.71 1.00 0.68 0.02) = 2.121% kept QD1 LEU 104 - HA LEU 115 4.762% * 0.9116% (0.52 1.00 0.40 0.02) = 0.912% QD2 LEU 80 - HA LEU 115 4.762% * 0.7915% (0.71 1.00 0.25 0.22) = 0.792% QD2 LEU 80 - HA ARG+ 54 4.762% * 0.0365% (0.42 1.00 0.02 0.02) = 0.037% QD1 LEU 63 - HA ARG+ 54 4.762% * 0.0365% (0.42 1.00 0.02 0.02) = 0.037% QD1 LEU 73 - HA ARG+ 54 4.762% * 0.0365% (0.42 1.00 0.02 0.02) = 0.037% QD1 LEU 104 - HA ARG+ 54 4.762% * 0.0269% (0.31 1.00 0.02 0.02) = 0.027% QD2 LEU 63 - HA LEU 115 4.762% * 0.0165% (0.19 1.00 0.02 0.02) = 0.016% QG1 VAL 83 - HA LEU 115 4.762% * 0.0124% (0.14 1.00 0.02 0.02) = 0.012% QD2 LEU 80 - HA GLU- 114 4.762% * 0.0115% (0.13 1.00 0.02 0.02) = 0.011% QD1 LEU 73 - HA GLU- 114 4.762% * 0.0115% (0.13 1.00 0.02 0.02) = 0.011% QD1 LEU 63 - HA GLU- 114 4.762% * 0.0115% (0.13 1.00 0.02 0.02) = 0.011% QD2 LEU 63 - HA ARG+ 54 4.762% * 0.0096% (0.11 1.00 0.02 0.02) = 0.010% QD1 LEU 104 - HA GLU- 114 4.762% * 0.0085% (0.10 1.00 0.02 0.02) = 0.008% QG1 VAL 83 - HA ARG+ 54 4.762% * 0.0073% (0.08 1.00 0.02 0.02) = 0.007% QD2 LEU 63 - HA GLU- 114 4.762% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% QG1 VAL 83 - HA GLU- 114 4.762% * 0.0023% (0.03 1.00 0.02 0.02) = 0.002% Peak 1462 (4.12, 1.98, 42.01 ppm): 9 chemical-shift based assignments, quality = 0.746, support = 3.98, residual support = 85.0: * O T HA LEU 115 - HB2 LEU 115 11.111% * 46.3515% (0.77 10.0 10.00 6.11 175.92) = 46.351% kept T HA ARG+ 54 - HB2 LEU 115 11.111% * 38.1274% (0.89 1.0 10.00 1.42 0.95) = 38.127% kept T HA GLU- 114 - HB2 LEU 115 11.111% * 12.7643% (0.21 1.0 10.00 4.51 24.27) = 12.764% kept HA ASN 28 - HB2 LEU 115 11.111% * 2.6264% (0.81 1.0 1.00 1.07 1.25) = 2.626% kept HA ALA 124 - HB2 LEU 115 11.111% * 0.0464% (0.77 1.0 1.00 0.02 0.02) = 0.046% HA ALA 34 - HB2 LEU 115 11.111% * 0.0350% (0.58 1.0 1.00 0.02 0.51) = 0.035% HA1 GLY 101 - HB2 LEU 115 11.111% * 0.0213% (0.35 1.0 1.00 0.02 0.02) = 0.021% HA LYS+ 81 - HB2 LEU 115 11.111% * 0.0167% (0.28 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 36 - HB2 LEU 115 11.111% * 0.0111% (0.18 1.0 1.00 0.02 0.02) = 0.011% Peak 1463 (1.98, 1.98, 42.01 ppm): 1 diagonal assignment: * HB2 LEU 115 - HB2 LEU 115 (1.00) kept Peak 1464 (1.48, 1.98, 42.01 ppm): 9 chemical-shift based assignments, quality = 0.689, support = 5.9, residual support = 173.5: * O T HG LEU 115 - HB2 LEU 115 11.111% * 80.4769% (0.81 10.0 10.00 5.88 175.92) = 80.477% kept O T HB3 LEU 115 - HB2 LEU 115 11.111% * 18.1736% (0.18 10.0 10.00 6.39 175.92) = 18.174% kept T HB3 LEU 40 - HB2 LEU 115 11.111% * 0.9751% (0.99 1.0 10.00 0.02 0.02) = 0.975% T HG LEU 40 - HB2 LEU 115 11.111% * 0.1817% (0.18 1.0 10.00 0.02 0.02) = 0.182% QB ALA 120 - HB2 LEU 115 11.111% * 0.0805% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 74 - HB2 LEU 115 11.111% * 0.0481% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG LEU 67 - HB2 LEU 115 11.111% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% QG2 THR 26 - HB2 LEU 115 11.111% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 LYS+ 65 - HB2 LEU 115 11.111% * 0.0156% (0.16 1.0 1.00 0.02 1.91) = 0.016% Peak 1465 (0.43, 1.98, 42.01 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 6.07, residual support = 170.1: * O T QD1 LEU 115 - HB2 LEU 115 50.000% * 96.6838% (1.00 10.0 10.00 6.25 175.92) = 96.684% kept QG1 VAL 75 - HB2 LEU 115 50.000% * 3.3162% (0.92 1.0 1.00 0.74 0.02) = 3.316% kept Peak 1466 (0.59, 1.98, 42.01 ppm): 7 chemical-shift based assignments, quality = 0.943, support = 6.02, residual support = 154.7: * O T QD2 LEU 115 - HB2 LEU 115 14.286% * 87.9458% (0.95 10.0 10.00 6.71 175.92) = 87.946% kept QD1 LEU 73 - HB2 LEU 115 14.286% * 6.1207% (0.92 1.0 1.00 1.43 0.02) = 6.121% kept QD1 LEU 63 - HB2 LEU 115 14.286% * 3.5463% (0.92 1.0 1.00 0.83 0.02) = 3.546% kept QD1 LEU 104 - HB2 LEU 115 14.286% * 1.2623% (0.68 1.0 1.00 0.40 0.02) = 1.262% kept QD2 LEU 80 - HB2 LEU 115 14.286% * 1.0852% (0.92 1.0 1.00 0.25 0.22) = 1.085% kept QD2 LEU 63 - HB2 LEU 115 14.286% * 0.0226% (0.24 1.0 1.00 0.02 0.02) = 0.023% QG1 VAL 83 - HB2 LEU 115 14.286% * 0.0170% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 1467 (4.12, 1.48, 26.92 ppm): 18 chemical-shift based assignments, quality = 0.592, support = 3.88, residual support = 95.1: * O T HA LEU 115 - HG LEU 115 5.556% * 51.9120% (0.63 10.0 10.00 5.69 175.92) = 51.912% kept T HA ARG+ 54 - HG LEU 115 5.556% * 31.3049% (0.73 1.0 10.00 1.04 0.95) = 31.305% kept T HA GLU- 114 - HG LEU 115 5.556% * 14.2956% (0.17 1.0 10.00 4.11 24.27) = 14.296% kept HA ASN 28 - HG LEU 115 5.556% * 2.0263% (0.66 1.0 1.00 0.74 1.25) = 2.026% kept T HA ARG+ 54 - HG LEU 40 5.556% * 0.1292% (0.16 1.0 10.00 0.02 0.02) = 0.129% T HA LEU 115 - HG LEU 40 5.556% * 0.1119% (0.14 1.0 10.00 0.02 0.02) = 0.112% HA ALA 124 - HG LEU 115 5.556% * 0.0519% (0.63 1.0 1.00 0.02 0.02) = 0.052% HA ALA 34 - HG LEU 115 5.556% * 0.0392% (0.47 1.0 1.00 0.02 0.51) = 0.039% T HA GLU- 114 - HG LEU 40 5.556% * 0.0308% (0.04 1.0 10.00 0.02 0.02) = 0.031% HA1 GLY 101 - HG LEU 115 5.556% * 0.0239% (0.29 1.0 1.00 0.02 0.02) = 0.024% HA LYS+ 81 - HG LEU 115 5.556% * 0.0187% (0.23 1.0 1.00 0.02 0.02) = 0.019% HA GLU- 36 - HG LEU 115 5.556% * 0.0124% (0.15 1.0 1.00 0.02 0.02) = 0.012% HA ASN 28 - HG LEU 40 5.556% * 0.0118% (0.14 1.0 1.00 0.02 0.02) = 0.012% HA ALA 124 - HG LEU 40 5.556% * 0.0112% (0.14 1.0 1.00 0.02 0.02) = 0.011% HA ALA 34 - HG LEU 40 5.556% * 0.0084% (0.10 1.0 1.00 0.02 0.32) = 0.008% HA1 GLY 101 - HG LEU 40 5.556% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA LYS+ 81 - HG LEU 40 5.556% * 0.0040% (0.05 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 36 - HG LEU 40 5.556% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1468 (1.98, 1.48, 26.92 ppm): 16 chemical-shift based assignments, quality = 0.779, support = 5.56, residual support = 162.9: * O T HB2 LEU 115 - HG LEU 115 6.250% * 92.1585% (0.81 10.0 10.00 5.88 175.92) = 92.158% kept T HB2 LEU 67 - HG LEU 115 6.250% * 3.9301% (0.59 1.0 10.00 0.12 0.02) = 3.930% kept QB GLU- 114 - HG LEU 115 6.250% * 3.3284% (0.15 1.0 1.00 3.93 24.27) = 3.328% kept T HB2 LEU 115 - HG LEU 40 6.250% * 0.1987% (0.18 1.0 10.00 0.02 0.02) = 0.199% T HB2 LEU 67 - HG LEU 40 6.250% * 0.1443% (0.13 1.0 10.00 0.02 0.02) = 0.144% HG3 PRO 58 - HG LEU 115 6.250% * 0.0919% (0.81 1.0 1.00 0.02 0.20) = 0.092% HB VAL 18 - HG LEU 115 6.250% * 0.0366% (0.32 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 68 - HG LEU 115 6.250% * 0.0290% (0.26 1.0 1.00 0.02 0.02) = 0.029% HB ILE 19 - HG LEU 115 6.250% * 0.0225% (0.20 1.0 1.00 0.02 0.02) = 0.022% HG3 PRO 58 - HG LEU 40 6.250% * 0.0198% (0.18 1.0 1.00 0.02 0.02) = 0.020% HB3 ARG+ 54 - HG LEU 115 6.250% * 0.0146% (0.13 1.0 1.00 0.02 0.95) = 0.015% HB VAL 18 - HG LEU 40 6.250% * 0.0079% (0.07 1.0 1.00 0.02 0.02) = 0.008% HG2 PRO 68 - HG LEU 40 6.250% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB ILE 19 - HG LEU 40 6.250% * 0.0048% (0.04 1.0 1.00 0.02 0.02) = 0.005% QB GLU- 114 - HG LEU 40 6.250% * 0.0037% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 ARG+ 54 - HG LEU 40 6.250% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1469 (1.48, 1.48, 26.92 ppm): 2 diagonal assignments: * HG LEU 115 - HG LEU 115 (0.66) kept HG LEU 40 - HG LEU 40 (0.03) kept Peak 1470 (0.43, 1.48, 26.92 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 5.53, residual support = 172.0: * O T QD1 LEU 115 - HG LEU 115 25.000% * 97.7463% (0.81 10.0 10.00 5.65 175.92) = 97.746% kept QG1 VAL 75 - HG LEU 115 25.000% * 2.0235% (0.75 1.0 1.00 0.45 0.02) = 2.024% kept T QD1 LEU 115 - HG LEU 40 25.000% * 0.2107% (0.18 1.0 10.00 0.02 0.02) = 0.211% QG1 VAL 75 - HG LEU 40 25.000% * 0.0195% (0.16 1.0 1.00 0.02 0.02) = 0.019% Peak 1471 (0.59, 1.48, 26.92 ppm): 14 chemical-shift based assignments, quality = 0.768, support = 5.71, residual support = 162.3: * O T QD2 LEU 115 - HG LEU 115 7.143% * 92.2739% (0.77 10.0 10.00 6.14 175.92) = 92.274% kept QD1 LEU 63 - HG LEU 115 7.143% * 2.7503% (0.75 1.0 1.00 0.61 0.02) = 2.750% kept QD1 LEU 73 - HG LEU 115 7.143% * 2.4923% (0.75 1.0 1.00 0.56 0.02) = 2.492% kept QD2 LEU 80 - HG LEU 115 7.143% * 1.1387% (0.75 1.0 1.00 0.25 0.22) = 1.139% kept QD1 LEU 104 - HG LEU 115 7.143% * 1.0232% (0.55 1.0 1.00 0.31 0.02) = 1.023% kept T QD2 LEU 115 - HG LEU 40 7.143% * 0.1989% (0.17 1.0 10.00 0.02 0.02) = 0.199% QD2 LEU 63 - HG LEU 115 7.143% * 0.0237% (0.20 1.0 1.00 0.02 0.02) = 0.024% QD1 LEU 73 - HG LEU 40 7.143% * 0.0193% (0.16 1.0 1.00 0.02 0.02) = 0.019% QD1 LEU 63 - HG LEU 40 7.143% * 0.0193% (0.16 1.0 1.00 0.02 0.02) = 0.019% QD2 LEU 80 - HG LEU 40 7.143% * 0.0193% (0.16 1.0 1.00 0.02 0.02) = 0.019% QG1 VAL 83 - HG LEU 115 7.143% * 0.0179% (0.15 1.0 1.00 0.02 0.02) = 0.018% QD1 LEU 104 - HG LEU 40 7.143% * 0.0142% (0.12 1.0 1.00 0.02 0.02) = 0.014% QD2 LEU 63 - HG LEU 40 7.143% * 0.0051% (0.04 1.0 1.00 0.02 0.02) = 0.005% QG1 VAL 83 - HG LEU 40 7.143% * 0.0039% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 1472 (4.12, 0.43, 25.13 ppm): 9 chemical-shift based assignments, quality = 0.719, support = 4.13, residual support = 98.1: * T HA LEU 115 - QD1 LEU 115 11.111% * 53.5369% (0.77 10.00 6.01 175.92) = 53.537% kept T HA ARG+ 54 - QD1 LEU 115 11.111% * 26.3694% (0.89 10.00 0.85 0.95) = 26.369% kept T HA GLU- 114 - QD1 LEU 115 11.111% * 14.7430% (0.21 10.00 4.27 24.27) = 14.743% kept HA ASN 28 - QD1 LEU 115 11.111% * 3.7256% (0.81 1.00 1.32 1.25) = 3.726% kept HA ALA 34 - QD1 LEU 115 11.111% * 1.5149% (0.58 1.00 0.75 0.51) = 1.515% kept HA ALA 124 - QD1 LEU 115 11.111% * 0.0535% (0.77 1.00 0.02 0.02) = 0.054% HA1 GLY 101 - QD1 LEU 115 11.111% * 0.0246% (0.35 1.00 0.02 0.02) = 0.025% HA LYS+ 81 - QD1 LEU 115 11.111% * 0.0193% (0.28 1.00 0.02 0.02) = 0.019% HA GLU- 36 - QD1 LEU 115 11.111% * 0.0128% (0.18 1.00 0.02 0.02) = 0.013% Peak 1473 (1.98, 0.43, 25.13 ppm): 8 chemical-shift based assignments, quality = 0.966, support = 6.05, residual support = 165.7: * O T HB2 LEU 115 - QD1 LEU 115 12.500% * 93.6623% (1.00 10.0 10.00 6.25 175.92) = 93.662% kept QB GLU- 114 - QD1 LEU 115 12.500% * 3.9713% (0.18 1.0 1.00 4.61 24.27) = 3.971% kept HG3 PRO 58 - QD1 LEU 115 12.500% * 2.1941% (1.00 1.0 1.00 0.47 0.20) = 2.194% kept HB2 LEU 67 - QD1 LEU 115 12.500% * 0.0680% (0.73 1.0 1.00 0.02 0.02) = 0.068% HB VAL 18 - QD1 LEU 115 12.500% * 0.0371% (0.40 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 68 - QD1 LEU 115 12.500% * 0.0295% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB ILE 19 - QD1 LEU 115 12.500% * 0.0228% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 ARG+ 54 - QD1 LEU 115 12.500% * 0.0148% (0.16 1.0 1.00 0.02 0.95) = 0.015% Peak 1474 (1.48, 0.43, 25.13 ppm): 9 chemical-shift based assignments, quality = 0.689, support = 5.72, residual support = 173.5: * O T HG LEU 115 - QD1 LEU 115 11.111% * 80.4769% (0.81 10.0 10.00 5.65 175.92) = 80.477% kept O T HB3 LEU 115 - QD1 LEU 115 11.111% * 18.1736% (0.18 10.0 10.00 6.48 175.92) = 18.174% kept T HB3 LEU 40 - QD1 LEU 115 11.111% * 0.9751% (0.99 1.0 10.00 0.02 0.02) = 0.975% T HG LEU 40 - QD1 LEU 115 11.111% * 0.1817% (0.18 1.0 10.00 0.02 0.02) = 0.182% QB ALA 120 - QD1 LEU 115 11.111% * 0.0805% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 74 - QD1 LEU 115 11.111% * 0.0481% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG LEU 67 - QD1 LEU 115 11.111% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% QG2 THR 26 - QD1 LEU 115 11.111% * 0.0210% (0.21 1.0 1.00 0.02 0.02) = 0.021% HG2 LYS+ 65 - QD1 LEU 115 11.111% * 0.0156% (0.16 1.0 1.00 0.02 1.91) = 0.016% Peak 1475 (0.43, 0.43, 25.13 ppm): 1 diagonal assignment: * QD1 LEU 115 - QD1 LEU 115 (1.00) kept Peak 1476 (0.59, 0.43, 25.13 ppm): 7 chemical-shift based assignments, quality = 0.938, support = 5.72, residual support = 157.7: * O T QD2 LEU 115 - QD1 LEU 115 14.286% * 89.6218% (0.95 10.0 10.00 6.31 175.92) = 89.622% kept QD2 LEU 80 - QD1 LEU 115 14.286% * 3.2963% (0.92 1.0 1.00 0.76 0.22) = 3.296% kept QD1 LEU 63 - QD1 LEU 115 14.286% * 3.2144% (0.92 1.0 1.00 0.74 0.02) = 3.214% kept QD1 LEU 73 - QD1 LEU 115 14.286% * 2.8455% (0.92 1.0 1.00 0.65 0.02) = 2.846% kept QD1 LEU 104 - QD1 LEU 115 14.286% * 0.9817% (0.68 1.0 1.00 0.31 0.02) = 0.982% QD2 LEU 63 - QD1 LEU 115 14.286% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% QG1 VAL 83 - QD1 LEU 115 14.286% * 0.0174% (0.18 1.0 1.00 0.02 0.02) = 0.017% Peak 1477 (4.12, 0.59, 23.43 ppm): 9 chemical-shift based assignments, quality = 0.684, support = 4.24, residual support = 93.3: * T HA LEU 115 - QD2 LEU 115 11.111% * 50.8995% (0.73 10.00 6.37 175.92) = 50.900% kept T HA ARG+ 54 - QD2 LEU 115 11.111% * 27.4658% (0.85 10.00 0.93 0.95) = 27.466% kept T HA GLU- 114 - QD2 LEU 115 11.111% * 14.0168% (0.20 10.00 4.18 24.27) = 14.017% kept HA ASN 28 - QD2 LEU 115 11.111% * 6.5138% (0.77 1.00 2.42 1.25) = 6.514% kept HA ALA 34 - QD2 LEU 115 11.111% * 0.9245% (0.55 1.00 0.48 0.51) = 0.925% HA LYS+ 81 - QD2 LEU 115 11.111% * 0.0932% (0.26 1.00 0.10 0.02) = 0.093% HA ALA 124 - QD2 LEU 115 11.111% * 0.0509% (0.73 1.00 0.02 0.02) = 0.051% HA1 GLY 101 - QD2 LEU 115 11.111% * 0.0234% (0.34 1.00 0.02 0.02) = 0.023% HA GLU- 36 - QD2 LEU 115 11.111% * 0.0121% (0.17 1.00 0.02 0.02) = 0.012% Peak 1478 (1.98, 0.59, 23.43 ppm): 8 chemical-shift based assignments, quality = 0.92, support = 6.46, residual support = 165.8: * O T HB2 LEU 115 - QD2 LEU 115 12.500% * 93.7212% (0.95 10.0 10.00 6.71 175.92) = 93.721% kept QB GLU- 114 - QD2 LEU 115 12.500% * 3.6997% (0.17 1.0 1.00 4.29 24.27) = 3.700% kept HG3 PRO 58 - QD2 LEU 115 12.500% * 2.4066% (0.95 1.0 1.00 0.52 0.20) = 2.407% kept HB2 LEU 67 - QD2 LEU 115 12.500% * 0.0681% (0.69 1.0 1.00 0.02 0.02) = 0.068% HB VAL 18 - QD2 LEU 115 12.500% * 0.0372% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG2 PRO 68 - QD2 LEU 115 12.500% * 0.0295% (0.30 1.0 1.00 0.02 0.02) = 0.030% HB ILE 19 - QD2 LEU 115 12.500% * 0.0229% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB3 ARG+ 54 - QD2 LEU 115 12.500% * 0.0148% (0.15 1.0 1.00 0.02 0.95) = 0.015% Peak 1479 (1.48, 0.59, 23.43 ppm): 9 chemical-shift based assignments, quality = 0.657, support = 6.13, residual support = 171.4: * O T HG LEU 115 - QD2 LEU 115 11.111% * 79.4774% (0.77 10.0 10.00 6.14 175.92) = 79.477% kept O T HB3 LEU 115 - QD2 LEU 115 11.111% * 17.9479% (0.17 10.0 10.00 6.90 175.92) = 17.948% kept QB ALA 120 - QD2 LEU 115 11.111% * 1.3215% (0.77 1.0 1.00 0.33 0.02) = 1.321% kept T HB3 LEU 40 - QD2 LEU 115 11.111% * 0.9630% (0.94 1.0 10.00 0.02 0.02) = 0.963% T HG LEU 40 - QD2 LEU 115 11.111% * 0.1795% (0.17 1.0 10.00 0.02 0.02) = 0.179% HB2 LYS+ 74 - QD2 LEU 115 11.111% * 0.0475% (0.46 1.0 1.00 0.02 0.02) = 0.047% HG LEU 67 - QD2 LEU 115 11.111% * 0.0271% (0.26 1.0 1.00 0.02 0.02) = 0.027% QG2 THR 26 - QD2 LEU 115 11.111% * 0.0207% (0.20 1.0 1.00 0.02 0.02) = 0.021% HG2 LYS+ 65 - QD2 LEU 115 11.111% * 0.0154% (0.15 1.0 1.00 0.02 1.91) = 0.015% Peak 1480 (0.43, 0.59, 23.43 ppm): 2 chemical-shift based assignments, quality = 0.949, support = 6.19, residual support = 172.5: * O T QD1 LEU 115 - QD2 LEU 115 50.000% * 98.0561% (0.95 10.0 10.00 6.31 175.92) = 98.056% kept QG1 VAL 75 - QD2 LEU 115 50.000% * 1.9439% (0.88 1.0 1.00 0.43 0.02) = 1.944% kept Peak 1481 (0.59, 0.59, 23.43 ppm): 1 diagonal assignment: * QD2 LEU 115 - QD2 LEU 115 (0.90) kept Peak 1482 (4.01, 4.01, 60.31 ppm): 1 diagonal assignment: * HA GLN 116 - HA GLN 116 (1.00) kept Peak 1483 (2.37, 4.01, 60.31 ppm): 5 chemical-shift based assignments, quality = 0.982, support = 4.22, residual support = 84.8: * O T HB2 GLN 116 - HA GLN 116 20.000% * 98.2428% (1.00 10.0 10.00 4.30 86.36) = 98.243% kept T HB2 GLU- 100 - HA GLN 116 20.000% * 0.9545% (0.97 1.0 10.00 0.02 0.02) = 0.955% HB3 PHE 97 - HA GLN 116 20.000% * 0.7284% (0.95 1.0 1.00 0.16 0.02) = 0.728% HB2 PRO 58 - HA GLN 116 20.000% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% QG GLU- 79 - HA GLN 116 20.000% * 0.0309% (0.31 1.0 1.00 0.02 0.02) = 0.031% Peak 1484 (2.54, 4.01, 60.31 ppm): 3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 85.2: * O T HG2 GLN 116 - HA GLN 116 33.333% * 98.6175% (1.00 10.0 10.00 4.05 86.36) = 98.617% kept HB3 PHE 95 - HA GLN 116 33.333% * 1.3669% (0.99 1.0 1.00 0.28 0.12) = 1.367% kept HG2 GLU- 25 - HA GLN 116 33.333% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1485 (4.01, 2.37, 29.51 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.28, residual support = 86.0: * O T HA GLN 116 - HB2 GLN 116 14.286% * 99.6146% (1.00 10.0 10.00 4.30 86.36) = 99.615% kept HA VAL 70 - HB2 GLN 116 14.286% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA LYS+ 33 - HB2 GLN 116 14.286% * 0.0812% (0.81 1.0 1.00 0.02 0.02) = 0.081% HA GLU- 29 - HB2 GLN 116 14.286% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA VAL 18 - HB2 GLN 116 14.286% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB2 SER 82 - HB2 GLN 116 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 SER 37 - HB2 GLN 116 14.286% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 1486 (2.37, 2.37, 29.51 ppm): 1 diagonal assignment: * HB2 GLN 116 - HB2 GLN 116 (1.00) kept Peak 1487 (2.54, 2.37, 29.51 ppm): 3 chemical-shift based assignments, quality = 1.0, support = 4.01, residual support = 84.5: * O T HG2 GLN 116 - HB2 GLN 116 33.333% * 97.8004% (1.00 10.0 10.00 4.09 86.36) = 97.800% kept HB3 PHE 95 - HB2 GLN 116 33.333% * 2.1842% (0.99 1.0 1.00 0.45 0.12) = 2.184% kept HG2 GLU- 25 - HB2 GLN 116 33.333% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1488 (4.01, 2.54, 34.75 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.04, residual support = 86.0: * O T HA GLN 116 - HG2 GLN 116 14.286% * 99.6146% (1.00 10.0 10.00 4.05 86.36) = 99.615% kept HA VAL 70 - HG2 GLN 116 14.286% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA LYS+ 33 - HG2 GLN 116 14.286% * 0.0812% (0.81 1.0 1.00 0.02 0.02) = 0.081% HA GLU- 29 - HG2 GLN 116 14.286% * 0.0628% (0.63 1.0 1.00 0.02 0.02) = 0.063% HA VAL 18 - HG2 GLN 116 14.286% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB2 SER 82 - HG2 GLN 116 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 SER 37 - HG2 GLN 116 14.286% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 1489 (2.37, 2.54, 34.75 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.97, residual support = 83.2: * O T HB2 GLN 116 - HG2 GLN 116 20.000% * 96.3260% (1.00 10.0 10.00 4.09 86.36) = 96.326% kept HB2 GLU- 100 - HG2 GLN 116 20.000% * 3.5097% (0.97 1.0 1.00 0.75 0.02) = 3.510% kept HB3 PHE 97 - HG2 GLN 116 20.000% * 0.0915% (0.95 1.0 1.00 0.02 0.02) = 0.092% HB2 PRO 58 - HG2 GLN 116 20.000% * 0.0425% (0.44 1.0 1.00 0.02 0.02) = 0.042% QG GLU- 79 - HG2 GLN 116 20.000% * 0.0303% (0.31 1.0 1.00 0.02 0.02) = 0.030% Peak 1490 (2.54, 2.54, 34.75 ppm): 1 diagonal assignment: * HG2 GLN 116 - HG2 GLN 116 (1.00) kept Peak 1491 (4.24, 4.24, 61.69 ppm): 1 diagonal assignment: * HA SER 117 - HA SER 117 (1.00) kept Peak 1492 (3.93, 4.24, 61.69 ppm): 7 chemical-shift based assignments, quality = 0.972, support = 1.27, residual support = 10.1: * O T QB SER 117 - HA SER 117 14.286% * 93.7471% (1.00 10.0 10.00 1.29 10.73) = 93.747% kept HA LYS+ 121 - HA SER 117 14.286% * 3.8223% (0.77 1.0 1.00 1.06 0.02) = 3.822% kept HA ALA 120 - HA SER 117 14.286% * 1.7405% (0.28 1.0 1.00 1.34 2.25) = 1.741% kept T QB SER 48 - HA SER 117 14.286% * 0.5007% (0.53 1.0 10.00 0.02 0.02) = 0.501% HA2 GLY 51 - HA SER 117 14.286% * 0.0801% (0.85 1.0 1.00 0.02 0.02) = 0.080% HB THR 94 - HA SER 117 14.286% * 0.0637% (0.68 1.0 1.00 0.02 0.02) = 0.064% HA PHE 60 - HA SER 117 14.286% * 0.0456% (0.49 1.0 1.00 0.02 0.02) = 0.046% Peak 1493 (4.24, 3.93, 63.04 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 1.28, residual support = 10.6: * O T HA SER 117 - QB SER 117 12.500% * 98.6168% (1.00 10.0 10.00 1.29 10.73) = 98.617% kept HA ASP- 62 - QB SER 117 12.500% * 1.0459% (0.44 1.0 1.00 0.48 0.02) = 1.046% kept T HA SER 117 - QB SER 48 12.500% * 0.2117% (0.21 1.0 10.00 0.02 0.02) = 0.212% HB THR 26 - QB SER 117 12.500% * 0.0716% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA ALA 57 - QB SER 117 12.500% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB THR 26 - QB SER 48 12.500% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA ASP- 62 - QB SER 48 12.500% * 0.0093% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA ALA 57 - QB SER 48 12.500% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 1494 (3.93, 3.93, 63.04 ppm): 2 diagonal assignments: * QB SER 117 - QB SER 117 (1.00) kept QB SER 48 - QB SER 48 (0.11) kept Peak 1497 (3.69, 3.69, 66.88 ppm): 1 diagonal assignment: * HA ILE 119 - HA ILE 119 (1.00) kept Peak 1498 (2.03, 3.69, 66.88 ppm): 12 chemical-shift based assignments, quality = 0.817, support = 6.47, residual support = 199.0: * O T HB ILE 119 - HA ILE 119 8.333% * 94.4186% (0.81 10.0 10.00 6.83 210.73) = 94.419% kept HG3 GLN 30 - HA ILE 119 8.333% * 2.9106% (1.00 1.0 1.00 0.50 0.78) = 2.911% kept HB2 GLN 30 - HA ILE 119 8.333% * 2.2308% (0.81 1.0 1.00 0.47 0.78) = 2.231% kept HB3 GLU- 100 - HA ILE 119 8.333% * 0.1033% (0.89 1.0 1.00 0.02 0.02) = 0.103% HB3 PRO 68 - HA ILE 119 8.333% * 0.0841% (0.73 1.0 1.00 0.02 0.02) = 0.084% HB VAL 108 - HA ILE 119 8.333% * 0.0619% (0.53 1.0 1.00 0.02 0.02) = 0.062% HB2 ARG+ 54 - HA ILE 119 8.333% * 0.0511% (0.44 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 111 - HA ILE 119 8.333% * 0.0411% (0.35 1.0 1.00 0.02 0.02) = 0.041% HB2 GLN 17 - HA ILE 119 8.333% * 0.0322% (0.28 1.0 1.00 0.02 0.97) = 0.032% QB GLU- 15 - HA ILE 119 8.333% * 0.0322% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB2 PRO 93 - HA ILE 119 8.333% * 0.0183% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 25 - HA ILE 119 8.333% * 0.0157% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1499 (0.96, 3.69, 66.88 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 6.5, residual support = 206.6: * O T QG2 ILE 119 - HA ILE 119 20.000% * 98.0245% (1.00 10.0 10.00 6.62 210.73) = 98.024% kept QD2 LEU 71 - HA ILE 119 20.000% * 1.4442% (0.81 1.0 1.00 0.36 0.14) = 1.444% kept HG3 LYS+ 74 - HA ILE 119 20.000% * 0.4253% (0.24 1.0 1.00 0.36 0.14) = 0.425% QD1 ILE 103 - HA ILE 119 20.000% * 0.0905% (0.92 1.0 1.00 0.02 0.02) = 0.090% QG2 ILE 103 - HA ILE 119 20.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1500 (2.26, 3.69, 66.88 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 6.63, residual support = 206.3: * O T HG12 ILE 119 - HA ILE 119 11.111% * 97.9060% (1.00 10.0 10.00 6.77 210.73) = 97.906% kept QG GLN 90 - HA ILE 119 11.111% * 1.1547% (0.77 1.0 1.00 0.31 0.02) = 1.155% kept HB2 GLU- 29 - HA ILE 119 11.111% * 0.4195% (0.73 1.0 1.00 0.12 0.02) = 0.419% QG GLU- 14 - HA ILE 119 11.111% * 0.2873% (0.58 1.0 1.00 0.10 0.02) = 0.287% HB3 PHE 72 - HA ILE 119 11.111% * 0.0665% (0.68 1.0 1.00 0.02 2.61) = 0.066% HG3 MET 92 - HA ILE 119 11.111% * 0.0570% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB2 ASP- 44 - HA ILE 119 11.111% * 0.0523% (0.53 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 15 - HA ILE 119 11.111% * 0.0388% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 105 - HA ILE 119 11.111% * 0.0180% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1501 (1.12, 3.69, 66.88 ppm): 6 chemical-shift based assignments, quality = 0.968, support = 6.0, residual support = 202.1: * O T HG13 ILE 119 - HA ILE 119 16.667% * 95.8845% (1.00 10.0 10.00 6.18 210.73) = 95.885% kept HG2 LYS+ 121 - HA ILE 119 16.667% * 2.3167% (0.18 1.0 1.00 2.63 3.51) = 2.317% kept HD3 LYS+ 112 - HA ILE 119 16.667% * 1.1523% (0.40 1.0 1.00 0.61 0.02) = 1.152% kept HB3 LEU 31 - HA ILE 119 16.667% * 0.5639% (1.00 1.0 1.00 0.12 0.02) = 0.564% QB ALA 20 - HA ILE 119 16.667% * 0.0558% (0.58 1.0 1.00 0.02 0.02) = 0.056% QG1 VAL 24 - HA ILE 119 16.667% * 0.0267% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 1502 (1.02, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.943, support = 5.86, residual support = 209.1: * T QD1 ILE 119 - HA ILE 119 25.000% * 99.2029% (0.95 10.00 5.91 210.73) = 99.203% kept HB VAL 75 - HA ILE 119 25.000% * 0.6852% (0.44 1.00 0.30 0.02) = 0.685% HB2 LEU 104 - HA ILE 119 25.000% * 0.0659% (0.63 1.00 0.02 1.51) = 0.066% QG2 VAL 108 - HA ILE 119 25.000% * 0.0460% (0.44 1.00 0.02 0.02) = 0.046% Peak 1503 (3.69, 2.03, 38.31 ppm): 5 chemical-shift based assignments, quality = 0.794, support = 5.98, residual support = 132.3: * O T HA ILE 119 - HB ILE 119 20.000% * 51.2148% (0.81 10.0 10.00 6.83 210.73) = 51.215% kept T HA THR 118 - HB ILE 119 20.000% * 48.6586% (0.77 1.0 10.00 5.11 50.05) = 48.659% kept HB2 TRP 49 - HB ILE 119 20.000% * 0.0506% (0.80 1.0 1.00 0.02 0.02) = 0.051% HA ALA 84 - HB ILE 119 20.000% * 0.0438% (0.70 1.0 1.00 0.02 0.02) = 0.044% HA2 GLY 109 - HB ILE 119 20.000% * 0.0323% (0.51 1.0 1.00 0.02 0.02) = 0.032% Peak 1504 (2.03, 2.03, 38.31 ppm): 1 diagonal assignment: * HB ILE 119 - HB ILE 119 (0.66) kept Peak 1505 (0.96, 2.03, 38.31 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 6.37, residual support = 205.2: * O T QG2 ILE 119 - HB ILE 119 20.000% * 97.3722% (0.81 10.0 10.00 6.53 210.73) = 97.372% kept QD2 LEU 71 - HB ILE 119 20.000% * 2.4988% (0.66 1.0 1.00 0.63 0.14) = 2.499% kept QD1 ILE 103 - HB ILE 119 20.000% * 0.0899% (0.75 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 74 - HB ILE 119 20.000% * 0.0237% (0.20 1.0 1.00 0.02 0.14) = 0.024% QG2 ILE 103 - HB ILE 119 20.000% * 0.0154% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 1506 (2.26, 2.03, 38.31 ppm): 9 chemical-shift based assignments, quality = 0.803, support = 6.32, residual support = 205.6: * O T HG12 ILE 119 - HB ILE 119 11.111% * 97.5779% (0.81 10.0 10.00 6.47 210.73) = 97.578% kept QG GLN 90 - HB ILE 119 11.111% * 1.2900% (0.63 1.0 1.00 0.34 0.02) = 1.290% kept QG GLU- 14 - HB ILE 119 11.111% * 0.8293% (0.47 1.0 1.00 0.29 0.02) = 0.829% HB2 GLU- 29 - HB ILE 119 11.111% * 0.0709% (0.59 1.0 1.00 0.02 0.02) = 0.071% HB3 PHE 72 - HB ILE 119 11.111% * 0.0663% (0.55 1.0 1.00 0.02 2.61) = 0.066% HG3 MET 92 - HB ILE 119 11.111% * 0.0568% (0.47 1.0 1.00 0.02 0.02) = 0.057% HB2 ASP- 44 - HB ILE 119 11.111% * 0.0521% (0.44 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 15 - HB ILE 119 11.111% * 0.0387% (0.32 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 105 - HB ILE 119 11.111% * 0.0180% (0.15 1.0 1.00 0.02 0.02) = 0.018% Peak 1507 (1.12, 2.03, 38.31 ppm): 6 chemical-shift based assignments, quality = 0.807, support = 5.78, residual support = 207.7: * O T HG13 ILE 119 - HB ILE 119 16.667% * 98.5620% (0.81 10.0 10.00 5.86 210.73) = 98.562% kept HD3 LYS+ 112 - HB ILE 119 16.667% * 1.2368% (0.32 1.0 1.00 0.63 0.02) = 1.237% kept HB3 LEU 31 - HB ILE 119 16.667% * 0.0982% (0.81 1.0 1.00 0.02 0.02) = 0.098% QB ALA 20 - HB ILE 119 16.667% * 0.0574% (0.47 1.0 1.00 0.02 0.02) = 0.057% QG1 VAL 24 - HB ILE 119 16.667% * 0.0274% (0.23 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 121 - HB ILE 119 16.667% * 0.0181% (0.15 1.0 1.00 0.02 3.51) = 0.018% Peak 1508 (1.02, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 5.87, residual support = 209.5: * O T QD1 ILE 119 - HB ILE 119 25.000% * 99.4266% (0.77 10.0 10.00 5.90 210.73) = 99.427% kept T QG2 VAL 108 - HB ILE 119 25.000% * 0.4613% (0.36 1.0 10.00 0.02 0.02) = 0.461% HB2 LEU 104 - HB ILE 119 25.000% * 0.0660% (0.51 1.0 1.00 0.02 1.51) = 0.066% HB VAL 75 - HB ILE 119 25.000% * 0.0461% (0.36 1.0 1.00 0.02 0.02) = 0.046% Peak 1509 (3.69, 0.96, 17.56 ppm): 5 chemical-shift based assignments, quality = 0.988, support = 6.39, residual support = 176.8: * O T HA ILE 119 - QG2 ILE 119 20.000% * 78.9540% (1.00 10.0 10.00 6.62 210.73) = 78.954% kept HA THR 118 - QG2 ILE 119 20.000% * 20.8507% (0.95 1.0 1.00 5.56 50.05) = 20.851% kept HB2 TRP 49 - QG2 ILE 119 20.000% * 0.0779% (0.99 1.0 1.00 0.02 0.02) = 0.078% HA ALA 84 - QG2 ILE 119 20.000% * 0.0675% (0.85 1.0 1.00 0.02 0.02) = 0.067% HA2 GLY 109 - QG2 ILE 119 20.000% * 0.0498% (0.63 1.0 1.00 0.02 0.02) = 0.050% Peak 1510 (2.03, 0.96, 17.56 ppm): 12 chemical-shift based assignments, quality = 0.81, support = 6.42, residual support = 207.1: * O T HB ILE 119 - QG2 ILE 119 8.333% * 98.2878% (0.81 10.0 10.00 6.53 210.73) = 98.288% kept HB2 GLN 30 - QG2 ILE 119 8.333% * 1.1336% (0.81 1.0 1.00 0.23 0.78) = 1.134% kept HG3 GLN 30 - QG2 ILE 119 8.333% * 0.1206% (1.00 1.0 1.00 0.02 0.78) = 0.121% HB3 GLU- 100 - QG2 ILE 119 8.333% * 0.1075% (0.89 1.0 1.00 0.02 0.02) = 0.108% HB3 PRO 68 - QG2 ILE 119 8.333% * 0.0876% (0.73 1.0 1.00 0.02 0.02) = 0.088% HB VAL 108 - QG2 ILE 119 8.333% * 0.0644% (0.53 1.0 1.00 0.02 0.02) = 0.064% HB2 ARG+ 54 - QG2 ILE 119 8.333% * 0.0532% (0.44 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 111 - QG2 ILE 119 8.333% * 0.0428% (0.35 1.0 1.00 0.02 0.02) = 0.043% HB2 GLN 17 - QG2 ILE 119 8.333% * 0.0335% (0.28 1.0 1.00 0.02 0.97) = 0.034% QB GLU- 15 - QG2 ILE 119 8.333% * 0.0335% (0.28 1.0 1.00 0.02 0.02) = 0.034% HB2 PRO 93 - QG2 ILE 119 8.333% * 0.0191% (0.16 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 25 - QG2 ILE 119 8.333% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1511 (0.96, 0.96, 17.56 ppm): 1 diagonal assignment: * QG2 ILE 119 - QG2 ILE 119 (1.00) kept Peak 1512 (2.26, 0.96, 17.56 ppm): 9 chemical-shift based assignments, quality = 0.993, support = 5.92, residual support = 206.8: * O T HG12 ILE 119 - QG2 ILE 119 11.111% * 98.1263% (1.00 10.0 10.00 6.03 210.73) = 98.126% kept QG GLN 90 - QG2 ILE 119 11.111% * 1.5122% (0.77 1.0 1.00 0.40 0.02) = 1.512% kept HB2 GLU- 29 - QG2 ILE 119 11.111% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 PHE 72 - QG2 ILE 119 11.111% * 0.0666% (0.68 1.0 1.00 0.02 2.61) = 0.067% HG3 MET 92 - QG2 ILE 119 11.111% * 0.0571% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG GLU- 14 - QG2 ILE 119 11.111% * 0.0571% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB2 ASP- 44 - QG2 ILE 119 11.111% * 0.0524% (0.53 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 15 - QG2 ILE 119 11.111% * 0.0389% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 105 - QG2 ILE 119 11.111% * 0.0181% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1513 (1.12, 0.96, 17.56 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.68, residual support = 210.2: * O T HG13 ILE 119 - QG2 ILE 119 16.667% * 99.7568% (1.00 10.0 10.00 5.69 210.73) = 99.757% kept HB3 LEU 31 - QG2 ILE 119 16.667% * 0.0994% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB ALA 20 - QG2 ILE 119 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HD3 LYS+ 112 - QG2 ILE 119 16.667% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 24 - QG2 ILE 119 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 LYS+ 121 - QG2 ILE 119 16.667% * 0.0184% (0.18 1.0 1.00 0.02 3.51) = 0.018% Peak 1514 (1.02, 0.96, 17.56 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 5.32, residual support = 210.4: * T QD1 ILE 119 - QG2 ILE 119 25.000% * 99.8411% (0.95 10.00 5.33 210.73) = 99.841% kept HB2 LEU 104 - QG2 ILE 119 25.000% * 0.0663% (0.63 1.00 0.02 1.51) = 0.066% HB VAL 75 - QG2 ILE 119 25.000% * 0.0463% (0.44 1.00 0.02 0.02) = 0.046% QG2 VAL 108 - QG2 ILE 119 25.000% * 0.0463% (0.44 1.00 0.02 0.02) = 0.046% Peak 1515 (3.69, 2.26, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.973, support = 6.32, residual support = 132.0: * O T HA ILE 119 - HG12 ILE 119 20.000% * 51.1200% (1.00 10.0 10.00 6.77 210.73) = 51.120% kept T HA THR 118 - HG12 ILE 119 20.000% * 48.5685% (0.95 1.0 10.00 5.89 50.05) = 48.569% kept HA ALA 84 - HG12 ILE 119 20.000% * 0.2287% (0.85 1.0 1.00 0.10 0.02) = 0.229% HB2 TRP 49 - HG12 ILE 119 20.000% * 0.0505% (0.99 1.0 1.00 0.02 0.02) = 0.050% HA2 GLY 109 - HG12 ILE 119 20.000% * 0.0322% (0.63 1.0 1.00 0.02 0.02) = 0.032% Peak 1516 (2.03, 2.26, 30.83 ppm): 12 chemical-shift based assignments, quality = 0.815, support = 6.25, residual support = 203.1: * O T HB ILE 119 - HG12 ILE 119 8.333% * 96.3612% (0.81 10.0 10.00 6.47 210.73) = 96.361% kept HG3 GLN 30 - HG12 ILE 119 8.333% * 2.1501% (1.00 1.0 1.00 0.36 0.78) = 2.150% kept HB2 GLN 30 - HG12 ILE 119 8.333% * 1.0397% (0.81 1.0 1.00 0.22 0.78) = 1.040% kept HB3 GLU- 100 - HG12 ILE 119 8.333% * 0.1054% (0.89 1.0 1.00 0.02 0.02) = 0.105% HB3 PRO 68 - HG12 ILE 119 8.333% * 0.0859% (0.73 1.0 1.00 0.02 0.02) = 0.086% HB VAL 108 - HG12 ILE 119 8.333% * 0.0632% (0.53 1.0 1.00 0.02 0.02) = 0.063% HB2 ARG+ 54 - HG12 ILE 119 8.333% * 0.0521% (0.44 1.0 1.00 0.02 0.02) = 0.052% HB2 LYS+ 111 - HG12 ILE 119 8.333% * 0.0419% (0.35 1.0 1.00 0.02 0.02) = 0.042% HB2 GLN 17 - HG12 ILE 119 8.333% * 0.0329% (0.28 1.0 1.00 0.02 0.97) = 0.033% QB GLU- 15 - HG12 ILE 119 8.333% * 0.0329% (0.28 1.0 1.00 0.02 0.02) = 0.033% HB2 PRO 93 - HG12 ILE 119 8.333% * 0.0187% (0.16 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 25 - HG12 ILE 119 8.333% * 0.0160% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1517 (0.96, 2.26, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 5.9, residual support = 206.1: * O T QG2 ILE 119 - HG12 ILE 119 20.000% * 97.8149% (1.00 10.0 10.00 6.03 210.73) = 97.815% kept QD2 LEU 71 - HG12 ILE 119 20.000% * 1.5649% (0.81 1.0 1.00 0.39 0.14) = 1.565% kept QD1 ILE 103 - HG12 ILE 119 20.000% * 0.5809% (0.92 1.0 1.00 0.13 0.02) = 0.581% HG3 LYS+ 74 - HG12 ILE 119 20.000% * 0.0239% (0.24 1.0 1.00 0.02 0.14) = 0.024% QG2 ILE 103 - HG12 ILE 119 20.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1518 (2.26, 2.26, 30.83 ppm): 1 diagonal assignment: * HG12 ILE 119 - HG12 ILE 119 (1.00) kept Peak 1519 (1.12, 2.26, 30.83 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 5.84, residual support = 206.7: * O T HG13 ILE 119 - HG12 ILE 119 16.667% * 98.0841% (1.00 10.0 10.00 5.94 210.73) = 98.084% kept HD3 LYS+ 112 - HG12 ILE 119 16.667% * 1.3960% (0.40 1.0 1.00 0.72 0.02) = 1.396% kept HB3 LEU 31 - HG12 ILE 119 16.667% * 0.4175% (1.00 1.0 1.00 0.09 0.02) = 0.418% QB ALA 20 - HG12 ILE 119 16.667% * 0.0571% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG1 VAL 24 - HG12 ILE 119 16.667% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 121 - HG12 ILE 119 16.667% * 0.0180% (0.18 1.0 1.00 0.02 3.51) = 0.018% Peak 1520 (1.02, 2.26, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 5.58, residual support = 207.2: * O T QD1 ILE 119 - HG12 ILE 119 25.000% * 98.3217% (0.95 10.0 10.00 5.67 210.73) = 98.322% kept HB2 LEU 104 - HG12 ILE 119 25.000% * 1.5871% (0.63 1.0 1.00 0.49 1.51) = 1.587% kept HB VAL 75 - HG12 ILE 119 25.000% * 0.0456% (0.44 1.0 1.00 0.02 0.02) = 0.046% QG2 VAL 108 - HG12 ILE 119 25.000% * 0.0456% (0.44 1.0 1.00 0.02 0.02) = 0.046% Peak 1521 (3.69, 1.12, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.981, support = 6.1, residual support = 173.4: * O T HA ILE 119 - HG13 ILE 119 20.000% * 77.0201% (1.00 10.0 10.00 6.18 210.73) = 77.020% kept HA THR 118 - HG13 ILE 119 20.000% * 22.1567% (0.95 1.0 1.00 6.06 50.05) = 22.157% kept HA ALA 84 - HG13 ILE 119 20.000% * 0.3243% (0.85 1.0 1.00 0.10 0.02) = 0.324% HB2 TRP 49 - HG13 ILE 119 20.000% * 0.2947% (0.99 1.0 1.00 0.08 0.02) = 0.295% HA2 GLY 109 - HG13 ILE 119 20.000% * 0.2042% (0.63 1.0 1.00 0.08 0.02) = 0.204% Peak 1522 (2.03, 1.12, 30.83 ppm): 12 chemical-shift based assignments, quality = 0.813, support = 5.54, residual support = 198.6: * O T HB ILE 119 - HG13 ILE 119 8.333% * 94.2437% (0.81 10.0 10.00 5.86 210.73) = 94.244% kept HG3 GLN 30 - HG13 ILE 119 8.333% * 2.7337% (1.00 1.0 1.00 0.47 0.78) = 2.734% kept HB VAL 108 - HG13 ILE 119 8.333% * 1.4721% (0.53 1.0 1.00 0.48 0.02) = 1.472% kept HB2 GLN 30 - HG13 ILE 119 8.333% * 1.1732% (0.81 1.0 1.00 0.25 0.78) = 1.173% kept HB3 GLU- 100 - HG13 ILE 119 8.333% * 0.1031% (0.89 1.0 1.00 0.02 0.02) = 0.103% HB3 PRO 68 - HG13 ILE 119 8.333% * 0.0840% (0.73 1.0 1.00 0.02 0.02) = 0.084% HB2 ARG+ 54 - HG13 ILE 119 8.333% * 0.0510% (0.44 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 111 - HG13 ILE 119 8.333% * 0.0410% (0.35 1.0 1.00 0.02 0.02) = 0.041% HB2 GLN 17 - HG13 ILE 119 8.333% * 0.0322% (0.28 1.0 1.00 0.02 0.97) = 0.032% QB GLU- 15 - HG13 ILE 119 8.333% * 0.0322% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB2 PRO 93 - HG13 ILE 119 8.333% * 0.0183% (0.16 1.0 1.00 0.02 0.02) = 0.018% HB3 GLU- 25 - HG13 ILE 119 8.333% * 0.0157% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1523 (0.96, 1.12, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.988, support = 5.5, residual support = 202.6: * O T QG2 ILE 119 - HG13 ILE 119 20.000% * 96.1404% (1.00 10.0 10.00 5.69 210.73) = 96.140% kept QD2 LEU 71 - HG13 ILE 119 20.000% * 3.2847% (0.81 1.0 1.00 0.84 0.14) = 3.285% kept QD1 ILE 103 - HG13 ILE 119 20.000% * 0.5362% (0.92 1.0 1.00 0.12 0.02) = 0.536% HG3 LYS+ 74 - HG13 ILE 119 20.000% * 0.0234% (0.24 1.0 1.00 0.02 0.14) = 0.023% QG2 ILE 103 - HG13 ILE 119 20.000% * 0.0152% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1524 (2.26, 1.12, 30.83 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 5.79, residual support = 204.9: * O T HG12 ILE 119 - HG13 ILE 119 11.111% * 97.2149% (1.00 10.0 10.00 5.94 210.73) = 97.215% kept QG GLN 90 - HG13 ILE 119 11.111% * 2.1056% (0.77 1.0 1.00 0.56 0.02) = 2.106% kept HB2 GLU- 29 - HG13 ILE 119 11.111% * 0.3919% (0.73 1.0 1.00 0.11 0.02) = 0.392% HB3 PHE 72 - HG13 ILE 119 11.111% * 0.0660% (0.68 1.0 1.00 0.02 2.61) = 0.066% HG3 MET 92 - HG13 ILE 119 11.111% * 0.0566% (0.58 1.0 1.00 0.02 0.02) = 0.057% QG GLU- 14 - HG13 ILE 119 11.111% * 0.0566% (0.58 1.0 1.00 0.02 0.02) = 0.057% HB2 ASP- 44 - HG13 ILE 119 11.111% * 0.0519% (0.53 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 15 - HG13 ILE 119 11.111% * 0.0386% (0.40 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 105 - HG13 ILE 119 11.111% * 0.0179% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1525 (1.12, 1.12, 30.83 ppm): 1 diagonal assignment: * HG13 ILE 119 - HG13 ILE 119 (1.00) kept Peak 1526 (1.02, 1.12, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 5.25, residual support = 207.4: * O T QD1 ILE 119 - HG13 ILE 119 25.000% * 98.4169% (0.95 10.0 10.00 5.32 210.73) = 98.417% kept HB2 LEU 104 - HG13 ILE 119 25.000% * 1.4918% (0.63 1.0 1.00 0.46 1.51) = 1.492% kept HB VAL 75 - HG13 ILE 119 25.000% * 0.0457% (0.44 1.0 1.00 0.02 0.02) = 0.046% QG2 VAL 108 - HG13 ILE 119 25.000% * 0.0457% (0.44 1.0 1.00 0.02 0.02) = 0.046% Peak 1527 (3.69, 1.02, 16.06 ppm): 5 chemical-shift based assignments, quality = 0.935, support = 5.73, residual support = 178.0: * T HA ILE 119 - QD1 ILE 119 20.000% * 79.7918% (0.95 10.00 5.91 210.73) = 79.792% kept HA THR 118 - QD1 ILE 119 20.000% * 19.5977% (0.90 1.00 5.17 50.05) = 19.598% kept HA ALA 84 - QD1 ILE 119 20.000% * 0.4814% (0.81 1.00 0.14 0.02) = 0.481% HB2 TRP 49 - QD1 ILE 119 20.000% * 0.0788% (0.94 1.00 0.02 0.02) = 0.079% HA2 GLY 109 - QD1 ILE 119 20.000% * 0.0503% (0.60 1.00 0.02 0.02) = 0.050% Peak 1528 (2.03, 1.02, 16.06 ppm): 12 chemical-shift based assignments, quality = 0.762, support = 5.81, residual support = 207.5: * O T HB ILE 119 - QD1 ILE 119 8.333% * 98.4629% (0.77 10.0 10.00 5.90 210.73) = 98.463% kept T HB VAL 108 - QD1 ILE 119 8.333% * 0.6454% (0.51 1.0 10.00 0.02 0.02) = 0.645% HB2 GLN 30 - QD1 ILE 119 8.333% * 0.3766% (0.77 1.0 1.00 0.08 0.78) = 0.377% HG3 GLN 30 - QD1 ILE 119 8.333% * 0.1208% (0.95 1.0 1.00 0.02 0.78) = 0.121% HB3 GLU- 100 - QD1 ILE 119 8.333% * 0.1077% (0.85 1.0 1.00 0.02 0.02) = 0.108% HB3 PRO 68 - QD1 ILE 119 8.333% * 0.0877% (0.69 1.0 1.00 0.02 0.02) = 0.088% HB2 ARG+ 54 - QD1 ILE 119 8.333% * 0.0533% (0.42 1.0 1.00 0.02 0.02) = 0.053% HB2 LYS+ 111 - QD1 ILE 119 8.333% * 0.0428% (0.34 1.0 1.00 0.02 0.02) = 0.043% HB2 GLN 17 - QD1 ILE 119 8.333% * 0.0336% (0.26 1.0 1.00 0.02 0.97) = 0.034% QB GLU- 15 - QD1 ILE 119 8.333% * 0.0336% (0.26 1.0 1.00 0.02 0.02) = 0.034% HB2 PRO 93 - QD1 ILE 119 8.333% * 0.0191% (0.15 1.0 1.00 0.02 0.02) = 0.019% HB3 GLU- 25 - QD1 ILE 119 8.333% * 0.0164% (0.13 1.0 1.00 0.02 0.02) = 0.016% Peak 1529 (0.96, 1.02, 16.06 ppm): 5 chemical-shift based assignments, quality = 0.93, support = 5.09, residual support = 200.1: * T QG2 ILE 119 - QD1 ILE 119 20.000% * 94.9430% (0.95 10.00 5.33 210.73) = 94.943% kept QD2 LEU 71 - QD1 ILE 119 20.000% * 3.6395% (0.77 1.00 0.94 0.14) = 3.640% kept QG2 ILE 103 - QD1 ILE 119 20.000% * 0.7899% (0.15 1.00 1.05 0.02) = 0.790% QD1 ILE 103 - QD1 ILE 119 20.000% * 0.6044% (0.88 1.00 0.14 0.02) = 0.604% HG3 LYS+ 74 - QD1 ILE 119 20.000% * 0.0232% (0.23 1.00 0.02 0.14) = 0.023% Peak 1530 (2.26, 1.02, 16.06 ppm): 9 chemical-shift based assignments, quality = 0.935, support = 5.43, residual support = 200.6: * O T HG12 ILE 119 - QD1 ILE 119 11.111% * 95.1655% (0.95 10.0 10.00 5.67 210.73) = 95.165% kept HB3 PHE 72 - QD1 ILE 119 11.111% * 3.0857% (0.65 1.0 1.00 0.96 2.61) = 3.086% kept QG GLN 90 - QD1 ILE 119 11.111% * 1.4628% (0.73 1.0 1.00 0.40 0.02) = 1.463% kept HB2 GLU- 29 - QD1 ILE 119 11.111% * 0.0691% (0.69 1.0 1.00 0.02 0.02) = 0.069% HG3 MET 92 - QD1 ILE 119 11.111% * 0.0554% (0.55 1.0 1.00 0.02 0.02) = 0.055% QG GLU- 14 - QD1 ILE 119 11.111% * 0.0554% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB2 ASP- 44 - QD1 ILE 119 11.111% * 0.0508% (0.51 1.0 1.00 0.02 0.02) = 0.051% QG GLU- 15 - QD1 ILE 119 11.111% * 0.0377% (0.38 1.0 1.00 0.02 0.02) = 0.038% HB2 ASP- 105 - QD1 ILE 119 11.111% * 0.0175% (0.17 1.0 1.00 0.02 0.02) = 0.018% Peak 1531 (1.12, 1.02, 16.06 ppm): 6 chemical-shift based assignments, quality = 0.939, support = 5.26, residual support = 208.2: * O T HG13 ILE 119 - QD1 ILE 119 16.667% * 98.8107% (0.95 10.0 10.00 5.32 210.73) = 98.811% kept HD3 LYS+ 112 - QD1 ILE 119 16.667% * 0.9876% (0.38 1.0 1.00 0.50 0.02) = 0.988% HB3 LEU 31 - QD1 ILE 119 16.667% * 0.0985% (0.95 1.0 1.00 0.02 0.02) = 0.098% QB ALA 20 - QD1 ILE 119 16.667% * 0.0575% (0.55 1.0 1.00 0.02 0.02) = 0.058% QG1 VAL 24 - QD1 ILE 119 16.667% * 0.0275% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 121 - QD1 ILE 119 16.667% * 0.0182% (0.17 1.0 1.00 0.02 3.51) = 0.018% Peak 1532 (1.02, 1.02, 16.06 ppm): 1 diagonal assignment: * QD1 ILE 119 - QD1 ILE 119 (0.90) kept Peak 1533 (3.95, 3.95, 55.35 ppm): 1 diagonal assignment: * HA ALA 120 - HA ALA 120 (1.00) kept Peak 1534 (1.48, 3.95, 55.35 ppm): 8 chemical-shift based assignments, quality = 0.92, support = 2.0, residual support = 8.64: * O T QB ALA 120 - HA ALA 120 12.500% * 99.6371% (0.92 10.0 10.00 2.01 8.67) = 99.637% kept HB3 LEU 40 - HA ALA 120 12.500% * 0.1076% (1.00 1.0 1.00 0.02 0.02) = 0.108% HG LEU 115 - HA ALA 120 12.500% * 0.0996% (0.92 1.0 1.00 0.02 0.02) = 0.100% HG LEU 67 - HA ALA 120 12.500% * 0.0428% (0.40 1.0 1.00 0.02 0.02) = 0.043% HB2 LYS+ 74 - HA ALA 120 12.500% * 0.0383% (0.35 1.0 1.00 0.02 0.02) = 0.038% HG LEU 40 - HA ALA 120 12.500% * 0.0300% (0.28 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 115 - HA ALA 120 12.500% * 0.0300% (0.28 1.0 1.00 0.02 0.02) = 0.030% QG2 THR 26 - HA ALA 120 12.500% * 0.0146% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 1535 (3.95, 1.48, 18.41 ppm): 9 chemical-shift based assignments, quality = 0.874, support = 2.13, residual support = 8.09: * O T HA ALA 120 - QB ALA 120 11.111% * 86.5129% (0.92 10.0 10.00 2.01 8.67) = 86.513% kept HA LYS+ 121 - QB ALA 120 11.111% * 10.5544% (0.63 1.0 1.00 3.59 5.33) = 10.554% kept QB SER 117 - QB ALA 120 11.111% * 1.2302% (0.26 1.0 1.00 1.02 2.25) = 1.230% kept HA LYS+ 65 - QB ALA 120 11.111% * 1.0310% (0.63 1.0 1.00 0.35 0.02) = 1.031% kept HA2 GLY 16 - QB ALA 120 11.111% * 0.4104% (0.71 1.0 1.00 0.12 0.02) = 0.410% QB SER 48 - QB ALA 120 11.111% * 0.0771% (0.82 1.0 1.00 0.02 0.02) = 0.077% QB SER 85 - QB ALA 120 11.111% * 0.0668% (0.71 1.0 1.00 0.02 0.02) = 0.067% HB THR 94 - QB ALA 120 11.111% * 0.0668% (0.71 1.0 1.00 0.02 0.02) = 0.067% HA2 GLY 51 - QB ALA 120 11.111% * 0.0504% (0.54 1.0 1.00 0.02 0.02) = 0.050% Peak 1536 (1.48, 1.48, 18.41 ppm): 1 diagonal assignment: * QB ALA 120 - QB ALA 120 (0.85) kept Peak 1537 (3.94, 3.94, 58.66 ppm): 2 diagonal assignments: * HA LYS+ 121 - HA LYS+ 121 (1.00) kept HA LYS+ 65 - HA LYS+ 65 (0.01) kept Peak 1538 (1.66, 3.94, 58.66 ppm): 20 chemical-shift based assignments, quality = 0.849, support = 7.04, residual support = 227.3: * O T HB2 LYS+ 121 - HA LYS+ 121 5.000% * 82.6742% (1.00 10.0 10.00 8.12 270.40) = 82.674% kept T HB2 LEU 123 - HA LYS+ 121 5.000% * 11.5267% (0.18 1.0 10.00 1.52 1.71) = 11.527% kept T QD LYS+ 65 - HA LYS+ 65 5.000% * 3.2223% (0.04 1.0 10.00 4.74 109.67) = 3.222% kept T QD LYS+ 65 - HA LYS+ 121 5.000% * 0.8241% (1.00 1.0 10.00 0.02 0.02) = 0.824% T QD LYS+ 38 - HA LYS+ 121 5.000% * 0.7068% (0.85 1.0 10.00 0.02 0.02) = 0.707% T HB2 LEU 123 - HA LYS+ 65 5.000% * 0.3499% (0.01 1.0 10.00 1.18 0.62) = 0.350% T QD LYS+ 102 - HA LYS+ 121 5.000% * 0.3279% (0.40 1.0 10.00 0.02 0.02) = 0.328% T HD3 LYS+ 111 - HA LYS+ 121 5.000% * 0.1309% (0.16 1.0 10.00 0.02 0.28) = 0.131% HB VAL 83 - HA LYS+ 121 5.000% * 0.0803% (0.97 1.0 1.00 0.02 0.02) = 0.080% HD2 LYS+ 74 - HA LYS+ 121 5.000% * 0.0402% (0.49 1.0 1.00 0.02 0.15) = 0.040% T HB2 LYS+ 121 - HA LYS+ 65 5.000% * 0.0323% (0.04 1.0 10.00 0.02 0.02) = 0.032% T QD LYS+ 38 - HA LYS+ 65 5.000% * 0.0276% (0.03 1.0 10.00 0.02 0.02) = 0.028% HG3 PRO 93 - HA LYS+ 121 5.000% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB ALA 57 - HA LYS+ 121 5.000% * 0.0152% (0.18 1.0 1.00 0.02 0.02) = 0.015% T QD LYS+ 102 - HA LYS+ 65 5.000% * 0.0128% (0.02 1.0 10.00 0.02 0.02) = 0.013% T HD3 LYS+ 111 - HA LYS+ 65 5.000% * 0.0051% (0.01 1.0 10.00 0.02 0.02) = 0.005% HB VAL 83 - HA LYS+ 65 5.000% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HD2 LYS+ 74 - HA LYS+ 65 5.000% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 93 - HA LYS+ 65 5.000% * 0.0007% (0.01 1.0 1.00 0.02 1.10) = 0.001% QB ALA 57 - HA LYS+ 65 5.000% * 0.0006% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1539 (1.15, 3.94, 58.66 ppm): 12 chemical-shift based assignments, quality = 0.997, support = 6.89, residual support = 269.6: * O T HG2 LYS+ 121 - HA LYS+ 121 8.333% * 99.7212% (1.00 10.0 10.00 6.91 270.40) = 99.721% kept QG2 VAL 107 - HA LYS+ 121 8.333% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB ALA 20 - HA LYS+ 121 8.333% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% T HG2 LYS+ 121 - HA LYS+ 65 8.333% * 0.0390% (0.04 1.0 10.00 0.02 0.02) = 0.039% HG13 ILE 103 - HA LYS+ 121 8.333% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG13 ILE 119 - HA LYS+ 121 8.333% * 0.0183% (0.18 1.0 1.00 0.02 3.51) = 0.018% HB3 LEU 31 - HA LYS+ 121 8.333% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% QG2 VAL 107 - HA LYS+ 65 8.333% * 0.0035% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB ALA 20 - HA LYS+ 65 8.333% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG13 ILE 103 - HA LYS+ 65 8.333% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG13 ILE 119 - HA LYS+ 65 8.333% * 0.0007% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 LEU 31 - HA LYS+ 65 8.333% * 0.0006% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1540 (0.80, 3.94, 58.66 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 6.2, residual support = 267.4: * O T HG3 LYS+ 121 - HA LYS+ 121 12.500% * 98.8837% (1.00 10.0 10.00 6.27 270.40) = 98.884% kept QD1 ILE 56 - HA LYS+ 121 12.500% * 0.8210% (0.49 1.0 1.00 0.34 0.02) = 0.821% T QD2 LEU 73 - HA LYS+ 121 12.500% * 0.2101% (0.21 1.0 10.00 0.02 0.02) = 0.210% T HG3 LYS+ 121 - HA LYS+ 65 12.500% * 0.0387% (0.04 1.0 10.00 0.02 0.02) = 0.039% QD2 LEU 123 - HA LYS+ 121 12.500% * 0.0351% (0.35 1.0 1.00 0.02 1.71) = 0.035% T QD2 LEU 73 - HA LYS+ 65 12.500% * 0.0082% (0.01 1.0 10.00 0.02 0.02) = 0.008% QD1 ILE 56 - HA LYS+ 65 12.500% * 0.0019% (0.02 1.0 1.00 0.02 4.85) = 0.002% QD2 LEU 123 - HA LYS+ 65 12.500% * 0.0014% (0.01 1.0 1.00 0.02 0.62) = 0.001% Peak 1541 (1.50, 3.94, 58.66 ppm): 14 chemical-shift based assignments, quality = 0.808, support = 7.19, residual support = 253.5: * T HD2 LYS+ 121 - HA LYS+ 121 7.143% * 77.9543% (1.00 1.0 10.00 7.46 270.40) = 77.954% kept O T HB3 LYS+ 121 - HA LYS+ 121 7.143% * 14.3439% (0.18 10.0 10.00 7.87 270.40) = 14.344% kept O T HG2 LYS+ 65 - HA LYS+ 65 7.143% * 3.0093% (0.04 10.0 10.00 4.67 109.67) = 3.009% kept T QD LYS+ 66 - HA LYS+ 65 7.143% * 2.2134% (0.03 1.0 10.00 4.66 29.03) = 2.213% kept T HG2 LYS+ 65 - HA LYS+ 121 7.143% * 0.7696% (0.99 1.0 10.00 0.02 0.02) = 0.770% QG2 THR 26 - HA LYS+ 121 7.143% * 0.7202% (0.95 1.0 1.00 0.19 0.02) = 0.720% T QD LYS+ 66 - HA LYS+ 121 7.143% * 0.5661% (0.73 1.0 10.00 0.02 0.02) = 0.566% HG LEU 104 - HA LYS+ 121 7.143% * 0.3286% (0.18 1.0 1.00 0.46 0.02) = 0.329% HB2 LYS+ 74 - HA LYS+ 121 7.143% * 0.0529% (0.68 1.0 1.00 0.02 0.15) = 0.053% T HD2 LYS+ 121 - HA LYS+ 65 7.143% * 0.0305% (0.04 1.0 10.00 0.02 0.02) = 0.030% T HB3 LYS+ 121 - HA LYS+ 65 7.143% * 0.0056% (0.01 1.0 10.00 0.02 0.02) = 0.006% QG2 THR 26 - HA LYS+ 65 7.143% * 0.0029% (0.04 1.0 1.00 0.02 0.35) = 0.003% HB2 LYS+ 74 - HA LYS+ 65 7.143% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% HG LEU 104 - HA LYS+ 65 7.143% * 0.0006% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1542 (2.75, 3.94, 58.66 ppm): 8 chemical-shift based assignments, quality = 0.876, support = 5.85, residual support = 158.6: * QE LYS+ 121 - HA LYS+ 121 12.500% * 51.8038% (1.00 6.04 270.40) = 51.804% kept HB3 HIS 122 - HA LYS+ 121 12.500% * 41.8195% (0.77 6.32 43.70) = 41.820% kept HG2 GLN 30 - HA LYS+ 121 12.500% * 6.0963% (0.58 1.22 3.83) = 6.096% kept HB3 ASN 28 - HA LYS+ 121 12.500% * 0.2625% (0.31 0.10 0.02) = 0.262% QE LYS+ 121 - HA LYS+ 65 12.500% * 0.0067% (0.04 0.02 0.02) = 0.007% HB3 HIS 122 - HA LYS+ 65 12.500% * 0.0052% (0.03 0.02 0.02) = 0.005% HG2 GLN 30 - HA LYS+ 65 12.500% * 0.0039% (0.02 0.02 0.02) = 0.004% HB3 ASN 28 - HA LYS+ 65 12.500% * 0.0021% (0.01 0.02 0.02) = 0.002% Peak 1543 (3.94, 1.66, 32.89 ppm): 10 chemical-shift based assignments, quality = 0.952, support = 7.6, residual support = 234.2: * O T HA LYS+ 121 - HB2 LYS+ 121 10.000% * 86.3607% (1.00 10.0 10.00 8.12 270.40) = 86.361% kept HA ALA 120 - HB2 LYS+ 121 10.000% * 13.0772% (0.68 1.0 1.00 4.46 5.33) = 13.077% kept T HA LYS+ 65 - HB2 LYS+ 121 10.000% * 0.1835% (0.21 1.0 10.00 0.02 0.02) = 0.184% HB THR 94 - HB2 LYS+ 121 10.000% * 0.0853% (0.99 1.0 1.00 0.02 0.02) = 0.085% HA2 GLY 51 - HB2 LYS+ 121 10.000% * 0.0853% (0.99 1.0 1.00 0.02 0.02) = 0.085% QB SER 48 - HB2 LYS+ 121 10.000% * 0.0797% (0.92 1.0 1.00 0.02 0.02) = 0.080% QB SER 117 - HB2 LYS+ 121 10.000% * 0.0666% (0.77 1.0 1.00 0.02 0.02) = 0.067% QB SER 85 - HB2 LYS+ 121 10.000% * 0.0240% (0.28 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 16 - HB2 LYS+ 121 10.000% * 0.0240% (0.28 1.0 1.00 0.02 0.02) = 0.024% HA PHE 60 - HB2 LYS+ 121 10.000% * 0.0137% (0.16 1.0 1.00 0.02 0.76) = 0.014% Peak 1544 (1.66, 1.66, 32.89 ppm): 1 diagonal assignment: * HB2 LYS+ 121 - HB2 LYS+ 121 (1.00) kept Peak 1545 (1.15, 1.66, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 7.52, residual support = 269.8: * O T HG2 LYS+ 121 - HB2 LYS+ 121 16.667% * 99.7691% (1.00 10.0 10.00 7.53 270.40) = 99.769% kept QG2 VAL 107 - HB2 LYS+ 121 16.667% * 0.0889% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB ALA 20 - HB2 LYS+ 121 16.667% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG13 ILE 103 - HB2 LYS+ 121 16.667% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG13 ILE 119 - HB2 LYS+ 121 16.667% * 0.0184% (0.18 1.0 1.00 0.02 3.51) = 0.018% HB3 LEU 31 - HB2 LYS+ 121 16.667% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1546 (0.80, 1.66, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.904, support = 6.07, residual support = 230.9: * O T HG3 LYS+ 121 - HB2 LYS+ 121 25.000% * 85.2847% (1.00 10.0 10.00 6.95 270.40) = 85.285% kept T QD2 LEU 123 - HB2 LYS+ 121 25.000% * 14.4926% (0.35 1.0 10.00 0.96 1.71) = 14.493% kept T QD2 LEU 73 - HB2 LYS+ 121 25.000% * 0.1812% (0.21 1.0 10.00 0.02 0.02) = 0.181% QD1 ILE 56 - HB2 LYS+ 121 25.000% * 0.0415% (0.49 1.0 1.00 0.02 0.02) = 0.042% Peak 1547 (1.50, 1.66, 32.89 ppm): 7 chemical-shift based assignments, quality = 0.847, support = 7.54, residual support = 262.2: * O T HD2 LYS+ 121 - HB2 LYS+ 121 14.286% * 81.8936% (1.00 10.0 10.00 7.69 270.40) = 81.894% kept O T HB3 LYS+ 121 - HB2 LYS+ 121 14.286% * 15.0687% (0.18 10.0 10.00 8.24 270.40) = 15.069% kept T HG2 LYS+ 65 - HB2 LYS+ 121 14.286% * 0.8085% (0.99 1.0 10.00 0.02 0.02) = 0.809% QG2 THR 26 - HB2 LYS+ 121 14.286% * 0.7833% (0.95 1.0 1.00 0.20 0.02) = 0.783% T QD LYS+ 66 - HB2 LYS+ 121 14.286% * 0.5947% (0.73 1.0 10.00 0.02 0.02) = 0.595% T HB2 LYS+ 74 - HB2 LYS+ 121 14.286% * 0.5560% (0.68 1.0 10.00 0.02 0.15) = 0.556% HG LEU 104 - HB2 LYS+ 121 14.286% * 0.2952% (0.18 1.0 1.00 0.39 0.02) = 0.295% Peak 1548 (2.75, 1.66, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 6.33, residual support = 161.4: * QE LYS+ 121 - HB2 LYS+ 121 25.000% * 53.1330% (1.00 6.76 270.40) = 53.133% kept HB3 HIS 122 - HB2 LYS+ 121 25.000% * 39.9901% (0.77 6.60 43.70) = 39.990% kept HG2 GLN 30 - HB2 LYS+ 121 25.000% * 6.6363% (0.58 1.45 3.83) = 6.636% kept HB3 ASN 28 - HB2 LYS+ 121 25.000% * 0.2406% (0.31 0.10 0.02) = 0.241% Peak 1549 (3.94, 1.15, 24.39 ppm): 10 chemical-shift based assignments, quality = 0.955, support = 6.45, residual support = 231.9: * O T HA LYS+ 121 - HG2 LYS+ 121 10.000% * 85.5073% (1.00 10.0 10.00 6.91 270.40) = 85.507% kept HA ALA 120 - HG2 LYS+ 121 10.000% * 12.4790% (0.68 1.0 1.00 4.30 5.33) = 12.479% kept HB THR 94 - HG2 LYS+ 121 10.000% * 1.5416% (0.99 1.0 1.00 0.37 0.02) = 1.542% kept T HA LYS+ 65 - HG2 LYS+ 121 10.000% * 0.1817% (0.21 1.0 10.00 0.02 0.02) = 0.182% HA2 GLY 51 - HG2 LYS+ 121 10.000% * 0.0844% (0.99 1.0 1.00 0.02 0.02) = 0.084% QB SER 48 - HG2 LYS+ 121 10.000% * 0.0789% (0.92 1.0 1.00 0.02 0.02) = 0.079% QB SER 117 - HG2 LYS+ 121 10.000% * 0.0660% (0.77 1.0 1.00 0.02 0.02) = 0.066% HA2 GLY 16 - HG2 LYS+ 121 10.000% * 0.0238% (0.28 1.0 1.00 0.02 0.02) = 0.024% QB SER 85 - HG2 LYS+ 121 10.000% * 0.0238% (0.28 1.0 1.00 0.02 0.02) = 0.024% HA PHE 60 - HG2 LYS+ 121 10.000% * 0.0135% (0.16 1.0 1.00 0.02 0.76) = 0.014% Peak 1550 (1.66, 1.15, 24.39 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 7.5, residual support = 269.2: * O T HB2 LYS+ 121 - HG2 LYS+ 121 10.000% * 99.5574% (1.00 10.0 10.00 7.53 270.40) = 99.557% kept QD LYS+ 65 - HG2 LYS+ 121 10.000% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB VAL 83 - HG2 LYS+ 121 10.000% * 0.0967% (0.97 1.0 1.00 0.02 0.02) = 0.097% QD LYS+ 38 - HG2 LYS+ 121 10.000% * 0.0851% (0.85 1.0 1.00 0.02 0.02) = 0.085% HD2 LYS+ 74 - HG2 LYS+ 121 10.000% * 0.0485% (0.49 1.0 1.00 0.02 0.15) = 0.048% QD LYS+ 102 - HG2 LYS+ 121 10.000% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 93 - HG2 LYS+ 121 10.000% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB2 LEU 123 - HG2 LYS+ 121 10.000% * 0.0183% (0.18 1.0 1.00 0.02 1.71) = 0.018% QB ALA 57 - HG2 LYS+ 121 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 111 - HG2 LYS+ 121 10.000% * 0.0158% (0.16 1.0 1.00 0.02 0.28) = 0.016% Peak 1551 (1.15, 1.15, 24.39 ppm): 1 diagonal assignment: * HG2 LYS+ 121 - HG2 LYS+ 121 (1.00) kept Peak 1552 (0.80, 1.15, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 269.6: * O T HG3 LYS+ 121 - HG2 LYS+ 121 25.000% * 99.7042% (1.00 10.0 10.00 6.31 270.40) = 99.704% kept T QD2 LEU 73 - HG2 LYS+ 121 25.000% * 0.2119% (0.21 1.0 10.00 0.02 0.02) = 0.212% QD1 ILE 56 - HG2 LYS+ 121 25.000% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% QD2 LEU 123 - HG2 LYS+ 121 25.000% * 0.0354% (0.35 1.0 1.00 0.02 1.71) = 0.035% Peak 1553 (1.50, 1.15, 24.39 ppm): 7 chemical-shift based assignments, quality = 0.867, support = 7.04, residual support = 265.4: * O T HD2 LYS+ 121 - HG2 LYS+ 121 14.286% * 82.9084% (1.00 10.0 10.00 7.13 270.40) = 82.908% kept O T HB3 LYS+ 121 - HG2 LYS+ 121 14.286% * 15.2554% (0.18 10.0 10.00 7.36 270.40) = 15.255% kept QG2 THR 26 - HG2 LYS+ 121 14.286% * 1.0807% (0.95 1.0 1.00 0.27 0.02) = 1.081% kept T QD LYS+ 66 - HG2 LYS+ 121 14.286% * 0.6020% (0.73 1.0 10.00 0.02 0.02) = 0.602% HG2 LYS+ 65 - HG2 LYS+ 121 14.286% * 0.0819% (0.99 1.0 1.00 0.02 0.02) = 0.082% HB2 LYS+ 74 - HG2 LYS+ 121 14.286% * 0.0563% (0.68 1.0 1.00 0.02 0.15) = 0.056% HG LEU 104 - HG2 LYS+ 121 14.286% * 0.0153% (0.18 1.0 1.00 0.02 0.02) = 0.015% Peak 1554 (2.75, 1.15, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 5.75, residual support = 222.4: * O QE LYS+ 121 - HG2 LYS+ 121 25.000% * 79.3524% (1.00 10.0 5.92 270.40) = 79.352% kept HB3 HIS 122 - HG2 LYS+ 121 25.000% * 17.6452% (0.77 1.0 5.76 43.70) = 17.645% kept HG2 GLN 30 - HG2 LYS+ 121 25.000% * 2.9774% (0.58 1.0 1.29 3.83) = 2.977% kept HB3 ASN 28 - HG2 LYS+ 121 25.000% * 0.0250% (0.31 1.0 0.02 0.02) = 0.025% Peak 1555 (3.94, 0.80, 24.39 ppm): 20 chemical-shift based assignments, quality = 0.956, support = 5.93, residual support = 239.1: * O T HA LYS+ 121 - HG3 LYS+ 121 5.000% * 88.2048% (1.00 10.0 10.00 6.27 270.40) = 88.205% kept HA ALA 120 - HG3 LYS+ 121 5.000% * 10.8990% (0.68 1.0 1.00 3.64 5.33) = 10.899% kept T HA LYS+ 65 - HG3 LYS+ 121 5.000% * 0.1874% (0.21 1.0 10.00 0.02 0.02) = 0.187% T HA LYS+ 121 - QD2 LEU 73 5.000% * 0.1874% (0.21 1.0 10.00 0.02 0.02) = 0.187% HB THR 94 - HG3 LYS+ 121 5.000% * 0.0871% (0.99 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - HG3 LYS+ 121 5.000% * 0.0871% (0.99 1.0 1.00 0.02 0.02) = 0.087% QB SER 48 - HG3 LYS+ 121 5.000% * 0.0814% (0.92 1.0 1.00 0.02 0.02) = 0.081% QB SER 117 - HG3 LYS+ 121 5.000% * 0.0681% (0.77 1.0 1.00 0.02 0.02) = 0.068% T HA LYS+ 65 - QD2 LEU 73 5.000% * 0.0398% (0.05 1.0 10.00 0.02 0.02) = 0.040% QB SER 85 - HG3 LYS+ 121 5.000% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.025% HA2 GLY 16 - HG3 LYS+ 121 5.000% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB THR 94 - QD2 LEU 73 5.000% * 0.0185% (0.21 1.0 1.00 0.02 0.02) = 0.018% HA2 GLY 51 - QD2 LEU 73 5.000% * 0.0185% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB SER 48 - QD2 LEU 73 5.000% * 0.0173% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB SER 117 - QD2 LEU 73 5.000% * 0.0145% (0.16 1.0 1.00 0.02 0.02) = 0.014% HA PHE 60 - HG3 LYS+ 121 5.000% * 0.0140% (0.16 1.0 1.00 0.02 0.76) = 0.014% HA ALA 120 - QD2 LEU 73 5.000% * 0.0127% (0.14 1.0 1.00 0.02 0.02) = 0.013% QB SER 85 - QD2 LEU 73 5.000% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA2 GLY 16 - QD2 LEU 73 5.000% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA PHE 60 - QD2 LEU 73 5.000% * 0.0030% (0.03 1.0 1.00 0.02 0.93) = 0.003% Peak 1556 (1.66, 0.80, 24.39 ppm): 20 chemical-shift based assignments, quality = 0.971, support = 6.83, residual support = 262.3: * O T HB2 LYS+ 121 - HG3 LYS+ 121 5.000% * 96.8674% (1.00 10.0 10.00 6.95 270.40) = 96.867% kept HD2 LYS+ 74 - QD2 LEU 73 5.000% * 2.2543% (0.10 1.0 1.00 4.50 18.59) = 2.254% kept T HB2 LYS+ 121 - QD2 LEU 73 5.000% * 0.2058% (0.21 1.0 10.00 0.02 0.02) = 0.206% T HB2 LEU 123 - HG3 LYS+ 121 5.000% * 0.1782% (0.18 1.0 10.00 0.02 1.71) = 0.178% QD LYS+ 65 - HG3 LYS+ 121 5.000% * 0.0966% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB VAL 83 - HG3 LYS+ 121 5.000% * 0.0941% (0.97 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 38 - HG3 LYS+ 121 5.000% * 0.0828% (0.85 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 74 - HG3 LYS+ 121 5.000% * 0.0472% (0.49 1.0 1.00 0.02 0.15) = 0.047% QD LYS+ 102 - HG3 LYS+ 121 5.000% * 0.0384% (0.40 1.0 1.00 0.02 0.02) = 0.038% HG3 PRO 93 - HG3 LYS+ 121 5.000% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% QD LYS+ 65 - QD2 LEU 73 5.000% * 0.0205% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB VAL 83 - QD2 LEU 73 5.000% * 0.0200% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB ALA 57 - HG3 LYS+ 121 5.000% * 0.0178% (0.18 1.0 1.00 0.02 0.02) = 0.018% QD LYS+ 38 - QD2 LEU 73 5.000% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 111 - HG3 LYS+ 121 5.000% * 0.0153% (0.16 1.0 1.00 0.02 0.28) = 0.015% QD LYS+ 102 - QD2 LEU 73 5.000% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG3 PRO 93 - QD2 LEU 73 5.000% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 123 - QD2 LEU 73 5.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 57 - QD2 LEU 73 5.000% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 LYS+ 111 - QD2 LEU 73 5.000% * 0.0033% (0.03 1.0 1.00 0.02 0.13) = 0.003% Peak 1557 (1.15, 0.80, 24.39 ppm): 12 chemical-shift based assignments, quality = 0.993, support = 6.27, residual support = 268.6: * O T HG2 LYS+ 121 - HG3 LYS+ 121 8.333% * 99.3386% (1.00 10.0 10.00 6.31 270.40) = 99.339% kept T HG2 LYS+ 121 - QD2 LEU 73 8.333% * 0.2110% (0.21 1.0 10.00 0.02 0.02) = 0.211% T HB3 LEU 31 - HG3 LYS+ 121 8.333% * 0.1573% (0.16 1.0 10.00 0.02 0.02) = 0.157% QG2 VAL 107 - HG3 LYS+ 121 8.333% * 0.0885% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB ALA 20 - HG3 LYS+ 121 8.333% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG13 ILE 103 - HG3 LYS+ 121 8.333% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% T HB3 LEU 31 - QD2 LEU 73 8.333% * 0.0334% (0.03 1.0 10.00 0.02 0.74) = 0.033% QG2 VAL 107 - QD2 LEU 73 8.333% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% HG13 ILE 119 - HG3 LYS+ 121 8.333% * 0.0183% (0.18 1.0 1.00 0.02 3.51) = 0.018% QB ALA 20 - QD2 LEU 73 8.333% * 0.0153% (0.15 1.0 1.00 0.02 0.02) = 0.015% HG13 ILE 103 - QD2 LEU 73 8.333% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% HG13 ILE 119 - QD2 LEU 73 8.333% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1558 (0.80, 0.80, 24.39 ppm): 2 diagonal assignments: * HG3 LYS+ 121 - HG3 LYS+ 121 (1.00) kept QD2 LEU 73 - QD2 LEU 73 (0.05) kept Peak 1559 (1.50, 0.80, 24.39 ppm): 14 chemical-shift based assignments, quality = 0.84, support = 6.29, residual support = 253.0: * O T HD2 LYS+ 121 - HG3 LYS+ 121 7.143% * 78.8557% (1.00 10.0 10.00 6.53 270.40) = 78.856% kept O T HB3 LYS+ 121 - HG3 LYS+ 121 7.143% * 14.5097% (0.18 10.0 10.00 6.69 270.40) = 14.510% kept HB2 LYS+ 74 - QD2 LEU 73 7.143% * 3.0197% (0.14 1.0 1.00 5.31 18.59) = 3.020% kept HB2 LYS+ 74 - HG3 LYS+ 121 7.143% * 1.5665% (0.68 1.0 1.00 0.59 0.15) = 1.566% kept QG2 THR 26 - HG3 LYS+ 121 7.143% * 1.0279% (0.95 1.0 1.00 0.27 0.02) = 1.028% kept T QD LYS+ 66 - HG3 LYS+ 121 7.143% * 0.5726% (0.73 1.0 10.00 0.02 0.02) = 0.573% T HD2 LYS+ 121 - QD2 LEU 73 7.143% * 0.1675% (0.21 1.0 10.00 0.02 0.02) = 0.168% T QD LYS+ 66 - QD2 LEU 73 7.143% * 0.1216% (0.15 1.0 10.00 0.02 0.02) = 0.122% HG2 LYS+ 65 - HG3 LYS+ 121 7.143% * 0.0779% (0.99 1.0 1.00 0.02 0.02) = 0.078% T HB3 LYS+ 121 - QD2 LEU 73 7.143% * 0.0308% (0.04 1.0 10.00 0.02 0.02) = 0.031% HG2 LYS+ 65 - QD2 LEU 73 7.143% * 0.0165% (0.21 1.0 1.00 0.02 0.02) = 0.017% QG2 THR 26 - QD2 LEU 73 7.143% * 0.0159% (0.20 1.0 1.00 0.02 0.02) = 0.016% HG LEU 104 - HG3 LYS+ 121 7.143% * 0.0145% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG LEU 104 - QD2 LEU 73 7.143% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1560 (2.75, 0.80, 24.39 ppm): 8 chemical-shift based assignments, quality = 0.924, support = 5.45, residual support = 209.4: * O QE LYS+ 121 - HG3 LYS+ 121 12.500% * 74.7895% (1.00 10.0 5.61 270.40) = 74.790% kept HB3 HIS 122 - HG3 LYS+ 121 12.500% * 15.6953% (0.77 1.0 5.44 43.70) = 15.695% kept HG2 GLN 30 - HG3 LYS+ 121 12.500% * 9.3582% (0.58 1.0 4.30 3.83) = 9.358% kept HB3 ASN 28 - HG3 LYS+ 121 12.500% * 0.1145% (0.31 1.0 0.10 0.02) = 0.115% QE LYS+ 121 - QD2 LEU 73 12.500% * 0.0159% (0.21 1.0 0.02 0.02) = 0.016% HB3 HIS 122 - QD2 LEU 73 12.500% * 0.0123% (0.16 1.0 0.02 0.02) = 0.012% HG2 GLN 30 - QD2 LEU 73 12.500% * 0.0093% (0.12 1.0 0.02 0.60) = 0.009% HB3 ASN 28 - QD2 LEU 73 12.500% * 0.0050% (0.07 1.0 0.02 0.13) = 0.005% Peak 1561 (3.94, 1.50, 29.95 ppm): 20 chemical-shift based assignments, quality = 0.936, support = 6.94, residual support = 233.1: * T HA LYS+ 121 - HD2 LYS+ 121 5.000% * 85.7761% (1.00 10.00 7.46 270.40) = 85.776% kept HA ALA 120 - HD2 LYS+ 121 5.000% * 11.4645% (0.68 1.00 3.94 5.33) = 11.464% kept T HA LYS+ 65 - QD LYS+ 66 5.000% * 2.0554% (0.02 10.00 4.66 29.03) = 2.055% kept T HA LYS+ 65 - HD2 LYS+ 121 5.000% * 0.1823% (0.21 10.00 0.02 0.02) = 0.182% T HA LYS+ 121 - QD LYS+ 66 5.000% * 0.0967% (0.11 10.00 0.02 0.02) = 0.097% HB THR 94 - HD2 LYS+ 121 5.000% * 0.0847% (0.99 1.00 0.02 0.02) = 0.085% HA2 GLY 51 - HD2 LYS+ 121 5.000% * 0.0847% (0.99 1.00 0.02 0.02) = 0.085% QB SER 48 - HD2 LYS+ 121 5.000% * 0.0792% (0.92 1.00 0.02 0.02) = 0.079% QB SER 117 - HD2 LYS+ 121 5.000% * 0.0662% (0.77 1.00 0.02 0.02) = 0.066% QB SER 85 - HD2 LYS+ 121 5.000% * 0.0238% (0.28 1.00 0.02 0.02) = 0.024% HA2 GLY 16 - HD2 LYS+ 121 5.000% * 0.0238% (0.28 1.00 0.02 0.02) = 0.024% HA PHE 60 - HD2 LYS+ 121 5.000% * 0.0136% (0.16 1.00 0.02 0.76) = 0.014% HB THR 94 - QD LYS+ 66 5.000% * 0.0095% (0.11 1.00 0.02 0.02) = 0.010% HA2 GLY 51 - QD LYS+ 66 5.000% * 0.0095% (0.11 1.00 0.02 0.02) = 0.010% QB SER 48 - QD LYS+ 66 5.000% * 0.0089% (0.10 1.00 0.02 0.02) = 0.009% QB SER 117 - QD LYS+ 66 5.000% * 0.0075% (0.09 1.00 0.02 0.02) = 0.007% HA ALA 120 - QD LYS+ 66 5.000% * 0.0066% (0.08 1.00 0.02 0.02) = 0.007% HA2 GLY 16 - QD LYS+ 66 5.000% * 0.0027% (0.03 1.00 0.02 0.02) = 0.003% QB SER 85 - QD LYS+ 66 5.000% * 0.0027% (0.03 1.00 0.02 0.02) = 0.003% HA PHE 60 - QD LYS+ 66 5.000% * 0.0015% (0.02 1.00 0.02 0.72) = 0.002% Peak 1562 (1.66, 1.50, 29.95 ppm): 20 chemical-shift based assignments, quality = 0.884, support = 7.07, residual support = 238.8: * O T HB2 LYS+ 121 - HD2 LYS+ 121 5.000% * 87.2724% (1.00 10.0 10.00 7.69 270.40) = 87.272% kept T QD LYS+ 65 - QD LYS+ 66 5.000% * 9.8098% (0.11 1.0 10.00 3.63 29.03) = 9.810% kept T QD LYS+ 65 - HD2 LYS+ 121 5.000% * 0.8699% (1.00 1.0 10.00 0.02 0.02) = 0.870% T QD LYS+ 38 - HD2 LYS+ 121 5.000% * 0.7461% (0.85 1.0 10.00 0.02 0.02) = 0.746% T HD2 LYS+ 74 - HD2 LYS+ 121 5.000% * 0.4248% (0.49 1.0 10.00 0.02 0.15) = 0.425% T QD LYS+ 102 - HD2 LYS+ 121 5.000% * 0.3461% (0.40 1.0 10.00 0.02 0.02) = 0.346% T HD3 LYS+ 111 - HD2 LYS+ 121 5.000% * 0.1382% (0.16 1.0 10.00 0.02 0.28) = 0.138% T HB2 LYS+ 121 - QD LYS+ 66 5.000% * 0.0984% (0.11 1.0 10.00 0.02 0.02) = 0.098% HB VAL 83 - HD2 LYS+ 121 5.000% * 0.0848% (0.97 1.0 1.00 0.02 0.02) = 0.085% T QD LYS+ 38 - QD LYS+ 66 5.000% * 0.0841% (0.10 1.0 10.00 0.02 0.02) = 0.084% T QD LYS+ 102 - QD LYS+ 66 5.000% * 0.0390% (0.04 1.0 10.00 0.02 0.02) = 0.039% HG3 PRO 93 - HD2 LYS+ 121 5.000% * 0.0185% (0.21 1.0 1.00 0.02 0.02) = 0.019% HB2 LEU 123 - HD2 LYS+ 121 5.000% * 0.0161% (0.18 1.0 1.00 0.02 1.71) = 0.016% QB ALA 57 - HD2 LYS+ 121 5.000% * 0.0161% (0.18 1.0 1.00 0.02 0.02) = 0.016% T HD3 LYS+ 111 - QD LYS+ 66 5.000% * 0.0156% (0.02 1.0 10.00 0.02 0.02) = 0.016% HB VAL 83 - QD LYS+ 66 5.000% * 0.0096% (0.11 1.0 1.00 0.02 0.02) = 0.010% HD2 LYS+ 74 - QD LYS+ 66 5.000% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 PRO 93 - QD LYS+ 66 5.000% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB2 LEU 123 - QD LYS+ 66 5.000% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 57 - QD LYS+ 66 5.000% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1563 (1.15, 1.50, 29.95 ppm): 12 chemical-shift based assignments, quality = 0.996, support = 7.11, residual support = 269.4: * O T HG2 LYS+ 121 - HD2 LYS+ 121 8.333% * 99.6311% (1.00 10.0 10.00 7.13 270.40) = 99.631% kept T HG2 LYS+ 121 - QD LYS+ 66 8.333% * 0.1123% (0.11 1.0 10.00 0.02 0.02) = 0.112% QG2 VAL 107 - HD2 LYS+ 121 8.333% * 0.0888% (0.89 1.0 1.00 0.02 0.02) = 0.089% QB ALA 20 - HD2 LYS+ 121 8.333% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG13 ILE 103 - HD2 LYS+ 121 8.333% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG13 ILE 119 - HD2 LYS+ 121 8.333% * 0.0183% (0.18 1.0 1.00 0.02 3.51) = 0.018% HB3 LEU 31 - HD2 LYS+ 121 8.333% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% QG2 VAL 107 - QD LYS+ 66 8.333% * 0.0100% (0.10 1.0 1.00 0.02 0.02) = 0.010% QB ALA 20 - QD LYS+ 66 8.333% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG13 ILE 103 - QD LYS+ 66 8.333% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG13 ILE 119 - QD LYS+ 66 8.333% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 LEU 31 - QD LYS+ 66 8.333% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1564 (0.80, 1.50, 29.95 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 6.5, residual support = 269.2: * O T HG3 LYS+ 121 - HD2 LYS+ 121 12.500% * 99.5591% (1.00 10.0 10.00 6.53 270.40) = 99.559% kept T QD2 LEU 73 - HD2 LYS+ 121 12.500% * 0.2116% (0.21 1.0 10.00 0.02 0.02) = 0.212% T HG3 LYS+ 121 - QD LYS+ 66 12.500% * 0.1123% (0.11 1.0 10.00 0.02 0.02) = 0.112% QD1 ILE 56 - HD2 LYS+ 121 12.500% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% QD2 LEU 123 - HD2 LYS+ 121 12.500% * 0.0353% (0.35 1.0 1.00 0.02 1.71) = 0.035% T QD2 LEU 73 - QD LYS+ 66 12.500% * 0.0239% (0.02 1.0 10.00 0.02 0.02) = 0.024% QD1 ILE 56 - QD LYS+ 66 12.500% * 0.0055% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 123 - QD LYS+ 66 12.500% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1565 (1.50, 1.50, 29.95 ppm): 2 diagonal assignments: * HD2 LYS+ 121 - HD2 LYS+ 121 (1.00) kept QD LYS+ 66 - QD LYS+ 66 (0.08) kept Peak 1566 (2.75, 1.50, 29.95 ppm): 8 chemical-shift based assignments, quality = 0.866, support = 4.67, residual support = 174.1: * O QE LYS+ 121 - HD2 LYS+ 121 12.500% * 61.8696% (1.00 10.0 1.00 5.79 270.40) = 61.870% kept T HG2 GLN 30 - HD2 LYS+ 121 12.500% * 24.6590% (0.58 1.0 10.00 1.37 3.83) = 24.659% kept HB3 HIS 122 - HD2 LYS+ 121 12.500% * 13.3968% (0.77 1.0 1.00 5.61 43.70) = 13.397% kept T HG2 GLN 30 - QD LYS+ 66 12.500% * 0.0406% (0.07 1.0 10.00 0.02 0.02) = 0.041% HB3 ASN 28 - HD2 LYS+ 121 12.500% * 0.0195% (0.31 1.0 1.00 0.02 0.02) = 0.019% QE LYS+ 121 - QD LYS+ 66 12.500% * 0.0070% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB3 HIS 122 - QD LYS+ 66 12.500% * 0.0054% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB3 ASN 28 - QD LYS+ 66 12.500% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 1567 (4.88, 4.88, 56.57 ppm): 1 diagonal assignment: * HA HIS 122 - HA HIS 122 (1.00) kept Peak 1568 (3.45, 4.88, 56.57 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 2.75, residual support = 60.7: * O T HB2 HIS 122 - HA HIS 122 33.333% * 99.8293% (1.00 10.0 10.00 2.75 60.83) = 99.829% kept HA LYS+ 112 - HA HIS 122 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB THR 46 - HA HIS 122 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.88) = 0.085% Peak 1569 (2.76, 4.88, 56.57 ppm): 4 chemical-shift based assignments, quality = 0.973, support = 3.83, residual support = 58.8: * O T HB3 HIS 122 - HA HIS 122 25.000% * 88.2217% (1.00 10.0 10.00 3.88 60.83) = 88.222% kept QE LYS+ 121 - HA HIS 122 25.000% * 11.7350% (0.77 1.0 1.00 3.45 43.70) = 11.735% kept HB3 ASP- 78 - HA HIS 122 25.000% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.025% HG2 GLN 30 - HA HIS 122 25.000% * 0.0187% (0.21 1.0 1.00 0.02 0.12) = 0.019% Peak 1570 (4.88, 3.45, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.75, residual support = 60.8: * O T HA HIS 122 - HB2 HIS 122 33.333% * 99.9139% (1.00 10.0 10.00 2.75 60.83) = 99.914% kept HA VAL 41 - HB2 HIS 122 33.333% * 0.0726% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA PHE 45 - HB2 HIS 122 33.333% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1571 (3.45, 3.45, 31.73 ppm): 1 diagonal assignment: * HB2 HIS 122 - HB2 HIS 122 (1.00) kept Peak 1572 (2.76, 3.45, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.971, support = 3.8, residual support = 58.7: * O T HB3 HIS 122 - HB2 HIS 122 25.000% * 87.5717% (1.00 10.0 10.00 3.82 60.83) = 87.572% kept QE LYS+ 121 - HB2 HIS 122 25.000% * 12.3854% (0.77 1.0 1.00 3.67 43.70) = 12.385% kept HB3 ASP- 78 - HB2 HIS 122 25.000% * 0.0243% (0.28 1.0 1.00 0.02 0.02) = 0.024% HG2 GLN 30 - HB2 HIS 122 25.000% * 0.0186% (0.21 1.0 1.00 0.02 0.12) = 0.019% Peak 1573 (4.88, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.88, residual support = 60.8: * O T HA HIS 122 - HB3 HIS 122 33.333% * 99.9139% (1.00 10.0 10.00 3.88 60.83) = 99.914% kept HA VAL 41 - HB3 HIS 122 33.333% * 0.0726% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA PHE 45 - HB3 HIS 122 33.333% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 1574 (3.45, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.81, residual support = 60.7: * O T HB2 HIS 122 - HB3 HIS 122 33.333% * 99.8293% (1.00 10.0 10.00 3.82 60.83) = 99.829% kept HA LYS+ 112 - HB3 HIS 122 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB THR 46 - HB3 HIS 122 33.333% * 0.0853% (0.85 1.0 1.00 0.02 0.88) = 0.085% Peak 1575 (2.76, 2.76, 31.73 ppm): 1 diagonal assignment: * HB3 HIS 122 - HB3 HIS 122 (1.00) kept Peak 1576 (4.38, 4.38, 55.67 ppm): 1 diagonal assignment: * HA LEU 123 - HA LEU 123 (1.00) kept Peak 1577 (1.68, 4.38, 55.67 ppm): 12 chemical-shift based assignments, quality = 0.989, support = 6.2, residual support = 180.5: * O T HB2 LEU 123 - HA LEU 123 8.333% * 98.9072% (1.00 10.0 10.00 6.27 182.54) = 98.907% kept T QD LYS+ 106 - HA LEU 123 8.333% * 0.3116% (0.31 1.0 10.00 0.02 0.02) = 0.312% T QD LYS+ 99 - HA LEU 123 8.333% * 0.2750% (0.28 1.0 10.00 0.02 0.02) = 0.275% HG3 PRO 93 - HA LEU 123 8.333% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - HA LEU 123 8.333% * 0.0881% (0.89 1.0 1.00 0.02 0.02) = 0.088% HD2 LYS+ 111 - HA LEU 123 8.333% * 0.0846% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB3 MET 92 - HA LEU 123 8.333% * 0.0718% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 LEU 73 - HA LEU 123 8.333% * 0.0528% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD LYS+ 38 - HA LEU 123 8.333% * 0.0436% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB VAL 83 - HA LEU 123 8.333% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% QD LYS+ 65 - HA LEU 123 8.333% * 0.0210% (0.21 1.0 1.00 0.02 0.62) = 0.021% HB2 LYS+ 121 - HA LEU 123 8.333% * 0.0182% (0.18 1.0 1.00 0.02 1.71) = 0.018% Peak 1578 (1.63, 4.38, 55.67 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 5.27, residual support = 178.3: * O T HB3 LEU 123 - HA LEU 123 20.000% * 97.6689% (1.00 10.0 10.00 5.39 182.54) = 97.669% kept QB ALA 57 - HA LEU 123 20.000% * 2.1068% (0.81 1.0 1.00 0.53 0.02) = 2.107% kept QD LYS+ 33 - HA LEU 123 20.000% * 0.0977% (1.00 1.0 1.00 0.02 0.02) = 0.098% HD3 LYS+ 111 - HA LEU 123 20.000% * 0.0835% (0.85 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 74 - HA LEU 123 20.000% * 0.0431% (0.44 1.0 1.00 0.02 0.11) = 0.043% Peak 1579 (1.85, 4.38, 55.67 ppm): 12 chemical-shift based assignments, quality = 0.563, support = 5.2, residual support = 175.8: * O T HG LEU 123 - HA LEU 123 8.333% * 96.3144% (0.58 10.0 10.00 5.39 182.54) = 96.314% kept HB VAL 41 - HA LEU 123 8.333% * 1.2542% (0.16 1.0 1.00 0.96 0.52) = 1.254% kept HB ILE 103 - HA LEU 123 8.333% * 0.6927% (0.85 1.0 1.00 0.10 0.02) = 0.693% HG3 PRO 68 - HA LEU 123 8.333% * 0.6485% (0.89 1.0 1.00 0.09 0.02) = 0.648% HB3 ASP- 105 - HA LEU 123 8.333% * 0.4819% (0.77 1.0 1.00 0.08 0.02) = 0.482% HG2 ARG+ 54 - HA LEU 123 8.333% * 0.1348% (0.81 1.0 1.00 0.02 0.25) = 0.135% QB LYS+ 33 - HA LEU 123 8.333% * 0.1043% (0.63 1.0 1.00 0.02 0.02) = 0.104% HB3 PRO 52 - HA LEU 123 8.333% * 0.0963% (0.58 1.0 1.00 0.02 0.02) = 0.096% HB3 GLN 90 - HA LEU 123 8.333% * 0.0883% (0.53 1.0 1.00 0.02 0.02) = 0.088% QB LYS+ 81 - HA LEU 123 8.333% * 0.0729% (0.44 1.0 1.00 0.02 0.02) = 0.073% QB LYS+ 106 - HA LEU 123 8.333% * 0.0656% (0.40 1.0 1.00 0.02 0.02) = 0.066% HG12 ILE 103 - HA LEU 123 8.333% * 0.0460% (0.28 1.0 1.00 0.02 0.02) = 0.046% Peak 1580 (0.86, 4.38, 55.67 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 5.67, residual support = 177.6: * T QD1 LEU 123 - HA LEU 123 16.667% * 97.2842% (1.00 10.00 5.82 182.54) = 97.284% kept QG1 VAL 70 - HA LEU 123 16.667% * 1.4753% (0.89 1.00 0.34 0.02) = 1.475% kept HB3 LEU 104 - HA LEU 123 16.667% * 0.7279% (0.77 1.00 0.19 0.02) = 0.728% QD1 LEU 71 - HA LEU 123 16.667% * 0.4169% (1.00 1.00 0.09 0.02) = 0.417% QG1 VAL 18 - HA LEU 123 16.667% * 0.0751% (0.77 1.00 0.02 0.02) = 0.075% HB3 LEU 63 - HA LEU 123 16.667% * 0.0207% (0.21 1.00 0.02 0.02) = 0.021% Peak 1581 (0.82, 4.38, 55.67 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 182.5: * T QD2 LEU 123 - HA LEU 123 50.000% * 99.9646% (1.00 10.00 4.93 182.54) = 99.965% kept HG3 LYS+ 121 - HA LEU 123 50.000% * 0.0354% (0.35 1.00 0.02 1.71) = 0.035% Peak 1582 (4.38, 1.68, 43.16 ppm): 9 chemical-shift based assignments, quality = 0.989, support = 6.11, residual support = 177.7: * O T HA LEU 123 - HB2 LEU 123 11.111% * 97.3593% (1.00 10.0 10.00 6.27 182.54) = 97.359% kept HA ASN 35 - HB2 LEU 123 11.111% * 1.6105% (0.95 1.0 1.00 0.35 0.02) = 1.611% kept T HA LYS+ 99 - HB2 LEU 123 11.111% * 0.7933% (0.81 1.0 10.00 0.02 0.02) = 0.793% HA ILE 56 - HB2 LEU 123 11.111% * 0.0946% (0.97 1.0 1.00 0.02 0.02) = 0.095% HA LEU 40 - HB2 LEU 123 11.111% * 0.0386% (0.40 1.0 1.00 0.02 0.52) = 0.039% HA ASP- 113 - HB2 LEU 123 11.111% * 0.0386% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA PRO 58 - HB2 LEU 123 11.111% * 0.0237% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA SER 13 - HB2 LEU 123 11.111% * 0.0207% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 15 - HB2 LEU 123 11.111% * 0.0207% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1583 (1.68, 1.68, 43.16 ppm): 1 diagonal assignment: * HB2 LEU 123 - HB2 LEU 123 (1.00) kept Peak 1585 (1.85, 1.68, 43.16 ppm): 12 chemical-shift based assignments, quality = 0.563, support = 5.38, residual support = 176.6: * O T HG LEU 123 - HB2 LEU 123 8.333% * 96.7196% (0.58 10.0 10.00 5.57 182.54) = 96.720% kept HB ILE 103 - HB2 LEU 123 8.333% * 0.9823% (0.85 1.0 1.00 0.14 0.02) = 0.982% HB3 ASP- 105 - HB2 LEU 123 8.333% * 0.6834% (0.77 1.0 1.00 0.11 0.02) = 0.683% T QB LYS+ 106 - HB2 LEU 123 8.333% * 0.6588% (0.40 1.0 10.00 0.02 0.02) = 0.659% T HB VAL 41 - HB2 LEU 123 8.333% * 0.2630% (0.16 1.0 10.00 0.02 0.52) = 0.263% HG3 PRO 68 - HB2 LEU 123 8.333% * 0.1480% (0.89 1.0 1.00 0.02 0.02) = 0.148% HG2 ARG+ 54 - HB2 LEU 123 8.333% * 0.1353% (0.81 1.0 1.00 0.02 0.25) = 0.135% QB LYS+ 33 - HB2 LEU 123 8.333% * 0.1048% (0.63 1.0 1.00 0.02 0.02) = 0.105% HB3 PRO 52 - HB2 LEU 123 8.333% * 0.0967% (0.58 1.0 1.00 0.02 0.02) = 0.097% HB3 GLN 90 - HB2 LEU 123 8.333% * 0.0887% (0.53 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 81 - HB2 LEU 123 8.333% * 0.0732% (0.44 1.0 1.00 0.02 0.02) = 0.073% HG12 ILE 103 - HB2 LEU 123 8.333% * 0.0462% (0.28 1.0 1.00 0.02 0.02) = 0.046% Peak 1586 (0.86, 1.68, 43.16 ppm): 6 chemical-shift based assignments, quality = 0.987, support = 5.77, residual support = 178.7: * O T QD1 LEU 123 - HB2 LEU 123 16.667% * 97.8814% (1.00 10.0 10.00 5.89 182.54) = 97.881% kept HB3 LEU 104 - HB2 LEU 123 16.667% * 1.0071% (0.77 1.0 1.00 0.27 0.02) = 1.007% kept QD1 LEU 71 - HB2 LEU 123 16.667% * 0.5534% (1.00 1.0 1.00 0.11 0.02) = 0.553% QG1 VAL 70 - HB2 LEU 123 16.667% * 0.4617% (0.89 1.0 1.00 0.11 0.02) = 0.462% QG1 VAL 18 - HB2 LEU 123 16.667% * 0.0755% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 LEU 63 - HB2 LEU 123 16.667% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1587 (0.82, 1.68, 43.16 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 5.07, residual support = 181.9: * O T QD2 LEU 123 - HB2 LEU 123 50.000% * 99.6467% (1.00 10.0 10.00 5.09 182.54) = 99.647% kept T HG3 LYS+ 121 - HB2 LEU 123 50.000% * 0.3533% (0.35 1.0 10.00 0.02 1.71) = 0.353% Peak 1594 (4.38, 1.85, 26.16 ppm): 9 chemical-shift based assignments, quality = 0.576, support = 5.26, residual support = 177.9: * O T HA LEU 123 - HG LEU 123 11.111% * 97.4715% (0.58 10.0 10.00 5.39 182.54) = 97.471% kept HA ASN 35 - HG LEU 123 11.111% * 1.6154% (0.55 1.0 1.00 0.35 0.02) = 1.615% kept HA LYS+ 99 - HG LEU 123 11.111% * 0.6759% (0.47 1.0 1.00 0.17 0.02) = 0.676% HA ILE 56 - HG LEU 123 11.111% * 0.0947% (0.57 1.0 1.00 0.02 0.02) = 0.095% HA LEU 40 - HG LEU 123 11.111% * 0.0387% (0.23 1.0 1.00 0.02 0.52) = 0.039% HA ASP- 113 - HG LEU 123 11.111% * 0.0387% (0.23 1.0 1.00 0.02 0.02) = 0.039% HA PRO 58 - HG LEU 123 11.111% * 0.0238% (0.14 1.0 1.00 0.02 0.02) = 0.024% HA SER 13 - HG LEU 123 11.111% * 0.0207% (0.12 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 15 - HG LEU 123 11.111% * 0.0207% (0.12 1.0 1.00 0.02 0.02) = 0.021% Peak 1595 (1.68, 1.85, 26.16 ppm): 12 chemical-shift based assignments, quality = 0.573, support = 5.47, residual support = 179.5: * O T HB2 LEU 123 - HG LEU 123 8.333% * 98.3506% (0.58 10.0 10.00 5.57 182.54) = 98.351% kept T HG3 PRO 93 - HG LEU 123 8.333% * 0.9804% (0.58 1.0 10.00 0.02 0.02) = 0.980% QD LYS+ 99 - HG LEU 123 8.333% * 0.2327% (0.16 1.0 1.00 0.17 0.02) = 0.233% QD LYS+ 102 - HG LEU 123 8.333% * 0.0876% (0.52 1.0 1.00 0.02 0.02) = 0.088% HD2 LYS+ 111 - HG LEU 123 8.333% * 0.0841% (0.50 1.0 1.00 0.02 0.02) = 0.084% HB3 MET 92 - HG LEU 123 8.333% * 0.0714% (0.42 1.0 1.00 0.02 0.02) = 0.071% HB2 LEU 73 - HG LEU 123 8.333% * 0.0525% (0.31 1.0 1.00 0.02 0.02) = 0.053% QD LYS+ 38 - HG LEU 123 8.333% * 0.0434% (0.26 1.0 1.00 0.02 0.02) = 0.043% QD LYS+ 106 - HG LEU 123 8.333% * 0.0310% (0.18 1.0 1.00 0.02 0.02) = 0.031% HB VAL 83 - HG LEU 123 8.333% * 0.0273% (0.16 1.0 1.00 0.02 0.02) = 0.027% QD LYS+ 65 - HG LEU 123 8.333% * 0.0209% (0.12 1.0 1.00 0.02 0.62) = 0.021% HB2 LYS+ 121 - HG LEU 123 8.333% * 0.0181% (0.11 1.0 1.00 0.02 1.71) = 0.018% Peak 1596 (1.63, 1.85, 26.16 ppm): 5 chemical-shift based assignments, quality = 0.58, support = 4.92, residual support = 182.0: * O T HB3 LEU 123 - HG LEU 123 20.000% * 99.6899% (0.58 10.0 10.00 4.94 182.54) = 99.690% kept QD LYS+ 33 - HG LEU 123 20.000% * 0.0997% (0.58 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 111 - HG LEU 123 20.000% * 0.0852% (0.50 1.0 1.00 0.02 0.02) = 0.085% QB ALA 57 - HG LEU 123 20.000% * 0.0812% (0.47 1.0 1.00 0.02 0.02) = 0.081% HD2 LYS+ 74 - HG LEU 123 20.000% * 0.0439% (0.26 1.0 1.00 0.02 0.11) = 0.044% Peak 1597 (1.85, 1.85, 26.16 ppm): 1 diagonal assignment: * HG LEU 123 - HG LEU 123 (0.34) kept Peak 1598 (0.86, 1.85, 26.16 ppm): 6 chemical-shift based assignments, quality = 0.574, support = 5.18, residual support = 180.1: * O T QD1 LEU 123 - HG LEU 123 16.667% * 98.6541% (0.58 10.0 10.00 5.26 182.54) = 98.654% kept HB3 LEU 104 - HG LEU 123 16.667% * 0.7381% (0.45 1.0 1.00 0.19 0.02) = 0.738% QD1 LEU 71 - HG LEU 123 16.667% * 0.4228% (0.58 1.0 1.00 0.09 0.02) = 0.423% QG1 VAL 70 - HG LEU 123 16.667% * 0.0879% (0.52 1.0 1.00 0.02 0.02) = 0.088% QG1 VAL 18 - HG LEU 123 16.667% * 0.0761% (0.45 1.0 1.00 0.02 0.02) = 0.076% HB3 LEU 63 - HG LEU 123 16.667% * 0.0210% (0.12 1.0 1.00 0.02 0.02) = 0.021% Peak 1599 (0.82, 1.85, 26.16 ppm): 2 chemical-shift based assignments, quality = 0.582, support = 4.48, residual support = 182.5: * O T QD2 LEU 123 - HG LEU 123 50.000% * 99.9646% (0.58 10.0 10.00 4.48 182.54) = 99.965% kept HG3 LYS+ 121 - HG LEU 123 50.000% * 0.0354% (0.21 1.0 1.00 0.02 1.71) = 0.035% Peak 1600 (4.38, 0.86, 26.01 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 5.72, residual support = 179.0: * T HA LEU 123 - QD1 LEU 123 11.111% * 98.0577% (1.00 10.00 5.82 182.54) = 98.058% kept HA ASN 35 - QD1 LEU 123 11.111% * 1.6238% (0.95 1.00 0.35 0.02) = 1.624% kept HA ILE 56 - QD1 LEU 123 11.111% * 0.0953% (0.97 1.00 0.02 0.02) = 0.095% HA LYS+ 99 - QD1 LEU 123 11.111% * 0.0799% (0.81 1.00 0.02 0.02) = 0.080% HA LEU 40 - QD1 LEU 123 11.111% * 0.0389% (0.40 1.00 0.02 0.52) = 0.039% HA ASP- 113 - QD1 LEU 123 11.111% * 0.0389% (0.40 1.00 0.02 0.02) = 0.039% HA PRO 58 - QD1 LEU 123 11.111% * 0.0239% (0.24 1.00 0.02 0.02) = 0.024% HA SER 13 - QD1 LEU 123 11.111% * 0.0208% (0.21 1.00 0.02 0.02) = 0.021% HA GLU- 15 - QD1 LEU 123 11.111% * 0.0208% (0.21 1.00 0.02 0.02) = 0.021% Peak 1601 (1.68, 0.86, 26.01 ppm): 12 chemical-shift based assignments, quality = 0.975, support = 5.78, residual support = 177.1: * O T HB2 LEU 123 - QD1 LEU 123 8.333% * 97.0088% (1.00 10.0 10.00 5.89 182.54) = 97.009% kept HB2 LYS+ 121 - QD1 LEU 123 8.333% * 2.4549% (0.18 1.0 1.00 2.75 1.71) = 2.455% kept HG3 PRO 93 - QD1 LEU 123 8.333% * 0.0967% (1.00 1.0 1.00 0.02 0.02) = 0.097% QD LYS+ 102 - QD1 LEU 123 8.333% * 0.0865% (0.89 1.0 1.00 0.02 0.02) = 0.086% HD2 LYS+ 111 - QD1 LEU 123 8.333% * 0.0829% (0.85 1.0 1.00 0.02 0.02) = 0.083% HB3 MET 92 - QD1 LEU 123 8.333% * 0.0704% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 73 - QD1 LEU 123 8.333% * 0.0518% (0.53 1.0 1.00 0.02 0.02) = 0.052% QD LYS+ 38 - QD1 LEU 123 8.333% * 0.0428% (0.44 1.0 1.00 0.02 0.02) = 0.043% QD LYS+ 106 - QD1 LEU 123 8.333% * 0.0306% (0.31 1.0 1.00 0.02 0.02) = 0.031% QD LYS+ 99 - QD1 LEU 123 8.333% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB VAL 83 - QD1 LEU 123 8.333% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% QD LYS+ 65 - QD1 LEU 123 8.333% * 0.0206% (0.21 1.0 1.00 0.02 0.62) = 0.021% Peak 1602 (1.63, 0.86, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 5.27, residual support = 181.1: * O T HB3 LEU 123 - QD1 LEU 123 20.000% * 99.2241% (1.00 10.0 10.00 5.31 182.54) = 99.224% kept QB ALA 57 - QD1 LEU 123 20.000% * 0.5481% (0.81 1.0 1.00 0.14 0.02) = 0.548% QD LYS+ 33 - QD1 LEU 123 20.000% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD3 LYS+ 111 - QD1 LEU 123 20.000% * 0.0848% (0.85 1.0 1.00 0.02 0.02) = 0.085% HD2 LYS+ 74 - QD1 LEU 123 20.000% * 0.0437% (0.44 1.0 1.00 0.02 0.11) = 0.044% Peak 1603 (1.85, 0.86, 26.01 ppm): 12 chemical-shift based assignments, quality = 0.576, support = 5.2, residual support = 180.6: * O T HG LEU 123 - QD1 LEU 123 8.333% * 98.9207% (0.58 10.0 10.00 5.26 182.54) = 98.921% kept HG3 PRO 68 - QD1 LEU 123 8.333% * 0.1514% (0.89 1.0 1.00 0.02 0.02) = 0.151% HB ILE 103 - QD1 LEU 123 8.333% * 0.1452% (0.85 1.0 1.00 0.02 0.02) = 0.145% HG2 ARG+ 54 - QD1 LEU 123 8.333% * 0.1384% (0.81 1.0 1.00 0.02 0.25) = 0.138% HB3 ASP- 105 - QD1 LEU 123 8.333% * 0.1311% (0.77 1.0 1.00 0.02 0.02) = 0.131% QB LYS+ 33 - QD1 LEU 123 8.333% * 0.1072% (0.63 1.0 1.00 0.02 0.02) = 0.107% HB3 PRO 52 - QD1 LEU 123 8.333% * 0.0989% (0.58 1.0 1.00 0.02 0.02) = 0.099% HB3 GLN 90 - QD1 LEU 123 8.333% * 0.0907% (0.53 1.0 1.00 0.02 0.02) = 0.091% QB LYS+ 81 - QD1 LEU 123 8.333% * 0.0749% (0.44 1.0 1.00 0.02 0.02) = 0.075% QB LYS+ 106 - QD1 LEU 123 8.333% * 0.0674% (0.40 1.0 1.00 0.02 0.02) = 0.067% HG12 ILE 103 - QD1 LEU 123 8.333% * 0.0472% (0.28 1.0 1.00 0.02 0.02) = 0.047% HB VAL 41 - QD1 LEU 123 8.333% * 0.0269% (0.16 1.0 1.00 0.02 0.52) = 0.027% Peak 1604 (0.86, 0.86, 26.01 ppm): 1 diagonal assignment: * QD1 LEU 123 - QD1 LEU 123 (1.00) kept Peak 1605 (0.82, 0.86, 26.01 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 182.5: * O T QD2 LEU 123 - QD1 LEU 123 50.000% * 99.9646% (1.00 10.0 10.00 4.86 182.54) = 99.965% kept HG3 LYS+ 121 - QD1 LEU 123 50.000% * 0.0354% (0.35 1.0 1.00 0.02 1.71) = 0.035% Peak 1606 (4.38, 0.82, 23.66 ppm): 9 chemical-shift based assignments, quality = 0.987, support = 4.87, residual support = 180.2: * T HA LEU 123 - QD2 LEU 123 11.111% * 98.7018% (1.00 10.00 4.93 182.54) = 98.702% kept HA ASN 35 - QD2 LEU 123 11.111% * 0.9775% (0.95 1.00 0.21 0.02) = 0.978% HA ILE 56 - QD2 LEU 123 11.111% * 0.0959% (0.97 1.00 0.02 0.02) = 0.096% HA LYS+ 99 - QD2 LEU 123 11.111% * 0.0804% (0.81 1.00 0.02 0.02) = 0.080% HA LEU 40 - QD2 LEU 123 11.111% * 0.0391% (0.40 1.00 0.02 0.52) = 0.039% HA ASP- 113 - QD2 LEU 123 11.111% * 0.0391% (0.40 1.00 0.02 0.02) = 0.039% HA PRO 58 - QD2 LEU 123 11.111% * 0.0241% (0.24 1.00 0.02 0.02) = 0.024% HA SER 13 - QD2 LEU 123 11.111% * 0.0210% (0.21 1.00 0.02 0.02) = 0.021% HA GLU- 15 - QD2 LEU 123 11.111% * 0.0210% (0.21 1.00 0.02 0.02) = 0.021% Peak 1607 (1.68, 0.82, 23.66 ppm): 12 chemical-shift based assignments, quality = 0.993, support = 5.05, residual support = 181.2: * O T HB2 LEU 123 - QD2 LEU 123 8.333% * 99.2686% (1.00 10.0 10.00 5.09 182.54) = 99.269% kept T HB2 LYS+ 121 - QD2 LEU 123 8.333% * 0.1827% (0.18 1.0 10.00 0.02 1.71) = 0.183% HG3 PRO 93 - QD2 LEU 123 8.333% * 0.0990% (1.00 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - QD2 LEU 123 8.333% * 0.0885% (0.89 1.0 1.00 0.02 0.02) = 0.088% HD2 LYS+ 111 - QD2 LEU 123 8.333% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB3 MET 92 - QD2 LEU 123 8.333% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 LEU 73 - QD2 LEU 123 8.333% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% QD LYS+ 38 - QD2 LEU 123 8.333% * 0.0438% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD LYS+ 106 - QD2 LEU 123 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% QD LYS+ 99 - QD2 LEU 123 8.333% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - QD2 LEU 123 8.333% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 65 - QD2 LEU 123 8.333% * 0.0211% (0.21 1.0 1.00 0.02 0.62) = 0.021% Peak 1608 (1.63, 0.82, 23.66 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 4.46, residual support = 181.1: * O T HB3 LEU 123 - QD2 LEU 123 20.000% * 99.2241% (1.00 10.0 10.00 4.50 182.54) = 99.224% kept QB ALA 57 - QD2 LEU 123 20.000% * 0.5481% (0.81 1.0 1.00 0.14 0.02) = 0.548% QD LYS+ 33 - QD2 LEU 123 20.000% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD3 LYS+ 111 - QD2 LEU 123 20.000% * 0.0848% (0.85 1.0 1.00 0.02 0.02) = 0.085% HD2 LYS+ 74 - QD2 LEU 123 20.000% * 0.0437% (0.44 1.0 1.00 0.02 0.11) = 0.044% Peak 1609 (1.85, 0.82, 23.66 ppm): 12 chemical-shift based assignments, quality = 0.579, support = 4.3, residual support = 174.4: * O T HG LEU 123 - QD2 LEU 123 8.333% * 95.5398% (0.58 10.0 10.00 4.48 182.54) = 95.540% kept QB LYS+ 33 - QD2 LEU 123 8.333% * 3.5213% (0.63 1.0 1.00 0.68 0.02) = 3.521% kept HG3 PRO 68 - QD2 LEU 123 8.333% * 0.1462% (0.89 1.0 1.00 0.02 0.02) = 0.146% HB ILE 103 - QD2 LEU 123 8.333% * 0.1403% (0.85 1.0 1.00 0.02 0.02) = 0.140% HG2 ARG+ 54 - QD2 LEU 123 8.333% * 0.1337% (0.81 1.0 1.00 0.02 0.25) = 0.134% HB3 ASP- 105 - QD2 LEU 123 8.333% * 0.1266% (0.77 1.0 1.00 0.02 0.02) = 0.127% HB3 PRO 52 - QD2 LEU 123 8.333% * 0.0955% (0.58 1.0 1.00 0.02 0.02) = 0.096% HB3 GLN 90 - QD2 LEU 123 8.333% * 0.0876% (0.53 1.0 1.00 0.02 0.02) = 0.088% QB LYS+ 81 - QD2 LEU 123 8.333% * 0.0723% (0.44 1.0 1.00 0.02 0.02) = 0.072% QB LYS+ 106 - QD2 LEU 123 8.333% * 0.0651% (0.40 1.0 1.00 0.02 0.02) = 0.065% HG12 ILE 103 - QD2 LEU 123 8.333% * 0.0456% (0.28 1.0 1.00 0.02 0.02) = 0.046% HB VAL 41 - QD2 LEU 123 8.333% * 0.0260% (0.16 1.0 1.00 0.02 0.52) = 0.026% Peak 1610 (0.86, 0.82, 23.66 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 4.78, residual support = 179.4: * O T QD1 LEU 123 - QD2 LEU 123 16.667% * 98.2979% (1.00 10.0 10.00 4.86 182.54) = 98.298% kept HB3 LEU 104 - QD2 LEU 123 16.667% * 1.0965% (0.77 1.0 1.00 0.29 0.02) = 1.097% kept QD1 LEU 71 - QD2 LEU 123 16.667% * 0.4212% (1.00 1.0 1.00 0.09 0.02) = 0.421% QG1 VAL 70 - QD2 LEU 123 16.667% * 0.0876% (0.89 1.0 1.00 0.02 0.02) = 0.088% QG1 VAL 18 - QD2 LEU 123 16.667% * 0.0759% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 LEU 63 - QD2 LEU 123 16.667% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1611 (0.82, 0.82, 23.66 ppm): 1 diagonal assignment: * QD2 LEU 123 - QD2 LEU 123 (1.00) kept Peak 1612 (4.11, 4.11, 54.16 ppm): 2 diagonal assignments: * HA ALA 124 - HA ALA 124 (1.00) kept HA ALA 34 - HA ALA 34 (0.02) kept Peak 1614 (1.35, 4.11, 54.16 ppm): 22 chemical-shift based assignments, quality = 0.966, support = 0.893, residual support = 6.44: * O T QB ALA 124 - HA ALA 124 4.545% * 83.7734% (1.00 10.0 10.00 1.00 7.68) = 83.773% kept T QB ALA 84 - HA ALA 124 4.545% * 14.3975% (0.89 1.0 10.00 0.39 0.02) = 14.397% kept T HB2 LEU 31 - HA ALA 34 4.545% * 0.8967% (0.04 1.0 10.00 0.56 8.35) = 0.897% T QB ALA 84 - HA ALA 34 4.545% * 0.3607% (0.06 1.0 10.00 0.13 0.02) = 0.361% HG LEU 98 - HA ALA 124 4.545% * 0.0814% (0.97 1.0 1.00 0.02 0.02) = 0.081% HB3 ASP- 44 - HA ALA 124 4.545% * 0.0796% (0.95 1.0 1.00 0.02 0.02) = 0.080% HB2 LEU 63 - HA ALA 124 4.545% * 0.0716% (0.85 1.0 1.00 0.02 0.02) = 0.072% HB3 PRO 93 - HA ALA 124 4.545% * 0.0716% (0.85 1.0 1.00 0.02 0.02) = 0.072% HB3 LEU 80 - HA ALA 124 4.545% * 0.0608% (0.73 1.0 1.00 0.02 0.02) = 0.061% T QB ALA 124 - HA ALA 34 4.545% * 0.0604% (0.07 1.0 10.00 0.02 0.02) = 0.060% HB2 LEU 31 - HA ALA 124 4.545% * 0.0447% (0.53 1.0 1.00 0.02 0.02) = 0.045% HG2 LYS+ 111 - HA ALA 124 4.545% * 0.0369% (0.44 1.0 1.00 0.02 0.02) = 0.037% HG3 LYS+ 106 - HA ALA 124 4.545% * 0.0178% (0.21 1.0 1.00 0.02 0.02) = 0.018% HG2 LYS+ 99 - HA ALA 124 4.545% * 0.0154% (0.18 1.0 1.00 0.02 0.02) = 0.015% HG LEU 98 - HA ALA 34 4.545% * 0.0059% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 ASP- 44 - HA ALA 34 4.545% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 63 - HA ALA 34 4.545% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 93 - HA ALA 34 4.545% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 80 - HA ALA 34 4.545% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% HG2 LYS+ 111 - HA ALA 34 4.545% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG3 LYS+ 106 - HA ALA 34 4.545% * 0.0013% (0.02 1.0 1.00 0.02 0.02) = 0.001% HG2 LYS+ 99 - HA ALA 34 4.545% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1629 (1.35, 1.35, 20.20 ppm): 1 diagonal assignment: * QB ALA 124 - QB ALA 124 (1.00) kept Peak 1630 (4.11, 1.35, 20.20 ppm): 7 chemical-shift based assignments, quality = 0.991, support = 0.991, residual support = 7.62: * O T HA ALA 124 - QB ALA 124 14.286% * 99.1443% (1.00 10.0 10.00 1.00 7.68) = 99.144% kept T HA ASN 28 - QB ALA 124 14.286% * 0.3932% (0.40 1.0 10.00 0.02 0.02) = 0.393% T HA ALA 34 - QB ALA 124 14.286% * 0.2107% (0.21 1.0 10.00 0.02 0.02) = 0.211% HA ARG+ 54 - QB ALA 124 14.286% * 0.0963% (0.97 1.0 1.00 0.02 0.02) = 0.096% HA LYS+ 81 - QB ALA 124 14.286% * 0.0673% (0.68 1.0 1.00 0.02 0.02) = 0.067% HA GLU- 36 - QB ALA 124 14.286% * 0.0530% (0.53 1.0 1.00 0.02 0.02) = 0.053% HA LEU 115 - QB ALA 124 14.286% * 0.0352% (0.35 1.0 1.00 0.02 0.02) = 0.035% Peak 1633 (1.63, 1.68, 43.16 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 5.36, residual support = 175.6: * O T HB3 LEU 123 - HB2 LEU 123 20.000% * 96.1981% (1.00 10.0 10.00 5.57 182.54) = 96.198% kept QB ALA 57 - HB2 LEU 123 20.000% * 1.5935% (0.81 1.0 1.00 0.41 0.02) = 1.593% kept T QD LYS+ 33 - HB2 LEU 123 20.000% * 0.9620% (1.00 1.0 10.00 0.02 0.02) = 0.962% T HD3 LYS+ 111 - HB2 LEU 123 20.000% * 0.8224% (0.85 1.0 10.00 0.02 0.02) = 0.822% T HD2 LYS+ 74 - HB2 LEU 123 20.000% * 0.4240% (0.44 1.0 10.00 0.02 0.11) = 0.424% Peak 1634 (1.63, 1.63, 43.16 ppm): 1 diagonal assignment: * HB3 LEU 123 - HB3 LEU 123 (1.00) kept Peak 1635 (1.68, 1.63, 43.16 ppm): 12 chemical-shift based assignments, quality = 0.96, support = 5.41, residual support = 177.4: O T HB2 LEU 123 - HB3 LEU 123 8.333% * 97.1979% (0.99 10.0 10.00 5.57 182.54) = 97.198% kept T QD LYS+ 102 - HB3 LEU 123 8.333% * 0.9354% (0.95 1.0 10.00 0.02 0.02) = 0.935% T HD2 LYS+ 111 - HB3 LEU 123 8.333% * 0.7597% (0.77 1.0 10.00 0.02 0.02) = 0.760% T QD LYS+ 38 - HB3 LEU 123 8.333% * 0.5258% (0.53 1.0 10.00 0.02 0.02) = 0.526% T QD LYS+ 65 - HB3 LEU 123 8.333% * 0.2737% (0.28 1.0 10.00 0.02 0.62) = 0.274% HG3 PRO 93 - HB3 LEU 123 8.333% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 MET 92 - HB3 LEU 123 8.333% * 0.0621% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB2 LEU 73 - HB3 LEU 123 8.333% * 0.0434% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB VAL 83 - HB3 LEU 123 8.333% * 0.0349% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 121 - HB3 LEU 123 8.333% * 0.0240% (0.24 1.0 1.00 0.02 1.71) = 0.024% QD LYS+ 106 - HB3 LEU 123 8.333% * 0.0240% (0.24 1.0 1.00 0.02 0.02) = 0.024% QD LYS+ 99 - HB3 LEU 123 8.333% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1636 (0.86, 1.63, 43.16 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 5.23, residual support = 179.6: * O T QD1 LEU 123 - HB3 LEU 123 16.667% * 98.3935% (1.00 10.0 10.00 5.31 182.54) = 98.394% kept HB3 LEU 104 - HB3 LEU 123 16.667% * 0.7362% (0.77 1.0 1.00 0.19 0.02) = 0.736% QD1 LEU 71 - HB3 LEU 123 16.667% * 0.4216% (1.00 1.0 1.00 0.09 0.02) = 0.422% QG1 VAL 70 - HB3 LEU 123 16.667% * 0.3518% (0.89 1.0 1.00 0.08 0.02) = 0.352% QG1 VAL 18 - HB3 LEU 123 16.667% * 0.0759% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 LEU 63 - HB3 LEU 123 16.667% * 0.0209% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1637 (0.82, 1.63, 43.16 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 182.5: * O T QD2 LEU 123 - HB3 LEU 123 50.000% * 99.9646% (1.00 10.0 10.00 4.50 182.54) = 99.965% kept HG3 LYS+ 121 - HB3 LEU 123 50.000% * 0.0354% (0.35 1.0 1.00 0.02 1.71) = 0.035% Peak 1638 (1.85, 1.63, 43.16 ppm): 12 chemical-shift based assignments, quality = 0.652, support = 3.49, residual support = 121.1: * O T HG LEU 123 - HB3 LEU 123 8.333% * 66.2754% (0.58 10.0 10.00 4.94 182.54) = 66.275% kept T HG2 ARG+ 54 - HB3 LEU 123 8.333% * 31.5352% (0.81 1.0 10.00 0.68 0.25) = 31.535% kept T HG3 PRO 68 - HB3 LEU 123 8.333% * 1.0144% (0.89 1.0 10.00 0.02 0.02) = 1.014% kept T QB LYS+ 33 - HB3 LEU 123 8.333% * 0.7180% (0.63 1.0 10.00 0.02 0.02) = 0.718% HB ILE 103 - HB3 LEU 123 8.333% * 0.0973% (0.85 1.0 1.00 0.02 0.02) = 0.097% HB3 ASP- 105 - HB3 LEU 123 8.333% * 0.0878% (0.77 1.0 1.00 0.02 0.02) = 0.088% HB3 PRO 52 - HB3 LEU 123 8.333% * 0.0663% (0.58 1.0 1.00 0.02 0.02) = 0.066% HB3 GLN 90 - HB3 LEU 123 8.333% * 0.0608% (0.53 1.0 1.00 0.02 0.02) = 0.061% QB LYS+ 81 - HB3 LEU 123 8.333% * 0.0502% (0.44 1.0 1.00 0.02 0.02) = 0.050% QB LYS+ 106 - HB3 LEU 123 8.333% * 0.0451% (0.40 1.0 1.00 0.02 0.02) = 0.045% HG12 ILE 103 - HB3 LEU 123 8.333% * 0.0316% (0.28 1.0 1.00 0.02 0.02) = 0.032% HB VAL 41 - HB3 LEU 123 8.333% * 0.0180% (0.16 1.0 1.00 0.02 0.52) = 0.018% Peak 1639 (4.38, 1.63, 43.16 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 5.29, residual support = 179.0: * O T HA LEU 123 - HB3 LEU 123 11.111% * 98.0476% (1.00 10.0 10.00 5.39 182.54) = 98.048% kept HA ASN 35 - HB3 LEU 123 11.111% * 1.6339% (0.95 1.0 1.00 0.35 0.02) = 1.634% kept HA ILE 56 - HB3 LEU 123 11.111% * 0.0953% (0.97 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 99 - HB3 LEU 123 11.111% * 0.0799% (0.81 1.0 1.00 0.02 0.02) = 0.080% HA LEU 40 - HB3 LEU 123 11.111% * 0.0389% (0.40 1.0 1.00 0.02 0.52) = 0.039% HA ASP- 113 - HB3 LEU 123 11.111% * 0.0389% (0.40 1.0 1.00 0.02 0.02) = 0.039% HA PRO 58 - HB3 LEU 123 11.111% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA SER 13 - HB3 LEU 123 11.111% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% HA GLU- 15 - HB3 LEU 123 11.111% * 0.0208% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1657 (1.50, 1.41, 29.95 ppm): 7 chemical-shift based assignments, quality = 0.872, support = 5.63, residual support = 266.9: * O HD2 LYS+ 121 - HD3 LYS+ 121 14.286% * 83.3601% (1.00 10.0 5.52 270.40) = 83.360% kept O HB3 LYS+ 121 - HD3 LYS+ 121 14.286% * 15.3385% (0.18 10.0 6.69 270.40) = 15.339% kept QG2 THR 26 - HD3 LYS+ 121 14.286% * 1.0866% (0.95 1.0 0.27 0.02) = 1.087% kept HG2 LYS+ 65 - HD3 LYS+ 121 14.286% * 0.0823% (0.99 1.0 0.02 0.02) = 0.082% QD LYS+ 66 - HD3 LYS+ 121 14.286% * 0.0605% (0.73 1.0 0.02 0.02) = 0.061% HB2 LYS+ 74 - HD3 LYS+ 121 14.286% * 0.0566% (0.68 1.0 0.02 0.15) = 0.057% HG LEU 104 - HD3 LYS+ 121 14.286% * 0.0153% (0.18 1.0 0.02 0.02) = 0.015% Peak 1658 (1.41, 1.41, 29.95 ppm): 1 diagonal assignment: * HD3 LYS+ 121 - HD3 LYS+ 121 (1.00) kept Peak 1659 (1.15, 1.41, 29.95 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.3, residual support = 269.8: * O HG2 LYS+ 121 - HD3 LYS+ 121 16.667% * 99.7691% (1.00 10.0 6.31 270.40) = 99.769% kept QG2 VAL 107 - HD3 LYS+ 121 16.667% * 0.0889% (0.89 1.0 0.02 0.02) = 0.089% QB ALA 20 - HD3 LYS+ 121 16.667% * 0.0724% (0.73 1.0 0.02 0.02) = 0.072% HG13 ILE 103 - HD3 LYS+ 121 16.667% * 0.0354% (0.35 1.0 0.02 0.02) = 0.035% HG13 ILE 119 - HD3 LYS+ 121 16.667% * 0.0184% (0.18 1.0 0.02 3.51) = 0.018% HB3 LEU 31 - HD3 LYS+ 121 16.667% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 1660 (0.80, 1.41, 29.95 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 5.85, residual support = 263.3: * O HG3 LYS+ 121 - HD3 LYS+ 121 25.000% * 97.3879% (1.00 10.0 1.00 6.00 270.40) = 97.388% kept T QD1 ILE 56 - HD3 LYS+ 121 25.000% * 2.5568% (0.49 1.0 10.00 0.11 0.02) = 2.557% kept QD2 LEU 123 - HD3 LYS+ 121 25.000% * 0.0345% (0.35 1.0 1.00 0.02 1.71) = 0.035% QD2 LEU 73 - HD3 LYS+ 121 25.000% * 0.0207% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 1661 (1.66, 1.41, 29.95 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 6.91, residual support = 268.8: * O HB2 LYS+ 121 - HD3 LYS+ 121 10.000% * 99.4164% (1.00 10.0 1.00 6.95 270.40) = 99.416% kept T HD3 LYS+ 111 - HD3 LYS+ 121 10.000% * 0.1574% (0.16 1.0 10.00 0.02 0.28) = 0.157% QD LYS+ 65 - HD3 LYS+ 121 10.000% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB VAL 83 - HD3 LYS+ 121 10.000% * 0.0966% (0.97 1.0 1.00 0.02 0.02) = 0.097% QD LYS+ 38 - HD3 LYS+ 121 10.000% * 0.0850% (0.85 1.0 1.00 0.02 0.02) = 0.085% HD2 LYS+ 74 - HD3 LYS+ 121 10.000% * 0.0484% (0.49 1.0 1.00 0.02 0.15) = 0.048% QD LYS+ 102 - HD3 LYS+ 121 10.000% * 0.0394% (0.40 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 93 - HD3 LYS+ 121 10.000% * 0.0211% (0.21 1.0 1.00 0.02 0.02) = 0.021% HB2 LEU 123 - HD3 LYS+ 121 10.000% * 0.0183% (0.18 1.0 1.00 0.02 1.71) = 0.018% QB ALA 57 - HD3 LYS+ 121 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1662 (2.75, 1.41, 29.95 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 5.15, residual support = 227.8: * O QE LYS+ 121 - HD3 LYS+ 121 25.000% * 81.6815% (1.00 10.0 5.32 270.40) = 81.681% kept HB3 HIS 122 - HD3 LYS+ 121 25.000% * 15.6488% (0.77 1.0 4.97 43.70) = 15.649% kept HG2 GLN 30 - HD3 LYS+ 121 25.000% * 2.6440% (0.58 1.0 1.11 3.83) = 2.644% kept HB3 ASN 28 - HD3 LYS+ 121 25.000% * 0.0257% (0.31 1.0 0.02 0.02) = 0.026% Peak 1663 (3.94, 1.41, 29.95 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 5.85, residual support = 242.2: * T HA LYS+ 121 - HD3 LYS+ 121 10.000% * 89.3612% (1.00 10.00 6.17 270.40) = 89.361% kept HA ALA 120 - HD3 LYS+ 121 10.000% * 10.0572% (0.68 1.00 3.32 5.33) = 10.057% kept T HA LYS+ 65 - HD3 LYS+ 121 10.000% * 0.1899% (0.21 10.00 0.02 0.02) = 0.190% HB THR 94 - HD3 LYS+ 121 10.000% * 0.0882% (0.99 1.00 0.02 0.02) = 0.088% HA2 GLY 51 - HD3 LYS+ 121 10.000% * 0.0882% (0.99 1.00 0.02 0.02) = 0.088% QB SER 48 - HD3 LYS+ 121 10.000% * 0.0825% (0.92 1.00 0.02 0.02) = 0.082% QB SER 117 - HD3 LYS+ 121 10.000% * 0.0690% (0.77 1.00 0.02 0.02) = 0.069% QB SER 85 - HD3 LYS+ 121 10.000% * 0.0248% (0.28 1.00 0.02 0.02) = 0.025% HA2 GLY 16 - HD3 LYS+ 121 10.000% * 0.0248% (0.28 1.00 0.02 0.02) = 0.025% HA PHE 60 - HD3 LYS+ 121 10.000% * 0.0141% (0.16 1.00 0.02 0.76) = 0.014% Peak 1665 (1.50, 1.52, 32.89 ppm): 1 diagonal assignment: HB3 LYS+ 121 - HB3 LYS+ 121 (0.14) kept Reference assignment not found: HD2 LYS+ 121 - HB3 LYS+ 121 Peak 1666 (1.52, 1.52, 32.89 ppm): 1 diagonal assignment: * HB3 LYS+ 121 - HB3 LYS+ 121 (0.60) kept Peak 1667 (1.15, 1.52, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.77, support = 7.34, residual support = 269.8: * O T HG2 LYS+ 121 - HB3 LYS+ 121 16.667% * 99.7691% (0.77 10.0 10.00 7.36 270.40) = 99.769% kept QG2 VAL 107 - HB3 LYS+ 121 16.667% * 0.0889% (0.69 1.0 1.00 0.02 0.02) = 0.089% QB ALA 20 - HB3 LYS+ 121 16.667% * 0.0724% (0.56 1.0 1.00 0.02 0.02) = 0.072% HG13 ILE 103 - HB3 LYS+ 121 16.667% * 0.0354% (0.27 1.0 1.00 0.02 0.02) = 0.035% HG13 ILE 119 - HB3 LYS+ 121 16.667% * 0.0184% (0.14 1.0 1.00 0.02 3.51) = 0.018% HB3 LEU 31 - HB3 LYS+ 121 16.667% * 0.0158% (0.12 1.0 1.00 0.02 0.02) = 0.016% Peak 1668 (0.80, 1.52, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.769, support = 6.67, residual support = 269.6: * O T HG3 LYS+ 121 - HB3 LYS+ 121 25.000% * 99.7042% (0.77 10.0 10.00 6.69 270.40) = 99.704% kept T QD2 LEU 73 - HB3 LYS+ 121 25.000% * 0.2119% (0.16 1.0 10.00 0.02 0.02) = 0.212% QD1 ILE 56 - HB3 LYS+ 121 25.000% * 0.0485% (0.38 1.0 1.00 0.02 0.02) = 0.049% QD2 LEU 123 - HB3 LYS+ 121 25.000% * 0.0354% (0.27 1.0 1.00 0.02 1.71) = 0.035% Peak 1669 (1.66, 1.52, 32.89 ppm): 10 chemical-shift based assignments, quality = 0.766, support = 8.18, residual support = 268.4: * O T HB2 LYS+ 121 - HB3 LYS+ 121 10.000% * 99.2571% (0.77 10.0 10.00 8.24 270.40) = 99.257% kept HB VAL 83 - HB3 LYS+ 121 10.000% * 0.3981% (0.75 1.0 1.00 0.08 0.02) = 0.398% QD LYS+ 65 - HB3 LYS+ 121 10.000% * 0.0989% (0.77 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 38 - HB3 LYS+ 121 10.000% * 0.0849% (0.66 1.0 1.00 0.02 0.02) = 0.085% HD2 LYS+ 74 - HB3 LYS+ 121 10.000% * 0.0483% (0.38 1.0 1.00 0.02 0.15) = 0.048% QD LYS+ 102 - HB3 LYS+ 121 10.000% * 0.0394% (0.31 1.0 1.00 0.02 0.02) = 0.039% HG3 PRO 93 - HB3 LYS+ 121 10.000% * 0.0211% (0.16 1.0 1.00 0.02 0.02) = 0.021% HB2 LEU 123 - HB3 LYS+ 121 10.000% * 0.0183% (0.14 1.0 1.00 0.02 1.71) = 0.018% QB ALA 57 - HB3 LYS+ 121 10.000% * 0.0183% (0.14 1.0 1.00 0.02 0.02) = 0.018% HD3 LYS+ 111 - HB3 LYS+ 121 10.000% * 0.0157% (0.12 1.0 1.00 0.02 0.28) = 0.016% Peak 1670 (2.75, 1.52, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.642, support = 5.06, residual support = 139.1: * QE LYS+ 121 - HB3 LYS+ 121 25.000% * 46.1394% (0.77 1.00 6.75 270.40) = 46.139% kept HB3 HIS 122 - HB3 LYS+ 121 25.000% * 30.9153% (0.60 1.00 5.86 43.70) = 30.915% kept T HG2 GLN 30 - HB3 LYS+ 121 25.000% * 22.7359% (0.45 10.00 0.57 3.83) = 22.736% kept HB3 ASN 28 - HB3 LYS+ 121 25.000% * 0.2094% (0.24 1.00 0.10 0.02) = 0.209% Peak 1671 (3.94, 1.52, 32.89 ppm): 10 chemical-shift based assignments, quality = 0.739, support = 7.36, residual support = 238.5: * O T HA LYS+ 121 - HB3 LYS+ 121 10.000% * 87.9695% (0.77 10.0 10.00 7.87 270.40) = 87.969% kept HA ALA 120 - HB3 LYS+ 121 10.000% * 11.4580% (0.52 1.0 1.00 3.84 5.33) = 11.458% kept T HA LYS+ 65 - HB3 LYS+ 121 10.000% * 0.1869% (0.16 1.0 10.00 0.02 0.02) = 0.187% HB THR 94 - HB3 LYS+ 121 10.000% * 0.0869% (0.76 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - HB3 LYS+ 121 10.000% * 0.0869% (0.76 1.0 1.00 0.02 0.02) = 0.087% QB SER 48 - HB3 LYS+ 121 10.000% * 0.0812% (0.71 1.0 1.00 0.02 0.02) = 0.081% QB SER 117 - HB3 LYS+ 121 10.000% * 0.0679% (0.60 1.0 1.00 0.02 0.02) = 0.068% QB SER 85 - HB3 LYS+ 121 10.000% * 0.0245% (0.21 1.0 1.00 0.02 0.02) = 0.024% HA2 GLY 16 - HB3 LYS+ 121 10.000% * 0.0245% (0.21 1.0 1.00 0.02 0.02) = 0.024% HA PHE 60 - HB3 LYS+ 121 10.000% * 0.0139% (0.12 1.0 1.00 0.02 0.76) = 0.014% Peak 1672 (1.52, 1.66, 32.89 ppm): 9 chemical-shift based assignments, quality = 0.665, support = 7.74, residual support = 260.8: * O T HB3 LYS+ 121 - HB2 LYS+ 121 11.111% * 56.9980% (0.77 10.0 10.00 8.24 270.40) = 56.998% kept O T HD2 LYS+ 121 - HB2 LYS+ 121 11.111% * 39.4493% (0.53 10.0 10.00 7.69 270.40) = 39.449% kept HG LEU 104 - HB2 LYS+ 121 11.111% * 1.1164% (0.77 1.0 1.00 0.39 0.02) = 1.116% kept HB3 LYS+ 111 - HB2 LYS+ 121 11.111% * 1.0023% (0.63 1.0 1.00 0.43 0.28) = 1.002% kept T QD LYS+ 66 - HB2 LYS+ 121 11.111% * 0.7018% (0.95 1.0 10.00 0.02 0.02) = 0.702% T HG2 LYS+ 65 - HB2 LYS+ 121 11.111% * 0.3256% (0.44 1.0 10.00 0.02 0.02) = 0.326% QG2 THR 26 - HB2 LYS+ 121 11.111% * 0.2637% (0.35 1.0 1.00 0.20 0.02) = 0.264% T HB2 LYS+ 74 - HB2 LYS+ 121 11.111% * 0.1000% (0.14 1.0 10.00 0.02 0.15) = 0.100% HD3 LYS+ 74 - HB2 LYS+ 121 11.111% * 0.0430% (0.58 1.0 1.00 0.02 0.15) = 0.043% Peak 1674 (1.52, 3.94, 58.66 ppm): 18 chemical-shift based assignments, quality = 0.635, support = 7.31, residual support = 252.2: * O T HB3 LYS+ 121 - HA LYS+ 121 5.556% * 54.6682% (0.77 10.0 10.00 7.87 270.40) = 54.668% kept T HD2 LYS+ 121 - HA LYS+ 121 5.556% * 37.8368% (0.53 1.0 10.00 7.46 270.40) = 37.837% kept T QD LYS+ 66 - HA LYS+ 65 5.556% * 2.6318% (0.04 1.0 10.00 4.66 29.03) = 2.632% kept HG LEU 104 - HA LYS+ 121 5.556% * 1.2525% (0.77 1.0 1.00 0.46 0.02) = 1.252% kept O T HG2 LYS+ 65 - HA LYS+ 65 5.556% * 1.2210% (0.02 10.0 10.00 4.67 109.67) = 1.221% kept HB3 LYS+ 111 - HA LYS+ 121 5.556% * 0.9422% (0.63 1.0 1.00 0.42 0.28) = 0.942% T QD LYS+ 66 - HA LYS+ 121 5.556% * 0.6731% (0.95 1.0 10.00 0.02 0.02) = 0.673% T HG2 LYS+ 65 - HA LYS+ 121 5.556% * 0.3123% (0.44 1.0 10.00 0.02 0.02) = 0.312% QG2 THR 26 - HA LYS+ 121 5.556% * 0.2443% (0.35 1.0 1.00 0.19 0.02) = 0.244% HD3 LYS+ 74 - HA LYS+ 121 5.556% * 0.1653% (0.58 1.0 1.00 0.08 0.15) = 0.165% T HB3 LYS+ 121 - HA LYS+ 65 5.556% * 0.0214% (0.03 1.0 10.00 0.02 0.02) = 0.021% T HD2 LYS+ 121 - HA LYS+ 65 5.556% * 0.0148% (0.02 1.0 10.00 0.02 0.02) = 0.015% HB2 LYS+ 74 - HA LYS+ 121 5.556% * 0.0096% (0.14 1.0 1.00 0.02 0.15) = 0.010% HG LEU 104 - HA LYS+ 65 5.556% * 0.0021% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 LYS+ 111 - HA LYS+ 65 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% HD3 LYS+ 74 - HA LYS+ 65 5.556% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% QG2 THR 26 - HA LYS+ 65 5.556% * 0.0010% (0.01 1.0 1.00 0.02 0.35) = 0.001% HB2 LYS+ 74 - HA LYS+ 65 5.556% * 0.0004% (0.01 1.0 1.00 0.02 0.02) = 0.000% Peak 1675 (1.41, 3.94, 58.66 ppm): 20 chemical-shift based assignments, quality = 0.994, support = 6.13, residual support = 268.7: * T HD3 LYS+ 121 - HA LYS+ 121 5.000% * 99.3548% (1.00 10.00 6.17 270.40) = 99.355% kept T HG3 LYS+ 33 - HA LYS+ 65 5.000% * 0.1107% (0.01 10.00 0.42 1.01) = 0.111% HB3 LYS+ 74 - HA LYS+ 121 5.000% * 0.0990% (1.00 1.00 0.02 0.15) = 0.099% HB2 LEU 80 - HA LYS+ 121 5.000% * 0.0944% (0.95 1.00 0.02 0.02) = 0.094% QB LEU 98 - HA LYS+ 121 5.000% * 0.0810% (0.81 1.00 0.02 0.02) = 0.081% QB ALA 12 - HA LYS+ 121 5.000% * 0.0484% (0.49 1.00 0.02 0.02) = 0.048% HG12 ILE 19 - HA LYS+ 121 5.000% * 0.0484% (0.49 1.00 0.02 0.02) = 0.048% QB ALA 110 - HA LYS+ 121 5.000% * 0.0394% (0.40 1.00 0.02 0.02) = 0.039% T HD3 LYS+ 121 - HA LYS+ 65 5.000% * 0.0388% (0.04 10.00 0.02 0.02) = 0.039% HG LEU 80 - HA LYS+ 121 5.000% * 0.0352% (0.35 1.00 0.02 0.02) = 0.035% QB ALA 61 - HA LYS+ 121 5.000% * 0.0183% (0.18 1.00 0.02 0.02) = 0.018% HG3 LYS+ 33 - HA LYS+ 121 5.000% * 0.0134% (0.14 1.00 0.02 0.02) = 0.013% HB3 LYS+ 74 - HA LYS+ 65 5.000% * 0.0039% (0.04 1.00 0.02 0.02) = 0.004% HB2 LEU 80 - HA LYS+ 65 5.000% * 0.0037% (0.04 1.00 0.02 0.02) = 0.004% QB LEU 98 - HA LYS+ 65 5.000% * 0.0032% (0.03 1.00 0.02 0.02) = 0.003% QB ALA 12 - HA LYS+ 65 5.000% * 0.0019% (0.02 1.00 0.02 0.02) = 0.002% HG12 ILE 19 - HA LYS+ 65 5.000% * 0.0019% (0.02 1.00 0.02 0.02) = 0.002% QB ALA 110 - HA LYS+ 65 5.000% * 0.0015% (0.02 1.00 0.02 0.02) = 0.002% HG LEU 80 - HA LYS+ 65 5.000% * 0.0014% (0.01 1.00 0.02 0.02) = 0.001% QB ALA 61 - HA LYS+ 65 5.000% * 0.0007% (0.01 1.00 0.02 0.02) = 0.001% Peak 1676 (2.75, 2.75, 41.87 ppm): 1 diagonal assignment: * QE LYS+ 121 - QE LYS+ 121 (1.00) kept Peak 1684 (0.24, 0.24, 20.84 ppm): 1 diagonal assignment: * QG2 THR 118 - QG2 THR 118 (0.73) kept Peak 1685 (3.69, 3.69, 67.42 ppm): 1 diagonal assignment: * HA THR 118 - HA THR 118 (0.73) kept Peak 1686 (3.88, 3.88, 68.07 ppm): 1 diagonal assignment: * HB THR 118 - HB THR 118 (1.00) kept Peak 1694 (1.98, 1.46, 42.01 ppm): 16 chemical-shift based assignments, quality = 0.954, support = 6.21, residual support = 167.5: * O T HB2 LEU 115 - HB3 LEU 115 6.250% * 94.7008% (1.00 10.0 10.00 6.39 175.92) = 94.701% kept QB GLU- 114 - HB3 LEU 115 6.250% * 3.6666% (0.18 1.0 1.00 4.21 24.27) = 3.667% kept HG3 PRO 58 - HB3 LEU 115 6.250% * 0.7454% (1.00 1.0 1.00 0.16 0.20) = 0.745% T HB2 LEU 67 - HB3 LEU 115 6.250% * 0.6877% (0.73 1.0 10.00 0.02 0.02) = 0.688% T HB2 LEU 115 - HB3 LEU 40 6.250% * 0.0722% (0.08 1.0 10.00 0.02 0.02) = 0.072% HB VAL 18 - HB3 LEU 115 6.250% * 0.0376% (0.40 1.0 1.00 0.02 0.02) = 0.038% HG2 PRO 68 - HB3 LEU 115 6.250% * 0.0298% (0.31 1.0 1.00 0.02 0.02) = 0.030% HB ILE 19 - HB3 LEU 115 6.250% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 ARG+ 54 - HB3 LEU 115 6.250% * 0.0150% (0.16 1.0 1.00 0.02 0.95) = 0.015% HG3 PRO 58 - HB3 LEU 40 6.250% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 LEU 67 - HB3 LEU 40 6.250% * 0.0052% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB VAL 18 - HB3 LEU 40 6.250% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 PRO 68 - HB3 LEU 40 6.250% * 0.0023% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB ILE 19 - HB3 LEU 40 6.250% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB GLU- 114 - HB3 LEU 40 6.250% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB3 ARG+ 54 - HB3 LEU 40 6.250% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1695 (1.46, 1.46, 42.01 ppm): 2 diagonal assignments: * HB3 LEU 115 - HB3 LEU 115 (1.00) kept HB3 LEU 40 - HB3 LEU 40 (0.02) kept Peak 1704 (2.43, 2.43, 41.54 ppm): 2 diagonal assignments: * QE LYS+ 112 - QE LYS+ 112 (0.60) kept HB3 ASP- 62 - HB3 ASP- 62 (0.03) kept Peak 1709 (1.37, 1.19, 32.81 ppm): 12 chemical-shift based assignments, quality = 0.985, support = 6.75, residual support = 190.3: * O T HB2 LYS+ 112 - HB3 LYS+ 112 8.333% * 95.4980% (1.00 10.0 10.00 7.05 199.22) = 95.498% kept HB3 LEU 73 - HB3 LYS+ 112 8.333% * 3.1263% (0.97 1.0 1.00 0.67 2.51) = 3.126% kept T HB VAL 42 - HB3 LYS+ 112 8.333% * 0.8816% (0.92 1.0 10.00 0.02 0.02) = 0.882% HG3 LYS+ 102 - HB3 LYS+ 112 8.333% * 0.0943% (0.99 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 106 - HB3 LYS+ 112 8.333% * 0.0928% (0.97 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 65 - HB3 LYS+ 112 8.333% * 0.0882% (0.92 1.0 1.00 0.02 0.02) = 0.088% HG3 LYS+ 33 - HB3 LYS+ 112 8.333% * 0.0816% (0.85 1.0 1.00 0.02 0.02) = 0.082% QB ALA 12 - HB3 LYS+ 112 8.333% * 0.0379% (0.40 1.0 1.00 0.02 0.02) = 0.038% HB3 PRO 93 - HB3 LYS+ 112 8.333% * 0.0339% (0.35 1.0 1.00 0.02 0.02) = 0.034% QB ALA 84 - HB3 LYS+ 112 8.333% * 0.0301% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG LEU 98 - HB3 LYS+ 112 8.333% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% QB LEU 98 - HB3 LYS+ 112 8.333% * 0.0151% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 1710 (1.19, 1.19, 32.81 ppm): 1 diagonal assignment: * HB3 LYS+ 112 - HB3 LYS+ 112 (1.00) kept Peak 1716 (1.20, 1.11, 29.98 ppm): 6 chemical-shift based assignments, quality = 0.787, support = 4.01, residual support = 194.4: * O HD2 LYS+ 112 - HD3 LYS+ 112 16.667% * 57.9211% (0.92 10.0 3.22 199.22) = 57.921% kept O HB3 LYS+ 112 - HD3 LYS+ 112 16.667% * 39.3258% (0.63 10.0 5.19 199.22) = 39.326% kept HG3 LYS+ 111 - HD3 LYS+ 112 16.667% * 2.6432% (0.23 1.0 3.74 25.68) = 2.643% kept HB3 LEU 71 - HD3 LYS+ 112 16.667% * 0.0572% (0.91 1.0 0.02 0.02) = 0.057% QG2 THR 94 - HD3 LYS+ 112 16.667% * 0.0421% (0.67 1.0 0.02 0.58) = 0.042% HG12 ILE 89 - HD3 LYS+ 112 16.667% * 0.0107% (0.17 1.0 0.02 0.02) = 0.011% Peak 1717 (1.11, 1.11, 29.98 ppm): 1 diagonal assignment: * HD3 LYS+ 112 - HD3 LYS+ 112 (0.85) kept Peak 1724 (2.02, 1.53, 33.52 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 6.72, residual support = 277.3: * O HB2 LYS+ 111 - HB3 LYS+ 111 10.000% * 99.4797% (1.00 10.0 6.76 278.71) = 99.480% kept HB2 GLN 17 - HB3 LYS+ 111 10.000% * 0.0982% (0.99 1.0 0.02 0.02) = 0.098% QB GLU- 15 - HB3 LYS+ 111 10.000% * 0.0982% (0.99 1.0 0.02 0.02) = 0.098% HB3 GLU- 25 - HB3 LYS+ 111 10.000% * 0.0850% (0.85 1.0 0.02 0.02) = 0.085% HB3 PRO 68 - HB3 LYS+ 111 10.000% * 0.0811% (0.81 1.0 0.02 0.02) = 0.081% QB GLU- 114 - HB3 LYS+ 111 10.000% * 0.0438% (0.44 1.0 0.02 0.49) = 0.044% HG3 GLN 30 - HB3 LYS+ 111 10.000% * 0.0353% (0.35 1.0 0.02 0.02) = 0.035% HB ILE 19 - HB3 LYS+ 111 10.000% * 0.0353% (0.35 1.0 0.02 0.02) = 0.035% HG2 PRO 68 - HB3 LYS+ 111 10.000% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HB3 GLU- 100 - HB3 LYS+ 111 10.000% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% Peak 1725 (1.53, 1.53, 33.52 ppm): 1 diagonal assignment: * HB3 LYS+ 111 - HB3 LYS+ 111 (1.00) kept Peak 1743 (1.09, 1.09, 22.46 ppm): 1 diagonal assignment: * QG1 VAL 107 - QG1 VAL 107 (1.00) kept Peak 1745 (1.15, 1.15, 21.16 ppm): 1 diagonal assignment: * QG2 VAL 107 - QG2 VAL 107 (1.00) kept Peak 1747 (1.09, 4.48, 62.32 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.84, residual support = 50.4: * O T QG1 VAL 107 - HA VAL 107 33.333% * 99.8600% (1.00 10.0 10.00 3.84 50.44) = 99.860% kept QG1 VAL 24 - HA VAL 107 33.333% * 0.0771% (0.77 1.0 1.00 0.02 0.02) = 0.077% HD3 LYS+ 112 - HA VAL 107 33.333% * 0.0630% (0.63 1.0 1.00 0.02 0.02) = 0.063% Peak 1748 (1.15, 4.48, 62.32 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 3.59, residual support = 50.1: * O T QG2 VAL 107 - HA VAL 107 25.000% * 99.3128% (1.00 10.0 10.00 3.62 50.44) = 99.313% kept QB ALA 20 - HA VAL 107 25.000% * 0.5360% (0.44 1.0 1.00 0.24 0.02) = 0.536% HG2 LYS+ 121 - HA VAL 107 25.000% * 0.0885% (0.89 1.0 1.00 0.02 0.02) = 0.089% HG13 ILE 103 - HA VAL 107 25.000% * 0.0626% (0.63 1.0 1.00 0.02 0.02) = 0.063% Peak 1750 (1.86, 4.80, 54.18 ppm): 12 chemical-shift based assignments, quality = 0.966, support = 2.79, residual support = 31.1: * O T HB3 ASP- 105 - HA ASP- 105 8.333% * 83.1972% (1.00 10.0 10.00 2.63 34.51) = 83.197% kept QB LYS+ 106 - HA ASP- 105 8.333% * 14.1336% (0.81 1.0 1.00 4.17 16.97) = 14.134% kept QB LYS+ 81 - HA ASP- 105 8.333% * 2.1888% (0.85 1.0 1.00 0.62 0.02) = 2.189% kept HG2 ARG+ 54 - HA ASP- 105 8.333% * 0.0829% (1.00 1.0 1.00 0.02 0.02) = 0.083% HB ILE 103 - HA ASP- 105 8.333% * 0.0821% (0.99 1.0 1.00 0.02 1.31) = 0.082% HG3 PRO 68 - HA ASP- 105 8.333% * 0.0808% (0.97 1.0 1.00 0.02 0.02) = 0.081% QB LYS+ 33 - HA ASP- 105 8.333% * 0.0808% (0.97 1.0 1.00 0.02 0.21) = 0.081% HB3 GLN 90 - HA ASP- 105 8.333% * 0.0768% (0.92 1.0 1.00 0.02 0.02) = 0.077% HB ILE 56 - HA ASP- 105 8.333% * 0.0262% (0.31 1.0 1.00 0.02 0.02) = 0.026% HG LEU 123 - HA ASP- 105 8.333% * 0.0177% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB3 PRO 52 - HA ASP- 105 8.333% * 0.0177% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 38 - HA ASP- 105 8.333% * 0.0153% (0.18 1.0 1.00 0.02 0.02) = 0.015% Peak 1751 (2.23, 1.86, 47.73 ppm): 6 chemical-shift based assignments, quality = 0.916, support = 2.86, residual support = 34.0: * O T HB2 ASP- 105 - HB3 ASP- 105 16.667% * 98.6097% (0.92 10.0 10.00 2.90 34.51) = 98.610% kept HB2 MET 96 - HB3 ASP- 105 16.667% * 1.0902% (0.49 1.0 1.00 0.42 0.02) = 1.090% kept HB3 ASP- 76 - HB3 ASP- 105 16.667% * 0.1065% (1.00 1.0 1.00 0.02 0.02) = 0.106% HG2 GLU- 100 - HB3 ASP- 105 16.667% * 0.1038% (0.97 1.0 1.00 0.02 0.02) = 0.104% HG3 MET 92 - HB3 ASP- 105 16.667% * 0.0520% (0.49 1.0 1.00 0.02 0.02) = 0.052% HB2 GLU- 29 - HB3 ASP- 105 16.667% * 0.0379% (0.35 1.0 1.00 0.02 0.02) = 0.038% Peak 1752 (1.86, 1.86, 47.73 ppm): 1 diagonal assignment: * HB3 ASP- 105 - HB3 ASP- 105 (1.00) kept Peak 1761 (1.56, 1.37, 25.37 ppm): 12 chemical-shift based assignments, quality = 0.829, support = 4.38, residual support = 102.8: * O HG2 LYS+ 106 - HG3 LYS+ 106 8.333% * 70.7528% (1.00 10.0 4.35 99.98) = 70.753% kept O HG2 LYS+ 33 - HG3 LYS+ 33 8.333% * 27.6823% (0.39 10.0 4.70 115.75) = 27.682% kept QG LYS+ 81 - HG3 LYS+ 106 8.333% * 1.3279% (0.99 1.0 0.38 0.02) = 1.328% kept HG2 LYS+ 33 - HG3 LYS+ 106 8.333% * 0.0480% (0.68 1.0 0.02 0.02) = 0.048% HG2 LYS+ 106 - HG3 LYS+ 33 8.333% * 0.0408% (0.58 1.0 0.02 0.02) = 0.041% QG LYS+ 81 - HG3 LYS+ 33 8.333% * 0.0403% (0.57 1.0 0.02 5.24) = 0.040% HG2 LYS+ 106 - HG3 LYS+ 65 8.333% * 0.0279% (0.39 1.0 0.02 0.02) = 0.028% QG LYS+ 81 - HG3 LYS+ 65 8.333% * 0.0275% (0.39 1.0 0.02 0.24) = 0.028% HG2 LYS+ 33 - HG3 LYS+ 65 8.333% * 0.0189% (0.27 1.0 0.02 1.01) = 0.019% HG2 LYS+ 106 - HG3 LYS+ 102 8.333% * 0.0126% (0.18 1.0 0.02 0.02) = 0.013% QG LYS+ 81 - HG3 LYS+ 102 8.333% * 0.0124% (0.18 1.0 0.02 0.02) = 0.012% HG2 LYS+ 33 - HG3 LYS+ 102 8.333% * 0.0085% (0.12 1.0 0.02 0.02) = 0.009% Peak 1762 (1.37, 1.37, 25.37 ppm): 4 diagonal assignments: * HG3 LYS+ 106 - HG3 LYS+ 106 (1.00) kept HG3 LYS+ 33 - HG3 LYS+ 33 (0.42) kept HG3 LYS+ 65 - HG3 LYS+ 65 (0.32) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.16) kept Peak 1770 (1.82, 1.82, 28.60 ppm): 1 diagonal assignment: * HG12 ILE 103 - HG12 ILE 103 (0.53) kept Peak 1771 (1.82, 1.16, 28.60 ppm): 9 chemical-shift based assignments, quality = 0.707, support = 4.49, residual support = 105.7: * O T HG12 ILE 103 - HG13 ILE 103 11.111% * 83.5702% (0.73 10.0 10.00 4.54 122.30) = 83.570% kept QB LYS+ 102 - HG13 ILE 103 11.111% * 15.9119% (0.63 1.0 1.00 4.38 21.70) = 15.912% kept QB LYS+ 66 - HG13 ILE 103 11.111% * 0.1147% (1.00 1.0 1.00 0.02 0.02) = 0.115% HB VAL 41 - HG13 ILE 103 11.111% * 0.1026% (0.89 1.0 1.00 0.02 0.02) = 0.103% HG2 PRO 93 - HG13 ILE 103 11.111% * 0.1026% (0.89 1.0 1.00 0.02 0.02) = 0.103% QB LYS+ 65 - HG13 ILE 103 11.111% * 0.0560% (0.49 1.0 1.00 0.02 0.02) = 0.056% HB2 LEU 71 - HG13 ILE 103 11.111% * 0.0507% (0.44 1.0 1.00 0.02 0.02) = 0.051% HG LEU 123 - HG13 ILE 103 11.111% * 0.0456% (0.40 1.0 1.00 0.02 0.02) = 0.046% HB3 PRO 52 - HG13 ILE 103 11.111% * 0.0456% (0.40 1.0 1.00 0.02 0.02) = 0.046% Peak 1773 (1.16, 1.16, 28.60 ppm): 1 diagonal assignment: * HG13 ILE 103 - HG13 ILE 103 (1.00) kept Peak 1786 (1.81, 1.81, 34.65 ppm): 2 diagonal assignments: * QB LYS+ 102 - QB LYS+ 102 (1.00) kept HB VAL 41 - HB VAL 41 (0.12) kept Peak 1825 (0.59, 0.59, 24.39 ppm): 1 diagonal assignment: * QD2 LEU 80 - QD2 LEU 80 (1.00) kept Peak 1828 (1.44, 1.44, 26.98 ppm): 4 diagonal assignments: * HG LEU 80 - HG LEU 80 (0.29) kept HG LEU 73 - HG LEU 73 (0.23) kept HG LEU 40 - HG LEU 40 (0.13) kept HG12 ILE 19 - HG12 ILE 19 (0.07) kept Peak 1835 (2.14, 2.14, 31.53 ppm): 2 diagonal assignments: * HB3 GLU- 79 - HB3 GLU- 79 (1.00) kept HB2 GLN 90 - HB2 GLN 90 (0.15) kept Peak 1858 (1.48, 1.41, 36.69 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 5.54, residual support = 156.3: * O HB2 LYS+ 74 - HB3 LYS+ 74 12.500% * 99.5735% (0.73 10.0 5.56 157.02) = 99.574% kept HB3 LEU 40 - HB3 LYS+ 74 12.500% * 0.1172% (0.85 1.0 0.02 0.02) = 0.117% QB ALA 120 - HB3 LYS+ 74 12.500% * 0.0798% (0.58 1.0 0.02 0.02) = 0.080% HG LEU 115 - HB3 LYS+ 74 12.500% * 0.0798% (0.58 1.0 0.02 0.02) = 0.080% QG2 THR 26 - HB3 LYS+ 74 12.500% * 0.0544% (0.40 1.0 0.02 0.02) = 0.054% HG2 LYS+ 65 - HB3 LYS+ 74 12.500% * 0.0432% (0.31 1.0 0.02 0.02) = 0.043% HD2 LYS+ 121 - HB3 LYS+ 74 12.500% * 0.0334% (0.24 1.0 0.02 0.15) = 0.033% HG LEU 67 - HB3 LYS+ 74 12.500% * 0.0186% (0.14 1.0 0.02 0.02) = 0.019% Peak 1859 (1.41, 1.41, 36.69 ppm): 1 diagonal assignment: * HB3 LYS+ 74 - HB3 LYS+ 74 (1.00) kept Peak 1861 (1.53, 1.53, 30.09 ppm): 1 diagonal assignment: * HD3 LYS+ 74 - HD3 LYS+ 74 (1.00) kept Peak 1884 (1.22, -0.08, 26.04 ppm): 7 chemical-shift based assignments, quality = 0.995, support = 4.95, residual support = 186.8: * O T HG12 ILE 89 - HG13 ILE 89 14.286% * 99.5158% (1.00 10.0 10.00 4.97 187.71) = 99.516% kept T HG3 LYS+ 99 - HG13 ILE 89 14.286% * 0.2767% (0.28 1.0 10.00 0.02 0.02) = 0.277% HG3 LYS+ 111 - HG13 ILE 89 14.286% * 0.0983% (0.99 1.0 1.00 0.02 0.61) = 0.098% HG LEU 71 - HG13 ILE 89 14.286% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% HG2 LYS+ 74 - HG13 ILE 89 14.286% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HB3 LEU 71 - HG13 ILE 89 14.286% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 112 - HG13 ILE 89 14.286% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1885 (-0.08, -0.08, 26.04 ppm): 1 diagonal assignment: * HG13 ILE 89 - HG13 ILE 89 (1.00) kept Peak 1887 (0.09, 0.09, 9.19 ppm): 1 diagonal assignment: * QD1 ILE 89 - QD1 ILE 89 (1.00) kept Peak 1902 (1.44, 1.44, 27.31 ppm): 4 diagonal assignments: * HG LEU 73 - HG LEU 73 (1.00) kept HG LEU 40 - HG LEU 40 (0.09) kept HG12 ILE 19 - HG12 ILE 19 (0.04) kept HG LEU 80 - HG LEU 80 (0.03) kept Peak 1909 (1.24, 1.24, 27.63 ppm): 2 diagonal assignments: * HG LEU 71 - HG LEU 71 (1.00) kept HG13 ILE 19 - HG13 ILE 19 (0.12) kept Peak 1923 (1.64, 1.64, 16.31 ppm): 1 diagonal assignment: * QB ALA 57 - QB ALA 57 (1.00) kept Peak 1924 (4.26, 1.64, 16.31 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 2.62, residual support = 14.8: * O T HA ALA 57 - QB ALA 57 16.667% * 99.7502% (1.00 10.0 10.00 2.63 14.85) = 99.750% kept HA1 GLY 51 - QB ALA 57 16.667% * 0.0813% (0.81 1.0 1.00 0.02 0.02) = 0.081% HA THR 39 - QB ALA 57 16.667% * 0.0677% (0.68 1.0 1.00 0.02 0.02) = 0.068% HA GLU- 79 - QB ALA 57 16.667% * 0.0581% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA SER 117 - QB ALA 57 16.667% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% HA ILE 103 - QB ALA 57 16.667% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 1926 (4.26, 4.26, 57.40 ppm): 1 diagonal assignment: * HA ALA 57 - HA ALA 57 (1.00) kept Peak 1933 (0.79, 0.79, 15.02 ppm): 1 diagonal assignment: * QD1 ILE 56 - QD1 ILE 56 (0.85) kept Peak 1940 (4.27, 4.27, 48.66 ppm): 1 diagonal assignment: * HA1 GLY 51 - HA1 GLY 51 (1.00) kept Peak 1941 (4.27, 3.94, 48.66 ppm): 9 chemical-shift based assignments, quality = 0.98, support = 2.75, residual support = 9.85: * O T HA1 GLY 51 - HA2 GLY 51 11.111% * 97.9678% (1.00 10.0 10.00 2.81 10.06) = 97.968% kept T HA THR 39 - HA2 GLY 51 11.111% * 0.9519% (0.97 1.0 10.00 0.02 0.02) = 0.952% T HA ILE 103 - HA2 GLY 51 11.111% * 0.4769% (0.49 1.0 10.00 0.02 0.02) = 0.477% T HA SER 85 - HA2 GLY 51 11.111% * 0.3474% (0.35 1.0 10.00 0.02 0.02) = 0.347% HA GLU- 79 - HA2 GLY 51 11.111% * 0.0904% (0.92 1.0 1.00 0.02 0.02) = 0.090% HA ALA 57 - HA2 GLY 51 11.111% * 0.0798% (0.81 1.0 1.00 0.02 0.02) = 0.080% HB THR 77 - HA2 GLY 51 11.111% * 0.0347% (0.35 1.0 1.00 0.02 0.02) = 0.035% HA ASP- 44 - HA2 GLY 51 11.111% * 0.0272% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA MET 11 - HA2 GLY 51 11.111% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1942 (3.94, 3.94, 48.66 ppm): 1 diagonal assignment: * HA2 GLY 51 - HA2 GLY 51 (1.00) kept Peak 1975 (0.76, 0.76, 22.78 ppm): 2 diagonal assignments: * QG1 VAL 41 - QG1 VAL 41 (1.00) kept QG2 VAL 18 - QG2 VAL 18 (0.46) kept Peak 1986 (2.86, 2.86, 38.12 ppm): 1 diagonal assignment: * HB3 ASN 35 - HB3 ASN 35 (1.00) kept Peak 2005 (2.11, 2.11, 32.16 ppm): 2 diagonal assignments: * HB VAL 24 - HB VAL 24 (1.00) kept HB2 PRO 68 - HB2 PRO 68 (0.45) kept Peak 2007 (1.07, 1.10, 23.10 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.67, residual support = 56.7: * O QG2 VAL 24 - QG1 VAL 24 33.333% * 99.8565% (1.00 10.0 2.68 56.79) = 99.857% kept HG LEU 63 - QG1 VAL 24 33.333% * 0.0949% (0.95 1.0 0.02 1.71) = 0.095% HG3 LYS+ 112 - QG1 VAL 24 33.333% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% Peak 2010 (4.81, 4.81, 72.92 ppm): 1 diagonal assignment: * HB THR 23 - HB THR 23 (1.00) kept Peak 2025 (0.69, 0.69, 16.64 ppm): 1 diagonal assignment: * QG2 ILE 19 - QG2 ILE 19 (1.00) kept Peak 2031 (3.96, 3.96, 45.84 ppm): 1 diagonal assignment: * HA2 GLY 16 - HA2 GLY 16 (1.00) kept Peak 2038 (1.46, 1.46, 26.98 ppm): 3 diagonal assignments: * HG LEU 40 - HG LEU 40 (1.00) kept HG LEU 115 - HG LEU 115 (0.23) kept HG LEU 73 - HG LEU 73 (0.09) kept Peak 2039 (0.98, 0.98, 24.07 ppm): 1 diagonal assignment: * QD2 LEU 40 - QD2 LEU 40 (1.00) kept Peak 2040 (0.98, 0.98, 27.63 ppm): 1 diagonal assignment: * QD1 LEU 67 - QD1 LEU 67 (1.00) kept Peak 2045 (1.35, 1.35, 27.95 ppm): 1 diagonal assignment: * HG LEU 98 - HG LEU 98 (1.00) kept Peak 2047 (4.99, 4.99, 52.22 ppm): 1 diagonal assignment: * HA LEU 67 - HA LEU 67 (1.00) kept Peak 2050 (0.91, 0.91, 26.66 ppm): 1 diagonal assignment: * QD1 LEU 40 - QD1 LEU 40 (1.00) kept Peak 2051 (1.98, 1.98, 42.52 ppm): 1 diagonal assignment: * HB2 LEU 67 - HB2 LEU 67 (0.40) kept Peak 2052 (1.43, 1.43, 42.52 ppm): 1 diagonal assignment: * HB3 LEU 67 - HB3 LEU 67 (0.85) kept Peak 2055 (1.46, 1.46, 26.01 ppm): 2 diagonal assignments: * HG LEU 67 - HG LEU 67 (1.00) kept QG LYS+ 66 - QG LYS+ 66 (0.01) kept Peak 2056 (0.92, 0.92, 24.07 ppm): 1 diagonal assignment: * QD2 LEU 67 - QD2 LEU 67 (1.00) kept Peak 2057 (3.84, 3.84, 51.93 ppm): 1 diagonal assignment: * HD3 PRO 52 - HD3 PRO 52 (1.00) kept Peak 2062 (3.33, 3.33, 50.60 ppm): 2 diagonal assignments: * HD3 PRO 68 - HD3 PRO 68 (1.00) kept HD3 PRO 93 - HD3 PRO 93 (0.18) kept Peak 2063 (3.75, 3.75, 50.60 ppm): 2 diagonal assignments: * HD2 PRO 68 - HD2 PRO 68 (1.00) kept HD3 PRO 58 - HD3 PRO 58 (0.01) kept Peak 2067 (3.72, 3.72, 50.93 ppm): 1 diagonal assignment: * HD3 PRO 58 - HD3 PRO 58 (0.85) kept Peak 2077 (1.98, 1.98, 28.60 ppm): 1 diagonal assignment: * HG3 PRO 58 - HG3 PRO 58 (1.00) kept Peak 2082 (1.36, 1.36, 34.10 ppm): 1 diagonal assignment: * HB3 PRO 93 - HB3 PRO 93 (1.00) kept Peak 2086 (1.68, 1.68, 24.81 ppm): 1 diagonal assignment: * HG3 PRO 93 - HG3 PRO 93 (1.00) kept Peak 2090 (1.98, 1.98, 27.31 ppm): 1 diagonal assignment: * HG2 PRO 68 - HG2 PRO 68 (0.34) kept Peak 2091 (1.86, 1.86, 27.31 ppm): 2 diagonal assignments: * HG3 PRO 68 - HG3 PRO 68 (1.00) kept HG2 ARG+ 54 - HG2 ARG+ 54 (0.26) kept Peak 2094 (2.02, 2.02, 31.99 ppm): 1 diagonal assignment: * HB3 PRO 68 - HB3 PRO 68 (1.00) kept Peak 2097 (2.12, 2.12, 38.95 ppm): 1 diagonal assignment: * HG3 GLU- 100 - HG3 GLU- 100 (1.00) kept Peak 2111 (1.95, 1.95, 30.44 ppm): 1 diagonal assignment: * HB3 ARG+ 54 - HB3 ARG+ 54 (1.00) kept Peak 2115 (3.25, 3.25, 43.59 ppm): 1 diagonal assignment: * HD3 ARG+ 54 - HD3 ARG+ 54 (1.00) kept Peak 2117 (1.86, 1.86, 27.63 ppm): 2 diagonal assignments: * HG2 ARG+ 54 - HG2 ARG+ 54 (1.00) kept HG3 PRO 68 - HG3 PRO 68 (0.26) kept Peak 2119 (1.60, 1.60, 27.63 ppm): 1 diagonal assignment: * HG3 ARG+ 54 - HG3 ARG+ 54 (1.00) kept Peak 2122 (2.15, 2.15, 30.04 ppm): 2 diagonal assignments: * QB GLU- 36 - QB GLU- 36 (1.00) kept HB3 GLU- 29 - HB3 GLU- 29 (0.24) kept Peak 2133 (2.73, 2.03, 33.78 ppm): 12 chemical-shift based assignments, quality = 0.995, support = 6.35, residual support = 130.3: * O T HG2 GLN 30 - HG3 GLN 30 8.333% * 96.4450% (1.00 10.0 10.00 6.56 135.03) = 96.445% kept HB3 ASN 28 - HG3 GLN 30 8.333% * 3.3904% (0.89 1.0 1.00 0.79 3.30) = 3.390% kept QE LYS+ 121 - HG3 GLN 30 8.333% * 0.0562% (0.58 1.0 1.00 0.02 3.83) = 0.056% T HG2 GLN 30 - HB2 PRO 93 8.333% * 0.0428% (0.04 1.0 10.00 0.02 0.02) = 0.043% HB3 HIS 122 - HG3 GLN 30 8.333% * 0.0205% (0.21 1.0 1.00 0.02 0.12) = 0.020% HG2 GLN 30 - HB2 LYS+ 111 8.333% * 0.0141% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB3 ASN 28 - HB2 LYS+ 111 8.333% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% QE LYS+ 121 - HB2 LYS+ 111 8.333% * 0.0082% (0.09 1.0 1.00 0.02 0.28) = 0.008% HB3 ASN 28 - HB2 PRO 93 8.333% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 HIS 122 - HB2 LYS+ 111 8.333% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% QE LYS+ 121 - HB2 PRO 93 8.333% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 HIS 122 - HB2 PRO 93 8.333% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2134 (2.03, 2.03, 33.78 ppm): 3 diagonal assignments: * HG3 GLN 30 - HG3 GLN 30 (1.00) kept HB2 LYS+ 111 - HB2 LYS+ 111 (0.05) kept HB2 PRO 93 - HB2 PRO 93 (0.01) kept Peak 2141 (2.92, 1.55, 25.23 ppm): 18 chemical-shift based assignments, quality = 0.958, support = 4.29, residual support = 105.4: * O QE LYS+ 33 - HG2 LYS+ 33 5.556% * 91.0648% (1.00 10.0 4.60 115.75) = 91.065% kept HB2 ASP- 78 - HG2 LYS+ 33 5.556% * 3.3842% (0.53 1.0 1.39 0.14) = 3.384% kept QE LYS+ 65 - HG2 LYS+ 33 5.556% * 2.9346% (0.85 1.0 0.75 1.01) = 2.935% kept HB2 ASP- 78 - QG LYS+ 81 5.556% * 1.7348% (0.24 1.0 1.61 0.38) = 1.735% kept HB2 ASN 28 - HG2 LYS+ 33 5.556% * 0.4594% (0.97 1.0 0.10 0.02) = 0.459% HB2 ASP- 86 - HG2 LYS+ 33 5.556% * 0.0530% (0.58 1.0 0.02 0.02) = 0.053% QE LYS+ 33 - HG2 LYS+ 106 5.556% * 0.0491% (0.54 1.0 0.02 0.02) = 0.049% HB2 ASN 28 - HG2 LYS+ 106 5.556% * 0.0477% (0.52 1.0 0.02 0.02) = 0.048% QE LYS+ 65 - HG2 LYS+ 106 5.556% * 0.0419% (0.46 1.0 0.02 0.02) = 0.042% QE LYS+ 33 - QG LYS+ 81 5.556% * 0.0403% (0.44 1.0 0.02 5.24) = 0.040% HB2 ASN 28 - QG LYS+ 81 5.556% * 0.0391% (0.43 1.0 0.02 0.02) = 0.039% QE LYS+ 65 - QG LYS+ 81 5.556% * 0.0344% (0.38 1.0 0.02 0.24) = 0.034% HB2 ASP- 86 - HG2 LYS+ 106 5.556% * 0.0286% (0.31 1.0 0.02 0.02) = 0.029% HB2 ASP- 78 - HG2 LYS+ 106 5.556% * 0.0262% (0.29 1.0 0.02 0.02) = 0.026% HB2 ASP- 86 - QG LYS+ 81 5.556% * 0.0235% (0.26 1.0 0.02 0.02) = 0.023% HB2 ASN 35 - HG2 LYS+ 33 5.556% * 0.0194% (0.21 1.0 0.02 1.15) = 0.019% HB2 ASN 35 - HG2 LYS+ 106 5.556% * 0.0104% (0.11 1.0 0.02 0.02) = 0.010% HB2 ASN 35 - QG LYS+ 81 5.556% * 0.0086% (0.09 1.0 0.02 0.02) = 0.009% Peak 2142 (1.55, 1.55, 25.23 ppm): 3 diagonal assignments: * HG2 LYS+ 33 - HG2 LYS+ 33 (1.00) kept HG2 LYS+ 106 - HG2 LYS+ 106 (0.37) kept QG LYS+ 81 - QG LYS+ 81 (0.34) kept Peak 2144 (1.55, 1.86, 32.27 ppm): 7 chemical-shift based assignments, quality = 0.926, support = 4.1, residual support = 81.8: * O T HG2 LYS+ 33 - QB LYS+ 33 14.286% * 69.3058% (1.00 10.0 10.00 5.43 115.75) = 69.306% kept T QG LYS+ 81 - QB LYS+ 33 14.286% * 30.1378% (0.77 1.0 10.00 1.13 5.24) = 30.138% kept T HG2 LYS+ 106 - QB LYS+ 33 14.286% * 0.4706% (0.68 1.0 10.00 0.02 0.02) = 0.471% HD3 LYS+ 74 - QB LYS+ 33 14.286% * 0.0275% (0.40 1.0 1.00 0.02 0.02) = 0.027% HB3 LYS+ 111 - QB LYS+ 33 14.286% * 0.0246% (0.35 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 121 - QB LYS+ 33 14.286% * 0.0169% (0.24 1.0 1.00 0.02 0.02) = 0.017% HG LEU 104 - QB LYS+ 33 14.286% * 0.0169% (0.24 1.0 1.00 0.02 0.02) = 0.017% Peak 2145 (3.02, 3.78, 58.04 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 4.4, residual support = 190.8: * QE LYS+ 38 - HA LYS+ 38 33.333% * 99.2188% (1.00 4.44 192.34) = 99.219% kept QE LYS+ 102 - HA LYS+ 38 33.333% * 0.3987% (0.89 0.02 0.59) = 0.399% QE LYS+ 99 - HA LYS+ 38 33.333% * 0.3825% (0.85 0.02 0.73) = 0.382% Peak 2154 (3.02, 3.02, 42.83 ppm): 3 diagonal assignments: * QE LYS+ 38 - QE LYS+ 38 (1.00) kept QE LYS+ 99 - QE LYS+ 99 (0.22) kept QE LYS+ 102 - QE LYS+ 102 (0.20) kept Peak 2160 (1.33, 1.33, 26.01 ppm): 2 diagonal assignments: * HG2 LYS+ 99 - HG2 LYS+ 99 (1.00) kept HG2 LYS+ 38 - HG2 LYS+ 38 (0.26) kept Peak 2162 (1.70, 1.70, 30.22 ppm): 2 diagonal assignments: * QD LYS+ 99 - QD LYS+ 99 (1.00) kept QD LYS+ 106 - QD LYS+ 106 (0.80) kept Peak 2172 (1.38, 1.38, 25.13 ppm): 4 diagonal assignments: * HG3 LYS+ 65 - HG3 LYS+ 65 (1.00) kept HG3 LYS+ 33 - HG3 LYS+ 33 (0.85) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.78) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.32) kept Peak 2173 (2.93, 1.38, 25.13 ppm): 24 chemical-shift based assignments, quality = 0.868, support = 3.35, residual support = 79.3: * O T QE LYS+ 65 - HG3 LYS+ 65 4.167% * 40.5595% (1.00 10.0 10.00 4.22 109.67) = 40.559% kept O T QE LYS+ 33 - HG3 LYS+ 33 4.167% * 29.8253% (0.74 10.0 10.00 4.71 115.75) = 29.825% kept T QE LYS+ 33 - HG3 LYS+ 65 4.167% * 14.3761% (0.85 1.0 10.00 0.83 1.01) = 14.376% kept T QE LYS+ 65 - HG3 LYS+ 33 4.167% * 14.0163% (0.86 1.0 10.00 0.80 1.01) = 14.016% kept T QE LYS+ 65 - HG3 LYS+ 102 4.167% * 0.3272% (0.81 1.0 10.00 0.02 0.02) = 0.327% T QE LYS+ 33 - HG3 LYS+ 102 4.167% * 0.2797% (0.69 1.0 10.00 0.02 0.02) = 0.280% T QE LYS+ 65 - HG3 LYS+ 106 4.167% * 0.1599% (0.39 1.0 10.00 0.02 0.02) = 0.160% T QE LYS+ 33 - HG3 LYS+ 106 4.167% * 0.1367% (0.34 1.0 10.00 0.02 0.02) = 0.137% HB2 ASN 28 - HG3 LYS+ 65 4.167% * 0.0385% (0.95 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 86 - HG3 LYS+ 65 4.167% * 0.0361% (0.89 1.0 1.00 0.02 0.02) = 0.036% HB2 ASN 28 - HG3 LYS+ 33 4.167% * 0.0331% (0.82 1.0 1.00 0.02 0.02) = 0.033% HB2 ASP- 86 - HG3 LYS+ 33 4.167% * 0.0311% (0.77 1.0 1.00 0.02 0.02) = 0.031% HB2 ASN 28 - HG3 LYS+ 102 4.167% * 0.0311% (0.77 1.0 1.00 0.02 0.02) = 0.031% HB2 ASP- 86 - HG3 LYS+ 102 4.167% * 0.0292% (0.72 1.0 1.00 0.02 0.02) = 0.029% HB2 ASN 35 - HG3 LYS+ 65 4.167% * 0.0197% (0.49 1.0 1.00 0.02 0.02) = 0.020% HB2 ASN 35 - HG3 LYS+ 33 4.167% * 0.0170% (0.42 1.0 1.00 0.02 1.15) = 0.017% HB2 ASN 35 - HG3 LYS+ 102 4.167% * 0.0159% (0.39 1.0 1.00 0.02 0.11) = 0.016% HB2 ASN 28 - HG3 LYS+ 106 4.167% * 0.0152% (0.37 1.0 1.00 0.02 0.02) = 0.015% HB2 ASP- 86 - HG3 LYS+ 106 4.167% * 0.0143% (0.35 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 78 - HG3 LYS+ 65 4.167% * 0.0099% (0.24 1.0 1.00 0.02 0.02) = 0.010% HB2 ASP- 78 - HG3 LYS+ 33 4.167% * 0.0085% (0.21 1.0 1.00 0.02 0.14) = 0.009% HB2 ASP- 78 - HG3 LYS+ 102 4.167% * 0.0080% (0.20 1.0 1.00 0.02 0.02) = 0.008% HB2 ASN 35 - HG3 LYS+ 106 4.167% * 0.0078% (0.19 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 78 - HG3 LYS+ 106 4.167% * 0.0039% (0.10 1.0 1.00 0.02 0.02) = 0.004% Peak 2177 (2.16, 2.16, 36.74 ppm): 1 diagonal assignment: * HG3 GLU- 29 - HG3 GLU- 29 (1.00) kept Peak 2178 (2.25, 2.16, 36.74 ppm): 10 chemical-shift based assignments, quality = 0.993, support = 2.59, residual support = 68.9: * O T HB2 GLU- 29 - HG3 GLU- 29 10.000% * 99.3468% (1.00 10.0 10.00 2.60 69.32) = 99.347% kept T QG GLN 90 - HG3 GLU- 29 10.000% * 0.3129% (0.31 1.0 10.00 0.02 0.02) = 0.313% HG3 MET 92 - HG3 GLU- 29 10.000% * 0.0965% (0.97 1.0 1.00 0.02 0.02) = 0.097% HG12 ILE 119 - HG3 GLU- 29 10.000% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 ASP- 105 - HG3 GLU- 29 10.000% * 0.0578% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HG3 GLU- 29 10.000% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG2 GLU- 100 - HG3 GLU- 29 10.000% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 72 - HG3 GLU- 29 10.000% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG GLU- 14 - HG3 GLU- 29 10.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 44 - HG3 GLU- 29 10.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 2179 (2.43, 2.16, 36.74 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.45, residual support = 69.1: * O T HG2 GLU- 29 - HG3 GLU- 29 16.667% * 99.7367% (1.00 10.0 10.00 3.46 69.32) = 99.737% kept HB3 ASP- 86 - HG3 GLU- 29 16.667% * 0.0948% (0.95 1.0 1.00 0.02 0.18) = 0.095% QE LYS+ 112 - HG3 GLU- 29 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 PHE 45 - HG3 GLU- 29 16.667% * 0.0533% (0.53 1.0 1.00 0.02 0.02) = 0.053% HB3 ASP- 62 - HG3 GLU- 29 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB VAL 107 - HG3 GLU- 29 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 2192 (2.21, 1.79, 31.50 ppm): 7 chemical-shift based assignments, quality = 0.717, support = 3.11, residual support = 45.5: * O T QG GLN 17 - HB3 GLN 17 14.286% * 65.6711% (0.68 10.0 10.00 4.31 68.89) = 65.671% kept T HB VAL 70 - HB3 GLN 17 14.286% * 30.8669% (0.77 1.0 10.00 0.83 0.83) = 30.867% kept HB2 MET 96 - HB3 GLN 17 14.286% * 3.2955% (0.99 1.0 1.00 0.69 0.02) = 3.296% kept HG2 GLU- 100 - HB3 GLN 17 14.286% * 0.0517% (0.53 1.0 1.00 0.02 0.02) = 0.052% HB2 GLU- 25 - HB3 GLN 17 14.286% * 0.0517% (0.53 1.0 1.00 0.02 0.02) = 0.052% HB3 ASP- 76 - HB3 GLN 17 14.286% * 0.0426% (0.44 1.0 1.00 0.02 0.02) = 0.043% HB2 ASP- 105 - HB3 GLN 17 14.286% * 0.0206% (0.21 1.0 1.00 0.02 0.02) = 0.021% Peak 2193 (1.79, 1.79, 31.50 ppm): 1 diagonal assignment: * HB3 GLN 17 - HB3 GLN 17 (1.00) kept Peak 2195 (4.42, 1.79, 31.50 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 3.98, residual support = 68.6: * O T HA GLN 17 - HB3 GLN 17 12.500% * 99.6020% (1.00 10.0 10.00 4.00 68.89) = 99.602% kept HA SER 37 - HB3 GLN 17 12.500% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA THR 46 - HB3 GLN 17 12.500% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% HA VAL 42 - HB3 GLN 17 12.500% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 15 - HB3 GLN 17 12.500% * 0.0439% (0.44 1.0 1.00 0.02 0.15) = 0.044% HA SER 13 - HB3 GLN 17 12.500% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HA PRO 58 - HB3 GLN 17 12.500% * 0.0395% (0.40 1.0 1.00 0.02 0.02) = 0.040% HA LEU 40 - HB3 GLN 17 12.500% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 2196 (2.01, 1.79, 31.50 ppm): 9 chemical-shift based assignments, quality = 0.988, support = 3.91, residual support = 63.4: * O T HB2 GLN 17 - HB3 GLN 17 11.111% * 92.0199% (1.00 10.0 10.00 4.24 68.89) = 92.020% kept T QB GLU- 15 - HB3 GLN 17 11.111% * 6.7579% (1.00 1.0 10.00 0.15 0.15) = 6.758% kept T HB3 PRO 68 - HB3 GLN 17 11.111% * 0.6682% (0.73 1.0 10.00 0.02 0.02) = 0.668% T HG3 GLN 30 - HB3 GLN 17 11.111% * 0.2558% (0.28 1.0 10.00 0.02 0.02) = 0.256% HB2 LYS+ 111 - HB3 GLN 17 11.111% * 0.0908% (0.99 1.0 1.00 0.02 0.02) = 0.091% HB3 GLU- 25 - HB3 GLN 17 11.111% * 0.0849% (0.92 1.0 1.00 0.02 0.02) = 0.085% QB GLU- 114 - HB3 GLN 17 11.111% * 0.0491% (0.53 1.0 1.00 0.02 0.02) = 0.049% HB ILE 19 - HB3 GLN 17 11.111% * 0.0406% (0.44 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 68 - HB3 GLN 17 11.111% * 0.0326% (0.35 1.0 1.00 0.02 0.02) = 0.033% Peak 2202 (1.92, 1.92, 30.50 ppm): 2 diagonal assignments: * HB3 GLU- 14 - HB3 GLU- 14 (1.00) kept HG3 MET 11 - HG3 MET 11 (0.32) kept Peak 2204 (1.92, 4.31, 56.62 ppm): 10 chemical-shift based assignments, quality = 0.828, support = 3.04, residual support = 36.2: * O T HB3 GLU- 14 - HA GLU- 14 10.000% * 77.4512% (1.00 10.0 10.00 2.96 36.78) = 77.451% kept O T HG3 MET 11 - HA MET 11 10.000% * 18.9753% (0.24 10.0 10.00 3.89 40.44) = 18.975% kept T HB3 GLU- 14 - HA MET 11 10.000% * 2.7284% (0.27 1.0 10.00 0.27 0.12) = 2.728% kept T HG3 MET 11 - HA GLU- 14 10.000% * 0.7150% (0.92 1.0 10.00 0.02 0.12) = 0.715% HB3 MET 96 - HA GLU- 14 10.000% * 0.0631% (0.81 1.0 1.00 0.02 0.02) = 0.063% HB2 LEU 40 - HA GLU- 14 10.000% * 0.0275% (0.35 1.0 1.00 0.02 0.02) = 0.027% HB3 MET 96 - HA MET 11 10.000% * 0.0167% (0.22 1.0 1.00 0.02 0.02) = 0.017% HB3 PRO 58 - HA GLU- 14 10.000% * 0.0123% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 40 - HA MET 11 10.000% * 0.0073% (0.09 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 58 - HA MET 11 10.000% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 2207 (2.01, 2.01, 31.54 ppm): 2 diagonal assignments: * QB GLU- 15 - QB GLU- 15 (0.99) kept HB2 GLN 17 - HB2 GLN 17 (0.98) kept Peak 2213 (4.91, 4.91, 52.55 ppm): 1 diagonal assignment: * HA MET 92 - HA MET 92 (1.00) kept Peak 2215 (1.89, 1.89, 34.43 ppm): 1 diagonal assignment: * HB2 MET 92 - HB2 MET 92 (1.00) kept Peak 2216 (1.69, 1.69, 34.43 ppm): 1 diagonal assignment: * HB3 MET 92 - HB3 MET 92 (1.00) kept Peak 2219 (1.89, 4.91, 52.55 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 3.95, residual support = 50.3: * O T HB2 MET 92 - HA MET 92 12.500% * 99.6334% (1.00 10.0 10.00 3.97 50.51) = 99.633% kept HB3 GLN 30 - HA MET 92 12.500% * 0.0947% (0.95 1.0 1.00 0.02 0.02) = 0.095% HB3 PRO 58 - HA MET 92 12.500% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 LYS+ 38 - HA MET 92 12.500% * 0.0769% (0.77 1.0 1.00 0.02 0.02) = 0.077% HB ILE 56 - HA MET 92 12.500% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HG3 MET 11 - HA MET 92 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB LYS+ 106 - HA MET 92 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB LYS+ 81 - HA MET 92 12.500% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 2220 (1.69, 4.91, 52.55 ppm): 8 chemical-shift based assignments, quality = 0.959, support = 4.12, residual support = 44.7: * O T HB3 MET 92 - HA MET 92 12.500% * 88.2140% (1.00 10.0 10.00 4.18 50.51) = 88.214% kept HG3 PRO 93 - HA MET 92 12.500% * 11.3814% (0.68 1.0 1.00 3.80 1.69) = 11.381% kept HD2 LYS+ 111 - HA MET 92 12.500% * 0.0857% (0.97 1.0 1.00 0.02 0.02) = 0.086% HB2 LEU 73 - HA MET 92 12.500% * 0.0838% (0.95 1.0 1.00 0.02 0.02) = 0.084% QD LYS+ 106 - HA MET 92 12.500% * 0.0681% (0.77 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 123 - HA MET 92 12.500% * 0.0641% (0.73 1.0 1.00 0.02 0.02) = 0.064% QD LYS+ 99 - HA MET 92 12.500% * 0.0641% (0.73 1.0 1.00 0.02 0.02) = 0.064% QD LYS+ 102 - HA MET 92 12.500% * 0.0389% (0.44 1.0 1.00 0.02 0.02) = 0.039% Peak 2221 (2.31, 2.31, 33.13 ppm): 1 diagonal assignment: * HG2 MET 92 - HG2 MET 92 (1.00) kept Peak 2222 (2.24, 2.24, 33.13 ppm): 1 diagonal assignment: * HG3 MET 92 - HG3 MET 92 (1.00) kept Peak 2223 (2.31, 4.91, 52.55 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 2.24, residual support = 50.3: * O T HG2 MET 92 - HA MET 92 14.286% * 99.5986% (1.00 10.0 10.00 2.25 50.51) = 99.599% kept HG3 GLU- 36 - HA MET 92 14.286% * 0.0996% (1.00 1.0 1.00 0.02 0.02) = 0.100% QG GLU- 114 - HA MET 92 14.286% * 0.0983% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HA MET 92 14.286% * 0.0946% (0.95 1.0 1.00 0.02 0.02) = 0.095% HG2 PRO 52 - HA MET 92 14.286% * 0.0532% (0.53 1.0 1.00 0.02 0.02) = 0.053% HG3 GLU- 25 - HA MET 92 14.286% * 0.0314% (0.31 1.0 1.00 0.02 0.02) = 0.031% QB MET 11 - HA MET 92 14.286% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 2224 (2.24, 4.91, 52.55 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 3.94, residual support = 50.3: * O T HG3 MET 92 - HA MET 92 12.500% * 99.6566% (1.00 10.0 10.00 3.96 50.51) = 99.657% kept HB2 GLU- 29 - HA MET 92 12.500% * 0.0968% (0.97 1.0 1.00 0.02 0.02) = 0.097% HB2 ASP- 105 - HA MET 92 12.500% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG12 ILE 119 - HA MET 92 12.500% * 0.0580% (0.58 1.0 1.00 0.02 0.02) = 0.058% HB3 ASP- 76 - HA MET 92 12.500% * 0.0439% (0.44 1.0 1.00 0.02 0.02) = 0.044% HG2 GLU- 100 - HA MET 92 12.500% * 0.0353% (0.35 1.0 1.00 0.02 0.02) = 0.035% QG GLN 90 - HA MET 92 12.500% * 0.0212% (0.21 1.0 1.00 0.02 0.17) = 0.021% HB3 PHE 72 - HA MET 92 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 2226 (4.14, 4.14, 45.70 ppm): 1 diagonal assignment: * HA1 GLY 101 - HA1 GLY 101 (1.00) kept Peak 2228 (2.04, 1.87, 37.27 ppm): 8 chemical-shift based assignments, quality = 0.95, support = 0.719, residual support = 0.698: T HB2 GLN 30 - QB LYS+ 106 12.500% * 52.8635% (1.00 10.00 0.27 0.02) = 52.864% kept HB VAL 108 - QB LYS+ 106 12.500% * 28.9601% (0.89 1.00 1.66 2.22) = 28.960% kept HB ILE 119 - QB LYS+ 106 12.500% * 12.6270% (1.00 1.00 0.65 0.35) = 12.627% kept HG3 GLN 30 - QB LYS+ 106 12.500% * 4.5337% (0.81 1.00 0.28 0.02) = 4.534% kept HB3 GLU- 100 - QB LYS+ 106 12.500% * 0.3861% (0.99 1.00 0.02 0.02) = 0.386% HB2 ARG+ 54 - QB LYS+ 106 12.500% * 0.3186% (0.81 1.00 0.02 0.02) = 0.319% HB2 PRO 93 - QB LYS+ 106 12.500% * 0.1724% (0.44 1.00 0.02 0.02) = 0.172% HB3 PRO 68 - QB LYS+ 106 12.500% * 0.1387% (0.35 1.00 0.02 0.02) = 0.139% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2229 (9.12, 3.71, 61.73 ppm): 3 chemical-shift based assignments, quality = 0.665, support = 3.56, residual support = 16.6: O HN ASP- 76 - HA VAL 75 33.333% * 96.9257% (0.68 10.0 3.62 17.04) = 96.926% kept HN VAL 108 - HA VAL 75 33.333% * 3.0237% (0.24 1.0 1.74 1.92) = 3.024% kept HN HIS 22 - HA VAL 75 33.333% * 0.0506% (0.35 1.0 0.02 0.02) = 0.051% Peak 2230 (8.53, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.863, support = 4.44, residual support = 63.3: O HN VAL 75 - HA VAL 75 50.000% * 87.7670% (0.85 10.0 4.69 71.74) = 87.767% kept HN ASP- 78 - HA VAL 75 50.000% * 12.2330% (0.92 1.0 2.58 2.64) = 12.233% kept Peak 2231 (4.88, 1.00, 35.37 ppm): 3 chemical-shift based assignments, quality = 0.68, support = 0.34, residual support = 4.96: HA PHE 45 - HB VAL 75 33.333% * 39.3295% (0.31 0.61 11.58) = 39.329% kept HA HIS 122 - HB VAL 75 33.333% * 34.8417% (0.89 0.19 1.16) = 34.842% kept HA VAL 41 - HB VAL 75 33.333% * 25.8288% (0.95 0.13 0.02) = 25.829% kept Peak 2232 (6.85, 1.00, 35.37 ppm): 3 chemical-shift based assignments, quality = 0.733, support = 1.4, residual support = 8.05: QD PHE 45 - HB VAL 75 33.333% * 66.1965% (0.81 1.56 11.58) = 66.196% kept HD2 HIS 122 - HB VAL 75 33.333% * 33.2488% (0.58 1.10 1.16) = 33.249% kept HE22 GLN 116 - HB VAL 75 33.333% * 0.5548% (0.53 0.02 0.02) = 0.555% Peak 2233 (6.72, 1.00, 35.37 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.41, residual support = 8.06: T HZ PHE 72 - HB VAL 75 100.000% *100.0000% (0.73 10.00 2.41 8.06) = 100.000% kept Peak 2234 (8.54, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.964, support = 3.98, residual support = 68.2: O HN VAL 75 - HB VAL 75 50.000% * 94.9431% (0.99 10.0 4.09 71.74) = 94.943% kept HN ASP- 78 - HB VAL 75 50.000% * 5.0569% (0.53 1.0 1.97 2.64) = 5.057% kept Peak 2235 (6.71, 0.44, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.365, support = 2.24, residual support = 10.4: T QE PHE 45 - QG1 VAL 75 33.333% * 66.5214% (0.21 10.00 2.47 11.58) = 66.521% kept HZ PHE 72 - QG1 VAL 75 33.333% * 19.7323% (0.85 1.00 1.47 8.06) = 19.732% kept QD PHE 72 - QG1 VAL 75 33.333% * 13.7463% (0.40 1.00 2.21 8.06) = 13.746% kept Peak 2236 (6.86, 0.44, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.874, support = 2.26, residual support = 9.91: QD PHE 45 - QG1 VAL 75 33.333% * 84.5559% (1.00 2.45 11.58) = 84.556% kept HD2 HIS 122 - QG1 VAL 75 33.333% * 10.4845% (0.21 1.42 1.16) = 10.485% kept HE22 GLN 116 - QG1 VAL 75 33.333% * 4.9596% (0.18 0.78 0.02) = 4.960% kept Peak 2237 (8.53, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.885, support = 4.05, residual support = 41.1: HN VAL 75 - QG1 VAL 75 50.000% * 55.6280% (0.85 4.58 71.74) = 55.628% kept HN ASP- 78 - QG1 VAL 75 50.000% * 44.3720% (0.92 3.39 2.64) = 44.372% kept Peak 2238 (9.12, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.472, support = 2.86, residual support = 8.71: HN VAL 108 - QG1 VAL 75 50.000% * 55.0766% (0.63 2.07 1.92) = 55.077% kept HN ASP- 76 - QG1 VAL 75 50.000% * 44.9234% (0.28 3.83 17.04) = 44.923% kept Peak 2239 (3.09, 0.13, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 0.75, residual support = 1.53: HB2 CYS 21 - QG2 VAL 75 100.000% *100.0000% (0.68 0.75 1.53) = 100.000% kept Peak 2240 (6.37, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.545, support = 0.821, residual support = 8.11: HZ PHE 45 - QG2 VAL 75 50.000% * 63.1811% (0.68 0.75 11.58) = 63.181% kept HZ3 TRP 27 - QG2 VAL 75 50.000% * 36.8189% (0.31 0.94 2.17) = 36.819% kept Peak 2241 (6.69, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.967, support = 1.85, residual support = 10.3: QE PHE 45 - QG2 VAL 75 50.000% * 63.1194% (0.95 2.21 11.58) = 63.119% kept QD PHE 72 - QG2 VAL 75 50.000% * 36.8806% (1.00 1.23 8.06) = 36.881% kept Peak 2242 (7.33, 0.13, 21.81 ppm): 6 chemical-shift based assignments, quality = 0.786, support = 0.863, residual support = 1.51: HE3 TRP 27 - QG2 VAL 75 16.667% * 67.7638% (0.73 1.13 2.17) = 67.764% kept HN THR 23 - QG2 VAL 75 16.667% * 28.0813% (0.95 0.36 0.15) = 28.081% kept QE PHE 95 - QG2 VAL 75 16.667% * 1.6119% (0.97 0.02 0.02) = 1.612% kept QD PHE 55 - QG2 VAL 75 16.667% * 1.3517% (0.81 0.02 0.02) = 1.352% kept HN LEU 67 - QG2 VAL 75 16.667% * 0.8860% (0.53 0.02 0.02) = 0.886% HD1 TRP 49 - QG2 VAL 75 16.667% * 0.3053% (0.18 0.02 0.02) = 0.305% Peak 2243 (8.53, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.876, support = 3.66, residual support = 50.4: HN VAL 75 - QG2 VAL 75 50.000% * 69.1258% (0.85 4.47 71.74) = 69.126% kept HN ASP- 78 - QG2 VAL 75 50.000% * 30.8742% (0.92 1.85 2.64) = 30.874% kept Peak 2244 (9.15, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.533, support = 0.97, residual support = 1.89: HN VAL 108 - QG2 VAL 75 50.000% * 98.1870% (0.53 0.99 1.92) = 98.187% kept HN VAL 43 - QG2 VAL 75 50.000% * 1.8130% (0.49 0.02 0.02) = 1.813% kept Peak 2245 (9.13, 2.24, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.774, support = 0.39, residual support = 0.519: HN VAL 108 - HB3 ASP- 76 100.000% *100.0000% (0.77 0.39 0.52) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2246 (9.12, 2.90, 42.19 ppm): 2 chemical-shift based assignments, quality = 0.318, support = 3.24, residual support = 20.8: O HN ASP- 76 - HB2 ASP- 76 50.000% * 88.5463% (0.28 10.0 3.51 23.40) = 88.546% kept HN VAL 108 - HB2 ASP- 76 50.000% * 11.4537% (0.63 1.0 1.14 0.52) = 11.454% kept Peak 2247 (8.10, 3.58, 65.17 ppm): 4 chemical-shift based assignments, quality = 0.43, support = 0.455, residual support = 0.172: HN THR 26 - HA THR 77 25.000% * 58.0620% (0.53 0.54 0.14) = 58.062% kept HN LEU 80 - HA THR 77 25.000% * 22.3651% (0.24 0.46 0.36) = 22.365% kept HN CYS 53 - HA THR 77 25.000% * 10.5642% (0.49 0.11 0.02) = 10.564% kept HN ALA 34 - HA THR 77 25.000% * 9.0086% (0.16 0.28 0.10) = 9.009% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2248 (8.54, 3.58, 65.17 ppm): 2 chemical-shift based assignments, quality = 0.575, support = 3.75, residual support = 18.9: O HN ASP- 78 - HA THR 77 50.000% * 90.8652% (0.53 10.0 4.02 20.68) = 90.865% kept HN VAL 75 - HA THR 77 50.000% * 9.1348% (0.99 1.0 1.09 0.91) = 9.135% kept Peak 2249 (9.29, 3.58, 65.17 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 3.99, residual support = 31.7: O HN THR 77 - HA THR 77 100.000% *100.0000% (0.40 10.0 3.99 31.72) = 100.000% kept Peak 2250 (6.87, 1.30, 23.34 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.05, residual support = 4.71: T QD PHE 45 - QG2 THR 77 100.000% *100.0000% (0.73 10.00 2.05 4.71) = 100.000% kept Peak 2251 (8.47, 1.30, 23.34 ppm): 5 chemical-shift based assignments, quality = 0.794, support = 2.41, residual support = 5.44: HN THR 46 - QG2 THR 77 20.000% * 97.4997% (0.81 2.47 5.58) = 97.500% kept HN LYS+ 74 - QG2 THR 77 20.000% * 0.9411% (0.97 0.02 0.02) = 0.941% HN MET 11 - QG2 THR 77 20.000% * 0.6110% (0.63 0.02 0.02) = 0.611% HN MET 92 - QG2 THR 77 20.000% * 0.5640% (0.58 0.02 0.02) = 0.564% HN LYS+ 112 - QG2 THR 77 20.000% * 0.3842% (0.40 0.02 0.12) = 0.384% Peak 2252 (9.28, 1.30, 23.34 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 3.63, residual support = 31.7: HN THR 77 - QG2 THR 77 100.000% *100.0000% (0.81 3.63 31.72) = 100.000% kept Peak 2253 (4.64, 1.48, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.508, support = 1.37, residual support = 3.03: HA ALA 20 - HB2 LYS+ 74 50.000% * 57.2286% (0.49 1.57 3.80) = 57.229% kept HA LEU 71 - HB2 LYS+ 74 50.000% * 42.7714% (0.53 1.10 1.99) = 42.771% kept Peak 2254 (4.64, 1.41, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.708, support = 1.59, residual support = 2.69: HA LEU 71 - HB3 LYS+ 74 50.000% * 61.1062% (0.73 1.82 1.99) = 61.106% kept HA ALA 20 - HB3 LYS+ 74 50.000% * 38.8938% (0.68 1.24 3.80) = 38.894% kept Peak 2255 (4.94, 1.41, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 6.03, residual support = 156.9: O HA LYS+ 74 - HB3 LYS+ 74 50.000% * 99.9330% (0.73 10.0 6.04 157.02) = 99.933% kept HA THR 94 - HB3 LYS+ 74 50.000% * 0.0670% (0.49 1.0 0.02 0.02) = 0.067% Peak 2256 (5.05, 2.06, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.354, support = 5.91, residual support = 125.5: O T HA PRO 93 - HB2 PRO 93 50.000% * 99.9557% (0.35 10.0 10.00 5.91 125.53) = 99.956% kept T HA PRO 93 - HG3 GLN 30 50.000% * 0.0443% (0.02 1.0 10.00 0.02 0.02) = 0.044% Peak 2257 (1.71, 1.36, 34.10 ppm): 8 chemical-shift based assignments, quality = 0.543, support = 0.82, residual support = 0.629: HB3 MET 92 - HB3 PRO 93 12.500% * 36.5099% (0.28 1.00 1.79 1.69) = 36.510% kept QG1 ILE 56 - HB3 PRO 93 12.500% * 18.4409% (0.85 1.00 0.29 0.02) = 18.441% kept HB3 LYS+ 99 - HB3 PRO 93 12.500% * 17.2530% (0.73 1.00 0.32 0.02) = 17.253% kept QD LYS+ 99 - HB3 PRO 93 12.500% * 17.2530% (0.73 1.00 0.32 0.02) = 17.253% kept T HB2 LEU 73 - HB3 PRO 93 12.500% * 6.4809% (0.44 10.00 0.02 0.02) = 6.481% kept T HD2 LYS+ 111 - HB3 PRO 93 12.500% * 2.7054% (0.18 10.00 0.02 0.02) = 2.705% kept QD LYS+ 106 - HB3 PRO 93 12.500% * 0.9983% (0.68 1.00 0.02 0.02) = 0.998% HB ILE 89 - HB3 PRO 93 12.500% * 0.3585% (0.24 1.00 0.02 0.02) = 0.359% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2258 (2.07, 1.36, 34.10 ppm): 7 chemical-shift based assignments, quality = 0.723, support = 5.85, residual support = 125.0: O HB2 PRO 93 - HB3 PRO 93 14.286% * 99.5609% (0.73 10.0 5.87 125.53) = 99.561% kept HG2 MET 11 - HB3 PRO 93 14.286% * 0.0996% (0.73 1.0 0.02 0.02) = 0.100% HB2 GLU- 14 - HB3 PRO 93 14.286% * 0.0931% (0.68 1.0 0.02 0.02) = 0.093% HG2 PRO 58 - HB3 PRO 93 14.286% * 0.0798% (0.58 1.0 0.02 0.02) = 0.080% HG3 PRO 52 - HB3 PRO 93 14.286% * 0.0798% (0.58 1.0 0.02 0.02) = 0.080% HB2 ARG+ 54 - HB3 PRO 93 14.286% * 0.0486% (0.35 1.0 0.02 0.02) = 0.049% HB VAL 108 - HB3 PRO 93 14.286% * 0.0381% (0.28 1.0 0.02 0.02) = 0.038% Peak 2259 (5.06, 1.36, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 5.12, residual support = 125.5: O HA PRO 93 - HB3 PRO 93 100.000% *100.0000% (0.89 10.0 5.12 125.53) = 100.000% kept Peak 2260 (6.87, 1.36, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 1.88, residual support = 5.76: QD PHE 45 - HB3 PRO 93 100.000% *100.0000% (0.68 1.88 5.76) = 100.000% kept Peak 2263 (0.74, 2.73, 33.78 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 0.929, residual support = 1.24: QD1 ILE 19 - HG2 GLN 30 16.667% * 47.5637% (0.92 0.97 1.20) = 47.564% kept QD2 LEU 104 - HG2 GLN 30 16.667% * 43.1113% (0.77 1.05 1.54) = 43.111% kept QG2 VAL 18 - HG2 GLN 30 16.667% * 7.3255% (0.85 0.16 0.02) = 7.325% kept QG2 THR 46 - HG2 GLN 30 16.667% * 1.0067% (0.95 0.02 0.02) = 1.007% kept QG1 VAL 43 - HG2 GLN 30 16.667% * 0.6170% (0.58 0.02 0.02) = 0.617% QG1 VAL 41 - HG2 GLN 30 16.667% * 0.3757% (0.35 0.02 0.02) = 0.376% Peak 2264 (1.52, 2.73, 33.78 ppm): 9 chemical-shift based assignments, quality = 0.633, support = 1.02, residual support = 3.56: T HD2 LYS+ 121 - HG2 GLN 30 11.111% * 55.6115% (0.68 10.00 1.37 3.83) = 55.611% kept T HB3 LYS+ 121 - HG2 GLN 30 11.111% * 21.5542% (0.63 10.00 0.57 3.83) = 21.554% kept T QG2 THR 26 - HG2 GLN 30 11.111% * 19.2643% (0.49 10.00 0.66 2.95) = 19.264% kept HG LEU 104 - HG2 GLN 30 11.111% * 2.1711% (0.63 1.00 0.58 1.54) = 2.171% kept T QD LYS+ 66 - HG2 GLN 30 11.111% * 1.1928% (1.00 10.00 0.02 0.02) = 1.193% kept HG2 LYS+ 65 - HG2 GLN 30 11.111% * 0.0697% (0.58 1.00 0.02 0.02) = 0.070% HB3 LYS+ 111 - HG2 GLN 30 11.111% * 0.0582% (0.49 1.00 0.02 0.02) = 0.058% HD3 LYS+ 74 - HG2 GLN 30 11.111% * 0.0527% (0.44 1.00 0.02 0.02) = 0.053% HB2 LYS+ 74 - HG2 GLN 30 11.111% * 0.0254% (0.21 1.00 0.02 0.02) = 0.025% Peak 2265 (0.36, 1.19, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.921, support = 6.82, residual support = 198.8: O T HG2 LYS+ 112 - HB3 LYS+ 112 33.333% * 99.8049% (0.92 10.0 10.00 6.83 199.22) = 99.805% kept QG1 VAL 42 - HB3 LYS+ 112 33.333% * 0.1027% (0.95 1.0 1.00 0.02 0.02) = 0.103% QB ALA 47 - HB3 LYS+ 112 33.333% * 0.0924% (0.85 1.0 1.00 0.02 0.02) = 0.092% Peak 2266 (3.47, 1.19, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.63, support = 6.4, residual support = 199.0: O T HA LYS+ 112 - HB3 LYS+ 112 33.333% * 99.9115% (0.63 10.0 10.00 6.40 199.22) = 99.911% kept HB2 HIS 122 - HB3 LYS+ 112 33.333% * 0.0499% (0.31 1.0 1.00 0.02 0.02) = 0.050% HB2 HIS 22 - HB3 LYS+ 112 33.333% * 0.0386% (0.24 1.0 1.00 0.02 0.35) = 0.039% Peak 2267 (8.49, 1.19, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.935, support = 5.63, residual support = 195.1: O HN LYS+ 112 - HB3 LYS+ 112 25.000% * 97.9371% (0.95 10.0 5.72 199.22) = 97.937% kept HN THR 46 - HB3 LYS+ 112 25.000% * 1.8853% (0.24 1.0 1.50 0.64) = 1.885% kept HN MET 11 - HB3 LYS+ 112 25.000% * 0.1028% (1.00 1.0 0.02 0.02) = 0.103% HN LYS+ 74 - HB3 LYS+ 112 25.000% * 0.0749% (0.73 1.0 0.02 0.02) = 0.075% Peak 2268 (8.50, 1.37, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.757, support = 5.53, residual support = 194.3: O HN LYS+ 112 - HB2 LYS+ 112 12.500% * 97.5188% (0.77 10.0 5.64 199.22) = 97.519% kept HN ASP- 78 - HB2 LYS+ 112 12.500% * 2.2135% (0.21 1.0 1.65 2.00) = 2.213% kept HN LYS+ 112 - HB VAL 42 12.500% * 0.0802% (0.63 1.0 0.02 0.02) = 0.080% HN MET 11 - HB2 LYS+ 112 12.500% * 0.0675% (0.53 1.0 0.02 0.02) = 0.067% HN MET 11 - HB VAL 42 12.500% * 0.0555% (0.44 1.0 0.02 0.02) = 0.056% HN LYS+ 74 - HB2 LYS+ 112 12.500% * 0.0233% (0.18 1.0 0.02 0.02) = 0.023% HN ASP- 78 - HB VAL 42 12.500% * 0.0221% (0.17 1.0 0.02 0.14) = 0.022% HN LYS+ 74 - HB VAL 42 12.500% * 0.0191% (0.15 1.0 0.02 0.02) = 0.019% Peak 2269 (5.28, 1.39, 32.90 ppm): 2 chemical-shift based assignments, quality = 0.711, support = 0.593, residual support = 0.708: HA PHE 72 - HB VAL 42 50.000% * 71.8700% (0.79 0.67 0.89) = 71.870% kept HA PHE 72 - HB2 LYS+ 112 50.000% * 28.1300% (0.50 0.41 0.23) = 28.130% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2270 (8.95, 1.39, 32.90 ppm): 8 chemical-shift based assignments, quality = 0.708, support = 4.79, residual support = 56.6: O HN VAL 42 - HB VAL 42 12.500% * 81.3621% (0.73 10.0 5.31 69.25) = 81.362% kept HN LEU 73 - HB VAL 42 12.500% * 12.7847% (0.73 1.0 3.14 1.44) = 12.785% kept HN LYS+ 106 - HB VAL 42 12.500% * 3.5912% (0.44 1.0 1.47 1.06) = 3.591% kept HN LEU 73 - HB2 LYS+ 112 12.500% * 1.8143% (0.46 1.0 0.70 2.51) = 1.814% kept HN VAL 42 - HB2 LYS+ 112 12.500% * 0.3930% (0.46 1.0 0.15 0.02) = 0.393% HN LYS+ 106 - HB2 LYS+ 112 12.500% * 0.0311% (0.28 1.0 0.02 0.02) = 0.031% HN ILE 19 - HB VAL 42 12.500% * 0.0145% (0.13 1.0 0.02 0.02) = 0.014% HN ILE 19 - HB2 LYS+ 112 12.500% * 0.0092% (0.08 1.0 0.02 0.02) = 0.009% Peak 2271 (7.30, 1.39, 32.90 ppm): 8 chemical-shift based assignments, quality = 0.497, support = 1.75, residual support = 1.76: QD PHE 60 - HB VAL 42 12.500% * 60.1438% (0.55 2.39 2.67) = 60.144% kept QD PHE 60 - HB2 LYS+ 112 12.500% * 17.1719% (0.35 1.07 0.34) = 17.172% kept HN LYS+ 81 - HB VAL 42 12.500% * 11.4762% (0.80 0.31 0.02) = 11.476% kept HE3 TRP 27 - HB VAL 42 12.500% * 5.6297% (0.11 1.12 1.64) = 5.630% kept HN LYS+ 66 - HB VAL 42 12.500% * 3.2090% (0.13 0.55 0.02) = 3.209% kept HE3 TRP 27 - HB2 LYS+ 112 12.500% * 1.8291% (0.07 0.57 0.25) = 1.829% kept HN LYS+ 81 - HB2 LYS+ 112 12.500% * 0.4656% (0.51 0.02 0.02) = 0.466% HN LYS+ 66 - HB2 LYS+ 112 12.500% * 0.0747% (0.08 0.02 0.02) = 0.075% Peak 2272 (6.71, 1.39, 32.90 ppm): 6 chemical-shift based assignments, quality = 0.358, support = 0.59, residual support = 0.694: T QD PHE 72 - HB VAL 42 16.667% * 55.1838% (0.32 10.00 0.62 0.89) = 55.184% kept T QD PHE 72 - HB2 LYS+ 112 16.667% * 23.4262% (0.21 10.00 0.42 0.23) = 23.426% kept HZ PHE 72 - HB VAL 42 16.667% * 14.6684% (0.70 1.00 0.77 0.89) = 14.668% kept HZ PHE 72 - HB2 LYS+ 112 16.667% * 6.5664% (0.44 1.00 0.54 0.23) = 6.566% kept QE PHE 45 - HB VAL 42 16.667% * 0.0948% (0.17 1.00 0.02 1.00) = 0.095% QE PHE 45 - HB2 LYS+ 112 16.667% * 0.0604% (0.11 1.00 0.02 0.39) = 0.060% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2273 (8.88, 4.14, 45.70 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 0.02, residual support = 0.02: HN LEU 40 - HA1 GLY 101 100.000% *100.0000% (1.00 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2274 (8.87, 3.52, 45.70 ppm): 2 chemical-shift based assignments, quality = 0.292, support = 2.52, residual support = 10.6: O HN GLY 101 - HA2 GLY 101 50.000% * 89.9548% (0.24 10.0 2.72 11.83) = 89.955% kept HN LEU 40 - HA2 GLY 101 50.000% * 10.0452% (0.73 1.0 0.75 0.02) = 10.045% kept Peak 2275 (8.24, 4.31, 53.06 ppm): 1 chemical-shift based assignment, quality = 0.774, support = 1.73, residual support = 3.23: O HN SER 13 - HA ALA 12 100.000% *100.0000% (0.77 10.0 1.73 3.23) = 100.000% kept Peak 2276 (8.38, 4.31, 53.06 ppm): 4 chemical-shift based assignments, quality = 0.791, support = 2.2, residual support = 11.6: O HN ALA 12 - HA ALA 12 25.000% * 99.8998% (0.79 10.0 2.20 11.62) = 99.900% kept HN ASN 35 - HA ALA 12 25.000% * 0.0500% (0.40 1.0 0.02 0.02) = 0.050% HN LEU 115 - HA ALA 12 25.000% * 0.0251% (0.20 1.0 0.02 0.02) = 0.025% HN PHE 97 - HA ALA 12 25.000% * 0.0251% (0.20 1.0 0.02 0.02) = 0.025% Peak 2277 (8.36, 1.39, 19.22 ppm): 2 chemical-shift based assignments, quality = 0.327, support = 2.19, residual support = 11.6: O HN ALA 12 - QB ALA 12 50.000% * 99.7493% (0.33 10.0 2.20 11.62) = 99.749% kept HN ASN 35 - QB ALA 12 50.000% * 0.2507% (0.82 1.0 0.02 0.02) = 0.251% Peak 2278 (8.39, 4.29, 56.56 ppm): 6 chemical-shift based assignments, quality = 0.532, support = 3.47, residual support = 10.3: O HN ALA 12 - HA MET 11 16.667% * 99.6307% (0.53 10.0 3.48 10.29) = 99.631% kept HN LEU 115 - HA MET 11 16.667% * 0.1355% (0.73 1.0 0.02 0.02) = 0.135% HN PHE 97 - HA MET 11 16.667% * 0.1355% (0.73 1.0 0.02 0.02) = 0.135% HN LEU 115 - HA GLU- 14 16.667% * 0.0360% (0.19 1.0 0.02 0.02) = 0.036% HN PHE 97 - HA GLU- 14 16.667% * 0.0360% (0.19 1.0 0.02 0.02) = 0.036% HN ALA 12 - HA GLU- 14 16.667% * 0.0264% (0.14 1.0 0.02 0.02) = 0.026% Peak 2279 (8.38, 1.92, 30.22 ppm): 8 chemical-shift based assignments, quality = 0.916, support = 3.38, residual support = 9.77: HN ALA 12 - HG3 MET 11 12.500% * 94.9239% (0.95 3.54 10.29) = 94.924% kept HN ALA 12 - HB3 GLU- 14 12.500% * 4.3183% (0.33 0.46 0.02) = 4.318% kept HN ASN 35 - HG3 MET 11 12.500% * 0.2489% (0.44 0.02 0.02) = 0.249% HN PHE 97 - HG3 MET 11 12.500% * 0.1570% (0.28 0.02 0.02) = 0.157% HN LEU 115 - HG3 MET 11 12.500% * 0.1570% (0.28 0.02 0.02) = 0.157% HN ASN 35 - HB3 GLU- 14 12.500% * 0.0862% (0.15 0.02 0.02) = 0.086% HN LEU 115 - HB3 GLU- 14 12.500% * 0.0544% (0.10 0.02 0.02) = 0.054% HN PHE 97 - HB3 GLU- 14 12.500% * 0.0544% (0.10 0.02 0.02) = 0.054% Peak 2280 (8.32, 4.41, 58.75 ppm): 18 chemical-shift based assignments, quality = 0.877, support = 2.04, residual support = 5.84: O HN GLU- 14 - HA SER 13 5.556% * 97.9504% (0.89 10.0 2.07 5.97) = 97.950% kept HN GLN 30 - HA SER 37 5.556% * 1.3830% (0.30 1.0 0.83 0.02) = 1.383% kept HE1 HIS 122 - HA SER 13 5.556% * 0.0798% (0.73 1.0 0.02 0.02) = 0.080% HN GLN 30 - HA SER 13 5.556% * 0.0798% (0.73 1.0 0.02 0.02) = 0.080% HN LYS+ 99 - HA SER 13 5.556% * 0.0693% (0.63 1.0 0.02 0.02) = 0.069% HN ASP- 86 - HA SER 13 5.556% * 0.0693% (0.63 1.0 0.02 0.02) = 0.069% HN GLU- 14 - HA THR 46 5.556% * 0.0489% (0.45 1.0 0.02 0.02) = 0.049% HN GLU- 14 - HA SER 37 5.556% * 0.0408% (0.37 1.0 0.02 0.02) = 0.041% HE1 HIS 122 - HA THR 46 5.556% * 0.0399% (0.36 1.0 0.02 0.88) = 0.040% HN GLN 30 - HA THR 46 5.556% * 0.0399% (0.36 1.0 0.02 0.02) = 0.040% HN ASP- 86 - HA THR 46 5.556% * 0.0346% (0.32 1.0 0.02 0.02) = 0.035% HN LYS+ 99 - HA THR 46 5.556% * 0.0346% (0.32 1.0 0.02 0.02) = 0.035% HE1 HIS 122 - HA SER 37 5.556% * 0.0332% (0.30 1.0 0.02 0.02) = 0.033% HN LYS+ 99 - HA SER 37 5.556% * 0.0288% (0.26 1.0 0.02 0.02) = 0.029% HN ASP- 86 - HA SER 37 5.556% * 0.0288% (0.26 1.0 0.02 0.02) = 0.029% HN GLU- 29 - HA SER 13 5.556% * 0.0202% (0.18 1.0 0.02 0.02) = 0.020% HN GLU- 29 - HA THR 46 5.556% * 0.0101% (0.09 1.0 0.02 0.02) = 0.010% HN GLU- 29 - HA SER 37 5.556% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% Peak 2281 (8.93, 4.41, 58.75 ppm): 9 chemical-shift based assignments, quality = 0.423, support = 0.705, residual support = 1.2: HN ILE 19 - HA THR 46 11.111% * 63.9522% (0.49 0.87 1.78) = 63.952% kept HN VAL 42 - HA THR 46 11.111% * 20.7759% (0.22 0.63 0.26) = 20.776% kept HN LEU 73 - HA THR 46 11.111% * 7.3764% (0.22 0.22 0.02) = 7.376% kept HN ILE 19 - HA SER 13 11.111% * 2.9456% (0.99 0.02 0.02) = 2.946% kept HN LEU 73 - HA SER 13 11.111% * 1.3151% (0.44 0.02 0.02) = 1.315% kept HN VAL 42 - HA SER 13 11.111% * 1.3151% (0.44 0.02 0.02) = 1.315% kept HN ILE 19 - HA SER 37 11.111% * 1.2255% (0.41 0.02 0.02) = 1.225% kept HN LEU 73 - HA SER 37 11.111% * 0.5471% (0.18 0.02 0.02) = 0.547% HN VAL 42 - HA SER 37 11.111% * 0.5471% (0.18 0.02 0.02) = 0.547% Peak 2282 (7.91, 3.88, 64.19 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 3.28, residual support = 25.5: O HN SER 37 - HB3 SER 37 12.500% * 98.3948% (0.76 10.0 3.33 25.95) = 98.395% kept HN ILE 89 - HB3 SER 37 12.500% * 0.9226% (0.75 1.0 0.19 0.02) = 0.923% HN ILE 119 - HB3 SER 37 12.500% * 0.4555% (0.60 1.0 0.12 1.69) = 0.456% HN SER 37 - QB SER 13 12.500% * 0.0673% (0.52 1.0 0.02 0.02) = 0.067% HN ILE 89 - QB SER 13 12.500% * 0.0662% (0.51 1.0 0.02 0.02) = 0.066% HN ILE 119 - QB SER 13 12.500% * 0.0526% (0.41 1.0 0.02 0.02) = 0.053% HN CYS 21 - HB3 SER 37 12.500% * 0.0243% (0.19 1.0 0.02 0.02) = 0.024% HN CYS 21 - QB SER 13 12.500% * 0.0166% (0.13 1.0 0.02 0.02) = 0.017% Peak 2283 (4.34, 1.92, 30.50 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 0.171, residual support = 0.0954: HA TRP 87 - HB3 GLU- 14 16.667% * 70.7796% (1.00 0.20 0.13) = 70.780% kept HA PHE 59 - HB3 GLU- 14 16.667% * 23.0940% (0.58 0.11 0.02) = 23.094% kept HA TRP 87 - HG3 MET 11 16.667% * 2.4169% (0.35 0.02 0.02) = 2.417% kept HA LEU 104 - HB3 GLU- 14 16.667% * 1.7065% (0.24 0.02 0.02) = 1.707% kept HA PHE 59 - HG3 MET 11 16.667% * 1.4118% (0.20 0.02 0.02) = 1.412% kept HA LEU 104 - HG3 MET 11 16.667% * 0.5912% (0.08 0.02 0.02) = 0.591% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2285 (8.33, 1.92, 30.50 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 3.66, residual support = 36.6: O HN GLU- 14 - HB3 GLU- 14 10.000% * 99.6106% (0.89 10.0 3.67 36.78) = 99.611% kept HN LYS+ 99 - HB3 GLU- 14 10.000% * 0.1118% (1.00 1.0 0.02 0.02) = 0.112% HE1 HIS 122 - HB3 GLU- 14 10.000% * 0.1104% (0.99 1.0 0.02 0.02) = 0.110% HN LYS+ 99 - HG3 MET 11 10.000% * 0.0387% (0.35 1.0 0.02 0.02) = 0.039% HE1 HIS 122 - HG3 MET 11 10.000% * 0.0382% (0.34 1.0 0.02 0.02) = 0.038% HN GLU- 14 - HG3 MET 11 10.000% * 0.0345% (0.31 1.0 0.02 0.12) = 0.035% HN GLN 30 - HB3 GLU- 14 10.000% * 0.0238% (0.21 1.0 0.02 0.02) = 0.024% HN ASP- 86 - HB3 GLU- 14 10.000% * 0.0177% (0.16 1.0 0.02 0.02) = 0.018% HN GLN 30 - HG3 MET 11 10.000% * 0.0082% (0.07 1.0 0.02 0.02) = 0.008% HN ASP- 86 - HG3 MET 11 10.000% * 0.0061% (0.05 1.0 0.02 0.02) = 0.006% Peak 2286 (8.34, 2.08, 30.50 ppm): 8 chemical-shift based assignments, quality = 0.352, support = 3.64, residual support = 36.6: O HN GLU- 14 - HB2 GLU- 14 12.500% * 99.4070% (0.35 10.0 3.66 36.78) = 99.407% kept HN LYS+ 99 - HB2 GLU- 14 12.500% * 0.1768% (0.63 1.0 0.02 0.02) = 0.177% HE1 HIS 122 - HB2 GLU- 14 12.500% * 0.1497% (0.53 1.0 0.02 0.02) = 0.150% HN ASN 35 - HB2 GLU- 14 12.500% * 0.0779% (0.28 1.0 0.02 0.02) = 0.078% HN LYS+ 99 - HG2 MET 11 12.500% * 0.0662% (0.24 1.0 0.02 0.02) = 0.066% HE1 HIS 122 - HG2 MET 11 12.500% * 0.0560% (0.20 1.0 0.02 0.02) = 0.056% HN GLU- 14 - HG2 MET 11 12.500% * 0.0372% (0.13 1.0 0.02 0.12) = 0.037% HN ASN 35 - HG2 MET 11 12.500% * 0.0292% (0.10 1.0 0.02 0.02) = 0.029% Peak 2289 (8.65, 4.41, 56.54 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 1.6, residual support = 3.19: O HN GLY 16 - HA GLU- 15 16.667% * 99.5962% (0.95 10.0 1.60 3.21) = 99.596% kept HN GLY 16 - HA LEU 40 16.667% * 0.0980% (0.75 1.0 0.02 0.30) = 0.098% HN SER 117 - HA GLU- 15 16.667% * 0.0949% (0.73 1.0 0.02 0.02) = 0.095% HN SER 82 - HA GLU- 15 16.667% * 0.0761% (0.58 1.0 0.02 0.02) = 0.076% HN SER 117 - HA LEU 40 16.667% * 0.0749% (0.57 1.0 0.02 0.02) = 0.075% HN SER 82 - HA LEU 40 16.667% * 0.0600% (0.46 1.0 0.02 0.02) = 0.060% Peak 2290 (8.81, 4.13, 56.27 ppm): 2 chemical-shift based assignments, quality = 0.774, support = 4.93, residual support = 78.6: O HN ASN 28 - HA ASN 28 50.000% * 97.6180% (0.77 10.0 5.04 80.55) = 97.618% kept HN ASN 69 - HA ASN 28 50.000% * 2.3820% (0.85 1.0 0.44 0.02) = 2.382% kept Peak 2291 (1.36, 4.13, 56.27 ppm): 16 chemical-shift based assignments, quality = 0.591, support = 0.982, residual support = 3.86: T HB2 LEU 31 - HA ASN 28 6.250% * 50.4161% (0.24 10.00 1.64 7.63) = 50.416% kept T QB ALA 84 - HA ASN 28 6.250% * 43.5892% (1.00 10.00 0.35 0.02) = 43.589% kept T QB ALA 124 - HA ASN 28 6.250% * 2.1532% (0.85 10.00 0.02 0.02) = 2.153% kept HG LEU 98 - HA ASN 28 6.250% * 1.6016% (0.95 1.00 0.13 0.02) = 1.602% kept HG3 LYS+ 106 - HA ASN 28 6.250% * 0.7800% (0.49 1.00 0.13 0.02) = 0.780% HB2 LEU 63 - HA ASN 28 6.250% * 0.5433% (0.53 1.00 0.08 2.41) = 0.543% HB3 PRO 93 - HA ASN 28 6.250% * 0.2519% (1.00 1.00 0.02 0.02) = 0.252% HB3 ASP- 44 - HA ASN 28 6.250% * 0.1710% (0.68 1.00 0.02 0.02) = 0.171% HB3 LEU 80 - HA ASN 28 6.250% * 0.0999% (0.40 1.00 0.02 0.48) = 0.100% HB2 LYS+ 112 - HA ASN 28 6.250% * 0.0893% (0.35 1.00 0.02 0.02) = 0.089% HG3 LYS+ 102 - HA ASN 28 6.250% * 0.0700% (0.28 1.00 0.02 0.02) = 0.070% HB3 LEU 73 - HA ASN 28 6.250% * 0.0614% (0.24 1.00 0.02 0.13) = 0.061% HB VAL 42 - HA ASN 28 6.250% * 0.0463% (0.18 1.00 0.02 0.02) = 0.046% HG3 LYS+ 65 - HA ASN 28 6.250% * 0.0463% (0.18 1.00 0.02 0.02) = 0.046% HG2 LYS+ 111 - HA ASN 28 6.250% * 0.0463% (0.18 1.00 0.02 0.02) = 0.046% HG3 LYS+ 33 - HA ASN 28 6.250% * 0.0341% (0.14 1.00 0.02 0.02) = 0.034% Peak 2292 (0.79, 4.13, 56.27 ppm): 4 chemical-shift based assignments, quality = 0.533, support = 2.06, residual support = 6.43: HG LEU 31 - HA ASN 28 25.000% * 83.8525% (0.49 2.44 7.63) = 83.853% kept QD1 ILE 56 - HA ASN 28 25.000% * 7.8416% (0.95 0.12 0.36) = 7.842% kept HG3 LYS+ 121 - HA ASN 28 25.000% * 7.3456% (0.68 0.15 0.02) = 7.346% kept QD2 LEU 73 - HA ASN 28 25.000% * 0.9603% (0.68 0.02 0.13) = 0.960% Peak 2293 (8.65, 3.96, 45.84 ppm): 3 chemical-shift based assignments, quality = 0.946, support = 2.53, residual support = 4.83: O HN GLY 16 - HA2 GLY 16 33.333% * 98.3279% (0.95 10.0 2.57 4.91) = 98.328% kept HN SER 117 - HA2 GLY 16 33.333% * 1.6118% (0.73 1.0 0.43 0.02) = 1.612% kept HN SER 82 - HA2 GLY 16 33.333% * 0.0603% (0.58 1.0 0.02 0.02) = 0.060% Peak 2294 (7.70, 3.96, 45.84 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 2.93, residual support = 10.9: O HN GLN 17 - HA2 GLY 16 16.667% * 93.5330% (0.53 10.0 3.09 11.68) = 93.533% kept HN ALA 61 - HA2 GLY 16 16.667% * 3.1016% (0.35 1.0 1.00 0.59) = 3.102% kept HE3 TRP 87 - HA2 GLY 16 16.667% * 2.6595% (0.73 1.0 0.42 0.02) = 2.660% kept HN ALA 91 - HA2 GLY 16 16.667% * 0.5886% (0.28 1.0 0.24 0.02) = 0.589% HN TRP 87 - HA2 GLY 16 16.667% * 0.0621% (0.35 1.0 0.02 0.02) = 0.062% HD21 ASN 69 - HA2 GLY 16 16.667% * 0.0552% (0.31 1.0 0.02 0.02) = 0.055% Peak 2295 (7.70, 4.04, 45.84 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 2.93, residual support = 10.9: O HN GLN 17 - HA1 GLY 16 16.667% * 93.5330% (0.53 10.0 3.09 11.68) = 93.533% kept HN ALA 61 - HA1 GLY 16 16.667% * 3.1016% (0.35 1.0 1.00 0.59) = 3.102% kept HE3 TRP 87 - HA1 GLY 16 16.667% * 2.6595% (0.73 1.0 0.42 0.02) = 2.660% kept HN ALA 91 - HA1 GLY 16 16.667% * 0.5886% (0.28 1.0 0.24 0.02) = 0.589% HN TRP 87 - HA1 GLY 16 16.667% * 0.0621% (0.35 1.0 0.02 0.02) = 0.062% HD21 ASN 69 - HA1 GLY 16 16.667% * 0.0552% (0.31 1.0 0.02 0.02) = 0.055% Peak 2296 (8.64, 4.04, 45.84 ppm): 4 chemical-shift based assignments, quality = 0.437, support = 2.54, residual support = 4.85: O HN GLY 16 - HA1 GLY 16 25.000% * 98.7085% (0.44 10.0 2.57 4.91) = 98.709% kept HN SER 117 - HA1 GLY 16 25.000% * 1.0207% (0.21 1.0 0.43 0.02) = 1.021% kept HN SER 82 - HA1 GLY 16 25.000% * 0.2232% (1.00 1.0 0.02 0.02) = 0.223% HN GLN 90 - HA1 GLY 16 25.000% * 0.0476% (0.21 1.0 0.02 0.02) = 0.048% Peak 2297 (1.80, 2.21, 33.80 ppm): 12 chemical-shift based assignments, quality = 0.443, support = 4.22, residual support = 63.3: O T HB3 GLN 17 - QG GLN 17 8.333% * 88.1475% (0.46 10.0 10.00 4.31 68.89) = 88.148% kept HB2 LEU 71 - HB VAL 70 8.333% * 7.3804% (0.14 1.0 1.00 5.49 35.28) = 7.380% kept QB LYS+ 65 - QG GLN 17 8.333% * 2.5901% (0.65 1.0 1.00 0.42 0.02) = 2.590% kept HB2 LEU 71 - QG GLN 17 8.333% * 1.3978% (0.66 1.0 1.00 0.22 0.02) = 1.398% kept T HB3 GLN 17 - HB VAL 70 8.333% * 0.1878% (0.10 1.0 10.00 0.02 0.83) = 0.188% QB LYS+ 102 - QG GLN 17 8.333% * 0.1110% (0.58 1.0 1.00 0.02 0.02) = 0.111% HG2 PRO 93 - QG GLN 17 8.333% * 0.0756% (0.40 1.0 1.00 0.02 0.02) = 0.076% QB LYS+ 66 - QG GLN 17 8.333% * 0.0361% (0.19 1.0 1.00 0.02 0.02) = 0.036% QB LYS+ 65 - HB VAL 70 8.333% * 0.0263% (0.14 1.0 1.00 0.02 0.02) = 0.026% QB LYS+ 102 - HB VAL 70 8.333% * 0.0236% (0.12 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 93 - HB VAL 70 8.333% * 0.0161% (0.08 1.0 1.00 0.02 0.02) = 0.016% QB LYS+ 66 - HB VAL 70 8.333% * 0.0077% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 2298 (7.70, 2.21, 33.80 ppm): 12 chemical-shift based assignments, quality = 0.322, support = 4.61, residual support = 55.5: HN GLN 17 - QG GLN 17 8.333% * 79.3230% (0.36 5.46 68.89) = 79.323% kept HD21 ASN 69 - HB VAL 70 8.333% * 6.0454% (0.05 3.31 14.22) = 6.045% kept HD21 ASN 69 - QG GLN 17 8.333% * 4.9046% (0.21 0.57 0.02) = 4.905% kept HN GLN 17 - HB VAL 70 8.333% * 3.6123% (0.08 1.17 0.83) = 3.612% kept HN ALA 61 - QG GLN 17 8.333% * 3.2220% (0.24 0.33 0.02) = 3.222% kept HE3 TRP 87 - QG GLN 17 8.333% * 2.0780% (0.49 0.11 0.02) = 2.078% kept HE3 TRP 87 - HB VAL 70 8.333% * 0.3557% (0.11 0.08 0.02) = 0.356% HN TRP 87 - QG GLN 17 8.333% * 0.1930% (0.24 0.02 0.02) = 0.193% HN ALA 91 - QG GLN 17 8.333% * 0.1514% (0.19 0.02 0.02) = 0.151% HN TRP 87 - HB VAL 70 8.333% * 0.0411% (0.05 0.02 0.02) = 0.041% HN ALA 61 - HB VAL 70 8.333% * 0.0411% (0.05 0.02 0.02) = 0.041% HN ALA 91 - HB VAL 70 8.333% * 0.0322% (0.04 0.02 0.02) = 0.032% Peak 2299 (8.27, 2.21, 33.80 ppm): 2 chemical-shift based assignments, quality = 0.664, support = 5.61, residual support = 44.8: HN VAL 18 - QG GLN 17 50.000% * 97.5145% (0.68 5.74 45.96) = 97.515% kept HN VAL 18 - HB VAL 70 50.000% * 2.4855% (0.14 0.69 0.54) = 2.485% kept Peak 2300 (7.70, 1.79, 31.50 ppm): 6 chemical-shift based assignments, quality = 0.524, support = 4.96, residual support = 66.5: O HN GLN 17 - HB3 GLN 17 16.667% * 96.5773% (0.53 10.0 5.12 68.89) = 96.577% kept HD21 ASN 69 - HB3 GLN 17 16.667% * 1.5477% (0.31 1.0 0.54 0.02) = 1.548% kept HN ALA 61 - HB3 GLN 17 16.667% * 1.0703% (0.35 1.0 0.33 0.02) = 1.070% kept HE3 TRP 87 - HB3 GLN 17 16.667% * 0.6903% (0.73 1.0 0.11 0.02) = 0.690% HN TRP 87 - HB3 GLN 17 16.667% * 0.0641% (0.35 1.0 0.02 0.02) = 0.064% HN ALA 91 - HB3 GLN 17 16.667% * 0.0503% (0.28 1.0 0.02 0.02) = 0.050% Peak 2301 (8.27, 1.79, 31.50 ppm): 1 chemical-shift based assignment, quality = 0.997, support = 5.4, residual support = 46.0: HN VAL 18 - HB3 GLN 17 100.000% *100.0000% (1.00 5.40 45.96) = 100.000% kept Peak 2302 (1.80, 4.42, 54.38 ppm): 6 chemical-shift based assignments, quality = 0.692, support = 3.78, residual support = 64.1: O T HB3 GLN 17 - HA GLN 17 16.667% * 93.0247% (0.68 10.0 10.00 4.00 68.89) = 93.025% kept QB LYS+ 65 - HA GLN 17 16.667% * 6.3271% (0.95 1.0 1.00 0.97 0.02) = 6.327% kept HG2 PRO 93 - HA GLN 17 16.667% * 0.3599% (0.58 1.0 1.00 0.09 0.02) = 0.360% HB2 LEU 71 - HA GLN 17 16.667% * 0.1331% (0.97 1.0 1.00 0.02 0.02) = 0.133% QB LYS+ 102 - HA GLN 17 16.667% * 0.1171% (0.85 1.0 1.00 0.02 0.02) = 0.117% QB LYS+ 66 - HA GLN 17 16.667% * 0.0381% (0.28 1.0 1.00 0.02 0.02) = 0.038% Peak 2303 (1.80, 2.01, 31.84 ppm): 18 chemical-shift based assignments, quality = 0.172, support = 3.67, residual support = 59.4: O T HB3 GLN 17 - HB2 GLN 17 5.556% * 86.2334% (0.16 10.0 10.00 4.24 68.89) = 86.233% kept T HB3 GLN 17 - QB GLU- 15 5.556% * 7.1083% (0.18 1.0 10.00 0.15 0.15) = 7.108% kept QB LYS+ 102 - QB GLU- 15 5.556% * 2.0169% (0.23 1.0 1.00 0.33 0.02) = 2.017% kept T HB3 GLN 17 - HB3 PRO 68 5.556% * 1.9620% (0.37 1.0 10.00 0.02 0.02) = 1.962% kept QB LYS+ 65 - HB3 PRO 68 5.556% * 1.0445% (0.52 1.0 1.00 0.08 0.02) = 1.044% kept HB2 LEU 71 - HB3 PRO 68 5.556% * 0.2808% (0.53 1.0 1.00 0.02 0.02) = 0.281% QB LYS+ 102 - HB3 PRO 68 5.556% * 0.2470% (0.47 1.0 1.00 0.02 0.02) = 0.247% HG2 PRO 93 - HB3 PRO 68 5.556% * 0.1683% (0.32 1.0 1.00 0.02 0.02) = 0.168% HB2 LEU 71 - QB GLU- 15 5.556% * 0.1385% (0.26 1.0 1.00 0.02 0.02) = 0.139% QB LYS+ 65 - QB GLU- 15 5.556% * 0.1354% (0.26 1.0 1.00 0.02 0.02) = 0.135% HB2 LEU 71 - HB2 GLN 17 5.556% * 0.1234% (0.23 1.0 1.00 0.02 0.02) = 0.123% QB LYS+ 65 - HB2 GLN 17 5.556% * 0.1207% (0.23 1.0 1.00 0.02 0.02) = 0.121% QB LYS+ 102 - HB2 GLN 17 5.556% * 0.1086% (0.21 1.0 1.00 0.02 0.02) = 0.109% HG2 PRO 93 - QB GLU- 15 5.556% * 0.0830% (0.16 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 66 - HB3 PRO 68 5.556% * 0.0803% (0.15 1.0 1.00 0.02 0.02) = 0.080% HG2 PRO 93 - HB2 GLN 17 5.556% * 0.0740% (0.14 1.0 1.00 0.02 0.02) = 0.074% QB LYS+ 66 - QB GLU- 15 5.556% * 0.0396% (0.08 1.0 1.00 0.02 0.02) = 0.040% QB LYS+ 66 - HB2 GLN 17 5.556% * 0.0353% (0.07 1.0 1.00 0.02 0.02) = 0.035% Peak 2304 (4.75, 2.01, 31.84 ppm): 3 chemical-shift based assignments, quality = 0.101, support = 2.0, residual support = 25.4: O HA PRO 68 - HB3 PRO 68 33.333% * 99.9068% (0.10 10.0 2.00 25.44) = 99.907% kept HA PRO 68 - QB GLU- 15 33.333% * 0.0493% (0.05 1.0 0.02 0.02) = 0.049% HA PRO 68 - HB2 GLN 17 33.333% * 0.0439% (0.04 1.0 0.02 0.02) = 0.044% Peak 2305 (8.27, 2.01, 31.84 ppm): 3 chemical-shift based assignments, quality = 0.253, support = 5.18, residual support = 43.8: HN VAL 18 - HB2 GLN 17 33.333% * 95.3396% (0.24 5.43 45.96) = 95.340% kept HN VAL 18 - HB3 PRO 68 33.333% * 4.2664% (0.55 0.11 0.02) = 4.266% kept HN VAL 18 - QB GLU- 15 33.333% * 0.3940% (0.27 0.02 0.02) = 0.394% Peak 2306 (8.28, 4.42, 54.38 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 5.4, residual support = 45.9: O HN VAL 18 - HA GLN 17 50.000% * 99.9541% (0.77 10.0 5.40 45.96) = 99.954% kept HN GLU- 29 - HA GLN 17 50.000% * 0.0459% (0.35 1.0 0.02 0.02) = 0.046% Peak 2307 (0.38, 4.42, 54.38 ppm): 3 chemical-shift based assignments, quality = 0.578, support = 1.08, residual support = 1.58: T QB ALA 64 - HA GLN 17 33.333% * 97.4510% (0.58 10.00 1.10 1.62) = 97.451% kept T QB ALA 47 - HA GLN 17 33.333% * 1.4747% (0.49 10.00 0.02 0.02) = 1.475% kept T QG1 VAL 42 - HA GLN 17 33.333% * 1.0743% (0.35 10.00 0.02 0.02) = 1.074% kept Peak 2308 (8.28, 1.96, 32.56 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 4.99, residual support = 65.6: O HN VAL 18 - HB VAL 18 50.000% * 99.9541% (0.77 10.0 4.99 65.62) = 99.954% kept HN GLU- 29 - HB VAL 18 50.000% * 0.0459% (0.35 1.0 0.02 0.02) = 0.046% Peak 2309 (2.84, 4.00, 62.64 ppm): 2 chemical-shift based assignments, quality = 0.917, support = 0.685, residual support = 7.71: HA ALA 64 - HA VAL 18 50.000% * 91.1312% (0.97 1.00 0.75 8.45) = 91.131% kept T HB2 PHE 72 - HA VAL 18 50.000% * 8.8688% (0.35 10.00 0.02 0.02) = 8.869% kept Peak 2310 (8.94, 4.00, 62.64 ppm): 3 chemical-shift based assignments, quality = 0.622, support = 4.24, residual support = 18.3: O HN ILE 19 - HA VAL 18 33.333% * 98.6782% (0.63 10.0 4.30 18.58) = 98.678% kept HN LEU 73 - HA VAL 18 33.333% * 0.6736% (0.89 1.0 0.10 0.10) = 0.674% HN VAL 42 - HA VAL 18 33.333% * 0.6482% (0.89 1.0 0.09 0.02) = 0.648% Peak 2311 (1.46, 0.86, 22.91 ppm): 10 chemical-shift based assignments, quality = 0.773, support = 0.369, residual support = 0.0608: HG LEU 67 - QG1 VAL 18 10.000% * 27.4825% (1.00 0.40 0.02) = 27.483% kept HG LEU 73 - QG1 VAL 18 10.000% * 21.1181% (0.49 0.63 0.10) = 21.118% kept HG LEU 40 - QG1 VAL 18 10.000% * 18.1375% (0.99 0.27 0.02) = 18.138% kept HB3 LEU 115 - QG1 VAL 18 10.000% * 16.8038% (0.99 0.25 0.02) = 16.804% kept QG LYS+ 66 - QG1 VAL 18 10.000% * 7.0043% (0.28 0.36 0.36) = 7.004% kept QB ALA 120 - QG1 VAL 18 10.000% * 4.9587% (0.58 0.12 0.02) = 4.959% kept HB3 LEU 67 - QG1 VAL 18 10.000% * 2.3785% (0.14 0.25 0.02) = 2.379% kept HG2 LYS+ 102 - QG1 VAL 18 10.000% * 0.8737% (0.63 0.02 0.10) = 0.874% HG LEU 115 - QG1 VAL 18 10.000% * 0.8065% (0.58 0.02 0.02) = 0.807% HB3 LEU 40 - QG1 VAL 18 10.000% * 0.4363% (0.31 0.02 0.02) = 0.436% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2312 (1.29, 0.76, 22.78 ppm): 8 chemical-shift based assignments, quality = 0.388, support = 1.12, residual support = 1.28: T QB ALA 34 - QG1 VAL 41 12.500% * 68.3228% (0.35 10.00 1.29 1.71) = 68.323% kept T QB ALA 34 - QG2 VAL 18 12.500% * 16.8778% (0.24 10.00 0.47 0.02) = 16.878% kept QG2 THR 23 - QG1 VAL 41 12.500% * 13.6616% (0.77 1.00 1.19 0.83) = 13.662% kept QG2 ILE 56 - QG1 VAL 41 12.500% * 0.7000% (0.18 1.00 0.25 0.02) = 0.700% QG2 THR 23 - QG2 VAL 18 12.500% * 0.1564% (0.52 1.00 0.02 0.02) = 0.156% QG2 THR 77 - QG1 VAL 41 12.500% * 0.1453% (0.49 1.00 0.02 0.02) = 0.145% QG2 THR 77 - QG2 VAL 18 12.500% * 0.0987% (0.33 1.00 0.02 0.02) = 0.099% QG2 ILE 56 - QG2 VAL 18 12.500% * 0.0373% (0.12 1.00 0.02 0.02) = 0.037% Peak 2313 (1.82, 0.76, 22.78 ppm): 18 chemical-shift based assignments, quality = 0.729, support = 3.3, residual support = 43.3: O T HB VAL 41 - QG1 VAL 41 5.556% * 79.6739% (0.77 10.0 10.00 4.02 54.33) = 79.674% kept T HB VAL 41 - QG2 VAL 18 5.556% * 9.4119% (0.52 1.0 10.00 0.35 0.02) = 9.412% kept QB LYS+ 66 - QG1 VAL 41 5.556% * 3.1924% (0.95 1.0 1.00 0.65 0.54) = 3.192% kept QB LYS+ 65 - QG2 VAL 18 5.556% * 2.2677% (0.43 1.0 1.00 1.03 0.02) = 2.268% kept HB2 LEU 71 - QG1 VAL 41 5.556% * 1.9737% (0.58 1.0 1.00 0.66 1.17) = 1.974% kept QB LYS+ 102 - QG2 VAL 18 5.556% * 1.2289% (0.52 1.0 1.00 0.45 0.10) = 1.229% kept QB LYS+ 66 - QG2 VAL 18 5.556% * 1.1013% (0.65 1.0 1.00 0.33 0.36) = 1.101% kept HG12 ILE 103 - QG2 VAL 18 5.556% * 0.6397% (0.40 1.0 1.00 0.31 0.02) = 0.640% HG2 PRO 93 - QG1 VAL 41 5.556% * 0.1003% (0.97 1.0 1.00 0.02 0.02) = 0.100% QB LYS+ 102 - QG1 VAL 41 5.556% * 0.0797% (0.77 1.0 1.00 0.02 0.02) = 0.080% HG2 PRO 93 - QG2 VAL 18 5.556% * 0.0681% (0.66 1.0 1.00 0.02 0.02) = 0.068% QB LYS+ 65 - QG1 VAL 41 5.556% * 0.0651% (0.63 1.0 1.00 0.02 0.02) = 0.065% HG12 ILE 103 - QG1 VAL 41 5.556% * 0.0601% (0.58 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 71 - QG2 VAL 18 5.556% * 0.0408% (0.40 1.0 1.00 0.02 0.02) = 0.041% HG LEU 123 - QG1 VAL 41 5.556% * 0.0287% (0.28 1.0 1.00 0.02 0.52) = 0.029% HB3 PRO 52 - QG1 VAL 41 5.556% * 0.0287% (0.28 1.0 1.00 0.02 0.02) = 0.029% HG LEU 123 - QG2 VAL 18 5.556% * 0.0195% (0.19 1.0 1.00 0.02 0.02) = 0.019% HB3 PRO 52 - QG2 VAL 18 5.556% * 0.0195% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 2314 (1.49, 0.75, 22.78 ppm): 24 chemical-shift based assignments, quality = 0.422, support = 1.91, residual support = 4.78: HB3 LEU 40 - QG1 VAL 41 4.167% * 51.4159% (0.33 3.44 9.26) = 51.416% kept QG2 THR 26 - QG2 VAL 18 4.167% * 9.7253% (0.77 0.28 0.02) = 9.725% kept QG2 THR 26 - QG1 VAL 41 4.167% * 8.6003% (0.52 0.36 0.02) = 8.600% kept HG2 LYS+ 65 - QG2 VAL 18 4.167% * 7.3747% (0.68 0.24 0.02) = 7.375% kept HB3 LEU 40 - QG2 VAL 18 4.167% * 7.2168% (0.49 0.33 0.02) = 7.217% kept QB ALA 120 - QG2 VAL 18 4.167% * 6.3513% (0.24 0.58 0.02) = 6.351% kept HB2 LYS+ 74 - QG1 VAL 41 4.167% * 2.8338% (0.67 0.09 0.02) = 2.834% kept HG2 LYS+ 65 - QG1 VAL 41 4.167% * 2.0197% (0.46 0.10 0.02) = 2.020% kept QD LYS+ 66 - QG2 VAL 18 4.167% * 1.6029% (0.18 0.19 0.36) = 1.603% kept HB2 LYS+ 74 - QG2 VAL 18 4.167% * 0.8920% (0.99 0.02 0.14) = 0.892% HD2 LYS+ 121 - QG2 VAL 18 4.167% * 0.5261% (0.58 0.02 0.02) = 0.526% HD2 LYS+ 121 - QG1 VAL 41 4.167% * 0.3572% (0.40 0.02 0.02) = 0.357% HG LEU 115 - QG2 VAL 18 4.167% * 0.2203% (0.24 0.02 0.02) = 0.220% HG LEU 115 - QG1 VAL 41 4.167% * 0.1496% (0.17 0.02 0.02) = 0.150% QB ALA 120 - QG1 VAL 41 4.167% * 0.1496% (0.17 0.02 0.02) = 0.150% QD LYS+ 66 - QG1 VAL 41 4.167% * 0.1129% (0.12 0.02 0.54) = 0.113% HB2 LYS+ 74 - QD2 LEU 104 4.167% * 0.1067% (0.12 0.02 0.18) = 0.107% QG2 THR 26 - QD2 LEU 104 4.167% * 0.0834% (0.09 0.02 0.02) = 0.083% HG2 LYS+ 65 - QD2 LEU 104 4.167% * 0.0734% (0.08 0.02 0.02) = 0.073% HD2 LYS+ 121 - QD2 LEU 104 4.167% * 0.0629% (0.07 0.02 0.02) = 0.063% HB3 LEU 40 - QD2 LEU 104 4.167% * 0.0526% (0.06 0.02 0.02) = 0.053% HG LEU 115 - QD2 LEU 104 4.167% * 0.0264% (0.03 0.02 0.02) = 0.026% QB ALA 120 - QD2 LEU 104 4.167% * 0.0264% (0.03 0.02 0.02) = 0.026% QD LYS+ 66 - QD2 LEU 104 4.167% * 0.0199% (0.02 0.02 0.02) = 0.020% Peak 2315 (3.75, 0.75, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.708, support = 0.714, residual support = 0.792: T HA ALA 61 - QG2 VAL 18 11.111% * 60.0984% (0.81 10.00 0.73 0.82) = 60.098% kept T HA ALA 61 - QG1 VAL 41 11.111% * 39.3983% (0.55 10.00 0.70 0.76) = 39.398% kept HD2 PRO 68 - QG2 VAL 18 11.111% * 0.1970% (0.97 1.00 0.02 0.02) = 0.197% HD2 PRO 68 - QG1 VAL 41 11.111% * 0.1337% (0.66 1.00 0.02 0.02) = 0.134% HA VAL 24 - QG2 VAL 18 11.111% * 0.0719% (0.35 1.00 0.02 0.02) = 0.072% HA VAL 24 - QG1 VAL 41 11.111% * 0.0488% (0.24 1.00 0.02 0.02) = 0.049% HD2 PRO 68 - QD2 LEU 104 11.111% * 0.0236% (0.12 1.00 0.02 0.02) = 0.024% HA ALA 61 - QD2 LEU 104 11.111% * 0.0198% (0.10 1.00 0.02 0.02) = 0.020% HA VAL 24 - QD2 LEU 104 11.111% * 0.0086% (0.04 1.00 0.02 0.02) = 0.009% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2316 (4.86, 0.76, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.573, support = 3.34, residual support = 48.2: O T HA VAL 41 - QG1 VAL 41 16.667% * 88.6484% (0.53 10.0 10.00 3.65 54.33) = 88.648% kept HA PHE 45 - QG1 VAL 41 16.667% * 8.6158% (1.00 1.0 1.00 1.04 0.30) = 8.616% kept HA PHE 45 - QG2 VAL 18 16.667% * 2.0898% (0.68 1.0 1.00 0.37 0.02) = 2.090% kept T HA VAL 41 - QG2 VAL 18 16.667% * 0.6019% (0.36 1.0 10.00 0.02 0.02) = 0.602% HA HIS 122 - QG1 VAL 41 16.667% * 0.0263% (0.16 1.0 1.00 0.02 0.02) = 0.026% HA HIS 122 - QG2 VAL 18 16.667% * 0.0178% (0.11 1.0 1.00 0.02 0.02) = 0.018% Peak 2317 (7.29, 0.86, 22.91 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 0.57, residual support = 0.519: QD PHE 60 - QG1 VAL 18 33.333% * 54.6778% (1.00 0.50 0.66) = 54.678% kept HN LYS+ 66 - QG1 VAL 18 33.333% * 43.6263% (0.58 0.68 0.36) = 43.626% kept HN LYS+ 81 - QG1 VAL 18 33.333% * 1.6958% (0.77 0.02 0.02) = 1.696% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2318 (8.26, 0.86, 22.91 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 5.4, residual support = 65.5: HN VAL 18 - QG1 VAL 18 50.000% * 99.8693% (0.89 5.40 65.62) = 99.869% kept HN SER 13 - QG1 VAL 18 50.000% * 0.1307% (0.31 0.02 0.02) = 0.131% Peak 2319 (8.45, 0.86, 22.91 ppm): 4 chemical-shift based assignments, quality = 0.628, support = 0.923, residual support = 0.476: HN THR 46 - QG1 VAL 18 25.000% * 49.4113% (0.63 1.07 0.77) = 49.411% kept HN MET 92 - QG1 VAL 18 25.000% * 33.3597% (0.85 0.53 0.21) = 33.360% kept HN LYS+ 74 - QG1 VAL 18 25.000% * 16.9977% (0.18 1.26 0.14) = 16.998% kept HN ASP- 113 - QG1 VAL 18 25.000% * 0.2314% (0.16 0.02 0.02) = 0.231% Peak 2320 (8.92, 0.86, 22.91 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 4.28, residual support = 18.6: HN ILE 19 - QG1 VAL 18 100.000% *100.0000% (0.77 4.28 18.58) = 100.000% kept Peak 2321 (7.28, 0.75, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.684, support = 1.28, residual support = 0.586: QD PHE 60 - QG2 VAL 18 8.333% * 32.6611% (0.73 1.52 0.66) = 32.661% kept QD PHE 60 - QG1 VAL 41 8.333% * 26.4078% (0.49 1.81 0.77) = 26.408% kept HN LYS+ 66 - QG2 VAL 18 8.333% * 19.2802% (0.97 0.67 0.36) = 19.280% kept HN LYS+ 66 - QG1 VAL 41 8.333% * 18.0821% (0.66 0.93 0.54) = 18.082% kept QE PHE 59 - QG2 VAL 18 8.333% * 1.6561% (0.44 0.13 0.02) = 1.656% kept HN LYS+ 81 - QG1 VAL 41 8.333% * 1.3764% (0.21 0.22 0.02) = 1.376% kept HN LYS+ 81 - QG2 VAL 18 8.333% * 0.1861% (0.31 0.02 0.02) = 0.186% QE PHE 59 - QG1 VAL 41 8.333% * 0.1768% (0.30 0.02 0.02) = 0.177% HN LYS+ 66 - QD2 LEU 104 8.333% * 0.0687% (0.12 0.02 0.02) = 0.069% QD PHE 60 - QD2 LEU 104 8.333% * 0.0513% (0.09 0.02 0.02) = 0.051% QE PHE 59 - QD2 LEU 104 8.333% * 0.0312% (0.05 0.02 0.15) = 0.031% HN LYS+ 81 - QD2 LEU 104 8.333% * 0.0223% (0.04 0.02 0.13) = 0.022% Peak 2322 (8.28, 0.75, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.484, support = 4.43, residual support = 56.1: HN VAL 18 - QG2 VAL 18 11.111% * 85.4429% (0.49 5.12 65.62) = 85.443% kept HN GLU- 29 - QG2 VAL 18 11.111% * 8.5838% (0.63 0.40 0.02) = 8.584% kept HN VAL 18 - QG1 VAL 41 11.111% * 3.8833% (0.33 0.34 0.02) = 3.883% kept HN GLU- 29 - QD2 LEU 104 11.111% * 1.5298% (0.08 0.59 0.02) = 1.530% kept HN GLU- 29 - QG1 VAL 41 11.111% * 0.2935% (0.43 0.02 0.02) = 0.294% HN ASP- 86 - QG2 VAL 18 11.111% * 0.1261% (0.18 0.02 0.02) = 0.126% HN ASP- 86 - QG1 VAL 41 11.111% * 0.0856% (0.12 0.02 0.02) = 0.086% HN VAL 18 - QD2 LEU 104 11.111% * 0.0399% (0.06 0.02 0.02) = 0.040% HN ASP- 86 - QD2 LEU 104 11.111% * 0.0151% (0.02 0.02 0.02) = 0.015% Peak 2324 (8.99, 0.76, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2325 (6.61, 0.60, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.252, support = 4.77, residual support = 67.3: HN VAL 83 - QG1 VAL 83 33.333% * 90.1004% (0.23 5.27 74.65) = 90.100% kept HN TRP 49 - QG1 VAL 83 33.333% * 5.7630% (0.36 0.21 0.02) = 5.763% kept HN CYS 50 - QG1 VAL 83 33.333% * 4.1366% (0.66 0.08 0.02) = 4.137% kept Peak 2326 (1.09, 0.60, 22.78 ppm): 5 chemical-shift based assignments, quality = 0.326, support = 0.827, residual support = 1.15: QG2 VAL 24 - QG1 VAL 83 20.000% * 54.9154% (0.32 0.96 1.19) = 54.915% kept QG1 VAL 24 - QG1 VAL 83 20.000% * 41.2393% (0.32 0.72 1.19) = 41.239% kept QG1 VAL 107 - QG1 VAL 83 20.000% * 2.3440% (0.66 0.02 0.02) = 2.344% kept HD3 LYS+ 112 - QG1 VAL 83 20.000% * 0.7998% (0.23 0.02 0.02) = 0.800% HG LEU 63 - QG1 VAL 83 20.000% * 0.7015% (0.20 0.02 0.02) = 0.702% Peak 2327 (10.23, 0.60, 22.78 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2328 (2.36, 4.18, 60.49 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 0.068, residual support = 0.02: HB2 GLU- 100 - HA ILE 19 25.000% * 55.3492% (0.58 0.11 0.02) = 55.349% kept HB2 PRO 58 - HA ILE 19 25.000% * 15.8628% (0.89 0.02 0.02) = 15.863% kept HB3 PHE 97 - HA ILE 19 25.000% * 15.8628% (0.89 0.02 0.02) = 15.863% kept HB2 GLN 116 - HA ILE 19 25.000% * 12.9252% (0.73 0.02 0.02) = 12.925% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2330 (8.72, 4.18, 60.49 ppm): 2 chemical-shift based assignments, quality = 0.631, support = 4.94, residual support = 17.5: O HN ALA 20 - HA ILE 19 50.000% * 99.9708% (0.63 10.0 4.94 17.46) = 99.971% kept HN PHE 45 - HA ILE 19 50.000% * 0.0292% (0.18 1.0 0.02 0.02) = 0.029% Peak 2331 (8.93, 4.18, 60.49 ppm): 3 chemical-shift based assignments, quality = 0.962, support = 5.36, residual support = 100.6: O HN ILE 19 - HA ILE 19 33.333% * 99.0316% (0.97 10.0 5.41 101.63) = 99.032% kept HN VAL 42 - HA ILE 19 33.333% * 0.9188% (0.49 1.0 0.37 0.02) = 0.919% HN LEU 73 - HA ILE 19 33.333% * 0.0496% (0.49 1.0 0.02 5.71) = 0.050% Peak 2332 (5.57, 2.00, 37.78 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 2.27, residual support = 5.71: HA LEU 73 - HB ILE 19 100.000% *100.0000% (0.92 2.27 5.71) = 100.000% kept Peak 2333 (8.94, 2.00, 37.78 ppm): 4 chemical-shift based assignments, quality = 0.585, support = 4.21, residual support = 89.6: O HN ILE 19 - HB ILE 19 25.000% * 87.6204% (0.53 10.0 4.66 101.63) = 87.620% kept HN LEU 73 - HB ILE 19 25.000% * 9.5166% (0.95 1.0 1.22 5.71) = 9.517% kept HN VAL 42 - HB ILE 19 25.000% * 2.8371% (0.95 1.0 0.36 0.02) = 2.837% kept HN LYS+ 106 - HB ILE 19 25.000% * 0.0260% (0.16 1.0 0.02 0.02) = 0.026% Peak 2334 (1.27, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2335 (1.43, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2336 (2.01, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2337 (2.75, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2338 (4.18, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2339 (8.73, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2340 (8.94, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2341 (0.93, 1.25, 27.25 ppm): 6 chemical-shift based assignments, quality = 0.296, support = 0.0823, residual support = 0.256: QD2 LEU 67 - HG13 ILE 19 16.667% * 37.0801% (0.58 0.02 0.02) = 37.080% kept QD1 LEU 40 - HG LEU 71 16.667% * 28.6890% (0.04 0.24 0.84) = 28.689% kept QD1 LEU 40 - HG13 ILE 19 16.667% * 17.7056% (0.28 0.02 0.02) = 17.706% kept QG2 ILE 119 - HG13 ILE 19 16.667% * 10.0813% (0.16 0.02 0.02) = 10.081% kept QD2 LEU 67 - HG LEU 71 16.667% * 5.0666% (0.08 0.02 0.02) = 5.067% kept QG2 ILE 119 - HG LEU 71 16.667% * 1.3775% (0.02 0.02 0.14) = 1.377% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2342 (8.94, 1.25, 27.25 ppm): 8 chemical-shift based assignments, quality = 0.456, support = 4.07, residual support = 83.0: HN ILE 19 - HG13 ILE 19 12.500% * 81.3156% (0.53 4.66 101.63) = 81.316% kept HN LEU 73 - HG LEU 71 12.500% * 9.4793% (0.13 2.24 3.20) = 9.479% kept HN LYS+ 106 - HG13 ILE 19 12.500% * 3.8772% (0.16 0.75 0.02) = 3.877% kept HN ILE 19 - HG LEU 71 12.500% * 2.8845% (0.07 1.21 2.27) = 2.884% kept HN VAL 42 - HG LEU 71 12.500% * 1.1883% (0.13 0.28 0.10) = 1.188% kept HN VAL 42 - HG13 ILE 19 12.500% * 0.6205% (0.95 0.02 0.02) = 0.620% HN LEU 73 - HG13 ILE 19 12.500% * 0.6205% (0.95 0.02 5.71) = 0.620% HN LYS+ 106 - HG LEU 71 12.500% * 0.0141% (0.02 0.02 0.02) = 0.014% Peak 2343 (6.66, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2344 (7.18, 0.69, 58.05 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2345 (6.61, 0.74, 12.33 ppm): 4 chemical-shift based assignments, quality = 0.331, support = 0.567, residual support = 0.65: HE22 GLN 30 - QD1 ILE 19 25.000% * 37.7770% (0.14 0.96 1.20) = 37.777% kept HN VAL 83 - QD1 ILE 19 25.000% * 32.3975% (0.21 0.52 0.58) = 32.398% kept HN CYS 50 - QD1 ILE 19 25.000% * 26.7183% (0.73 0.13 0.02) = 26.718% kept HN TRP 49 - QD1 ILE 19 25.000% * 3.1072% (0.53 0.02 0.02) = 3.107% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2346 (8.98, 0.74, 12.33 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02: HN LYS+ 106 - QD1 ILE 19 100.000% *100.0000% (0.73 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2347 (4.18, 1.14, 19.25 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 3.3, residual support = 16.8: HA ILE 19 - QB ALA 20 25.000% * 96.4272% (0.89 3.42 17.46) = 96.427% kept HA CYS 53 - QB ALA 20 25.000% * 2.6310% (0.58 0.14 0.02) = 2.631% kept HA GLU- 25 - QB ALA 20 25.000% * 0.6334% (1.00 0.02 0.02) = 0.633% HA SER 82 - QB ALA 20 25.000% * 0.3083% (0.49 0.02 0.02) = 0.308% Peak 2348 (2.80, 1.14, 19.25 ppm): 4 chemical-shift based assignments, quality = 0.865, support = 0.0737, residual support = 0.5: QB CYS 50 - QB ALA 20 25.000% * 66.6344% (0.89 0.10 0.02) = 66.634% kept HB3 ASN 69 - QB ALA 20 25.000% * 14.1157% (0.95 0.02 0.02) = 14.116% kept QE LYS+ 74 - QB ALA 20 25.000% * 12.7011% (0.85 0.02 3.80) = 12.701% kept HB2 PHE 72 - QB ALA 20 25.000% * 6.5488% (0.44 0.02 0.02) = 6.549% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2349 (7.35, 1.14, 19.25 ppm): 6 chemical-shift based assignments, quality = 0.764, support = 1.37, residual support = 1.82: HD2 HIS 22 - QB ALA 20 16.667% * 50.2167% (0.89 1.64 2.33) = 50.217% kept HN THR 23 - QB ALA 20 16.667% * 24.7053% (0.40 1.81 2.54) = 24.705% kept HD1 TRP 49 - QB ALA 20 16.667% * 16.9268% (0.99 0.50 0.02) = 16.927% kept HN LEU 67 - QB ALA 20 16.667% * 4.6123% (0.85 0.16 0.02) = 4.612% kept QE PHE 95 - QB ALA 20 16.667% * 3.2657% (0.35 0.27 0.37) = 3.266% kept HD21 ASN 35 - QB ALA 20 16.667% * 0.2733% (0.40 0.02 0.02) = 0.273% Peak 2350 (7.93, 1.14, 19.25 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 3.39, residual support = 14.1: HN CYS 21 - QB ALA 20 25.000% * 99.3263% (0.92 3.41 14.22) = 99.326% kept HN LYS+ 33 - QB ALA 20 25.000% * 0.3072% (0.49 0.02 0.02) = 0.307% HN ILE 119 - QB ALA 20 25.000% * 0.2503% (0.40 0.02 0.02) = 0.250% HN ILE 89 - QB ALA 20 25.000% * 0.1161% (0.18 0.02 0.02) = 0.116% Peak 2351 (8.73, 1.14, 19.25 ppm): 3 chemical-shift based assignments, quality = 0.183, support = 3.54, residual support = 14.3: O HN ALA 20 - QB ALA 20 33.333% * 99.4673% (0.18 10.0 3.56 14.41) = 99.467% kept HN PHE 45 - QB ALA 20 33.333% * 0.3410% (0.63 1.0 0.02 0.02) = 0.341% HN ALA 110 - QB ALA 20 33.333% * 0.1917% (0.35 1.0 0.02 0.02) = 0.192% Peak 2352 (1.84, 3.08, 28.30 ppm): 11 chemical-shift based assignments, quality = 0.83, support = 0.92, residual support = 0.757: HB3 PRO 52 - HB2 CYS 21 9.091% * 31.4832% (0.97 1.06 0.88) = 31.483% kept HG LEU 123 - HB2 CYS 21 9.091% * 31.4832% (0.97 1.06 0.88) = 31.483% kept HG12 ILE 103 - HB2 CYS 21 9.091% * 19.9614% (0.73 0.90 0.58) = 19.961% kept HB VAL 41 - HB2 CYS 21 9.091% * 6.8675% (0.53 0.42 0.73) = 6.868% kept HB ILE 103 - HB2 CYS 21 9.091% * 6.7047% (0.40 0.55 0.58) = 6.705% kept QB LYS+ 66 - HB2 CYS 21 9.091% * 1.8148% (0.31 0.19 0.02) = 1.815% kept HG3 PRO 68 - HB2 CYS 21 9.091% * 1.0512% (0.44 0.08 0.02) = 1.051% kept HG2 ARG+ 54 - HB2 CYS 21 9.091% * 0.2161% (0.35 0.02 0.02) = 0.216% HB3 ASP- 105 - HB2 CYS 21 9.091% * 0.1919% (0.31 0.02 0.02) = 0.192% QB LYS+ 33 - HB2 CYS 21 9.091% * 0.1295% (0.21 0.02 0.02) = 0.129% HB3 GLN 90 - HB2 CYS 21 9.091% * 0.0965% (0.16 0.02 0.02) = 0.096% Peak 2353 (0.57, 3.08, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.802, support = 1.78, residual support = 3.06: QD2 LEU 63 - HB2 CYS 21 16.667% * 54.8660% (0.89 2.36 3.62) = 54.866% kept QD1 LEU 63 - HB2 CYS 21 16.667% * 23.5739% (0.73 1.24 3.62) = 23.574% kept QD1 LEU 73 - HB2 CYS 21 16.667% * 18.7178% (0.73 0.99 1.08) = 18.718% kept QG2 VAL 41 - HB2 CYS 21 16.667% * 2.5324% (0.24 0.40 0.73) = 2.532% kept QD2 LEU 115 - HB2 CYS 21 16.667% * 0.1646% (0.31 0.02 0.02) = 0.165% QD2 LEU 80 - HB2 CYS 21 16.667% * 0.1453% (0.28 0.02 0.02) = 0.145% Peak 2354 (4.60, 3.08, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.876, support = 2.4, residual support = 27.0: O T HA CYS 21 - HB2 CYS 21 20.000% * 96.0896% (0.89 10.0 10.00 2.48 28.12) = 96.090% kept HA TRP 49 - HB2 CYS 21 20.000% * 1.9531% (0.68 1.0 1.00 0.53 0.02) = 1.953% kept HA CYS 50 - HB2 CYS 21 20.000% * 1.3487% (0.44 1.0 1.00 0.57 0.02) = 1.349% kept HA LYS+ 102 - HB2 CYS 21 20.000% * 0.5561% (0.97 1.0 1.00 0.11 0.13) = 0.556% HA1 GLY 109 - HB2 CYS 21 20.000% * 0.0525% (0.49 1.0 1.00 0.02 0.02) = 0.052% Peak 2355 (7.35, 3.08, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.799, support = 2.82, residual support = 4.2: HD2 HIS 22 - HB2 CYS 21 16.667% * 64.2322% (0.89 3.55 5.70) = 64.232% kept HN THR 23 - HB2 CYS 21 16.667% * 19.5348% (0.40 2.42 2.75) = 19.535% kept HD1 TRP 49 - HB2 CYS 21 16.667% * 9.8452% (0.99 0.49 0.02) = 9.845% kept HN LEU 67 - HB2 CYS 21 16.667% * 6.0824% (0.85 0.35 0.02) = 6.082% kept HD21 ASN 35 - HB2 CYS 21 16.667% * 0.1612% (0.40 0.02 0.02) = 0.161% QE PHE 95 - HB2 CYS 21 16.667% * 0.1441% (0.35 0.02 0.02) = 0.144% Peak 2356 (7.93, 3.08, 28.30 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 3.35, residual support = 28.1: O HN CYS 21 - HB2 CYS 21 25.000% * 99.8845% (0.92 10.0 3.35 28.12) = 99.885% kept HN LYS+ 33 - HB2 CYS 21 25.000% * 0.0527% (0.49 1.0 0.02 0.02) = 0.053% HN ILE 119 - HB2 CYS 21 25.000% * 0.0429% (0.40 1.0 0.02 0.02) = 0.043% HN ILE 89 - HB2 CYS 21 25.000% * 0.0199% (0.18 1.0 0.02 0.32) = 0.020% Peak 2358 (1.84, 2.60, 28.30 ppm): 11 chemical-shift based assignments, quality = 0.473, support = 1.03, residual support = 0.743: HB3 PRO 52 - HB3 CYS 21 9.091% * 28.8165% (0.57 1.08 0.88) = 28.816% kept HG LEU 123 - HB3 CYS 21 9.091% * 28.8165% (0.57 1.08 0.88) = 28.816% kept HG12 ILE 103 - HB3 CYS 21 9.091% * 25.3975% (0.42 1.27 0.58) = 25.397% kept HB ILE 103 - HB3 CYS 21 9.091% * 7.5956% (0.23 0.70 0.58) = 7.596% kept HB VAL 41 - HB3 CYS 21 9.091% * 6.2094% (0.31 0.42 0.73) = 6.209% kept QB LYS+ 66 - HB3 CYS 21 9.091% * 1.6410% (0.18 0.19 0.02) = 1.641% kept HG3 PRO 68 - HB3 CYS 21 9.091% * 0.9505% (0.26 0.08 0.02) = 0.951% HG2 ARG+ 54 - HB3 CYS 21 9.091% * 0.1953% (0.21 0.02 0.02) = 0.195% HB3 ASP- 105 - HB3 CYS 21 9.091% * 0.1735% (0.18 0.02 0.02) = 0.173% QB LYS+ 33 - HB3 CYS 21 9.091% * 0.1170% (0.12 0.02 0.02) = 0.117% HB3 GLN 90 - HB3 CYS 21 9.091% * 0.0872% (0.09 0.02 0.02) = 0.087% Peak 2359 (1.49, 2.60, 28.30 ppm): 8 chemical-shift based assignments, quality = 0.486, support = 0.768, residual support = 0.64: QG2 THR 26 - HB3 CYS 21 12.500% * 62.7221% (0.47 1.03 0.50) = 62.722% kept HB2 LYS+ 74 - HB3 CYS 21 12.500% * 29.7012% (0.58 0.40 1.10) = 29.701% kept HB3 LEU 40 - HB3 CYS 21 12.500% * 3.6626% (0.26 0.11 0.02) = 3.663% kept QD LYS+ 66 - HB3 CYS 21 12.500% * 1.2458% (0.12 0.08 0.02) = 1.246% kept HG2 LYS+ 65 - HB3 CYS 21 12.500% * 1.0873% (0.42 0.02 0.02) = 1.087% kept HD2 LYS+ 121 - HB3 CYS 21 12.500% * 0.9445% (0.37 0.02 0.02) = 0.945% QB ALA 120 - HB3 CYS 21 12.500% * 0.3182% (0.12 0.02 0.02) = 0.318% HG LEU 115 - HB3 CYS 21 12.500% * 0.3182% (0.12 0.02 0.02) = 0.318% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2360 (0.57, 2.60, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.464, support = 1.82, residual support = 2.95: QD2 LEU 63 - HB3 CYS 21 16.667% * 51.3964% (0.52 2.36 3.62) = 51.396% kept QD1 LEU 73 - HB3 CYS 21 16.667% * 23.3780% (0.42 1.32 1.08) = 23.378% kept QD1 LEU 63 - HB3 CYS 21 16.667% * 22.5650% (0.42 1.27 3.62) = 22.565% kept QG2 VAL 41 - HB3 CYS 21 16.667% * 2.3707% (0.14 0.40 0.73) = 2.371% kept QD2 LEU 115 - HB3 CYS 21 16.667% * 0.1541% (0.18 0.02 0.02) = 0.154% QD2 LEU 80 - HB3 CYS 21 16.667% * 0.1360% (0.16 0.02 0.02) = 0.136% Peak 2361 (7.93, 2.60, 28.30 ppm): 4 chemical-shift based assignments, quality = 0.537, support = 3.36, residual support = 28.1: O HN CYS 21 - HB3 CYS 21 25.000% * 99.8845% (0.54 10.0 3.36 28.12) = 99.885% kept HN LYS+ 33 - HB3 CYS 21 25.000% * 0.0527% (0.28 1.0 0.02 0.02) = 0.053% HN ILE 119 - HB3 CYS 21 25.000% * 0.0429% (0.23 1.0 0.02 0.02) = 0.043% HN ILE 89 - HB3 CYS 21 25.000% * 0.0199% (0.11 1.0 0.02 0.32) = 0.020% Peak 2362 (7.74, 2.60, 28.30 ppm): 7 chemical-shift based assignments, quality = 0.336, support = 0.383, residual support = 0.262: HN TRP 27 - HB3 CYS 21 14.286% * 64.0549% (0.40 0.43 0.36) = 64.055% kept HN LYS+ 102 - HB3 CYS 21 14.286% * 23.8529% (0.14 0.44 0.13) = 23.853% kept HN THR 39 - HB3 CYS 21 14.286% * 4.0656% (0.54 0.02 0.02) = 4.066% kept HD1 TRP 87 - HB3 CYS 21 14.286% * 3.9249% (0.52 0.02 0.02) = 3.925% kept HN GLU- 36 - HB3 CYS 21 14.286% * 1.9413% (0.26 0.02 0.02) = 1.941% kept HN ALA 91 - HB3 CYS 21 14.286% * 1.2245% (0.16 0.02 0.02) = 1.225% kept HN ALA 61 - HB3 CYS 21 14.286% * 0.9359% (0.12 0.02 0.02) = 0.936% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2363 (7.35, 2.60, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.473, support = 3.03, residual support = 4.31: HD2 HIS 22 - HB3 CYS 21 16.667% * 67.6983% (0.52 3.87 5.70) = 67.698% kept HN THR 23 - HB3 CYS 21 16.667% * 16.2089% (0.23 2.08 2.75) = 16.209% kept HD1 TRP 49 - HB3 CYS 21 16.667% * 9.4945% (0.57 0.49 0.02) = 9.494% kept HN LEU 67 - HB3 CYS 21 16.667% * 5.8652% (0.50 0.35 0.02) = 5.865% kept HD21 ASN 35 - HB3 CYS 21 16.667% * 0.5940% (0.23 0.08 0.02) = 0.594% QE PHE 95 - HB3 CYS 21 16.667% * 0.1390% (0.21 0.02 0.02) = 0.139% Peak 2364 (4.60, 2.60, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.514, support = 2.38, residual support = 26.4: O T HA CYS 21 - HB3 CYS 21 20.000% * 94.0308% (0.52 10.0 10.00 2.50 28.12) = 94.031% kept HA LYS+ 102 - HB3 CYS 21 20.000% * 2.6118% (0.57 1.0 1.00 0.51 0.13) = 2.612% kept HA TRP 49 - HB3 CYS 21 20.000% * 1.9547% (0.40 1.0 1.00 0.55 0.02) = 1.955% kept HA CYS 50 - HB3 CYS 21 20.000% * 1.3514% (0.26 1.0 1.00 0.58 0.02) = 1.351% kept HA1 GLY 109 - HB3 CYS 21 20.000% * 0.0514% (0.28 1.0 1.00 0.02 0.02) = 0.051% Peak 2365 (7.35, 3.50, 29.58 ppm): 6 chemical-shift based assignments, quality = 0.603, support = 2.78, residual support = 31.0: O HD2 HIS 22 - HB2 HIS 22 16.667% * 88.9061% (0.65 10.0 2.61 33.07) = 88.906% kept HN THR 23 - HB2 HIS 22 16.667% * 9.4923% (0.29 1.0 4.80 16.70) = 9.492% kept HD1 TRP 49 - HB2 HIS 22 16.667% * 0.8590% (0.72 1.0 0.17 0.86) = 0.859% HN LEU 67 - HB2 HIS 22 16.667% * 0.6677% (0.62 1.0 0.16 0.02) = 0.668% HD21 ASN 35 - HB2 HIS 22 16.667% * 0.0396% (0.29 1.0 0.02 0.02) = 0.040% QE PHE 95 - HB2 HIS 22 16.667% * 0.0354% (0.26 1.0 0.02 0.02) = 0.035% Peak 2366 (7.36, 3.24, 29.58 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 3.04, residual support = 32.8: O HD2 HIS 22 - HB3 HIS 22 25.000% * 99.1434% (0.92 10.0 3.07 33.07) = 99.143% kept HD1 TRP 49 - HB3 HIS 22 25.000% * 0.7228% (0.77 1.0 0.17 0.86) = 0.723% HD21 ASN 35 - HB3 HIS 22 25.000% * 0.0957% (0.89 1.0 0.02 0.02) = 0.096% HN LEU 67 - HB3 HIS 22 25.000% * 0.0381% (0.35 1.0 0.02 0.02) = 0.038% Peak 2367 (1.30, 3.24, 29.58 ppm): 5 chemical-shift based assignments, quality = 0.65, support = 1.83, residual support = 5.39: QG2 THR 77 - HB3 HIS 22 20.000% * 43.2843% (0.99 1.18 0.93) = 43.284% kept QG2 THR 23 - HB3 HIS 22 20.000% * 28.9606% (0.21 3.66 16.70) = 28.961% kept QB ALA 88 - HB3 HIS 22 20.000% * 24.1112% (0.63 1.03 0.61) = 24.111% kept HG2 LYS+ 38 - HB3 HIS 22 20.000% * 3.5259% (0.24 0.39 0.02) = 3.526% kept HG2 LYS+ 99 - HB3 HIS 22 20.000% * 0.1180% (0.16 0.02 0.02) = 0.118% Peak 2368 (7.03, 3.44, 70.99 ppm): 2 chemical-shift based assignments, quality = 0.623, support = 1.91, residual support = 4.16: QD PHE 95 - HB THR 46 50.000% * 55.7487% (0.92 1.01 1.78) = 55.749% kept HN ALA 47 - HB THR 46 50.000% * 44.2513% (0.24 3.04 7.16) = 44.251% kept Peak 2369 (8.47, 3.44, 70.99 ppm): 5 chemical-shift based assignments, quality = 0.808, support = 2.79, residual support = 25.1: O HN THR 46 - HB THR 46 20.000% * 99.2129% (0.81 10.0 2.81 25.27) = 99.213% kept HN MET 92 - HB THR 46 20.000% * 0.5437% (0.58 1.0 0.15 0.02) = 0.544% HN LYS+ 74 - HB THR 46 20.000% * 0.1183% (0.97 1.0 0.02 0.02) = 0.118% HN MET 11 - HB THR 46 20.000% * 0.0768% (0.63 1.0 0.02 0.02) = 0.077% HN LYS+ 112 - HB THR 46 20.000% * 0.0483% (0.40 1.0 0.02 0.64) = 0.048% Peak 2370 (1.31, 3.50, 29.58 ppm): 7 chemical-shift based assignments, quality = 0.611, support = 0.952, residual support = 0.752: QB ALA 88 - HB2 HIS 22 14.286% * 48.8600% (0.73 0.82 0.61) = 48.860% kept QG2 THR 77 - HB2 HIS 22 14.286% * 48.6522% (0.53 1.13 0.93) = 48.652% kept HG2 LYS+ 38 - HB2 HIS 22 14.286% * 0.9157% (0.56 0.02 0.02) = 0.916% HG2 LYS+ 99 - HB2 HIS 22 14.286% * 0.7485% (0.46 0.02 0.02) = 0.748% HG2 LYS+ 111 - HB2 HIS 22 14.286% * 0.3738% (0.23 0.02 0.02) = 0.374% HB2 LEU 31 - HB2 HIS 22 14.286% * 0.2894% (0.18 0.02 0.02) = 0.289% HB3 LEU 80 - HB2 HIS 22 14.286% * 0.1606% (0.10 0.02 0.02) = 0.161% Peak 2372 (7.93, 4.63, 51.23 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 3.29, residual support = 14.2: O HN CYS 21 - HA ALA 20 25.000% * 99.8845% (0.92 10.0 3.29 14.22) = 99.885% kept HN LYS+ 33 - HA ALA 20 25.000% * 0.0527% (0.49 1.0 0.02 0.02) = 0.053% HN ILE 119 - HA ALA 20 25.000% * 0.0429% (0.40 1.0 0.02 0.02) = 0.043% HN ILE 89 - HA ALA 20 25.000% * 0.0199% (0.18 1.0 0.02 0.02) = 0.020% Peak 2373 (5.03, 4.63, 51.23 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 0.02, residual support = 0.02: HA ASP- 76 - HA ALA 20 100.000% *100.0000% (0.40 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2374 (2.40, 4.68, 56.96 ppm): 5 chemical-shift based assignments, quality = 0.374, support = 0.396, residual support = 0.286: QE LYS+ 112 - HA HIS 22 20.000% * 76.5129% (0.29 0.51 0.35) = 76.513% kept QG GLN 32 - HA HIS 22 20.000% * 8.1243% (0.79 0.02 0.02) = 8.124% kept HB VAL 107 - HA HIS 22 20.000% * 7.7435% (0.75 0.02 0.22) = 7.743% kept QG GLU- 79 - HA HIS 22 20.000% * 4.6258% (0.45 0.02 0.02) = 4.626% kept HB3 PHE 45 - HA HIS 22 20.000% * 2.9935% (0.29 0.02 0.02) = 2.994% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2375 (1.67, 4.68, 56.96 ppm): 10 chemical-shift based assignments, quality = 0.499, support = 0.0818, residual support = 0.02: HD2 LYS+ 111 - HA HIS 22 10.000% * 35.2008% (0.37 1.00 0.20 0.02) = 35.201% kept T HB2 LEU 73 - HA HIS 22 10.000% * 14.3686% (0.15 10.00 0.02 0.02) = 14.369% kept QD LYS+ 102 - HA HIS 22 10.000% * 8.6232% (0.88 1.00 0.02 0.02) = 8.623% kept QD LYS+ 38 - HA HIS 22 10.000% * 8.0886% (0.82 1.00 0.02 0.02) = 8.089% kept HG3 PRO 93 - HA HIS 22 10.000% * 7.0038% (0.71 1.00 0.02 0.02) = 7.004% kept HB VAL 83 - HA HIS 22 10.000% * 6.5907% (0.67 1.00 0.02 0.02) = 6.591% kept HB2 LEU 123 - HA HIS 22 10.000% * 6.5907% (0.67 1.00 0.02 0.02) = 6.591% kept QD LYS+ 65 - HA HIS 22 10.000% * 5.7251% (0.58 1.00 0.02 0.02) = 5.725% kept HB2 LYS+ 121 - HA HIS 22 10.000% * 5.2849% (0.54 1.00 0.02 0.02) = 5.285% kept HB3 MET 92 - HA HIS 22 10.000% * 2.5235% (0.26 1.00 0.02 0.02) = 2.524% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2376 (8.91, 4.68, 56.96 ppm): 1 chemical-shift based assignment, quality = 0.257, support = 0.02, residual support = 0.02: HN ILE 19 - HA HIS 22 100.000% *100.0000% (0.26 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2377 (0.51, 4.68, 56.96 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2378 (9.20, 4.83, 58.62 ppm): 1 chemical-shift based assignment, quality = 0.527, support = 4.11, residual support = 13.9: O HN VAL 24 - HA THR 23 100.000% *100.0000% (0.53 10.0 4.11 13.94) = 100.000% kept Peak 2379 (9.23, 4.81, 31.51 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2380 (7.35, 1.28, 21.81 ppm): 7 chemical-shift based assignments, quality = 0.666, support = 3.24, residual support = 13.0: HN THR 23 - QG2 THR 23 14.286% * 59.3031% (0.63 4.20 12.66) = 59.303% kept HD2 HIS 22 - QG2 THR 23 14.286% * 33.1812% (0.68 2.18 16.70) = 33.181% kept HN LEU 67 - QG2 THR 23 14.286% * 6.7063% (0.99 0.30 0.02) = 6.706% kept HD1 TRP 49 - QG2 THR 23 14.286% * 0.3827% (0.85 0.02 0.02) = 0.383% QE PHE 95 - QG2 THR 23 14.286% * 0.2607% (0.58 0.02 0.02) = 0.261% HD21 ASN 35 - QG2 THR 23 14.286% * 0.0951% (0.21 0.02 0.02) = 0.095% QD PHE 55 - QG2 THR 23 14.286% * 0.0709% (0.16 0.02 0.02) = 0.071% Peak 2381 (2.46, 3.81, 65.84 ppm): 4 chemical-shift based assignments, quality = 0.295, support = 1.5, residual support = 3.23: HB3 ASP- 86 - HA VAL 83 25.000% * 87.5725% (0.21 1.70 3.61) = 87.572% kept HG3 MET 96 - HA VAL 83 25.000% * 4.8353% (1.00 0.02 1.49) = 4.835% kept HG2 GLU- 36 - HA VAL 83 25.000% * 4.3092% (0.89 0.02 0.02) = 4.309% kept HB3 ASP- 62 - HA VAL 83 25.000% * 3.2830% (0.68 0.02 0.02) = 3.283% kept Peak 2382 (2.93, 3.81, 65.84 ppm): 6 chemical-shift based assignments, quality = 0.925, support = 1.57, residual support = 2.65: HB2 ASP- 86 - HA VAL 83 16.667% * 72.7369% (0.97 2.00 3.61) = 72.737% kept HB2 ASN 28 - HA VAL 83 16.667% * 18.3383% (0.85 0.57 0.11) = 18.338% kept HB2 ASN 35 - HA VAL 83 16.667% * 5.4998% (0.63 0.23 0.02) = 5.500% kept QE LYS+ 65 - HA VAL 83 16.667% * 2.7627% (0.97 0.08 0.02) = 2.763% kept QE LYS+ 33 - HA VAL 83 16.667% * 0.5438% (0.73 0.02 0.02) = 0.544% HB2 ASP- 78 - HA VAL 83 16.667% * 0.1186% (0.16 0.02 0.02) = 0.119% Peak 2383 (6.61, 3.81, 65.84 ppm): 3 chemical-shift based assignments, quality = 0.437, support = 4.54, residual support = 73.2: O HN VAL 83 - HA VAL 83 33.333% * 98.0240% (0.44 10.0 4.62 74.65) = 98.024% kept HN TRP 49 - HA VAL 83 33.333% * 1.7647% (0.28 1.0 0.57 0.02) = 1.765% kept HN CYS 50 - HA VAL 83 33.333% * 0.2113% (0.95 1.0 0.02 0.02) = 0.211% Peak 2384 (8.31, 3.81, 65.84 ppm): 6 chemical-shift based assignments, quality = 0.883, support = 1.6, residual support = 3.15: HN ASP- 86 - HA VAL 83 16.667% * 87.3121% (0.92 1.81 3.61) = 87.312% kept HN GLU- 29 - HA VAL 83 16.667% * 6.2758% (0.44 0.27 0.02) = 6.276% kept HN GLN 30 - HA VAL 83 16.667% * 5.0596% (0.97 0.10 0.02) = 5.060% kept HN GLU- 14 - HA VAL 83 16.667% * 0.6086% (0.58 0.02 0.02) = 0.609% HE1 HIS 122 - HA VAL 83 16.667% * 0.4146% (0.40 0.02 0.02) = 0.415% HN LYS+ 99 - HA VAL 83 16.667% * 0.3293% (0.31 0.02 0.02) = 0.329% Peak 2385 (7.74, 3.81, 65.84 ppm): 7 chemical-shift based assignments, quality = 0.644, support = 2.45, residual support = 4.81: HD1 TRP 87 - HA VAL 83 14.286% * 59.3167% (0.63 3.57 6.92) = 59.317% kept HN TRP 27 - HA VAL 83 14.286% * 19.9034% (0.92 0.82 1.56) = 19.903% kept HN ALA 91 - HA VAL 83 14.286% * 12.5617% (0.53 0.89 0.65) = 12.562% kept HE3 TRP 87 - HA VAL 83 14.286% * 4.4934% (0.16 1.08 6.92) = 4.493% kept HN ALA 61 - HA VAL 83 14.286% * 1.8713% (0.44 0.16 0.02) = 1.871% kept HN GLU- 36 - HA VAL 83 14.286% * 1.4958% (0.21 0.27 0.02) = 1.496% kept HN THR 39 - HA VAL 83 14.286% * 0.3576% (0.68 0.02 0.02) = 0.358% Peak 2386 (0.57, 3.77, 66.14 ppm): 6 chemical-shift based assignments, quality = 0.718, support = 1.24, residual support = 1.43: QD2 LEU 63 - HA VAL 24 16.667% * 38.5397% (0.89 1.49 1.71) = 38.540% kept QD1 LEU 63 - HA VAL 24 16.667% * 25.5379% (0.73 1.21 1.71) = 25.538% kept QD1 LEU 73 - HA VAL 24 16.667% * 19.7401% (0.73 0.94 0.42) = 19.740% kept QD2 LEU 80 - HA VAL 24 16.667% * 11.0689% (0.28 1.37 2.27) = 11.069% kept QD2 LEU 115 - HA VAL 24 16.667% * 3.9061% (0.31 0.43 0.02) = 3.906% kept QG2 VAL 41 - HA VAL 24 16.667% * 1.2072% (0.24 0.17 0.02) = 1.207% kept Peak 2387 (2.11, 3.77, 66.14 ppm): 4 chemical-shift based assignments, quality = 0.99, support = 3.39, residual support = 56.2: O T HB VAL 24 - HA VAL 24 25.000% * 99.0148% (1.00 10.0 10.00 3.43 56.79) = 99.015% kept T HB2 PRO 68 - HA VAL 24 25.000% * 0.8068% (0.81 1.0 10.00 0.02 0.02) = 0.807% QB GLN 32 - HA VAL 24 25.000% * 0.0978% (0.99 1.0 1.00 0.02 0.02) = 0.098% HG3 GLU- 100 - HA VAL 24 25.000% * 0.0807% (0.81 1.0 1.00 0.02 0.02) = 0.081% Peak 2388 (2.99, 3.77, 66.14 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 2.84, residual support = 16.0: T HB3 TRP 27 - HA VAL 24 16.667% * 99.7672% (1.00 10.00 2.84 16.05) = 99.767% kept HB2 PHE 97 - HA VAL 24 16.667% * 0.0988% (0.99 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HA VAL 24 16.667% * 0.0535% (0.53 1.00 0.02 0.02) = 0.053% QE LYS+ 99 - HA VAL 24 16.667% * 0.0355% (0.35 1.00 0.02 0.02) = 0.035% HB3 PHE 60 - HA VAL 24 16.667% * 0.0315% (0.31 1.00 0.02 0.02) = 0.032% QE LYS+ 38 - HA VAL 24 16.667% * 0.0135% (0.14 1.00 0.02 0.02) = 0.014% Peak 2389 (9.22, 3.77, 66.14 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.97, residual support = 56.8: O HN VAL 24 - HA VAL 24 100.000% *100.0000% (0.95 10.0 3.97 56.79) = 100.000% kept Peak 2390 (8.79, 3.77, 66.14 ppm): 3 chemical-shift based assignments, quality = 0.839, support = 5.07, residual support = 26.5: O HN GLU- 25 - HA VAL 24 33.333% * 89.5272% (0.89 10.0 5.06 28.72) = 89.527% kept HN ASN 28 - HA VAL 24 33.333% * 10.3801% (0.40 1.0 5.21 7.18) = 10.380% kept HN ASP- 44 - HA VAL 24 33.333% * 0.0927% (0.92 1.0 0.02 0.02) = 0.093% Peak 2391 (7.75, 3.77, 66.14 ppm): 5 chemical-shift based assignments, quality = 0.353, support = 2.69, residual support = 14.9: HN TRP 27 - HA VAL 24 20.000% * 93.1288% (0.31 2.89 16.05) = 93.129% kept HD1 TRP 87 - HA VAL 24 20.000% * 2.0214% (0.99 0.02 0.02) = 2.021% kept HN THR 39 - HA VAL 24 20.000% * 1.9893% (0.97 0.02 0.02) = 1.989% kept HN GLU- 36 - HA VAL 24 20.000% * 1.6683% (0.81 0.02 0.02) = 1.668% kept HN LYS+ 102 - HA VAL 24 20.000% * 1.1922% (0.58 0.02 0.02) = 1.192% kept Peak 2392 (1.11, 2.11, 32.16 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 2.97, residual support = 56.3: O T QG1 VAL 24 - HB VAL 24 10.000% * 99.0581% (0.97 10.0 10.00 3.00 56.79) = 99.058% kept T QG1 VAL 24 - HB2 PRO 68 10.000% * 0.5504% (0.54 1.0 10.00 0.02 0.02) = 0.550% HD3 LYS+ 112 - HB VAL 24 10.000% * 0.1020% (1.00 1.0 1.00 0.02 0.02) = 0.102% QG1 VAL 107 - HB VAL 24 10.000% * 0.0643% (0.63 1.0 1.00 0.02 0.02) = 0.064% HD3 LYS+ 112 - HB2 PRO 68 10.000% * 0.0567% (0.56 1.0 1.00 0.02 0.02) = 0.057% HB3 LEU 31 - HB VAL 24 10.000% * 0.0449% (0.44 1.0 1.00 0.02 0.02) = 0.045% HG13 ILE 119 - HB VAL 24 10.000% * 0.0404% (0.40 1.0 1.00 0.02 0.02) = 0.040% QG1 VAL 107 - HB2 PRO 68 10.000% * 0.0357% (0.35 1.0 1.00 0.02 0.02) = 0.036% HB3 LEU 31 - HB2 PRO 68 10.000% * 0.0250% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG13 ILE 119 - HB2 PRO 68 10.000% * 0.0225% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 2393 (1.07, 2.11, 32.16 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 2.56, residual support = 56.6: O QG2 VAL 24 - HB VAL 24 16.667% * 99.7103% (1.00 10.0 2.57 56.79) = 99.710% kept HG LEU 63 - HB VAL 24 16.667% * 0.0972% (0.97 1.0 0.02 1.71) = 0.097% QG2 VAL 24 - HB2 PRO 68 16.667% * 0.0554% (0.55 1.0 0.02 0.02) = 0.055% HG LEU 63 - HB2 PRO 68 16.667% * 0.0540% (0.54 1.0 0.02 0.02) = 0.054% HG3 LYS+ 112 - HB VAL 24 16.667% * 0.0534% (0.53 1.0 0.02 0.02) = 0.053% HG3 LYS+ 112 - HB2 PRO 68 16.667% * 0.0297% (0.30 1.0 0.02 0.02) = 0.030% Peak 2394 (0.60, 2.11, 32.16 ppm): 12 chemical-shift based assignments, quality = 0.638, support = 1.04, residual support = 1.33: QG1 VAL 83 - HB VAL 24 8.333% * 36.2963% (0.81 1.25 1.19) = 36.296% kept QD2 LEU 80 - HB VAL 24 8.333% * 27.9585% (0.73 1.08 2.27) = 27.958% kept QD1 LEU 63 - HB VAL 24 8.333% * 12.8749% (0.28 1.30 1.71) = 12.875% kept QD2 LEU 115 - HB VAL 24 8.333% * 10.2006% (0.68 0.42 0.02) = 10.201% kept QD1 LEU 73 - HB VAL 24 8.333% * 8.5497% (0.28 0.86 0.42) = 8.550% kept QG1 VAL 83 - HB2 PRO 68 8.333% * 2.2851% (0.45 0.14 0.02) = 2.285% kept QD1 LEU 104 - HB VAL 24 8.333% * 0.6789% (0.95 0.02 0.02) = 0.679% QD1 LEU 104 - HB2 PRO 68 8.333% * 0.3773% (0.53 0.02 0.02) = 0.377% QD2 LEU 80 - HB2 PRO 68 8.333% * 0.2883% (0.40 0.02 0.02) = 0.288% QD2 LEU 115 - HB2 PRO 68 8.333% * 0.2696% (0.38 0.02 0.02) = 0.270% QD1 LEU 63 - HB2 PRO 68 8.333% * 0.1104% (0.15 0.02 0.02) = 0.110% QD1 LEU 73 - HB2 PRO 68 8.333% * 0.1104% (0.15 0.02 0.02) = 0.110% Peak 2395 (3.77, 2.11, 32.16 ppm): 4 chemical-shift based assignments, quality = 0.849, support = 3.4, residual support = 56.4: O T HA VAL 24 - HB VAL 24 25.000% * 99.2938% (0.85 10.0 10.00 3.43 56.79) = 99.294% kept T HA VAL 24 - HB2 PRO 68 25.000% * 0.5517% (0.48 1.0 10.00 0.02 0.02) = 0.552% HA LYS+ 38 - HB VAL 24 25.000% * 0.0993% (0.85 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 38 - HB2 PRO 68 25.000% * 0.0552% (0.48 1.0 1.00 0.02 0.02) = 0.055% Peak 2396 (2.10, 1.10, 23.10 ppm): 7 chemical-shift based assignments, quality = 0.89, support = 2.96, residual support = 56.0: O T HB VAL 24 - QG1 VAL 24 14.286% * 98.6866% (0.89 10.0 10.00 3.00 56.79) = 98.687% kept T HB2 PRO 68 - QG1 VAL 24 14.286% * 1.0933% (0.99 1.0 10.00 0.02 0.02) = 1.093% kept QB GLN 32 - QG1 VAL 24 14.286% * 0.1052% (0.95 1.0 1.00 0.02 0.02) = 0.105% HG3 GLU- 100 - QG1 VAL 24 14.286% * 0.0591% (0.53 1.0 1.00 0.02 0.02) = 0.059% HG2 PRO 58 - QG1 VAL 24 14.286% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 52 - QG1 VAL 24 14.286% * 0.0204% (0.18 1.0 1.00 0.02 0.02) = 0.020% HB2 GLU- 14 - QG1 VAL 24 14.286% * 0.0150% (0.14 1.0 1.00 0.02 0.02) = 0.015% Peak 2397 (8.80, 2.11, 32.16 ppm): 8 chemical-shift based assignments, quality = 0.431, support = 4.54, residual support = 19.9: O HN ASN 69 - HB2 PRO 68 12.500% * 36.6702% (0.12 10.0 5.46 21.36) = 36.670% kept HN GLU- 25 - HB VAL 24 12.500% * 34.9018% (0.40 1.0 5.67 28.72) = 34.902% kept HN ASN 28 - HB VAL 24 12.500% * 27.9269% (0.89 1.0 2.02 7.18) = 27.927% kept HN ASN 28 - HB2 PRO 68 12.500% * 0.1538% (0.50 1.0 0.02 0.02) = 0.154% HN ASP- 44 - HB VAL 24 12.500% * 0.1369% (0.44 1.0 0.02 0.02) = 0.137% HN ASP- 44 - HB2 PRO 68 12.500% * 0.0761% (0.24 1.0 0.02 0.02) = 0.076% HN GLU- 25 - HB2 PRO 68 12.500% * 0.0684% (0.22 1.0 0.02 0.02) = 0.068% HN ASN 69 - HB VAL 24 12.500% * 0.0660% (0.21 1.0 0.02 0.02) = 0.066% Peak 2398 (9.23, 2.11, 32.16 ppm): 2 chemical-shift based assignments, quality = 0.244, support = 3.72, residual support = 56.8: O HN VAL 24 - HB VAL 24 50.000% * 99.9445% (0.24 10.0 3.72 56.79) = 99.944% kept HN VAL 24 - HB2 PRO 68 50.000% * 0.0555% (0.14 1.0 0.02 0.02) = 0.056% Peak 2399 (9.23, 1.10, 23.10 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 3.72, residual support = 56.8: HN VAL 24 - QG1 VAL 24 100.000% *100.0000% (0.63 3.72 56.79) = 100.000% kept Peak 2400 (8.80, 2.20, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.353, support = 5.26, residual support = 104.6: O HN GLU- 25 - HB2 GLU- 25 25.000% * 88.3488% (0.28 10.0 5.87 118.07) = 88.349% kept HN ASN 28 - HB2 GLU- 25 25.000% * 11.0015% (0.97 1.0 0.71 2.79) = 11.002% kept HN ASP- 44 - HB2 GLU- 25 25.000% * 0.5496% (0.31 1.0 0.11 0.02) = 0.550% HN ASN 69 - HB2 GLU- 25 25.000% * 0.1001% (0.31 1.0 0.02 0.02) = 0.100% Peak 2401 (8.80, 2.01, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.411, support = 4.73, residual support = 94.9: O HN GLU- 25 - HB3 GLU- 25 25.000% * 79.9353% (0.28 10.0 5.58 118.07) = 79.935% kept HN ASN 28 - HB3 GLU- 25 25.000% * 19.4769% (0.97 1.0 1.39 2.79) = 19.477% kept HN ASP- 44 - HB3 GLU- 25 25.000% * 0.4972% (0.31 1.0 0.11 0.02) = 0.497% HN ASN 69 - HB3 GLU- 25 25.000% * 0.0906% (0.31 1.0 0.02 0.02) = 0.091% Peak 2402 (8.14, 2.01, 28.95 ppm): 3 chemical-shift based assignments, quality = 0.302, support = 3.27, residual support = 16.6: HN THR 26 - HB3 GLU- 25 33.333% * 59.9801% (0.21 4.74 27.34) = 59.980% kept HN GLU- 114 - HB3 GLU- 25 33.333% * 22.4404% (0.24 1.55 0.89) = 22.440% kept HN LEU 71 - HB3 GLU- 25 33.333% * 17.5794% (0.68 0.44 0.15) = 17.579% kept Peak 2403 (8.06, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.631, support = 1.34, residual support = 0.455: HN SER 85 - HA GLU- 25 12.500% * 56.0059% (0.73 1.73 0.71) = 56.006% kept HN GLN 32 - HA GLU- 25 12.500% * 17.0217% (1.00 0.38 0.02) = 17.022% kept HN SER 85 - HA SER 82 12.500% * 12.9223% (0.19 1.54 0.15) = 12.922% kept HN ALA 34 - HA GLU- 25 12.500% * 10.0023% (0.28 0.81 0.13) = 10.002% kept HN ALA 34 - HA SER 82 12.500% * 2.5686% (0.07 0.80 0.73) = 2.569% kept HN LEU 80 - HA SER 82 12.500% * 1.0843% (0.05 0.51 0.15) = 1.084% kept HN GLN 32 - HA SER 82 12.500% * 0.2313% (0.26 0.02 0.02) = 0.231% HN LEU 80 - HA GLU- 25 12.500% * 0.1637% (0.18 0.02 0.02) = 0.164% Peak 2404 (8.80, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.513, support = 4.64, residual support = 76.2: O HN GLU- 25 - HA GLU- 25 12.500% * 63.7492% (0.28 10.0 5.62 118.07) = 63.749% kept HN ASN 28 - HA GLU- 25 12.500% * 34.1222% (0.97 1.0 3.06 2.79) = 34.122% kept HN ASN 28 - HA SER 82 12.500% * 1.6058% (0.25 1.0 0.55 0.02) = 1.606% kept HN ASP- 44 - HA GLU- 25 12.500% * 0.3965% (0.31 1.0 0.11 0.02) = 0.397% HN ASN 69 - HA GLU- 25 12.500% * 0.0722% (0.31 1.0 0.02 0.02) = 0.072% HN ASN 69 - HA SER 82 12.500% * 0.0188% (0.08 1.0 0.02 0.02) = 0.019% HN ASP- 44 - HA SER 82 12.500% * 0.0188% (0.08 1.0 0.02 0.02) = 0.019% HN GLU- 25 - HA SER 82 12.500% * 0.0166% (0.07 1.0 0.02 0.10) = 0.017% Peak 2405 (7.59, 4.18, 61.45 ppm): 12 chemical-shift based assignments, quality = 0.587, support = 1.1, residual support = 1.2: HN ALA 84 - HA GLU- 25 8.333% * 31.4508% (0.49 1.56 1.01) = 31.451% kept HD21 ASN 28 - HA GLU- 25 8.333% * 20.5709% (0.49 1.02 2.79) = 20.571% kept HN ILE 56 - HA GLU- 25 8.333% * 18.5374% (0.92 0.48 0.02) = 18.537% kept HN LEU 63 - HA GLU- 25 8.333% * 13.0831% (0.99 0.32 0.02) = 13.083% kept HN ALA 84 - HA SER 82 8.333% * 11.6487% (0.13 2.22 2.59) = 11.649% kept HN LYS+ 111 - HA GLU- 25 8.333% * 3.7958% (0.49 0.19 0.02) = 3.796% kept HZ2 TRP 87 - HA GLU- 25 8.333% * 0.2308% (0.28 0.02 0.02) = 0.231% HN LEU 63 - HA SER 82 8.333% * 0.2131% (0.26 0.02 0.02) = 0.213% HN ILE 56 - HA SER 82 8.333% * 0.1992% (0.24 0.02 0.02) = 0.199% HD21 ASN 28 - HA SER 82 8.333% * 0.1051% (0.13 0.02 0.02) = 0.105% HN LYS+ 111 - HA SER 82 8.333% * 0.1051% (0.13 0.02 0.02) = 0.105% HZ2 TRP 87 - HA SER 82 8.333% * 0.0600% (0.07 0.02 0.02) = 0.060% Peak 2406 (2.92, 4.18, 61.45 ppm): 12 chemical-shift based assignments, quality = 0.893, support = 0.534, residual support = 1.64: HB2 ASN 28 - HA GLU- 25 8.333% * 58.6731% (0.99 0.75 2.79) = 58.673% kept QE LYS+ 33 - HA GLU- 25 8.333% * 23.9556% (1.00 0.30 0.02) = 23.956% kept HB2 ASP- 86 - HA GLU- 25 8.333% * 7.5987% (0.63 0.15 0.02) = 7.599% kept HB2 ASP- 86 - HA SER 82 8.333% * 2.5696% (0.16 0.20 0.02) = 2.570% kept HB2 ASN 28 - HA SER 82 8.333% * 2.1119% (0.26 0.10 0.02) = 2.112% kept HB2 ASN 35 - HA GLU- 25 8.333% * 1.8286% (0.24 0.09 0.02) = 1.829% kept QE LYS+ 65 - HA GLU- 25 8.333% * 1.4123% (0.89 0.02 0.02) = 1.412% kept HB2 ASP- 78 - HA GLU- 25 8.333% * 0.7714% (0.49 0.02 0.02) = 0.771% QE LYS+ 33 - HA SER 82 8.333% * 0.4107% (0.26 0.02 0.56) = 0.411% QE LYS+ 65 - HA SER 82 8.333% * 0.3672% (0.23 0.02 0.02) = 0.367% HB2 ASP- 78 - HA SER 82 8.333% * 0.2005% (0.13 0.02 0.02) = 0.201% HB2 ASN 35 - HA SER 82 8.333% * 0.1005% (0.06 0.02 0.24) = 0.100% Peak 2407 (1.36, 4.18, 61.45 ppm): 32 chemical-shift based assignments, quality = 0.631, support = 0.938, residual support = 0.714: QB ALA 84 - HA GLU- 25 3.125% * 50.9064% (0.99 1.26 1.01) = 50.906% kept HB2 LYS+ 112 - HA GLU- 25 3.125% * 12.1347% (0.40 0.75 0.02) = 12.135% kept HB2 LEU 31 - HA GLU- 25 3.125% * 8.4757% (0.21 0.98 0.10) = 8.476% kept QB ALA 84 - HA SER 82 3.125% * 7.1720% (0.26 0.68 2.59) = 7.172% kept HB2 LEU 63 - HA GLU- 25 3.125% * 6.3620% (0.49 0.32 0.02) = 6.362% kept HG3 LYS+ 33 - HA GLU- 25 3.125% * 4.0572% (0.16 0.63 0.02) = 4.057% kept HG2 LYS+ 111 - HA GLU- 25 3.125% * 3.6801% (0.16 0.57 0.02) = 3.680% kept HG3 LYS+ 65 - HA SER 82 3.125% * 1.0290% (0.06 0.46 0.02) = 1.029% kept HB3 PRO 93 - HA GLU- 25 3.125% * 0.8133% (1.00 0.02 0.02) = 0.813% HG LEU 98 - HA GLU- 25 3.125% * 0.7532% (0.92 0.02 0.02) = 0.753% QB ALA 124 - HA GLU- 25 3.125% * 0.6648% (0.81 0.02 0.02) = 0.665% HB3 ASP- 44 - HA GLU- 25 3.125% * 0.5146% (0.63 0.02 0.02) = 0.515% HG3 LYS+ 106 - HA GLU- 25 3.125% * 0.4358% (0.53 0.02 0.02) = 0.436% HB3 LEU 73 - HA SER 82 3.125% * 0.3240% (0.07 0.11 0.02) = 0.324% HB3 LEU 80 - HA GLU- 25 3.125% * 0.2893% (0.35 0.02 0.02) = 0.289% HB VAL 42 - HA SER 82 3.125% * 0.2886% (0.06 0.13 0.02) = 0.289% HG3 LYS+ 102 - HA GLU- 25 3.125% * 0.2570% (0.31 0.02 0.02) = 0.257% HB3 LEU 73 - HA GLU- 25 3.125% * 0.2268% (0.28 0.02 0.02) = 0.227% HB3 PRO 93 - HA SER 82 3.125% * 0.2114% (0.26 0.02 0.02) = 0.211% HG LEU 98 - HA SER 82 3.125% * 0.1958% (0.24 0.02 0.02) = 0.196% HG3 LYS+ 65 - HA GLU- 25 3.125% * 0.1734% (0.21 0.02 0.02) = 0.173% HB VAL 42 - HA GLU- 25 3.125% * 0.1734% (0.21 0.02 0.02) = 0.173% QB ALA 124 - HA SER 82 3.125% * 0.1728% (0.21 0.02 0.02) = 0.173% HB3 ASP- 44 - HA SER 82 3.125% * 0.1338% (0.16 0.02 0.02) = 0.134% HG3 LYS+ 106 - HA SER 82 3.125% * 0.1133% (0.14 0.02 0.02) = 0.113% HB2 LEU 63 - HA SER 82 3.125% * 0.1032% (0.13 0.02 0.02) = 0.103% HB2 LYS+ 112 - HA SER 82 3.125% * 0.0841% (0.10 0.02 0.02) = 0.084% HB3 LEU 80 - HA SER 82 3.125% * 0.0752% (0.09 0.02 0.15) = 0.075% HG3 LYS+ 102 - HA SER 82 3.125% * 0.0668% (0.08 0.02 0.02) = 0.067% HB2 LEU 31 - HA SER 82 3.125% * 0.0451% (0.06 0.02 0.02) = 0.045% HG3 LYS+ 33 - HA SER 82 3.125% * 0.0336% (0.04 0.02 0.56) = 0.034% HG2 LYS+ 111 - HA SER 82 3.125% * 0.0336% (0.04 0.02 0.02) = 0.034% Peak 2408 (1.04, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.337, support = 0.349, residual support = 0.887: QG2 VAL 108 - HA SER 82 12.500% * 63.8745% (0.23 0.52 1.38) = 63.874% kept QG2 VAL 108 - HA GLU- 25 12.500% * 9.4011% (0.89 0.02 0.02) = 9.401% kept HB2 LEU 104 - HA GLU- 25 12.500% * 7.6601% (0.73 0.02 0.02) = 7.660% kept QD1 ILE 119 - HA SER 82 12.500% * 6.8627% (0.09 0.14 0.02) = 6.863% kept HG3 LYS+ 112 - HA GLU- 25 12.500% * 5.1347% (0.49 0.02 0.02) = 5.135% kept QD1 ILE 119 - HA GLU- 25 12.500% * 3.7405% (0.35 0.02 0.02) = 3.741% kept HB2 LEU 104 - HA SER 82 12.500% * 1.9914% (0.19 0.02 0.10) = 1.991% kept HG3 LYS+ 112 - HA SER 82 12.500% * 1.3349% (0.13 0.02 0.02) = 1.335% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2409 (2.22, 4.15, 66.74 ppm): 8 chemical-shift based assignments, quality = 0.294, support = 3.06, residual support = 21.8: HB2 GLU- 25 - HA THR 26 12.500% * 79.6253% (0.18 3.83 27.34) = 79.625% kept HG2 GLU- 100 - HA THR 26 12.500% * 8.4324% (0.92 0.08 0.02) = 8.432% kept HB2 ASP- 105 - HA THR 26 12.500% * 6.2309% (0.58 0.09 0.02) = 6.231% kept HB2 MET 96 - HA THR 26 12.500% * 1.9326% (0.85 0.02 0.02) = 1.933% kept HB3 ASP- 76 - HA THR 26 12.500% * 1.9326% (0.85 0.02 0.02) = 1.933% kept HB VAL 70 - HA THR 26 12.500% * 0.8016% (0.35 0.02 0.02) = 0.802% QG GLN 17 - HA THR 26 12.500% * 0.6286% (0.28 0.02 0.02) = 0.629% HG3 MET 92 - HA THR 26 12.500% * 0.4160% (0.18 0.02 0.02) = 0.416% Peak 2410 (8.14, 4.15, 66.74 ppm): 3 chemical-shift based assignments, quality = 0.263, support = 4.45, residual support = 25.5: O HN THR 26 - HA THR 26 33.333% * 88.2116% (0.21 10.0 4.95 28.95) = 88.212% kept HN LEU 71 - HA THR 26 33.333% * 10.6420% (0.68 1.0 0.76 0.02) = 10.642% kept HN GLU- 114 - HA THR 26 33.333% * 1.1464% (0.24 1.0 0.23 0.02) = 1.146% kept Peak 2411 (8.32, 4.15, 66.74 ppm): 5 chemical-shift based assignments, quality = 0.565, support = 1.07, residual support = 1.96: HN GLN 30 - HA THR 26 20.000% * 64.4023% (0.58 1.30 2.95) = 64.402% kept HN ASP- 86 - HA THR 26 20.000% * 31.1621% (0.49 0.75 0.18) = 31.162% kept HN GLU- 14 - HA THR 26 20.000% * 1.6587% (0.97 0.02 0.02) = 1.659% kept HE1 HIS 122 - HA THR 26 20.000% * 1.4595% (0.85 0.02 0.02) = 1.459% kept HN LYS+ 99 - HA THR 26 20.000% * 1.3174% (0.77 0.02 0.02) = 1.317% kept Peak 2412 (7.36, 4.23, 69.37 ppm): 6 chemical-shift based assignments, quality = 0.524, support = 1.31, residual support = 4.12: HN THR 23 - HB THR 26 16.667% * 53.7545% (0.24 2.23 7.64) = 53.754% kept HD2 HIS 22 - HB THR 26 16.667% * 24.8989% (0.99 0.25 0.02) = 24.899% kept HN LEU 67 - HB THR 26 16.667% * 17.8176% (0.68 0.27 0.02) = 17.818% kept HD1 TRP 49 - HB THR 26 16.667% * 1.9551% (0.99 0.02 0.02) = 1.955% kept HD21 ASN 35 - HB THR 26 16.667% * 1.1531% (0.58 0.02 0.02) = 1.153% kept QE PHE 95 - HB THR 26 16.667% * 0.4208% (0.21 0.02 0.02) = 0.421% Peak 2413 (7.74, 4.23, 69.37 ppm): 7 chemical-shift based assignments, quality = 0.759, support = 4.35, residual support = 17.8: HN TRP 27 - HB THR 26 14.286% * 98.3622% (0.77 4.42 18.11) = 98.362% kept HN THR 39 - HB THR 26 14.286% * 0.4928% (0.85 0.02 0.02) = 0.493% HD1 TRP 87 - HB THR 26 14.286% * 0.4697% (0.81 0.02 0.02) = 0.470% HN ALA 91 - HB THR 26 14.286% * 0.2044% (0.35 0.02 0.02) = 0.204% HN GLU- 36 - HB THR 26 14.286% * 0.2044% (0.35 0.02 0.02) = 0.204% HN ALA 61 - HB THR 26 14.286% * 0.1603% (0.28 0.02 0.02) = 0.160% HN LYS+ 102 - HB THR 26 14.286% * 0.1061% (0.18 0.02 0.02) = 0.106% Peak 2414 (8.13, 4.23, 69.37 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 4.54, residual support = 28.9: O HN THR 26 - HB THR 26 50.000% * 99.9747% (0.73 10.0 4.54 28.95) = 99.975% kept HN LEU 71 - HB THR 26 50.000% * 0.0253% (0.18 1.0 0.02 0.02) = 0.025% Peak 2415 (4.62, 1.50, 23.02 ppm): 2 chemical-shift based assignments, quality = 0.792, support = 0.159, residual support = 0.148: HA ALA 20 - QG2 THR 26 50.000% * 95.5324% (0.81 0.17 0.15) = 95.532% kept HA LYS+ 102 - QG2 THR 26 50.000% * 4.4676% (0.31 0.02 0.02) = 4.468% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2416 (2.07, 1.50, 23.02 ppm): 7 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02: HG2 MET 11 - QG2 THR 26 14.286% * 21.7203% (0.92 0.02 0.02) = 21.720% kept HB2 GLU- 14 - QG2 THR 26 14.286% * 20.9690% (0.89 0.02 0.02) = 20.969% kept HG2 PRO 58 - QG2 THR 26 14.286% * 19.1719% (0.81 0.02 0.02) = 19.172% kept HG3 PRO 52 - QG2 THR 26 14.286% * 19.1719% (0.81 0.02 0.02) = 19.172% kept HB2 PRO 93 - QG2 THR 26 14.286% * 11.4530% (0.49 0.02 0.02) = 11.453% kept HB2 ARG+ 54 - QG2 THR 26 14.286% * 4.3295% (0.18 0.02 0.02) = 4.329% kept HB VAL 108 - QG2 THR 26 14.286% * 3.1843% (0.14 0.02 0.02) = 3.184% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2417 (2.73, 1.50, 23.02 ppm): 4 chemical-shift based assignments, quality = 0.983, support = 0.646, residual support = 2.87: T HG2 GLN 30 - QG2 THR 26 25.000% * 96.9116% (0.99 10.00 0.66 2.95) = 96.912% kept HB3 ASN 28 - QG2 THR 26 25.000% * 2.7401% (0.95 1.00 0.19 0.67) = 2.740% kept HB3 HIS 122 - QG2 THR 26 25.000% * 0.2039% (0.16 1.00 0.09 0.02) = 0.204% QE LYS+ 121 - QG2 THR 26 25.000% * 0.1445% (0.49 1.00 0.02 0.02) = 0.144% Peak 2419 (0.58, 2.99, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.772, support = 2.43, residual support = 4.5: QD2 LEU 115 - HB3 TRP 27 16.667% * 22.9539% (0.77 2.70 7.42) = 22.954% kept QD2 LEU 80 - HB3 TRP 27 16.667% * 21.3841% (0.73 2.67 5.44) = 21.384% kept QD1 LEU 63 - HB3 TRP 27 16.667% * 20.0630% (1.00 1.82 3.87) = 20.063% kept QD1 LEU 104 - HB3 TRP 27 16.667% * 17.9309% (0.44 3.69 2.42) = 17.931% kept QD1 LEU 73 - HB3 TRP 27 16.667% * 14.7326% (1.00 1.34 2.08) = 14.733% kept QD2 LEU 63 - HB3 TRP 27 16.667% * 2.9355% (0.44 0.60 3.87) = 2.936% kept Peak 2420 (3.78, 2.99, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.716, support = 2.74, residual support = 14.5: T HA VAL 24 - HB3 TRP 27 50.000% * 87.3215% (0.68 10.00 2.84 16.05) = 87.322% kept HA LYS+ 38 - HB3 TRP 27 50.000% * 12.6785% (0.97 1.00 2.03 3.63) = 12.678% kept Peak 2421 (3.77, 3.56, 30.32 ppm): 3 chemical-shift based assignments, quality = 0.861, support = 2.72, residual support = 11.4: HA VAL 24 - HB2 TRP 27 33.333% * 62.6357% (0.95 3.00 16.05) = 62.636% kept HA LYS+ 38 - HB2 TRP 27 33.333% * 36.6012% (0.73 2.29 3.63) = 36.601% kept HD2 PRO 68 - HB2 TRP 27 33.333% * 0.7631% (0.14 0.26 0.02) = 0.763% Peak 2422 (0.59, 3.56, 30.32 ppm): 7 chemical-shift based assignments, quality = 0.892, support = 2.29, residual support = 4.77: QD2 LEU 115 - HB2 TRP 27 14.286% * 27.6672% (0.99 2.81 7.42) = 27.667% kept QD2 LEU 80 - HB2 TRP 27 14.286% * 26.7927% (0.97 2.76 5.44) = 26.793% kept QD1 LEU 63 - HB2 TRP 27 14.286% * 16.4338% (0.85 1.93 3.87) = 16.434% kept QD1 LEU 104 - HB2 TRP 27 14.286% * 14.8940% (0.77 1.93 2.42) = 14.894% kept QD1 LEU 73 - HB2 TRP 27 14.286% * 11.5822% (0.85 1.36 2.08) = 11.582% kept QG1 VAL 83 - HB2 TRP 27 14.286% * 1.6930% (0.24 0.70 1.56) = 1.693% kept QD2 LEU 63 - HB2 TRP 27 14.286% * 0.9371% (0.18 0.51 3.87) = 0.937% Peak 2423 (0.01, 4.13, 56.27 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 2.55, residual support = 7.63: QD1 LEU 31 - HA ASN 28 100.000% *100.0000% (0.68 2.55 7.63) = 100.000% kept Peak 2424 (4.03, 2.16, 36.74 ppm): 5 chemical-shift based assignments, quality = 0.503, support = 0.0913, residual support = 0.0461: HA VAL 70 - HG3 GLU- 29 20.000% * 50.6058% (0.53 1.00 0.16 0.02) = 50.606% kept T HA LYS+ 33 - HG3 GLU- 29 20.000% * 25.0422% (0.21 10.00 0.02 0.12) = 25.042% kept HB2 SER 37 - HG3 GLU- 29 20.000% * 11.1962% (0.95 1.00 0.02 0.02) = 11.196% kept HA1 GLY 16 - HG3 GLU- 29 20.000% * 6.8619% (0.58 1.00 0.02 0.02) = 6.862% kept HA GLN 116 - HG3 GLU- 29 20.000% * 6.2939% (0.53 1.00 0.02 0.02) = 6.294% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2425 (7.19, 3.56, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.969, support = 3.61, residual support = 87.6: O HD1 TRP 27 - HB2 TRP 27 25.000% * 97.9849% (0.97 10.0 3.67 89.43) = 97.985% kept HE21 GLN 30 - HB2 TRP 27 25.000% * 1.8486% (0.89 1.0 0.41 0.02) = 1.849% kept QD PHE 59 - HB2 TRP 27 25.000% * 0.0980% (0.97 1.0 0.02 0.02) = 0.098% HH2 TRP 49 - HB2 TRP 27 25.000% * 0.0685% (0.68 1.0 0.02 0.02) = 0.068% Peak 2426 (7.74, 3.56, 30.32 ppm): 7 chemical-shift based assignments, quality = 0.681, support = 5.03, residual support = 84.5: O HN TRP 27 - HB2 TRP 27 14.286% * 94.5315% (0.68 10.0 5.29 89.43) = 94.532% kept HN THR 39 - HB2 TRP 27 14.286% * 4.2456% (0.92 1.0 0.66 0.02) = 4.246% kept HD1 TRP 87 - HB2 TRP 27 14.286% * 0.6060% (0.89 1.0 0.10 5.71) = 0.606% HN GLU- 36 - HB2 TRP 27 14.286% * 0.5146% (0.44 1.0 0.17 0.02) = 0.515% HN ALA 91 - HB2 TRP 27 14.286% * 0.0387% (0.28 1.0 0.02 0.02) = 0.039% HN LYS+ 102 - HB2 TRP 27 14.286% * 0.0340% (0.24 1.0 0.02 0.33) = 0.034% HN ALA 61 - HB2 TRP 27 14.286% * 0.0296% (0.21 1.0 0.02 0.02) = 0.030% Peak 2427 (8.81, 3.56, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.88, support = 5.03, residual support = 36.0: HN ASN 28 - HB2 TRP 27 50.000% * 93.3479% (0.89 5.35 38.50) = 93.348% kept HN ASN 69 - HB2 TRP 27 50.000% * 6.6521% (0.73 0.47 0.14) = 6.652% kept Peak 2428 (7.33, 2.99, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.703, support = 3.94, residual support = 78.3: O HE3 TRP 27 - HB3 TRP 27 16.667% * 87.4643% (0.68 10.0 4.27 89.43) = 87.464% kept HN THR 23 - HB3 TRP 27 16.667% * 11.2196% (0.97 1.0 1.79 0.61) = 11.220% kept HN LEU 67 - HB3 TRP 27 16.667% * 0.7059% (0.58 1.0 0.19 0.02) = 0.706% QE PHE 95 - HB3 TRP 27 16.667% * 0.4833% (0.99 1.0 0.08 0.02) = 0.483% QD PHE 55 - HB3 TRP 27 16.667% * 0.0994% (0.77 1.0 0.02 0.02) = 0.099% HD1 TRP 49 - HB3 TRP 27 16.667% * 0.0274% (0.21 1.0 0.02 0.02) = 0.027% Peak 2429 (7.19, 2.99, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.969, support = 3.75, residual support = 88.2: O HD1 TRP 27 - HB3 TRP 27 25.000% * 98.6140% (0.97 10.0 3.80 89.43) = 98.614% kept HE21 GLN 30 - HB3 TRP 27 25.000% * 1.2185% (0.89 1.0 0.27 0.02) = 1.218% kept QD PHE 59 - HB3 TRP 27 25.000% * 0.0986% (0.97 1.0 0.02 0.02) = 0.099% HH2 TRP 49 - HB3 TRP 27 25.000% * 0.0689% (0.68 1.0 0.02 0.02) = 0.069% Peak 2430 (7.74, 2.99, 30.32 ppm): 7 chemical-shift based assignments, quality = 0.686, support = 5.07, residual support = 84.4: O HN TRP 27 - HB3 TRP 27 14.286% * 94.3277% (0.68 10.0 5.33 89.43) = 94.328% kept HN THR 39 - HB3 TRP 27 14.286% * 4.9043% (0.92 1.0 0.76 0.02) = 4.904% kept HD1 TRP 87 - HB3 TRP 27 14.286% * 0.6047% (0.89 1.0 0.10 5.71) = 0.605% HN GLU- 36 - HB3 TRP 27 14.286% * 0.0612% (0.44 1.0 0.02 0.02) = 0.061% HN ALA 91 - HB3 TRP 27 14.286% * 0.0386% (0.28 1.0 0.02 0.02) = 0.039% HN LYS+ 102 - HB3 TRP 27 14.286% * 0.0339% (0.24 1.0 0.02 0.33) = 0.034% HN ALA 61 - HB3 TRP 27 14.286% * 0.0295% (0.21 1.0 0.02 0.02) = 0.030% Peak 2431 (8.82, 2.99, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.582, support = 5.12, residual support = 34.4: HN ASN 28 - HB3 TRP 27 50.000% * 89.4209% (0.53 5.69 38.50) = 89.421% kept HN ASN 69 - HB3 TRP 27 50.000% * 10.5791% (0.99 0.36 0.14) = 10.579% kept Peak 2432 (7.88, 4.13, 56.27 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 0.48, residual support = 0.887: HN LYS+ 38 - HA ASN 28 33.333% * 97.3750% (0.97 0.49 0.91) = 97.375% kept HN ARG+ 54 - HA ASN 28 33.333% * 1.9807% (0.49 0.02 0.02) = 1.981% kept HN ASP- 62 - HA ASN 28 33.333% * 0.6442% (0.16 0.02 0.02) = 0.644% Peak 2433 (8.34, 4.13, 56.27 ppm): 3 chemical-shift based assignments, quality = 0.787, support = 0.929, residual support = 0.74: HE1 HIS 122 - HA ASN 28 33.333% * 35.5242% (0.81 0.94 0.88) = 35.524% kept HN LYS+ 99 - HA ASN 28 33.333% * 35.0155% (0.89 0.85 0.62) = 35.015% kept HN GLU- 14 - HA ASN 28 33.333% * 29.4603% (0.63 1.01 0.72) = 29.460% kept Peak 2434 (8.82, 2.93, 38.30 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 5.41, residual support = 77.4: O HN ASN 28 - HB2 ASN 28 25.000% * 96.0302% (0.53 10.0 5.61 80.55) = 96.030% kept HN ASN 69 - HB2 ASN 28 25.000% * 3.9100% (0.99 1.0 0.44 0.02) = 3.910% kept HN ASN 69 - HB2 ASN 35 25.000% * 0.0388% (0.22 1.0 0.02 0.02) = 0.039% HN ASN 28 - HB2 ASN 35 25.000% * 0.0210% (0.12 1.0 0.02 0.02) = 0.021% Peak 2435 (6.96, 2.73, 38.30 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 3.09, residual support = 80.5: O HD22 ASN 28 - HB3 ASN 28 50.000% * 99.9861% (0.97 10.0 3.09 80.55) = 99.986% kept QE PHE 72 - HB3 ASN 28 50.000% * 0.0139% (0.14 1.0 0.02 0.02) = 0.014% Peak 2436 (7.62, 2.73, 38.30 ppm): 3 chemical-shift based assignments, quality = 0.817, support = 3.33, residual support = 79.2: O HD21 ASN 28 - HB3 ASN 28 33.333% * 98.3562% (0.81 10.0 3.38 80.55) = 98.356% kept HZ2 TRP 87 - HB3 ASN 28 33.333% * 1.5735% (0.97 1.0 0.27 0.02) = 1.573% kept QE PHE 60 - HB3 ASN 28 33.333% * 0.0703% (0.58 1.0 0.02 0.02) = 0.070% Peak 2437 (8.31, 2.73, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 3.0, residual support = 6.38: HN GLN 30 - HB3 ASN 28 16.667% * 40.4837% (0.89 2.81 3.30) = 40.484% kept HN GLU- 29 - HB3 ASN 28 16.667% * 27.6249% (0.31 5.43 17.39) = 27.625% kept HN GLU- 14 - HB3 ASN 28 16.667% * 13.3650% (0.73 1.14 0.72) = 13.365% kept HE1 HIS 122 - HB3 ASN 28 16.667% * 10.3185% (0.53 1.20 0.88) = 10.318% kept HN LYS+ 99 - HB3 ASN 28 16.667% * 7.9444% (0.44 1.11 0.62) = 7.944% kept HN ASP- 86 - HB3 ASN 28 16.667% * 0.2634% (0.81 0.02 0.02) = 0.263% Peak 2438 (8.81, 2.73, 38.30 ppm): 2 chemical-shift based assignments, quality = 0.888, support = 5.51, residual support = 79.1: O HN ASN 28 - HB3 ASN 28 50.000% * 98.2369% (0.89 10.0 5.60 80.55) = 98.237% kept HN ASN 69 - HB3 ASN 28 50.000% * 1.7631% (0.73 1.0 0.44 0.02) = 1.763% kept Peak 2439 (8.33, 2.93, 38.30 ppm): 10 chemical-shift based assignments, quality = 0.798, support = 1.33, residual support = 1.19: HE1 HIS 122 - HB2 ASN 28 10.000% * 28.2572% (1.00 1.08 0.88) = 28.257% kept HN GLU- 14 - HB2 ASN 28 10.000% * 24.5718% (0.92 1.01 0.72) = 24.572% kept HN LYS+ 99 - HB2 ASN 28 10.000% * 23.5899% (1.00 0.90 0.62) = 23.590% kept HN GLN 30 - HB2 ASN 28 10.000% * 18.6966% (0.24 2.91 3.30) = 18.697% kept HN ASP- 86 - HB2 ASN 28 10.000% * 2.4799% (0.18 0.51 0.02) = 2.480% kept HN LYS+ 99 - HB2 ASN 35 10.000% * 2.1343% (0.22 0.37 0.02) = 2.134% kept HE1 HIS 122 - HB2 ASN 35 10.000% * 0.1148% (0.22 0.02 0.02) = 0.115% HN GLU- 14 - HB2 ASN 35 10.000% * 0.1063% (0.20 0.02 0.02) = 0.106% HN GLN 30 - HB2 ASN 35 10.000% * 0.0281% (0.05 0.02 0.02) = 0.028% HN ASP- 86 - HB2 ASN 35 10.000% * 0.0212% (0.04 0.02 0.02) = 0.021% Peak 2440 (7.62, 2.93, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.495, support = 3.36, residual support = 77.0: O HD21 ASN 28 - HB2 ASN 28 16.667% * 95.5423% (0.49 10.0 3.49 80.55) = 95.542% kept HZ2 TRP 87 - HB2 ASN 28 16.667% * 4.1925% (0.73 1.0 0.59 0.02) = 4.192% kept QE PHE 60 - HB2 ASN 28 16.667% * 0.1749% (0.89 1.0 0.02 0.02) = 0.175% QE PHE 60 - HB2 ASN 35 16.667% * 0.0382% (0.19 1.0 0.02 0.02) = 0.038% HZ2 TRP 87 - HB2 ASN 35 16.667% * 0.0312% (0.16 1.0 0.02 0.15) = 0.031% HD21 ASN 28 - HB2 ASN 35 16.667% * 0.0209% (0.11 1.0 0.02 0.02) = 0.021% Peak 2441 (8.33, 4.00, 59.66 ppm): 15 chemical-shift based assignments, quality = 0.466, support = 4.04, residual support = 17.9: O HN GLN 30 - HA GLU- 29 6.667% * 79.7638% (0.35 10.0 4.92 22.38) = 79.764% kept HN GLU- 14 - HA GLU- 29 6.667% * 8.9446% (0.98 1.0 0.81 0.02) = 8.945% kept HE1 HIS 122 - HA GLU- 29 6.667% * 5.8495% (0.98 1.0 0.53 0.02) = 5.849% kept HN LYS+ 99 - HA GLU- 29 6.667% * 4.0863% (0.95 1.0 0.38 0.02) = 4.086% kept HN ASP- 86 - HA GLU- 29 6.667% * 0.4391% (0.28 1.0 0.14 0.18) = 0.439% HN GLN 30 - HA GLN 32 6.667% * 0.2436% (0.06 1.0 0.39 0.87) = 0.244% HN ASP- 86 - HA GLN 32 6.667% * 0.2295% (0.04 1.0 0.47 0.11) = 0.230% HN ASP- 86 - HA LYS+ 33 6.667% * 0.1424% (0.07 1.0 0.17 0.02) = 0.142% HE1 HIS 122 - HA LYS+ 33 6.667% * 0.0595% (0.26 1.0 0.02 0.02) = 0.059% HN GLU- 14 - HA LYS+ 33 6.667% * 0.0595% (0.26 1.0 0.02 0.02) = 0.059% HN LYS+ 99 - HA LYS+ 33 6.667% * 0.0573% (0.25 1.0 0.02 0.02) = 0.057% HE1 HIS 122 - HA GLN 32 6.667% * 0.0350% (0.16 1.0 0.02 0.02) = 0.035% HN GLU- 14 - HA GLN 32 6.667% * 0.0350% (0.16 1.0 0.02 0.02) = 0.035% HN LYS+ 99 - HA GLN 32 6.667% * 0.0337% (0.15 1.0 0.02 0.02) = 0.034% HN GLN 30 - HA LYS+ 33 6.667% * 0.0214% (0.09 1.0 0.02 0.02) = 0.021% Peak 2442 (8.31, 2.25, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.548, support = 4.71, residual support = 43.8: O HN GLU- 29 - HB2 GLU- 29 16.667% * 49.3493% (0.28 10.0 4.57 69.32) = 49.349% kept HN GLN 30 - HB2 GLU- 29 16.667% * 42.9145% (0.85 1.0 5.66 22.38) = 42.915% kept HN GLU- 14 - HB2 GLU- 29 16.667% * 2.8832% (0.77 1.0 0.42 0.02) = 2.883% kept HE1 HIS 122 - HB2 GLU- 29 16.667% * 2.4600% (0.58 1.0 0.48 0.02) = 2.460% kept HN LYS+ 99 - HB2 GLU- 29 16.667% * 1.4315% (0.49 1.0 0.33 0.02) = 1.431% kept HN ASP- 86 - HB2 GLU- 29 16.667% * 0.9616% (0.77 1.0 0.14 0.18) = 0.962% Peak 2443 (8.31, 2.15, 30.32 ppm): 12 chemical-shift based assignments, quality = 0.534, support = 4.22, residual support = 44.1: O HN GLU- 29 - HB3 GLU- 29 8.333% * 51.0593% (0.28 10.0 4.38 69.32) = 51.059% kept HN GLN 30 - HB3 GLU- 29 8.333% * 39.0324% (0.85 1.0 4.97 22.38) = 39.032% kept HN GLU- 14 - HB3 GLU- 29 8.333% * 4.6870% (0.77 1.0 0.66 0.02) = 4.687% kept HE1 HIS 122 - HB3 GLU- 29 8.333% * 2.5452% (0.58 1.0 0.48 0.02) = 2.545% kept HN LYS+ 99 - HB3 GLU- 29 8.333% * 1.4811% (0.49 1.0 0.33 0.02) = 1.481% kept HN ASP- 86 - HB3 GLU- 29 8.333% * 0.9949% (0.77 1.0 0.14 0.18) = 0.995% HN GLN 30 - QB GLU- 36 8.333% * 0.0457% (0.25 1.0 0.02 0.02) = 0.046% HN GLU- 14 - QB GLU- 36 8.333% * 0.0412% (0.22 1.0 0.02 0.02) = 0.041% HN ASP- 86 - QB GLU- 36 8.333% * 0.0412% (0.22 1.0 0.02 0.02) = 0.041% HE1 HIS 122 - QB GLU- 36 8.333% * 0.0311% (0.17 1.0 0.02 0.02) = 0.031% HN LYS+ 99 - QB GLU- 36 8.333% * 0.0260% (0.14 1.0 0.02 0.02) = 0.026% HN GLU- 29 - QB GLU- 36 8.333% * 0.0149% (0.08 1.0 0.02 0.12) = 0.015% Peak 2444 (2.44, 2.15, 30.32 ppm): 12 chemical-shift based assignments, quality = 0.981, support = 4.15, residual support = 68.9: O T HG2 GLU- 29 - HB3 GLU- 29 8.333% * 99.3717% (0.99 10.0 10.00 4.18 69.32) = 99.372% kept T HG2 GLU- 29 - QB GLU- 36 8.333% * 0.2892% (0.29 1.0 10.00 0.02 0.12) = 0.289% HB3 ASP- 86 - HB3 GLU- 29 8.333% * 0.0994% (0.99 1.0 1.00 0.02 0.18) = 0.099% HB3 ASP- 62 - HB3 GLU- 29 8.333% * 0.0586% (0.58 1.0 1.00 0.02 0.02) = 0.059% HB3 PHE 45 - HB3 GLU- 29 8.333% * 0.0444% (0.44 1.0 1.00 0.02 0.02) = 0.044% QE LYS+ 112 - HB3 GLU- 29 8.333% * 0.0444% (0.44 1.0 1.00 0.02 0.02) = 0.044% HB3 ASP- 86 - QB GLU- 36 8.333% * 0.0289% (0.29 1.0 1.00 0.02 0.02) = 0.029% HB3 ASP- 62 - QB GLU- 36 8.333% * 0.0171% (0.17 1.0 1.00 0.02 0.02) = 0.017% HG3 MET 96 - HB3 GLU- 29 8.333% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 PHE 45 - QB GLU- 36 8.333% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% QE LYS+ 112 - QB GLU- 36 8.333% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 MET 96 - QB GLU- 36 8.333% * 0.0046% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 2445 (1.62, 3.84, 58.37 ppm): 6 chemical-shift based assignments, quality = 0.906, support = 0.605, residual support = 2.56: HB3 LEU 123 - HA GLN 30 16.667% * 73.2271% (0.92 0.75 3.49) = 73.227% kept QD LYS+ 33 - HA GLN 30 16.667% * 23.2415% (0.92 0.24 0.02) = 23.241% kept HD3 LYS+ 111 - HA GLN 30 16.667% * 1.3343% (0.63 0.02 0.02) = 1.334% kept QB ALA 57 - HA GLN 30 16.667% * 1.2317% (0.58 0.02 0.02) = 1.232% kept HD2 LYS+ 74 - HA GLN 30 16.667% * 0.5158% (0.24 0.02 0.02) = 0.516% HG3 ARG+ 54 - HA GLN 30 16.667% * 0.4495% (0.21 0.02 0.02) = 0.450% Peak 2446 (0.83, 3.84, 58.37 ppm): 3 chemical-shift based assignments, quality = 0.783, support = 2.33, residual support = 3.51: QD2 LEU 123 - HA GLN 30 33.333% * 90.0068% (0.85 2.41 3.49) = 90.007% kept HG3 LYS+ 121 - HA GLN 30 33.333% * 9.7508% (0.14 1.65 3.83) = 9.751% kept HB3 LEU 104 - HA GLN 30 33.333% * 0.2425% (0.28 0.02 1.54) = 0.242% Peak 2447 (8.31, 3.84, 58.37 ppm): 6 chemical-shift based assignments, quality = 0.902, support = 5.48, residual support = 114.7: O HN GLN 30 - HA GLN 30 16.667% * 83.5164% (0.97 10.0 6.01 135.03) = 83.516% kept HN GLU- 29 - HA GLN 30 16.667% * 8.5118% (0.44 1.0 4.49 22.38) = 8.512% kept HN ASP- 86 - HA GLN 30 16.667% * 4.7879% (0.92 1.0 1.21 0.79) = 4.788% kept HE1 HIS 122 - HA GLN 30 16.667% * 2.1975% (0.40 1.0 1.29 0.12) = 2.197% kept HN GLU- 14 - HA GLN 30 16.667% * 0.9594% (0.58 1.0 0.38 0.02) = 0.959% HN LYS+ 99 - HA GLN 30 16.667% * 0.0271% (0.31 1.0 0.02 0.02) = 0.027% Peak 2448 (8.31, 2.04, 28.09 ppm): 6 chemical-shift based assignments, quality = 0.913, support = 4.95, residual support = 119.1: O HN GLN 30 - HB2 GLN 30 16.667% * 87.0048% (0.97 10.0 5.33 135.03) = 87.005% kept HN GLU- 29 - HB2 GLN 30 16.667% * 7.2943% (0.44 1.0 3.70 22.38) = 7.294% kept HN ASP- 86 - HB2 GLN 30 16.667% * 3.0620% (0.92 1.0 0.74 0.79) = 3.062% kept HE1 HIS 122 - HB2 GLN 30 16.667% * 1.7365% (0.40 1.0 0.98 0.12) = 1.737% kept HN GLU- 14 - HB2 GLN 30 16.667% * 0.8741% (0.58 1.0 0.34 0.02) = 0.874% HN LYS+ 99 - HB2 GLN 30 16.667% * 0.0282% (0.31 1.0 0.02 0.02) = 0.028% Peak 2449 (8.32, 1.89, 28.09 ppm): 5 chemical-shift based assignments, quality = 0.573, support = 4.98, residual support = 115.2: O HN GLN 30 - HB3 GLN 30 20.000% * 85.2946% (0.53 10.0 5.67 135.03) = 85.295% kept HE1 HIS 122 - HB3 GLN 30 20.000% * 8.6988% (0.89 1.0 1.22 0.12) = 8.699% kept HN ASP- 86 - HB3 GLN 30 20.000% * 3.2331% (0.44 1.0 0.92 0.79) = 3.233% kept HN GLU- 14 - HB3 GLN 30 20.000% * 2.6433% (0.99 1.0 0.34 0.02) = 2.643% kept HN LYS+ 99 - HB3 GLN 30 20.000% * 0.1301% (0.81 1.0 0.02 0.02) = 0.130% Peak 2450 (8.32, 2.73, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.582, support = 5.43, residual support = 104.2: HN GLN 30 - HG2 GLN 30 20.000% * 77.1380% (0.53 6.88 135.03) = 77.138% kept HN ASP- 86 - HG2 GLN 30 20.000% * 8.6113% (0.44 0.93 0.79) = 8.611% kept HN GLU- 14 - HG2 GLN 30 20.000% * 7.9449% (0.99 0.38 0.02) = 7.945% kept HE1 HIS 122 - HG2 GLN 30 20.000% * 5.9635% (0.89 0.32 0.12) = 5.964% kept HN LYS+ 99 - HG2 GLN 30 20.000% * 0.3422% (0.81 0.02 0.02) = 0.342% Peak 2451 (7.19, 2.73, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.818, support = 3.87, residual support = 131.1: O HE21 GLN 30 - HG2 GLN 30 25.000% * 97.0716% (0.81 10.0 3.97 135.03) = 97.072% kept HD1 TRP 27 - HG2 GLN 30 25.000% * 2.7403% (1.00 1.0 0.46 0.02) = 2.740% kept QD PHE 59 - HG2 GLN 30 25.000% * 0.1188% (1.00 1.0 0.02 0.02) = 0.119% HH2 TRP 49 - HG2 GLN 30 25.000% * 0.0694% (0.58 1.0 0.02 0.02) = 0.069% Peak 2452 (7.19, 2.03, 33.78 ppm): 12 chemical-shift based assignments, quality = 0.806, support = 3.09, residual support = 133.6: O HE21 GLN 30 - HG3 GLN 30 8.333% * 98.9210% (0.81 10.0 3.13 135.03) = 98.921% kept HD1 TRP 27 - HG3 GLN 30 8.333% * 0.8088% (1.00 1.0 0.13 0.02) = 0.809% QD PHE 59 - HG3 GLN 30 8.333% * 0.1210% (1.00 1.0 0.02 0.02) = 0.121% HH2 TRP 49 - HG3 GLN 30 8.333% * 0.0707% (0.58 1.0 0.02 0.02) = 0.071% QD PHE 59 - HB2 LYS+ 111 8.333% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% HD1 TRP 27 - HB2 LYS+ 111 8.333% * 0.0177% (0.15 1.0 0.02 0.02) = 0.018% HE21 GLN 30 - HB2 LYS+ 111 8.333% * 0.0145% (0.12 1.0 0.02 0.02) = 0.014% HH2 TRP 49 - HB2 LYS+ 111 8.333% * 0.0104% (0.09 1.0 0.02 0.02) = 0.010% QD PHE 59 - HB2 PRO 93 8.333% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HD1 TRP 27 - HB2 PRO 93 8.333% * 0.0054% (0.04 1.0 0.02 0.02) = 0.005% HE21 GLN 30 - HB2 PRO 93 8.333% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% HH2 TRP 49 - HB2 PRO 93 8.333% * 0.0031% (0.03 1.0 0.02 0.02) = 0.003% Peak 2453 (8.32, 2.03, 33.78 ppm): 15 chemical-shift based assignments, quality = 0.562, support = 4.97, residual support = 108.8: HN GLN 30 - HG3 GLN 30 6.667% * 80.5524% (0.53 6.06 135.03) = 80.552% kept HE1 HIS 122 - HG3 GLN 30 6.667% * 8.6616% (0.89 0.39 0.12) = 8.662% kept HN ASP- 86 - HG3 GLN 30 6.667% * 8.1615% (0.44 0.74 0.79) = 8.162% kept HN GLU- 14 - HG3 GLN 30 6.667% * 1.8699% (0.99 0.08 0.02) = 1.870% kept HN LYS+ 99 - HG3 GLN 30 6.667% * 0.4059% (0.81 0.02 0.02) = 0.406% HN GLU- 14 - HB2 LYS+ 111 6.667% * 0.0720% (0.14 0.02 0.02) = 0.072% HE1 HIS 122 - HB2 LYS+ 111 6.667% * 0.0650% (0.13 0.02 0.02) = 0.065% HN LYS+ 99 - HB2 LYS+ 111 6.667% * 0.0594% (0.12 0.02 0.02) = 0.059% HN GLN 30 - HB2 LYS+ 111 6.667% * 0.0390% (0.08 0.02 0.02) = 0.039% HN ASP- 86 - HB2 LYS+ 111 6.667% * 0.0322% (0.06 0.02 0.02) = 0.032% HN GLU- 14 - HB2 PRO 93 6.667% * 0.0218% (0.04 0.02 0.02) = 0.022% HE1 HIS 122 - HB2 PRO 93 6.667% * 0.0197% (0.04 0.02 0.02) = 0.020% HN LYS+ 99 - HB2 PRO 93 6.667% * 0.0180% (0.04 0.02 0.02) = 0.018% HN GLN 30 - HB2 PRO 93 6.667% * 0.0118% (0.02 0.02 0.02) = 0.012% HN ASP- 86 - HB2 PRO 93 6.667% * 0.0097% (0.02 0.02 0.02) = 0.010% Peak 2454 (0.81, 1.89, 28.09 ppm): 3 chemical-shift based assignments, quality = 0.582, support = 1.25, residual support = 2.35: T QD1 ILE 56 - HB3 GLN 30 33.333% * 49.5110% (0.35 10.00 0.72 0.97) = 49.511% kept HG3 LYS+ 121 - HB3 GLN 30 33.333% * 33.2250% (0.97 1.00 1.75 3.83) = 33.225% kept QD2 LEU 123 - HB3 GLN 30 33.333% * 17.2640% (0.49 1.00 1.82 3.49) = 17.264% kept Peak 2455 (0.59, 1.89, 28.09 ppm): 7 chemical-shift based assignments, quality = 0.893, support = 0.739, residual support = 0.59: QD2 LEU 80 - HB3 GLN 30 14.286% * 25.5791% (0.99 0.85 0.39) = 25.579% kept QD2 LEU 115 - HB3 GLN 30 14.286% * 24.2897% (1.00 0.80 0.37) = 24.290% kept QD1 LEU 104 - HB3 GLN 30 14.286% * 19.3707% (0.81 0.78 1.54) = 19.371% kept QD1 LEU 73 - HB3 GLN 30 14.286% * 16.4540% (0.81 0.66 0.60) = 16.454% kept QD1 LEU 63 - HB3 GLN 30 14.286% * 12.8641% (0.81 0.52 0.02) = 12.864% kept QD2 LEU 63 - HB3 GLN 30 14.286% * 1.2723% (0.16 0.26 0.02) = 1.272% kept QG1 VAL 83 - HB3 GLN 30 14.286% * 0.1701% (0.28 0.02 0.02) = 0.170% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2456 (0.82, 2.04, 28.09 ppm): 2 chemical-shift based assignments, quality = 0.769, support = 1.3, residual support = 3.64: QD2 LEU 123 - HB2 GLN 30 50.000% * 56.4407% (0.95 1.12 3.49) = 56.441% kept HG3 LYS+ 121 - HB2 GLN 30 50.000% * 43.5593% (0.53 1.54 3.83) = 43.559% kept Peak 2457 (0.59, 2.04, 28.09 ppm): 7 chemical-shift based assignments, quality = 0.879, support = 0.954, residual support = 0.593: QD1 LEU 73 - HB2 GLN 30 14.286% * 32.6242% (0.81 1.49 0.60) = 32.624% kept QD2 LEU 80 - HB2 GLN 30 14.286% * 20.8544% (0.99 0.79 0.39) = 20.854% kept QD2 LEU 115 - HB2 GLN 30 14.286% * 19.7628% (1.00 0.74 0.37) = 19.763% kept QD1 LEU 104 - HB2 GLN 30 14.286% * 15.5315% (0.81 0.71 1.54) = 15.531% kept QD1 LEU 63 - HB2 GLN 30 14.286% * 10.0312% (0.81 0.46 0.02) = 10.031% kept QD2 LEU 63 - HB2 GLN 30 14.286% * 1.0464% (0.16 0.25 0.02) = 1.046% kept QG1 VAL 83 - HB2 GLN 30 14.286% * 0.1495% (0.28 0.02 0.02) = 0.149% Peak 2458 (3.85, 2.03, 33.78 ppm): 27 chemical-shift based assignments, quality = 0.537, support = 4.79, residual support = 128.8: O T HA GLN 30 - HG3 GLN 30 3.704% * 95.3492% (0.53 10.0 10.00 5.00 135.03) = 95.349% kept QB SER 13 - HG3 GLN 30 3.704% * 3.8170% (0.73 1.0 1.00 0.59 0.02) = 3.817% kept HB3 SER 82 - HG3 GLN 30 3.704% * 0.1763% (0.99 1.0 1.00 0.02 0.02) = 0.176% HB THR 39 - HG3 GLN 30 3.704% * 0.1212% (0.68 1.0 1.00 0.02 0.02) = 0.121% HD3 PRO 52 - HG3 GLN 30 3.704% * 0.1126% (0.63 1.0 1.00 0.02 0.02) = 0.113% HA ILE 89 - HG3 GLN 30 3.704% * 0.0869% (0.49 1.0 1.00 0.02 0.02) = 0.087% HB3 SER 37 - HG3 GLN 30 3.704% * 0.0869% (0.49 1.0 1.00 0.02 0.02) = 0.087% T HA GLN 30 - HB2 PRO 93 3.704% * 0.0423% (0.02 1.0 10.00 0.02 0.02) = 0.042% HB3 SER 82 - HB2 LYS+ 111 3.704% * 0.0258% (0.14 1.0 1.00 0.02 0.02) = 0.026% HB2 CYS 53 - HG3 GLN 30 3.704% * 0.0242% (0.14 1.0 1.00 0.02 0.02) = 0.024% HB THR 118 - HG3 GLN 30 3.704% * 0.0242% (0.14 1.0 1.00 0.02 0.61) = 0.024% QB SER 13 - HB2 LYS+ 111 3.704% * 0.0190% (0.11 1.0 1.00 0.02 0.02) = 0.019% HB THR 39 - HB2 LYS+ 111 3.704% * 0.0177% (0.10 1.0 1.00 0.02 0.02) = 0.018% HD3 PRO 52 - HB2 LYS+ 111 3.704% * 0.0165% (0.09 1.0 1.00 0.02 0.02) = 0.016% HA GLN 30 - HB2 LYS+ 111 3.704% * 0.0140% (0.08 1.0 1.00 0.02 0.02) = 0.014% HB3 SER 37 - HB2 LYS+ 111 3.704% * 0.0127% (0.07 1.0 1.00 0.02 0.02) = 0.013% HA ILE 89 - HB2 LYS+ 111 3.704% * 0.0127% (0.07 1.0 1.00 0.02 0.61) = 0.013% HB3 SER 82 - HB2 PRO 93 3.704% * 0.0078% (0.04 1.0 1.00 0.02 0.02) = 0.008% QB SER 13 - HB2 PRO 93 3.704% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% HB THR 39 - HB2 PRO 93 3.704% * 0.0054% (0.03 1.0 1.00 0.02 0.02) = 0.005% HD3 PRO 52 - HB2 PRO 93 3.704% * 0.0050% (0.03 1.0 1.00 0.02 0.02) = 0.005% HB3 SER 37 - HB2 PRO 93 3.704% * 0.0039% (0.02 1.0 1.00 0.02 0.02) = 0.004% HA ILE 89 - HB2 PRO 93 3.704% * 0.0039% (0.02 1.0 1.00 0.02 0.02) = 0.004% HB THR 118 - HB2 LYS+ 111 3.704% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.004% HB2 CYS 53 - HB2 LYS+ 111 3.704% * 0.0035% (0.02 1.0 1.00 0.02 0.02) = 0.004% HB2 CYS 53 - HB2 PRO 93 3.704% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% HB THR 118 - HB2 PRO 93 3.704% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 2459 (6.74, 0.00, 23.44 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 1.83, residual support = 13.9: HZ2 TRP 27 - QD1 LEU 31 100.000% *100.0000% (0.81 1.83 13.94) = 100.000% kept Peak 2460 (7.60, 0.00, 23.44 ppm): 6 chemical-shift based assignments, quality = 0.747, support = 0.819, residual support = 4.03: HD21 ASN 28 - QD1 LEU 31 16.667% * 46.2630% (0.89 0.87 7.63) = 46.263% kept HZ2 TRP 87 - QD1 LEU 31 16.667% * 37.1323% (0.68 0.92 1.31) = 37.132% kept HN ILE 56 - QD1 LEU 31 16.667% * 15.4184% (0.53 0.48 0.11) = 15.418% kept HN LEU 63 - QD1 LEU 31 16.667% * 0.8090% (0.68 0.02 0.02) = 0.809% HN LYS+ 111 - QD1 LEU 31 16.667% * 0.1886% (0.16 0.02 0.02) = 0.189% HN ALA 84 - QD1 LEU 31 16.667% * 0.1886% (0.16 0.02 0.02) = 0.189% Peak 2461 (7.82, 0.00, 23.44 ppm): 3 chemical-shift based assignments, quality = 0.712, support = 0.505, residual support = 0.25: HN ALA 88 - QD1 LEU 31 33.333% * 57.5045% (0.95 0.39 0.19) = 57.504% kept HN PHE 55 - QD1 LEU 31 33.333% * 41.8306% (0.40 0.67 0.33) = 41.831% kept HN ASP- 105 - QD1 LEU 31 33.333% * 0.6649% (0.21 0.02 0.02) = 0.665% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2462 (7.86, 0.79, 27.16 ppm): 4 chemical-shift based assignments, quality = 0.561, support = 5.69, residual support = 176.1: HN LEU 31 - HG LEU 31 25.000% * 92.5058% (0.56 6.12 190.40) = 92.506% kept HN ASP- 62 - HG LEU 31 25.000% * 6.8980% (0.62 0.41 0.02) = 6.898% kept HN ARG+ 54 - HG LEU 31 25.000% * 0.3869% (0.72 0.02 0.02) = 0.387% HN LYS+ 38 - HG LEU 31 25.000% * 0.2093% (0.39 0.02 0.02) = 0.209% Peak 2463 (7.88, 1.12, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.212, support = 6.2, residual support = 184.9: O HN LEU 31 - HB3 LEU 31 25.000% * 97.0949% (0.21 10.0 6.38 190.40) = 97.095% kept HN ASP- 62 - HB3 LEU 31 25.000% * 2.1395% (0.28 1.0 0.34 0.02) = 2.139% kept HN LYS+ 38 - HB3 LEU 31 25.000% * 0.4555% (1.00 1.0 0.02 0.02) = 0.455% HN ARG+ 54 - HB3 LEU 31 25.000% * 0.3102% (0.68 1.0 0.02 0.02) = 0.310% Peak 2464 (8.07, 1.12, 40.94 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 4.11, residual support = 23.4: HN GLN 32 - HB3 LEU 31 20.000% * 60.0741% (0.68 5.73 35.12) = 60.074% kept HN ALA 34 - HB3 LEU 31 20.000% * 22.1880% (0.77 1.86 8.35) = 22.188% kept HN LEU 80 - HB3 LEU 31 20.000% * 15.1592% (0.63 1.56 3.21) = 15.159% kept HN SER 85 - HB3 LEU 31 20.000% * 2.4691% (0.24 0.66 0.32) = 2.469% kept HN CYS 53 - HB3 LEU 31 20.000% * 0.1096% (0.35 0.02 0.02) = 0.110% Peak 2465 (4.14, 1.33, 40.94 ppm): 6 chemical-shift based assignments, quality = 0.703, support = 1.24, residual support = 7.26: T HA ASN 28 - HB2 LEU 31 16.667% * 63.2970% (0.63 10.00 1.64 7.63) = 63.297% kept T HA ALA 34 - HB2 LEU 31 16.667% * 29.0361% (0.85 10.00 0.56 8.35) = 29.036% kept HA GLU- 114 - HB2 LEU 31 16.667% * 3.4073% (0.99 1.00 0.56 0.12) = 3.407% kept HA THR 26 - HB2 LEU 31 16.667% * 3.2000% (0.68 1.00 0.77 0.13) = 3.200% kept HA LEU 115 - HB2 LEU 31 16.667% * 0.9390% (0.68 1.00 0.23 0.31) = 0.939% HA1 GLY 101 - HB2 LEU 31 16.667% * 0.1207% (0.99 1.00 0.02 0.02) = 0.121% Peak 2467 (7.88, 1.33, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.212, support = 6.16, residual support = 184.6: O HN LEU 31 - HB2 LEU 31 25.000% * 96.9401% (0.21 10.0 6.34 190.40) = 96.940% kept HN ASP- 62 - HB2 LEU 31 25.000% * 2.2955% (0.28 1.0 0.36 0.02) = 2.295% kept HN LYS+ 38 - HB2 LEU 31 25.000% * 0.4547% (1.00 1.0 0.02 0.02) = 0.455% HN ARG+ 54 - HB2 LEU 31 25.000% * 0.3097% (0.68 1.0 0.02 0.02) = 0.310% Peak 2468 (8.07, 1.33, 40.94 ppm): 5 chemical-shift based assignments, quality = 0.685, support = 4.12, residual support = 21.0: HN GLN 32 - HB2 LEU 31 20.000% * 50.9999% (0.68 5.73 35.12) = 51.000% kept HN ALA 34 - HB2 LEU 31 20.000% * 31.1894% (0.77 3.08 8.35) = 31.189% kept HN LEU 80 - HB2 LEU 31 20.000% * 13.3318% (0.63 1.61 3.21) = 13.332% kept HN CYS 53 - HB2 LEU 31 20.000% * 2.4434% (0.35 0.53 0.02) = 2.443% kept HN SER 85 - HB2 LEU 31 20.000% * 2.0356% (0.24 0.64 0.32) = 2.036% kept Peak 2469 (7.88, 3.61, 58.19 ppm): 4 chemical-shift based assignments, quality = 0.212, support = 6.19, residual support = 184.5: O HN LEU 31 - HA LEU 31 25.000% * 96.9079% (0.21 10.0 6.38 190.40) = 96.908% kept HN ASP- 62 - HA LEU 31 25.000% * 2.3279% (0.28 1.0 0.37 0.02) = 2.328% kept HN LYS+ 38 - HA LEU 31 25.000% * 0.4546% (1.00 1.0 0.02 0.02) = 0.455% HN ARG+ 54 - HA LEU 31 25.000% * 0.3096% (0.68 1.0 0.02 0.02) = 0.310% Peak 2470 (8.07, 3.61, 58.19 ppm): 5 chemical-shift based assignments, quality = 0.681, support = 5.06, residual support = 28.7: O HN GLN 32 - HA LEU 31 20.000% * 77.8075% (0.68 10.0 5.77 35.12) = 77.808% kept HN ALA 34 - HA LEU 31 20.000% * 13.5482% (0.77 1.0 3.06 8.35) = 13.548% kept HN LEU 80 - HA LEU 31 20.000% * 7.6735% (0.63 1.0 2.12 3.21) = 7.674% kept HN SER 85 - HA LEU 31 20.000% * 0.9301% (0.24 1.0 0.67 0.32) = 0.930% HN CYS 53 - HA LEU 31 20.000% * 0.0406% (0.35 1.0 0.02 0.02) = 0.041% Peak 2471 (0.60, 3.61, 58.19 ppm): 6 chemical-shift based assignments, quality = 0.781, support = 1.06, residual support = 1.66: QD2 LEU 80 - HA LEU 31 16.667% * 45.6538% (0.81 1.58 3.21) = 45.654% kept QD1 LEU 104 - HA LEU 31 16.667% * 22.7316% (0.99 0.65 0.37) = 22.732% kept QD2 LEU 115 - HA LEU 31 16.667% * 17.7906% (0.77 0.65 0.31) = 17.791% kept QD1 LEU 73 - HA LEU 31 16.667% * 6.8244% (0.35 0.54 0.74) = 6.824% kept QD1 LEU 63 - HA LEU 31 16.667% * 6.4856% (0.35 0.52 0.02) = 6.486% kept QG1 VAL 83 - HA LEU 31 16.667% * 0.5139% (0.73 0.02 0.02) = 0.514% Peak 2472 (7.73, 0.08, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.674, support = 1.98, residual support = 3.5: HD1 TRP 87 - QG2 VAL 83 16.667% * 32.8816% (0.40 3.36 6.92) = 32.882% kept HN TRP 27 - QG2 VAL 83 16.667% * 29.9289% (1.00 1.21 1.56) = 29.929% kept HN ALA 91 - QG2 VAL 83 16.667% * 28.3278% (0.77 1.49 0.65) = 28.328% kept HE3 TRP 87 - QG2 VAL 83 16.667% * 8.3099% (0.31 1.07 6.92) = 8.310% kept HN ALA 61 - QG2 VAL 83 16.667% * 0.3346% (0.68 0.02 0.02) = 0.335% HN THR 39 - QG2 VAL 83 16.667% * 0.2172% (0.44 0.02 0.02) = 0.217% Peak 2473 (6.72, 0.08, 20.84 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 0.564, residual support = 0.564: HZ PHE 72 - QG2 VAL 83 100.000% *100.0000% (0.85 0.56 0.56) = 100.000% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2474 (7.17, 0.15, 20.83 ppm): 4 chemical-shift based assignments, quality = 0.344, support = 0.226, residual support = 1.47: HD1 TRP 27 - QG2 VAL 42 25.000% * 72.2779% (0.26 0.31 1.64) = 72.278% kept HH2 TRP 49 - QG2 VAL 42 25.000% * 12.6850% (0.69 0.02 2.26) = 12.685% kept HE21 GLN 30 - QG2 VAL 42 25.000% * 10.3028% (0.56 0.02 0.02) = 10.303% kept QD PHE 59 - QG2 VAL 42 25.000% * 4.7342% (0.26 0.02 0.02) = 4.734% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2475 (0.98, 0.15, 20.83 ppm): 7 chemical-shift based assignments, quality = 0.506, support = 0.193, residual support = 0.272: T HB VAL 75 - QG2 VAL 42 14.286% * 42.2690% (0.26 10.00 0.13 0.11) = 42.269% kept QD2 LEU 40 - QG2 VAL 42 14.286% * 26.0536% (0.72 1.00 0.30 0.84) = 26.054% kept HG3 LYS+ 74 - QG2 VAL 42 14.286% * 20.4055% (0.67 1.00 0.25 0.02) = 20.406% kept QD1 LEU 67 - QG2 VAL 42 14.286% * 8.4450% (0.72 1.00 0.10 0.02) = 8.445% kept QG2 ILE 103 - QG2 VAL 42 14.286% * 1.7600% (0.72 1.00 0.02 0.02) = 1.760% kept QD2 LEU 71 - QG2 VAL 42 14.286% * 0.6321% (0.26 1.00 0.02 0.10) = 0.632% QD1 ILE 103 - QG2 VAL 42 14.286% * 0.4347% (0.18 1.00 0.02 0.02) = 0.435% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2476 (6.75, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 3.41, residual support = 13.9: T HZ2 TRP 27 - QD2 LEU 31 100.000% *100.0000% (0.99 10.00 3.41 13.94) = 100.000% kept Peak 2477 (6.64, 0.07, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.849, support = 2.86, residual support = 29.5: HE22 GLN 30 - QD2 LEU 31 33.333% * 99.2827% (0.85 2.88 29.72) = 99.283% kept HD22 ASN 69 - QD2 LEU 31 33.333% * 0.4311% (0.53 0.02 0.02) = 0.431% HN TRP 49 - QD2 LEU 31 33.333% * 0.2862% (0.35 0.02 0.02) = 0.286% Peak 2478 (4.68, 0.06, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.334, support = 2.74, residual support = 45.6: O T HA VAL 43 - QG2 VAL 43 16.667% * 87.4062% (0.37 10.0 10.00 3.00 52.10) = 87.406% kept T HA VAL 43 - QD2 LEU 31 16.667% * 12.2513% (0.11 1.0 10.00 0.95 0.89) = 12.251% kept HA HIS 22 - QG2 VAL 43 16.667% * 0.1368% (0.57 1.0 1.00 0.02 0.02) = 0.137% HA ASN 69 - QG2 VAL 43 16.667% * 0.1279% (0.54 1.0 1.00 0.02 0.02) = 0.128% HA HIS 22 - QD2 LEU 31 16.667% * 0.0402% (0.17 1.0 1.00 0.02 0.02) = 0.040% HA ASN 69 - QD2 LEU 31 16.667% * 0.0376% (0.16 1.0 1.00 0.02 0.02) = 0.038% Peak 2479 (6.34, 0.06, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.163, support = 2.47, residual support = 11.6: T HZ3 TRP 27 - QD2 LEU 31 50.000% * 78.6154% (0.11 10.00 2.71 13.94) = 78.615% kept HZ3 TRP 27 - QG2 VAL 43 50.000% * 21.3846% (0.37 1.00 1.60 3.01) = 21.385% kept Peak 2480 (8.05, 2.39, 33.78 ppm): 2 chemical-shift based assignments, quality = 0.893, support = 3.83, residual support = 34.9: HN GLN 32 - QG GLN 32 50.000% * 96.6750% (0.89 3.95 36.13) = 96.675% kept HN SER 85 - QG GLN 32 50.000% * 3.3250% (0.95 0.13 0.02) = 3.325% kept Peak 2481 (8.05, 2.11, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.885, support = 3.96, residual support = 35.9: O HN GLN 32 - QB GLN 32 50.000% * 99.3249% (0.89 10.0 3.99 36.13) = 99.325% kept HN SER 85 - QB GLN 32 50.000% * 0.6751% (0.95 1.0 0.13 0.02) = 0.675% Peak 2484 (8.32, 4.00, 59.42 ppm): 18 chemical-shift based assignments, quality = 0.268, support = 4.41, residual support = 28.0: O HN GLN 30 - HA GLU- 29 5.556% * 70.0340% (0.31 10.0 4.92 22.38) = 70.034% kept O HN GLU- 29 - HA GLU- 29 5.556% * 17.7464% (0.08 10.0 5.11 69.32) = 17.746% kept HN GLU- 14 - HA GLU- 29 5.556% * 3.4617% (0.38 1.0 0.81 0.02) = 3.462% kept HN ASP- 86 - HA GLN 32 5.556% * 1.9369% (0.37 1.0 0.47 0.11) = 1.937% kept HN GLN 30 - HA GLN 32 5.556% * 1.8550% (0.42 1.0 0.39 0.87) = 1.855% kept HE1 HIS 122 - HA GLU- 29 5.556% * 1.8446% (0.31 1.0 0.53 0.02) = 1.845% kept HN LYS+ 99 - HA GLU- 29 5.556% * 1.1632% (0.27 1.0 0.38 0.02) = 1.163% kept HN ASP- 86 - HA LYS+ 33 5.556% * 0.7618% (0.40 1.0 0.17 0.02) = 0.762% HN ASP- 86 - HA GLU- 29 5.556% * 0.4271% (0.27 1.0 0.14 0.18) = 0.427% HN GLU- 14 - HA LYS+ 33 5.556% * 0.1267% (0.56 1.0 0.02 0.02) = 0.127% HN GLU- 14 - HA GLN 32 5.556% * 0.1174% (0.52 1.0 0.02 0.02) = 0.117% HE1 HIS 122 - HA LYS+ 33 5.556% * 0.1032% (0.46 1.0 0.02 0.02) = 0.103% HN GLN 30 - HA LYS+ 33 5.556% * 0.1032% (0.46 1.0 0.02 0.02) = 0.103% HE1 HIS 122 - HA GLN 32 5.556% * 0.0957% (0.42 1.0 0.02 0.02) = 0.096% HN LYS+ 99 - HA LYS+ 33 5.556% * 0.0897% (0.40 1.0 0.02 0.02) = 0.090% HN LYS+ 99 - HA GLN 32 5.556% * 0.0831% (0.37 1.0 0.02 0.02) = 0.083% HN GLU- 29 - HA LYS+ 33 5.556% * 0.0262% (0.12 1.0 0.02 0.12) = 0.026% HN GLU- 29 - HA GLN 32 5.556% * 0.0242% (0.11 1.0 0.02 0.02) = 0.024% Peak 2485 (8.04, 4.00, 59.42 ppm): 9 chemical-shift based assignments, quality = 0.274, support = 3.84, residual support = 29.8: O HN GLN 32 - HA GLN 32 11.111% * 75.4230% (0.26 10.0 4.27 36.13) = 75.423% kept HN GLN 32 - HA LYS+ 33 11.111% * 15.1498% (0.28 1.0 3.72 16.64) = 15.150% kept HN SER 85 - HA GLN 32 11.111% * 4.3423% (0.52 1.0 0.57 0.02) = 4.342% kept HN SER 85 - HA GLU- 29 11.111% * 3.4682% (0.38 1.0 0.62 0.02) = 3.468% kept HN GLN 32 - HA GLU- 29 11.111% * 1.2816% (0.19 1.0 0.46 0.02) = 1.282% kept HN SER 85 - HA LYS+ 33 11.111% * 0.1645% (0.56 1.0 0.02 0.02) = 0.164% HN THR 94 - HA LYS+ 33 11.111% * 0.0654% (0.22 1.0 0.02 0.02) = 0.065% HN THR 94 - HA GLN 32 11.111% * 0.0607% (0.21 1.0 0.02 0.02) = 0.061% HN THR 94 - HA GLU- 29 11.111% * 0.0444% (0.15 1.0 0.02 0.02) = 0.044% Peak 2486 (7.94, 4.01, 59.34 ppm): 9 chemical-shift based assignments, quality = 0.517, support = 5.07, residual support = 102.8: O HN LYS+ 33 - HA LYS+ 33 11.111% * 86.9898% (0.58 10.0 5.21 115.75) = 86.990% kept O HN LYS+ 33 - HA GLN 32 11.111% * 12.7379% (0.09 10.0 4.20 16.64) = 12.738% kept HN CYS 21 - HA LYS+ 33 11.111% * 0.1277% (0.85 1.0 0.02 0.02) = 0.128% HN ILE 119 - HA LYS+ 33 11.111% * 0.0471% (0.31 1.0 0.02 0.02) = 0.047% HN CYS 21 - HA GLU- 29 11.111% * 0.0351% (0.23 1.0 0.02 0.02) = 0.035% HN LYS+ 33 - HA GLU- 29 11.111% * 0.0239% (0.16 1.0 0.02 0.12) = 0.024% HN CYS 21 - HA GLN 32 11.111% * 0.0187% (0.13 1.0 0.02 0.02) = 0.019% HN ILE 119 - HA GLU- 29 11.111% * 0.0129% (0.09 1.0 0.02 0.02) = 0.013% HN ILE 119 - HA GLN 32 11.111% * 0.0069% (0.05 1.0 0.02 0.02) = 0.007% Peak 2487 (7.29, 1.86, 32.27 ppm): 3 chemical-shift based assignments, quality = 0.958, support = 3.88, residual support = 4.92: HN LYS+ 81 - QB LYS+ 33 33.333% * 93.8367% (0.97 4.12 5.24) = 93.837% kept QD PHE 60 - QB LYS+ 33 33.333% * 5.2309% (0.89 0.25 0.02) = 5.231% kept HN LYS+ 66 - QB LYS+ 33 33.333% * 0.9324% (0.31 0.13 0.02) = 0.932% Peak 2488 (7.95, 1.86, 32.27 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 5.3, residual support = 115.7: O HN LYS+ 33 - QB LYS+ 33 50.000% * 99.9536% (0.95 10.0 5.30 115.75) = 99.954% kept HN CYS 21 - QB LYS+ 33 50.000% * 0.0464% (0.44 1.0 0.02 0.02) = 0.046% Peak 2489 (8.07, 1.86, 32.27 ppm): 5 chemical-shift based assignments, quality = 0.779, support = 4.11, residual support = 15.1: HN ALA 34 - QB LYS+ 33 20.000% * 55.4698% (0.89 5.19 19.91) = 55.470% kept HN GLN 32 - QB LYS+ 33 20.000% * 22.5180% (0.53 3.52 16.64) = 22.518% kept HN LEU 80 - QB LYS+ 33 20.000% * 20.0028% (0.77 2.16 1.48) = 20.003% kept HN CYS 53 - QB LYS+ 33 20.000% * 1.9714% (0.49 0.34 0.02) = 1.971% kept HN SER 85 - QB LYS+ 33 20.000% * 0.0380% (0.16 0.02 0.02) = 0.038% Peak 2490 (8.63, 1.86, 32.27 ppm): 3 chemical-shift based assignments, quality = 0.721, support = 0.721, residual support = 0.538: HN SER 82 - QB LYS+ 33 33.333% * 96.0503% (0.73 0.75 0.56) = 96.050% kept HN GLN 90 - QB LYS+ 33 33.333% * 2.3949% (0.68 0.02 0.02) = 2.395% kept HN ILE 103 - QB LYS+ 33 33.333% * 1.5548% (0.44 0.02 0.02) = 1.555% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2491 (4.02, 1.55, 25.23 ppm): 24 chemical-shift based assignments, quality = 0.379, support = 5.1, residual support = 109.1: O HA LYS+ 33 - HG2 LYS+ 33 4.167% * 94.0143% (0.40 10.0 5.32 115.75) = 94.014% kept HB2 SER 82 - QG LYS+ 81 4.167% * 2.6305% (0.07 1.0 3.17 9.48) = 2.630% kept HA GLU- 29 - HG2 LYS+ 33 4.167% * 1.7950% (0.24 1.0 0.62 0.12) = 1.795% kept HA VAL 70 - HG2 LYS+ 33 4.167% * 0.1829% (0.77 1.0 0.02 0.02) = 0.183% HA GLN 116 - HG2 LYS+ 33 4.167% * 0.1829% (0.77 1.0 0.02 0.02) = 0.183% HB2 SER 37 - HG2 LYS+ 33 4.167% * 0.1829% (0.77 1.0 0.02 0.02) = 0.183% HA GLN 116 - HG2 LYS+ 106 4.167% * 0.0986% (0.42 1.0 0.02 0.02) = 0.099% HA VAL 70 - HG2 LYS+ 106 4.167% * 0.0986% (0.42 1.0 0.02 0.02) = 0.099% HB2 SER 37 - HG2 LYS+ 106 4.167% * 0.0986% (0.42 1.0 0.02 0.02) = 0.099% HA1 GLY 16 - HG2 LYS+ 33 4.167% * 0.0841% (0.35 1.0 0.02 0.02) = 0.084% HA GLN 116 - QG LYS+ 81 4.167% * 0.0809% (0.34 1.0 0.02 0.02) = 0.081% HA VAL 70 - QG LYS+ 81 4.167% * 0.0809% (0.34 1.0 0.02 0.02) = 0.081% HB2 SER 37 - QG LYS+ 81 4.167% * 0.0809% (0.34 1.0 0.02 0.02) = 0.081% HA LYS+ 33 - HG2 LYS+ 106 4.167% * 0.0507% (0.21 1.0 0.02 0.02) = 0.051% HA VAL 18 - HG2 LYS+ 33 4.167% * 0.0504% (0.21 1.0 0.02 0.02) = 0.050% HA1 GLY 16 - HG2 LYS+ 106 4.167% * 0.0453% (0.19 1.0 0.02 0.02) = 0.045% HA LYS+ 33 - QG LYS+ 81 4.167% * 0.0416% (0.18 1.0 0.02 5.24) = 0.042% HB2 SER 82 - HG2 LYS+ 33 4.167% * 0.0375% (0.16 1.0 0.02 0.56) = 0.038% HA1 GLY 16 - QG LYS+ 81 4.167% * 0.0372% (0.16 1.0 0.02 0.02) = 0.037% HA GLU- 29 - HG2 LYS+ 106 4.167% * 0.0311% (0.13 1.0 0.02 0.02) = 0.031% HA VAL 18 - HG2 LYS+ 106 4.167% * 0.0271% (0.11 1.0 0.02 0.02) = 0.027% HA GLU- 29 - QG LYS+ 81 4.167% * 0.0256% (0.11 1.0 0.02 0.02) = 0.026% HA VAL 18 - QG LYS+ 81 4.167% * 0.0223% (0.09 1.0 0.02 0.02) = 0.022% HB2 SER 82 - HG2 LYS+ 106 4.167% * 0.0202% (0.09 1.0 0.02 0.02) = 0.020% Peak 2492 (0.79, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 4.18, residual support = 85.3: T QD1 ILE 56 - QG2 ILE 56 25.000% * 99.8058% (0.97 10.00 4.18 85.51) = 99.806% kept QD2 LEU 73 - QG2 ILE 56 25.000% * 0.0746% (0.73 1.00 0.02 0.45) = 0.075% HG3 LYS+ 121 - QG2 ILE 56 25.000% * 0.0648% (0.63 1.00 0.02 0.02) = 0.065% HG LEU 31 - QG2 ILE 56 25.000% * 0.0549% (0.53 1.00 0.02 0.11) = 0.055% Peak 2493 (4.17, 1.27, 17.92 ppm): 5 chemical-shift based assignments, quality = 0.816, support = 0.0352, residual support = 0.0199: T HA CYS 53 - QG2 ILE 56 20.000% * 46.7645% (0.99 10.00 0.02 0.02) = 46.765% kept T HA ILE 19 - QG2 ILE 56 20.000% * 36.5516% (0.77 10.00 0.02 0.02) = 36.552% kept HA THR 26 - QG2 ILE 56 20.000% * 13.7372% (0.44 1.00 0.13 0.02) = 13.737% kept HA GLU- 25 - QG2 ILE 56 20.000% * 2.3056% (0.49 1.00 0.02 0.02) = 2.306% kept HA GLU- 114 - QG2 ILE 56 20.000% * 0.6410% (0.14 1.00 0.02 0.02) = 0.641% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2494 (4.45, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.831, support = 3.2, residual support = 13.2: HA PHE 55 - QG2 ILE 56 25.000% * 77.4628% (0.89 3.92 16.77) = 77.463% kept HA GLN 90 - QG2 ILE 56 25.000% * 12.0669% (0.68 0.80 0.93) = 12.067% kept HA ALA 110 - QG2 ILE 56 25.000% * 9.0247% (0.53 0.76 0.79) = 9.025% kept HA VAL 42 - QG2 ILE 56 25.000% * 1.4456% (0.73 0.09 0.02) = 1.446% kept Peak 2495 (6.89, 1.27, 17.92 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 1.5, residual support = 4.85: HN LYS+ 65 - QG2 ILE 56 100.000% *100.0000% (0.63 1.50 4.85) = 100.000% kept Peak 2496 (7.40, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.853, support = 3.58, residual support = 12.4: HN ALA 57 - QG2 ILE 56 25.000% * 74.1898% (0.89 4.47 16.41) = 74.190% kept HE21 GLN 90 - QG2 ILE 56 25.000% * 18.8375% (0.77 1.31 0.93) = 18.837% kept HE21 GLN 116 - QG2 ILE 56 25.000% * 4.6729% (0.81 0.31 0.11) = 4.673% kept HN ALA 120 - QG2 ILE 56 25.000% * 2.2998% (0.35 0.35 0.02) = 2.300% kept Peak 2497 (7.60, 1.27, 17.92 ppm): 6 chemical-shift based assignments, quality = 0.586, support = 4.49, residual support = 60.7: HN ILE 56 - QG2 ILE 56 16.667% * 70.4696% (0.53 6.03 85.51) = 70.470% kept HZ2 TRP 87 - QG2 ILE 56 16.667% * 15.4772% (0.68 1.04 2.55) = 15.477% kept HD21 ASN 28 - QG2 ILE 56 16.667% * 11.2771% (0.89 0.58 0.36) = 11.277% kept HN LYS+ 111 - QG2 ILE 56 16.667% * 2.4095% (0.16 0.70 0.84) = 2.410% kept HN LEU 63 - QG2 ILE 56 16.667% * 0.2973% (0.68 0.02 0.02) = 0.297% HN ALA 84 - QG2 ILE 56 16.667% * 0.0693% (0.16 0.02 0.02) = 0.069% Peak 2498 (3.86, 1.28, 18.57 ppm): 8 chemical-shift based assignments, quality = 0.718, support = 1.74, residual support = 1.48: T HB THR 39 - QB ALA 34 12.500% * 83.4049% (0.73 10.00 1.90 1.69) = 83.405% kept QB SER 13 - QB ALA 34 12.500% * 5.4501% (0.76 1.00 1.19 0.49) = 5.450% kept HB3 SER 82 - QB ALA 34 12.500% * 5.1640% (0.84 1.00 1.02 0.73) = 5.164% kept HA GLN 30 - QB ALA 34 12.500% * 2.0634% (0.30 1.00 1.13 0.15) = 2.063% kept HB3 SER 37 - QB ALA 34 12.500% * 1.4647% (0.58 1.00 0.42 0.02) = 1.465% kept HA ILE 89 - QB ALA 34 12.500% * 1.4647% (0.58 1.00 0.42 0.02) = 1.465% kept HD3 PRO 52 - QB ALA 34 12.500% * 0.9633% (0.38 1.00 0.43 0.02) = 0.963% HB THR 118 - QB ALA 34 12.500% * 0.0250% (0.21 1.00 0.02 0.02) = 0.025% Peak 2499 (3.63, 1.28, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.539, support = 1.73, residual support = 8.35: HA LEU 31 - QB ALA 34 100.000% *100.0000% (0.54 1.73 8.35) = 100.000% kept Peak 2500 (0.77, 1.28, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 1.35, residual support = 2.6: T QG1 VAL 41 - QB ALA 34 14.286% * 84.7520% (0.66 10.00 1.29 1.71) = 84.752% kept HG LEU 31 - QB ALA 34 14.286% * 13.8541% (0.76 1.00 1.83 8.35) = 13.854% kept T QD1 ILE 56 - QB ALA 34 14.286% * 0.6750% (0.34 10.00 0.02 0.02) = 0.675% T QG2 VAL 18 - QB ALA 34 14.286% * 0.4732% (0.24 10.00 0.02 0.02) = 0.473% QD2 LEU 73 - QB ALA 34 14.286% * 0.1236% (0.62 1.00 0.02 0.02) = 0.124% QG1 VAL 43 - QB ALA 34 14.286% * 0.0909% (0.46 1.00 0.02 0.02) = 0.091% QG2 THR 46 - QB ALA 34 14.286% * 0.0313% (0.16 1.00 0.02 0.02) = 0.031% Peak 2501 (8.38, 1.28, 18.57 ppm): 4 chemical-shift based assignments, quality = 0.62, support = 2.42, residual support = 8.73: HN ASN 35 - QB ALA 34 25.000% * 64.9299% (0.50 3.20 13.07) = 64.930% kept HN ALA 12 - QB ALA 34 25.000% * 34.8133% (0.85 1.00 0.71) = 34.813% kept HN LEU 115 - QB ALA 34 25.000% * 0.1284% (0.16 0.02 0.51) = 0.128% HN PHE 97 - QB ALA 34 25.000% * 0.1284% (0.16 0.02 0.02) = 0.128% Peak 2502 (8.09, 1.28, 18.57 ppm): 4 chemical-shift based assignments, quality = 0.463, support = 3.13, residual support = 17.1: O HN ALA 34 - QB ALA 34 25.000% * 93.6808% (0.46 10.0 3.27 18.21) = 93.681% kept HN LEU 80 - QB ALA 34 25.000% * 6.1296% (0.58 1.0 1.03 0.02) = 6.130% kept HN CYS 53 - QB ALA 34 25.000% * 0.1619% (0.79 1.0 0.02 0.02) = 0.162% HN THR 26 - QB ALA 34 25.000% * 0.0278% (0.14 1.0 0.02 0.02) = 0.028% Peak 2503 (8.08, 4.13, 54.46 ppm): 8 chemical-shift based assignments, quality = 0.811, support = 2.99, residual support = 17.3: O HN ALA 34 - HA ALA 34 12.500% * 95.1384% (0.81 10.0 3.10 18.21) = 95.138% kept HN LEU 80 - HA ALA 34 12.500% * 4.4563% (0.85 1.0 0.89 0.02) = 4.456% kept HN ALA 34 - HA ALA 124 12.500% * 0.1917% (0.16 1.0 0.21 0.02) = 0.192% HN CYS 53 - HA ALA 34 12.500% * 0.0924% (0.79 1.0 0.02 0.02) = 0.092% HN LEU 80 - HA ALA 124 12.500% * 0.0844% (0.16 1.0 0.09 0.02) = 0.084% HN CYS 53 - HA ALA 124 12.500% * 0.0179% (0.15 1.0 0.02 0.02) = 0.018% HN GLN 32 - HA ALA 34 12.500% * 0.0159% (0.14 1.0 0.02 0.02) = 0.016% HN GLN 32 - HA ALA 124 12.500% * 0.0031% (0.03 1.0 0.02 0.02) = 0.003% Peak 2504 (3.87, 4.13, 54.46 ppm): 12 chemical-shift based assignments, quality = 0.709, support = 0.747, residual support = 0.904: QB SER 13 - HA ALA 34 8.333% * 37.2359% (0.81 0.79 0.49) = 37.236% kept HB THR 39 - HA ALA 34 8.333% * 30.1585% (0.83 0.62 1.69) = 30.158% kept HB3 SER 82 - HA ALA 34 8.333% * 28.9337% (0.54 0.92 0.73) = 28.934% kept HA ILE 89 - HA ALA 34 8.333% * 0.9940% (0.85 0.02 0.02) = 0.994% HB3 SER 37 - HA ALA 34 8.333% * 0.9940% (0.85 0.02 0.02) = 0.994% HB THR 118 - HA ALA 34 8.333% * 0.6770% (0.58 0.02 0.02) = 0.677% HB3 SER 37 - HA ALA 124 8.333% * 0.1921% (0.16 0.02 0.02) = 0.192% HA ILE 89 - HA ALA 124 8.333% * 0.1921% (0.16 0.02 0.02) = 0.192% HB THR 39 - HA ALA 124 8.333% * 0.1872% (0.16 0.02 0.02) = 0.187% QB SER 13 - HA ALA 124 8.333% * 0.1831% (0.16 0.02 0.02) = 0.183% HB THR 118 - HA ALA 124 8.333% * 0.1308% (0.11 0.02 0.02) = 0.131% HB3 SER 82 - HA ALA 124 8.333% * 0.1216% (0.10 0.02 0.02) = 0.122% Peak 2505 (4.39, 2.95, 38.12 ppm): 18 chemical-shift based assignments, quality = 0.842, support = 3.91, residual support = 47.3: O T HA ASN 35 - HB2 ASN 35 5.556% * 98.5007% (0.85 10.0 10.00 3.97 48.03) = 98.501% kept T HA LEU 40 - HB2 ASN 35 5.556% * 0.6154% (0.53 1.0 10.00 0.02 0.02) = 0.615% T HA ASN 35 - HB2 ASN 28 5.556% * 0.2153% (0.19 1.0 10.00 0.02 0.02) = 0.215% T HA LEU 40 - HB2 ASN 28 5.556% * 0.1345% (0.12 1.0 10.00 0.02 0.02) = 0.134% HA LEU 123 - HB2 ASN 35 5.556% * 0.1120% (0.97 1.0 1.00 0.02 0.02) = 0.112% HA ILE 56 - HB2 ASN 35 5.556% * 0.1027% (0.89 1.0 1.00 0.02 0.02) = 0.103% HA LYS+ 99 - HB2 ASN 35 5.556% * 0.0782% (0.68 1.0 1.00 0.02 0.02) = 0.078% HA PRO 58 - HB2 ASN 35 5.556% * 0.0409% (0.35 1.0 1.00 0.02 0.02) = 0.041% HA GLU- 15 - HB2 ASN 35 5.556% * 0.0363% (0.31 1.0 1.00 0.02 0.02) = 0.036% HA SER 13 - HB2 ASN 35 5.556% * 0.0363% (0.31 1.0 1.00 0.02 0.02) = 0.036% HA ASP- 113 - HB2 ASN 35 5.556% * 0.0320% (0.28 1.0 1.00 0.02 0.02) = 0.032% HA LEU 123 - HB2 ASN 28 5.556% * 0.0245% (0.21 1.0 1.00 0.02 0.02) = 0.024% HA ILE 56 - HB2 ASN 28 5.556% * 0.0224% (0.19 1.0 1.00 0.02 0.36) = 0.022% HA LYS+ 99 - HB2 ASN 28 5.556% * 0.0171% (0.15 1.0 1.00 0.02 0.62) = 0.017% HA PRO 58 - HB2 ASN 28 5.556% * 0.0089% (0.08 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 15 - HB2 ASN 28 5.556% * 0.0079% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA SER 13 - HB2 ASN 28 5.556% * 0.0079% (0.07 1.0 1.00 0.02 0.02) = 0.008% HA ASP- 113 - HB2 ASN 28 5.556% * 0.0070% (0.06 1.0 1.00 0.02 0.02) = 0.007% Peak 2506 (8.35, 2.95, 38.12 ppm): 8 chemical-shift based assignments, quality = 0.429, support = 5.07, residual support = 45.8: O HN ASN 35 - HB2 ASN 35 12.500% * 95.4564% (0.44 10.0 5.30 48.03) = 95.456% kept HN LYS+ 99 - HB2 ASN 35 12.500% * 1.7745% (0.44 1.0 0.37 0.02) = 1.774% kept HN LYS+ 99 - HB2 ASN 28 12.500% * 0.9369% (0.10 1.0 0.90 0.62) = 0.937% HE1 HIS 122 - HB2 ASN 28 12.500% * 0.9028% (0.08 1.0 1.08 0.88) = 0.903% HN GLU- 14 - HB2 ASN 28 12.500% * 0.5080% (0.05 1.0 1.01 0.72) = 0.508% HN ASN 35 - HB2 ASN 28 12.500% * 0.2986% (0.10 1.0 0.29 0.02) = 0.299% HE1 HIS 122 - HB2 ASN 35 12.500% * 0.0768% (0.35 1.0 0.02 0.02) = 0.077% HN GLU- 14 - HB2 ASN 35 12.500% * 0.0460% (0.21 1.0 0.02 0.02) = 0.046% Peak 2508 (7.37, 2.95, 38.12 ppm): 8 chemical-shift based assignments, quality = 0.998, support = 3.43, residual support = 47.9: O HD21 ASN 35 - HB2 ASN 35 12.500% * 99.8171% (1.00 10.0 3.43 48.03) = 99.817% kept HD2 HIS 22 - HB2 ASN 35 12.500% * 0.0678% (0.68 1.0 0.02 0.02) = 0.068% HD1 TRP 49 - HB2 ASN 35 12.500% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HD21 ASN 35 - HB2 ASN 28 12.500% * 0.0218% (0.22 1.0 0.02 0.02) = 0.022% HN LEU 67 - HB2 ASN 35 12.500% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% HD2 HIS 22 - HB2 ASN 28 12.500% * 0.0148% (0.15 1.0 0.02 0.02) = 0.015% HD1 TRP 49 - HB2 ASN 28 12.500% * 0.0106% (0.11 1.0 0.02 0.02) = 0.011% HN LEU 67 - HB2 ASN 28 12.500% * 0.0035% (0.03 1.0 0.02 0.02) = 0.003% Peak 2509 (3.98, 2.95, 38.12 ppm): 20 chemical-shift based assignments, quality = 0.326, support = 1.76, residual support = 3.85: T HA GLU- 29 - HB2 ASN 35 5.000% * 54.5895% (0.21 10.00 1.57 2.14) = 54.589% kept T HA GLU- 29 - HB2 ASN 28 5.000% * 15.2159% (0.05 10.00 4.91 17.39) = 15.216% kept HA ALA 88 - HB2 ASN 35 5.000% * 9.9616% (0.97 1.00 0.63 0.13) = 9.962% kept HA SER 48 - HB2 ASN 35 5.000% * 6.4702% (0.77 1.00 0.51 0.10) = 6.470% kept HB2 SER 82 - HB2 ASN 35 5.000% * 4.9017% (0.31 1.00 0.95 0.24) = 4.902% kept T HA GLN 32 - HB2 ASN 35 5.000% * 3.2345% (0.99 10.00 0.02 0.02) = 3.235% kept HA VAL 18 - HB2 ASN 35 5.000% * 2.3743% (0.24 1.00 0.59 0.02) = 2.374% kept T HA LYS+ 65 - HB2 ASN 35 5.000% * 1.0320% (0.31 10.00 0.02 0.02) = 1.032% kept T HA GLN 32 - HB2 ASN 28 5.000% * 0.7069% (0.22 10.00 0.02 0.02) = 0.707% HA ALA 88 - HB2 ASN 28 5.000% * 0.6100% (0.21 1.00 0.18 0.02) = 0.610% HD2 PRO 52 - HB2 ASN 35 5.000% * 0.3183% (0.97 1.00 0.02 0.02) = 0.318% T HA LYS+ 65 - HB2 ASN 28 5.000% * 0.2255% (0.07 10.00 0.02 0.02) = 0.226% QB SER 85 - HB2 ASN 35 5.000% * 0.0799% (0.24 1.00 0.02 0.02) = 0.080% HA2 GLY 16 - HB2 ASN 35 5.000% * 0.0799% (0.24 1.00 0.02 0.02) = 0.080% HD2 PRO 52 - HB2 ASN 28 5.000% * 0.0696% (0.21 1.00 0.02 0.02) = 0.070% HA SER 48 - HB2 ASN 28 5.000% * 0.0553% (0.17 1.00 0.02 0.02) = 0.055% HB2 SER 82 - HB2 ASN 28 5.000% * 0.0226% (0.07 1.00 0.02 0.02) = 0.023% HA2 GLY 16 - HB2 ASN 28 5.000% * 0.0175% (0.05 1.00 0.02 0.02) = 0.017% QB SER 85 - HB2 ASN 28 5.000% * 0.0175% (0.05 1.00 0.02 0.02) = 0.017% HA VAL 18 - HB2 ASN 28 5.000% * 0.0175% (0.05 1.00 0.02 0.02) = 0.017% Peak 2510 (2.15, 2.86, 38.12 ppm): 5 chemical-shift based assignments, quality = 0.928, support = 3.24, residual support = 22.4: QB GLU- 36 - HB3 ASN 35 20.000% * 63.4467% (0.99 4.43 34.38) = 63.447% kept HB3 GLU- 29 - HB3 ASN 35 20.000% * 19.8714% (0.89 1.54 2.14) = 19.871% kept HB3 GLU- 79 - HB3 ASN 35 20.000% * 10.7341% (0.95 0.78 0.48) = 10.734% kept HG3 GLU- 29 - HB3 ASN 35 20.000% * 5.0411% (0.44 0.79 2.14) = 5.041% kept HB2 GLN 90 - HB3 ASN 35 20.000% * 0.9066% (0.68 0.09 0.02) = 0.907% Peak 2511 (2.15, 2.95, 38.12 ppm): 10 chemical-shift based assignments, quality = 0.828, support = 3.64, residual support = 22.2: QB GLU- 36 - HB2 ASN 35 10.000% * 56.2582% (0.99 4.83 34.38) = 56.258% kept HB3 GLU- 29 - HB2 ASN 35 10.000% * 16.1417% (0.89 1.54 2.14) = 16.142% kept HB3 GLU- 29 - HB2 ASN 28 10.000% * 9.7302% (0.19 4.24 17.39) = 9.730% kept HB3 GLU- 79 - HB2 ASN 35 10.000% * 9.6370% (0.95 0.86 0.48) = 9.637% kept HG3 GLU- 29 - HB2 ASN 28 10.000% * 4.1605% (0.10 3.66 17.39) = 4.161% kept HG3 GLU- 29 - HB2 ASN 35 10.000% * 3.2015% (0.44 0.62 2.14) = 3.202% kept HB2 GLN 90 - HB2 ASN 35 10.000% * 0.7360% (0.68 0.09 0.02) = 0.736% QB GLU- 36 - HB2 ASN 28 10.000% * 0.0509% (0.22 0.02 0.02) = 0.051% HB3 GLU- 79 - HB2 ASN 28 10.000% * 0.0489% (0.21 0.02 0.02) = 0.049% HB2 GLN 90 - HB2 ASN 28 10.000% * 0.0350% (0.15 0.02 0.02) = 0.035% Peak 2512 (4.00, 2.86, 38.12 ppm): 10 chemical-shift based assignments, quality = 0.865, support = 0.991, residual support = 1.0: HA GLU- 29 - HB3 ASN 35 10.000% * 32.6221% (0.99 1.43 2.14) = 32.622% kept HA LYS+ 33 - HB3 ASN 35 10.000% * 20.6876% (0.89 1.00 1.15) = 20.688% kept HB2 SER 82 - HB3 ASN 35 10.000% * 18.8300% (1.00 0.82 0.24) = 18.830% kept HA SER 48 - HB3 ASN 35 10.000% * 10.6991% (0.68 0.68 0.10) = 10.699% kept HA ALA 88 - HB3 ASN 35 10.000% * 7.6204% (0.40 0.83 0.13) = 7.620% kept HA VAL 18 - HB3 ASN 35 10.000% * 5.5692% (1.00 0.24 0.02) = 5.569% kept HA GLN 32 - HB3 ASN 35 10.000% * 3.3923% (0.35 0.41 0.02) = 3.392% kept HA GLN 116 - HB3 ASN 35 10.000% * 0.2471% (0.53 0.02 0.02) = 0.247% HA VAL 70 - HB3 ASN 35 10.000% * 0.2471% (0.53 0.02 0.02) = 0.247% HD2 PRO 52 - HB3 ASN 35 10.000% * 0.0851% (0.18 0.02 0.02) = 0.085% Peak 2513 (4.39, 2.86, 38.12 ppm): 9 chemical-shift based assignments, quality = 0.851, support = 3.66, residual support = 47.8: O HA ASN 35 - HB3 ASN 35 11.111% * 99.4951% (0.85 10.0 3.67 48.03) = 99.495% kept HA LEU 123 - HB3 ASN 35 11.111% * 0.1131% (0.97 1.0 0.02 0.02) = 0.113% HA ILE 56 - HB3 ASN 35 11.111% * 0.1037% (0.89 1.0 0.02 0.02) = 0.104% HA LYS+ 99 - HB3 ASN 35 11.111% * 0.0790% (0.68 1.0 0.02 0.02) = 0.079% HA LEU 40 - HB3 ASN 35 11.111% * 0.0622% (0.53 1.0 0.02 0.02) = 0.062% HA PRO 58 - HB3 ASN 35 11.111% * 0.0413% (0.35 1.0 0.02 0.02) = 0.041% HA SER 13 - HB3 ASN 35 11.111% * 0.0367% (0.31 1.0 0.02 0.02) = 0.037% HA GLU- 15 - HB3 ASN 35 11.111% * 0.0367% (0.31 1.0 0.02 0.02) = 0.037% HA ASP- 113 - HB3 ASN 35 11.111% * 0.0324% (0.28 1.0 0.02 0.02) = 0.032% Peak 2514 (7.37, 2.86, 38.12 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.11, residual support = 48.0: O HD21 ASN 35 - HB3 ASN 35 25.000% * 99.8678% (1.00 10.0 3.12 48.03) = 99.868% kept HD2 HIS 22 - HB3 ASN 35 25.000% * 0.0678% (0.68 1.0 0.02 0.02) = 0.068% HD1 TRP 49 - HB3 ASN 35 25.000% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HN LEU 67 - HB3 ASN 35 25.000% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 2515 (7.76, 2.86, 38.12 ppm): 5 chemical-shift based assignments, quality = 0.924, support = 4.41, residual support = 26.4: HN GLU- 36 - HB3 ASN 35 20.000% * 76.5221% (0.95 5.57 34.38) = 76.522% kept HD1 TRP 87 - HB3 ASN 35 20.000% * 8.3267% (0.89 0.65 0.15) = 8.327% kept HN THR 39 - HB3 ASN 35 20.000% * 7.7779% (0.85 0.63 0.26) = 7.778% kept HN LYS+ 102 - HB3 ASN 35 20.000% * 7.3201% (0.77 0.66 0.11) = 7.320% kept HN TRP 27 - HB3 ASN 35 20.000% * 0.0532% (0.18 0.02 0.02) = 0.053% Peak 2516 (8.37, 2.86, 38.12 ppm): 2 chemical-shift based assignments, quality = 0.948, support = 5.13, residual support = 47.4: O HN ASN 35 - HB3 ASN 35 50.000% * 98.7794% (0.95 10.0 5.19 48.03) = 98.779% kept HN ALA 12 - HB3 ASN 35 50.000% * 1.2206% (0.81 1.0 0.29 0.02) = 1.221% kept Peak 2517 (6.53, 2.86, 38.12 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 3.12, residual support = 48.0: O HD22 ASN 35 - HB3 ASN 35 100.000% *100.0000% (0.99 10.0 3.12 48.03) = 100.000% kept Peak 2518 (7.77, 2.95, 38.12 ppm): 8 chemical-shift based assignments, quality = 0.837, support = 4.39, residual support = 26.4: HN GLU- 36 - HB2 ASN 35 12.500% * 76.7189% (0.89 5.49 34.38) = 76.719% kept HN LYS+ 102 - HB2 ASN 35 12.500% * 10.4207% (1.00 0.67 0.11) = 10.421% kept HN THR 39 - HB2 ASN 35 12.500% * 5.9296% (0.40 0.95 0.26) = 5.930% kept HD1 TRP 87 - HB2 ASN 35 12.500% * 5.8400% (0.44 0.84 0.15) = 5.840% kept HD1 TRP 87 - HB2 ASN 28 12.500% * 0.9343% (0.10 0.62 0.02) = 0.934% HN LYS+ 102 - HB2 ASN 28 12.500% * 0.0683% (0.22 0.02 0.02) = 0.068% HN GLU- 36 - HB2 ASN 28 12.500% * 0.0611% (0.19 0.02 0.02) = 0.061% HN THR 39 - HB2 ASN 28 12.500% * 0.0272% (0.09 0.02 0.02) = 0.027% Peak 2519 (4.09, 2.15, 30.04 ppm): 8 chemical-shift based assignments, quality = 0.732, support = 4.69, residual support = 66.0: O T HA GLU- 36 - QB GLU- 36 12.500% * 92.8578% (0.77 10.0 10.00 5.01 71.08) = 92.858% kept T HA GLU- 36 - HB3 GLU- 29 12.500% * 6.9541% (0.22 1.0 10.00 0.51 0.12) = 6.954% kept HA LYS+ 81 - QB GLU- 36 12.500% * 0.0759% (0.63 1.0 1.00 0.02 0.02) = 0.076% HA LYS+ 66 - QB GLU- 36 12.500% * 0.0477% (0.40 1.0 1.00 0.02 0.02) = 0.048% HA ALA 124 - QB GLU- 36 12.500% * 0.0221% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA LYS+ 81 - HB3 GLU- 29 12.500% * 0.0221% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA LYS+ 66 - HB3 GLU- 29 12.500% * 0.0139% (0.12 1.0 1.00 0.02 0.02) = 0.014% HA ALA 124 - HB3 GLU- 29 12.500% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% Peak 2520 (7.93, 2.15, 30.04 ppm): 10 chemical-shift based assignments, quality = 0.354, support = 2.99, residual support = 10.7: HN SER 37 - QB GLU- 36 10.000% * 79.1677% (0.31 3.69 13.43) = 79.168% kept HN ILE 89 - QB GLU- 36 10.000% * 14.9700% (0.53 0.41 0.71) = 14.970% kept HN LYS+ 33 - QB GLU- 36 10.000% * 2.3552% (0.16 0.22 0.02) = 2.355% kept HN CYS 21 - QB GLU- 36 10.000% * 1.2957% (0.95 0.02 0.02) = 1.296% kept HN ILE 119 - QB GLU- 36 10.000% * 1.1112% (0.81 0.02 0.02) = 1.111% kept HN CYS 21 - HB3 GLU- 29 10.000% * 0.3771% (0.28 0.02 0.02) = 0.377% HN ILE 119 - HB3 GLU- 29 10.000% * 0.3234% (0.24 0.02 0.02) = 0.323% HN ILE 89 - HB3 GLU- 29 10.000% * 0.2120% (0.16 0.02 0.02) = 0.212% HN SER 37 - HB3 GLU- 29 10.000% * 0.1250% (0.09 0.02 0.02) = 0.125% HN LYS+ 33 - HB3 GLU- 29 10.000% * 0.0628% (0.05 0.02 0.12) = 0.063% Peak 2521 (7.77, 2.15, 30.04 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 6.05, residual support = 64.1: O HN GLU- 36 - QB GLU- 36 12.500% * 90.0631% (0.58 10.0 6.58 71.08) = 90.063% kept HN LYS+ 102 - QB GLU- 36 12.500% * 5.6573% (0.81 1.0 0.90 0.34) = 5.657% kept HN THR 39 - QB GLU- 36 12.500% * 2.1949% (0.16 1.0 1.79 1.11) = 2.195% kept HN GLU- 36 - HB3 GLU- 29 12.500% * 2.0042% (0.17 1.0 1.53 0.12) = 2.004% kept HN LYS+ 102 - HB3 GLU- 29 12.500% * 0.0367% (0.24 1.0 0.02 0.02) = 0.037% HD1 TRP 87 - QB GLU- 36 12.500% * 0.0285% (0.18 1.0 0.02 0.02) = 0.028% HD1 TRP 87 - HB3 GLU- 29 12.500% * 0.0083% (0.05 1.0 0.02 0.52) = 0.008% HN THR 39 - HB3 GLU- 29 12.500% * 0.0071% (0.05 1.0 0.02 0.02) = 0.007% Peak 2522 (7.78, 2.46, 36.40 ppm): 3 chemical-shift based assignments, quality = 0.2, support = 3.62, residual support = 53.4: HN GLU- 36 - HG2 GLU- 36 33.333% * 75.0639% (0.16 4.59 71.08) = 75.064% kept HN LYS+ 102 - HG2 GLU- 36 33.333% * 23.8318% (0.31 0.73 0.34) = 23.832% kept HN ASP- 105 - HG2 GLU- 36 33.333% * 1.1042% (0.53 0.02 0.02) = 1.104% kept Peak 2523 (7.77, 2.31, 36.40 ppm): 8 chemical-shift based assignments, quality = 0.562, support = 4.0, residual support = 60.5: HN GLU- 36 - HG3 GLU- 36 12.500% * 85.0111% (0.58 4.59 71.08) = 85.011% kept HN LYS+ 102 - HG3 GLU- 36 12.500% * 6.5866% (0.81 0.25 0.34) = 6.587% kept HN THR 39 - HG3 GLU- 36 12.500% * 6.1637% (0.16 1.22 1.11) = 6.164% kept HD1 TRP 87 - HG3 GLU- 36 12.500% * 2.1489% (0.18 0.37 0.02) = 2.149% kept HN LYS+ 102 - QB MET 11 12.500% * 0.0420% (0.07 0.02 0.02) = 0.042% HN GLU- 36 - QB MET 11 12.500% * 0.0300% (0.05 0.02 0.02) = 0.030% HD1 TRP 87 - QB MET 11 12.500% * 0.0095% (0.01 0.02 0.02) = 0.009% HN THR 39 - QB MET 11 12.500% * 0.0082% (0.01 0.02 0.02) = 0.008% Peak 2524 (7.78, 4.10, 58.69 ppm): 3 chemical-shift based assignments, quality = 0.17, support = 5.41, residual support = 65.1: O HN GLU- 36 - HA GLU- 36 33.333% * 91.6194% (0.16 10.0 5.83 71.08) = 91.619% kept HN LYS+ 102 - HA GLU- 36 33.333% * 8.0715% (0.31 1.0 0.89 0.34) = 8.071% kept HN ASP- 105 - HA GLU- 36 33.333% * 0.3091% (0.53 1.0 0.02 0.02) = 0.309% Peak 2525 (7.91, 4.03, 64.19 ppm): 4 chemical-shift based assignments, quality = 0.956, support = 3.2, residual support = 24.7: O HN SER 37 - HB2 SER 37 25.000% * 94.9005% (0.97 10.0 3.33 25.95) = 94.901% kept HN ILE 119 - HB2 SER 37 25.000% * 4.1535% (0.81 1.0 1.04 1.69) = 4.154% kept HN ILE 89 - HB2 SER 37 25.000% * 0.9188% (0.99 1.0 0.19 0.02) = 0.919% HN CYS 21 - HB2 SER 37 25.000% * 0.0272% (0.28 1.0 0.02 0.02) = 0.027% Peak 2526 (8.29, 3.88, 64.19 ppm): 8 chemical-shift based assignments, quality = 0.612, support = 0.139, residual support = 0.0199: HN GLU- 29 - HB3 SER 37 12.500% * 60.2992% (0.75 0.19 0.02) = 60.299% kept HN GLU- 29 - QB SER 13 12.500% * 17.8134% (0.51 0.08 0.02) = 17.813% kept HN GLN 30 - HB3 SER 37 12.500% * 12.1473% (0.34 0.08 0.02) = 12.147% kept HN ASP- 86 - HB3 SER 37 12.500% * 3.5453% (0.41 0.02 0.02) = 3.545% kept HN ASP- 86 - QB SER 13 12.500% * 2.4244% (0.28 0.02 0.02) = 2.424% kept HN GLN 30 - QB SER 13 12.500% * 2.0009% (0.23 0.02 0.02) = 2.001% kept HN VAL 18 - HB3 SER 37 12.500% * 1.0509% (0.12 0.02 0.02) = 1.051% kept HN VAL 18 - QB SER 13 12.500% * 0.7186% (0.08 0.02 0.02) = 0.719% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2527 (7.88, 3.78, 58.04 ppm): 2 chemical-shift based assignments, quality = 0.887, support = 6.04, residual support = 191.4: O HN LYS+ 38 - HA LYS+ 38 50.000% * 99.4957% (0.89 10.0 6.07 192.34) = 99.496% kept HN ARG+ 54 - HA LYS+ 38 50.000% * 0.5043% (0.35 1.0 0.25 0.39) = 0.504% Peak 2528 (7.75, 3.78, 58.04 ppm): 5 chemical-shift based assignments, quality = 0.874, support = 5.47, residual support = 18.9: O HN THR 39 - HA LYS+ 38 20.000% * 87.5695% (0.89 10.0 6.04 21.30) = 87.570% kept HN GLU- 36 - HA LYS+ 38 20.000% * 4.9431% (0.92 1.0 1.09 1.43) = 4.943% kept HD1 TRP 87 - HA LYS+ 38 20.000% * 4.5127% (0.92 1.0 1.00 0.93) = 4.513% kept HN TRP 27 - HA LYS+ 38 20.000% * 2.9034% (0.21 1.0 2.78 3.63) = 2.903% kept HN LYS+ 102 - HA LYS+ 38 20.000% * 0.0714% (0.73 1.0 0.02 0.59) = 0.071% Peak 2529 (7.91, 2.18, 29.57 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 5.04, residual support = 13.5: HN SER 37 - HB2 LYS+ 38 25.000% * 99.2593% (1.00 5.08 13.64) = 99.259% kept HN ILE 89 - HB2 LYS+ 38 25.000% * 0.3726% (0.95 0.02 0.02) = 0.373% HN ILE 119 - HB2 LYS+ 38 25.000% * 0.2848% (0.73 0.02 0.02) = 0.285% HN CYS 21 - HB2 LYS+ 38 25.000% * 0.0833% (0.21 0.02 0.02) = 0.083% Peak 2530 (7.77, 2.18, 29.57 ppm): 4 chemical-shift based assignments, quality = 0.468, support = 3.92, residual support = 12.4: HN THR 39 - HB2 LYS+ 38 25.000% * 55.7097% (0.31 6.03 21.30) = 55.710% kept HN GLU- 36 - HB2 LYS+ 38 25.000% * 29.9662% (0.81 1.25 1.43) = 29.966% kept HD1 TRP 87 - HB2 LYS+ 38 25.000% * 13.7540% (0.35 1.32 0.93) = 13.754% kept HN LYS+ 102 - HB2 LYS+ 38 25.000% * 0.5701% (0.97 0.02 0.59) = 0.570% Peak 2531 (7.89, 1.32, 25.69 ppm): 6 chemical-shift based assignments, quality = 0.618, support = 5.46, residual support = 152.6: HN LYS+ 38 - HG2 LYS+ 38 16.667% * 77.7756% (0.73 5.69 192.34) = 77.776% kept HN SER 37 - HG2 LYS+ 38 16.667% * 21.7819% (0.24 4.75 13.64) = 21.782% kept HN ARG+ 54 - HG2 LYS+ 38 16.667% * 0.3222% (0.21 0.08 0.39) = 0.322% HN LYS+ 38 - HG2 LYS+ 99 16.667% * 0.0738% (0.20 0.02 0.73) = 0.074% HN SER 37 - HG2 LYS+ 99 16.667% * 0.0248% (0.07 0.02 0.02) = 0.025% HN ARG+ 54 - HG2 LYS+ 99 16.667% * 0.0216% (0.06 0.02 0.02) = 0.022% Peak 2532 (7.89, 1.26, 25.69 ppm): 6 chemical-shift based assignments, quality = 0.601, support = 5.27, residual support = 145.8: HN LYS+ 38 - HG3 LYS+ 38 16.667% * 74.2159% (0.73 5.56 192.34) = 74.216% kept HN SER 37 - HG3 LYS+ 38 16.667% * 22.3536% (0.24 4.98 13.64) = 22.354% kept HN ARG+ 54 - HG3 LYS+ 38 16.667% * 3.4010% (0.21 0.87 0.39) = 3.401% kept HN LYS+ 38 - HG3 LYS+ 99 16.667% * 0.0181% (0.05 0.02 0.73) = 0.018% HN SER 37 - HG3 LYS+ 99 16.667% * 0.0061% (0.02 0.02 0.02) = 0.006% HN ARG+ 54 - HG3 LYS+ 99 16.667% * 0.0053% (0.01 0.02 0.02) = 0.005% Peak 2533 (7.75, 4.27, 62.55 ppm): 10 chemical-shift based assignments, quality = 0.925, support = 3.22, residual support = 27.6: O HN THR 39 - HA THR 39 10.000% * 94.9054% (0.95 10.0 3.28 28.39) = 94.905% kept HN LYS+ 102 - HA ILE 103 10.000% * 3.0420% (0.18 1.0 3.36 21.70) = 3.042% kept HD1 TRP 87 - HA THR 39 10.000% * 1.7889% (0.97 1.0 0.37 0.02) = 1.789% kept HN GLU- 36 - HA THR 39 10.000% * 0.0854% (0.85 1.0 0.02 1.11) = 0.085% HN LYS+ 102 - HA THR 39 10.000% * 0.0630% (0.63 1.0 0.02 0.02) = 0.063% HD1 TRP 87 - HA ILE 103 10.000% * 0.0279% (0.28 1.0 0.02 0.67) = 0.028% HN TRP 27 - HA THR 39 10.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HN THR 39 - HA ILE 103 10.000% * 0.0272% (0.27 1.0 0.02 0.02) = 0.027% HN GLU- 36 - HA ILE 103 10.000% * 0.0245% (0.25 1.0 0.02 0.02) = 0.025% HN TRP 27 - HA ILE 103 10.000% * 0.0080% (0.08 1.0 0.02 0.02) = 0.008% Peak 2534 (8.87, 4.27, 62.55 ppm): 4 chemical-shift based assignments, quality = 0.44, support = 4.25, residual support = 21.5: O HN LEU 40 - HA THR 39 25.000% * 99.8295% (0.44 10.0 4.26 21.52) = 99.829% kept HN GLY 101 - HA THR 39 25.000% * 0.1102% (0.49 1.0 0.02 0.02) = 0.110% HN GLY 101 - HA ILE 103 25.000% * 0.0316% (0.14 1.0 0.02 0.02) = 0.032% HN LEU 40 - HA ILE 103 25.000% * 0.0286% (0.13 1.0 0.02 0.02) = 0.029% Peak 2535 (7.75, 3.86, 70.88 ppm): 5 chemical-shift based assignments, quality = 0.949, support = 3.17, residual support = 27.8: O HN THR 39 - HB THR 39 20.000% * 97.9715% (0.95 10.0 3.23 28.39) = 97.971% kept HD1 TRP 87 - HB THR 39 20.000% * 1.8467% (0.97 1.0 0.37 0.02) = 1.847% kept HN GLU- 36 - HB THR 39 20.000% * 0.0882% (0.85 1.0 0.02 1.11) = 0.088% HN LYS+ 102 - HB THR 39 20.000% * 0.0650% (0.63 1.0 0.02 0.02) = 0.065% HN TRP 27 - HB THR 39 20.000% * 0.0287% (0.28 1.0 0.02 0.02) = 0.029% Peak 2536 (8.88, 3.86, 70.88 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 4.16, residual support = 21.5: HN LEU 40 - HB THR 39 100.000% *100.0000% (0.97 4.16 21.52) = 100.000% kept Peak 2539 (8.16, 1.26, 21.81 ppm): 15 chemical-shift based assignments, quality = 0.408, support = 0.0458, residual support = 0.0346: HN GLU- 114 - QG2 THR 23 6.667% * 29.9263% (0.34 0.11 0.02) = 29.926% kept HN GLU- 114 - QG2 THR 39 6.667% * 12.9462% (0.79 0.02 0.02) = 12.946% kept HN GLN 116 - QG2 THR 39 6.667% * 10.2821% (0.63 0.02 0.02) = 10.282% kept HN LEU 71 - QG2 THR 39 6.667% * 7.7586% (0.47 0.02 0.02) = 7.759% kept HN GLU- 114 - QB ALA 91 6.667% * 6.1134% (0.37 0.02 0.02) = 6.113% kept HN THR 118 - QG2 THR 39 6.667% * 5.8732% (0.36 0.02 0.02) = 5.873% kept HN GLN 116 - QB ALA 91 6.667% * 4.8554% (0.30 0.02 0.02) = 4.855% kept HN GLN 116 - QG2 THR 23 6.667% * 4.4745% (0.27 0.02 0.02) = 4.475% kept HN LEU 71 - QB ALA 91 6.667% * 3.6638% (0.22 0.02 0.02) = 3.664% kept HN LEU 71 - QG2 THR 23 6.667% * 3.3764% (0.21 0.02 0.02) = 3.376% kept HN PHE 60 - QG2 THR 39 6.667% * 2.8315% (0.17 0.02 0.53) = 2.831% kept HN THR 118 - QB ALA 91 6.667% * 2.7734% (0.17 0.02 0.02) = 2.773% kept HN THR 118 - QG2 THR 23 6.667% * 2.5559% (0.16 0.02 0.02) = 2.556% kept HN PHE 60 - QB ALA 91 6.667% * 1.3371% (0.08 0.02 0.02) = 1.337% kept HN PHE 60 - QG2 THR 23 6.667% * 1.2322% (0.08 0.02 0.02) = 1.232% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2540 (8.89, 1.26, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 3.83, residual support = 20.6: HN LEU 40 - QG2 THR 39 33.333% * 95.6762% (0.55 3.98 21.52) = 95.676% kept HN LEU 40 - QG2 THR 23 33.333% * 4.0968% (0.24 0.39 0.02) = 4.097% kept HN LEU 40 - QB ALA 91 33.333% * 0.2269% (0.26 0.02 0.02) = 0.227% Peak 2541 (7.74, 1.25, 21.56 ppm): 14 chemical-shift based assignments, quality = 0.486, support = 2.85, residual support = 12.0: O HN ALA 91 - QB ALA 91 7.143% * 83.1546% (0.49 10.0 2.92 10.82) = 83.155% kept HN THR 39 - QG2 THR 39 7.143% * 10.7084% (0.34 1.0 3.66 28.39) = 10.708% kept HN TRP 27 - QB ALA 91 7.143% * 4.5811% (0.89 1.0 0.60 0.02) = 4.581% kept HD1 TRP 87 - QG2 THR 39 7.143% * 1.0095% (0.32 1.0 0.37 0.02) = 1.010% kept HN THR 39 - QB ALA 91 7.143% * 0.1241% (0.73 1.0 0.02 0.02) = 0.124% HD1 TRP 87 - QB ALA 91 7.143% * 0.1160% (0.68 1.0 0.02 0.02) = 0.116% HN TRP 27 - QG2 THR 39 7.143% * 0.0719% (0.42 1.0 0.02 0.02) = 0.072% HN ALA 61 - QB ALA 91 7.143% * 0.0678% (0.40 1.0 0.02 0.02) = 0.068% HN GLU- 36 - QB ALA 91 7.143% * 0.0417% (0.24 1.0 0.02 0.02) = 0.042% HN ALA 91 - QG2 THR 39 7.143% * 0.0393% (0.23 1.0 0.02 0.02) = 0.039% HN ALA 61 - QG2 THR 39 7.143% * 0.0320% (0.19 1.0 0.02 0.02) = 0.032% HE3 TRP 87 - QB ALA 91 7.143% * 0.0231% (0.14 1.0 0.02 0.02) = 0.023% HN GLU- 36 - QG2 THR 39 7.143% * 0.0197% (0.12 1.0 0.02 1.11) = 0.020% HE3 TRP 87 - QG2 THR 39 7.143% * 0.0109% (0.06 1.0 0.02 0.02) = 0.011% Peak 2542 (8.47, 1.25, 21.56 ppm): 10 chemical-shift based assignments, quality = 0.79, support = 2.53, residual support = 6.42: HN MET 92 - QB ALA 91 10.000% * 93.1121% (0.81 2.71 6.89) = 93.112% kept HN LYS+ 74 - QB ALA 91 10.000% * 2.8494% (0.81 0.08 0.02) = 2.849% kept HN THR 46 - QG2 THR 39 10.000% * 1.8171% (0.46 0.09 0.02) = 1.817% kept HN THR 46 - QB ALA 91 10.000% * 0.8182% (0.97 0.02 0.02) = 0.818% HN MET 11 - QB ALA 91 10.000% * 0.3340% (0.40 0.02 0.02) = 0.334% HN MET 92 - QG2 THR 39 10.000% * 0.3240% (0.38 0.02 0.02) = 0.324% HN LYS+ 74 - QG2 THR 39 10.000% * 0.3240% (0.38 0.02 0.02) = 0.324% HN LYS+ 112 - QB ALA 91 10.000% * 0.1789% (0.21 0.02 0.02) = 0.179% HN MET 11 - QG2 THR 39 10.000% * 0.1577% (0.19 0.02 0.02) = 0.158% HN LYS+ 112 - QG2 THR 39 10.000% * 0.0845% (0.10 0.02 0.02) = 0.084% Peak 2543 (4.39, 0.98, 24.07 ppm): 9 chemical-shift based assignments, quality = 0.699, support = 3.39, residual support = 32.9: HA LEU 40 - QD2 LEU 40 11.111% * 38.7010% (0.49 5.57 80.87) = 38.701% kept HA LYS+ 99 - QD2 LEU 40 11.111% * 30.5792% (0.73 2.95 4.82) = 30.579% kept HA LEU 123 - QD2 LEU 40 11.111% * 20.2147% (0.99 1.44 0.52) = 20.215% kept HA ILE 56 - QD2 LEU 40 11.111% * 6.0429% (0.92 0.46 0.63) = 6.043% kept HA ASN 35 - QD2 LEU 40 11.111% * 3.7267% (0.89 0.29 0.02) = 3.727% kept HA PRO 58 - QD2 LEU 40 11.111% * 0.4872% (0.31 0.11 0.02) = 0.487% HA ASP- 113 - QD2 LEU 40 11.111% * 0.0899% (0.31 0.02 0.02) = 0.090% HA SER 13 - QD2 LEU 40 11.111% * 0.0793% (0.28 0.02 0.02) = 0.079% HA GLU- 15 - QD2 LEU 40 11.111% * 0.0793% (0.28 0.02 0.02) = 0.079% Peak 2544 (4.40, 0.91, 26.66 ppm): 11 chemical-shift based assignments, quality = 0.873, support = 3.64, residual support = 64.0: HA LEU 40 - QD1 LEU 40 9.091% * 78.9140% (0.99 4.38 80.87) = 78.914% kept HA LEU 123 - QD1 LEU 40 9.091% * 11.7625% (0.49 1.32 0.52) = 11.762% kept HA ILE 56 - QD1 LEU 40 9.091% * 2.7018% (0.35 0.42 0.63) = 2.702% kept HA LYS+ 99 - QD1 LEU 40 9.091% * 2.1325% (0.18 0.64 4.82) = 2.132% kept HA PRO 58 - QD1 LEU 40 9.091% * 2.1089% (0.89 0.13 0.02) = 2.109% kept HA ASN 35 - QD1 LEU 40 9.091% * 1.5332% (0.31 0.27 0.02) = 1.533% kept HA GLU- 15 - QD1 LEU 40 9.091% * 0.3119% (0.85 0.02 0.02) = 0.312% HA SER 13 - QD1 LEU 40 9.091% * 0.3119% (0.85 0.02 0.02) = 0.312% HA THR 46 - QD1 LEU 40 9.091% * 0.0890% (0.24 0.02 0.02) = 0.089% HA GLN 17 - QD1 LEU 40 9.091% * 0.0671% (0.18 0.02 0.02) = 0.067% HA SER 37 - QD1 LEU 40 9.091% * 0.0671% (0.18 0.02 0.12) = 0.067% Peak 2545 (2.77, 0.91, 26.66 ppm): 3 chemical-shift based assignments, quality = 0.448, support = 0.103, residual support = 0.104: QE LYS+ 121 - QD1 LEU 40 33.333% * 55.6732% (0.21 0.17 0.02) = 55.673% kept HB3 ASP- 78 - QD1 LEU 40 33.333% * 26.3673% (0.85 0.02 0.02) = 26.367% kept HB3 HIS 122 - QD1 LEU 40 33.333% * 17.9596% (0.58 0.02 0.49) = 17.960% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2546 (7.18, 0.91, 26.66 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 0.466, residual support = 0.236: QD PHE 59 - QD1 LEU 40 25.000% * 31.7693% (0.77 0.63 0.45) = 31.769% kept HE21 GLN 30 - QD1 LEU 40 25.000% * 27.2411% (1.00 0.42 0.23) = 27.241% kept HH2 TRP 49 - QD1 LEU 40 25.000% * 23.6823% (0.92 0.39 0.10) = 23.682% kept HD1 TRP 27 - QD1 LEU 40 25.000% * 17.3073% (0.77 0.34 0.02) = 17.307% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2547 (7.18, 0.98, 24.07 ppm): 4 chemical-shift based assignments, quality = 0.863, support = 0.497, residual support = 0.25: QD PHE 59 - QD2 LEU 40 25.000% * 36.2953% (0.77 0.73 0.45) = 36.295% kept HE21 GLN 30 - QD2 LEU 40 25.000% * 25.4341% (1.00 0.39 0.23) = 25.434% kept HH2 TRP 49 - QD2 LEU 40 25.000% * 22.1114% (0.92 0.37 0.10) = 22.111% kept HD1 TRP 27 - QD2 LEU 40 25.000% * 16.1592% (0.77 0.32 0.02) = 16.159% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2548 (9.01, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 2.71, residual support = 9.26: HN VAL 41 - QD2 LEU 40 100.000% *100.0000% (0.63 2.71 9.26) = 100.000% kept Peak 2549 (9.69, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.88, residual support = 6.55: HN LEU 98 - QD2 LEU 40 100.000% *100.0000% (0.95 3.88 6.55) = 100.000% kept Peak 2550 (8.88, 1.48, 42.31 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 4.45, residual support = 80.9: O HN LEU 40 - HB3 LEU 40 50.000% * 99.9924% (0.97 10.0 4.45 80.87) = 99.992% kept HN LEU 40 - HB3 LEU 115 50.000% * 0.0076% (0.07 1.0 0.02 0.02) = 0.008% Peak 2551 (8.89, 1.94, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 4.57, residual support = 80.9: O HN LEU 40 - HB2 LEU 40 100.000% *100.0000% (0.68 10.0 4.57 80.87) = 100.000% kept Peak 2552 (0.17, 1.94, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.75, residual support = 27.0: QG2 VAL 70 - HB2 LEU 40 100.000% *100.0000% (0.73 3.75 27.04) = 100.000% kept Peak 2553 (0.18, 1.48, 42.31 ppm): 2 chemical-shift based assignments, quality = 0.962, support = 3.71, residual support = 26.7: T QG2 VAL 70 - HB3 LEU 40 50.000% * 98.8914% (0.97 10.00 3.75 27.04) = 98.891% kept T QG2 VAL 70 - HB3 LEU 115 50.000% * 1.1086% (0.07 10.00 0.29 0.02) = 1.109% kept Peak 2554 (4.37, 1.46, 26.98 ppm): 18 chemical-shift based assignments, quality = 0.582, support = 0.357, residual support = 0.818: T HA ASN 35 - HG LEU 115 5.556% * 35.1304% (0.40 10.00 0.25 0.02) = 35.130% kept HA LEU 123 - HG LEU 40 5.556% * 14.3427% (0.68 1.00 0.61 0.52) = 14.343% kept HA LYS+ 99 - HG LEU 40 5.556% * 13.5488% (0.97 1.00 0.40 4.82) = 13.549% kept HA ILE 56 - HG LEU 40 5.556% * 11.2277% (0.81 1.00 0.40 0.63) = 11.228% kept HA ASP- 113 - HG LEU 115 5.556% * 8.5120% (0.41 1.00 0.59 0.02) = 8.512% kept T HA ASN 35 - HG LEU 40 5.556% * 5.9438% (0.85 10.00 0.02 0.02) = 5.944% kept HA LYS+ 99 - HG LEU 115 5.556% * 4.6849% (0.45 1.00 0.30 0.02) = 4.685% kept HA ILE 56 - HG LEU 115 5.556% * 3.2626% (0.38 1.00 0.25 0.02) = 3.263% kept HA ILE 56 - HG LEU 73 5.556% * 1.8951% (0.13 1.00 0.42 0.45) = 1.895% kept HA ASP- 113 - HG LEU 40 5.556% * 0.6196% (0.89 1.00 0.02 0.02) = 0.620% HA LEU 123 - HG LEU 115 5.556% * 0.2193% (0.32 1.00 0.02 0.02) = 0.219% HA PHE 59 - HG LEU 40 5.556% * 0.1477% (0.21 1.00 0.02 0.45) = 0.148% HA LYS+ 99 - HG LEU 73 5.556% * 0.1068% (0.15 1.00 0.02 0.02) = 0.107% HA ASP- 113 - HG LEU 73 5.556% * 0.0979% (0.14 1.00 0.02 0.02) = 0.098% HA ASN 35 - HG LEU 73 5.556% * 0.0939% (0.14 1.00 0.02 0.02) = 0.094% HA LEU 123 - HG LEU 73 5.556% * 0.0746% (0.11 1.00 0.02 0.02) = 0.075% HA PHE 59 - HG LEU 115 5.556% * 0.0686% (0.10 1.00 0.02 14.99) = 0.069% HA PHE 59 - HG LEU 73 5.556% * 0.0234% (0.03 1.00 0.02 0.18) = 0.023% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2556 (0.18, 1.46, 26.98 ppm): 3 chemical-shift based assignments, quality = 0.837, support = 3.87, residual support = 22.4: T QG2 VAL 70 - HG LEU 40 33.333% * 81.5678% (0.97 10.00 4.20 27.04) = 81.568% kept T QG2 VAL 70 - HG LEU 73 33.333% * 12.8909% (0.15 10.00 3.27 2.48) = 12.891% kept T QG2 VAL 70 - HG LEU 115 33.333% * 5.5412% (0.45 10.00 0.29 0.02) = 5.541% kept Peak 2557 (0.17, 0.91, 26.66 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.81, residual support = 27.0: QG2 VAL 70 - QD1 LEU 40 100.000% *100.0000% (0.73 3.81 27.04) = 100.000% kept Peak 2558 (0.20, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 3.47, residual support = 27.0: QG2 VAL 70 - QD2 LEU 40 100.000% *100.0000% (0.40 3.47 27.04) = 100.000% kept Peak 2559 (0.66, 0.98, 24.07 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2560 (1.47, 0.98, 24.07 ppm): 8 chemical-shift based assignments, quality = 0.719, support = 4.74, residual support = 79.5: O HB3 LEU 40 - QD2 LEU 40 12.500% * 60.5036% (0.85 10.0 1.00 5.20 80.87) = 60.504% kept O T HG LEU 40 - QD2 LEU 40 12.500% * 37.7997% (0.53 10.0 10.00 4.21 80.87) = 37.800% kept QB ALA 120 - QD2 LEU 40 12.500% * 0.7821% (1.00 1.0 1.00 0.22 0.02) = 0.782% T HG LEU 115 - QD2 LEU 40 12.500% * 0.7055% (1.00 1.0 10.00 0.02 0.02) = 0.705% T HB2 LYS+ 74 - QD2 LEU 40 12.500% * 0.1120% (0.16 1.0 10.00 0.02 0.02) = 0.112% HG LEU 67 - QD2 LEU 40 12.500% * 0.0481% (0.68 1.0 1.00 0.02 0.02) = 0.048% HB3 LEU 115 - QD2 LEU 40 12.500% * 0.0378% (0.53 1.0 1.00 0.02 0.02) = 0.038% HG2 LYS+ 102 - QD2 LEU 40 12.500% * 0.0112% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 2561 (1.75, 0.98, 24.07 ppm): 4 chemical-shift based assignments, quality = 0.156, support = 1.82, residual support = 4.76: T HB2 LYS+ 99 - QD2 LEU 40 25.000% * 98.7279% (0.16 10.00 1.84 4.82) = 98.728% kept HB VAL 43 - QD2 LEU 40 25.000% * 0.8179% (0.24 1.00 0.10 0.02) = 0.818% HB ILE 89 - QD2 LEU 40 25.000% * 0.3296% (0.49 1.00 0.02 0.02) = 0.330% QD LYS+ 81 - QD2 LEU 40 25.000% * 0.1246% (0.18 1.00 0.02 0.02) = 0.125% Peak 2562 (3.47, 0.98, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.216, support = 0.495, residual support = 0.425: HB2 HIS 122 - QD2 LEU 40 33.333% * 86.2550% (0.18 0.57 0.49) = 86.255% kept HA LYS+ 112 - QD2 LEU 40 33.333% * 7.2351% (0.44 0.02 0.02) = 7.235% kept HB2 HIS 22 - QD2 LEU 40 33.333% * 6.5100% (0.40 0.02 0.02) = 6.510% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2563 (3.02, 0.98, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.667, support = 1.37, residual support = 3.9: QE LYS+ 99 - QD2 LEU 40 33.333% * 73.2371% (0.58 1.74 4.82) = 73.237% kept QE LYS+ 38 - QD2 LEU 40 33.333% * 25.3174% (0.89 0.39 1.47) = 25.317% kept QE LYS+ 102 - QD2 LEU 40 33.333% * 1.4456% (1.00 0.02 0.02) = 1.446% kept Peak 2564 (2.37, 0.98, 24.07 ppm): 6 chemical-shift based assignments, quality = 0.78, support = 1.43, residual support = 2.0: T HB3 PHE 97 - QD2 LEU 40 16.667% * 94.7707% (0.77 10.00 1.48 2.11) = 94.771% kept HB2 GLU- 100 - QD2 LEU 40 16.667% * 4.9111% (0.99 1.00 0.60 0.02) = 4.911% kept HB2 GLN 116 - QD2 LEU 40 16.667% * 0.1535% (0.92 1.00 0.02 0.02) = 0.153% QG GLU- 79 - QD2 LEU 40 16.667% * 0.0888% (0.53 1.00 0.02 0.02) = 0.089% HB2 PRO 58 - QD2 LEU 40 16.667% * 0.0405% (0.24 1.00 0.02 0.02) = 0.041% QG GLN 32 - QD2 LEU 40 16.667% * 0.0353% (0.21 1.00 0.02 0.02) = 0.035% Peak 2565 (1.95, 0.91, 26.66 ppm): 5 chemical-shift based assignments, quality = 0.77, support = 3.43, residual support = 80.7: O T HB2 LEU 40 - QD1 LEU 40 20.000% * 99.7329% (0.77 10.0 10.00 3.44 80.87) = 99.733% kept HB3 ARG+ 54 - QD1 LEU 40 20.000% * 0.1152% (0.89 1.0 1.00 0.02 0.02) = 0.115% HB VAL 18 - QD1 LEU 40 20.000% * 0.0753% (0.58 1.0 1.00 0.02 0.02) = 0.075% HB3 MET 96 - QD1 LEU 40 20.000% * 0.0407% (0.31 1.0 1.00 0.02 0.53) = 0.041% HB2 LEU 67 - QD1 LEU 40 20.000% * 0.0359% (0.28 1.0 1.00 0.02 0.02) = 0.036% Peak 2566 (1.96, 0.98, 24.07 ppm): 6 chemical-shift based assignments, quality = 0.235, support = 4.83, residual support = 76.8: O HB2 LEU 40 - QD2 LEU 40 16.667% * 95.0125% (0.21 10.0 1.00 5.08 80.87) = 95.013% kept T HB2 LEU 67 - QD2 LEU 40 16.667% * 3.8222% (0.85 1.0 10.00 0.02 0.02) = 3.822% kept HB VAL 18 - QD2 LEU 40 16.667% * 0.4471% (1.00 1.0 1.00 0.02 0.02) = 0.447% HB3 ARG+ 54 - QD2 LEU 40 16.667% * 0.3822% (0.85 1.0 1.00 0.02 0.02) = 0.382% HB2 LEU 115 - QD2 LEU 40 16.667% * 0.1773% (0.40 1.0 1.00 0.02 0.02) = 0.177% HG3 PRO 58 - QD2 LEU 40 16.667% * 0.1585% (0.35 1.0 1.00 0.02 0.02) = 0.159% Peak 2567 (1.47, 0.91, 26.66 ppm): 8 chemical-shift based assignments, quality = 0.724, support = 3.62, residual support = 80.0: O T HB3 LEU 40 - QD1 LEU 40 12.500% * 60.9145% (0.85 10.0 10.00 3.54 80.87) = 60.915% kept O HG LEU 40 - QD1 LEU 40 12.500% * 38.0565% (0.53 10.0 1.00 3.85 80.87) = 38.056% kept T HG LEU 67 - QD1 LEU 40 12.500% * 0.4838% (0.68 1.0 10.00 0.02 0.02) = 0.484% T HB3 LEU 115 - QD1 LEU 40 12.500% * 0.3806% (0.53 1.0 10.00 0.02 0.02) = 0.381% HG LEU 115 - QD1 LEU 40 12.500% * 0.0710% (1.00 1.0 1.00 0.02 0.02) = 0.071% QB ALA 120 - QD1 LEU 40 12.500% * 0.0710% (1.00 1.0 1.00 0.02 0.02) = 0.071% HB2 LYS+ 74 - QD1 LEU 40 12.500% * 0.0113% (0.16 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 102 - QD1 LEU 40 12.500% * 0.0113% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 2568 (0.91, 1.94, 42.31 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 80.8: O T QD1 LEU 40 - HB2 LEU 40 33.333% * 99.8902% (1.00 10.0 10.00 3.44 80.87) = 99.890% kept QD2 LEU 67 - HB2 LEU 40 33.333% * 0.0854% (0.85 1.0 1.00 0.02 0.02) = 0.085% QG1 VAL 108 - HB2 LEU 40 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 2569 (0.91, 1.48, 42.31 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.53, residual support = 80.7: O T QD1 LEU 40 - HB3 LEU 40 16.667% * 99.8059% (1.00 10.0 10.00 3.54 80.87) = 99.806% kept QD2 LEU 67 - HB3 LEU 40 16.667% * 0.0853% (0.85 1.0 1.00 0.02 0.02) = 0.085% T QD1 LEU 40 - HB3 LEU 115 16.667% * 0.0761% (0.08 1.0 10.00 0.02 0.02) = 0.076% QG1 VAL 108 - HB3 LEU 40 16.667% * 0.0243% (0.24 1.0 1.00 0.02 0.02) = 0.024% QD2 LEU 67 - HB3 LEU 115 16.667% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG1 VAL 108 - HB3 LEU 115 16.667% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 2570 (0.99, 1.46, 26.98 ppm): 15 chemical-shift based assignments, quality = 0.794, support = 3.9, residual support = 74.7: O T QD2 LEU 40 - HG LEU 40 6.667% * 92.4086% (0.81 10.0 10.00 4.21 80.87) = 92.409% kept T QD1 LEU 67 - HG LEU 40 6.667% * 4.1592% (0.77 1.0 10.00 0.10 0.02) = 4.159% kept T QD1 LEU 67 - HG LEU 115 6.667% * 2.3880% (0.36 1.0 10.00 0.12 0.02) = 2.388% kept T QD2 LEU 40 - HG LEU 115 6.667% * 0.4294% (0.38 1.0 10.00 0.02 0.02) = 0.429% T HG3 LYS+ 74 - HG LEU 115 6.667% * 0.2565% (0.23 1.0 10.00 0.02 0.02) = 0.256% HB VAL 75 - HG LEU 40 6.667% * 0.0924% (0.81 1.0 1.00 0.02 0.02) = 0.092% QG2 ILE 103 - HG LEU 40 6.667% * 0.0715% (0.63 1.0 1.00 0.02 0.02) = 0.072% HG3 LYS+ 74 - HG LEU 40 6.667% * 0.0552% (0.49 1.0 1.00 0.02 0.02) = 0.055% HB VAL 75 - HG LEU 115 6.667% * 0.0429% (0.38 1.0 1.00 0.02 0.02) = 0.043% QG2 ILE 103 - HG LEU 115 6.667% * 0.0332% (0.29 1.0 1.00 0.02 0.02) = 0.033% HB VAL 75 - HG LEU 73 6.667% * 0.0146% (0.13 1.0 1.00 0.02 0.79) = 0.015% QD2 LEU 40 - HG LEU 73 6.667% * 0.0146% (0.13 1.0 1.00 0.02 0.02) = 0.015% QD1 LEU 67 - HG LEU 73 6.667% * 0.0138% (0.12 1.0 1.00 0.02 0.02) = 0.014% QG2 ILE 103 - HG LEU 73 6.667% * 0.0113% (0.10 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 74 - HG LEU 73 6.667% * 0.0087% (0.08 1.0 1.00 0.02 18.59) = 0.009% Peak 2571 (0.56, 0.76, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.796, support = 3.29, residual support = 52.5: O T QG2 VAL 41 - QG1 VAL 41 8.333% * 96.0382% (0.81 10.0 10.00 3.41 54.33) = 96.038% kept QD2 LEU 98 - QG1 VAL 41 8.333% * 2.2505% (0.58 1.0 1.00 0.66 14.79) = 2.251% kept T QG2 VAL 41 - QG2 VAL 18 8.333% * 0.6521% (0.55 1.0 10.00 0.02 0.02) = 0.652% T QD1 LEU 73 - QG1 VAL 41 8.333% * 0.2169% (0.18 1.0 10.00 0.02 0.02) = 0.217% T QD1 LEU 63 - QG1 VAL 41 8.333% * 0.2169% (0.18 1.0 10.00 0.02 0.02) = 0.217% T QD1 LEU 73 - QG2 VAL 18 8.333% * 0.1472% (0.12 1.0 10.00 0.02 0.10) = 0.147% T QD1 LEU 63 - QG2 VAL 18 8.333% * 0.1472% (0.12 1.0 10.00 0.02 0.02) = 0.147% QD2 LEU 63 - QG1 VAL 41 8.333% * 0.1008% (0.85 1.0 1.00 0.02 0.02) = 0.101% QD1 LEU 80 - QG1 VAL 41 8.333% * 0.0686% (0.58 1.0 1.00 0.02 0.58) = 0.069% QD2 LEU 63 - QG2 VAL 18 8.333% * 0.0684% (0.58 1.0 1.00 0.02 0.02) = 0.068% QD2 LEU 98 - QG2 VAL 18 8.333% * 0.0466% (0.40 1.0 1.00 0.02 0.02) = 0.047% QD1 LEU 80 - QG2 VAL 18 8.333% * 0.0466% (0.40 1.0 1.00 0.02 0.02) = 0.047% Peak 2572 (1.30, 0.55, 21.65 ppm): 4 chemical-shift based assignments, quality = 0.408, support = 0.608, residual support = 0.522: QG2 THR 23 - QG2 VAL 41 25.000% * 53.5407% (0.31 0.81 0.83) = 53.541% kept QB ALA 88 - QG2 VAL 41 25.000% * 41.9315% (0.49 0.41 0.18) = 41.931% kept QG2 THR 77 - QG2 VAL 41 25.000% * 3.8650% (0.92 0.02 0.02) = 3.865% kept HG2 LYS+ 38 - QG2 VAL 41 25.000% * 0.6628% (0.16 0.02 0.02) = 0.663% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2573 (1.42, 0.55, 21.65 ppm): 11 chemical-shift based assignments, quality = 0.559, support = 1.14, residual support = 5.25: T HB2 LEU 80 - QG2 VAL 41 9.091% * 60.2883% (0.73 10.00 0.92 0.58) = 60.288% kept T QB LEU 98 - QG2 VAL 41 9.091% * 33.0138% (0.21 10.00 1.72 14.79) = 33.014% kept HG LEU 80 - QG2 VAL 41 9.091% * 2.6909% (0.95 1.00 0.31 0.58) = 2.691% kept HG12 ILE 19 - QG2 VAL 41 9.091% * 1.8207% (1.00 1.00 0.20 0.02) = 1.821% kept HB3 LEU 67 - QG2 VAL 41 9.091% * 1.2610% (0.58 1.00 0.24 0.02) = 1.261% kept HG LEU 73 - QG2 VAL 41 9.091% * 0.3615% (0.18 1.00 0.22 0.02) = 0.361% QB ALA 110 - QG2 VAL 41 9.091% * 0.1756% (0.97 1.00 0.02 0.02) = 0.176% QB ALA 61 - QG2 VAL 41 9.091% * 0.1395% (0.77 1.00 0.02 0.76) = 0.139% HD3 LYS+ 121 - QG2 VAL 41 9.091% * 0.0965% (0.53 1.00 0.02 0.02) = 0.097% HB3 LYS+ 74 - QG2 VAL 41 9.091% * 0.0880% (0.49 1.00 0.02 0.02) = 0.088% QG LYS+ 66 - QG2 VAL 41 9.091% * 0.0641% (0.35 1.00 0.02 0.54) = 0.064% Peak 2574 (8.98, 0.55, 21.65 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 0.329, residual support = 0.329: HN LYS+ 106 - QG2 VAL 41 100.000% *100.0000% (0.40 0.33 0.33) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2575 (9.01, 1.84, 34.57 ppm): 1 chemical-shift based assignment, quality = 0.339, support = 4.24, residual support = 54.3: O HN VAL 41 - HB VAL 41 100.000% *100.0000% (0.34 10.0 4.24 54.33) = 100.000% kept Peak 2577 (9.70, 0.76, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.955, support = 2.06, residual support = 14.0: HN LEU 98 - QG1 VAL 41 50.000% * 94.6119% (0.97 2.17 14.79) = 94.612% kept HN LEU 98 - QG2 VAL 18 50.000% * 5.3881% (0.66 0.18 0.02) = 5.388% kept Peak 2578 (7.28, 1.84, 34.57 ppm): 4 chemical-shift based assignments, quality = 0.489, support = 0.795, residual support = 0.588: QD PHE 60 - HB VAL 41 25.000% * 59.9069% (0.55 1.03 0.77) = 59.907% kept HN LYS+ 66 - HB VAL 41 25.000% * 23.2919% (0.45 0.49 0.54) = 23.292% kept HN LYS+ 81 - HB VAL 41 25.000% * 15.0113% (0.34 0.42 0.02) = 15.011% kept QE PHE 59 - HB VAL 41 25.000% * 1.7899% (0.12 0.14 0.02) = 1.790% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2579 (8.94, 4.88, 60.22 ppm): 4 chemical-shift based assignments, quality = 0.961, support = 4.33, residual support = 16.9: O HN VAL 42 - HA VAL 41 25.000% * 97.6665% (0.97 10.0 4.43 17.35) = 97.667% kept HN LEU 73 - HA VAL 41 25.000% * 1.2865% (0.97 1.0 0.26 0.02) = 1.287% kept HN LYS+ 106 - HA VAL 41 25.000% * 0.9980% (0.18 1.0 1.08 0.33) = 0.998% HN ILE 19 - HA VAL 41 25.000% * 0.0489% (0.49 1.0 0.02 0.02) = 0.049% Peak 2580 (9.17, 4.44, 60.39 ppm): 2 chemical-shift based assignments, quality = 0.855, support = 4.67, residual support = 30.0: O HN VAL 43 - HA VAL 42 50.000% * 99.9817% (0.85 10.0 4.68 30.05) = 99.982% kept HN VAL 43 - HA PHE 55 50.000% * 0.0183% (0.16 1.0 0.02 0.02) = 0.018% Peak 2581 (0.28, 0.55, 21.65 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2582 (0.09, 0.55, 21.65 ppm): 3 chemical-shift based assignments, quality = 0.932, support = 0.141, residual support = 0.132: QD1 ILE 89 - QG2 VAL 41 33.333% * 88.9953% (0.97 0.16 0.15) = 88.995% kept QG2 VAL 83 - QG2 VAL 41 33.333% * 8.5133% (0.73 0.02 0.02) = 8.513% kept QD2 LEU 31 - QG2 VAL 41 33.333% * 2.4914% (0.21 0.02 0.02) = 2.491% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2583 (1.82, 1.39, 32.90 ppm): 18 chemical-shift based assignments, quality = 0.75, support = 3.7, residual support = 16.4: T HB VAL 41 - HB VAL 42 5.556% * 94.7041% (0.77 10.00 3.89 17.35) = 94.704% kept QB LYS+ 66 - HB VAL 42 5.556% * 1.5264% (0.81 1.00 0.31 0.02) = 1.526% kept HB2 LEU 71 - HB VAL 42 5.556% * 1.4486% (0.29 1.00 0.82 0.10) = 1.449% kept T HB VAL 41 - HB2 LYS+ 112 5.556% * 0.6031% (0.49 10.00 0.02 0.02) = 0.603% T QB LYS+ 102 - HB VAL 42 5.556% * 0.5324% (0.44 10.00 0.02 0.02) = 0.532% T QB LYS+ 102 - HB2 LYS+ 112 5.556% * 0.3390% (0.28 10.00 0.02 0.02) = 0.339% HB2 LEU 71 - HB2 LYS+ 112 5.556% * 0.2936% (0.18 1.00 0.26 0.02) = 0.294% HG12 ILE 103 - HB VAL 42 5.556% * 0.0812% (0.66 1.00 0.02 0.02) = 0.081% HG2 PRO 93 - HB VAL 42 5.556% * 0.0812% (0.66 1.00 0.02 0.02) = 0.081% QB LYS+ 66 - HB2 LYS+ 112 5.556% * 0.0633% (0.52 1.00 0.02 0.02) = 0.063% HG12 ILE 103 - HB2 LYS+ 112 5.556% * 0.0517% (0.42 1.00 0.02 0.02) = 0.052% HG2 PRO 93 - HB2 LYS+ 112 5.556% * 0.0517% (0.42 1.00 0.02 0.02) = 0.052% HB3 PRO 52 - HB VAL 42 5.556% * 0.0485% (0.40 1.00 0.02 0.02) = 0.049% HG LEU 123 - HB VAL 42 5.556% * 0.0485% (0.40 1.00 0.02 0.02) = 0.049% QB LYS+ 65 - HB VAL 42 5.556% * 0.0395% (0.32 1.00 0.02 0.02) = 0.040% HG LEU 123 - HB2 LYS+ 112 5.556% * 0.0309% (0.25 1.00 0.02 0.02) = 0.031% HB3 PRO 52 - HB2 LYS+ 112 5.556% * 0.0309% (0.25 1.00 0.02 0.02) = 0.031% QB LYS+ 65 - HB2 LYS+ 112 5.556% * 0.0252% (0.21 1.00 0.02 0.02) = 0.025% Peak 2584 (8.96, 0.15, 20.83 ppm): 3 chemical-shift based assignments, quality = 0.527, support = 3.48, residual support = 42.2: HN VAL 42 - QG2 VAL 42 33.333% * 60.2608% (0.53 4.74 69.25) = 60.261% kept HN LYS+ 106 - QG2 VAL 42 33.333% * 21.7044% (0.53 1.71 1.06) = 21.704% kept HN LEU 73 - QG2 VAL 42 33.333% * 18.0348% (0.53 1.42 1.44) = 18.035% kept Peak 2585 (9.17, 0.15, 20.83 ppm): 1 chemical-shift based assignment, quality = 0.621, support = 4.79, residual support = 30.1: HN VAL 43 - QG2 VAL 42 100.000% *100.0000% (0.62 4.79 30.05) = 100.000% kept Peak 2586 (4.44, 0.37, 21.48 ppm): 14 chemical-shift based assignments, quality = 0.89, support = 3.15, residual support = 50.7: O T HA VAL 42 - QG1 VAL 42 7.143% * 72.6822% (0.95 10.0 10.00 4.00 69.25) = 72.682% kept T HA VAL 42 - QB ALA 47 7.143% * 22.6566% (0.83 1.0 10.00 0.71 0.44) = 22.657% kept HA THR 46 - QB ALA 47 7.143% * 3.2462% (0.33 1.0 1.00 2.57 7.16) = 3.246% kept T HA GLN 17 - QG1 VAL 42 7.143% * 0.3538% (0.46 1.0 10.00 0.02 0.02) = 0.354% T HA PHE 55 - QG1 VAL 42 7.143% * 0.3204% (0.42 1.0 10.00 0.02 0.02) = 0.320% T HA GLN 17 - QB ALA 47 7.143% * 0.3100% (0.41 1.0 10.00 0.02 0.02) = 0.310% T HA PHE 55 - QB ALA 47 7.143% * 0.2808% (0.37 1.0 10.00 0.02 0.02) = 0.281% HA SER 37 - QG1 VAL 42 7.143% * 0.0354% (0.46 1.0 1.00 0.02 0.02) = 0.035% HA SER 37 - QB ALA 47 7.143% * 0.0310% (0.41 1.0 1.00 0.02 0.02) = 0.031% HA THR 46 - QG1 VAL 42 7.143% * 0.0288% (0.38 1.0 1.00 0.02 0.26) = 0.029% HA GLN 90 - QG1 VAL 42 7.143% * 0.0177% (0.23 1.0 1.00 0.02 0.02) = 0.018% HA GLN 90 - QB ALA 47 7.143% * 0.0155% (0.20 1.0 1.00 0.02 0.02) = 0.016% HA ALA 110 - QG1 VAL 42 7.143% * 0.0115% (0.15 1.0 1.00 0.02 0.02) = 0.012% HA ALA 110 - QB ALA 47 7.143% * 0.0101% (0.13 1.0 1.00 0.02 0.02) = 0.010% Peak 2587 (7.28, 0.37, 21.48 ppm): 8 chemical-shift based assignments, quality = 0.797, support = 1.19, residual support = 1.91: QD PHE 60 - QG1 VAL 42 12.500% * 71.3116% (0.90 1.53 2.67) = 71.312% kept HN LYS+ 81 - QG1 VAL 42 12.500% * 12.7528% (0.55 0.45 0.02) = 12.753% kept HN LYS+ 66 - QG1 VAL 42 12.500% * 10.2655% (0.73 0.27 0.02) = 10.265% kept QE PHE 59 - QG1 VAL 42 12.500% * 2.6428% (0.20 0.25 0.02) = 2.643% kept QE PHE 59 - QB ALA 47 12.500% * 1.0511% (0.18 0.12 0.02) = 1.051% kept QD PHE 60 - QB ALA 47 12.500% * 0.8149% (0.79 0.02 0.02) = 0.815% HN LYS+ 66 - QB ALA 47 12.500% * 0.6619% (0.64 0.02 0.02) = 0.662% HN LYS+ 81 - QB ALA 47 12.500% * 0.4994% (0.48 0.02 0.02) = 0.499% Peak 2588 (8.96, 0.37, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.682, support = 3.5, residual support = 42.2: HN VAL 42 - QG1 VAL 42 16.667% * 60.2812% (0.69 4.91 69.25) = 60.281% kept HN LYS+ 106 - QG1 VAL 42 16.667% * 22.4129% (0.69 1.82 1.06) = 22.413% kept HN LEU 73 - QG1 VAL 42 16.667% * 11.6685% (0.69 0.95 1.44) = 11.669% kept HN VAL 42 - QB ALA 47 16.667% * 5.2067% (0.60 0.48 0.44) = 5.207% kept HN LYS+ 106 - QB ALA 47 16.667% * 0.2153% (0.60 0.02 0.02) = 0.215% HN LEU 73 - QB ALA 47 16.667% * 0.2153% (0.60 0.02 0.02) = 0.215% Peak 2589 (9.19, 0.37, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.262, support = 4.38, residual support = 28.5: HN VAL 43 - QG1 VAL 42 50.000% * 94.7274% (0.26 4.61 30.05) = 94.727% kept HN VAL 43 - QB ALA 47 50.000% * 5.2726% (0.23 0.29 0.02) = 5.273% kept Peak 2590 (9.40, 0.37, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.282, support = 0.02, residual support = 0.02: HN LEU 104 - QG1 VAL 42 50.000% * 53.2952% (0.30 0.02 0.02) = 53.295% kept HN LEU 104 - QB ALA 47 50.000% * 46.7048% (0.26 0.02 0.02) = 46.705% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2591 (6.65, 0.37, 21.60 ppm): 6 chemical-shift based assignments, quality = 0.184, support = 2.57, residual support = 5.92: HN TRP 49 - QB ALA 47 16.667% * 71.4809% (0.17 3.17 7.56) = 71.481% kept HN TRP 49 - QG1 VAL 42 16.667% * 22.5424% (0.13 1.35 2.26) = 22.542% kept HD22 ASN 69 - QB ALA 47 16.667% * 1.8930% (0.71 0.02 0.26) = 1.893% kept HE22 GLN 30 - QB ALA 47 16.667% * 1.5474% (0.58 0.02 0.02) = 1.547% kept HD22 ASN 69 - QG1 VAL 42 16.667% * 1.3956% (0.53 0.02 0.02) = 1.396% kept HE22 GLN 30 - QG1 VAL 42 16.667% * 1.1408% (0.43 0.02 0.02) = 1.141% kept Peak 2592 (7.03, 0.37, 21.60 ppm): 4 chemical-shift based assignments, quality = 0.388, support = 1.88, residual support = 7.0: O HN ALA 47 - QB ALA 47 25.000% * 76.8550% (0.26 10.0 2.09 8.82) = 76.855% kept QD PHE 95 - QB ALA 47 25.000% * 17.8979% (0.88 1.0 1.36 1.20) = 17.898% kept QD PHE 95 - QG1 VAL 42 25.000% * 5.1904% (0.65 1.0 0.54 0.11) = 5.190% kept HN ALA 47 - QG1 VAL 42 25.000% * 0.0567% (0.19 1.0 0.02 0.44) = 0.057% Peak 2593 (1.37, 0.76, 21.16 ppm): 14 chemical-shift based assignments, quality = 0.471, support = 3.16, residual support = 20.3: HB VAL 42 - QG1 VAL 43 7.143% * 57.9648% (0.50 1.00 4.11 30.05) = 57.965% kept HB3 ASP- 44 - QG1 VAL 43 7.143% * 20.5360% (0.21 1.00 3.48 13.01) = 20.536% kept HG3 LYS+ 106 - QG1 VAL 43 7.143% * 9.1896% (0.79 1.00 0.41 1.87) = 9.190% kept HB2 LYS+ 112 - QG1 VAL 43 7.143% * 6.8833% (0.70 1.00 0.35 0.02) = 6.883% kept T HB3 LEU 73 - QG1 VAL 43 7.143% * 3.2852% (0.58 10.00 0.02 2.21) = 3.285% kept HG3 LYS+ 102 - QG1 VAL 43 7.143% * 0.3514% (0.62 1.00 0.02 0.02) = 0.351% HB3 PRO 93 - QG1 VAL 43 7.143% * 0.3514% (0.62 1.00 0.02 0.02) = 0.351% QB ALA 84 - QG1 VAL 43 7.143% * 0.3285% (0.58 1.00 0.02 0.02) = 0.329% HG3 LYS+ 65 - QG1 VAL 43 7.143% * 0.2817% (0.50 1.00 0.02 0.02) = 0.282% HG LEU 98 - QG1 VAL 43 7.143% * 0.2584% (0.46 1.00 0.02 0.02) = 0.258% HG3 LYS+ 33 - QG1 VAL 43 7.143% * 0.2355% (0.42 1.00 0.02 0.02) = 0.236% QB ALA 124 - QG1 VAL 43 7.143% * 0.1919% (0.34 1.00 0.02 0.02) = 0.192% HB2 LEU 63 - QG1 VAL 43 7.143% * 0.0766% (0.14 1.00 0.02 0.02) = 0.077% QB ALA 12 - QG1 VAL 43 7.143% * 0.0655% (0.12 1.00 0.02 0.02) = 0.065% Peak 2594 (6.33, 0.76, 21.16 ppm): 1 chemical-shift based assignment, quality = 0.182, support = 0.77, residual support = 3.01: T HH2 TRP 27 - QG1 VAL 43 100.000% *100.0000% (0.18 10.00 0.77 3.01) = 100.000% kept Not enough quality. Peak unassigned. Peak 2595 (9.17, 0.76, 21.16 ppm): 1 chemical-shift based assignment, quality = 0.731, support = 4.78, residual support = 52.1: HN VAL 43 - QG1 VAL 43 100.000% *100.0000% (0.73 4.78 52.10) = 100.000% kept Peak 2596 (8.80, 0.06, 21.48 ppm): 8 chemical-shift based assignments, quality = 0.263, support = 2.87, residual support = 9.82: HN ASP- 44 - QG2 VAL 43 12.500% * 66.4666% (0.26 3.84 13.01) = 66.467% kept HN ASN 28 - QD2 LEU 31 12.500% * 15.1089% (0.15 1.47 7.63) = 15.109% kept HN ASN 28 - QG2 VAL 43 12.500% * 12.6494% (0.52 0.36 0.02) = 12.649% kept HN ASP- 44 - QD2 LEU 31 12.500% * 5.1566% (0.08 1.01 0.25) = 5.157% kept HN GLU- 25 - QG2 VAL 43 12.500% * 0.3112% (0.23 0.02 0.02) = 0.311% HN ASN 69 - QG2 VAL 43 12.500% * 0.1668% (0.12 0.02 0.02) = 0.167% HN GLU- 25 - QD2 LEU 31 12.500% * 0.0915% (0.07 0.02 0.10) = 0.092% HN ASN 69 - QD2 LEU 31 12.500% * 0.0490% (0.04 0.02 0.02) = 0.049% Peak 2597 (9.17, 1.77, 34.62 ppm): 1 chemical-shift based assignment, quality = 0.812, support = 3.99, residual support = 52.1: O HN VAL 43 - HB VAL 43 100.000% *100.0000% (0.81 10.0 3.99 52.10) = 100.000% kept Peak 2598 (9.31, 1.77, 34.62 ppm): 1 chemical-shift based assignment, quality = 0.377, support = 1.4, residual support = 10.3: HN MET 96 - HB VAL 43 100.000% *100.0000% (0.38 1.40 10.33) = 100.000% kept Peak 2599 (6.87, 1.34, 38.87 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.23, residual support = 12.8: QD PHE 45 - HB3 ASP- 44 100.000% *100.0000% (0.73 4.23 12.77) = 100.000% kept Peak 2600 (8.78, 1.34, 38.87 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 3.83, residual support = 36.5: O HN ASP- 44 - HB3 ASP- 44 33.333% * 99.8700% (0.97 10.0 3.83 36.51) = 99.870% kept HN GLU- 25 - HB3 ASP- 44 33.333% * 0.0977% (0.95 1.0 0.02 0.02) = 0.098% HN ASN 28 - HB3 ASP- 44 33.333% * 0.0324% (0.31 1.0 0.02 0.02) = 0.032% Peak 2601 (4.92, 2.27, 38.87 ppm): 2 chemical-shift based assignments, quality = 0.813, support = 1.63, residual support = 1.98: HA LYS+ 74 - HB2 ASP- 44 50.000% * 52.7838% (0.89 1.56 1.21) = 52.784% kept HA MET 92 - HB2 ASP- 44 50.000% * 47.2162% (0.73 1.71 2.85) = 47.216% kept Peak 2602 (8.78, 2.27, 38.87 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 3.1, residual support = 36.5: O HN ASP- 44 - HB2 ASP- 44 33.333% * 99.8700% (0.97 10.0 3.10 36.51) = 99.870% kept HN GLU- 25 - HB2 ASP- 44 33.333% * 0.0977% (0.95 1.0 0.02 0.02) = 0.098% HN ASN 28 - HB2 ASP- 44 33.333% * 0.0324% (0.31 1.0 0.02 0.02) = 0.032% Peak 2603 (8.77, 4.29, 51.33 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 3.7, residual support = 36.5: O HN ASP- 44 - HA ASP- 44 33.333% * 99.8647% (0.73 10.0 3.70 36.51) = 99.865% kept HN GLU- 25 - HA ASP- 44 33.333% * 0.1061% (0.77 1.0 0.02 0.02) = 0.106% HN ALA 110 - HA ASP- 44 33.333% * 0.0292% (0.21 1.0 0.02 0.02) = 0.029% Peak 2604 (5.97, 4.29, 51.33 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 1.87, residual support = 2.49: HA PHE 95 - HA ASP- 44 100.000% *100.0000% (0.81 1.87 2.49) = 100.000% kept Peak 2605 (3.96, 3.05, 39.30 ppm): 10 chemical-shift based assignments, quality = 0.546, support = 2.84, residual support = 18.0: T HB THR 94 - HB2 PHE 45 10.000% * 95.2815% (0.53 10.00 2.96 18.92) = 95.281% kept QB SER 85 - HB2 PHE 45 10.000% * 3.9003% (0.95 1.00 0.46 0.02) = 3.900% kept HA2 GLY 16 - HB2 PHE 45 10.000% * 0.1695% (0.95 1.00 0.02 0.02) = 0.169% HA ALA 120 - HB2 PHE 45 10.000% * 0.1647% (0.92 1.00 0.02 0.02) = 0.165% HA LYS+ 65 - HB2 PHE 45 10.000% * 0.1590% (0.89 1.00 0.02 0.02) = 0.159% QB SER 48 - HB2 PHE 45 10.000% * 0.1211% (0.68 1.00 0.02 0.02) = 0.121% HA LYS+ 121 - HB2 PHE 45 10.000% * 0.0786% (0.44 1.00 0.02 0.02) = 0.079% HA2 GLY 51 - HB2 PHE 45 10.000% * 0.0633% (0.35 1.00 0.02 0.02) = 0.063% HD2 PRO 52 - HB2 PHE 45 10.000% * 0.0379% (0.21 1.00 0.02 0.02) = 0.038% QB SER 117 - HB2 PHE 45 10.000% * 0.0241% (0.14 1.00 0.02 0.02) = 0.024% Peak 2606 (1.28, 3.05, 39.30 ppm): 5 chemical-shift based assignments, quality = 0.338, support = 1.5, residual support = 4.37: QG2 THR 77 - HB2 PHE 45 20.000% * 92.9169% (0.31 1.61 4.71) = 92.917% kept QG2 THR 23 - HB2 PHE 45 20.000% * 3.3869% (0.92 0.02 0.02) = 3.387% kept QB ALA 34 - HB2 PHE 45 20.000% * 1.9596% (0.53 0.02 0.02) = 1.960% kept QG2 ILE 56 - HB2 PHE 45 20.000% * 1.1557% (0.31 0.02 0.02) = 1.156% kept HG3 LYS+ 38 - HB2 PHE 45 20.000% * 0.5808% (0.16 0.02 0.47) = 0.581% Peak 2607 (0.63, 3.05, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 0.891, residual support = 7.41: T QG2 ILE 89 - HB2 PHE 45 50.000% * 99.9009% (1.00 10.00 0.89 7.42) = 99.901% kept QG1 VAL 83 - HB2 PHE 45 50.000% * 0.0991% (0.44 1.00 0.02 2.97) = 0.099% Peak 2608 (1.31, 2.42, 39.30 ppm): 6 chemical-shift based assignments, quality = 0.8, support = 1.78, residual support = 2.29: QB ALA 88 - HB3 PHE 45 16.667% * 35.5101% (0.99 1.90 1.13) = 35.510% kept QG2 THR 77 - HB3 PHE 45 16.667% * 34.7214% (0.81 2.25 4.71) = 34.721% kept HG2 LYS+ 38 - HB3 PHE 45 16.667% * 14.0605% (0.68 1.09 0.47) = 14.061% kept HG2 LYS+ 99 - HB3 PHE 45 16.667% * 11.1662% (0.53 1.10 0.53) = 11.166% kept HG2 LYS+ 111 - HB3 PHE 45 16.667% * 4.4721% (0.24 0.97 2.94) = 4.472% kept HB2 LEU 31 - HB3 PHE 45 16.667% * 0.0697% (0.18 0.02 0.99) = 0.070% Peak 2609 (0.64, 2.42, 39.30 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 1.29, residual support = 7.42: T QG2 ILE 89 - HB3 PHE 45 100.000% *100.0000% (0.58 10.00 1.29 7.42) = 100.000% kept Peak 2610 (6.84, 3.05, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.534, support = 3.93, residual support = 65.0: O QD PHE 45 - HB2 PHE 45 33.333% * 97.5927% (0.53 10.0 4.02 66.57) = 97.593% kept HD2 HIS 122 - HB2 PHE 45 33.333% * 1.4451% (0.85 1.0 0.19 0.02) = 1.445% kept HE22 GLN 116 - HB2 PHE 45 33.333% * 0.9623% (0.81 1.0 0.13 0.02) = 0.962% Peak 2611 (8.75, 3.05, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 3.38, residual support = 64.6: O HN PHE 45 - HB2 PHE 45 50.000% * 97.0570% (0.63 10.0 3.47 66.57) = 97.057% kept HN ALA 110 - HB2 PHE 45 50.000% * 2.9430% (0.89 1.0 0.43 0.16) = 2.943% kept Peak 2612 (6.84, 2.42, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.555, support = 4.07, residual support = 62.1: O QD PHE 45 - HB3 PHE 45 33.333% * 93.2580% (0.53 10.0 4.33 66.57) = 93.258% kept HD2 HIS 122 - HB3 PHE 45 33.333% * 4.0470% (0.85 1.0 0.54 0.02) = 4.047% kept HE22 GLN 116 - HB3 PHE 45 33.333% * 2.6949% (0.81 1.0 0.38 0.02) = 2.695% kept Peak 2613 (8.75, 2.42, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.638, support = 3.68, residual support = 64.6: O HN PHE 45 - HB3 PHE 45 50.000% * 97.0948% (0.63 10.0 3.77 66.57) = 97.095% kept HN ALA 110 - HB3 PHE 45 50.000% * 2.9052% (0.89 1.0 0.42 0.16) = 2.905% kept Peak 2614 (5.04, 0.75, 18.88 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 1.06, residual support = 3.6: HA ASP- 76 - QG2 THR 46 100.000% *100.0000% (0.28 1.06 3.60) = 100.000% kept Peak 2615 (8.48, 0.75, 18.88 ppm): 5 chemical-shift based assignments, quality = 0.701, support = 2.6, residual support = 22.3: HN THR 46 - QG2 THR 46 20.000% * 88.2183% (0.68 2.93 25.27) = 88.218% kept HN LYS+ 74 - QG2 THR 46 20.000% * 10.2303% (1.00 0.23 0.02) = 10.230% kept HN MET 11 - QG2 THR 46 20.000% * 0.6855% (0.77 0.02 0.02) = 0.685% HN LYS+ 112 - QG2 THR 46 20.000% * 0.4744% (0.53 0.02 0.64) = 0.474% HN MET 92 - QG2 THR 46 20.000% * 0.3915% (0.44 0.02 0.02) = 0.392% Peak 2616 (7.03, 0.75, 18.88 ppm): 2 chemical-shift based assignments, quality = 0.61, support = 1.92, residual support = 3.15: QD PHE 95 - QG2 THR 46 50.000% * 74.5944% (0.77 1.55 1.78) = 74.594% kept HN ALA 47 - QG2 THR 46 50.000% * 25.4056% (0.14 3.01 7.16) = 25.406% kept Peak 2617 (2.82, 0.75, 18.88 ppm): 5 chemical-shift based assignments, quality = 0.432, support = 0.495, residual support = 0.123: HB3 ASN 69 - QG2 THR 46 20.000% * 51.0086% (0.58 0.48 0.13) = 51.009% kept QB CYS 50 - QG2 THR 46 20.000% * 25.2566% (0.18 0.75 0.13) = 25.257% kept HA ALA 64 - QG2 THR 46 20.000% * 16.8162% (0.28 0.33 0.13) = 16.816% kept HB2 PHE 72 - QG2 THR 46 20.000% * 3.6395% (1.00 0.02 0.02) = 3.640% kept QE LYS+ 74 - QG2 THR 46 20.000% * 3.2790% (0.16 0.11 0.02) = 3.279% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2619 (9.46, 3.99, 61.71 ppm): 2 chemical-shift based assignments, quality = 0.354, support = 2.57, residual support = 10.4: O HN SER 48 - HA SER 48 50.000% * 99.9601% (0.35 10.0 2.57 10.44) = 99.960% kept HN SER 48 - HB2 SER 82 50.000% * 0.0399% (0.14 1.0 0.02 0.02) = 0.040% Peak 2620 (9.45, 3.94, 63.31 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 2.57, residual support = 10.4: O HN SER 48 - QB SER 48 33.333% * 99.9590% (0.92 10.0 2.57 10.44) = 99.959% kept HN SER 48 - QB SER 117 33.333% * 0.0215% (0.20 1.0 0.02 0.02) = 0.021% HN SER 48 - QB SER 85 33.333% * 0.0196% (0.18 1.0 0.02 0.02) = 0.020% Peak 2621 (6.63, 3.69, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 4.01, residual support = 72.1: O HN TRP 49 - HB2 TRP 49 50.000% * 99.9036% (0.92 10.0 4.01 72.15) = 99.904% kept HE22 GLN 30 - HB2 TRP 49 50.000% * 0.0964% (0.89 1.0 0.02 0.02) = 0.096% Peak 2622 (7.36, 3.69, 29.61 ppm): 4 chemical-shift based assignments, quality = 0.733, support = 4.22, residual support = 65.6: O HD1 TRP 49 - HB2 TRP 49 25.000% * 90.8462% (0.73 10.0 4.51 72.15) = 90.846% kept HD2 HIS 22 - HB2 TRP 49 25.000% * 8.2813% (0.89 1.0 1.49 0.86) = 8.281% kept HD21 ASN 35 - HB2 TRP 49 25.000% * 0.6792% (0.92 1.0 0.12 0.02) = 0.679% HN LEU 67 - HB2 TRP 49 25.000% * 0.1933% (0.31 1.0 0.10 0.02) = 0.193% Peak 2623 (6.63, 3.15, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 4.01, residual support = 72.1: O HN TRP 49 - HB3 TRP 49 50.000% * 99.9036% (0.71 10.0 4.01 72.15) = 99.904% kept HE22 GLN 30 - HB3 TRP 49 50.000% * 0.0964% (0.69 1.0 0.02 0.02) = 0.096% Peak 2624 (7.36, 3.15, 29.61 ppm): 4 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 65.5: O HD1 TRP 49 - HB3 TRP 49 25.000% * 90.6796% (0.56 10.0 4.56 72.15) = 90.680% kept HD2 HIS 22 - HB3 TRP 49 25.000% * 8.4495% (0.69 1.0 1.52 0.86) = 8.449% kept HD21 ASN 35 - HB3 TRP 49 25.000% * 0.6780% (0.71 1.0 0.12 0.02) = 0.678% HN LEU 67 - HB3 TRP 49 25.000% * 0.1929% (0.24 1.0 0.10 0.02) = 0.193% Peak 2625 (2.64, 3.15, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.629, support = 0.02, residual support = 0.167: HB2 ASP- 62 - HB3 TRP 49 50.000% * 50.0000% (0.63 0.02 0.02) = 50.000% kept HB2 PRO 52 - HB3 TRP 49 50.000% * 50.0000% (0.63 0.02 0.31) = 50.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2626 (2.40, 3.15, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.388, support = 0.263, residual support = 0.379: QE LYS+ 112 - HB3 TRP 49 20.000% * 75.5204% (0.34 0.34 0.50) = 75.520% kept HB VAL 107 - HB3 TRP 49 20.000% * 9.2437% (0.71 0.02 0.02) = 9.244% kept QG GLN 32 - HB3 TRP 49 20.000% * 7.2713% (0.56 0.02 0.02) = 7.271% kept HB3 PHE 45 - HB3 TRP 49 20.000% * 4.4138% (0.34 0.02 0.02) = 4.414% kept QG GLU- 79 - HB3 TRP 49 20.000% * 3.5507% (0.27 0.02 0.02) = 3.551% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2627 (0.38, 2.80, 44.93 ppm): 3 chemical-shift based assignments, quality = 0.509, support = 2.18, residual support = 2.05: QB ALA 47 - QB CYS 50 33.333% * 65.2902% (0.53 2.86 2.90) = 65.290% kept QG1 VAL 42 - QB CYS 50 33.333% * 17.9824% (0.40 1.06 0.51) = 17.982% kept QB ALA 64 - QB CYS 50 33.333% * 16.7274% (0.53 0.73 0.39) = 16.727% kept Peak 2628 (3.83, 2.80, 44.93 ppm): 6 chemical-shift based assignments, quality = 0.966, support = 1.38, residual support = 3.79: T HB2 CYS 53 - QB CYS 50 16.667% * 91.9407% (1.00 10.00 1.35 4.11) = 91.941% kept HD3 PRO 52 - QB CYS 50 16.667% * 7.8397% (0.63 1.00 1.81 0.14) = 7.840% kept HA GLN 30 - QB CYS 50 16.667% * 0.0995% (0.73 1.00 0.02 0.02) = 0.100% HD2 PRO 58 - QB CYS 50 16.667% * 0.0486% (0.35 1.00 0.02 0.02) = 0.049% HA VAL 83 - QB CYS 50 16.667% * 0.0381% (0.28 1.00 0.02 0.02) = 0.038% HA GLU- 100 - QB CYS 50 16.667% * 0.0334% (0.24 1.00 0.02 0.02) = 0.033% Peak 2629 (6.61, 2.80, 44.93 ppm): 4 chemical-shift based assignments, quality = 0.707, support = 1.63, residual support = 6.63: O HN CYS 50 - QB CYS 50 25.000% * 90.1811% (0.73 10.0 1.56 6.13) = 90.181% kept HN TRP 49 - QB CYS 50 25.000% * 9.7634% (0.53 1.0 2.29 11.23) = 9.763% kept HN VAL 83 - QB CYS 50 25.000% * 0.0339% (0.21 1.0 0.02 0.02) = 0.034% HE22 GLN 30 - QB CYS 50 25.000% * 0.0216% (0.14 1.0 0.02 0.02) = 0.022% Peak 2630 (3.94, 4.27, 48.66 ppm): 9 chemical-shift based assignments, quality = 0.808, support = 2.74, residual support = 9.82: O T HA2 GLY 51 - HA1 GLY 51 11.111% * 97.6587% (0.81 10.0 10.00 2.81 10.06) = 97.659% kept T QB SER 48 - HA1 GLY 51 11.111% * 1.1947% (1.00 1.0 10.00 0.02 0.02) = 1.195% kept T QB SER 85 - HA1 GLY 51 11.111% * 0.6401% (0.53 1.0 10.00 0.02 0.02) = 0.640% HB THR 94 - HA1 GLY 51 11.111% * 0.1139% (0.95 1.0 1.00 0.02 0.02) = 0.114% HA ALA 120 - HA1 GLY 51 11.111% * 0.1106% (0.92 1.0 1.00 0.02 0.02) = 0.111% HA LYS+ 121 - HA1 GLY 51 11.111% * 0.1068% (0.89 1.0 1.00 0.02 0.02) = 0.107% HA2 GLY 16 - HA1 GLY 51 11.111% * 0.0640% (0.53 1.0 1.00 0.02 0.02) = 0.064% QB SER 117 - HA1 GLY 51 11.111% * 0.0583% (0.49 1.0 1.00 0.02 0.02) = 0.058% HA LYS+ 65 - HA1 GLY 51 11.111% * 0.0528% (0.44 1.0 1.00 0.02 0.02) = 0.053% Peak 2631 (3.34, 2.63, 32.81 ppm): 12 chemical-shift based assignments, quality = 0.969, support = 3.65, residual support = 35.8: HB3 CYS 53 - HB2 PRO 52 8.333% * 90.3861% (0.99 4.02 39.58) = 90.386% kept HD3 PRO 68 - HB2 PRO 52 8.333% * 4.0371% (0.95 0.19 0.02) = 4.037% kept HD2 ARG+ 54 - HB2 PRO 52 8.333% * 3.9988% (0.95 0.18 0.64) = 3.999% kept HD3 PRO 93 - HB2 PRO 52 8.333% * 0.4428% (0.97 0.02 0.02) = 0.443% QB PHE 55 - HB2 PRO 52 8.333% * 0.4061% (0.89 0.02 0.02) = 0.406% HB2 PHE 59 - HB2 PRO 52 8.333% * 0.2654% (0.58 0.02 0.02) = 0.265% HB3 CYS 53 - HG2 MET 96 8.333% * 0.0859% (0.19 0.02 0.02) = 0.086% HD3 PRO 93 - HG2 MET 96 8.333% * 0.0845% (0.19 0.02 0.02) = 0.085% HD3 PRO 68 - HG2 MET 96 8.333% * 0.0826% (0.18 0.02 0.02) = 0.083% HD2 ARG+ 54 - HG2 MET 96 8.333% * 0.0826% (0.18 0.02 0.02) = 0.083% QB PHE 55 - HG2 MET 96 8.333% * 0.0775% (0.17 0.02 0.02) = 0.078% HB2 PHE 59 - HG2 MET 96 8.333% * 0.0506% (0.11 0.02 0.02) = 0.051% Peak 2632 (3.31, 1.84, 32.81 ppm): 5 chemical-shift based assignments, quality = 0.31, support = 3.08, residual support = 24.3: HB3 CYS 53 - HB3 PRO 52 20.000% * 61.3942% (0.14 1.00 4.84 39.58) = 61.394% kept HB2 PHE 59 - HB3 PRO 52 20.000% * 26.7383% (0.73 1.00 0.39 0.02) = 26.738% kept T HD3 PRO 68 - HB3 PRO 52 20.000% * 5.9084% (0.31 10.00 0.02 0.02) = 5.908% kept T HD3 PRO 93 - HB3 PRO 52 20.000% * 5.2152% (0.28 10.00 0.02 0.02) = 5.215% kept QB PHE 55 - HB3 PRO 52 20.000% * 0.7439% (0.40 1.00 0.02 0.02) = 0.744% Peak 2633 (1.45, 2.63, 32.81 ppm): 24 chemical-shift based assignments, quality = 0.443, support = 0.263, residual support = 0.26: HB3 LEU 67 - HB2 PRO 52 4.167% * 23.5272% (0.53 0.31 0.02) = 23.527% kept QG LYS+ 66 - HB2 PRO 52 4.167% * 20.6410% (0.77 0.19 0.02) = 20.641% kept HB3 LEU 115 - HG2 MET 96 4.167% * 10.2686% (0.15 0.49 1.25) = 10.269% kept HG LEU 40 - HG2 MET 96 4.167% * 8.4878% (0.15 0.40 0.53) = 8.488% kept HG LEU 67 - HG2 MET 96 4.167% * 6.1713% (0.12 0.36 0.35) = 6.171% kept HB3 LEU 67 - HG2 MET 96 4.167% * 5.2253% (0.10 0.36 0.35) = 5.225% kept HG2 LYS+ 102 - HB2 PRO 52 4.167% * 2.8596% (1.00 0.02 0.02) = 2.860% kept HG2 LYS+ 102 - HG2 MET 96 4.167% * 2.8292% (0.19 0.10 0.02) = 2.829% kept HG LEU 73 - HB2 PRO 52 4.167% * 2.7256% (0.95 0.02 0.02) = 2.726% kept HG LEU 115 - HG2 MET 96 4.167% * 2.6654% (0.03 0.61 1.25) = 2.665% kept HG LEU 73 - HG2 MET 96 4.167% * 2.5987% (0.18 0.10 0.02) = 2.599% kept QG LYS+ 66 - HG2 MET 96 4.167% * 2.3874% (0.15 0.11 0.02) = 2.387% kept HG LEU 40 - HB2 PRO 52 4.167% * 2.2137% (0.77 0.02 0.02) = 2.214% kept HB3 LEU 115 - HB2 PRO 52 4.167% * 2.2137% (0.77 0.02 0.02) = 2.214% kept HG LEU 67 - HB2 PRO 52 4.167% * 1.8096% (0.63 0.02 0.02) = 1.810% kept QB ALA 61 - HB2 PRO 52 4.167% * 1.0172% (0.35 0.02 0.02) = 1.017% kept HG LEU 80 - HB2 PRO 52 4.167% * 0.5279% (0.18 0.02 0.40) = 0.528% QB ALA 120 - HB2 PRO 52 4.167% * 0.4542% (0.16 0.02 0.02) = 0.454% HG LEU 115 - HB2 PRO 52 4.167% * 0.4542% (0.16 0.02 0.02) = 0.454% QB ALA 110 - HB2 PRO 52 4.167% * 0.4542% (0.16 0.02 0.02) = 0.454% QB ALA 61 - HG2 MET 96 4.167% * 0.1942% (0.07 0.02 0.02) = 0.194% HG LEU 80 - HG2 MET 96 4.167% * 0.1007% (0.04 0.02 0.02) = 0.101% QB ALA 120 - HG2 MET 96 4.167% * 0.0867% (0.03 0.02 0.02) = 0.087% QB ALA 110 - HG2 MET 96 4.167% * 0.0867% (0.03 0.02 0.02) = 0.087% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2634 (1.34, 3.98, 51.93 ppm): 11 chemical-shift based assignments, quality = 0.917, support = 0.948, residual support = 0.398: HB2 LEU 63 - HD2 PRO 52 9.091% * 69.5776% (1.00 1.20 0.46) = 69.578% kept HB2 LEU 31 - HD2 PRO 52 9.091% * 23.2957% (0.85 0.47 0.31) = 23.296% kept HB3 ASP- 44 - HD2 PRO 52 9.091% * 1.1226% (0.97 0.02 0.02) = 1.123% kept HB3 LEU 80 - HD2 PRO 52 9.091% * 1.1226% (0.97 0.02 0.40) = 1.123% kept QB ALA 124 - HD2 PRO 52 9.091% * 0.9877% (0.85 0.02 0.02) = 0.988% HG2 LYS+ 111 - HD2 PRO 52 9.091% * 0.8916% (0.77 0.02 0.02) = 0.892% HG LEU 98 - HD2 PRO 52 9.091% * 0.8390% (0.73 0.02 0.02) = 0.839% QB ALA 84 - HD2 PRO 52 9.091% * 0.6728% (0.58 0.02 0.02) = 0.673% HB3 PRO 93 - HD2 PRO 52 9.091% * 0.6171% (0.53 0.02 0.02) = 0.617% HG2 LYS+ 99 - HD2 PRO 52 9.091% * 0.5093% (0.44 0.02 0.02) = 0.509% HG2 LYS+ 38 - HD2 PRO 52 9.091% * 0.3640% (0.31 0.02 0.02) = 0.364% Peak 2635 (3.99, 3.84, 51.93 ppm): 8 chemical-shift based assignments, quality = 0.72, support = 7.08, residual support = 193.5: O T HD2 PRO 52 - HD3 PRO 52 12.500% * 97.3992% (0.73 10.0 10.00 7.27 198.71) = 97.399% kept T HA SER 48 - HD3 PRO 52 12.500% * 1.3243% (0.99 1.0 10.00 0.02 0.02) = 1.324% kept T HB2 SER 82 - HD3 PRO 52 12.500% * 0.8461% (0.63 1.0 10.00 0.02 0.02) = 0.846% HA ALA 88 - HD3 PRO 52 12.500% * 0.1274% (0.95 1.0 1.00 0.02 0.02) = 0.127% HA GLN 32 - HD3 PRO 52 12.500% * 0.1238% (0.92 1.0 1.00 0.02 0.02) = 0.124% HA VAL 18 - HD3 PRO 52 12.500% * 0.0716% (0.53 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 29 - HD3 PRO 52 12.500% * 0.0653% (0.49 1.0 1.00 0.02 0.02) = 0.065% HA LYS+ 33 - HD3 PRO 52 12.500% * 0.0423% (0.31 1.0 1.00 0.02 0.02) = 0.042% Peak 2636 (3.85, 3.98, 51.93 ppm): 8 chemical-shift based assignments, quality = 0.766, support = 6.89, residual support = 181.7: O T HD3 PRO 52 - HD2 PRO 52 12.500% * 90.1335% (0.81 10.0 10.00 7.27 198.71) = 90.133% kept HB2 CYS 53 - HD2 PRO 52 12.500% * 6.6243% (0.24 1.0 1.00 4.91 39.58) = 6.624% kept HA GLN 30 - HD2 PRO 52 12.500% * 2.0738% (0.73 1.0 1.00 0.52 0.02) = 2.074% kept T HB3 SER 82 - HD2 PRO 52 12.500% * 0.9858% (0.89 1.0 10.00 0.02 0.02) = 0.986% QB SER 13 - HD2 PRO 52 12.500% * 0.0591% (0.53 1.0 1.00 0.02 0.02) = 0.059% HB THR 39 - HD2 PRO 52 12.500% * 0.0538% (0.49 1.0 1.00 0.02 0.02) = 0.054% HA ILE 89 - HD2 PRO 52 12.500% * 0.0348% (0.31 1.0 1.00 0.02 0.02) = 0.035% HB3 SER 37 - HD2 PRO 52 12.500% * 0.0348% (0.31 1.0 1.00 0.02 0.02) = 0.035% Peak 2637 (4.28, 3.84, 51.93 ppm): 9 chemical-shift based assignments, quality = 0.691, support = 3.67, residual support = 10.7: O HA1 GLY 51 - HD3 PRO 52 11.111% * 92.4446% (0.68 10.0 1.00 3.95 11.55) = 92.445% kept HA SER 85 - HD3 PRO 52 11.111% * 2.6868% (0.85 1.0 1.00 0.46 0.02) = 2.687% kept HA GLU- 79 - HD3 PRO 52 11.111% * 2.1024% (0.89 1.0 1.00 0.35 0.02) = 2.102% kept T HA ILE 103 - HD3 PRO 52 11.111% * 1.2936% (0.95 1.0 10.00 0.02 0.02) = 1.294% kept T HA THR 39 - HD3 PRO 52 11.111% * 1.1094% (0.81 1.0 10.00 0.02 0.02) = 1.109% kept HB THR 77 - HD3 PRO 52 11.111% * 0.1164% (0.85 1.0 1.00 0.02 0.02) = 0.116% HA ASP- 44 - HD3 PRO 52 11.111% * 0.1051% (0.77 1.0 1.00 0.02 0.02) = 0.105% HA MET 11 - HD3 PRO 52 11.111% * 0.0989% (0.73 1.0 1.00 0.02 0.02) = 0.099% HA ALA 57 - HD3 PRO 52 11.111% * 0.0429% (0.31 1.0 1.00 0.02 0.02) = 0.043% Peak 2638 (4.29, 3.98, 51.93 ppm): 11 chemical-shift based assignments, quality = 0.474, support = 3.08, residual support = 6.91: O HA1 GLY 51 - HD2 PRO 52 9.091% * 59.6914% (0.21 10.0 1.00 5.00 11.55) = 59.691% kept T HA SER 85 - HD2 PRO 52 9.091% * 33.5766% (0.95 1.0 10.00 0.25 0.02) = 33.577% kept T HA ILE 103 - HD2 PRO 52 9.091% * 2.4013% (0.85 1.0 10.00 0.02 0.02) = 2.401% kept HA ASP- 86 - HD2 PRO 52 9.091% * 1.8711% (0.40 1.0 1.00 0.34 0.47) = 1.871% kept T HA THR 39 - HD2 PRO 52 9.091% * 0.8848% (0.31 1.0 10.00 0.02 0.02) = 0.885% HA GLU- 79 - HD2 PRO 52 9.091% * 0.5382% (0.40 1.0 1.00 0.10 0.02) = 0.538% HA MET 11 - HD2 PRO 52 9.091% * 0.2800% (1.00 1.0 1.00 0.02 0.02) = 0.280% HA ASP- 44 - HD2 PRO 52 9.091% * 0.2773% (0.99 1.0 1.00 0.02 0.02) = 0.277% HB THR 77 - HD2 PRO 52 9.091% * 0.2669% (0.95 1.0 1.00 0.02 0.02) = 0.267% HA ALA 12 - HD2 PRO 52 9.091% * 0.1238% (0.44 1.0 1.00 0.02 0.02) = 0.124% HA GLU- 14 - HD2 PRO 52 9.091% * 0.0885% (0.31 1.0 1.00 0.02 0.02) = 0.088% Peak 2639 (2.33, 3.84, 51.93 ppm): 7 chemical-shift based assignments, quality = 0.845, support = 5.78, residual support = 194.7: O HG2 PRO 52 - HD3 PRO 52 14.286% * 98.0055% (0.85 10.0 5.89 198.71) = 98.006% kept HB2 GLU- 79 - HD3 PRO 52 14.286% * 1.7649% (0.40 1.0 0.78 0.02) = 1.765% kept HG3 GLU- 25 - HD3 PRO 52 14.286% * 0.1132% (0.99 1.0 0.02 0.02) = 0.113% QG GLU- 114 - HD3 PRO 52 14.286% * 0.0361% (0.31 1.0 0.02 0.02) = 0.036% HG2 MET 92 - HD3 PRO 52 14.286% * 0.0280% (0.24 1.0 0.02 0.02) = 0.028% HG3 GLU- 36 - HD3 PRO 52 14.286% * 0.0280% (0.24 1.0 0.02 0.02) = 0.028% HB2 PRO 58 - HD3 PRO 52 14.286% * 0.0244% (0.21 1.0 0.02 0.02) = 0.024% Peak 2640 (2.08, 3.84, 51.93 ppm): 7 chemical-shift based assignments, quality = 0.947, support = 6.43, residual support = 198.0: O HG3 PRO 52 - HD3 PRO 52 14.286% * 99.6422% (0.95 10.0 6.45 198.71) = 99.642% kept HG2 PRO 58 - HD3 PRO 52 14.286% * 0.0996% (0.95 1.0 0.02 0.02) = 0.100% HB2 GLU- 14 - HD3 PRO 52 14.286% * 0.0935% (0.89 1.0 0.02 0.02) = 0.093% HG2 MET 11 - HD3 PRO 52 14.286% * 0.0897% (0.85 1.0 0.02 0.02) = 0.090% HB2 PRO 68 - HD3 PRO 52 14.286% * 0.0416% (0.40 1.0 0.02 0.02) = 0.042% QB GLN 32 - HD3 PRO 52 14.286% * 0.0193% (0.18 1.0 0.02 0.02) = 0.019% HB VAL 24 - HD3 PRO 52 14.286% * 0.0142% (0.14 1.0 0.02 0.02) = 0.014% Peak 2641 (1.85, 3.84, 51.93 ppm): 12 chemical-shift based assignments, quality = 0.453, support = 6.13, residual support = 187.7: O HB3 PRO 52 - HD3 PRO 52 8.333% * 94.4347% (0.44 10.0 6.48 198.71) = 94.435% kept QB LYS+ 33 - HD3 PRO 52 8.333% * 2.3304% (0.77 1.0 0.28 0.02) = 2.330% kept HG2 ARG+ 54 - HD3 PRO 52 8.333% * 2.0848% (0.92 1.0 0.21 0.64) = 2.085% kept HG3 PRO 68 - HD3 PRO 52 8.333% * 0.2082% (0.97 1.0 0.02 0.02) = 0.208% HB ILE 103 - HD3 PRO 52 8.333% * 0.2035% (0.95 1.0 0.02 0.02) = 0.204% HB3 ASP- 105 - HD3 PRO 52 8.333% * 0.1909% (0.89 1.0 0.02 0.02) = 0.191% HB3 GLN 90 - HD3 PRO 52 8.333% * 0.1455% (0.68 1.0 0.02 0.02) = 0.145% QB LYS+ 81 - HD3 PRO 52 8.333% * 0.1247% (0.58 1.0 0.02 0.02) = 0.125% QB LYS+ 106 - HD3 PRO 52 8.333% * 0.1144% (0.53 1.0 0.02 0.02) = 0.114% HG LEU 123 - HD3 PRO 52 8.333% * 0.0944% (0.44 1.0 0.02 0.02) = 0.094% HG12 ILE 103 - HD3 PRO 52 8.333% * 0.0394% (0.18 1.0 0.02 0.02) = 0.039% HB ILE 56 - HD3 PRO 52 8.333% * 0.0290% (0.14 1.0 0.02 0.02) = 0.029% Peak 2642 (8.10, 3.84, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.469, support = 5.59, residual support = 37.2: HN CYS 53 - HD3 PRO 52 25.000% * 93.8200% (0.49 5.93 39.58) = 93.820% kept HN LEU 80 - HD3 PRO 52 25.000% * 3.8922% (0.24 0.49 0.40) = 3.892% kept HN ALA 34 - HD3 PRO 52 25.000% * 1.9407% (0.16 0.38 0.02) = 1.941% kept HN THR 26 - HD3 PRO 52 25.000% * 0.3471% (0.53 0.02 0.02) = 0.347% Peak 2643 (9.58, 3.84, 51.93 ppm): 2 chemical-shift based assignments, quality = 0.886, support = 3.36, residual support = 11.5: HN GLY 51 - HD3 PRO 52 50.000% * 99.4619% (0.89 3.38 11.55) = 99.462% kept HN VAL 107 - HD3 PRO 52 50.000% * 0.5381% (0.81 0.02 0.02) = 0.538% Peak 2644 (7.85, 3.98, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.804, support = 1.94, residual support = 1.33: HN ASP- 62 - HD2 PRO 52 25.000% * 60.4257% (0.89 2.44 1.88) = 60.426% kept HN ARG+ 54 - HD2 PRO 52 25.000% * 22.4801% (0.49 1.66 0.64) = 22.480% kept HN LEU 31 - HD2 PRO 52 25.000% * 15.0318% (0.95 0.57 0.31) = 15.032% kept HN PHE 55 - HD2 PRO 52 25.000% * 2.0624% (0.63 0.12 0.02) = 2.062% kept Peak 2645 (8.10, 3.98, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.453, support = 6.17, residual support = 32.6: HN CYS 53 - HD2 PRO 52 25.000% * 82.2362% (0.49 7.22 39.58) = 82.236% kept HN LEU 80 - HD2 PRO 52 25.000% * 10.2238% (0.24 1.79 0.40) = 10.224% kept HN THR 26 - HD2 PRO 52 25.000% * 4.1953% (0.53 0.34 0.02) = 4.195% kept HN ALA 34 - HD2 PRO 52 25.000% * 3.3447% (0.16 0.90 0.02) = 3.345% kept Peak 2647 (2.79, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.841, support = 1.05, residual support = 2.36: QB CYS 50 - HB3 CYS 53 25.000% * 48.3001% (0.89 1.29 4.11) = 48.300% kept QE LYS+ 74 - HB3 CYS 53 25.000% * 37.9710% (0.92 0.98 0.98) = 37.971% kept HB3 ASN 69 - HB3 CYS 53 25.000% * 7.3706% (0.44 0.40 0.02) = 7.371% kept HB3 ASP- 78 - HB3 CYS 53 25.000% * 6.3583% (0.44 0.34 0.02) = 6.358% kept Peak 2648 (2.80, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.89, support = 1.3, residual support = 3.78: T QB CYS 50 - HB2 CYS 53 25.000% * 90.2153% (0.89 10.00 1.35 4.11) = 90.215% kept QE LYS+ 74 - HB2 CYS 53 25.000% * 6.6419% (0.85 1.00 1.03 0.98) = 6.642% kept HB3 ASN 69 - HB2 CYS 53 25.000% * 3.0766% (0.95 1.00 0.43 0.02) = 3.077% kept HB2 PHE 72 - HB2 CYS 53 25.000% * 0.0663% (0.44 1.00 0.02 0.02) = 0.066% Peak 2650 (1.26, 4.17, 63.73 ppm): 10 chemical-shift based assignments, quality = 0.739, support = 0.0547, residual support = 0.0196: T QG2 ILE 56 - HA CYS 53 10.000% * 36.2793% (0.92 10.00 0.02 0.02) = 36.279% kept QG2 THR 39 - HA CYS 53 10.000% * 25.9909% (0.85 1.00 0.15 0.02) = 25.991% kept T HG13 ILE 19 - HA CYS 53 10.000% * 17.3232% (0.44 10.00 0.02 0.02) = 17.323% kept T HG LEU 71 - HA CYS 53 10.000% * 7.2315% (0.18 10.00 0.02 0.02) = 7.232% kept HG3 LYS+ 38 - HA CYS 53 10.000% * 3.9301% (1.00 1.00 0.02 0.02) = 3.930% kept QB ALA 91 - HA CYS 53 10.000% * 3.3597% (0.85 1.00 0.02 0.02) = 3.360% kept QB ALA 34 - HA CYS 53 10.000% * 2.8538% (0.73 1.00 0.02 0.02) = 2.854% kept QG2 THR 23 - HA CYS 53 10.000% * 1.2380% (0.31 1.00 0.02 0.02) = 1.238% kept HG3 LYS+ 99 - HA CYS 53 10.000% * 0.9584% (0.24 1.00 0.02 0.02) = 0.958% HG2 LYS+ 74 - HA CYS 53 10.000% * 0.8352% (0.21 1.00 0.02 0.98) = 0.835% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2651 (8.10, 4.17, 63.73 ppm): 4 chemical-shift based assignments, quality = 0.48, support = 4.33, residual support = 37.4: O HN CYS 53 - HA CYS 53 25.000% * 98.6352% (0.49 10.0 4.39 37.91) = 98.635% kept HN LEU 80 - HA CYS 53 25.000% * 0.6188% (0.24 1.0 0.25 0.02) = 0.619% HN THR 26 - HA CYS 53 25.000% * 0.4161% (0.53 1.0 0.08 0.02) = 0.416% HN ALA 34 - HA CYS 53 25.000% * 0.3299% (0.16 1.0 0.21 0.02) = 0.330% Peak 2652 (8.10, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.482, support = 4.47, residual support = 37.5: O HN CYS 53 - HB2 CYS 53 25.000% * 98.9298% (0.49 10.0 4.52 37.91) = 98.930% kept HN LEU 80 - HB2 CYS 53 25.000% * 0.6207% (0.24 1.0 0.25 0.02) = 0.621% HN THR 26 - HB2 CYS 53 25.000% * 0.4173% (0.53 1.0 0.08 0.02) = 0.417% HN ALA 34 - HB2 CYS 53 25.000% * 0.0322% (0.16 1.0 0.02 0.02) = 0.032% Peak 2653 (7.86, 3.83, 34.62 ppm): 5 chemical-shift based assignments, quality = 0.906, support = 4.07, residual support = 18.9: HN ARG+ 54 - HB2 CYS 53 20.000% * 72.7248% (0.95 5.15 25.63) = 72.725% kept HN ASP- 62 - HB2 CYS 53 20.000% * 19.5341% (0.92 1.42 1.21) = 19.534% kept HN LYS+ 38 - HB2 CYS 53 20.000% * 4.0192% (0.44 0.61 0.02) = 4.019% kept HN PHE 55 - HB2 CYS 53 20.000% * 2.2203% (0.18 0.81 0.02) = 2.220% kept HN LEU 31 - HB2 CYS 53 20.000% * 1.5015% (0.85 0.12 0.02) = 1.502% kept Peak 2654 (7.87, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.771, support = 4.5, residual support = 21.4: HN ARG+ 54 - HB3 CYS 53 25.000% * 83.1416% (0.81 5.21 25.63) = 83.142% kept HN ASP- 62 - HB3 CYS 53 25.000% * 10.7977% (0.40 1.39 1.21) = 10.798% kept HN LYS+ 38 - HB3 CYS 53 25.000% * 5.3316% (0.95 0.29 0.02) = 5.332% kept HN LEU 31 - HB3 CYS 53 25.000% * 0.7291% (0.31 0.12 0.02) = 0.729% Peak 2655 (1.61, 3.34, 43.59 ppm): 3 chemical-shift based assignments, quality = 0.809, support = 4.62, residual support = 131.8: O T HG3 ARG+ 54 - HD2 ARG+ 54 33.333% * 98.9057% (0.81 10.0 10.00 4.66 133.22) = 98.906% kept HB3 LEU 123 - HD2 ARG+ 54 33.333% * 1.0560% (0.31 1.0 1.00 0.55 0.25) = 1.056% kept QD LYS+ 33 - HD2 ARG+ 54 33.333% * 0.0382% (0.31 1.0 1.00 0.02 0.33) = 0.038% Peak 2656 (3.35, 3.25, 43.59 ppm): 5 chemical-shift based assignments, quality = 0.781, support = 3.51, residual support = 114.3: O T HD2 ARG+ 54 - HD3 ARG+ 54 20.000% * 83.4065% (0.81 10.0 10.00 3.61 133.22) = 83.407% kept HB3 CYS 53 - HD3 ARG+ 54 20.000% * 11.5041% (0.73 1.0 1.00 3.10 25.63) = 11.504% kept QB PHE 55 - HD3 ARG+ 54 20.000% * 4.9944% (0.35 1.0 1.00 2.75 5.31) = 4.994% kept HD3 PRO 93 - HD3 ARG+ 54 20.000% * 0.0498% (0.49 1.0 1.00 0.02 0.02) = 0.050% HD3 PRO 68 - HD3 ARG+ 54 20.000% * 0.0451% (0.44 1.0 1.00 0.02 0.02) = 0.045% Peak 2657 (3.24, 3.34, 43.59 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 3.61, residual support = 133.1: O T HD3 ARG+ 54 - HD2 ARG+ 54 50.000% * 99.9183% (1.00 10.0 10.00 3.61 133.22) = 99.918% kept HB3 HIS 22 - HD2 ARG+ 54 50.000% * 0.0817% (0.81 1.0 1.00 0.02 0.02) = 0.082% Peak 2658 (1.61, 3.25, 43.59 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 3.64, residual support = 133.1: O T HG3 ARG+ 54 - HD3 ARG+ 54 33.333% * 99.9227% (0.81 10.0 10.00 3.64 133.22) = 99.923% kept HB3 LEU 123 - HD3 ARG+ 54 33.333% * 0.0386% (0.31 1.0 1.00 0.02 0.25) = 0.039% QD LYS+ 33 - HD3 ARG+ 54 33.333% * 0.0386% (0.31 1.0 1.00 0.02 0.33) = 0.039% Peak 2659 (1.88, 3.25, 43.59 ppm): 13 chemical-shift based assignments, quality = 0.345, support = 3.66, residual support = 129.8: O T HG2 ARG+ 54 - HD3 ARG+ 54 7.692% * 97.3969% (0.35 10.0 10.00 3.76 133.22) = 97.397% kept T HG3 PRO 68 - HD3 ARG+ 54 7.692% * 0.7637% (0.28 1.0 10.00 0.02 0.02) = 0.764% HB ILE 56 - HD3 ARG+ 54 7.692% * 0.2712% (0.99 1.0 1.00 0.02 0.02) = 0.271% HB3 LYS+ 38 - HD3 ARG+ 54 7.692% * 0.2448% (0.89 1.0 1.00 0.02 0.39) = 0.245% QB LYS+ 106 - HD3 ARG+ 54 7.692% * 0.2120% (0.77 1.0 1.00 0.02 0.02) = 0.212% QB LYS+ 81 - HD3 ARG+ 54 7.692% * 0.1995% (0.73 1.0 1.00 0.02 0.02) = 0.199% HB3 GLN 30 - HD3 ARG+ 54 7.692% * 0.1865% (0.68 1.0 1.00 0.02 0.02) = 0.186% HB3 GLN 90 - HD3 ARG+ 54 7.692% * 0.1733% (0.63 1.0 1.00 0.02 0.02) = 0.173% QB LYS+ 33 - HD3 ARG+ 54 7.692% * 0.1467% (0.53 1.0 1.00 0.02 0.33) = 0.147% HB2 MET 92 - HD3 ARG+ 54 7.692% * 0.1337% (0.49 1.0 1.00 0.02 0.02) = 0.134% HB3 ASP- 105 - HD3 ARG+ 54 7.692% * 0.1089% (0.40 1.0 1.00 0.02 0.02) = 0.109% HB ILE 103 - HD3 ARG+ 54 7.692% * 0.0865% (0.31 1.0 1.00 0.02 0.02) = 0.087% HB3 PRO 58 - HD3 ARG+ 54 7.692% * 0.0764% (0.28 1.0 1.00 0.02 0.02) = 0.076% Peak 2660 (2.04, 3.25, 43.59 ppm): 11 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 132.0: O HB2 ARG+ 54 - HD3 ARG+ 54 9.091% * 99.0725% (0.63 10.0 3.91 133.22) = 99.073% kept HB3 GLU- 100 - HD3 ARG+ 54 9.091% * 0.1551% (0.99 1.0 0.02 0.02) = 0.155% HG3 GLN 30 - HD3 ARG+ 54 9.091% * 0.1492% (0.95 1.0 0.02 0.02) = 0.149% HB ILE 119 - HD3 ARG+ 54 9.091% * 0.1492% (0.95 1.0 0.02 0.02) = 0.149% HB2 GLN 30 - HD3 ARG+ 54 9.091% * 0.1492% (0.95 1.0 0.02 0.02) = 0.149% HB VAL 108 - HD3 ARG+ 54 9.091% * 0.1141% (0.73 1.0 0.02 0.02) = 0.114% HB3 PRO 68 - HD3 ARG+ 54 9.091% * 0.0839% (0.53 1.0 0.02 0.02) = 0.084% HB2 PRO 93 - HD3 ARG+ 54 9.091% * 0.0437% (0.28 1.0 0.02 0.02) = 0.044% HB2 LYS+ 111 - HD3 ARG+ 54 9.091% * 0.0334% (0.21 1.0 0.02 0.02) = 0.033% QB GLU- 15 - HD3 ARG+ 54 9.091% * 0.0249% (0.16 1.0 0.02 0.02) = 0.025% HB2 GLN 17 - HD3 ARG+ 54 9.091% * 0.0249% (0.16 1.0 0.02 0.02) = 0.025% Peak 2661 (1.86, 1.60, 27.63 ppm): 11 chemical-shift based assignments, quality = 0.876, support = 3.93, residual support = 131.0: O T HG2 ARG+ 54 - HG3 ARG+ 54 9.091% * 98.3507% (0.89 10.0 10.00 4.00 133.22) = 98.351% kept T HG3 PRO 68 - HG3 ARG+ 54 9.091% * 0.8992% (0.81 1.0 10.00 0.02 0.02) = 0.899% HB3 GLN 90 - HG3 ARG+ 54 9.091% * 0.1104% (1.00 1.0 1.00 0.02 0.02) = 0.110% QB LYS+ 81 - HG3 ARG+ 54 9.091% * 0.1090% (0.99 1.0 1.00 0.02 0.02) = 0.109% QB LYS+ 33 - HG3 ARG+ 54 9.091% * 0.1090% (0.99 1.0 1.00 0.02 0.33) = 0.109% QB LYS+ 106 - HG3 ARG+ 54 9.091% * 0.1072% (0.97 1.0 1.00 0.02 0.02) = 0.107% HB3 ASP- 105 - HG3 ARG+ 54 9.091% * 0.1019% (0.92 1.0 1.00 0.02 0.02) = 0.102% HB ILE 103 - HG3 ARG+ 54 9.091% * 0.0943% (0.85 1.0 1.00 0.02 0.02) = 0.094% HB ILE 56 - HG3 ARG+ 54 9.091% * 0.0589% (0.53 1.0 1.00 0.02 0.02) = 0.059% HB3 LYS+ 38 - HG3 ARG+ 54 9.091% * 0.0391% (0.35 1.0 1.00 0.02 0.39) = 0.039% HB3 GLN 30 - HG3 ARG+ 54 9.091% * 0.0203% (0.18 1.0 1.00 0.02 0.02) = 0.020% Peak 2662 (2.03, 1.60, 27.63 ppm): 11 chemical-shift based assignments, quality = 0.182, support = 4.91, residual support = 128.2: O HB2 ARG+ 54 - HG3 ARG+ 54 9.091% * 96.1976% (0.18 10.0 5.10 133.22) = 96.198% kept HB2 GLN 30 - HG3 ARG+ 54 9.091% * 1.0119% (0.49 1.0 0.08 0.02) = 1.012% kept HB3 PRO 68 - HG3 ARG+ 54 9.091% * 0.5080% (0.97 1.0 0.02 0.02) = 0.508% HG3 GLN 30 - HG3 ARG+ 54 9.091% * 0.4469% (0.85 1.0 0.02 0.02) = 0.447% HB2 LYS+ 111 - HG3 ARG+ 54 9.091% * 0.3550% (0.68 1.0 0.02 0.02) = 0.355% HB3 GLU- 100 - HG3 ARG+ 54 9.091% * 0.3044% (0.58 1.0 0.02 0.02) = 0.304% HB2 GLN 17 - HG3 ARG+ 54 9.091% * 0.3044% (0.58 1.0 0.02 0.02) = 0.304% QB GLU- 15 - HG3 ARG+ 54 9.091% * 0.3044% (0.58 1.0 0.02 0.02) = 0.304% HB ILE 119 - HG3 ARG+ 54 9.091% * 0.2545% (0.49 1.0 0.02 0.02) = 0.254% HB3 GLU- 25 - HG3 ARG+ 54 9.091% * 0.1854% (0.35 1.0 0.02 0.02) = 0.185% HB VAL 108 - HG3 ARG+ 54 9.091% * 0.1275% (0.24 1.0 0.02 0.02) = 0.127% Peak 2663 (4.11, 1.60, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 4.78, residual support = 131.2: O HA ARG+ 54 - HG3 ARG+ 54 12.500% * 98.5116% (1.00 10.0 4.85 133.22) = 98.512% kept HA ASN 28 - HG3 ARG+ 54 12.500% * 1.2064% (0.53 1.0 0.46 0.02) = 1.206% kept HA ALA 124 - HG3 ARG+ 54 12.500% * 0.0957% (0.97 1.0 0.02 0.02) = 0.096% HA LYS+ 81 - HG3 ARG+ 54 12.500% * 0.0526% (0.53 1.0 0.02 0.02) = 0.053% HA LEU 115 - HG3 ARG+ 54 12.500% * 0.0480% (0.49 1.0 0.02 0.95) = 0.048% HA GLU- 36 - HG3 ARG+ 54 12.500% * 0.0391% (0.40 1.0 0.02 0.02) = 0.039% HA ALA 34 - HG3 ARG+ 54 12.500% * 0.0310% (0.31 1.0 0.02 0.02) = 0.031% HA1 GLY 101 - HG3 ARG+ 54 12.500% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% Peak 2665 (3.26, 1.60, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.679, support = 3.64, residual support = 133.2: O T HD3 ARG+ 54 - HG3 ARG+ 54 50.000% * 99.9591% (0.68 10.0 10.00 3.64 133.22) = 99.959% kept HB3 HIS 22 - HG3 ARG+ 54 50.000% * 0.0409% (0.28 1.0 1.00 0.02 0.02) = 0.041% Peak 2666 (3.35, 1.60, 27.63 ppm): 5 chemical-shift based assignments, quality = 0.777, support = 4.46, residual support = 111.4: O T HD2 ARG+ 54 - HG3 ARG+ 54 20.000% * 80.7681% (0.81 10.0 10.00 4.66 133.22) = 80.768% kept HB3 CYS 53 - HG3 ARG+ 54 20.000% * 13.6695% (0.73 1.0 1.00 3.80 25.63) = 13.669% kept QB PHE 55 - HG3 ARG+ 54 20.000% * 5.4704% (0.35 1.0 1.00 3.11 5.31) = 5.470% kept HD3 PRO 93 - HG3 ARG+ 54 20.000% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HD3 PRO 68 - HG3 ARG+ 54 20.000% * 0.0437% (0.44 1.0 1.00 0.02 0.02) = 0.044% Peak 2667 (7.87, 1.60, 27.63 ppm): 4 chemical-shift based assignments, quality = 0.808, support = 5.42, residual support = 110.2: HN ARG+ 54 - HG3 ARG+ 54 25.000% * 82.6957% (0.81 6.39 133.22) = 82.696% kept HN LYS+ 38 - HG3 ARG+ 54 25.000% * 11.9574% (0.95 0.79 0.39) = 11.957% kept HN ASP- 62 - HG3 ARG+ 54 25.000% * 5.2468% (0.40 0.83 0.02) = 5.247% kept HN LEU 31 - HG3 ARG+ 54 25.000% * 0.1001% (0.31 0.02 0.02) = 0.100% Peak 2668 (1.61, 1.86, 27.63 ppm): 6 chemical-shift based assignments, quality = 0.703, support = 3.27, residual support = 103.8: O T HG3 ARG+ 54 - HG2 ARG+ 54 16.667% * 77.8942% (0.81 10.0 10.00 4.00 133.22) = 77.894% kept T QD LYS+ 33 - HG2 ARG+ 54 16.667% * 11.4993% (0.31 1.0 10.00 0.76 0.33) = 11.499% kept T HB3 LEU 123 - HG2 ARG+ 54 16.667% * 10.2393% (0.31 1.0 10.00 0.68 0.25) = 10.239% kept T HG3 ARG+ 54 - HG3 PRO 68 16.667% * 0.2070% (0.22 1.0 10.00 0.02 0.02) = 0.207% T HB3 LEU 123 - HG3 PRO 68 16.667% * 0.0800% (0.08 1.0 10.00 0.02 0.02) = 0.080% T QD LYS+ 33 - HG3 PRO 68 16.667% * 0.0800% (0.08 1.0 10.00 0.02 0.02) = 0.080% Peak 2669 (2.02, 1.86, 27.63 ppm): 20 chemical-shift based assignments, quality = 0.166, support = 2.29, residual support = 24.8: O HB3 PRO 68 - HG3 PRO 68 5.000% * 69.1715% (0.21 10.0 2.42 25.44) = 69.171% kept O HG2 PRO 68 - HG3 PRO 68 5.000% * 28.2357% (0.08 10.0 2.20 25.44) = 28.236% kept HB2 LYS+ 111 - HG2 ARG+ 54 5.000% * 0.3362% (1.00 1.0 0.02 0.02) = 0.336% QB GLU- 15 - HG2 ARG+ 54 5.000% * 0.3362% (1.00 1.0 0.02 0.02) = 0.336% HB2 GLN 17 - HG2 ARG+ 54 5.000% * 0.3362% (1.00 1.0 0.02 0.02) = 0.336% HB3 GLU- 25 - HG2 ARG+ 54 5.000% * 0.3005% (0.89 1.0 0.02 0.02) = 0.301% HB3 PRO 68 - HG2 ARG+ 54 5.000% * 0.2602% (0.77 1.0 0.02 0.02) = 0.260% QB GLU- 114 - HG2 ARG+ 54 5.000% * 0.1642% (0.49 1.0 0.02 0.02) = 0.164% HB ILE 19 - HG2 ARG+ 54 5.000% * 0.1338% (0.40 1.0 0.02 0.02) = 0.134% HG3 GLN 30 - HG2 ARG+ 54 5.000% * 0.1062% (0.31 1.0 0.02 0.02) = 0.106% HG2 PRO 68 - HG2 ARG+ 54 5.000% * 0.1062% (0.31 1.0 0.02 0.02) = 0.106% HB2 LYS+ 111 - HG3 PRO 68 5.000% * 0.0894% (0.26 1.0 0.02 0.02) = 0.089% HB2 GLN 17 - HG3 PRO 68 5.000% * 0.0894% (0.26 1.0 0.02 0.02) = 0.089% QB GLU- 15 - HG3 PRO 68 5.000% * 0.0894% (0.26 1.0 0.02 0.02) = 0.089% HB3 GLU- 25 - HG3 PRO 68 5.000% * 0.0799% (0.24 1.0 0.02 0.02) = 0.080% HB3 GLU- 100 - HG2 ARG+ 54 5.000% * 0.0456% (0.14 1.0 0.02 0.02) = 0.046% QB GLU- 114 - HG3 PRO 68 5.000% * 0.0436% (0.13 1.0 0.02 0.02) = 0.044% HB ILE 19 - HG3 PRO 68 5.000% * 0.0356% (0.11 1.0 0.02 0.02) = 0.036% HG3 GLN 30 - HG3 PRO 68 5.000% * 0.0282% (0.08 1.0 0.02 0.02) = 0.028% HB3 GLU- 100 - HG3 PRO 68 5.000% * 0.0121% (0.04 1.0 0.02 0.02) = 0.012% Peak 2670 (3.35, 1.86, 27.63 ppm): 10 chemical-shift based assignments, quality = 0.706, support = 4.36, residual support = 102.3: O T HD2 ARG+ 54 - HG2 ARG+ 54 10.000% * 72.2740% (0.81 10.0 10.00 4.76 133.22) = 72.274% kept HB3 CYS 53 - HG2 ARG+ 54 10.000% * 12.0673% (0.73 1.0 1.00 3.75 25.63) = 12.067% kept O HD3 PRO 68 - HG3 PRO 68 10.000% * 10.3923% (0.12 10.0 1.00 3.08 25.44) = 10.392% kept QB PHE 55 - HG2 ARG+ 54 10.000% * 4.8829% (0.35 1.0 1.00 3.10 5.31) = 4.883% kept T HD2 ARG+ 54 - HG3 PRO 68 10.000% * 0.1921% (0.22 1.0 10.00 0.02 0.02) = 0.192% HB3 CYS 53 - HG3 PRO 68 10.000% * 0.0893% (0.19 1.0 1.00 0.10 0.02) = 0.089% HD3 PRO 93 - HG2 ARG+ 54 10.000% * 0.0432% (0.49 1.0 1.00 0.02 0.02) = 0.043% HD3 PRO 68 - HG2 ARG+ 54 10.000% * 0.0391% (0.44 1.0 1.00 0.02 0.02) = 0.039% HD3 PRO 93 - HG3 PRO 68 10.000% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.011% QB PHE 55 - HG3 PRO 68 10.000% * 0.0084% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 2671 (3.27, 1.86, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.184, support = 3.75, residual support = 132.9: O T HD3 ARG+ 54 - HG2 ARG+ 54 50.000% * 99.7349% (0.18 10.0 10.00 3.76 133.22) = 99.735% kept T HD3 ARG+ 54 - HG3 PRO 68 50.000% * 0.2651% (0.05 1.0 10.00 0.02 0.02) = 0.265% Peak 2672 (4.11, 1.86, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.976, support = 4.57, residual support = 129.1: O T HA ARG+ 54 - HG2 ARG+ 54 6.250% * 96.9065% (1.00 10.0 10.00 4.71 133.22) = 96.906% kept HA ASN 28 - HG2 ARG+ 54 6.250% * 1.3441% (0.53 1.0 1.00 0.52 0.02) = 1.344% kept T HA LYS+ 81 - HG2 ARG+ 54 6.250% * 0.5176% (0.53 1.0 10.00 0.02 0.02) = 0.518% T HA LEU 115 - HG2 ARG+ 54 6.250% * 0.4717% (0.49 1.0 10.00 0.02 0.95) = 0.472% T HA ARG+ 54 - HG3 PRO 68 6.250% * 0.2576% (0.27 1.0 10.00 0.02 0.02) = 0.258% T HA LYS+ 81 - HG3 PRO 68 6.250% * 0.1376% (0.14 1.0 10.00 0.02 0.02) = 0.138% T HA LEU 115 - HG3 PRO 68 6.250% * 0.1254% (0.13 1.0 10.00 0.02 0.02) = 0.125% HA ALA 124 - HG2 ARG+ 54 6.250% * 0.0942% (0.97 1.0 1.00 0.02 0.02) = 0.094% HA GLU- 36 - HG2 ARG+ 54 6.250% * 0.0384% (0.40 1.0 1.00 0.02 0.02) = 0.038% HA ALA 34 - HG2 ARG+ 54 6.250% * 0.0305% (0.31 1.0 1.00 0.02 0.02) = 0.031% HA ALA 124 - HG3 PRO 68 6.250% * 0.0250% (0.26 1.0 1.00 0.02 0.02) = 0.025% HA1 GLY 101 - HG2 ARG+ 54 6.250% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA ASN 28 - HG3 PRO 68 6.250% * 0.0138% (0.14 1.0 1.00 0.02 0.02) = 0.014% HA GLU- 36 - HG3 PRO 68 6.250% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA ALA 34 - HG3 PRO 68 6.250% * 0.0081% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA1 GLY 101 - HG3 PRO 68 6.250% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 2673 (7.87, 1.86, 27.63 ppm): 8 chemical-shift based assignments, quality = 0.815, support = 5.3, residual support = 110.8: HN ARG+ 54 - HG2 ARG+ 54 12.500% * 83.1401% (0.81 6.23 133.22) = 83.140% kept HN LYS+ 38 - HG2 ARG+ 54 12.500% * 13.3200% (0.95 0.86 0.39) = 13.320% kept HN ASP- 62 - HG2 ARG+ 54 12.500% * 2.2642% (0.40 0.35 0.02) = 2.264% kept HN ARG+ 54 - HG3 PRO 68 12.500% * 1.0276% (0.22 0.29 0.02) = 1.028% kept HN LEU 31 - HG2 ARG+ 54 12.500% * 0.1032% (0.31 0.02 0.02) = 0.103% HN LYS+ 38 - HG3 PRO 68 12.500% * 0.0828% (0.25 0.02 0.02) = 0.083% HN ASP- 62 - HG3 PRO 68 12.500% * 0.0346% (0.11 0.02 0.02) = 0.035% HN LEU 31 - HG3 PRO 68 12.500% * 0.0274% (0.08 0.02 0.02) = 0.027% Peak 2674 (1.63, 1.95, 30.44 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 0.299, residual support = 0.201: QB ALA 57 - HB3 ARG+ 54 20.000% * 28.0675% (0.95 0.34 0.21) = 28.067% kept QD LYS+ 33 - HB3 ARG+ 54 20.000% * 26.4341% (0.95 0.32 0.33) = 26.434% kept HD3 LYS+ 111 - HB3 ARG+ 54 20.000% * 23.8375% (0.97 0.28 0.02) = 23.837% kept HB3 LEU 123 - HB3 ARG+ 54 20.000% * 20.5641% (0.95 0.25 0.25) = 20.564% kept HD2 LYS+ 74 - HB3 ARG+ 54 20.000% * 1.0969% (0.63 0.02 0.02) = 1.097% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2675 (7.87, 1.95, 30.44 ppm): 4 chemical-shift based assignments, quality = 0.815, support = 4.16, residual support = 124.2: O HN ARG+ 54 - HB3 ARG+ 54 25.000% * 93.1816% (0.81 10.0 4.40 133.22) = 93.182% kept HN LYS+ 38 - HB3 ARG+ 54 25.000% * 5.1860% (0.95 1.0 0.95 0.39) = 5.186% kept HN ASP- 62 - HB3 ARG+ 54 25.000% * 1.5963% (0.40 1.0 0.70 0.02) = 1.596% kept HN LEU 31 - HB3 ARG+ 54 25.000% * 0.0360% (0.31 1.0 0.02 0.02) = 0.036% Peak 2676 (7.87, 2.05, 30.44 ppm): 4 chemical-shift based assignments, quality = 0.816, support = 5.81, residual support = 123.3: O HN ARG+ 54 - HB2 ARG+ 54 25.000% * 92.5439% (0.81 10.0 6.19 133.22) = 92.544% kept HN LYS+ 38 - HB2 ARG+ 54 25.000% * 5.8349% (0.95 1.0 1.08 0.39) = 5.835% kept HN ASP- 62 - HB2 ARG+ 54 25.000% * 1.5854% (0.40 1.0 0.70 0.02) = 1.585% kept HN LEU 31 - HB2 ARG+ 54 25.000% * 0.0358% (0.31 1.0 0.02 0.02) = 0.036% Peak 2677 (7.27, 4.11, 59.18 ppm): 10 chemical-shift based assignments, quality = 0.551, support = 0.696, residual support = 4.14: HN LYS+ 66 - HA ARG+ 54 10.000% * 41.2496% (0.97 0.50 0.13) = 41.250% kept QE PHE 59 - HA LEU 115 10.000% * 23.3288% (0.18 1.53 14.99) = 23.329% kept HN LYS+ 66 - HA LEU 115 10.000% * 8.7459% (0.24 0.43 0.44) = 8.746% kept QD PHE 60 - HA ARG+ 54 10.000% * 7.2317% (0.44 0.19 0.02) = 7.232% kept QD PHE 60 - HA LEU 115 10.000% * 6.4696% (0.11 0.70 0.02) = 6.470% kept QE PHE 59 - HA ARG+ 54 10.000% * 5.5005% (0.73 0.09 0.02) = 5.500% kept HN PHE 59 - HA LEU 115 10.000% * 3.6732% (0.07 0.63 14.99) = 3.673% kept HN PHE 59 - HA ARG+ 54 10.000% * 2.1061% (0.28 0.09 0.02) = 2.106% kept HN LYS+ 81 - HA LEU 115 10.000% * 1.4641% (0.03 0.51 0.02) = 1.464% kept HN LYS+ 81 - HA ARG+ 54 10.000% * 0.2305% (0.14 0.02 0.02) = 0.231% Peak 2678 (7.86, 4.11, 59.18 ppm): 10 chemical-shift based assignments, quality = 0.818, support = 5.52, residual support = 106.0: O HN ARG+ 54 - HA ARG+ 54 10.000% * 78.9837% (0.95 10.0 6.38 133.22) = 78.984% kept O HN PHE 55 - HA ARG+ 54 10.000% * 15.2968% (0.18 10.0 2.74 5.31) = 15.297% kept HN ASP- 62 - HA ARG+ 54 10.000% * 3.0590% (0.92 1.0 0.80 0.02) = 3.059% kept HN LYS+ 38 - HA ARG+ 54 10.000% * 2.5206% (0.44 1.0 1.38 0.39) = 2.521% kept HN LEU 31 - HA ARG+ 54 10.000% * 0.0711% (0.85 1.0 0.02 0.02) = 0.071% HN ARG+ 54 - HA LEU 115 10.000% * 0.0195% (0.23 1.0 0.02 0.95) = 0.020% HN ASP- 62 - HA LEU 115 10.000% * 0.0190% (0.23 1.0 0.02 0.02) = 0.019% HN LEU 31 - HA LEU 115 10.000% * 0.0175% (0.21 1.0 0.02 0.31) = 0.018% HN LYS+ 38 - HA LEU 115 10.000% * 0.0090% (0.11 1.0 0.02 0.02) = 0.009% HN PHE 55 - HA LEU 115 10.000% * 0.0038% (0.05 1.0 0.02 2.08) = 0.004% Peak 2679 (7.61, 3.33, 38.95 ppm): 5 chemical-shift based assignments, quality = 0.495, support = 3.29, residual support = 13.2: HN ILE 56 - QB PHE 55 20.000% * 78.5059% (0.44 4.10 16.77) = 78.506% kept HD21 ASN 28 - QB PHE 55 20.000% * 8.5074% (0.95 0.21 0.02) = 8.507% kept HZ2 TRP 87 - QB PHE 55 20.000% * 8.0696% (0.77 0.24 0.02) = 8.070% kept QE PHE 60 - QB PHE 55 20.000% * 4.4110% (0.14 0.75 0.15) = 4.411% kept HN LEU 63 - QB PHE 55 20.000% * 0.5061% (0.58 0.02 0.02) = 0.506% Peak 2680 (7.85, 3.33, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.623, support = 3.08, residual support = 14.3: O HN PHE 55 - QB PHE 55 25.000% * 85.0526% (0.63 10.0 3.21 16.20) = 85.053% kept HN ARG+ 54 - QB PHE 55 25.000% * 10.2671% (0.49 1.0 3.13 5.31) = 10.267% kept HN ASP- 62 - QB PHE 55 25.000% * 4.1248% (0.89 1.0 0.69 0.02) = 4.125% kept HN LEU 31 - QB PHE 55 25.000% * 0.5556% (0.95 1.0 0.09 0.33) = 0.556% Peak 2681 (7.29, 3.33, 38.95 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 0.196, residual support = 0.122: QD PHE 60 - QB PHE 55 33.333% * 78.6213% (0.85 0.23 0.15) = 78.621% kept HN LYS+ 66 - QB PHE 55 33.333% * 13.3971% (0.28 0.12 0.02) = 13.397% kept HN LYS+ 81 - QB PHE 55 33.333% * 7.9816% (0.99 0.02 0.02) = 7.982% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2682 (7.61, 1.88, 41.57 ppm): 5 chemical-shift based assignments, quality = 0.488, support = 3.21, residual support = 49.6: O HN ILE 56 - HB ILE 56 20.000% * 57.2358% (0.14 10.0 4.82 85.51) = 57.236% kept HZ2 TRP 87 - HB ILE 56 20.000% * 23.5312% (1.00 1.0 1.11 2.55) = 23.531% kept HD21 ASN 28 - HB ILE 56 20.000% * 18.9567% (0.92 1.0 0.97 0.36) = 18.957% kept QE PHE 60 - HB ILE 56 20.000% * 0.1864% (0.44 1.0 0.02 0.20) = 0.186% HN LEU 63 - HB ILE 56 20.000% * 0.0899% (0.21 1.0 0.02 0.02) = 0.090% Peak 2683 (7.34, 1.88, 41.57 ppm): 7 chemical-shift based assignments, quality = 0.459, support = 1.7, residual support = 10.4: QD PHE 55 - HB ILE 56 14.286% * 62.0230% (0.28 2.49 16.77) = 62.023% kept QE PHE 95 - HB ILE 56 14.286% * 32.2856% (0.77 0.47 0.02) = 32.286% kept HN LEU 67 - HB ILE 56 14.286% * 1.7668% (0.99 0.02 0.02) = 1.767% kept HN THR 23 - HB ILE 56 14.286% * 1.4582% (0.81 0.02 0.02) = 1.458% kept HD1 TRP 49 - HB ILE 56 14.286% * 1.2150% (0.68 0.02 0.02) = 1.215% kept HD2 HIS 22 - HB ILE 56 14.286% * 0.8711% (0.49 0.02 0.02) = 0.871% HE3 TRP 27 - HB ILE 56 14.286% * 0.3803% (0.21 0.02 0.02) = 0.380% Peak 2684 (0.80, 1.88, 41.57 ppm): 5 chemical-shift based assignments, quality = 0.813, support = 3.67, residual support = 85.3: O T QD1 ILE 56 - HB ILE 56 20.000% * 99.7806% (0.81 10.0 10.00 3.68 85.51) = 99.781% kept HG3 LYS+ 121 - HB ILE 56 20.000% * 0.1047% (0.85 1.0 1.00 0.02 0.02) = 0.105% QD2 LEU 73 - HB ILE 56 20.000% * 0.0596% (0.49 1.0 1.00 0.02 0.45) = 0.060% HG LEU 31 - HB ILE 56 20.000% * 0.0386% (0.31 1.0 1.00 0.02 0.11) = 0.039% QD2 LEU 123 - HB ILE 56 20.000% * 0.0166% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 2685 (0.80, 1.72, 31.79 ppm): 5 chemical-shift based assignments, quality = 0.81, support = 3.45, residual support = 84.1: O T QD1 ILE 56 - QG1 ILE 56 20.000% * 98.3267% (0.81 10.0 10.00 3.50 85.51) = 98.327% kept T HG3 LYS+ 121 - QG1 ILE 56 20.000% * 1.0316% (0.85 1.0 10.00 0.02 0.02) = 1.032% kept T QD2 LEU 73 - QG1 ILE 56 20.000% * 0.5874% (0.49 1.0 10.00 0.02 0.45) = 0.587% HG LEU 31 - QG1 ILE 56 20.000% * 0.0380% (0.31 1.0 1.00 0.02 0.11) = 0.038% QD2 LEU 123 - QG1 ILE 56 20.000% * 0.0163% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 2686 (1.28, 0.79, 15.02 ppm): 6 chemical-shift based assignments, quality = 0.622, support = 4.08, residual support = 83.4: T QG2 ILE 56 - QD1 ILE 56 16.667% * 97.4872% (0.63 10.00 4.18 85.51) = 97.487% kept T QB ALA 34 - QD1 ILE 56 16.667% * 1.2796% (0.82 10.00 0.02 0.02) = 1.280% kept HG3 LYS+ 38 - QD1 ILE 56 16.667% * 0.7181% (0.41 1.00 0.23 0.02) = 0.718% QB ALA 91 - QD1 ILE 56 16.667% * 0.3492% (0.17 1.00 0.26 0.02) = 0.349% QG2 THR 23 - QD1 ILE 56 16.667% * 0.1395% (0.90 1.00 0.02 0.02) = 0.140% QG2 THR 39 - QD1 ILE 56 16.667% * 0.0264% (0.17 1.00 0.02 0.02) = 0.026% Peak 2687 (1.43, 0.79, 15.02 ppm): 11 chemical-shift based assignments, quality = 0.777, support = 0.692, residual support = 0.42: QB ALA 110 - QD1 ILE 56 9.091% * 32.7667% (0.79 1.00 1.09 0.79) = 32.767% kept QB ALA 61 - QD1 ILE 56 9.091% * 22.5892% (0.92 1.00 0.64 0.42) = 22.589% kept HG LEU 73 - QD1 ILE 56 9.091% * 13.0885% (0.54 1.00 0.64 0.45) = 13.089% kept HB3 LEU 67 - QD1 ILE 56 9.091% * 13.0728% (0.90 1.00 0.38 0.02) = 13.073% kept QG LYS+ 66 - QD1 ILE 56 9.091% * 11.9976% (0.75 1.00 0.42 0.02) = 11.998% kept HG LEU 80 - QD1 ILE 56 9.091% * 3.8169% (0.82 1.00 0.12 0.02) = 3.817% kept T HD3 LYS+ 121 - QD1 ILE 56 9.091% * 1.1127% (0.15 10.00 0.02 0.02) = 1.113% kept HG12 ILE 19 - QD1 ILE 56 9.091% * 0.5424% (0.71 1.00 0.02 0.02) = 0.542% HB3 LYS+ 74 - QD1 ILE 56 9.091% * 0.5080% (0.12 1.00 0.11 0.02) = 0.508% HG2 LYS+ 102 - QD1 ILE 56 9.091% * 0.3098% (0.41 1.00 0.02 0.02) = 0.310% HB2 LEU 80 - QD1 ILE 56 9.091% * 0.1954% (0.26 1.00 0.02 0.02) = 0.195% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2688 (1.71, 0.79, 15.02 ppm): 8 chemical-shift based assignments, quality = 0.728, support = 3.06, residual support = 72.1: O T QG1 ILE 56 - QD1 ILE 56 12.500% * 84.2636% (0.79 10.0 10.00 3.50 85.51) = 84.264% kept T HB2 LEU 73 - QD1 ILE 56 12.500% * 15.4568% (0.41 1.0 10.00 0.71 0.45) = 15.457% kept QD LYS+ 99 - QD1 ILE 56 12.500% * 0.0716% (0.67 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 99 - QD1 ILE 56 12.500% * 0.0716% (0.67 1.0 1.00 0.02 0.02) = 0.072% QD LYS+ 106 - QD1 ILE 56 12.500% * 0.0669% (0.63 1.0 1.00 0.02 0.02) = 0.067% HB3 MET 92 - QD1 ILE 56 12.500% * 0.0274% (0.26 1.0 1.00 0.02 0.02) = 0.027% HB ILE 89 - QD1 ILE 56 12.500% * 0.0240% (0.23 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 111 - QD1 ILE 56 12.500% * 0.0181% (0.17 1.0 1.00 0.02 0.84) = 0.018% Peak 2689 (1.89, 0.79, 15.02 ppm): 8 chemical-shift based assignments, quality = 0.724, support = 2.61, residual support = 55.0: O T HB ILE 56 - QD1 ILE 56 12.500% * 63.9477% (0.63 10.0 10.00 3.68 85.51) = 63.948% kept T HB3 GLN 30 - QD1 ILE 56 12.500% * 33.2952% (0.91 1.0 10.00 0.72 0.97) = 33.295% kept HB3 PRO 58 - QD1 ILE 56 12.500% * 2.5335% (0.79 1.0 1.00 0.63 0.11) = 2.533% kept HB2 MET 92 - QD1 ILE 56 12.500% * 0.0930% (0.91 1.0 1.00 0.02 0.02) = 0.093% HB3 LYS+ 38 - QD1 ILE 56 12.500% * 0.0805% (0.79 1.0 1.00 0.02 0.02) = 0.081% QB LYS+ 106 - QD1 ILE 56 12.500% * 0.0200% (0.20 1.0 1.00 0.02 0.02) = 0.020% QB LYS+ 81 - QD1 ILE 56 12.500% * 0.0173% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 GLN 90 - QD1 ILE 56 12.500% * 0.0127% (0.12 1.0 1.00 0.02 0.93) = 0.013% Peak 2690 (3.46, 0.79, 15.02 ppm): 4 chemical-shift based assignments, quality = 0.708, support = 1.42, residual support = 4.14: T HA LYS+ 112 - QD1 ILE 56 25.000% * 98.5996% (0.71 10.00 1.43 4.19) = 98.600% kept HB2 HIS 122 - QD1 ILE 56 25.000% * 1.3394% (0.41 1.00 0.34 0.22) = 1.339% kept HB THR 46 - QD1 ILE 56 25.000% * 0.0328% (0.17 1.00 0.02 0.02) = 0.033% HB2 HIS 22 - QD1 ILE 56 25.000% * 0.0282% (0.15 1.00 0.02 0.02) = 0.028% Peak 2691 (4.46, 0.79, 15.02 ppm): 4 chemical-shift based assignments, quality = 0.774, support = 2.29, residual support = 9.19: HA PHE 55 - QD1 ILE 56 25.000% * 52.4094% (0.67 3.28 16.77) = 52.409% kept HA ALA 110 - QD1 ILE 56 25.000% * 30.7475% (0.91 1.41 0.79) = 30.748% kept HA GLN 90 - QD1 ILE 56 25.000% * 16.7357% (0.85 0.82 0.93) = 16.736% kept HA VAL 107 - QD1 ILE 56 25.000% * 0.1074% (0.23 0.02 0.02) = 0.107% Peak 2692 (6.90, 0.79, 15.02 ppm): 1 chemical-shift based assignment, quality = 0.752, support = 1.85, residual support = 4.85: HN LYS+ 65 - QD1 ILE 56 100.000% *100.0000% (0.75 1.85 4.85) = 100.000% kept Peak 2693 (7.23, 0.79, 15.02 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 1.44, residual support = 2.2: HH2 TRP 87 - QD1 ILE 56 33.333% * 72.4676% (0.82 1.75 2.55) = 72.468% kept HN HIS 122 - QD1 ILE 56 33.333% * 19.4577% (0.75 0.51 0.22) = 19.458% kept HN PHE 59 - QD1 ILE 56 33.333% * 8.0747% (0.17 0.94 3.85) = 8.075% kept Peak 2694 (7.39, 0.79, 15.02 ppm): 4 chemical-shift based assignments, quality = 0.53, support = 2.23, residual support = 9.48: HN ALA 57 - QD1 ILE 56 25.000% * 55.4332% (0.29 3.40 16.41) = 55.433% kept HE21 GLN 90 - QD1 ILE 56 25.000% * 41.1371% (0.88 0.84 0.93) = 41.137% kept HD21 ASN 35 - QD1 ILE 56 25.000% * 2.1313% (0.23 0.17 0.02) = 2.131% kept HE21 GLN 116 - QD1 ILE 56 25.000% * 1.2984% (0.23 0.10 0.11) = 1.298% kept Peak 2695 (7.61, 0.79, 15.02 ppm): 5 chemical-shift based assignments, quality = 0.667, support = 2.19, residual support = 20.8: HZ2 TRP 87 - QD1 ILE 56 20.000% * 46.5469% (0.92 1.52 2.55) = 46.547% kept HN ILE 56 - QD1 ILE 56 20.000% * 22.7937% (0.12 5.52 85.51) = 22.794% kept HD21 ASN 28 - QD1 ILE 56 20.000% * 19.0842% (0.85 0.68 0.36) = 19.084% kept QE PHE 60 - QD1 ILE 56 20.000% * 11.4456% (0.41 0.85 0.20) = 11.446% kept HN LEU 63 - QD1 ILE 56 20.000% * 0.1297% (0.20 0.02 0.02) = 0.130% Peak 2696 (8.51, 0.79, 15.02 ppm): 3 chemical-shift based assignments, quality = 0.366, support = 1.54, residual support = 4.09: HN LYS+ 112 - QD1 ILE 56 33.333% * 97.6605% (0.37 1.57 4.19) = 97.660% kept HN ASP- 78 - QD1 ILE 56 33.333% * 1.6736% (0.49 0.02 0.02) = 1.674% kept HN MET 11 - QD1 ILE 56 33.333% * 0.6659% (0.20 0.02 0.02) = 0.666% Peak 2697 (3.18, 1.72, 31.79 ppm): 2 chemical-shift based assignments, quality = 0.243, support = 1.7, residual support = 3.84: T HB3 PHE 59 - QG1 ILE 56 50.000% * 99.7888% (0.24 10.00 1.71 3.85) = 99.789% kept HB2 PHE 95 - QG1 ILE 56 50.000% * 0.2112% (0.44 1.00 0.02 0.02) = 0.211% Peak 2698 (3.35, 1.72, 31.79 ppm): 6 chemical-shift based assignments, quality = 0.547, support = 2.65, residual support = 10.5: QB PHE 55 - QG1 ILE 56 16.667% * 59.9944% (0.49 3.80 16.77) = 59.994% kept HD2 ARG+ 54 - QG1 ILE 56 16.667% * 19.9416% (0.92 0.67 0.02) = 19.942% kept HB2 PHE 59 - QG1 ILE 56 16.667% * 12.0166% (0.21 1.75 3.85) = 12.017% kept HD3 PRO 93 - QG1 ILE 56 16.667% * 7.1163% (0.63 0.35 0.02) = 7.116% kept HB3 CYS 53 - QG1 ILE 56 16.667% * 0.5539% (0.85 0.02 0.02) = 0.554% HD3 PRO 68 - QG1 ILE 56 16.667% * 0.3772% (0.58 0.02 0.02) = 0.377% Peak 2699 (6.90, 1.72, 31.79 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 1.5, residual support = 4.85: HN LYS+ 65 - QG1 ILE 56 100.000% *100.0000% (0.81 1.50 4.85) = 100.000% kept Peak 2700 (7.21, 1.72, 31.79 ppm): 4 chemical-shift based assignments, quality = 0.277, support = 0.988, residual support = 2.66: QD PHE 59 - QG1 ILE 56 25.000% * 43.0716% (0.21 1.43 3.85) = 43.072% kept HH2 TRP 87 - QG1 ILE 56 25.000% * 37.6519% (0.35 0.75 2.55) = 37.652% kept HN HIS 122 - QG1 ILE 56 25.000% * 18.6747% (0.28 0.47 0.22) = 18.675% kept HD1 TRP 27 - QG1 ILE 56 25.000% * 0.6017% (0.21 0.02 0.02) = 0.602% Peak 2701 (7.61, 4.38, 60.23 ppm): 5 chemical-shift based assignments, quality = 0.342, support = 3.55, residual support = 61.9: O HN ILE 56 - HA ILE 56 20.000% * 71.9209% (0.14 10.0 4.76 85.51) = 71.921% kept HZ2 TRP 87 - HA ILE 56 20.000% * 12.9363% (1.00 1.0 0.49 2.55) = 12.936% kept HD21 ASN 28 - HA ILE 56 20.000% * 11.9199% (0.92 1.0 0.49 0.36) = 11.920% kept HN LEU 63 - HA ILE 56 20.000% * 2.3281% (0.21 1.0 0.41 0.02) = 2.328% kept QE PHE 60 - HA ILE 56 20.000% * 0.8948% (0.44 1.0 0.08 0.20) = 0.895% Peak 2702 (3.81, 1.64, 16.31 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 4.7, residual support = 17.7: T HD2 PRO 58 - QB ALA 57 20.000% * 98.8146% (0.92 10.00 4.76 17.95) = 98.815% kept T HA VAL 83 - QB ALA 57 20.000% * 1.0401% (0.97 10.00 0.02 0.02) = 1.040% kept HA GLU- 100 - QB ALA 57 20.000% * 0.1057% (0.99 1.00 0.02 0.02) = 0.106% HB2 CYS 53 - QB ALA 57 20.000% * 0.0227% (0.21 1.00 0.02 0.02) = 0.023% HA LYS+ 38 - QB ALA 57 20.000% * 0.0169% (0.16 1.00 0.02 0.49) = 0.017% Peak 2703 (7.44, 1.64, 16.31 ppm): 4 chemical-shift based assignments, quality = 0.442, support = 1.49, residual support = 1.89: HN ALA 120 - QB ALA 57 25.000% * 92.5528% (0.44 1.60 2.04) = 92.553% kept HN LEU 123 - QB ALA 57 25.000% * 3.7736% (0.21 0.14 0.02) = 3.774% kept HN ALA 124 - QB ALA 57 25.000% * 2.0214% (0.77 0.02 0.02) = 2.021% kept HE21 GLN 17 - QB ALA 57 25.000% * 1.6523% (0.63 0.02 0.02) = 1.652% kept Peak 2704 (7.42, 4.26, 57.40 ppm): 5 chemical-shift based assignments, quality = 0.511, support = 3.28, residual support = 12.7: O HN ALA 57 - HA ALA 57 20.000% * 83.5422% (0.44 10.0 3.64 14.85) = 83.542% kept HN ALA 120 - HA ALA 57 20.000% * 14.6427% (0.95 1.0 1.63 2.04) = 14.643% kept HN ALA 124 - HA ALA 57 20.000% * 1.3613% (0.24 1.0 0.59 0.02) = 1.361% kept HE21 GLN 116 - HA ALA 57 20.000% * 0.4238% (0.53 1.0 0.08 0.02) = 0.424% HE21 GLN 17 - HA ALA 57 20.000% * 0.0300% (0.16 1.0 0.02 0.02) = 0.030% Peak 2705 (1.65, 4.26, 57.40 ppm): 8 chemical-shift based assignments, quality = 0.411, support = 2.51, residual support = 14.1: O T QB ALA 57 - HA ALA 57 12.500% * 95.2771% (0.40 10.0 10.00 2.63 14.85) = 95.277% kept HD2 LYS+ 74 - HA ALA 57 12.500% * 2.3341% (0.77 1.0 1.00 0.25 0.02) = 2.334% kept HB2 LYS+ 121 - HA ALA 57 12.500% * 1.7287% (0.89 1.0 1.00 0.16 0.02) = 1.729% kept QD LYS+ 65 - HA ALA 57 12.500% * 0.2054% (0.85 1.0 1.00 0.02 0.02) = 0.205% HB VAL 83 - HA ALA 57 12.500% * 0.1854% (0.77 1.0 1.00 0.02 0.02) = 0.185% QD LYS+ 38 - HA ALA 57 12.500% * 0.1399% (0.58 1.0 1.00 0.02 0.49) = 0.140% HD3 LYS+ 111 - HA ALA 57 12.500% * 0.0852% (0.35 1.0 1.00 0.02 0.02) = 0.085% QD LYS+ 102 - HA ALA 57 12.500% * 0.0442% (0.18 1.0 1.00 0.02 0.02) = 0.044% Peak 2706 (8.06, 2.35, 31.07 ppm): 4 chemical-shift based assignments, quality = 0.956, support = 0.637, residual support = 0.855: HN GLN 32 - HB2 PRO 58 25.000% * 93.4975% (1.00 0.67 0.91) = 93.497% kept HN LEU 80 - HB2 PRO 58 25.000% * 3.7188% (0.18 0.15 0.02) = 3.719% kept HN SER 85 - HB2 PRO 58 25.000% * 2.0130% (0.73 0.02 0.02) = 2.013% kept HN ALA 34 - HB2 PRO 58 25.000% * 0.7708% (0.28 0.02 0.02) = 0.771% Peak 2707 (7.26, 1.89, 31.07 ppm): 4 chemical-shift based assignments, quality = 0.517, support = 5.73, residual support = 35.6: O HN PHE 59 - HB3 PRO 58 25.000% * 88.5853% (0.49 10.0 6.26 35.64) = 88.585% kept QE PHE 59 - HB3 PRO 58 25.000% * 11.2972% (0.76 1.0 1.63 35.64) = 11.297% kept HN LYS+ 66 - HB3 PRO 58 25.000% * 0.0954% (0.52 1.0 0.02 0.02) = 0.095% QD PHE 60 - HB3 PRO 58 25.000% * 0.0222% (0.12 1.0 0.02 0.12) = 0.022% Peak 2708 (3.81, 1.98, 28.60 ppm): 5 chemical-shift based assignments, quality = 0.921, support = 5.26, residual support = 136.7: O HD2 PRO 58 - HG3 PRO 58 20.000% * 99.7483% (0.92 10.0 5.27 137.07) = 99.748% kept HA GLU- 100 - HG3 PRO 58 20.000% * 0.1067% (0.99 1.0 0.02 0.02) = 0.107% HA VAL 83 - HG3 PRO 58 20.000% * 0.1050% (0.97 1.0 0.02 0.02) = 0.105% HB2 CYS 53 - HG3 PRO 58 20.000% * 0.0230% (0.21 1.0 0.02 0.02) = 0.023% HA LYS+ 38 - HG3 PRO 58 20.000% * 0.0171% (0.16 1.0 0.02 0.02) = 0.017% Peak 2709 (4.42, 1.98, 28.60 ppm): 8 chemical-shift based assignments, quality = 0.674, support = 4.47, residual support = 136.1: O HA PRO 58 - HG3 PRO 58 12.500% * 99.2812% (0.68 10.0 4.50 137.07) = 99.281% kept HA THR 46 - HG3 PRO 58 12.500% * 0.1389% (0.95 1.0 0.02 0.02) = 0.139% HA SER 37 - HG3 PRO 58 12.500% * 0.1303% (0.89 1.0 0.02 0.02) = 0.130% HA GLN 17 - HG3 PRO 58 12.500% * 0.1303% (0.89 1.0 0.02 0.02) = 0.130% HA SER 13 - HG3 PRO 58 12.500% * 0.1062% (0.73 1.0 0.02 0.02) = 0.106% HA GLU- 15 - HG3 PRO 58 12.500% * 0.1062% (0.73 1.0 0.02 0.02) = 0.106% HA LEU 40 - HG3 PRO 58 12.500% * 0.0712% (0.49 1.0 0.02 0.02) = 0.071% HA VAL 42 - HG3 PRO 58 12.500% * 0.0357% (0.24 1.0 0.02 0.02) = 0.036% Peak 2710 (7.42, 3.81, 50.93 ppm): 5 chemical-shift based assignments, quality = 0.593, support = 3.88, residual support = 10.5: HN ALA 57 - HD2 PRO 58 20.000% * 55.5955% (0.41 5.55 17.95) = 55.595% kept HN ALA 120 - HD2 PRO 58 20.000% * 41.0303% (0.88 1.90 1.18) = 41.030% kept HN ALA 124 - HD2 PRO 58 20.000% * 3.0595% (0.23 0.55 0.02) = 3.060% kept HE21 GLN 116 - HD2 PRO 58 20.000% * 0.2427% (0.49 0.02 0.02) = 0.243% HE21 GLN 17 - HD2 PRO 58 20.000% * 0.0719% (0.15 0.02 0.02) = 0.072% Peak 2711 (4.42, 3.72, 50.93 ppm): 8 chemical-shift based assignments, quality = 0.622, support = 6.28, residual support = 136.1: O HA PRO 58 - HD3 PRO 58 12.500% * 99.2812% (0.63 10.0 6.32 137.07) = 99.281% kept HA THR 46 - HD3 PRO 58 12.500% * 0.1389% (0.88 1.0 0.02 0.02) = 0.139% HA SER 37 - HD3 PRO 58 12.500% * 0.1303% (0.82 1.0 0.02 0.02) = 0.130% HA GLN 17 - HD3 PRO 58 12.500% * 0.1303% (0.82 1.0 0.02 0.02) = 0.130% HA SER 13 - HD3 PRO 58 12.500% * 0.1062% (0.67 1.0 0.02 0.02) = 0.106% HA GLU- 15 - HD3 PRO 58 12.500% * 0.1062% (0.67 1.0 0.02 0.02) = 0.106% HA LEU 40 - HD3 PRO 58 12.500% * 0.0712% (0.45 1.0 0.02 0.02) = 0.071% HA VAL 42 - HD3 PRO 58 12.500% * 0.0357% (0.23 1.0 0.02 0.02) = 0.036% Peak 2712 (7.42, 3.72, 50.93 ppm): 5 chemical-shift based assignments, quality = 0.611, support = 2.78, residual support = 9.93: HN ALA 57 - HD3 PRO 58 20.000% * 52.3690% (0.41 3.95 17.95) = 52.369% kept HN ALA 120 - HD3 PRO 58 20.000% * 44.7261% (0.88 1.56 1.18) = 44.726% kept HN ALA 124 - HD3 PRO 58 20.000% * 2.4883% (0.23 0.34 0.02) = 2.488% kept HE21 GLN 116 - HD3 PRO 58 20.000% * 0.3214% (0.49 0.02 0.02) = 0.321% HE21 GLN 17 - HD3 PRO 58 20.000% * 0.0953% (0.15 0.02 0.02) = 0.095% Peak 2713 (1.64, 3.72, 50.93 ppm): 9 chemical-shift based assignments, quality = 0.788, support = 2.81, residual support = 16.9: QB ALA 57 - HD3 PRO 58 11.111% * 94.3735% (0.82 2.97 17.95) = 94.373% kept HB2 LYS+ 121 - HD3 PRO 58 11.111% * 2.0426% (0.37 0.14 0.02) = 2.043% kept QD LYS+ 65 - HD3 PRO 58 11.111% * 1.1987% (0.33 0.09 0.02) = 1.199% kept HD2 LYS+ 74 - HD3 PRO 58 11.111% * 0.7036% (0.91 0.02 0.02) = 0.704% HD3 LYS+ 111 - HD3 PRO 58 11.111% * 0.6093% (0.79 0.02 0.02) = 0.609% QD LYS+ 33 - HD3 PRO 58 11.111% * 0.3806% (0.49 0.02 0.02) = 0.381% HB3 LEU 123 - HD3 PRO 58 11.111% * 0.3806% (0.49 0.02 0.02) = 0.381% HB VAL 83 - HD3 PRO 58 11.111% * 0.1982% (0.26 0.02 0.02) = 0.198% QD LYS+ 38 - HD3 PRO 58 11.111% * 0.1128% (0.15 0.02 0.02) = 0.113% Peak 2714 (1.64, 3.81, 50.93 ppm): 9 chemical-shift based assignments, quality = 0.817, support = 4.63, residual support = 17.5: T QB ALA 57 - HD2 PRO 58 11.111% * 97.2448% (0.82 10.00 4.76 17.95) = 97.245% kept HD2 LYS+ 74 - HD2 PRO 58 11.111% * 1.8991% (0.91 1.00 0.35 0.02) = 1.899% kept T HB VAL 83 - HD2 PRO 58 11.111% * 0.3034% (0.26 10.00 0.02 0.02) = 0.303% HB2 LYS+ 121 - HD2 PRO 58 11.111% * 0.2869% (0.37 1.00 0.13 0.02) = 0.287% HD3 LYS+ 111 - HD2 PRO 58 11.111% * 0.0933% (0.79 1.00 0.02 0.02) = 0.093% HB3 LEU 123 - HD2 PRO 58 11.111% * 0.0583% (0.49 1.00 0.02 0.02) = 0.058% QD LYS+ 33 - HD2 PRO 58 11.111% * 0.0583% (0.49 1.00 0.02 0.02) = 0.058% QD LYS+ 65 - HD2 PRO 58 11.111% * 0.0387% (0.33 1.00 0.02 0.02) = 0.039% QD LYS+ 38 - HD2 PRO 58 11.111% * 0.0173% (0.15 1.00 0.02 0.02) = 0.017% Peak 2715 (3.81, 3.72, 50.93 ppm): 5 chemical-shift based assignments, quality = 0.85, support = 7.1, residual support = 136.7: O T HD2 PRO 58 - HD3 PRO 58 20.000% * 99.7483% (0.85 10.0 10.00 7.12 137.07) = 99.748% kept HA GLU- 100 - HD3 PRO 58 20.000% * 0.1067% (0.91 1.0 1.00 0.02 0.02) = 0.107% HA VAL 83 - HD3 PRO 58 20.000% * 0.1050% (0.90 1.0 1.00 0.02 0.02) = 0.105% HB2 CYS 53 - HD3 PRO 58 20.000% * 0.0230% (0.20 1.0 1.00 0.02 0.02) = 0.023% HA LYS+ 38 - HD3 PRO 58 20.000% * 0.0171% (0.15 1.0 1.00 0.02 0.02) = 0.017% Peak 2716 (3.72, 3.81, 50.93 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 7.11, residual support = 136.9: O T HD3 PRO 58 - HD2 PRO 58 25.000% * 99.8674% (0.92 10.0 10.00 7.12 137.07) = 99.867% kept HA VAL 75 - HD2 PRO 58 25.000% * 0.0854% (0.79 1.0 1.00 0.02 0.02) = 0.085% HA ALA 61 - HD2 PRO 58 25.000% * 0.0315% (0.29 1.0 1.00 0.02 0.02) = 0.031% HD2 PRO 68 - HD2 PRO 58 25.000% * 0.0158% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 2717 (7.24, 3.81, 50.93 ppm): 4 chemical-shift based assignments, quality = 0.54, support = 6.09, residual support = 35.4: HN PHE 59 - HD2 PRO 58 25.000% * 89.5712% (0.58 6.57 35.64) = 89.571% kept QE PHE 59 - HD2 PRO 58 25.000% * 9.6099% (0.20 2.09 35.64) = 9.610% kept HN HIS 122 - HD2 PRO 58 25.000% * 0.4199% (0.90 0.02 0.02) = 0.420% HH2 TRP 87 - HD2 PRO 58 25.000% * 0.3990% (0.85 0.02 0.02) = 0.399% Peak 2718 (1.74, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.499, support = 1.63, residual support = 3.51: T QG1 ILE 56 - HB3 PHE 59 33.333% * 77.0673% (0.40 10.00 1.71 3.85) = 77.067% kept HB ILE 89 - HB3 PHE 59 33.333% * 16.2843% (0.97 1.00 1.47 2.79) = 16.284% kept HB3 LYS+ 99 - HB3 PHE 59 33.333% * 6.6484% (0.53 1.00 1.09 1.24) = 6.648% kept Peak 2719 (2.43, 3.16, 39.73 ppm): 6 chemical-shift based assignments, quality = 0.702, support = 0.128, residual support = 1.41: QE LYS+ 112 - HB3 PHE 59 16.667% * 47.5616% (0.73 0.18 2.78) = 47.562% kept HB3 PHE 45 - HB3 PHE 59 16.667% * 29.9664% (0.73 0.11 0.12) = 29.966% kept HB VAL 107 - HB3 PHE 59 16.667% * 7.2668% (0.24 0.08 0.31) = 7.267% kept HG2 GLU- 29 - HB3 PHE 59 16.667% * 6.9457% (0.95 0.02 0.02) = 6.946% kept HB3 ASP- 86 - HB3 PHE 59 16.667% * 5.9567% (0.81 0.02 0.02) = 5.957% kept HB3 ASP- 62 - HB3 PHE 59 16.667% * 2.3028% (0.31 0.02 1.13) = 2.303% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2720 (1.75, 3.32, 39.73 ppm): 4 chemical-shift based assignments, quality = 0.527, support = 1.46, residual support = 2.75: HB ILE 89 - HB2 PHE 59 25.000% * 98.7313% (0.53 1.47 2.79) = 98.731% kept HB VAL 43 - HB2 PHE 59 25.000% * 0.5327% (0.21 0.02 0.02) = 0.533% QD LYS+ 81 - HB2 PHE 59 25.000% * 0.3968% (0.16 0.02 0.02) = 0.397% HB2 LYS+ 99 - HB2 PHE 59 25.000% * 0.3392% (0.14 0.02 1.24) = 0.339% Peak 2721 (7.23, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.182, support = 4.44, residual support = 49.8: O HN PHE 59 - HB3 PHE 59 33.333% * 99.0814% (0.18 10.0 4.48 50.28) = 99.081% kept HH2 TRP 87 - HB3 PHE 59 33.333% * 0.4799% (0.89 1.0 0.02 0.11) = 0.480% HN HIS 122 - HB3 PHE 59 33.333% * 0.4388% (0.81 1.0 0.02 0.02) = 0.439% Peak 2723 (7.25, 3.32, 39.73 ppm): 5 chemical-shift based assignments, quality = 0.983, support = 3.73, residual support = 50.2: O HN PHE 59 - HB2 PHE 59 20.000% * 93.9478% (1.00 10.0 3.86 50.28) = 93.948% kept QE PHE 59 - HB2 PHE 59 20.000% * 5.9519% (0.73 1.0 1.74 50.28) = 5.952% kept HN HIS 122 - HB2 PHE 59 20.000% * 0.0457% (0.49 1.0 0.02 0.02) = 0.046% HH2 TRP 87 - HB2 PHE 59 20.000% * 0.0373% (0.40 1.0 0.02 0.11) = 0.037% HN LYS+ 66 - HB2 PHE 59 20.000% * 0.0173% (0.18 1.0 0.02 0.02) = 0.017% Peak 2724 (2.65, 4.35, 60.90 ppm): 2 chemical-shift based assignments, quality = 0.887, support = 0.694, residual support = 0.953: HB2 ASP- 62 - HA PHE 59 50.000% * 84.0994% (0.99 0.75 1.13) = 84.099% kept HB2 PRO 52 - HA PHE 59 50.000% * 15.9006% (0.35 0.39 0.02) = 15.901% kept Peak 2725 (2.48, 4.35, 60.90 ppm): 4 chemical-shift based assignments, quality = 0.182, support = 0.435, residual support = 0.187: T HB3 TRP 87 - HA PHE 59 25.000% * 74.9632% (0.16 10.00 0.35 0.11) = 74.963% kept HG3 GLN 116 - HA PHE 59 25.000% * 22.1359% (0.21 1.00 0.77 0.46) = 22.136% kept HG2 GLU- 36 - HA PHE 59 25.000% * 1.8312% (0.68 1.00 0.02 0.02) = 1.831% kept HG3 MET 96 - HA PHE 59 25.000% * 1.0697% (0.40 1.00 0.02 0.02) = 1.070% kept Not enough quality. Peak unassigned. Peak 2726 (7.25, 4.35, 60.90 ppm): 5 chemical-shift based assignments, quality = 0.983, support = 4.19, residual support = 50.2: O HN PHE 59 - HA PHE 59 20.000% * 93.8874% (1.00 10.0 4.35 50.28) = 93.887% kept QE PHE 59 - HA PHE 59 20.000% * 6.0124% (0.73 1.0 1.76 50.28) = 6.012% kept HN HIS 122 - HA PHE 59 20.000% * 0.0457% (0.49 1.0 0.02 0.02) = 0.046% HH2 TRP 87 - HA PHE 59 20.000% * 0.0372% (0.40 1.0 0.02 0.11) = 0.037% HN LYS+ 66 - HA PHE 59 20.000% * 0.0173% (0.18 1.0 0.02 0.02) = 0.017% Peak 2727 (8.20, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.644, support = 2.84, residual support = 7.82: HN PHE 60 - HB3 PHE 59 33.333% * 62.5645% (0.49 3.94 11.08) = 62.564% kept HN GLU- 15 - HB3 PHE 59 33.333% * 34.1042% (0.97 1.07 1.91) = 34.104% kept HN THR 118 - HB3 PHE 59 33.333% * 3.3313% (0.24 0.42 7.00) = 3.331% kept Peak 2729 (7.28, 3.92, 62.21 ppm): 4 chemical-shift based assignments, quality = 0.912, support = 3.46, residual support = 52.5: QD PHE 60 - HA PHE 60 25.000% * 85.4861% (1.00 3.84 60.43) = 85.486% kept QE PHE 59 - HA PHE 60 25.000% * 6.8916% (0.14 2.28 11.08) = 6.892% kept HN LYS+ 66 - HA PHE 60 25.000% * 5.0754% (0.63 0.36 0.72) = 5.075% kept HN LYS+ 81 - HA PHE 60 25.000% * 2.5469% (0.73 0.16 0.02) = 2.547% kept Peak 2730 (8.20, 3.92, 62.21 ppm): 3 chemical-shift based assignments, quality = 0.571, support = 4.05, residual support = 50.0: O HN PHE 60 - HA PHE 60 33.333% * 82.1372% (0.49 10.0 4.46 60.43) = 82.137% kept HN GLU- 15 - HA PHE 60 33.333% * 17.6653% (0.97 1.0 2.15 2.19) = 17.665% kept HN THR 118 - HA PHE 60 33.333% * 0.1975% (0.24 1.0 0.10 0.10) = 0.197% Peak 2731 (7.73, 3.92, 62.21 ppm): 6 chemical-shift based assignments, quality = 0.749, support = 4.82, residual support = 25.4: O HN ALA 61 - HA PHE 60 16.667% * 94.9756% (0.77 10.0 5.02 26.75) = 94.976% kept HD1 TRP 87 - HA PHE 60 16.667% * 2.5087% (0.31 1.0 1.29 0.44) = 2.509% kept HN THR 39 - HA PHE 60 16.667% * 2.2402% (0.35 1.0 1.03 0.53) = 2.240% kept HN TRP 27 - HA PHE 60 16.667% * 0.1215% (0.99 1.0 0.02 0.02) = 0.122% HN ALA 91 - HA PHE 60 16.667% * 0.1052% (0.85 1.0 0.02 0.02) = 0.105% HE3 TRP 87 - HA PHE 60 16.667% * 0.0488% (0.40 1.0 0.02 0.44) = 0.049% Peak 2732 (4.29, 3.40, 40.02 ppm): 11 chemical-shift based assignments, quality = 0.869, support = 0.357, residual support = 0.188: HA SER 85 - HB2 PHE 60 9.091% * 20.9524% (0.97 0.42 0.02) = 20.952% kept HA ASP- 44 - HB2 PHE 60 9.091% * 20.5660% (1.00 0.41 0.60) = 20.566% kept HB THR 77 - HB2 PHE 60 9.091% * 14.6653% (0.97 0.30 0.02) = 14.665% kept HA MET 11 - HB2 PHE 60 9.091% * 14.1467% (1.00 0.28 0.02) = 14.147% kept HA ILE 103 - HB2 PHE 60 9.091% * 13.7451% (0.89 0.30 0.02) = 13.745% kept HA THR 39 - HB2 PHE 60 9.091% * 9.5642% (0.35 0.53 0.53) = 9.564% kept HA ASP- 86 - HB2 PHE 60 9.091% * 3.6804% (0.35 0.20 0.02) = 3.680% kept HA ALA 12 - HB2 PHE 60 9.091% * 1.7009% (0.40 0.08 0.02) = 1.701% kept HA GLU- 79 - HB2 PHE 60 9.091% * 0.4482% (0.44 0.02 0.02) = 0.448% HA GLU- 14 - HB2 PHE 60 9.091% * 0.2827% (0.28 0.02 0.11) = 0.283% HA1 GLY 51 - HB2 PHE 60 9.091% * 0.2480% (0.24 0.02 0.02) = 0.248% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2733 (7.30, 3.40, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.678, support = 3.54, residual support = 60.3: O QD PHE 60 - HB2 PHE 60 25.000% * 99.8117% (0.68 10.0 3.55 60.43) = 99.812% kept HN LYS+ 81 - HB2 PHE 60 25.000% * 0.1451% (0.99 1.0 0.02 0.02) = 0.145% HN LYS+ 66 - HB2 PHE 60 25.000% * 0.0233% (0.16 1.0 0.02 0.72) = 0.023% HE3 TRP 27 - HB2 PHE 60 25.000% * 0.0199% (0.14 1.0 0.02 0.02) = 0.020% Peak 2734 (7.74, 3.40, 40.02 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 2.37, residual support = 9.4: HN THR 39 - HB2 PHE 60 14.286% * 39.7558% (0.89 1.50 0.53) = 39.756% kept HN ALA 61 - HB2 PHE 60 14.286% * 34.0171% (0.24 4.70 26.75) = 34.017% kept HD1 TRP 87 - HB2 PHE 60 14.286% * 19.5389% (0.85 0.77 0.44) = 19.539% kept HN GLU- 36 - HB2 PHE 60 14.286% * 5.5370% (0.40 0.47 0.02) = 5.537% kept HN LYS+ 102 - HB2 PHE 60 14.286% * 0.5326% (0.21 0.08 0.02) = 0.533% HN TRP 27 - HB2 PHE 60 14.286% * 0.4315% (0.73 0.02 0.02) = 0.432% HN ALA 91 - HB2 PHE 60 14.286% * 0.1872% (0.31 0.02 0.02) = 0.187% Peak 2735 (8.20, 3.40, 40.02 ppm): 3 chemical-shift based assignments, quality = 0.572, support = 3.97, residual support = 50.1: O HN PHE 60 - HB2 PHE 60 33.333% * 82.2658% (0.49 10.0 4.36 60.43) = 82.266% kept HN GLU- 15 - HB2 PHE 60 33.333% * 17.6930% (0.97 1.0 2.15 2.19) = 17.693% kept HN THR 118 - HB2 PHE 60 33.333% * 0.0412% (0.24 1.0 0.02 0.10) = 0.041% Peak 2736 (0.58, 3.92, 62.21 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 1.59, residual support = 2.87: QD1 LEU 63 - HA PHE 60 16.667% * 53.2904% (1.00 2.18 3.87) = 53.290% kept QD1 LEU 73 - HA PHE 60 16.667% * 17.0545% (1.00 0.70 0.93) = 17.054% kept QD2 LEU 63 - HA PHE 60 16.667% * 16.5851% (0.44 1.54 3.87) = 16.585% kept QD2 LEU 115 - HA PHE 60 16.667% * 9.7316% (0.77 0.52 0.02) = 9.732% kept QD1 LEU 104 - HA PHE 60 16.667% * 1.8840% (0.44 0.17 0.02) = 1.884% kept QD2 LEU 80 - HA PHE 60 16.667% * 1.4544% (0.73 0.08 0.02) = 1.454% kept Peak 2737 (1.35, 3.92, 62.21 ppm): 11 chemical-shift based assignments, quality = 0.881, support = 1.38, residual support = 3.78: T HB2 LEU 63 - HA PHE 60 9.091% * 97.5971% (0.89 10.00 1.41 3.87) = 97.597% kept HB3 LEU 80 - HA PHE 60 9.091% * 1.4645% (0.77 1.00 0.24 0.02) = 1.464% kept QB ALA 124 - HA PHE 60 9.091% * 0.1545% (1.00 1.00 0.02 0.02) = 0.155% HB3 ASP- 44 - HA PHE 60 9.091% * 0.1506% (0.97 1.00 0.02 0.60) = 0.151% HG LEU 98 - HA PHE 60 9.091% * 0.1473% (0.95 1.00 0.02 0.02) = 0.147% QB ALA 84 - HA PHE 60 9.091% * 0.1325% (0.85 1.00 0.02 0.02) = 0.133% HB3 PRO 93 - HA PHE 60 9.091% * 0.1263% (0.81 1.00 0.02 0.02) = 0.126% HB2 LEU 31 - HA PHE 60 9.091% * 0.0903% (0.58 1.00 0.02 0.02) = 0.090% HG2 LYS+ 111 - HA PHE 60 9.091% * 0.0755% (0.49 1.00 0.02 0.02) = 0.075% HG2 LYS+ 99 - HA PHE 60 9.091% * 0.0329% (0.21 1.00 0.02 0.02) = 0.033% HG3 LYS+ 106 - HA PHE 60 9.091% * 0.0285% (0.18 1.00 0.02 0.02) = 0.029% Peak 2739 (0.77, 3.74, 54.57 ppm): 6 chemical-shift based assignments, quality = 0.573, support = 0.699, residual support = 0.699: T QG1 VAL 41 - HA ALA 61 16.667% * 64.7511% (0.68 10.00 0.70 0.76) = 64.751% kept T QG2 VAL 18 - HA ALA 61 16.667% * 20.9893% (0.21 10.00 0.73 0.82) = 20.989% kept QD1 ILE 56 - HA ALA 61 16.667% * 6.7419% (0.49 1.00 1.02 0.42) = 6.742% kept HG LEU 31 - HA ALA 61 16.667% * 3.4342% (0.95 1.00 0.27 0.02) = 3.434% kept QG1 VAL 43 - HA ALA 61 16.667% * 2.5843% (0.44 1.00 0.43 0.11) = 2.584% kept QD2 LEU 73 - HA ALA 61 16.667% * 1.4992% (0.81 1.00 0.14 0.02) = 1.499% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2740 (0.42, 3.74, 54.57 ppm): 3 chemical-shift based assignments, quality = 0.212, support = 2.27, residual support = 5.2: T QB ALA 64 - HA ALA 61 33.333% * 99.6789% (0.21 10.00 2.28 5.22) = 99.679% kept QD1 LEU 115 - HA ALA 61 33.333% * 0.2068% (0.44 1.00 0.02 0.02) = 0.207% QG1 VAL 75 - HA ALA 61 33.333% * 0.1144% (0.24 1.00 0.02 0.02) = 0.114% Peak 2741 (6.47, 3.74, 54.57 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 0.75, residual support = 5.22: HN ALA 64 - HA ALA 61 100.000% *100.0000% (0.77 0.75 5.22) = 100.000% kept Peak 2742 (7.74, 3.74, 54.57 ppm): 7 chemical-shift based assignments, quality = 0.292, support = 2.26, residual support = 12.6: O HN ALA 61 - HA ALA 61 14.286% * 90.6420% (0.24 10.0 2.47 13.89) = 90.642% kept HD1 TRP 87 - HA ALA 61 14.286% * 4.2548% (0.85 1.0 0.27 0.21) = 4.255% kept HN THR 39 - HA ALA 61 14.286% * 3.8487% (0.89 1.0 0.23 0.02) = 3.849% kept HN GLU- 36 - HA ALA 61 14.286% * 0.7885% (0.40 1.0 0.11 0.02) = 0.788% HN TRP 27 - HA ALA 61 14.286% * 0.2699% (0.73 1.0 0.02 0.02) = 0.270% HN ALA 91 - HA ALA 61 14.286% * 0.1171% (0.31 1.0 0.02 0.02) = 0.117% HN LYS+ 102 - HA ALA 61 14.286% * 0.0790% (0.21 1.0 0.02 0.02) = 0.079% Peak 2743 (7.27, 2.97, 40.02 ppm): 5 chemical-shift based assignments, quality = 0.611, support = 3.31, residual support = 53.7: O QD PHE 60 - HB3 PHE 60 20.000% * 86.7897% (0.63 10.0 3.46 60.43) = 86.790% kept QE PHE 59 - HB3 PHE 60 20.000% * 7.3132% (0.53 1.0 1.99 11.08) = 7.313% kept HN PHE 59 - HB3 PHE 60 20.000% * 4.0811% (0.16 1.0 3.75 11.08) = 4.081% kept HN LYS+ 66 - HB3 PHE 60 20.000% * 1.7825% (1.00 1.0 0.26 0.72) = 1.782% kept HN LYS+ 81 - HB3 PHE 60 20.000% * 0.0336% (0.24 1.0 0.02 0.02) = 0.034% Peak 2744 (8.21, 2.97, 40.02 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 1.36, residual support = 2.19: HN GLU- 15 - HB3 PHE 60 100.000% *100.0000% (0.77 1.36 2.19) = 100.000% kept Peak 2745 (7.75, 2.97, 40.02 ppm): 5 chemical-shift based assignments, quality = 0.904, support = 0.538, residual support = 0.463: HD1 TRP 87 - HB3 PHE 60 20.000% * 56.7218% (0.92 0.63 0.44) = 56.722% kept HN THR 39 - HB3 PHE 60 20.000% * 39.6415% (0.89 0.46 0.53) = 39.642% kept HN GLU- 36 - HB3 PHE 60 20.000% * 1.8031% (0.92 0.02 0.02) = 1.803% kept HN LYS+ 102 - HB3 PHE 60 20.000% * 1.4184% (0.73 0.02 0.02) = 1.418% kept HN TRP 27 - HB3 PHE 60 20.000% * 0.4151% (0.21 0.02 0.02) = 0.415% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2746 (4.12, 1.35, 18.25 ppm): 9 chemical-shift based assignments, quality = 0.734, support = 0.338, residual support = 0.023: T HA ASN 28 - QB ALA 84 11.111% * 41.9814% (0.85 10.00 0.35 0.02) = 41.981% kept T HA ALA 124 - QB ALA 84 11.111% * 35.5270% (0.65 10.00 0.39 0.02) = 35.527% kept T HA ALA 34 - QB ALA 84 11.111% * 12.3395% (0.65 10.00 0.13 0.02) = 12.340% kept HA ARG+ 54 - QB ALA 84 11.111% * 4.3567% (0.77 1.00 0.39 0.02) = 4.357% kept HA LEU 115 - QB ALA 84 11.111% * 4.1426% (0.81 1.00 0.36 0.02) = 4.143% kept HA LYS+ 81 - QB ALA 84 11.111% * 1.4211% (0.20 1.00 0.49 0.24) = 1.421% kept HA1 GLY 101 - QB ALA 84 11.111% * 0.1196% (0.42 1.00 0.02 0.02) = 0.120% HA GLU- 114 - QB ALA 84 11.111% * 0.0754% (0.26 1.00 0.02 0.02) = 0.075% HA GLU- 36 - QB ALA 84 11.111% * 0.0367% (0.13 1.00 0.02 0.02) = 0.037% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2747 (4.31, 1.35, 18.25 ppm): 5 chemical-shift based assignments, quality = 0.727, support = 0.252, residual support = 0.156: HA ASP- 86 - QB ALA 84 20.000% * 75.2113% (0.77 0.31 0.20) = 75.211% kept HA TRP 87 - QB ALA 84 20.000% * 9.0995% (0.15 0.19 0.02) = 9.099% kept HA LEU 104 - QB ALA 84 20.000% * 5.7047% (0.90 0.02 0.02) = 5.705% kept HA GLU- 14 - QB ALA 84 20.000% * 5.3511% (0.85 0.02 0.02) = 5.351% kept HA ALA 12 - QB ALA 84 20.000% * 4.6334% (0.73 0.02 0.02) = 4.633% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2748 (7.60, 1.35, 18.25 ppm): 6 chemical-shift based assignments, quality = 0.303, support = 2.86, residual support = 9.58: O HN ALA 84 - QB ALA 84 16.667% * 72.1395% (0.17 10.0 3.59 13.24) = 72.139% kept HN LEU 63 - QB ALA 84 16.667% * 17.7496% (0.69 1.0 1.25 0.11) = 17.750% kept HN ILE 56 - QB ALA 84 16.667% * 7.3363% (0.55 1.0 0.64 0.02) = 7.336% kept HZ2 TRP 87 - QB ALA 84 16.667% * 2.3673% (0.60 1.0 0.19 0.02) = 2.367% kept HD21 ASN 28 - QB ALA 84 16.667% * 0.3352% (0.81 1.0 0.02 0.02) = 0.335% HN LYS+ 111 - QB ALA 84 16.667% * 0.0721% (0.17 1.0 0.02 0.02) = 0.072% Peak 2750 (8.06, 1.35, 18.25 ppm): 4 chemical-shift based assignments, quality = 0.665, support = 3.13, residual support = 13.6: HN SER 85 - QB ALA 84 25.000% * 86.9614% (0.69 3.51 15.67) = 86.961% kept HN ALA 34 - QB ALA 84 25.000% * 8.3410% (0.26 0.88 0.02) = 8.341% kept HN GLN 32 - QB ALA 84 25.000% * 4.5720% (0.95 0.13 0.02) = 4.572% kept HN LEU 80 - QB ALA 84 25.000% * 0.1256% (0.17 0.02 0.02) = 0.126% Peak 2751 (7.46, 1.48, 18.41 ppm): 3 chemical-shift based assignments, quality = 0.681, support = 1.36, residual support = 4.81: HN LEU 123 - QB ALA 120 33.333% * 41.4411% (0.91 1.18 10.02) = 41.441% kept HE21 GLN 17 - QB ALA 120 33.333% * 30.0292% (0.58 1.34 0.60) = 30.029% kept HN ALA 124 - QB ALA 120 33.333% * 28.5297% (0.45 1.65 1.68) = 28.530% kept Peak 2752 (4.25, 1.48, 18.41 ppm): 5 chemical-shift based assignments, quality = 0.439, support = 1.22, residual support = 2.23: T HA SER 117 - QB ALA 120 20.000% * 91.8785% (0.41 10.00 1.28 2.25) = 91.878% kept HA ALA 57 - QB ALA 120 20.000% * 7.6731% (0.85 1.00 0.51 2.04) = 7.673% kept HA1 GLY 51 - QB ALA 120 20.000% * 0.1895% (0.54 1.00 0.02 0.02) = 0.190% HA THR 39 - QB ALA 120 20.000% * 0.1435% (0.41 1.00 0.02 0.02) = 0.143% HA GLU- 79 - QB ALA 120 20.000% * 0.1154% (0.33 1.00 0.02 0.02) = 0.115% Peak 2753 (7.73, 1.43, 17.92 ppm): 12 chemical-shift based assignments, quality = 0.945, support = 3.14, residual support = 13.8: O HN ALA 61 - QB ALA 61 8.333% * 99.4239% (0.95 10.0 3.16 13.89) = 99.424% kept HN ALA 91 - QB ALA 61 8.333% * 0.1033% (0.99 1.0 0.02 0.02) = 0.103% HN TRP 27 - QB ALA 61 8.333% * 0.0895% (0.85 1.0 0.02 0.02) = 0.089% HN ALA 91 - QB ALA 110 8.333% * 0.0738% (0.71 1.0 0.02 0.02) = 0.074% HN ALA 61 - QB ALA 110 8.333% * 0.0710% (0.68 1.0 0.02 0.02) = 0.071% HE3 TRP 87 - QB ALA 61 8.333% * 0.0660% (0.63 1.0 0.02 0.21) = 0.066% HN TRP 27 - QB ALA 110 8.333% * 0.0639% (0.61 1.0 0.02 0.02) = 0.064% HE3 TRP 87 - QB ALA 110 8.333% * 0.0472% (0.45 1.0 0.02 0.02) = 0.047% HN THR 39 - QB ALA 61 8.333% * 0.0193% (0.18 1.0 0.02 0.02) = 0.019% HD1 TRP 87 - QB ALA 61 8.333% * 0.0166% (0.16 1.0 0.02 0.21) = 0.017% HN THR 39 - QB ALA 110 8.333% * 0.0138% (0.13 1.0 0.02 0.02) = 0.014% HD1 TRP 87 - QB ALA 110 8.333% * 0.0118% (0.11 1.0 0.02 0.02) = 0.012% Peak 2754 (8.76, 1.42, 18.06 ppm): 8 chemical-shift based assignments, quality = 0.813, support = 2.17, residual support = 6.69: O HN ALA 110 - QB ALA 110 12.500% * 99.7448% (0.81 10.0 2.18 6.71) = 99.745% kept HN ALA 110 - QB ALA 61 12.500% * 0.0713% (0.58 1.0 0.02 0.02) = 0.071% HN PHE 45 - QB ALA 110 12.500% * 0.0654% (0.53 1.0 0.02 0.16) = 0.065% HN PHE 45 - QB ALA 61 12.500% * 0.0467% (0.38 1.0 0.02 0.02) = 0.047% HN GLU- 25 - QB ALA 110 12.500% * 0.0225% (0.18 1.0 0.02 0.02) = 0.023% HN ASP- 44 - QB ALA 110 12.500% * 0.0194% (0.16 1.0 0.02 0.02) = 0.019% HN GLU- 25 - QB ALA 61 12.500% * 0.0161% (0.13 1.0 0.02 0.02) = 0.016% HN ASP- 44 - QB ALA 61 12.500% * 0.0138% (0.11 1.0 0.02 0.12) = 0.014% Peak 2755 (7.86, 1.43, 17.92 ppm): 10 chemical-shift based assignments, quality = 0.924, support = 2.43, residual support = 4.51: HN ASP- 62 - QB ALA 61 10.000% * 87.1809% (1.00 2.76 5.16) = 87.181% kept HN ARG+ 54 - QB ALA 110 10.000% * 4.5169% (0.58 0.24 0.02) = 4.517% kept HN ASP- 62 - QB ALA 110 10.000% * 2.6236% (0.71 0.12 0.02) = 2.624% kept HN PHE 55 - QB ALA 110 10.000% * 2.3663% (0.23 0.33 0.43) = 2.366% kept HN PHE 55 - QB ALA 61 10.000% * 1.4361% (0.31 0.14 0.02) = 1.436% kept HN LEU 31 - QB ALA 61 10.000% * 0.6165% (0.97 0.02 0.02) = 0.616% HN ARG+ 54 - QB ALA 61 10.000% * 0.5170% (0.81 0.02 0.02) = 0.517% HN LEU 31 - QB ALA 110 10.000% * 0.4404% (0.69 0.02 0.02) = 0.440% HN LYS+ 38 - QB ALA 61 10.000% * 0.1764% (0.28 0.02 0.02) = 0.176% HN LYS+ 38 - QB ALA 110 10.000% * 0.1260% (0.20 0.02 0.02) = 0.126% Peak 2756 (4.32, 2.65, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.714, support = 0.638, residual support = 0.33: HA LEU 104 - HB2 ASP- 62 20.000% * 37.9123% (1.00 0.70 0.49) = 37.912% kept HA ASP- 86 - HB2 ASP- 62 20.000% * 22.9014% (0.58 0.73 0.48) = 22.901% kept HA GLU- 14 - HB2 ASP- 62 20.000% * 15.7114% (0.68 0.43 0.02) = 15.711% kept HA TRP 87 - HB2 ASP- 62 20.000% * 13.1518% (0.31 0.77 0.21) = 13.152% kept HA ALA 12 - HB2 ASP- 62 20.000% * 10.3231% (0.53 0.36 0.02) = 10.323% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2757 (4.32, 2.45, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.608, support = 0.698, residual support = 0.433: T HA ASP- 86 - HB3 ASP- 62 20.000% * 74.8136% (0.57 10.00 0.73 0.48) = 74.814% kept HA LEU 104 - HB3 ASP- 62 20.000% * 12.3851% (0.97 1.00 0.70 0.49) = 12.385% kept HA GLU- 14 - HB3 ASP- 62 20.000% * 5.1326% (0.66 1.00 0.43 0.02) = 5.133% kept HA TRP 87 - HB3 ASP- 62 20.000% * 4.2964% (0.31 1.00 0.77 0.21) = 4.296% kept HA ALA 12 - HB3 ASP- 62 20.000% * 3.3723% (0.52 1.00 0.36 0.02) = 3.372% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2758 (6.93, 4.22, 57.45 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2759 (7.86, 4.22, 57.45 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 3.7, residual support = 39.2: O HN ASP- 62 - HA ASP- 62 20.000% * 99.4509% (1.00 10.0 3.72 39.43) = 99.451% kept HN LEU 31 - HA ASP- 62 20.000% * 0.4086% (0.97 1.0 0.08 0.02) = 0.409% HN ARG+ 54 - HA ASP- 62 20.000% * 0.0813% (0.81 1.0 0.02 0.02) = 0.081% HN PHE 55 - HA ASP- 62 20.000% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HN LYS+ 38 - HA ASP- 62 20.000% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% Peak 2760 (7.60, 2.65, 41.28 ppm): 6 chemical-shift based assignments, quality = 0.86, support = 3.87, residual support = 23.9: HN LEU 63 - HB2 ASP- 62 16.667% * 73.2256% (0.95 5.00 32.45) = 73.226% kept HN ILE 56 - HB2 ASP- 62 16.667% * 12.0363% (0.85 0.91 0.64) = 12.036% kept HN LYS+ 111 - HB2 ASP- 62 16.667% * 5.2037% (0.40 0.85 0.19) = 5.204% kept HZ2 TRP 87 - HB2 ASP- 62 16.667% * 4.1125% (0.35 0.75 0.21) = 4.112% kept HN ALA 84 - HB2 ASP- 62 16.667% * 2.7253% (0.40 0.45 0.11) = 2.725% kept HD21 ASN 28 - HB2 ASP- 62 16.667% * 2.6967% (0.58 0.30 0.02) = 2.697% kept Peak 2761 (7.87, 2.65, 41.28 ppm): 4 chemical-shift based assignments, quality = 0.58, support = 3.7, residual support = 39.3: O HN ASP- 62 - HB2 ASP- 62 25.000% * 99.6148% (0.58 10.0 3.72 39.43) = 99.615% kept HN ARG+ 54 - HB2 ASP- 62 25.000% * 0.1625% (0.95 1.0 0.02 0.02) = 0.163% HN LYS+ 38 - HB2 ASP- 62 25.000% * 0.1394% (0.81 1.0 0.02 0.02) = 0.139% HN LEU 31 - HB2 ASP- 62 25.000% * 0.0833% (0.49 1.0 0.02 0.02) = 0.083% Peak 2762 (7.60, 2.45, 41.28 ppm): 6 chemical-shift based assignments, quality = 0.793, support = 3.7, residual support = 21.6: HN LEU 63 - HB3 ASP- 62 16.667% * 66.1053% (0.92 5.00 32.45) = 66.105% kept HN ILE 56 - HB3 ASP- 62 16.667% * 11.0979% (0.83 0.93 0.64) = 11.098% kept HN LYS+ 111 - HB3 ASP- 62 16.667% * 9.6340% (0.39 1.75 0.19) = 9.634% kept HN ALA 84 - HB3 ASP- 62 16.667% * 7.0158% (0.39 1.27 0.11) = 7.016% kept HZ2 TRP 87 - HB3 ASP- 62 16.667% * 3.7126% (0.34 0.75 0.21) = 3.713% kept HD21 ASN 28 - HB3 ASP- 62 16.667% * 2.4344% (0.57 0.30 0.02) = 2.434% kept Peak 2763 (7.86, 2.45, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.963, support = 3.7, residual support = 39.2: O HN ASP- 62 - HB3 ASP- 62 20.000% * 99.4509% (0.97 10.0 3.72 39.43) = 99.451% kept HN LEU 31 - HB3 ASP- 62 20.000% * 0.4086% (0.94 1.0 0.08 0.02) = 0.409% HN ARG+ 54 - HB3 ASP- 62 20.000% * 0.0813% (0.79 1.0 0.02 0.02) = 0.081% HN PHE 55 - HB3 ASP- 62 20.000% * 0.0314% (0.31 1.0 0.02 0.02) = 0.031% HN LYS+ 38 - HB3 ASP- 62 20.000% * 0.0277% (0.27 1.0 0.02 0.02) = 0.028% Peak 2764 (1.82, 3.50, 57.67 ppm): 9 chemical-shift based assignments, quality = 0.744, support = 1.55, residual support = 1.85: QB LYS+ 66 - HA LEU 63 11.111% * 37.3810% (1.00 1.48 3.63) = 37.381% kept QB LYS+ 65 - HA LEU 63 11.111% * 30.1289% (0.44 2.71 1.42) = 30.129% kept HG2 PRO 93 - HA LEU 63 11.111% * 15.9035% (0.85 0.74 0.32) = 15.903% kept HG12 ILE 103 - HA LEU 63 11.111% * 10.4324% (0.77 0.54 0.02) = 10.432% kept HB2 LEU 71 - HA LEU 63 11.111% * 3.2638% (0.40 0.33 0.02) = 3.264% kept HB3 PRO 52 - HA LEU 63 11.111% * 1.9069% (0.44 0.17 0.46) = 1.907% kept HB VAL 41 - HA LEU 63 11.111% * 0.4665% (0.92 0.02 0.02) = 0.467% QB LYS+ 102 - HA LEU 63 11.111% * 0.2943% (0.58 0.02 0.02) = 0.294% HG LEU 123 - HA LEU 63 11.111% * 0.2228% (0.44 0.02 0.02) = 0.223% Peak 2765 (7.29, 3.50, 57.67 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 1.3, residual support = 2.87: HN LYS+ 81 - HA LEU 63 33.333% * 37.6762% (0.92 0.97 1.43) = 37.676% kept HN LYS+ 66 - HA LEU 63 33.333% * 35.4126% (0.40 2.13 3.63) = 35.413% kept QD PHE 60 - HA LEU 63 33.333% * 26.9113% (0.95 0.68 3.87) = 26.911% kept Peak 2766 (7.59, 3.50, 57.67 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 6.86, residual support = 186.4: O HN LEU 63 - HA LEU 63 14.286% * 94.5064% (1.00 10.0 7.22 197.16) = 94.506% kept HD21 ASN 28 - HA LEU 63 14.286% * 1.9081% (0.35 1.0 1.14 2.41) = 1.908% kept HN ILE 56 - HA LEU 63 14.286% * 1.3709% (0.99 1.0 0.29 0.02) = 1.371% kept HZ2 TRP 87 - HA LEU 63 14.286% * 1.3163% (0.18 1.0 1.51 1.59) = 1.316% kept HN LYS+ 111 - HA LEU 63 14.286% * 0.5781% (0.63 1.0 0.19 0.12) = 0.578% HN ALA 84 - HA LEU 63 14.286% * 0.3027% (0.63 1.0 0.10 0.11) = 0.303% HE21 GLN 32 - HA LEU 63 14.286% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% Peak 2767 (3.93, 1.34, 41.55 ppm): 7 chemical-shift based assignments, quality = 0.554, support = 1.22, residual support = 2.5: T HA PHE 60 - HB2 LEU 63 14.286% * 61.8524% (0.35 10.00 1.41 3.87) = 61.852% kept HA2 GLY 51 - HB2 LEU 63 14.286% * 14.1207% (0.95 1.00 1.20 0.47) = 14.121% kept HB THR 94 - HB2 LEU 63 14.286% * 9.9342% (0.81 1.00 0.99 0.14) = 9.934% kept QB SER 117 - HB2 LEU 63 14.286% * 8.2273% (0.97 1.00 0.69 0.30) = 8.227% kept HA LYS+ 121 - HB2 LEU 63 14.286% * 3.4161% (0.89 1.00 0.31 0.02) = 3.416% kept HA ALA 120 - HB2 LEU 63 14.286% * 2.2817% (0.40 1.00 0.47 0.02) = 2.282% kept QB SER 48 - HB2 LEU 63 14.286% * 0.1676% (0.68 1.00 0.02 0.02) = 0.168% Peak 2768 (6.48, 1.34, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 7.15, residual support = 45.2: HN ALA 64 - HB2 LEU 63 100.000% *100.0000% (0.44 7.15 45.19) = 100.000% kept Peak 2769 (6.99, 1.34, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.91, support = 1.98, residual support = 11.6: QE PHE 72 - HB2 LEU 63 33.333% * 88.9842% (0.99 2.13 12.77) = 88.984% kept HD22 ASN 28 - HB2 LEU 63 33.333% * 9.8924% (0.28 0.84 2.41) = 9.892% kept HN ALA 47 - HB2 LEU 63 33.333% * 1.1234% (0.31 0.08 0.02) = 1.123% kept Peak 2770 (7.59, 1.34, 41.55 ppm): 7 chemical-shift based assignments, quality = 0.954, support = 7.26, residual support = 179.9: O HN LEU 63 - HB2 LEU 63 14.286% * 91.1758% (1.00 10.0 7.86 197.16) = 91.176% kept HD21 ASN 28 - HB2 LEU 63 14.286% * 3.0310% (0.35 1.0 1.87 2.41) = 3.031% kept HN ILE 56 - HB2 LEU 63 14.286% * 2.4732% (0.99 1.0 0.55 0.02) = 2.473% kept HN LYS+ 111 - HB2 LEU 63 14.286% * 1.2309% (0.63 1.0 0.43 0.12) = 1.231% kept HZ2 TRP 87 - HB2 LEU 63 14.286% * 1.1935% (0.18 1.0 1.42 1.59) = 1.193% kept HN ALA 84 - HB2 LEU 63 14.286% * 0.8789% (0.63 1.0 0.30 0.11) = 0.879% HE21 GLN 32 - HB2 LEU 63 14.286% * 0.0168% (0.18 1.0 0.02 0.02) = 0.017% Peak 2771 (7.84, 1.34, 41.55 ppm): 5 chemical-shift based assignments, quality = 0.679, support = 4.03, residual support = 29.9: HN ASP- 62 - HB2 LEU 63 20.000% * 92.1067% (0.68 4.35 32.45) = 92.107% kept HN LEU 31 - HB2 LEU 63 20.000% * 7.0128% (0.77 0.29 0.02) = 7.013% kept HN PHE 55 - HB2 LEU 63 20.000% * 0.5335% (0.85 0.02 0.02) = 0.533% HN ARG+ 54 - HB2 LEU 63 20.000% * 0.1735% (0.28 0.02 0.02) = 0.174% HN ALA 88 - HB2 LEU 63 20.000% * 0.1735% (0.28 0.02 0.02) = 0.174% Peak 2772 (6.48, 0.88, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 6.56, residual support = 45.2: HN ALA 64 - HB3 LEU 63 100.000% *100.0000% (0.44 6.56 45.19) = 100.000% kept Peak 2773 (6.72, 0.88, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 2.65, residual support = 12.8: T HZ PHE 72 - HB3 LEU 63 100.000% *100.0000% (0.81 10.00 2.65 12.77) = 100.000% kept Peak 2774 (7.59, 0.88, 41.55 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 6.93, residual support = 186.4: O HN LEU 63 - HB3 LEU 63 14.286% * 94.5112% (1.00 10.0 7.29 197.16) = 94.511% kept HD21 ASN 28 - HB3 LEU 63 14.286% * 1.9044% (0.35 1.0 1.13 2.41) = 1.904% kept HN ILE 56 - HB3 LEU 63 14.286% * 1.3710% (0.99 1.0 0.29 0.02) = 1.371% kept HZ2 TRP 87 - HB3 LEU 63 14.286% * 1.3151% (0.18 1.0 1.51 1.59) = 1.315% kept HN LYS+ 111 - HB3 LEU 63 14.286% * 0.5782% (0.63 1.0 0.19 0.12) = 0.578% HN ALA 84 - HB3 LEU 63 14.286% * 0.3027% (0.63 1.0 0.10 0.11) = 0.303% HE21 GLN 32 - HB3 LEU 63 14.286% * 0.0174% (0.18 1.0 0.02 0.02) = 0.017% Peak 2775 (7.60, 1.06, 26.21 ppm): 6 chemical-shift based assignments, quality = 0.711, support = 5.36, residual support = 134.2: HN LEU 63 - HG LEU 63 16.667% * 67.7465% (0.68 7.29 197.16) = 67.746% kept HD21 ASN 28 - HG LEU 63 16.667% * 18.3963% (0.89 1.51 2.41) = 18.396% kept HZ2 TRP 87 - HG LEU 63 16.667% * 11.0788% (0.68 1.19 1.59) = 11.079% kept HN ILE 56 - HG LEU 63 16.667% * 2.1404% (0.53 0.29 0.02) = 2.140% kept HN LYS+ 111 - HG LEU 63 16.667% * 0.4188% (0.16 0.19 0.12) = 0.419% HN ALA 84 - HG LEU 63 16.667% * 0.2193% (0.16 0.10 0.11) = 0.219% Peak 2776 (3.94, 0.58, 26.34 ppm): 27 chemical-shift based assignments, quality = 0.715, support = 0.741, residual support = 0.235: QB SER 117 - QD1 LEU 63 3.704% * 18.5611% (0.49 1.48 0.30) = 18.561% kept HB THR 94 - QD1 LEU 63 3.704% * 18.0988% (0.95 0.74 0.14) = 18.099% kept HA LYS+ 121 - QD1 LEU 63 3.704% * 16.3608% (0.89 0.71 0.02) = 16.361% kept HA2 GLY 51 - QD1 LEU 63 3.704% * 15.9040% (0.81 0.76 0.47) = 15.904% kept QB SER 48 - QD1 LEU 63 3.704% * 7.5007% (1.00 0.29 0.02) = 7.501% kept QB SER 117 - QD1 LEU 73 3.704% * 6.1012% (0.49 0.49 0.02) = 6.101% kept HA LYS+ 65 - QD1 LEU 63 3.704% * 4.9971% (0.44 0.44 1.42) = 4.997% kept HB THR 94 - QD1 LEU 73 3.704% * 4.6699% (0.95 0.19 0.02) = 4.670% kept HB THR 94 - QD1 LEU 104 3.704% * 1.9014% (0.18 0.41 0.02) = 1.901% kept HA ALA 120 - QD1 LEU 104 3.704% * 1.7606% (0.18 0.39 0.02) = 1.761% kept QB SER 48 - QD1 LEU 73 3.704% * 0.5150% (1.00 0.02 0.02) = 0.515% HA ALA 120 - QD1 LEU 73 3.704% * 0.4769% (0.92 0.02 0.02) = 0.477% HA ALA 120 - QD1 LEU 63 3.704% * 0.4769% (0.92 0.02 0.02) = 0.477% HA LYS+ 121 - QD1 LEU 73 3.704% * 0.4604% (0.89 0.02 0.02) = 0.460% HA2 GLY 51 - QD1 LEU 73 3.704% * 0.4210% (0.81 0.02 0.02) = 0.421% QB SER 85 - QD1 LEU 63 3.704% * 0.2759% (0.53 0.02 0.02) = 0.276% HA2 GLY 16 - QD1 LEU 63 3.704% * 0.2759% (0.53 0.02 0.02) = 0.276% HA2 GLY 16 - QD1 LEU 73 3.704% * 0.2759% (0.53 0.02 0.02) = 0.276% QB SER 85 - QD1 LEU 73 3.704% * 0.2759% (0.53 0.02 0.02) = 0.276% HA LYS+ 65 - QD1 LEU 73 3.704% * 0.2277% (0.44 0.02 0.02) = 0.228% QB SER 48 - QD1 LEU 104 3.704% * 0.0981% (0.19 0.02 0.02) = 0.098% HA LYS+ 121 - QD1 LEU 104 3.704% * 0.0877% (0.17 0.02 0.02) = 0.088% HA2 GLY 51 - QD1 LEU 104 3.704% * 0.0802% (0.16 0.02 0.02) = 0.080% QB SER 85 - QD1 LEU 104 3.704% * 0.0526% (0.10 0.02 0.02) = 0.053% HA2 GLY 16 - QD1 LEU 104 3.704% * 0.0526% (0.10 0.02 0.02) = 0.053% QB SER 117 - QD1 LEU 104 3.704% * 0.0479% (0.09 0.02 0.02) = 0.048% HA LYS+ 65 - QD1 LEU 104 3.704% * 0.0434% (0.08 0.02 0.02) = 0.043% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2777 (6.37, 0.58, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.335, support = 1.42, residual support = 3.24: T HZ3 TRP 27 - QD1 LEU 63 16.667% * 64.1387% (0.35 10.00 1.75 3.87) = 64.139% kept T HZ3 TRP 27 - QD1 LEU 73 16.667% * 29.0212% (0.35 10.00 0.79 2.08) = 29.021% kept T HZ3 TRP 27 - QD1 LEU 104 16.667% * 6.5549% (0.07 10.00 0.94 2.42) = 6.555% kept HZ PHE 45 - QD1 LEU 73 16.667% * 0.1302% (0.63 1.00 0.02 0.24) = 0.130% HZ PHE 45 - QD1 LEU 63 16.667% * 0.1302% (0.63 1.00 0.02 0.02) = 0.130% HZ PHE 45 - QD1 LEU 104 16.667% * 0.0248% (0.12 1.00 0.02 0.02) = 0.025% Peak 2778 (7.28, 0.58, 26.34 ppm): 12 chemical-shift based assignments, quality = 0.705, support = 1.67, residual support = 2.2: QD PHE 60 - QD1 LEU 63 8.333% * 26.9498% (0.81 2.03 3.87) = 26.950% kept QD PHE 60 - QD1 LEU 73 8.333% * 25.1942% (0.81 1.90 0.93) = 25.194% kept HN LYS+ 66 - QD1 LEU 63 8.333% * 18.3628% (0.92 1.22 3.63) = 18.363% kept HN LYS+ 81 - QD1 LEU 63 8.333% * 12.2945% (0.40 1.90 1.43) = 12.294% kept HN LYS+ 81 - QD1 LEU 73 8.333% * 10.1276% (0.40 1.57 0.69) = 10.128% kept QE PHE 59 - QD1 LEU 63 8.333% * 3.2050% (0.35 0.55 0.02) = 3.205% kept QE PHE 59 - QD1 LEU 73 8.333% * 3.0191% (0.35 0.52 0.18) = 3.019% kept QD PHE 60 - QD1 LEU 104 8.333% * 0.4421% (0.16 0.17 0.02) = 0.442% HN LYS+ 66 - QD1 LEU 73 8.333% * 0.3010% (0.92 0.02 0.02) = 0.301% HN LYS+ 66 - QD1 LEU 104 8.333% * 0.0574% (0.18 0.02 0.02) = 0.057% HN LYS+ 81 - QD1 LEU 104 8.333% * 0.0246% (0.08 0.02 0.13) = 0.025% QE PHE 59 - QD1 LEU 104 8.333% * 0.0220% (0.07 0.02 0.15) = 0.022% Peak 2779 (7.60, 0.58, 26.34 ppm): 18 chemical-shift based assignments, quality = 0.726, support = 3.44, residual support = 81.3: HN LEU 63 - QD1 LEU 63 5.556% * 40.5362% (0.68 6.19 197.16) = 40.536% kept HD21 ASN 28 - QD1 LEU 63 5.556% * 18.2893% (0.89 2.13 2.41) = 18.289% kept HD21 ASN 28 - QD1 LEU 73 5.556% * 11.2124% (0.89 1.30 0.13) = 11.212% kept HZ2 TRP 87 - QD1 LEU 63 5.556% * 11.1015% (0.68 1.69 1.59) = 11.101% kept HN LEU 63 - QD1 LEU 73 5.556% * 9.9780% (0.68 1.52 7.26) = 9.978% kept HN ILE 56 - QD1 LEU 73 5.556% * 4.3268% (0.53 0.84 0.45) = 4.327% kept HZ2 TRP 87 - QD1 LEU 73 5.556% * 1.7007% (0.68 0.26 0.02) = 1.701% kept HN ILE 56 - QD1 LEU 63 5.556% * 1.5099% (0.53 0.29 0.02) = 1.510% kept HD21 ASN 28 - QD1 LEU 104 5.556% * 1.1417% (0.17 0.70 0.35) = 1.142% kept HN ALA 84 - QD1 LEU 73 5.556% * 0.0306% (0.16 0.02 0.02) = 0.031% HN LYS+ 111 - QD1 LEU 63 5.556% * 0.0306% (0.16 0.02 0.12) = 0.031% HN LYS+ 111 - QD1 LEU 73 5.556% * 0.0306% (0.16 0.02 0.13) = 0.031% HN ALA 84 - QD1 LEU 63 5.556% * 0.0306% (0.16 0.02 0.11) = 0.031% HZ2 TRP 87 - QD1 LEU 104 5.556% * 0.0250% (0.13 0.02 0.02) = 0.025% HN LEU 63 - QD1 LEU 104 5.556% * 0.0250% (0.13 0.02 0.02) = 0.025% HN ILE 56 - QD1 LEU 104 5.556% * 0.0196% (0.10 0.02 0.02) = 0.020% HN LYS+ 111 - QD1 LEU 104 5.556% * 0.0058% (0.03 0.02 0.02) = 0.006% HN ALA 84 - QD1 LEU 104 5.556% * 0.0058% (0.03 0.02 0.02) = 0.006% Peak 2782 (6.47, 2.84, 53.98 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 4.04, residual support = 19.8: O HN ALA 64 - HA ALA 64 100.000% *100.0000% (0.95 10.0 4.04 19.79) = 100.000% kept Peak 2783 (6.70, 2.84, 53.98 ppm): 3 chemical-shift based assignments, quality = 0.683, support = 3.14, residual support = 43.0: T QD PHE 72 - HA ALA 64 33.333% * 64.8643% (0.81 10.00 3.07 43.05) = 64.864% kept T HZ PHE 72 - HA ALA 64 33.333% * 35.0893% (0.44 10.00 3.29 43.05) = 35.089% kept QE PHE 45 - HA ALA 64 33.333% * 0.0464% (0.58 1.00 0.02 0.02) = 0.046% Peak 2785 (7.34, 2.84, 53.98 ppm): 7 chemical-shift based assignments, quality = 0.884, support = 0.835, residual support = 1.45: HN LEU 67 - HA ALA 64 14.286% * 40.5462% (0.81 1.08 1.33) = 40.546% kept QE PHE 95 - HA ALA 64 14.286% * 38.3785% (0.97 0.86 2.36) = 38.379% kept HN THR 23 - HA ALA 64 14.286% * 17.1849% (0.99 0.38 0.02) = 17.185% kept HE3 TRP 27 - HA ALA 64 14.286% * 1.8499% (0.44 0.09 0.02) = 1.850% kept HD2 HIS 22 - HA ALA 64 14.286% * 1.1834% (0.24 0.11 0.02) = 1.183% kept QD PHE 55 - HA ALA 64 14.286% * 0.4919% (0.53 0.02 0.02) = 0.492% HD1 TRP 49 - HA ALA 64 14.286% * 0.3653% (0.40 0.02 0.02) = 0.365% Peak 2786 (0.76, 0.40, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.581, support = 2.11, residual support = 4.75: QG2 VAL 18 - QB ALA 64 14.286% * 38.5879% (0.77 1.79 8.45) = 38.588% kept QD2 LEU 73 - QB ALA 64 14.286% * 27.7065% (0.24 4.06 5.27) = 27.706% kept QG2 THR 46 - QB ALA 64 14.286% * 20.4526% (0.63 1.16 0.13) = 20.453% kept QD1 ILE 19 - QB ALA 64 14.286% * 5.5648% (0.24 0.82 0.02) = 5.565% kept QG1 VAL 41 - QB ALA 64 14.286% * 3.7630% (0.99 0.14 0.02) = 3.763% kept QG1 VAL 43 - QB ALA 64 14.286% * 3.7033% (0.97 0.14 0.02) = 3.703% kept HG LEU 31 - QB ALA 64 14.286% * 0.2220% (0.40 0.02 0.02) = 0.222% Peak 2787 (1.44, 0.40, 18.57 ppm): 11 chemical-shift based assignments, quality = 0.861, support = 2.23, residual support = 4.86: HG LEU 73 - QB ALA 64 9.091% * 37.5294% (0.81 3.54 5.27) = 37.529% kept QG LYS+ 66 - QB ALA 64 9.091% * 23.5731% (0.97 1.87 8.07) = 23.573% kept HB3 LEU 67 - QB ALA 64 9.091% * 17.6168% (0.99 1.37 1.33) = 17.617% kept QB ALA 61 - QB ALA 64 9.091% * 13.8769% (0.89 1.20 5.22) = 13.877% kept HG12 ILE 19 - QB ALA 64 9.091% * 4.7896% (0.53 0.69 0.02) = 4.790% kept HG LEU 67 - QB ALA 64 9.091% * 1.9701% (0.16 0.96 1.33) = 1.970% kept HG2 LYS+ 102 - QB ALA 64 9.091% * 0.1766% (0.68 0.02 0.02) = 0.177% HG LEU 80 - QB ALA 64 9.091% * 0.1766% (0.68 0.02 0.02) = 0.177% QB ALA 110 - QB ALA 64 9.091% * 0.1641% (0.63 0.02 0.02) = 0.164% HB3 LEU 115 - QB ALA 64 9.091% * 0.0634% (0.24 0.02 0.02) = 0.063% HG LEU 40 - QB ALA 64 9.091% * 0.0634% (0.24 0.02 0.02) = 0.063% Peak 2788 (1.44, 2.84, 53.98 ppm): 11 chemical-shift based assignments, quality = 0.887, support = 1.6, residual support = 4.63: HB3 LEU 67 - HA ALA 64 9.091% * 30.5849% (0.99 1.77 1.33) = 30.585% kept QG LYS+ 66 - HA ALA 64 9.091% * 30.2503% (0.97 1.78 8.07) = 30.250% kept HG LEU 73 - HA ALA 64 9.091% * 24.8677% (0.81 1.74 5.27) = 24.868% kept QB ALA 61 - HA ALA 64 9.091% * 8.1931% (0.89 0.52 5.22) = 8.193% kept HG LEU 67 - HA ALA 64 9.091% * 3.2085% (0.16 1.16 1.33) = 3.209% kept HG12 ILE 19 - HA ALA 64 9.091% * 2.0274% (0.53 0.22 0.02) = 2.027% kept HG2 LYS+ 102 - HA ALA 64 9.091% * 0.2380% (0.68 0.02 0.02) = 0.238% HG LEU 80 - HA ALA 64 9.091% * 0.2380% (0.68 0.02 0.02) = 0.238% QB ALA 110 - HA ALA 64 9.091% * 0.2211% (0.63 0.02 0.02) = 0.221% HB3 LEU 115 - HA ALA 64 9.091% * 0.0855% (0.24 0.02 0.02) = 0.085% HG LEU 40 - HA ALA 64 9.091% * 0.0855% (0.24 0.02 0.02) = 0.085% Peak 2789 (2.28, 0.40, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.675, support = 3.5, residual support = 42.8: T HB3 PHE 72 - QB ALA 64 14.286% * 99.3911% (0.68 10.00 3.52 43.05) = 99.391% kept QG GLU- 15 - QB ALA 64 14.286% * 0.1351% (0.92 1.00 0.02 0.02) = 0.135% QB MET 11 - QB ALA 64 14.286% * 0.1251% (0.85 1.00 0.02 0.02) = 0.125% HB2 ASP- 44 - QB ALA 64 14.286% * 0.1193% (0.81 1.00 0.02 0.02) = 0.119% QG GLU- 14 - QB ALA 64 14.286% * 0.1130% (0.77 1.00 0.02 0.02) = 0.113% QG GLN 90 - QB ALA 64 14.286% * 0.0852% (0.58 1.00 0.02 0.02) = 0.085% HG12 ILE 119 - QB ALA 64 14.286% * 0.0311% (0.21 1.00 0.02 0.02) = 0.031% Peak 2790 (3.74, 0.40, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.985, support = 2.21, residual support = 4.97: T HA ALA 61 - QB ALA 64 33.333% * 95.0473% (1.00 10.00 2.28 5.22) = 95.047% kept HD2 PRO 68 - QB ALA 64 33.333% * 3.7297% (0.89 1.00 0.88 0.40) = 3.730% kept HD3 PRO 58 - QB ALA 64 33.333% * 1.2230% (0.35 1.00 0.72 0.02) = 1.223% kept Peak 2791 (3.99, 0.40, 18.57 ppm): 10 chemical-shift based assignments, quality = 0.817, support = 2.82, residual support = 7.59: HA VAL 18 - QB ALA 64 10.000% * 89.7131% (0.85 3.13 8.45) = 89.713% kept HA SER 48 - QB ALA 64 10.000% * 3.1755% (0.92 0.10 0.02) = 3.176% kept HA LYS+ 33 - QB ALA 64 10.000% * 2.0269% (0.63 0.10 0.02) = 2.027% kept HD2 PRO 52 - QB ALA 64 10.000% * 1.9491% (0.40 0.15 0.02) = 1.949% kept HA GLN 116 - QB ALA 64 10.000% * 0.9078% (0.28 0.10 0.02) = 0.908% HB2 SER 82 - QB ALA 64 10.000% * 0.6183% (0.92 0.02 0.02) = 0.618% HA GLU- 29 - QB ALA 64 10.000% * 0.5458% (0.81 0.02 0.02) = 0.546% HA ALA 88 - QB ALA 64 10.000% * 0.4548% (0.68 0.02 0.02) = 0.455% HA GLN 32 - QB ALA 64 10.000% * 0.4225% (0.63 0.02 0.02) = 0.423% HA VAL 70 - QB ALA 64 10.000% * 0.1862% (0.28 0.02 0.02) = 0.186% Peak 2792 (4.44, 0.40, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.348, support = 1.07, residual support = 1.57: T HA GLN 17 - QB ALA 64 14.286% * 96.4958% (0.35 10.00 1.10 1.62) = 96.496% kept HA THR 46 - QB ALA 64 14.286% * 2.2692% (0.28 1.00 0.33 0.13) = 2.269% kept HA VAL 42 - QB ALA 64 14.286% * 0.4787% (0.97 1.00 0.02 0.02) = 0.479% HA PHE 55 - QB ALA 64 14.286% * 0.2869% (0.58 1.00 0.02 0.02) = 0.287% HA GLN 90 - QB ALA 64 14.286% * 0.1747% (0.35 1.00 0.02 0.02) = 0.175% HA SER 37 - QB ALA 64 14.286% * 0.1747% (0.35 1.00 0.02 0.02) = 0.175% HA ALA 110 - QB ALA 64 14.286% * 0.1201% (0.24 1.00 0.02 0.02) = 0.120% Peak 2793 (8.27, 0.40, 18.57 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 2.41, residual support = 8.44: HN VAL 18 - QB ALA 64 50.000% * 99.8686% (1.00 2.41 8.45) = 99.869% kept HN SER 13 - QB ALA 64 50.000% * 0.1314% (0.16 0.02 0.02) = 0.131% Peak 2795 (6.70, 0.40, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.767, support = 5.71, residual support = 43.0: T QD PHE 72 - QB ALA 64 33.333% * 87.3688% (0.81 10.00 5.77 43.05) = 87.369% kept HZ PHE 72 - QB ALA 64 33.333% * 12.5688% (0.44 1.00 5.32 43.05) = 12.569% kept QE PHE 45 - QB ALA 64 33.333% * 0.0624% (0.58 1.00 0.02 0.02) = 0.062% Peak 2796 (6.48, 0.40, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 4.04, residual support = 19.8: O HN ALA 64 - QB ALA 64 100.000% *100.0000% (0.44 10.0 4.04 19.79) = 100.000% kept Peak 2797 (6.92, 3.96, 58.29 ppm): 2 chemical-shift based assignments, quality = 0.605, support = 4.58, residual support = 109.7: O HN LYS+ 65 - HA LYS+ 65 50.000% * 99.9909% (0.61 10.0 4.58 109.67) = 99.991% kept HN LYS+ 65 - HA LYS+ 121 50.000% * 0.0091% (0.06 1.0 0.02 0.02) = 0.009% Peak 2798 (8.65, 3.96, 58.29 ppm): 6 chemical-shift based assignments, quality = 0.586, support = 0.0267, residual support = 0.02: HN GLY 16 - HA LYS+ 65 16.667% * 34.9547% (0.82 0.02 0.02) = 34.955% kept HN SER 117 - HA LYS+ 65 16.667% * 25.7093% (0.61 0.02 0.02) = 25.709% kept HN SER 82 - HA LYS+ 65 16.667% * 23.8851% (0.56 0.02 0.02) = 23.885% kept HN SER 117 - HA LYS+ 121 16.667% * 10.0959% (0.06 0.09 0.02) = 10.096% kept HN GLY 16 - HA LYS+ 121 16.667% * 3.1812% (0.07 0.02 0.02) = 3.181% kept HN SER 82 - HA LYS+ 121 16.667% * 2.1738% (0.05 0.02 0.02) = 2.174% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2799 (6.93, 0.40, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.184, support = 4.26, residual support = 24.2: HN LYS+ 65 - QB ALA 64 100.000% *100.0000% (0.18 4.26 24.22) = 100.000% kept Peak 2800 (6.97, 2.84, 53.98 ppm): 2 chemical-shift based assignments, quality = 0.56, support = 3.7, residual support = 39.1: QE PHE 72 - HA ALA 64 50.000% * 90.8994% (0.53 4.04 43.05) = 90.899% kept HD22 ASN 28 - HA ALA 64 50.000% * 9.1006% (0.81 0.27 0.02) = 9.101% kept Peak 2801 (4.21, 1.80, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.646, support = 1.22, residual support = 1.16: HA ASP- 62 - QB LYS+ 65 33.333% * 66.4745% (0.73 1.54 1.66) = 66.475% kept HB THR 26 - QB LYS+ 65 33.333% * 16.9492% (0.44 0.64 0.35) = 16.949% kept HA SER 82 - QB LYS+ 65 33.333% * 16.5762% (0.53 0.52 0.02) = 16.576% kept Peak 2802 (6.92, 1.80, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 5.21, residual support = 109.7: O HN LYS+ 65 - QB LYS+ 65 100.000% *100.0000% (0.68 10.0 5.21 109.67) = 100.000% kept Peak 2803 (7.29, 1.80, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.604, support = 3.72, residual support = 18.1: HN LYS+ 66 - QB LYS+ 65 33.333% * 61.7440% (0.40 5.55 29.03) = 61.744% kept QD PHE 60 - QB LYS+ 65 33.333% * 23.4785% (0.95 0.88 0.52) = 23.478% kept HN LYS+ 81 - QB LYS+ 65 33.333% * 14.7775% (0.92 0.57 0.24) = 14.778% kept Peak 2804 (6.93, 1.50, 25.13 ppm): 1 chemical-shift based assignment, quality = 0.184, support = 4.56, residual support = 109.7: HN LYS+ 65 - HG2 LYS+ 65 100.000% *100.0000% (0.18 4.56 109.67) = 100.000% kept Peak 2805 (3.97, 1.38, 25.13 ppm): 36 chemical-shift based assignments, quality = 0.68, support = 3.82, residual support = 65.4: O T HA LYS+ 65 - HG3 LYS+ 65 2.778% * 54.4406% (0.81 10.0 10.00 4.66 109.67) = 54.441% kept T HA GLN 32 - HG3 LYS+ 33 2.778% * 33.4649% (0.50 1.0 10.00 3.70 16.64) = 33.465% kept T HA LYS+ 65 - HG3 LYS+ 33 2.778% * 9.8627% (0.70 1.0 10.00 0.42 1.01) = 9.863% kept T HA LYS+ 65 - HG3 LYS+ 102 2.778% * 0.4392% (0.66 1.0 10.00 0.02 0.02) = 0.439% T HA GLN 32 - HG3 LYS+ 65 2.778% * 0.3890% (0.58 1.0 10.00 0.02 0.02) = 0.389% T HA GLN 32 - HG3 LYS+ 102 2.778% * 0.3138% (0.47 1.0 10.00 0.02 0.02) = 0.314% T HA LYS+ 65 - HG3 LYS+ 106 2.778% * 0.2146% (0.32 1.0 10.00 0.02 0.02) = 0.215% T HA GLN 32 - HG3 LYS+ 106 2.778% * 0.1534% (0.23 1.0 10.00 0.02 0.02) = 0.153% HD2 PRO 52 - HG3 LYS+ 65 2.778% * 0.0544% (0.81 1.0 1.00 0.02 0.02) = 0.054% HA2 GLY 16 - HG3 LYS+ 65 2.778% * 0.0485% (0.73 1.0 1.00 0.02 0.02) = 0.049% QB SER 85 - HG3 LYS+ 65 2.778% * 0.0485% (0.73 1.0 1.00 0.02 0.02) = 0.049% HD2 PRO 52 - HG3 LYS+ 33 2.778% * 0.0468% (0.70 1.0 1.00 0.02 0.02) = 0.047% HD2 PRO 52 - HG3 LYS+ 102 2.778% * 0.0439% (0.66 1.0 1.00 0.02 0.02) = 0.044% QB SER 85 - HG3 LYS+ 33 2.778% * 0.0417% (0.62 1.0 1.00 0.02 0.02) = 0.042% HA2 GLY 16 - HG3 LYS+ 33 2.778% * 0.0417% (0.62 1.0 1.00 0.02 0.02) = 0.042% HA2 GLY 16 - HG3 LYS+ 102 2.778% * 0.0391% (0.59 1.0 1.00 0.02 0.02) = 0.039% QB SER 85 - HG3 LYS+ 102 2.778% * 0.0391% (0.59 1.0 1.00 0.02 0.02) = 0.039% HA ALA 88 - HG3 LYS+ 65 2.778% * 0.0357% (0.53 1.0 1.00 0.02 0.02) = 0.036% HA ALA 88 - HG3 LYS+ 33 2.778% * 0.0307% (0.46 1.0 1.00 0.02 0.02) = 0.031% HA ALA 88 - HG3 LYS+ 102 2.778% * 0.0288% (0.43 1.0 1.00 0.02 0.02) = 0.029% HD2 PRO 52 - HG3 LYS+ 106 2.778% * 0.0215% (0.32 1.0 1.00 0.02 0.02) = 0.021% HA ALA 120 - HG3 LYS+ 65 2.778% * 0.0210% (0.31 1.0 1.00 0.02 0.02) = 0.021% QB SER 85 - HG3 LYS+ 106 2.778% * 0.0191% (0.29 1.0 1.00 0.02 0.02) = 0.019% HA2 GLY 16 - HG3 LYS+ 106 2.778% * 0.0191% (0.29 1.0 1.00 0.02 0.02) = 0.019% HA SER 48 - HG3 LYS+ 65 2.778% * 0.0186% (0.28 1.0 1.00 0.02 0.02) = 0.019% HA ALA 120 - HG3 LYS+ 33 2.778% * 0.0181% (0.27 1.0 1.00 0.02 0.02) = 0.018% HA ALA 120 - HG3 LYS+ 102 2.778% * 0.0170% (0.25 1.0 1.00 0.02 0.02) = 0.017% HA SER 48 - HG3 LYS+ 33 2.778% * 0.0160% (0.24 1.0 1.00 0.02 0.02) = 0.016% HA SER 48 - HG3 LYS+ 102 2.778% * 0.0150% (0.22 1.0 1.00 0.02 0.02) = 0.015% HA ALA 88 - HG3 LYS+ 106 2.778% * 0.0141% (0.21 1.0 1.00 0.02 0.02) = 0.014% QB SER 48 - HG3 LYS+ 65 2.778% * 0.0090% (0.14 1.0 1.00 0.02 0.02) = 0.009% HA ALA 120 - HG3 LYS+ 106 2.778% * 0.0083% (0.12 1.0 1.00 0.02 0.02) = 0.008% QB SER 48 - HG3 LYS+ 33 2.778% * 0.0078% (0.12 1.0 1.00 0.02 0.02) = 0.008% HA SER 48 - HG3 LYS+ 106 2.778% * 0.0073% (0.11 1.0 1.00 0.02 0.02) = 0.007% QB SER 48 - HG3 LYS+ 102 2.778% * 0.0073% (0.11 1.0 1.00 0.02 0.02) = 0.007% QB SER 48 - HG3 LYS+ 106 2.778% * 0.0036% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 2806 (7.81, 1.38, 25.13 ppm): 8 chemical-shift based assignments, quality = 0.384, support = 1.58, residual support = 11.2: HN ASP- 105 - HG3 LYS+ 106 12.500% * 65.4876% (0.29 2.28 16.97) = 65.488% kept HN ASP- 105 - HG3 LYS+ 33 12.500% * 21.0558% (0.62 0.34 0.21) = 21.056% kept HN ASP- 105 - HG3 LYS+ 102 12.500% * 9.2862% (0.59 0.16 0.02) = 9.286% kept HN ASP- 105 - HG3 LYS+ 65 12.500% * 1.4592% (0.73 0.02 0.02) = 1.459% kept HN ALA 88 - HG3 LYS+ 65 12.500% * 0.8857% (0.44 0.02 0.02) = 0.886% HN ALA 88 - HG3 LYS+ 33 12.500% * 0.7619% (0.38 0.02 0.02) = 0.762% HN ALA 88 - HG3 LYS+ 102 12.500% * 0.7145% (0.36 0.02 0.02) = 0.714% HN ALA 88 - HG3 LYS+ 106 12.500% * 0.3492% (0.17 0.02 0.02) = 0.349% Peak 2807 (7.29, 4.07, 57.65 ppm): 3 chemical-shift based assignments, quality = 0.523, support = 3.92, residual support = 68.1: O HN LYS+ 66 - HA LYS+ 66 33.333% * 76.5739% (0.40 10.0 4.72 88.66) = 76.574% kept HN LYS+ 81 - HA LYS+ 66 33.333% * 12.0457% (0.92 1.0 1.35 0.71) = 12.046% kept QD PHE 60 - HA LYS+ 66 33.333% * 11.3805% (0.95 1.0 1.24 0.72) = 11.380% kept Peak 2808 (7.29, 1.82, 33.88 ppm): 3 chemical-shift based assignments, quality = 0.515, support = 3.81, residual support = 69.4: O HN LYS+ 66 - QB LYS+ 66 33.333% * 78.0865% (0.40 10.0 4.55 88.66) = 78.087% kept HN LYS+ 81 - QB LYS+ 66 33.333% * 11.3348% (0.92 1.0 1.25 0.71) = 11.335% kept QD PHE 60 - QB LYS+ 66 33.333% * 10.5787% (0.95 1.0 1.13 0.72) = 10.579% kept Peak 2809 (7.29, 1.44, 25.66 ppm): 6 chemical-shift based assignments, quality = 0.638, support = 2.68, residual support = 45.2: HN LYS+ 66 - QG LYS+ 66 16.667% * 50.3858% (0.40 4.42 88.66) = 50.386% kept QD PHE 60 - QG LYS+ 66 16.667% * 24.6801% (0.95 0.90 0.72) = 24.680% kept HN LYS+ 81 - QG LYS+ 66 16.667% * 22.0000% (0.92 0.83 0.71) = 22.000% kept HN LYS+ 81 - HG LEU 67 16.667% * 1.6698% (0.05 1.26 0.78) = 1.670% kept HN LYS+ 66 - HG LEU 67 16.667% * 1.2369% (0.02 2.17 14.36) = 1.237% kept QD PHE 60 - HG LEU 67 16.667% * 0.0273% (0.05 0.02 0.02) = 0.027% Peak 2810 (7.29, 1.51, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.631, support = 2.71, residual support = 47.9: HN LYS+ 66 - QD LYS+ 66 16.667% * 53.6283% (0.40 4.40 88.66) = 53.628% kept HN LYS+ 81 - QD LYS+ 66 16.667% * 23.3638% (0.92 0.82 0.71) = 23.364% kept QD PHE 60 - QD LYS+ 66 16.667% * 21.1172% (0.95 0.72 0.72) = 21.117% kept QD PHE 60 - HD2 LYS+ 121 16.667% * 1.7991% (0.11 0.55 0.76) = 1.799% kept HN LYS+ 81 - HD2 LYS+ 121 16.667% * 0.0640% (0.10 0.02 0.02) = 0.064% HN LYS+ 66 - HD2 LYS+ 121 16.667% * 0.0275% (0.04 0.02 0.02) = 0.028% Peak 2811 (1.45, 1.98, 42.52 ppm): 12 chemical-shift based assignments, quality = 0.381, support = 3.98, residual support = 40.0: O HG LEU 67 - HB2 LEU 67 8.333% * 46.8645% (0.40 10.0 1.00 4.57 44.55) = 46.864% kept O T HB3 LEU 67 - HB2 LEU 67 8.333% * 39.6805% (0.34 10.0 10.00 3.66 44.55) = 39.681% kept QG LYS+ 66 - HB2 LEU 67 8.333% * 10.3497% (0.49 1.0 1.00 3.61 14.36) = 10.350% kept HG LEU 73 - HB2 LEU 67 8.333% * 1.7035% (0.60 1.0 1.00 0.48 0.02) = 1.703% kept T HB3 LEU 115 - HB2 LEU 67 8.333% * 0.5733% (0.49 1.0 10.00 0.02 0.02) = 0.573% T HG LEU 40 - HB2 LEU 67 8.333% * 0.5733% (0.49 1.0 10.00 0.02 0.02) = 0.573% T HG LEU 115 - HB2 LEU 67 8.333% * 0.1176% (0.10 1.0 10.00 0.02 0.02) = 0.118% HG2 LYS+ 102 - HB2 LEU 67 8.333% * 0.0741% (0.63 1.0 1.00 0.02 0.02) = 0.074% QB ALA 61 - HB2 LEU 67 8.333% * 0.0263% (0.22 1.0 1.00 0.02 0.02) = 0.026% HG LEU 80 - HB2 LEU 67 8.333% * 0.0137% (0.12 1.0 1.00 0.02 0.02) = 0.014% QB ALA 120 - HB2 LEU 67 8.333% * 0.0118% (0.10 1.0 1.00 0.02 0.02) = 0.012% QB ALA 110 - HB2 LEU 67 8.333% * 0.0118% (0.10 1.0 1.00 0.02 0.02) = 0.012% Peak 2812 (0.99, 1.98, 42.52 ppm): 6 chemical-shift based assignments, quality = 0.586, support = 3.16, residual support = 43.5: O T QD1 LEU 67 - HB2 LEU 67 16.667% * 97.5518% (0.60 10.0 10.00 3.22 44.55) = 97.552% kept QD2 LEU 71 - HB2 LEU 67 16.667% * 1.2284% (0.12 1.0 1.00 1.30 0.02) = 1.228% kept T QD2 LEU 40 - HB2 LEU 67 16.667% * 0.9976% (0.61 1.0 10.00 0.02 0.02) = 0.998% QG2 ILE 103 - HB2 LEU 67 16.667% * 0.0878% (0.54 1.0 1.00 0.02 0.02) = 0.088% HG3 LYS+ 74 - HB2 LEU 67 16.667% * 0.0746% (0.46 1.0 1.00 0.02 0.02) = 0.075% HB VAL 75 - HB2 LEU 67 16.667% * 0.0598% (0.37 1.0 1.00 0.02 0.02) = 0.060% Peak 2813 (5.01, 0.92, 24.07 ppm): 2 chemical-shift based assignments, quality = 0.611, support = 2.18, residual support = 23.8: HA ASP- 76 - QD2 LEU 67 50.000% * 51.2334% (0.81 1.49 3.98) = 51.233% kept HA LEU 67 - QD2 LEU 67 50.000% * 48.7666% (0.40 2.91 44.55) = 48.767% kept Peak 2814 (1.47, 0.98, 27.63 ppm): 7 chemical-shift based assignments, quality = 0.64, support = 2.23, residual support = 41.9: O HG LEU 67 - QD1 LEU 67 14.286% * 94.1601% (0.63 10.0 1.00 2.36 44.55) = 94.160% kept HB3 LEU 40 - QD1 LEU 67 14.286% * 1.7414% (0.89 1.0 1.00 0.26 0.02) = 1.741% kept QB ALA 120 - QD1 LEU 67 14.286% * 1.5318% (1.00 1.0 1.00 0.21 0.02) = 1.532% kept T HG LEU 115 - QD1 LEU 67 14.286% * 1.4928% (1.00 1.0 10.00 0.02 0.02) = 1.493% kept T HG LEU 40 - QD1 LEU 67 14.286% * 0.7266% (0.49 1.0 10.00 0.02 0.02) = 0.727% T HB2 LYS+ 74 - QD1 LEU 67 14.286% * 0.2747% (0.18 1.0 10.00 0.02 0.02) = 0.275% HB3 LEU 115 - QD1 LEU 67 14.286% * 0.0727% (0.49 1.0 1.00 0.02 0.02) = 0.073% Peak 2815 (1.99, 0.98, 27.63 ppm): 9 chemical-shift based assignments, quality = 0.375, support = 2.73, residual support = 35.8: O T HB2 LEU 67 - QD1 LEU 67 11.111% * 71.3456% (0.18 10.0 10.00 3.22 44.55) = 71.346% kept HG2 PRO 68 - QD1 LEU 67 11.111% * 27.3417% (0.89 1.0 1.00 1.58 14.87) = 27.342% kept HB ILE 19 - QD1 LEU 67 11.111% * 0.3159% (0.81 1.0 1.00 0.02 0.02) = 0.316% QB GLU- 114 - QD1 LEU 67 11.111% * 0.2816% (0.73 1.0 1.00 0.02 0.02) = 0.282% HG3 PRO 58 - QD1 LEU 67 11.111% * 0.2446% (0.63 1.0 1.00 0.02 0.02) = 0.245% HB2 LEU 115 - QD1 LEU 67 11.111% * 0.2258% (0.58 1.0 1.00 0.02 0.02) = 0.226% HB3 GLU- 25 - QD1 LEU 67 11.111% * 0.1221% (0.31 1.0 1.00 0.02 0.02) = 0.122% QB GLU- 15 - QD1 LEU 67 11.111% * 0.0614% (0.16 1.0 1.00 0.02 0.02) = 0.061% HB2 GLN 17 - QD1 LEU 67 11.111% * 0.0614% (0.16 1.0 1.00 0.02 0.02) = 0.061% Peak 2816 (0.93, 1.46, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.81, support = 2.76, residual support = 44.3: O QD2 LEU 67 - HG LEU 67 25.000% * 99.3983% (0.81 10.0 1.00 2.78 44.55) = 99.398% kept T QD1 LEU 40 - HG LEU 67 25.000% * 0.5938% (0.49 1.0 10.00 0.02 0.02) = 0.594% QD2 LEU 67 - QG LYS+ 66 25.000% * 0.0050% (0.04 1.0 1.00 0.02 14.36) = 0.005% QD1 LEU 40 - QG LYS+ 66 25.000% * 0.0030% (0.02 1.0 1.00 0.02 0.17) = 0.003% Peak 2817 (0.63, 0.98, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.816, support = 0.02, residual support = 0.02: QG2 ILE 89 - QD1 LEU 67 50.000% * 64.5290% (0.97 0.02 0.02) = 64.529% kept QG1 VAL 83 - QD1 LEU 67 50.000% * 35.4710% (0.53 0.02 0.02) = 35.471% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2818 (6.71, 0.98, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.829, support = 2.14, residual support = 10.7: T HZ PHE 72 - QD1 LEU 67 50.000% * 82.0020% (0.95 10.00 2.28 10.72) = 82.002% kept T QD PHE 72 - QD1 LEU 67 50.000% * 17.9980% (0.28 10.00 1.50 10.72) = 17.998% kept Peak 2819 (7.00, 0.98, 27.63 ppm): 3 chemical-shift based assignments, quality = 0.738, support = 2.47, residual support = 8.84: QE PHE 72 - QD1 LEU 67 33.333% * 82.4602% (0.73 2.90 10.72) = 82.460% kept HN ALA 47 - QD1 LEU 67 33.333% * 15.9393% (0.85 0.48 0.02) = 15.939% kept QD PHE 95 - QD1 LEU 67 33.333% * 1.6004% (0.18 0.22 0.02) = 1.600% kept Peak 2820 (4.10, 1.46, 26.01 ppm): 8 chemical-shift based assignments, quality = 0.671, support = 0.543, residual support = 0.277: T HA ARG+ 54 - HG LEU 67 12.500% * 82.1850% (0.63 10.00 0.53 0.18) = 82.185% kept HA LYS+ 81 - HG LEU 67 12.500% * 15.4119% (0.99 1.00 0.64 0.78) = 15.412% kept HA LYS+ 81 - QG LYS+ 66 12.500% * 1.0634% (0.05 1.00 0.88 0.71) = 1.063% kept HA ARG+ 54 - QG LYS+ 66 12.500% * 0.4654% (0.03 1.00 0.60 0.13) = 0.465% HA GLU- 36 - HG LEU 67 12.500% * 0.4535% (0.92 1.00 0.02 0.02) = 0.453% HA ALA 124 - HG LEU 67 12.500% * 0.3791% (0.77 1.00 0.02 0.02) = 0.379% HA GLU- 36 - QG LYS+ 66 12.500% * 0.0227% (0.05 1.00 0.02 0.02) = 0.023% HA ALA 124 - QG LYS+ 66 12.500% * 0.0190% (0.04 1.00 0.02 0.02) = 0.019% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2821 (5.02, 1.46, 26.01 ppm): 2 chemical-shift based assignments, quality = 0.928, support = 1.27, residual support = 3.88: HA ASP- 76 - HG LEU 67 50.000% * 97.5715% (0.95 1.29 3.98) = 97.572% kept HA ASP- 76 - QG LYS+ 66 50.000% * 2.4285% (0.05 0.64 0.02) = 2.428% kept Peak 2822 (7.31, 1.46, 26.01 ppm): 10 chemical-shift based assignments, quality = 0.541, support = 0.944, residual support = 0.65: QD PHE 55 - HG LEU 67 10.000% * 55.7775% (0.73 0.79 0.61) = 55.777% kept HN LYS+ 81 - HG LEU 67 10.000% * 38.6545% (0.31 1.26 0.78) = 38.655% kept QD PHE 55 - QG LYS+ 66 10.000% * 1.6881% (0.04 0.48 0.02) = 1.688% kept HE3 TRP 27 - HG LEU 67 10.000% * 1.5907% (0.81 0.02 0.02) = 1.591% kept HN LYS+ 81 - QG LYS+ 66 10.000% * 1.2741% (0.02 0.83 0.71) = 1.274% kept QE PHE 95 - HG LEU 67 10.000% * 0.4761% (0.24 0.02 0.02) = 0.476% HN THR 23 - HG LEU 67 10.000% * 0.4149% (0.21 0.02 0.02) = 0.415% HE3 TRP 27 - QG LYS+ 66 10.000% * 0.0796% (0.04 0.02 0.02) = 0.080% QE PHE 95 - QG LYS+ 66 10.000% * 0.0238% (0.01 0.02 0.02) = 0.024% HN THR 23 - QG LYS+ 66 10.000% * 0.0208% (0.01 0.02 0.02) = 0.021% Peak 2823 (1.99, 1.43, 42.52 ppm): 9 chemical-shift based assignments, quality = 0.338, support = 2.96, residual support = 35.8: O T HB2 LEU 67 - HB3 LEU 67 11.111% * 72.6821% (0.17 10.0 10.00 3.66 44.55) = 72.682% kept HG2 PRO 68 - HB3 LEU 67 11.111% * 23.0839% (0.82 1.0 1.00 1.31 14.87) = 23.084% kept T HB ILE 19 - HB3 LEU 67 11.111% * 3.2185% (0.75 1.0 10.00 0.02 0.02) = 3.219% kept QB GLU- 114 - HB3 LEU 67 11.111% * 0.2868% (0.67 1.0 1.00 0.02 0.02) = 0.287% HG3 PRO 58 - HB3 LEU 67 11.111% * 0.2492% (0.58 1.0 1.00 0.02 0.02) = 0.249% HB2 LEU 115 - HB3 LEU 67 11.111% * 0.2300% (0.54 1.0 1.00 0.02 0.02) = 0.230% HB3 GLU- 25 - HB3 LEU 67 11.111% * 0.1244% (0.29 1.0 1.00 0.02 0.02) = 0.124% QB GLU- 15 - HB3 LEU 67 11.111% * 0.0625% (0.15 1.0 1.00 0.02 0.02) = 0.063% HB2 GLN 17 - HB3 LEU 67 11.111% * 0.0625% (0.15 1.0 1.00 0.02 0.02) = 0.063% Peak 2824 (5.03, 1.43, 42.52 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 1.62, residual support = 3.98: HA ASP- 76 - HB3 LEU 67 100.000% *100.0000% (0.41 1.62 3.98) = 100.000% kept Peak 2825 (7.36, 1.43, 42.52 ppm): 4 chemical-shift based assignments, quality = 0.418, support = 3.66, residual support = 43.3: O HN LEU 67 - HB3 LEU 67 25.000% * 97.0942% (0.41 10.0 3.76 44.55) = 97.094% kept HD2 HIS 22 - HB3 LEU 67 25.000% * 2.5380% (0.90 1.0 0.24 0.02) = 2.538% kept HD1 TRP 49 - HB3 LEU 67 25.000% * 0.1883% (0.79 1.0 0.02 0.02) = 0.188% HD21 ASN 35 - HB3 LEU 67 25.000% * 0.1795% (0.75 1.0 0.02 0.02) = 0.179% Peak 2826 (5.01, 1.98, 42.52 ppm): 2 chemical-shift based assignments, quality = 0.296, support = 4.25, residual support = 37.6: O HA LEU 67 - HB2 LEU 67 50.000% * 82.7867% (0.25 10.0 4.72 44.55) = 82.787% kept HA ASP- 76 - HB2 LEU 67 50.000% * 17.2133% (0.51 1.0 2.02 3.98) = 17.213% kept Peak 2827 (7.00, 1.98, 42.52 ppm): 3 chemical-shift based assignments, quality = 0.472, support = 1.96, residual support = 8.79: QE PHE 72 - HB2 LEU 67 33.333% * 81.9258% (0.46 2.30 10.72) = 81.926% kept HN ALA 47 - HB2 LEU 67 33.333% * 17.8936% (0.54 0.43 0.02) = 17.894% kept QD PHE 95 - HB2 LEU 67 33.333% * 0.1806% (0.12 0.02 0.02) = 0.181% Peak 2828 (7.35, 1.98, 42.52 ppm): 6 chemical-shift based assignments, quality = 0.597, support = 4.62, residual support = 44.4: O HN LEU 67 - HB2 LEU 67 16.667% * 99.6859% (0.60 10.0 4.63 44.55) = 99.686% kept HD1 TRP 49 - HB2 LEU 67 16.667% * 0.0969% (0.58 1.0 0.02 0.02) = 0.097% HD2 HIS 22 - HB2 LEU 67 16.667% * 0.0810% (0.49 1.0 0.02 0.02) = 0.081% HN THR 23 - HB2 LEU 67 16.667% * 0.0560% (0.34 1.0 0.02 0.02) = 0.056% QE PHE 95 - HB2 LEU 67 16.667% * 0.0511% (0.31 1.0 0.02 0.02) = 0.051% HD21 ASN 35 - HB2 LEU 67 16.667% * 0.0292% (0.18 1.0 0.02 0.02) = 0.029% Peak 2831 (6.72, 1.98, 42.52 ppm): 1 chemical-shift based assignment, quality = 0.514, support = 2.28, residual support = 10.7: T HZ PHE 72 - HB2 LEU 67 100.000% *100.0000% (0.51 10.00 2.28 10.72) = 100.000% kept Peak 2832 (3.78, 2.11, 31.99 ppm): 4 chemical-shift based assignments, quality = 0.524, support = 3.38, residual support = 56.0: O T HA VAL 24 - HB VAL 24 25.000% * 98.6284% (0.52 10.0 10.00 3.43 56.79) = 98.628% kept T HA VAL 24 - HB2 PRO 68 25.000% * 1.1196% (0.60 1.0 10.00 0.02 0.02) = 1.120% kept HA LYS+ 38 - HB2 PRO 68 25.000% * 0.1339% (0.71 1.0 1.00 0.02 0.02) = 0.134% HA LYS+ 38 - HB VAL 24 25.000% * 0.1180% (0.63 1.0 1.00 0.02 0.02) = 0.118% Peak 2833 (1.11, 2.11, 31.99 ppm): 10 chemical-shift based assignments, quality = 0.603, support = 2.95, residual support = 55.8: O T QG1 VAL 24 - HB VAL 24 10.000% * 98.2781% (0.61 10.0 10.00 3.00 56.79) = 98.278% kept T QG1 VAL 24 - HB2 PRO 68 10.000% * 1.1157% (0.69 1.0 10.00 0.02 0.02) = 1.116% kept HD3 LYS+ 112 - HB2 PRO 68 10.000% * 0.1216% (0.75 1.0 1.00 0.02 0.02) = 0.122% HD3 LYS+ 112 - HB VAL 24 10.000% * 0.1071% (0.66 1.0 1.00 0.02 0.02) = 0.107% HB3 LEU 31 - HB2 PRO 68 10.000% * 0.0729% (0.45 1.0 1.00 0.02 0.02) = 0.073% HG13 ILE 119 - HB2 PRO 68 10.000% * 0.0669% (0.41 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 31 - HB VAL 24 10.000% * 0.0642% (0.40 1.0 1.00 0.02 0.02) = 0.064% QG1 VAL 107 - HB2 PRO 68 10.000% * 0.0609% (0.38 1.0 1.00 0.02 0.02) = 0.061% HG13 ILE 119 - HB VAL 24 10.000% * 0.0589% (0.36 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 107 - HB VAL 24 10.000% * 0.0537% (0.33 1.0 1.00 0.02 0.02) = 0.054% Peak 2834 (8.80, 2.11, 31.99 ppm): 8 chemical-shift based assignments, quality = 0.296, support = 4.81, residual support = 19.9: O HN ASN 69 - HB2 PRO 68 12.500% * 62.7213% (0.21 10.0 5.46 21.36) = 62.721% kept HN ASN 28 - HB VAL 24 12.500% * 19.0506% (0.65 1.0 2.02 7.18) = 19.051% kept HN GLU- 25 - HB VAL 24 12.500% * 17.7370% (0.21 1.0 5.67 28.72) = 17.737% kept HN ASN 28 - HB2 PRO 68 12.500% * 0.2143% (0.73 1.0 0.02 0.02) = 0.214% HN ASP- 44 - HB2 PRO 68 12.500% * 0.0800% (0.27 1.0 0.02 0.02) = 0.080% HN GLU- 25 - HB2 PRO 68 12.500% * 0.0711% (0.24 1.0 0.02 0.02) = 0.071% HN ASP- 44 - HB VAL 24 12.500% * 0.0705% (0.24 1.0 0.02 0.02) = 0.070% HN ASN 69 - HB VAL 24 12.500% * 0.0553% (0.19 1.0 0.02 0.02) = 0.055% Peak 2835 (9.23, 2.11, 31.99 ppm): 2 chemical-shift based assignments, quality = 0.241, support = 3.71, residual support = 56.7: O HN VAL 24 - HB VAL 24 50.000% * 99.8866% (0.24 10.0 3.72 56.79) = 99.887% kept HN VAL 24 - HB2 PRO 68 50.000% * 0.1134% (0.27 1.0 0.02 0.02) = 0.113% Peak 2836 (3.34, 1.98, 27.31 ppm): 6 chemical-shift based assignments, quality = 0.445, support = 2.68, residual support = 25.2: O HD3 PRO 68 - HG2 PRO 68 16.667% * 98.9852% (0.45 10.0 2.71 25.44) = 98.985% kept HB3 CYS 53 - HG2 PRO 68 16.667% * 0.6498% (0.57 1.0 0.10 0.02) = 0.650% HD2 ARG+ 54 - HG2 PRO 68 16.667% * 0.1279% (0.58 1.0 0.02 0.02) = 0.128% HD3 PRO 93 - HG2 PRO 68 16.667% * 0.1045% (0.47 1.0 0.02 0.02) = 0.105% QB PHE 55 - HG2 PRO 68 16.667% * 0.0871% (0.40 1.0 0.02 0.02) = 0.087% HB2 PHE 59 - HG2 PRO 68 16.667% * 0.0455% (0.21 1.0 0.02 0.02) = 0.045% Peak 2837 (3.75, 1.98, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.518, support = 2.75, residual support = 25.4: O HD2 PRO 68 - HG2 PRO 68 33.333% * 99.8694% (0.52 10.0 2.75 25.44) = 99.869% kept HA ALA 61 - HG2 PRO 68 33.333% * 0.0761% (0.40 1.0 0.02 0.02) = 0.076% HA VAL 24 - HG2 PRO 68 33.333% * 0.0545% (0.28 1.0 0.02 0.02) = 0.055% Peak 2838 (3.34, 1.86, 27.31 ppm): 12 chemical-shift based assignments, quality = 0.604, support = 3.45, residual support = 49.8: O HD3 PRO 68 - HG3 PRO 68 8.333% * 68.2637% (0.77 10.0 1.00 3.08 25.44) = 68.264% kept O T HD2 ARG+ 54 - HG2 ARG+ 54 8.333% * 23.4385% (0.26 10.0 10.00 4.76 133.22) = 23.438% kept HB3 CYS 53 - HG2 ARG+ 54 8.333% * 4.2803% (0.26 1.0 1.00 3.75 25.63) = 4.280% kept QB PHE 55 - HG2 ARG+ 54 8.333% * 2.4785% (0.18 1.0 1.00 3.10 5.31) = 2.478% kept T HD2 ARG+ 54 - HG3 PRO 68 8.333% * 0.8818% (1.00 1.0 10.00 0.02 0.02) = 0.882% HB3 CYS 53 - HG3 PRO 68 8.333% * 0.4481% (0.97 1.0 1.00 0.10 0.02) = 0.448% HD3 PRO 93 - HG3 PRO 68 8.333% * 0.0721% (0.81 1.0 1.00 0.02 0.02) = 0.072% QB PHE 55 - HG3 PRO 68 8.333% * 0.0601% (0.68 1.0 1.00 0.02 0.02) = 0.060% HB2 PHE 59 - HG3 PRO 68 8.333% * 0.0314% (0.35 1.0 1.00 0.02 0.02) = 0.031% HD3 PRO 93 - HG2 ARG+ 54 8.333% * 0.0192% (0.22 1.0 1.00 0.02 0.02) = 0.019% HD3 PRO 68 - HG2 ARG+ 54 8.333% * 0.0181% (0.21 1.0 1.00 0.02 0.02) = 0.018% HB2 PHE 59 - HG2 ARG+ 54 8.333% * 0.0083% (0.09 1.0 1.00 0.02 0.02) = 0.008% Peak 2839 (3.75, 1.86, 27.31 ppm): 6 chemical-shift based assignments, quality = 0.889, support = 3.15, residual support = 25.4: O HD2 PRO 68 - HG3 PRO 68 16.667% * 99.8082% (0.89 10.0 3.15 25.44) = 99.808% kept HA ALA 61 - HG3 PRO 68 16.667% * 0.0760% (0.68 1.0 0.02 0.02) = 0.076% HA VAL 24 - HG3 PRO 68 16.667% * 0.0545% (0.49 1.0 0.02 0.02) = 0.055% HD2 PRO 68 - HG2 ARG+ 54 16.667% * 0.0265% (0.24 1.0 0.02 0.02) = 0.027% HA ALA 61 - HG2 ARG+ 54 16.667% * 0.0202% (0.18 1.0 0.02 0.02) = 0.020% HA VAL 24 - HG2 ARG+ 54 16.667% * 0.0145% (0.13 1.0 0.02 0.02) = 0.014% Peak 2840 (3.33, 3.75, 50.60 ppm): 12 chemical-shift based assignments, quality = 0.964, support = 4.52, residual support = 24.2: O T HD3 PRO 68 - HD2 PRO 68 8.333% * 95.0499% (0.97 10.0 10.00 4.75 25.44) = 95.050% kept T HD3 PRO 93 - HD2 PRO 68 8.333% * 4.2833% (0.95 1.0 10.00 0.09 0.02) = 4.283% kept HB3 CYS 53 - HD2 PRO 68 8.333% * 0.3936% (0.77 1.0 1.00 0.10 0.02) = 0.394% QB PHE 55 - HD2 PRO 68 8.333% * 0.0975% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB2 PHE 59 - HD2 PRO 68 8.333% * 0.0872% (0.89 1.0 1.00 0.02 0.02) = 0.087% HD2 ARG+ 54 - HD2 PRO 68 8.333% * 0.0664% (0.68 1.0 1.00 0.02 0.02) = 0.066% QB PHE 55 - HD3 PRO 58 8.333% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 PRO 68 - HD3 PRO 58 8.333% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HD3 PRO 93 - HD3 PRO 58 8.333% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 PHE 59 - HD3 PRO 58 8.333% * 0.0037% (0.04 1.0 1.00 0.02 35.64) = 0.004% HB3 CYS 53 - HD3 PRO 58 8.333% * 0.0032% (0.03 1.0 1.00 0.02 0.02) = 0.003% HD2 ARG+ 54 - HD3 PRO 58 8.333% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 2841 (3.75, 3.33, 50.60 ppm): 6 chemical-shift based assignments, quality = 0.888, support = 4.73, residual support = 25.4: O T HD2 PRO 68 - HD3 PRO 68 16.667% * 99.6629% (0.89 10.0 10.00 4.75 25.44) = 99.663% kept T HD2 PRO 68 - HD3 PRO 93 16.667% * 0.1828% (0.16 1.0 10.00 0.02 0.02) = 0.183% HA ALA 61 - HD3 PRO 68 16.667% * 0.0759% (0.68 1.0 1.00 0.02 0.02) = 0.076% HA VAL 24 - HD3 PRO 68 16.667% * 0.0544% (0.49 1.0 1.00 0.02 0.02) = 0.054% HA ALA 61 - HD3 PRO 93 16.667% * 0.0139% (0.12 1.0 1.00 0.02 0.02) = 0.014% HA VAL 24 - HD3 PRO 93 16.667% * 0.0100% (0.09 1.0 1.00 0.02 0.02) = 0.010% Peak 2844 (5.01, 3.33, 50.60 ppm): 4 chemical-shift based assignments, quality = 0.422, support = 3.73, residual support = 13.9: O HA LEU 67 - HD3 PRO 68 25.000% * 93.7812% (0.40 10.0 3.94 14.87) = 93.781% kept HA ASP- 76 - HD3 PRO 68 25.000% * 6.1662% (0.81 1.0 0.64 0.02) = 6.166% kept HA ASP- 76 - HD3 PRO 93 25.000% * 0.0353% (0.15 1.0 0.02 0.02) = 0.035% HA LEU 67 - HD3 PRO 93 25.000% * 0.0172% (0.07 1.0 0.02 0.02) = 0.017% Peak 2845 (5.01, 3.75, 50.60 ppm): 4 chemical-shift based assignments, quality = 0.422, support = 3.89, residual support = 14.0: O HA LEU 67 - HD2 PRO 68 25.000% * 93.8190% (0.40 10.0 4.10 14.87) = 93.819% kept HA ASP- 76 - HD2 PRO 68 25.000% * 6.1687% (0.81 1.0 0.64 0.02) = 6.169% kept HA ASP- 76 - HD3 PRO 58 25.000% * 0.0083% (0.04 1.0 0.02 0.02) = 0.008% HA LEU 67 - HD3 PRO 58 25.000% * 0.0040% (0.02 1.0 0.02 0.02) = 0.004% Peak 2846 (7.70, 2.90, 37.49 ppm): 5 chemical-shift based assignments, quality = 0.545, support = 2.79, residual support = 45.7: O HD21 ASN 69 - HB2 ASN 69 20.000% * 92.9133% (0.53 10.0 2.95 49.18) = 92.913% kept HN GLN 17 - HB2 ASN 69 20.000% * 5.3568% (0.77 1.0 0.80 0.02) = 5.357% kept HE3 TRP 87 - HB2 ASN 69 20.000% * 1.5966% (0.49 1.0 0.38 0.02) = 1.597% kept HN TRP 87 - HB2 ASN 69 20.000% * 0.1013% (0.58 1.0 0.02 0.02) = 0.101% HN ALA 61 - HB2 ASN 69 20.000% * 0.0320% (0.18 1.0 0.02 0.02) = 0.032% Peak 2847 (8.82, 2.90, 37.49 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 4.82, residual support = 49.2: O HN ASN 69 - HB2 ASN 69 50.000% * 99.9707% (0.95 10.0 4.82 49.18) = 99.971% kept HN ASN 28 - HB2 ASN 69 50.000% * 0.0293% (0.28 1.0 0.02 0.02) = 0.029% Peak 2848 (7.69, 2.81, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 2.87, residual support = 47.3: O HD21 ASN 69 - HB3 ASN 69 33.333% * 96.1414% (0.99 10.0 2.96 49.18) = 96.141% kept HN GLN 17 - HB3 ASN 69 33.333% * 3.7615% (0.97 1.0 0.80 0.02) = 3.762% kept HN TRP 87 - HB3 ASN 69 33.333% * 0.0971% (1.00 1.0 0.02 0.02) = 0.097% Peak 2849 (8.82, 2.81, 37.49 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 4.33, residual support = 49.2: O HN ASN 69 - HB3 ASN 69 50.000% * 99.9707% (0.95 10.0 4.34 49.18) = 99.971% kept HN ASN 28 - HB3 ASN 69 50.000% * 0.0293% (0.28 1.0 0.02 0.02) = 0.029% Peak 2850 (7.71, 4.68, 53.57 ppm): 5 chemical-shift based assignments, quality = 0.417, support = 0.155, residual support = 0.0695: HN TRP 27 - HA ASN 69 20.000% * 39.7079% (0.24 0.24 0.14) = 39.708% kept HN GLN 17 - HA ASN 69 20.000% * 28.1023% (0.21 0.19 0.02) = 28.102% kept HE3 TRP 87 - HA ASN 69 20.000% * 13.5570% (0.99 0.02 0.02) = 13.557% kept HN ALA 61 - HA ASN 69 20.000% * 9.9712% (0.73 0.02 0.02) = 9.971% kept HN ALA 91 - HA ASN 69 20.000% * 8.6616% (0.63 0.02 0.02) = 8.662% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2851 (6.35, 4.68, 53.57 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 0.145, residual support = 0.145: HZ3 TRP 27 - HA ASN 69 100.000% *100.0000% (0.85 0.14 0.14) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2852 (1.31, 4.01, 61.79 ppm): 8 chemical-shift based assignments, quality = 0.486, support = 0.02, residual support = 0.02: T QB ALA 88 - HB2 SER 82 12.500% * 50.3631% (0.32 10.00 0.02 0.02) = 50.363% kept QG2 THR 77 - HA VAL 70 12.500% * 15.6916% (0.99 1.00 0.02 0.02) = 15.692% kept QB ALA 88 - HA VAL 70 12.500% * 12.9504% (0.81 1.00 0.02 0.02) = 12.950% kept HG2 LYS+ 38 - HA VAL 70 12.500% * 6.3036% (0.40 1.00 0.02 0.02) = 6.304% kept QG2 THR 77 - HB2 SER 82 12.500% * 6.1023% (0.38 1.00 0.02 0.02) = 6.102% kept HG2 LYS+ 99 - HA VAL 70 12.500% * 4.4190% (0.28 1.00 0.02 0.02) = 4.419% kept HG2 LYS+ 38 - HB2 SER 82 12.500% * 2.4514% (0.15 1.00 0.02 0.02) = 2.451% kept HG2 LYS+ 99 - HB2 SER 82 12.500% * 1.7185% (0.11 1.00 0.02 0.02) = 1.719% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2853 (8.14, 4.01, 61.79 ppm): 4 chemical-shift based assignments, quality = 0.814, support = 5.42, residual support = 35.2: O HN LEU 71 - HA VAL 70 25.000% * 99.9008% (0.81 10.0 5.42 35.28) = 99.901% kept HN GLU- 114 - HA VAL 70 25.000% * 0.0435% (0.35 1.0 0.02 0.02) = 0.043% HN LEU 71 - HB2 SER 82 25.000% * 0.0389% (0.32 1.0 0.02 0.02) = 0.039% HN GLU- 114 - HB2 SER 82 25.000% * 0.0169% (0.14 1.0 0.02 0.02) = 0.017% Peak 2854 (6.71, 2.20, 34.17 ppm): 4 chemical-shift based assignments, quality = 0.943, support = 3.16, residual support = 32.6: T HZ PHE 72 - HB VAL 70 25.000% * 93.3186% (1.00 10.00 3.25 33.76) = 93.319% kept T HZ PHE 72 - QG GLN 17 25.000% * 3.4756% (0.18 10.00 0.40 0.02) = 3.476% kept QD PHE 72 - HB VAL 70 25.000% * 3.2027% (0.18 1.00 3.72 33.76) = 3.203% kept QD PHE 72 - QG GLN 17 25.000% * 0.0032% (0.03 1.00 0.02 0.02) = 0.003% Peak 2855 (7.00, 2.20, 34.17 ppm): 6 chemical-shift based assignments, quality = 0.634, support = 2.98, residual support = 30.7: QE PHE 72 - HB VAL 70 16.667% * 91.0190% (0.63 3.25 33.76) = 91.019% kept HN ALA 47 - HB VAL 70 16.667% * 6.1554% (0.92 0.15 0.02) = 6.155% kept QE PHE 72 - QG GLN 17 16.667% * 2.4170% (0.12 0.47 0.02) = 2.417% kept QD PHE 95 - HB VAL 70 16.667% * 0.2167% (0.24 0.02 0.02) = 0.217% HN ALA 47 - QG GLN 17 16.667% * 0.1518% (0.17 0.02 0.02) = 0.152% QD PHE 95 - QG GLN 17 16.667% * 0.0401% (0.05 0.02 0.02) = 0.040% Peak 2856 (7.99, 2.20, 34.17 ppm): 4 chemical-shift based assignments, quality = 0.678, support = 4.05, residual support = 66.9: O HN VAL 70 - HB VAL 70 25.000% * 99.8526% (0.68 10.0 4.06 66.98) = 99.853% kept HN GLU- 79 - HB VAL 70 25.000% * 0.1239% (0.18 1.0 0.09 0.02) = 0.124% HN VAL 70 - QG GLN 17 25.000% * 0.0185% (0.13 1.0 0.02 0.83) = 0.018% HN GLU- 79 - QG GLN 17 25.000% * 0.0050% (0.03 1.0 0.02 0.02) = 0.005% Peak 2857 (8.01, 0.86, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.201, support = 4.67, residual support = 61.5: HN VAL 70 - QG1 VAL 70 33.333% * 91.8517% (0.16 5.08 66.98) = 91.852% kept HN GLU- 79 - QG1 VAL 70 33.333% * 7.5914% (0.73 0.09 0.02) = 7.591% kept HN THR 94 - QG1 VAL 70 33.333% * 0.5568% (0.24 0.02 0.02) = 0.557% Peak 2859 (8.93, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.353, support = 1.89, residual support = 1.69: HN LEU 73 - QG2 VAL 70 33.333% * 46.3844% (0.26 2.57 2.48) = 46.384% kept HN ILE 19 - QG2 VAL 70 33.333% * 45.9564% (0.46 1.43 1.17) = 45.956% kept HN VAL 42 - QG2 VAL 70 33.333% * 7.6592% (0.26 0.43 0.02) = 7.659% kept Peak 2860 (1.46, 0.19, 22.28 ppm): 10 chemical-shift based assignments, quality = 0.365, support = 3.43, residual support = 17.4: T HG LEU 40 - QG2 VAL 70 10.000% * 48.4706% (0.48 10.00 4.20 27.04) = 48.471% kept T HG LEU 73 - QG2 VAL 70 10.000% * 25.9704% (0.26 10.00 3.27 2.48) = 25.970% kept T HB3 LEU 40 - QG2 VAL 70 10.000% * 13.5198% (0.14 10.00 3.75 27.04) = 13.520% kept T HB3 LEU 115 - QG2 VAL 70 10.000% * 7.1280% (0.48 10.00 0.29 0.02) = 7.128% kept T HG LEU 115 - QG2 VAL 70 10.000% * 3.7972% (0.26 10.00 0.29 0.02) = 3.797% kept QB ALA 120 - QG2 VAL 70 10.000% * 0.6159% (0.26 1.00 0.47 0.02) = 0.616% HG2 LYS+ 102 - QG2 VAL 70 10.000% * 0.4271% (0.33 1.00 0.26 0.02) = 0.427% HG LEU 67 - QG2 VAL 70 10.000% * 0.0480% (0.48 1.00 0.02 0.02) = 0.048% QG LYS+ 66 - QG2 VAL 70 10.000% * 0.0153% (0.15 1.00 0.02 0.02) = 0.015% HB3 LEU 67 - QG2 VAL 70 10.000% * 0.0077% (0.08 1.00 0.02 0.02) = 0.008% Peak 2861 (6.70, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.314, support = 3.79, residual support = 33.7: T QD PHE 72 - QG2 VAL 70 33.333% * 57.5979% (0.35 10.00 3.05 33.76) = 57.598% kept T HZ PHE 72 - QG2 VAL 70 33.333% * 42.3635% (0.26 10.00 4.80 33.76) = 42.363% kept QE PHE 45 - QG2 VAL 70 33.333% * 0.0386% (0.24 1.00 0.02 0.02) = 0.039% Peak 2862 (6.99, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.463, support = 4.22, residual support = 31.2: QE PHE 72 - QG2 VAL 70 33.333% * 92.5364% (0.49 4.51 33.76) = 92.536% kept HN ALA 47 - QG2 VAL 70 33.333% * 5.2059% (0.19 0.64 0.02) = 5.206% kept HD22 ASN 28 - QG2 VAL 70 33.333% * 2.2578% (0.10 0.52 0.51) = 2.258% kept Peak 2863 (8.16, 0.19, 22.28 ppm): 4 chemical-shift based assignments, quality = 0.437, support = 5.81, residual support = 32.6: HN LEU 71 - QG2 VAL 70 25.000% * 92.4479% (0.45 6.26 35.28) = 92.448% kept HN GLU- 114 - QG2 VAL 70 25.000% * 3.3585% (0.45 0.23 0.02) = 3.359% kept HN GLN 116 - QG2 VAL 70 25.000% * 2.9920% (0.19 0.47 0.02) = 2.992% kept HN THR 118 - QG2 VAL 70 25.000% * 1.2015% (0.08 0.47 0.02) = 1.202% kept Peak 2864 (6.70, 0.86, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.56, support = 2.17, residual support = 33.7: T HZ PHE 72 - QG1 VAL 70 33.333% * 86.3043% (0.53 10.00 2.15 33.76) = 86.304% kept QD PHE 72 - QG1 VAL 70 33.333% * 13.6171% (0.73 1.00 2.32 33.76) = 13.617% kept QE PHE 45 - QG1 VAL 70 33.333% * 0.0787% (0.49 1.00 0.02 0.02) = 0.079% Peak 2865 (4.88, 1.80, 44.15 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 0.676, residual support = 0.856: HA VAL 41 - HB2 LEU 71 33.333% * 53.9832% (0.89 0.75 1.17) = 53.983% kept HA HIS 122 - HB2 LEU 71 33.333% * 45.6229% (0.95 0.59 0.49) = 45.623% kept HA PHE 45 - HB2 LEU 71 33.333% * 0.3939% (0.24 0.02 0.02) = 0.394% Peak 2866 (8.16, 1.80, 44.15 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 6.04, residual support = 130.9: O HN LEU 71 - HB2 LEU 71 25.000% * 99.8401% (0.92 10.0 6.05 131.16) = 99.840% kept HN GLU- 114 - HB2 LEU 71 25.000% * 0.0998% (0.92 1.0 0.02 0.02) = 0.100% HN GLN 116 - HB2 LEU 71 25.000% * 0.0429% (0.40 1.0 0.02 0.02) = 0.043% HN THR 118 - HB2 LEU 71 25.000% * 0.0171% (0.16 1.0 0.02 0.02) = 0.017% Peak 2867 (8.16, 1.20, 44.15 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 5.99, residual support = 130.9: O HN LEU 71 - HB3 LEU 71 25.000% * 99.8401% (0.92 10.0 5.99 131.16) = 99.840% kept HN GLU- 114 - HB3 LEU 71 25.000% * 0.0998% (0.92 1.0 0.02 0.02) = 0.100% HN GLN 116 - HB3 LEU 71 25.000% * 0.0429% (0.40 1.0 0.02 0.02) = 0.043% HN THR 118 - HB3 LEU 71 25.000% * 0.0171% (0.16 1.0 0.02 0.02) = 0.017% Peak 2870 (1.81, 1.24, 27.63 ppm): 16 chemical-shift based assignments, quality = 0.945, support = 4.86, residual support = 130.5: O HB2 LEU 71 - HG LEU 71 6.250% * 99.4668% (0.95 10.0 4.88 131.16) = 99.467% kept QB LYS+ 102 - HG LEU 71 6.250% * 0.1047% (1.00 1.0 0.02 0.02) = 0.105% QB LYS+ 65 - HG LEU 71 6.250% * 0.1017% (0.97 1.0 0.02 0.02) = 0.102% HG2 PRO 93 - HG LEU 71 6.250% * 0.0933% (0.89 1.0 0.02 0.02) = 0.093% QB LYS+ 66 - HG LEU 71 6.250% * 0.0610% (0.58 1.0 0.02 0.02) = 0.061% HB VAL 41 - HG LEU 71 6.250% * 0.0371% (0.35 1.0 0.02 1.17) = 0.037% HB3 GLN 17 - HG LEU 71 6.250% * 0.0371% (0.35 1.0 0.02 0.02) = 0.037% HG12 ILE 103 - HG LEU 71 6.250% * 0.0222% (0.21 1.0 0.02 0.02) = 0.022% QB LYS+ 102 - HG13 ILE 19 6.250% * 0.0143% (0.14 1.0 0.02 3.31) = 0.014% QB LYS+ 65 - HG13 ILE 19 6.250% * 0.0139% (0.13 1.0 0.02 0.02) = 0.014% HB2 LEU 71 - HG13 ILE 19 6.250% * 0.0136% (0.13 1.0 0.02 2.27) = 0.014% HG2 PRO 93 - HG13 ILE 19 6.250% * 0.0127% (0.12 1.0 0.02 0.02) = 0.013% QB LYS+ 66 - HG13 ILE 19 6.250% * 0.0083% (0.08 1.0 0.02 0.02) = 0.008% HB3 GLN 17 - HG13 ILE 19 6.250% * 0.0051% (0.05 1.0 0.02 0.02) = 0.005% HB VAL 41 - HG13 ILE 19 6.250% * 0.0051% (0.05 1.0 0.02 0.02) = 0.005% HG12 ILE 103 - HG13 ILE 19 6.250% * 0.0030% (0.03 1.0 0.02 1.72) = 0.003% Peak 2873 (8.14, 0.96, 23.45 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 6.43, residual support = 131.0: HN LEU 71 - QD2 LEU 71 50.000% * 99.8650% (0.81 6.44 131.16) = 99.865% kept HN GLU- 114 - QD2 LEU 71 50.000% * 0.1350% (0.35 0.02 0.02) = 0.135% Peak 2874 (9.37, 0.96, 23.45 ppm): 2 chemical-shift based assignments, quality = 0.628, support = 5.05, residual support = 16.7: HN PHE 72 - QD2 LEU 71 50.000% * 99.5202% (0.63 5.07 16.74) = 99.520% kept HN LEU 104 - QD2 LEU 71 50.000% * 0.4798% (0.77 0.02 0.02) = 0.480% Peak 2875 (8.96, 5.27, 56.60 ppm): 3 chemical-shift based assignments, quality = 0.493, support = 4.62, residual support = 27.9: O HN LEU 73 - HA PHE 72 33.333% * 92.7175% (0.49 10.0 4.90 30.03) = 92.718% kept HN VAL 42 - HA PHE 72 33.333% * 5.4061% (0.49 1.0 1.17 0.89) = 5.406% kept HN LYS+ 106 - HA PHE 72 33.333% * 1.8764% (0.49 1.0 0.40 0.02) = 1.876% kept Peak 2876 (9.35, 5.27, 56.60 ppm): 1 chemical-shift based assignment, quality = 0.605, support = 4.96, residual support = 78.9: O HN PHE 72 - HA PHE 72 100.000% *100.0000% (0.61 10.0 4.96 78.89) = 100.000% kept Peak 2877 (1.43, 5.27, 56.60 ppm): 11 chemical-shift based assignments, quality = 0.375, support = 1.5, residual support = 11.5: HG LEU 73 - HA PHE 72 9.091% * 35.9153% (0.24 2.77 30.03) = 35.915% kept HG LEU 80 - HA PHE 72 9.091% * 23.0674% (0.68 0.63 1.20) = 23.067% kept HB3 LYS+ 74 - HA PHE 72 9.091% * 15.6425% (0.19 1.54 1.31) = 15.642% kept HB2 LEU 80 - HA PHE 72 9.091% * 13.3415% (0.33 0.75 1.20) = 13.342% kept HG12 ILE 19 - HA PHE 72 9.091% * 9.1826% (0.65 0.26 0.87) = 9.183% kept QB ALA 110 - HA PHE 72 9.091% * 0.7229% (0.67 0.02 0.02) = 0.723% QB ALA 61 - HA PHE 72 9.091% * 0.6956% (0.65 0.02 0.02) = 0.696% HB3 LEU 67 - HA PHE 72 9.091% * 0.5966% (0.55 0.02 10.72) = 0.597% QG LYS+ 66 - HA PHE 72 9.091% * 0.4263% (0.40 0.02 0.60) = 0.426% HD3 LYS+ 121 - HA PHE 72 9.091% * 0.2306% (0.21 0.02 0.02) = 0.231% HG2 LYS+ 102 - HA PHE 72 9.091% * 0.1785% (0.17 0.02 0.02) = 0.179% Peak 2878 (0.78, 2.83, 40.30 ppm): 5 chemical-shift based assignments, quality = 0.729, support = 3.85, residual support = 20.8: QD2 LEU 73 - HB2 PHE 72 20.000% * 68.0372% (0.75 5.07 30.03) = 68.037% kept HG LEU 31 - HB2 PHE 72 20.000% * 16.5488% (0.66 1.40 1.21) = 16.549% kept QD1 ILE 56 - HB2 PHE 72 20.000% * 15.0269% (0.73 1.15 0.83) = 15.027% kept HG3 LYS+ 121 - HB2 PHE 72 20.000% * 0.3284% (0.24 0.08 0.02) = 0.328% QG1 VAL 41 - HB2 PHE 72 20.000% * 0.0587% (0.16 0.02 0.02) = 0.059% Peak 2879 (0.40, 2.83, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 3.2, residual support = 43.0: T QB ALA 64 - HB2 PHE 72 100.000% *100.0000% (0.77 10.00 3.20 43.05) = 100.000% kept Peak 2880 (0.77, 2.28, 40.30 ppm): 7 chemical-shift based assignments, quality = 0.626, support = 4.31, residual support = 20.8: QD2 LEU 73 - HB3 PHE 72 14.286% * 68.2514% (0.63 5.66 30.03) = 68.251% kept HG LEU 31 - HB3 PHE 72 14.286% * 21.9398% (0.75 1.52 1.21) = 21.940% kept QD1 ILE 56 - HB3 PHE 72 14.286% * 8.8813% (0.36 1.29 0.83) = 8.881% kept QG1 VAL 43 - HB3 PHE 72 14.286% * 0.5749% (0.40 0.08 0.02) = 0.575% QG1 VAL 41 - HB3 PHE 72 14.286% * 0.2270% (0.59 0.02 0.02) = 0.227% QG2 VAL 18 - HB3 PHE 72 14.286% * 0.0762% (0.20 0.02 0.02) = 0.076% QG2 THR 46 - HB3 PHE 72 14.286% * 0.0495% (0.13 0.02 0.02) = 0.049% Peak 2881 (0.41, 2.28, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.514, support = 3.52, residual support = 43.0: T QB ALA 64 - HB3 PHE 72 100.000% *100.0000% (0.51 10.00 3.52 43.05) = 100.000% kept Peak 2882 (4.02, 2.83, 40.30 ppm): 8 chemical-shift based assignments, quality = 0.665, support = 0.733, residual support = 16.1: HA VAL 70 - HB2 PHE 72 12.500% * 47.2661% (0.75 1.00 0.94 33.76) = 47.266% kept HA GLN 116 - HB2 PHE 72 12.500% * 32.2790% (0.75 1.00 0.64 0.39) = 32.279% kept HB2 SER 37 - HB2 PHE 72 12.500% * 14.1652% (0.38 1.00 0.56 0.13) = 14.165% kept T HA VAL 18 - HB2 PHE 72 12.500% * 4.5550% (0.34 10.00 0.02 0.02) = 4.555% kept HA LYS+ 33 - HB2 PHE 72 12.500% * 0.7016% (0.52 1.00 0.02 0.02) = 0.702% HA GLU- 29 - HB2 PHE 72 12.500% * 0.5030% (0.38 1.00 0.02 0.02) = 0.503% HB2 SER 82 - HB2 PHE 72 12.500% * 0.3664% (0.27 1.00 0.02 0.02) = 0.366% HA1 GLY 16 - HB2 PHE 72 12.500% * 0.1636% (0.12 1.00 0.02 0.02) = 0.164% Peak 2883 (4.03, 2.28, 40.30 ppm): 5 chemical-shift based assignments, quality = 0.514, support = 0.701, residual support = 12.9: HA VAL 70 - HB3 PHE 72 20.000% * 37.7827% (0.40 1.00 1.01 33.76) = 37.783% kept HB2 SER 37 - HB3 PHE 72 20.000% * 32.3882% (0.79 1.00 0.43 0.13) = 32.388% kept HA GLN 116 - HB3 PHE 72 20.000% * 26.0178% (0.40 1.00 0.69 0.39) = 26.018% kept T HA LYS+ 33 - HB3 PHE 72 20.000% * 2.8383% (0.15 10.00 0.02 0.02) = 2.838% kept HA1 GLY 16 - HB3 PHE 72 20.000% * 0.9730% (0.51 1.00 0.02 0.02) = 0.973% Peak 2884 (6.69, 2.28, 40.30 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 4.37, residual support = 78.8: O T QD PHE 72 - HB3 PHE 72 33.333% * 97.1910% (0.81 10.0 10.00 4.41 78.89) = 97.191% kept HZ PHE 72 - HB3 PHE 72 33.333% * 2.7221% (0.15 1.0 1.00 3.03 78.89) = 2.722% kept QE PHE 45 - HB3 PHE 72 33.333% * 0.0869% (0.73 1.0 1.00 0.02 0.02) = 0.087% Peak 2885 (6.69, 2.83, 40.30 ppm): 3 chemical-shift based assignments, quality = 0.752, support = 4.12, residual support = 78.8: O QD PHE 72 - HB2 PHE 72 33.333% * 97.3021% (0.77 10.0 4.15 78.89) = 97.302% kept HZ PHE 72 - HB2 PHE 72 33.333% * 2.6109% (0.14 1.0 2.91 78.89) = 2.611% kept QE PHE 45 - HB2 PHE 72 33.333% * 0.0870% (0.69 1.0 0.02 0.02) = 0.087% Peak 2886 (9.37, 2.83, 40.30 ppm): 2 chemical-shift based assignments, quality = 0.711, support = 4.64, residual support = 78.7: O HN PHE 72 - HB2 PHE 72 50.000% * 99.7506% (0.71 10.0 4.65 78.89) = 99.751% kept HN LEU 104 - HB2 PHE 72 50.000% * 0.2494% (0.34 1.0 0.10 0.29) = 0.249% Peak 2887 (2.03, 5.57, 52.40 ppm): 11 chemical-shift based assignments, quality = 0.746, support = 0.541, residual support = 0.745: HG3 GLN 30 - HA LEU 73 9.091% * 42.2209% (0.99 0.55 0.60) = 42.221% kept HB VAL 108 - HA LEU 73 9.091% * 25.8287% (0.44 0.75 1.30) = 25.829% kept HB2 GLN 30 - HA LEU 73 9.091% * 25.6309% (0.73 0.45 0.60) = 25.631% kept HB3 GLU- 100 - HA LEU 73 9.091% * 1.2732% (0.81 0.02 0.02) = 1.273% kept HB3 PRO 68 - HA LEU 73 9.091% * 1.2732% (0.81 0.02 0.02) = 1.273% kept HB ILE 119 - HA LEU 73 9.091% * 1.1347% (0.73 0.02 0.02) = 1.135% kept HB2 LYS+ 111 - HA LEU 73 9.091% * 0.6888% (0.44 0.02 0.13) = 0.689% HB2 ARG+ 54 - HA LEU 73 9.091% * 0.5541% (0.35 0.02 0.02) = 0.554% HB2 GLN 17 - HA LEU 73 9.091% * 0.5541% (0.35 0.02 0.02) = 0.554% QB GLU- 15 - HA LEU 73 9.091% * 0.5541% (0.35 0.02 0.02) = 0.554% HB3 GLU- 25 - HA LEU 73 9.091% * 0.2875% (0.18 0.02 0.02) = 0.288% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2888 (8.49, 5.57, 52.40 ppm): 4 chemical-shift based assignments, quality = 0.647, support = 3.92, residual support = 15.8: O HN LYS+ 74 - HA LEU 73 25.000% * 83.5266% (0.58 10.0 4.45 18.59) = 83.527% kept HN LYS+ 112 - HA LEU 73 25.000% * 10.2868% (1.00 1.0 1.44 2.51) = 10.287% kept HN MET 11 - HA LEU 73 25.000% * 6.1639% (0.95 1.0 0.90 0.02) = 6.164% kept HN THR 46 - HA LEU 73 25.000% * 0.0227% (0.16 1.0 0.02 0.02) = 0.023% Peak 2889 (8.96, 5.57, 52.40 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 5.48, residual support = 114.6: O HN LEU 73 - HA LEU 73 33.333% * 92.5395% (0.73 10.0 5.83 123.80) = 92.540% kept HN LYS+ 106 - HA LEU 73 33.333% * 6.0959% (0.73 1.0 1.32 0.74) = 6.096% kept HN VAL 42 - HA LEU 73 33.333% * 1.3646% (0.73 1.0 0.29 1.44) = 1.365% kept Peak 2890 (8.97, 1.70, 46.21 ppm): 3 chemical-shift based assignments, quality = 0.393, support = 4.62, residual support = 96.4: O HN LEU 73 - HB2 LEU 73 33.333% * 77.7039% (0.24 10.0 5.60 123.80) = 77.704% kept HN LYS+ 106 - HB2 LEU 73 33.333% * 19.7974% (1.00 1.0 1.25 0.74) = 19.797% kept HN VAL 42 - HB2 LEU 73 33.333% * 2.4986% (0.24 1.0 0.64 1.44) = 2.499% kept Peak 2891 (4.68, 1.70, 46.21 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 1.17, residual support = 1.82: HA VAL 43 - HB2 LEU 73 33.333% * 82.4212% (0.73 1.00 1.42 2.21) = 82.421% kept T HA HIS 22 - HB2 LEU 73 33.333% * 16.0221% (1.00 10.00 0.02 0.02) = 16.022% kept HA ASN 69 - HB2 LEU 73 33.333% * 1.5567% (0.97 1.00 0.02 0.02) = 1.557% kept Peak 2892 (8.50, 1.38, 46.21 ppm): 4 chemical-shift based assignments, quality = 0.387, support = 2.27, residual support = 8.87: HN LYS+ 74 - HB3 LEU 73 25.000% * 42.8233% (0.14 4.45 18.59) = 42.823% kept HN LYS+ 112 - HB3 LEU 73 25.000% * 36.1794% (0.68 0.75 2.51) = 36.179% kept HN MET 11 - HB3 LEU 73 25.000% * 15.2826% (0.44 0.49 0.02) = 15.283% kept HN ASP- 78 - HB3 LEU 73 25.000% * 5.7148% (0.28 0.29 0.02) = 5.715% kept Peak 2893 (8.96, 1.44, 27.31 ppm): 12 chemical-shift based assignments, quality = 0.665, support = 3.99, residual support = 91.2: HN LEU 73 - HG LEU 73 8.333% * 73.5028% (0.73 5.18 123.80) = 73.503% kept HN LYS+ 106 - HG LEU 73 8.333% * 10.8080% (0.73 0.76 0.74) = 10.808% kept HN VAL 42 - HG LEU 73 8.333% * 5.9825% (0.73 0.42 1.44) = 5.983% kept HN VAL 42 - HG LEU 40 8.333% * 3.3023% (0.11 1.47 0.84) = 3.302% kept HN LYS+ 106 - HG12 ILE 19 8.333% * 2.1634% (0.15 0.75 0.02) = 2.163% kept HN VAL 42 - HG12 ILE 19 8.333% * 1.6270% (0.15 0.56 0.02) = 1.627% kept HN LEU 73 - HG LEU 80 8.333% * 0.8468% (0.06 0.70 0.02) = 0.847% HN VAL 42 - HG LEU 80 8.333% * 0.6270% (0.06 0.52 0.02) = 0.627% HN LEU 73 - HG12 ILE 19 8.333% * 0.5395% (0.15 0.19 5.71) = 0.540% HN LYS+ 106 - HG LEU 40 8.333% * 0.5314% (0.11 0.24 0.02) = 0.531% HN LEU 73 - HG LEU 40 8.333% * 0.0448% (0.11 0.02 0.02) = 0.045% HN LYS+ 106 - HG LEU 80 8.333% * 0.0242% (0.06 0.02 0.02) = 0.024% Peak 2894 (8.13, 1.44, 27.31 ppm): 8 chemical-shift based assignments, quality = 0.246, support = 1.12, residual support = 2.27: HN LEU 71 - HG LEU 73 12.500% * 63.0127% (0.16 1.46 3.20) = 63.013% kept HN THR 26 - HG LEU 73 12.500% * 18.3754% (0.77 0.09 0.02) = 18.375% kept HN LEU 71 - HG LEU 40 12.500% * 8.8485% (0.03 1.30 0.84) = 8.848% kept HN LEU 71 - HG12 ILE 19 12.500% * 7.8063% (0.03 0.89 2.27) = 7.806% kept HN THR 26 - HG12 ILE 19 12.500% * 0.8572% (0.16 0.02 0.02) = 0.857% HN THR 26 - HG LEU 40 12.500% * 0.6658% (0.12 0.02 0.02) = 0.666% HN THR 26 - HG LEU 80 12.500% * 0.3602% (0.07 0.02 0.02) = 0.360% HN LEU 71 - HG LEU 80 12.500% * 0.0739% (0.01 0.02 0.02) = 0.074% Peak 2895 (8.97, 0.78, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.46, support = 4.67, residual support = 82.9: HN LEU 73 - QD2 LEU 73 16.667% * 66.7802% (0.24 6.67 123.80) = 66.780% kept HN LYS+ 106 - QD2 LEU 73 16.667% * 29.0494% (1.00 0.71 0.74) = 29.049% kept HN VAL 42 - QD2 LEU 73 16.667% * 2.8361% (0.24 0.28 1.44) = 2.836% kept HN LEU 73 - HG3 LYS+ 121 16.667% * 1.1178% (0.05 0.53 0.02) = 1.118% kept HN LYS+ 106 - HG3 LYS+ 121 16.667% * 0.1740% (0.21 0.02 0.02) = 0.174% HN VAL 42 - HG3 LYS+ 121 16.667% * 0.0426% (0.05 0.02 0.02) = 0.043% Peak 2897 (8.50, 0.78, 24.39 ppm): 8 chemical-shift based assignments, quality = 0.468, support = 2.31, residual support = 5.66: HN LYS+ 112 - QD2 LEU 73 12.500% * 54.1110% (0.68 2.08 2.51) = 54.111% kept HN LYS+ 74 - QD2 LEU 73 12.500% * 22.8838% (0.14 4.41 18.59) = 22.884% kept HN MET 11 - QD2 LEU 73 12.500% * 9.3419% (0.44 0.55 0.02) = 9.342% kept HN ASP- 78 - QD2 LEU 73 12.500% * 6.8038% (0.28 0.64 0.02) = 6.804% kept HN LYS+ 112 - HG3 LYS+ 121 12.500% * 6.7205% (0.14 1.22 0.72) = 6.721% kept HN MET 11 - HG3 LYS+ 121 12.500% * 0.0718% (0.09 0.02 0.02) = 0.072% HN ASP- 78 - HG3 LYS+ 121 12.500% * 0.0453% (0.06 0.02 0.02) = 0.045% HN LYS+ 74 - HG3 LYS+ 121 12.500% * 0.0220% (0.03 0.02 0.15) = 0.022% Peak 2898 (8.50, 1.48, 36.69 ppm): 4 chemical-shift based assignments, quality = 0.156, support = 4.01, residual support = 115.3: O HN LYS+ 74 - HB2 LYS+ 74 25.000% * 73.3856% (0.10 10.0 5.12 157.02) = 73.386% kept HN ASP- 78 - HB2 LYS+ 74 25.000% * 10.9225% (0.20 1.0 1.45 0.94) = 10.922% kept HN MET 11 - HB2 LYS+ 74 25.000% * 8.8987% (0.32 1.0 0.74 0.02) = 8.899% kept HN LYS+ 112 - HB2 LYS+ 74 25.000% * 6.7932% (0.49 1.0 0.37 0.02) = 6.793% kept Peak 2899 (8.51, 1.41, 36.69 ppm): 3 chemical-shift based assignments, quality = 0.453, support = 3.1, residual support = 12.0: HN VAL 75 - HB3 LYS+ 74 33.333% * 63.3586% (0.28 4.46 18.48) = 63.359% kept HN ASP- 78 - HB3 LYS+ 74 33.333% * 33.1714% (0.81 0.80 0.94) = 33.171% kept HN LYS+ 112 - HB3 LYS+ 74 33.333% * 3.4700% (0.18 0.37 0.02) = 3.470% kept Peak 2900 (8.52, 1.24, 25.23 ppm): 4 chemical-shift based assignments, quality = 0.796, support = 4.6, residual support = 15.3: HN VAL 75 - HG2 LYS+ 74 25.000% * 81.8816% (0.77 5.42 18.48) = 81.882% kept HN ASP- 78 - HG2 LYS+ 74 25.000% * 16.8315% (0.97 0.88 0.94) = 16.831% kept HN ASP- 78 - HG3 LYS+ 111 25.000% * 1.2659% (0.07 0.96 1.28) = 1.266% kept HN VAL 75 - HG3 LYS+ 111 25.000% * 0.0210% (0.05 0.02 0.02) = 0.021% Peak 2901 (0.45, 3.58, 65.17 ppm): 2 chemical-shift based assignments, quality = 0.768, support = 0.987, residual support = 0.893: QG1 VAL 75 - HA THR 77 50.000% * 98.6356% (0.77 1.00 0.91) = 98.636% kept QD1 LEU 115 - HA THR 77 50.000% * 1.3644% (0.53 0.02 0.02) = 1.364% kept Peak 2902 (8.53, 2.78, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 3.76, residual support = 36.8: O HN ASP- 78 - HB3 ASP- 78 50.000% * 99.9075% (0.92 10.0 3.77 36.84) = 99.907% kept HN VAL 75 - HB3 ASP- 78 50.000% * 0.0925% (0.85 1.0 0.02 2.64) = 0.093% Peak 2903 (8.53, 2.91, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 5.35, residual support = 36.8: O HN ASP- 78 - HB2 ASP- 78 50.000% * 99.9075% (0.92 10.0 5.35 36.84) = 99.907% kept HN VAL 75 - HB2 ASP- 78 50.000% * 0.0925% (0.85 1.0 0.02 2.64) = 0.093% Peak 2904 (2.14, 4.27, 58.55 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 4.42, residual support = 44.1: O T HB3 GLU- 79 - HA GLU- 79 20.000% * 99.3188% (1.00 10.0 10.00 4.45 44.44) = 99.319% kept T HB2 GLN 90 - HA GLU- 79 20.000% * 0.4834% (0.49 1.0 10.00 0.02 0.02) = 0.483% QB GLU- 36 - HA GLU- 79 20.000% * 0.0981% (0.99 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 29 - HA GLU- 79 20.000% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 GLU- 29 - HA GLU- 79 20.000% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 2905 (2.38, 2.14, 31.53 ppm): 10 chemical-shift based assignments, quality = 0.965, support = 3.17, residual support = 43.7: O QG GLU- 79 - HB3 GLU- 79 10.000% * 98.3227% (0.97 10.0 3.22 44.44) = 98.323% kept QG GLN 32 - HB3 GLU- 79 10.000% * 1.4566% (0.68 1.0 0.42 1.44) = 1.457% kept HB2 GLU- 100 - HB3 GLU- 79 10.000% * 0.0589% (0.58 1.0 0.02 0.02) = 0.059% HB2 GLN 116 - HB3 GLU- 79 10.000% * 0.0446% (0.44 1.0 0.02 0.02) = 0.045% QG GLU- 79 - HB2 GLN 90 10.000% * 0.0293% (0.29 1.0 0.02 0.02) = 0.029% HB3 PHE 97 - HB3 GLU- 79 10.000% * 0.0281% (0.28 1.0 0.02 0.02) = 0.028% QG GLN 32 - HB2 GLN 90 10.000% * 0.0205% (0.20 1.0 0.02 0.02) = 0.020% HB2 GLU- 100 - HB2 GLN 90 10.000% * 0.0176% (0.17 1.0 0.02 0.02) = 0.018% HB2 GLN 116 - HB2 GLN 90 10.000% * 0.0133% (0.13 1.0 0.02 0.02) = 0.013% HB3 PHE 97 - HB2 GLN 90 10.000% * 0.0084% (0.08 1.0 0.02 0.02) = 0.008% Peak 2906 (2.90, 2.14, 31.53 ppm): 8 chemical-shift based assignments, quality = 0.764, support = 3.04, residual support = 10.2: HB2 ASP- 78 - HB3 GLU- 79 12.500% * 61.9138% (0.68 4.35 16.18) = 61.914% kept HB2 ASP- 76 - HB3 GLU- 79 12.500% * 22.1522% (1.00 1.06 0.64) = 22.152% kept HB2 ASN 69 - HB3 GLU- 79 12.500% * 12.5154% (0.95 0.63 0.36) = 12.515% kept QE LYS+ 33 - HB3 GLU- 79 12.500% * 3.0735% (0.14 1.08 0.32) = 3.073% kept HB2 ASP- 76 - HB2 GLN 90 12.500% * 0.1246% (0.30 0.02 0.02) = 0.125% HB2 ASN 69 - HB2 GLN 90 12.500% * 0.1187% (0.28 0.02 0.02) = 0.119% HB2 ASP- 78 - HB2 GLN 90 12.500% * 0.0849% (0.20 0.02 0.02) = 0.085% QE LYS+ 33 - HB2 GLN 90 12.500% * 0.0169% (0.04 0.02 0.02) = 0.017% Peak 2907 (4.26, 2.14, 31.53 ppm): 18 chemical-shift based assignments, quality = 0.719, support = 4.41, residual support = 44.0: O T HA GLU- 79 - HB3 GLU- 79 5.556% * 99.0584% (0.73 10.0 10.00 4.45 44.44) = 99.058% kept T HA GLU- 79 - HB2 GLN 90 5.556% * 0.2954% (0.22 1.0 10.00 0.02 0.02) = 0.295% HA ALA 57 - HB3 GLU- 79 5.556% * 0.1325% (0.97 1.0 1.00 0.02 0.02) = 0.133% HA1 GLY 51 - HB3 GLU- 79 5.556% * 0.1259% (0.92 1.0 1.00 0.02 0.02) = 0.126% HA THR 39 - HB3 GLU- 79 5.556% * 0.1112% (0.81 1.0 1.00 0.02 0.02) = 0.111% HA ALA 57 - HB2 GLN 90 5.556% * 0.0395% (0.29 1.0 1.00 0.02 0.02) = 0.040% HA ILE 103 - HB3 GLU- 79 5.556% * 0.0379% (0.28 1.0 1.00 0.02 0.02) = 0.038% HA1 GLY 51 - HB2 GLN 90 5.556% * 0.0375% (0.28 1.0 1.00 0.02 0.02) = 0.038% HA THR 39 - HB2 GLN 90 5.556% * 0.0331% (0.24 1.0 1.00 0.02 0.02) = 0.033% HA SER 85 - HB3 GLU- 79 5.556% * 0.0251% (0.18 1.0 1.00 0.02 0.02) = 0.025% HB THR 77 - HB3 GLU- 79 5.556% * 0.0251% (0.18 1.0 1.00 0.02 0.02) = 0.025% HA SER 117 - HB3 GLU- 79 5.556% * 0.0216% (0.16 1.0 1.00 0.02 0.02) = 0.022% HA ASP- 44 - HB3 GLU- 79 5.556% * 0.0185% (0.14 1.0 1.00 0.02 0.02) = 0.018% HA ILE 103 - HB2 GLN 90 5.556% * 0.0113% (0.08 1.0 1.00 0.02 0.86) = 0.011% HB THR 77 - HB2 GLN 90 5.556% * 0.0075% (0.05 1.0 1.00 0.02 0.16) = 0.007% HA SER 85 - HB2 GLN 90 5.556% * 0.0075% (0.05 1.0 1.00 0.02 0.02) = 0.007% HA SER 117 - HB2 GLN 90 5.556% * 0.0064% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 44 - HB2 GLN 90 5.556% * 0.0055% (0.04 1.0 1.00 0.02 0.02) = 0.006% Peak 2908 (4.47, 2.14, 31.53 ppm): 12 chemical-shift based assignments, quality = 0.193, support = 3.55, residual support = 68.5: O T HA GLN 90 - HB2 GLN 90 8.333% * 88.8034% (0.19 10.0 10.00 3.78 75.42) = 88.803% kept HA ALA 91 - HB2 GLN 90 8.333% * 6.9106% (0.11 1.0 1.00 2.77 22.21) = 6.911% kept T HA GLN 90 - HB3 GLU- 79 8.333% * 2.9782% (0.63 1.0 10.00 0.02 0.02) = 2.978% kept HA ALA 110 - HB3 GLU- 79 8.333% * 0.3643% (0.77 1.0 1.00 0.02 0.02) = 0.364% HA VAL 107 - HB3 GLU- 79 8.333% * 0.2522% (0.53 1.0 1.00 0.02 0.02) = 0.252% HA PHE 55 - HB3 GLU- 79 8.333% * 0.1873% (0.40 1.0 1.00 0.02 0.02) = 0.187% HA ALA 91 - HB3 GLU- 79 8.333% * 0.1674% (0.35 1.0 1.00 0.02 0.02) = 0.167% HA ALA 110 - HB2 GLN 90 8.333% * 0.1086% (0.23 1.0 1.00 0.02 0.02) = 0.109% HA VAL 107 - HB2 GLN 90 8.333% * 0.0752% (0.16 1.0 1.00 0.02 0.02) = 0.075% HA TRP 27 - HB3 GLU- 79 8.333% * 0.0747% (0.16 1.0 1.00 0.02 0.02) = 0.075% HA PHE 55 - HB2 GLN 90 8.333% * 0.0558% (0.12 1.0 1.00 0.02 0.02) = 0.056% HA TRP 27 - HB2 GLN 90 8.333% * 0.0223% (0.05 1.0 1.00 0.02 0.85) = 0.022% Peak 2909 (2.90, 2.31, 31.53 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 2.96, residual support = 10.2: HB2 ASP- 78 - HB2 GLU- 79 25.000% * 61.8166% (0.68 4.23 16.18) = 61.817% kept HB2 ASP- 76 - HB2 GLU- 79 25.000% * 22.4952% (1.00 1.05 0.64) = 22.495% kept HB2 ASN 69 - HB2 GLU- 79 25.000% * 12.8741% (0.95 0.63 0.36) = 12.874% kept QE LYS+ 33 - HB2 GLU- 79 25.000% * 2.8141% (0.14 0.97 0.32) = 2.814% kept Peak 2910 (8.07, 2.31, 31.53 ppm): 5 chemical-shift based assignments, quality = 0.588, support = 3.17, residual support = 11.4: HN LEU 80 - HB2 GLU- 79 20.000% * 53.7868% (0.49 4.66 18.81) = 53.787% kept HN ALA 34 - HB2 GLU- 79 20.000% * 26.0697% (0.63 1.74 3.80) = 26.070% kept HN GLN 32 - HB2 GLU- 79 20.000% * 19.8599% (0.81 1.03 1.44) = 19.860% kept HN SER 85 - HB2 GLU- 79 20.000% * 0.1680% (0.35 0.02 0.02) = 0.168% HN CYS 53 - HB2 GLU- 79 20.000% * 0.1155% (0.24 0.02 0.02) = 0.116% Peak 2911 (8.07, 2.14, 31.53 ppm): 10 chemical-shift based assignments, quality = 0.578, support = 3.36, residual support = 10.5: HN LEU 80 - HB3 GLU- 79 10.000% * 47.7290% (0.49 4.77 18.81) = 47.729% kept HN ALA 34 - HB3 GLU- 79 10.000% * 34.9961% (0.63 2.70 3.80) = 34.996% kept HN GLN 32 - HB3 GLU- 79 10.000% * 14.7442% (0.81 0.88 1.44) = 14.744% kept HN CYS 53 - HB3 GLU- 79 10.000% * 2.0749% (0.24 0.41 0.02) = 2.075% kept HN SER 85 - HB3 GLU- 79 10.000% * 0.1457% (0.35 0.02 0.02) = 0.146% HN GLN 32 - HB2 GLN 90 10.000% * 0.0998% (0.24 0.02 0.02) = 0.100% HN ALA 34 - HB2 GLN 90 10.000% * 0.0773% (0.19 0.02 0.02) = 0.077% HN LEU 80 - HB2 GLN 90 10.000% * 0.0596% (0.15 0.02 0.02) = 0.060% HN SER 85 - HB2 GLN 90 10.000% * 0.0434% (0.11 0.02 0.02) = 0.043% HN CYS 53 - HB2 GLN 90 10.000% * 0.0299% (0.07 0.02 0.02) = 0.030% Peak 2912 (8.61, 2.14, 31.53 ppm): 6 chemical-shift based assignments, quality = 0.158, support = 5.03, residual support = 70.5: O HN GLN 90 - HB2 GLN 90 16.667% * 93.4808% (0.15 10.0 5.37 75.42) = 93.481% kept HN ILE 103 - HB2 GLN 90 16.667% * 2.4423% (0.22 1.0 0.35 0.86) = 2.442% kept HN ILE 103 - HB3 GLU- 79 16.667% * 2.3052% (0.73 1.0 0.10 0.02) = 2.305% kept HN GLY 109 - HB2 GLN 90 16.667% * 0.9076% (0.25 1.0 0.11 0.02) = 0.908% HN GLY 109 - HB3 GLU- 79 16.667% * 0.5506% (0.85 1.0 0.02 0.02) = 0.551% HN GLN 90 - HB3 GLU- 79 16.667% * 0.3135% (0.49 1.0 0.02 0.02) = 0.314% Peak 2913 (8.07, 2.38, 37.37 ppm): 5 chemical-shift based assignments, quality = 0.586, support = 3.13, residual support = 10.4: HN LEU 80 - QG GLU- 79 20.000% * 47.5398% (0.49 4.64 18.81) = 47.540% kept HN ALA 34 - QG GLU- 79 20.000% * 30.5525% (0.63 2.30 3.80) = 30.552% kept HN GLN 32 - QG GLU- 79 20.000% * 19.0045% (0.81 1.11 1.44) = 19.004% kept HN CYS 53 - QG GLU- 79 20.000% * 2.7540% (0.24 0.54 0.02) = 2.754% kept HN SER 85 - QG GLU- 79 20.000% * 0.1493% (0.35 0.02 0.02) = 0.149% Peak 2914 (8.06, 4.27, 58.55 ppm): 4 chemical-shift based assignments, quality = 0.436, support = 3.61, residual support = 11.6: O HN LEU 80 - HA GLU- 79 25.000% * 57.2168% (0.16 10.0 4.88 18.81) = 57.217% kept HN GLN 32 - HA GLU- 79 25.000% * 32.0707% (1.00 1.0 1.78 1.44) = 32.071% kept HN ALA 34 - HA GLU- 79 25.000% * 10.4336% (0.24 1.0 2.37 3.80) = 10.434% kept HN SER 85 - HA GLU- 79 25.000% * 0.2789% (0.77 1.0 0.02 0.02) = 0.279% Peak 2915 (1.40, 0.59, 24.39 ppm): 12 chemical-shift based assignments, quality = 0.69, support = 3.91, residual support = 53.3: O HB2 LEU 80 - QD2 LEU 80 8.333% * 78.0616% (0.81 10.0 1.00 3.92 54.12) = 78.062% kept O HG LEU 80 - QD2 LEU 80 8.333% * 20.3585% (0.21 10.0 1.00 4.17 54.12) = 20.358% kept QB LEU 98 - QD2 LEU 80 8.333% * 1.0890% (0.95 1.0 1.00 0.24 0.02) = 1.089% kept T HB3 LEU 73 - QD2 LEU 80 8.333% * 0.1297% (0.14 1.0 10.00 0.02 0.02) = 0.130% HB3 LYS+ 74 - QD2 LEU 80 8.333% * 0.0931% (0.97 1.0 1.00 0.02 0.02) = 0.093% HD3 LYS+ 121 - QD2 LEU 80 8.333% * 0.0910% (0.95 1.0 1.00 0.02 0.02) = 0.091% QB ALA 12 - QD2 LEU 80 8.333% * 0.0650% (0.68 1.0 1.00 0.02 0.02) = 0.065% HG12 ILE 19 - QD2 LEU 80 8.333% * 0.0302% (0.31 1.0 1.00 0.02 0.02) = 0.030% HG3 LYS+ 33 - QD2 LEU 80 8.333% * 0.0234% (0.24 1.0 1.00 0.02 1.48) = 0.023% QB ALA 110 - QD2 LEU 80 8.333% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 65 - QD2 LEU 80 8.333% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB VAL 42 - QD2 LEU 80 8.333% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 2916 (4.82, 0.59, 24.39 ppm): 5 chemical-shift based assignments, quality = 0.827, support = 3.97, residual support = 32.3: HA LEU 80 - QD2 LEU 80 20.000% * 58.2627% (0.81 5.65 54.12) = 58.263% kept HA THR 23 - QD2 LEU 80 20.000% * 23.7183% (0.99 1.90 1.52) = 23.718% kept HB THR 23 - QD2 LEU 80 20.000% * 12.4966% (0.63 1.57 1.52) = 12.497% kept HA ASP- 78 - QD2 LEU 80 20.000% * 5.4426% (0.73 0.59 3.49) = 5.443% kept HA ASP- 105 - QD2 LEU 80 20.000% * 0.0797% (0.31 0.02 0.02) = 0.080% Peak 2917 (7.32, 0.59, 24.39 ppm): 5 chemical-shift based assignments, quality = 0.655, support = 3.0, residual support = 7.55: HE3 TRP 27 - QD2 LEU 80 20.000% * 50.8244% (0.89 3.02 5.44) = 50.824% kept HN LYS+ 81 - QD2 LEU 80 20.000% * 22.9323% (0.24 4.98 19.64) = 22.932% kept QD PHE 55 - QD2 LEU 80 20.000% * 13.3708% (0.81 0.87 0.90) = 13.371% kept HN THR 23 - QD2 LEU 80 20.000% * 10.0342% (0.28 1.91 1.52) = 10.034% kept QE PHE 95 - QD2 LEU 80 20.000% * 2.8383% (0.31 0.48 0.29) = 2.838% kept Peak 2918 (9.19, 0.59, 24.39 ppm): 1 chemical-shift based assignment, quality = 0.184, support = 1.54, residual support = 2.27: HN VAL 24 - QD2 LEU 80 100.000% *100.0000% (0.18 1.54 2.27) = 100.000% kept Not enough quality. Peak unassigned. Peak 2919 (7.32, 0.56, 25.66 ppm): 10 chemical-shift based assignments, quality = 0.299, support = 1.84, residual support = 8.25: HN LYS+ 81 - QD1 LEU 80 10.000% * 33.2480% (0.13 3.87 19.64) = 33.248% kept QD PHE 55 - QD1 LEU 80 10.000% * 26.6575% (0.44 0.93 0.90) = 26.657% kept HE3 TRP 27 - QD1 LEU 80 10.000% * 23.8973% (0.48 0.76 5.44) = 23.897% kept HN THR 23 - QD1 LEU 80 10.000% * 10.9495% (0.15 1.12 1.52) = 10.950% kept QE PHE 95 - QD1 LEU 80 10.000% * 2.7195% (0.17 0.24 0.29) = 2.720% kept HE3 TRP 27 - QD2 LEU 98 10.000% * 1.8602% (0.27 0.10 0.02) = 1.860% kept QD PHE 55 - QD2 LEU 98 10.000% * 0.3295% (0.25 0.02 0.02) = 0.330% QE PHE 95 - QD2 LEU 98 10.000% * 0.1274% (0.10 0.02 0.02) = 0.127% HN THR 23 - QD2 LEU 98 10.000% * 0.1124% (0.09 0.02 0.02) = 0.112% HN LYS+ 81 - QD2 LEU 98 10.000% * 0.0986% (0.07 0.02 0.02) = 0.099% Peak 2920 (7.30, 1.56, 25.02 ppm): 12 chemical-shift based assignments, quality = 0.723, support = 3.95, residual support = 69.4: HN LYS+ 81 - QG LYS+ 81 8.333% * 82.1528% (0.81 4.60 83.78) = 82.153% kept HN LYS+ 81 - HG2 LYS+ 33 8.333% * 10.9505% (0.36 1.39 5.24) = 10.951% kept HE3 TRP 27 - QG LYS+ 81 8.333% * 2.2593% (0.31 0.33 0.02) = 2.259% kept QD PHE 55 - QG LYS+ 81 8.333% * 2.0917% (0.24 0.39 0.02) = 2.092% kept HN LYS+ 81 - HG2 LYS+ 106 8.333% * 1.1130% (0.18 0.28 0.02) = 1.113% kept HE3 TRP 27 - HG2 LYS+ 33 8.333% * 0.8246% (0.14 0.27 0.02) = 0.825% QD PHE 60 - HG2 LYS+ 33 8.333% * 0.2951% (0.18 0.08 0.02) = 0.295% QD PHE 60 - QG LYS+ 81 8.333% * 0.1739% (0.40 0.02 0.02) = 0.174% QD PHE 55 - HG2 LYS+ 33 8.333% * 0.0473% (0.11 0.02 0.02) = 0.047% QD PHE 60 - HG2 LYS+ 106 8.333% * 0.0381% (0.09 0.02 0.02) = 0.038% HE3 TRP 27 - HG2 LYS+ 106 8.333% * 0.0303% (0.07 0.02 0.02) = 0.030% QD PHE 55 - HG2 LYS+ 106 8.333% * 0.0234% (0.05 0.02 0.02) = 0.023% Peak 2921 (8.00, 1.56, 25.02 ppm): 6 chemical-shift based assignments, quality = 0.475, support = 0.529, residual support = 0.412: HN GLU- 79 - QG LYS+ 81 16.667% * 81.0925% (0.53 0.60 0.45) = 81.093% kept HN GLU- 79 - HG2 LYS+ 33 16.667% * 15.9727% (0.24 0.27 0.32) = 15.973% kept HN VAL 70 - QG LYS+ 81 16.667% * 1.4092% (0.28 0.02 0.02) = 1.409% kept HN VAL 70 - HG2 LYS+ 33 16.667% * 0.6233% (0.12 0.02 0.02) = 0.623% HN GLU- 79 - HG2 LYS+ 106 16.667% * 0.5933% (0.12 0.02 0.02) = 0.593% HN VAL 70 - HG2 LYS+ 106 16.667% * 0.3089% (0.06 0.02 0.02) = 0.309% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2922 (7.32, 1.87, 32.96 ppm): 5 chemical-shift based assignments, quality = 0.354, support = 4.55, residual support = 68.4: O HN LYS+ 81 - QB LYS+ 81 20.000% * 81.6586% (0.24 10.0 5.44 83.78) = 81.659% kept QD PHE 55 - QB LYS+ 81 20.000% * 9.2564% (0.81 1.0 0.68 0.02) = 9.256% kept HE3 TRP 27 - QB LYS+ 81 20.000% * 8.8864% (0.89 1.0 0.60 0.02) = 8.886% kept QE PHE 95 - QB LYS+ 81 20.000% * 0.1055% (0.31 1.0 0.02 0.02) = 0.105% HN THR 23 - QB LYS+ 81 20.000% * 0.0931% (0.28 1.0 0.02 0.02) = 0.093% Peak 2923 (7.30, 4.10, 60.05 ppm): 4 chemical-shift based assignments, quality = 0.802, support = 4.82, residual support = 81.8: O HN LYS+ 81 - HA LYS+ 81 25.000% * 97.6663% (0.81 10.0 4.92 83.78) = 97.666% kept HE3 TRP 27 - HA LYS+ 81 25.000% * 1.2174% (0.31 1.0 0.64 0.02) = 1.217% kept QD PHE 55 - HA LYS+ 81 25.000% * 1.0687% (0.24 1.0 0.73 0.02) = 1.069% kept QD PHE 60 - HA LYS+ 81 25.000% * 0.0475% (0.40 1.0 0.02 0.02) = 0.048% Peak 2924 (4.83, 1.56, 25.02 ppm): 9 chemical-shift based assignments, quality = 0.549, support = 2.43, residual support = 8.0: HA LEU 80 - QG LYS+ 81 11.111% * 39.7156% (0.24 4.64 19.64) = 39.716% kept HA ASP- 78 - QG LYS+ 81 11.111% * 35.2964% (0.97 1.04 0.38) = 35.296% kept HA ASP- 78 - HG2 LYS+ 33 11.111% * 16.9136% (0.43 1.12 0.14) = 16.914% kept HA THR 23 - QG LYS+ 81 11.111% * 4.9945% (0.68 0.21 0.02) = 4.995% kept HA LEU 80 - HG2 LYS+ 33 11.111% * 2.5777% (0.11 0.68 1.48) = 2.578% kept HA THR 23 - HG2 LYS+ 33 11.111% * 0.2108% (0.30 0.02 0.02) = 0.211% HA ASP- 78 - HG2 LYS+ 106 11.111% * 0.1495% (0.21 0.02 0.02) = 0.149% HA THR 23 - HG2 LYS+ 106 11.111% * 0.1044% (0.15 0.02 0.02) = 0.104% HA LEU 80 - HG2 LYS+ 106 11.111% * 0.0375% (0.05 0.02 0.02) = 0.038% Peak 2925 (9.48, 3.99, 61.93 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2926 (8.66, 3.85, 61.93 ppm): 3 chemical-shift based assignments, quality = 0.276, support = 3.34, residual support = 25.8: O HN SER 82 - HB3 SER 82 33.333% * 99.3059% (0.28 10.0 3.37 26.02) = 99.306% kept HN SER 117 - HB3 SER 82 33.333% * 0.3470% (0.97 1.0 0.02 0.02) = 0.347% HN GLY 16 - HB3 SER 82 33.333% * 0.3470% (0.97 1.0 0.02 0.02) = 0.347% Peak 2927 (6.62, 3.99, 61.93 ppm): 12 chemical-shift based assignments, quality = 0.325, support = 3.52, residual support = 13.4: O HN TRP 49 - HA SER 48 8.333% * 88.6279% (0.34 10.0 3.65 14.18) = 88.628% kept HN VAL 83 - HB2 SER 82 8.333% * 6.3088% (0.12 1.0 3.92 13.60) = 6.309% kept HN CYS 50 - HA SER 48 8.333% * 4.0702% (0.30 1.0 1.07 0.02) = 4.070% kept HN TRP 49 - HB2 SER 82 8.333% * 0.6667% (0.63 1.0 0.08 0.02) = 0.667% HN CYS 50 - HB2 SER 82 8.333% * 0.1384% (0.54 1.0 0.02 0.02) = 0.138% HE22 GLN 30 - HB2 SER 82 8.333% * 0.0505% (0.20 1.0 0.02 0.02) = 0.051% HN TRP 49 - HA VAL 70 8.333% * 0.0388% (0.15 1.0 0.02 0.02) = 0.039% HN CYS 50 - HA VAL 70 8.333% * 0.0333% (0.13 1.0 0.02 0.02) = 0.033% HE22 GLN 30 - HA SER 48 8.333% * 0.0277% (0.11 1.0 0.02 0.02) = 0.028% HN VAL 83 - HA SER 48 8.333% * 0.0177% (0.07 1.0 0.02 0.02) = 0.018% HE22 GLN 30 - HA VAL 70 8.333% * 0.0122% (0.05 1.0 0.02 0.02) = 0.012% HN VAL 83 - HA VAL 70 8.333% * 0.0077% (0.03 1.0 0.02 0.02) = 0.008% Peak 2928 (8.66, 3.99, 61.93 ppm): 9 chemical-shift based assignments, quality = 0.253, support = 3.89, residual support = 25.7: O HN SER 82 - HB2 SER 82 11.111% * 98.6876% (0.26 10.0 3.94 26.02) = 98.688% kept HN SER 117 - HB2 SER 82 11.111% * 0.3449% (0.90 1.0 0.02 0.02) = 0.345% HN GLY 16 - HB2 SER 82 11.111% * 0.3449% (0.90 1.0 0.02 0.02) = 0.345% HN GLY 16 - HA SER 48 11.111% * 0.1894% (0.49 1.0 0.02 0.02) = 0.189% HN SER 117 - HA SER 48 11.111% * 0.1894% (0.49 1.0 0.02 0.02) = 0.189% HN GLY 16 - HA VAL 70 11.111% * 0.0830% (0.22 1.0 0.02 0.02) = 0.083% HN SER 117 - HA VAL 70 11.111% * 0.0830% (0.22 1.0 0.02 0.02) = 0.083% HN SER 82 - HA SER 48 11.111% * 0.0542% (0.14 1.0 0.02 0.02) = 0.054% HN SER 82 - HA VAL 70 11.111% * 0.0237% (0.06 1.0 0.02 0.02) = 0.024% Peak 2929 (7.56, 1.66, 32.03 ppm): 3 chemical-shift based assignments, quality = 0.299, support = 5.03, residual support = 31.5: HN ALA 84 - HB VAL 83 33.333% * 98.6790% (0.30 5.10 31.89) = 98.679% kept HE21 GLN 32 - HB VAL 83 33.333% * 0.9337% (0.73 0.02 0.02) = 0.934% HN LYS+ 111 - HB VAL 83 33.333% * 0.3873% (0.30 0.02 0.02) = 0.387% Peak 2930 (6.60, 1.66, 32.03 ppm): 3 chemical-shift based assignments, quality = 0.538, support = 4.68, residual support = 74.5: O HN VAL 83 - HB VAL 83 33.333% * 99.8167% (0.54 10.0 4.69 74.65) = 99.817% kept HN CYS 50 - HB VAL 83 33.333% * 0.1582% (0.85 1.0 0.02 0.02) = 0.158% HN TRP 49 - HB VAL 83 33.333% * 0.0251% (0.14 1.0 0.02 0.02) = 0.025% Peak 2931 (7.61, 3.68, 55.33 ppm): 5 chemical-shift based assignments, quality = 0.74, support = 0.02, residual support = 0.0283: HZ2 TRP 87 - HA ALA 84 20.000% * 36.3047% (0.95 0.02 0.02) = 36.305% kept HD21 ASN 28 - HA ALA 84 20.000% * 34.6032% (0.90 0.02 0.02) = 34.603% kept QE PHE 60 - HA ALA 84 20.000% * 14.4450% (0.38 0.02 0.02) = 14.445% kept HN LEU 63 - HA ALA 84 20.000% * 8.8813% (0.23 0.02 0.11) = 8.881% kept HN ILE 56 - HA ALA 84 20.000% * 5.7658% (0.15 0.02 0.02) = 5.766% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2932 (6.69, 3.68, 55.33 ppm): 3 chemical-shift based assignments, quality = 0.776, support = 0.486, residual support = 0.301: QD PHE 72 - HA ALA 84 33.333% * 62.7462% (0.90 0.58 0.26) = 62.746% kept QE PHE 45 - HA ALA 84 33.333% * 23.7491% (0.73 0.27 0.45) = 23.749% kept HZ PHE 72 - HA ALA 84 33.333% * 13.5047% (0.26 0.43 0.26) = 13.505% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2933 (1.74, 3.68, 55.33 ppm): 3 chemical-shift based assignments, quality = 0.85, support = 1.43, residual support = 12.3: HB ILE 89 - HA ALA 84 33.333% * 94.4230% (0.88 1.50 13.06) = 94.423% kept HB3 LYS+ 99 - HA ALA 84 33.333% * 5.1474% (0.42 0.17 0.02) = 5.147% kept QG1 ILE 56 - HA ALA 84 33.333% * 0.4296% (0.30 0.02 0.02) = 0.430% Peak 2934 (0.10, 3.68, 55.33 ppm): 3 chemical-shift based assignments, quality = 0.74, support = 3.45, residual support = 19.9: QD1 ILE 89 - HA ALA 84 33.333% * 63.7221% (0.85 3.62 13.06) = 63.722% kept QG2 VAL 83 - HA ALA 84 33.333% * 36.2244% (0.55 3.15 31.89) = 36.224% kept QD2 LEU 31 - HA ALA 84 33.333% * 0.0535% (0.13 0.02 0.02) = 0.053% Peak 2935 (-0.06, 3.68, 55.33 ppm): 1 chemical-shift based assignment, quality = 0.419, support = 2.96, residual support = 13.1: HG13 ILE 89 - HA ALA 84 100.000% *100.0000% (0.42 2.96 13.06) = 100.000% kept Peak 2936 (0.10, 1.35, 18.25 ppm): 3 chemical-shift based assignments, quality = 0.698, support = 3.31, residual support = 18.6: QD1 ILE 89 - QB ALA 84 33.333% * 59.2148% (0.85 1.00 3.69 13.06) = 59.215% kept QG2 VAL 83 - QB ALA 84 33.333% * 34.0233% (0.55 1.00 3.24 31.89) = 34.023% kept T QD2 LEU 31 - QB ALA 84 33.333% * 6.7619% (0.13 10.00 0.28 0.02) = 6.762% kept Peak 2937 (-0.06, 1.35, 18.25 ppm): 1 chemical-shift based assignment, quality = 0.419, support = 2.98, residual support = 13.1: HG13 ILE 89 - QB ALA 84 100.000% *100.0000% (0.42 2.98 13.06) = 100.000% kept Peak 2938 (6.86, 1.35, 18.25 ppm): 1 chemical-shift based assignment, quality = 0.812, support = 0.447, residual support = 0.447: QD PHE 45 - QB ALA 84 100.000% *100.0000% (0.81 0.45 0.45) = 100.000% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2939 (6.64, 1.35, 18.25 ppm): 3 chemical-shift based assignments, quality = 0.577, support = 0.0575, residual support = 0.02: HN TRP 49 - QB ALA 84 33.333% * 59.8847% (0.46 0.08 0.02) = 59.885% kept HE22 GLN 30 - QB ALA 84 33.333% * 28.3011% (0.90 0.02 0.02) = 28.301% kept HD22 ASN 69 - QB ALA 84 33.333% * 11.8142% (0.38 0.02 0.02) = 11.814% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2940 (8.05, 3.96, 63.04 ppm): 4 chemical-shift based assignments, quality = 0.985, support = 3.05, residual support = 14.6: O HN SER 85 - QB SER 85 25.000% * 98.5913% (0.99 10.0 3.09 14.81) = 98.591% kept HN GLN 32 - QB SER 85 25.000% * 1.3735% (0.81 1.0 0.34 0.02) = 1.374% kept HN SER 85 - QB SER 48 25.000% * 0.0193% (0.19 1.0 0.02 0.02) = 0.019% HN GLN 32 - QB SER 48 25.000% * 0.0159% (0.16 1.0 0.02 0.02) = 0.016% Peak 2941 (8.30, 3.96, 63.04 ppm): 6 chemical-shift based assignments, quality = 0.817, support = 2.65, residual support = 7.58: HN ASP- 86 - QB SER 85 16.667% * 78.2684% (0.81 3.27 9.64) = 78.268% kept HN GLN 30 - QB SER 85 16.667% * 11.7385% (0.73 0.55 0.31) = 11.739% kept HN GLU- 29 - QB SER 85 16.667% * 9.7039% (0.97 0.34 0.02) = 9.704% kept HN GLU- 29 - QB SER 48 16.667% * 0.1118% (0.19 0.02 0.02) = 0.112% HN ASP- 86 - QB SER 48 16.667% * 0.0938% (0.16 0.02 0.02) = 0.094% HN GLN 30 - QB SER 48 16.667% * 0.0836% (0.14 0.02 0.02) = 0.084% Peak 2942 (8.67, 3.96, 63.04 ppm): 4 chemical-shift based assignments, quality = 0.537, support = 0.02, residual support = 0.02: HN SER 117 - QB SER 85 25.000% * 52.0431% (0.73 0.02 0.02) = 52.043% kept HN GLY 16 - QB SER 85 25.000% * 31.5910% (0.44 0.02 0.02) = 31.591% kept HN SER 117 - QB SER 48 25.000% * 10.1840% (0.14 0.02 0.02) = 10.184% kept HN GLY 16 - QB SER 48 25.000% * 6.1819% (0.09 0.02 0.02) = 6.182% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2943 (8.05, 4.28, 61.37 ppm): 2 chemical-shift based assignments, quality = 0.985, support = 2.9, residual support = 14.6: O HN SER 85 - HA SER 85 50.000% * 98.8457% (0.99 10.0 2.94 14.81) = 98.846% kept HN GLN 32 - HA SER 85 50.000% * 1.1543% (0.81 1.0 0.28 0.02) = 1.154% kept Peak 2944 (8.31, 2.44, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.916, support = 3.29, residual support = 35.3: O HN ASP- 86 - HB3 ASP- 86 16.667% * 95.9861% (0.92 10.0 3.41 36.70) = 95.986% kept HN GLN 30 - HB3 ASP- 86 16.667% * 2.4684% (0.97 1.0 0.49 0.79) = 2.468% kept HN GLU- 29 - HB3 ASP- 86 16.667% * 1.4110% (0.44 1.0 0.62 0.18) = 1.411% kept HN GLU- 14 - HB3 ASP- 86 16.667% * 0.0605% (0.58 1.0 0.02 0.02) = 0.061% HE1 HIS 122 - HB3 ASP- 86 16.667% * 0.0412% (0.40 1.0 0.02 0.02) = 0.041% HN LYS+ 99 - HB3 ASP- 86 16.667% * 0.0328% (0.31 1.0 0.02 0.02) = 0.033% Peak 2945 (8.32, 2.94, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.382, support = 4.2, residual support = 32.1: O HN ASP- 86 - HB2 ASP- 86 20.000% * 87.4152% (0.35 10.0 4.65 36.70) = 87.415% kept HN GLN 30 - HB2 ASP- 86 20.000% * 8.0311% (0.44 1.0 1.48 0.79) = 8.031% kept HN LYS+ 99 - HB2 ASP- 86 20.000% * 4.0730% (0.89 1.0 0.37 0.02) = 4.073% kept HN GLU- 14 - HB2 ASP- 86 20.000% * 0.2465% (1.00 1.0 0.02 0.02) = 0.247% HE1 HIS 122 - HB2 ASP- 86 20.000% * 0.2342% (0.95 1.0 0.02 0.02) = 0.234% Peak 2946 (7.73, 2.94, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 13.6: HE3 TRP 87 - HB2 ASP- 86 16.667% * 59.4900% (0.49 3.37 15.44) = 59.490% kept HD1 TRP 87 - HB2 ASP- 86 16.667% * 28.5977% (0.24 3.23 15.44) = 28.598% kept HN ALA 61 - HB2 ASP- 86 16.667% * 10.3516% (0.85 0.33 0.02) = 10.352% kept HN TRP 27 - HB2 ASP- 86 16.667% * 0.6893% (0.95 0.02 0.02) = 0.689% HN ALA 91 - HB2 ASP- 86 16.667% * 0.6697% (0.92 0.02 0.02) = 0.670% HN THR 39 - HB2 ASP- 86 16.667% * 0.2017% (0.28 0.02 0.02) = 0.202% Peak 2947 (3.83, 2.94, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.888, support = 0.706, residual support = 0.577: HA GLN 30 - HB2 ASP- 86 20.000% * 40.0940% (0.95 0.82 0.79) = 40.094% kept HD3 PRO 52 - HB2 ASP- 86 20.000% * 34.6944% (0.89 0.75 0.47) = 34.694% kept HB2 CYS 53 - HB2 ASP- 86 20.000% * 22.2084% (0.85 0.50 0.44) = 22.208% kept HB3 SER 82 - HB2 ASP- 86 20.000% * 2.8397% (0.28 0.20 0.02) = 2.840% kept HD2 PRO 58 - HB2 ASP- 86 20.000% * 0.1635% (0.16 0.02 0.02) = 0.164% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2948 (8.32, 4.30, 57.50 ppm): 5 chemical-shift based assignments, quality = 0.413, support = 3.55, residual support = 31.9: O HN ASP- 86 - HA ASP- 86 20.000% * 86.8958% (0.35 10.0 3.95 36.70) = 86.896% kept HN LYS+ 99 - HA ASP- 86 20.000% * 10.9463% (0.89 1.0 1.00 0.02) = 10.946% kept HN GLN 30 - HA ASP- 86 20.000% * 1.6800% (0.44 1.0 0.31 0.79) = 1.680% kept HN GLU- 14 - HA ASP- 86 20.000% * 0.2451% (1.00 1.0 0.02 0.02) = 0.245% HE1 HIS 122 - HA ASP- 86 20.000% * 0.2328% (0.95 1.0 0.02 0.02) = 0.233% Peak 2949 (7.72, 4.34, 57.63 ppm): 4 chemical-shift based assignments, quality = 0.965, support = 3.18, residual support = 52.1: HE3 TRP 87 - HA TRP 87 25.000% * 81.8686% (0.99 3.69 63.60) = 81.869% kept HN ALA 61 - HA TRP 87 25.000% * 17.5872% (0.89 0.88 0.21) = 17.587% kept HN ALA 91 - HA TRP 87 25.000% * 0.3660% (0.81 0.02 0.02) = 0.366% HN TRP 27 - HA TRP 87 25.000% * 0.1782% (0.40 0.02 5.71) = 0.178% Peak 2950 (7.72, 3.41, 28.05 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 3.33, residual support = 61.8: O HE3 TRP 87 - HB2 TRP 87 25.000% * 97.2361% (0.99 10.0 3.41 63.60) = 97.236% kept HN ALA 61 - HB2 TRP 87 25.000% * 2.6446% (0.89 1.0 0.60 0.21) = 2.645% kept HN ALA 91 - HB2 TRP 87 25.000% * 0.0802% (0.81 1.0 0.02 0.02) = 0.080% HN TRP 27 - HB2 TRP 87 25.000% * 0.0391% (0.40 1.0 0.02 5.71) = 0.039% Peak 2951 (7.72, 2.50, 28.05 ppm): 4 chemical-shift based assignments, quality = 0.982, support = 2.99, residual support = 60.7: O HE3 TRP 87 - HB3 TRP 87 25.000% * 95.4926% (0.99 10.0 3.09 63.60) = 95.493% kept HN ALA 61 - HB3 TRP 87 25.000% * 4.3903% (0.89 1.0 1.02 0.21) = 4.390% kept HN ALA 91 - HB3 TRP 87 25.000% * 0.0788% (0.81 1.0 0.02 0.02) = 0.079% HN TRP 27 - HB3 TRP 87 25.000% * 0.0384% (0.40 1.0 0.02 5.71) = 0.038% Peak 2952 (0.08, 3.41, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.876, support = 1.97, residual support = 9.94: QD1 ILE 89 - HB2 TRP 87 33.333% * 58.6260% (0.85 2.63 13.09) = 58.626% kept QG2 VAL 83 - HB2 TRP 87 33.333% * 30.7537% (1.00 1.18 6.92) = 30.754% kept QD2 LEU 31 - HB2 TRP 87 33.333% * 10.6203% (0.63 0.65 1.31) = 10.620% kept Peak 2953 (0.11, 2.50, 28.05 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 2.48, residual support = 13.1: T QD1 ILE 89 - HB3 TRP 87 50.000% * 99.9498% (0.31 10.00 2.48 13.09) = 99.950% kept QG2 VAL 75 - HB3 TRP 87 50.000% * 0.0502% (0.16 1.00 0.02 0.02) = 0.050% Peak 2954 (1.25, 2.50, 28.05 ppm): 9 chemical-shift based assignments, quality = 0.763, support = 0.0672, residual support = 0.317: QG2 THR 39 - HB3 TRP 87 11.111% * 43.4896% (0.81 0.11 0.02) = 43.490% kept QG2 ILE 56 - HB3 TRP 87 11.111% * 10.1180% (0.28 0.08 2.55) = 10.118% kept HG13 ILE 19 - HB3 TRP 87 11.111% * 9.2589% (1.00 0.02 0.02) = 9.259% kept HG3 LYS+ 99 - HB3 TRP 87 11.111% * 8.2779% (0.89 0.02 0.02) = 8.278% kept HG2 LYS+ 74 - HB3 TRP 87 11.111% * 7.9406% (0.85 0.02 0.02) = 7.941% kept QB ALA 91 - HB3 TRP 87 11.111% * 7.5684% (0.81 0.02 0.02) = 7.568% kept HG LEU 71 - HB3 TRP 87 11.111% * 7.5684% (0.81 0.02 0.02) = 7.568% kept HG3 LYS+ 38 - HB3 TRP 87 11.111% * 4.5212% (0.49 0.02 0.93) = 4.521% kept QB ALA 34 - HB3 TRP 87 11.111% * 1.2571% (0.14 0.02 0.02) = 1.257% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2955 (7.84, 3.98, 52.68 ppm): 5 chemical-shift based assignments, quality = 0.241, support = 1.61, residual support = 9.95: O HN ALA 88 - HA ALA 88 20.000% * 98.6759% (0.24 10.0 1.63 10.08) = 98.676% kept HN PHE 55 - HA ALA 88 20.000% * 0.4040% (0.81 1.0 0.02 0.02) = 0.404% HN LEU 31 - HA ALA 88 20.000% * 0.4040% (0.81 1.0 0.02 0.19) = 0.404% HN ASP- 62 - HA ALA 88 20.000% * 0.3600% (0.73 1.0 0.02 0.02) = 0.360% HN ARG+ 54 - HA ALA 88 20.000% * 0.1562% (0.31 1.0 0.02 0.02) = 0.156% Peak 2956 (7.84, 1.31, 16.77 ppm): 5 chemical-shift based assignments, quality = 0.241, support = 1.85, residual support = 9.96: O HN ALA 88 - QB ALA 88 20.000% * 98.8429% (0.24 10.0 1.87 10.08) = 98.843% kept HN PHE 55 - QB ALA 88 20.000% * 0.3530% (0.81 1.0 0.02 0.02) = 0.353% HN LEU 31 - QB ALA 88 20.000% * 0.3530% (0.81 1.0 0.02 0.19) = 0.353% HN ASP- 62 - QB ALA 88 20.000% * 0.3146% (0.73 1.0 0.02 0.02) = 0.315% HN ARG+ 54 - QB ALA 88 20.000% * 0.1365% (0.31 1.0 0.02 0.02) = 0.136% Peak 2957 (0.10, 3.87, 59.74 ppm): 3 chemical-shift based assignments, quality = 0.864, support = 5.54, residual support = 171.8: QD1 ILE 89 - HA ILE 89 33.333% * 91.4419% (0.89 5.98 187.71) = 91.442% kept QG2 VAL 83 - HA ILE 89 33.333% * 8.5117% (0.58 0.85 1.65) = 8.512% kept QD2 LEU 31 - HA ILE 89 33.333% * 0.0465% (0.14 0.02 0.02) = 0.046% Peak 2958 (8.62, 3.87, 59.74 ppm): 4 chemical-shift based assignments, quality = 0.977, support = 5.55, residual support = 25.4: O HN GLN 90 - HA ILE 89 25.000% * 98.6157% (0.99 10.0 5.62 25.73) = 98.616% kept HN SER 82 - HA ILE 89 25.000% * 1.0236% (0.31 1.0 0.65 0.02) = 1.024% kept HN ILE 103 - HA ILE 89 25.000% * 0.3450% (0.85 1.0 0.08 0.02) = 0.345% HN GLY 109 - HA ILE 89 25.000% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 2959 (7.92, 3.87, 59.74 ppm): 4 chemical-shift based assignments, quality = 0.704, support = 5.24, residual support = 163.7: O HN ILE 89 - HA ILE 89 25.000% * 87.0454% (0.68 10.0 5.85 187.71) = 87.045% kept HN ILE 119 - HA ILE 89 25.000% * 7.5479% (0.92 1.0 1.28 3.32) = 7.548% kept HN CYS 21 - HA ILE 89 25.000% * 5.0629% (0.85 1.0 0.92 0.32) = 5.063% kept HN SER 37 - HA ILE 89 25.000% * 0.3437% (0.44 1.0 0.12 0.02) = 0.344% Peak 2960 (7.73, 3.87, 59.74 ppm): 6 chemical-shift based assignments, quality = 0.859, support = 1.86, residual support = 4.4: HN ALA 91 - HA ILE 89 16.667% * 56.2332% (0.92 2.39 4.78) = 56.233% kept HN TRP 27 - HA ILE 89 16.667% * 31.8719% (0.95 1.32 0.73) = 31.872% kept HD1 TRP 87 - HA ILE 89 16.667% * 7.3381% (0.24 1.18 13.09) = 7.338% kept HE3 TRP 87 - HA ILE 89 16.667% * 3.9797% (0.49 0.32 13.09) = 3.980% kept HN ALA 61 - HA ILE 89 16.667% * 0.4355% (0.85 0.02 0.02) = 0.435% HN THR 39 - HA ILE 89 16.667% * 0.1416% (0.28 0.02 0.02) = 0.142% Peak 2961 (0.10, 1.74, 34.76 ppm): 3 chemical-shift based assignments, quality = 0.635, support = 5.1, residual support = 177.6: O T QD1 ILE 89 - HB ILE 89 33.333% * 94.5868% (0.65 10.0 10.00 5.29 187.71) = 94.587% kept QG2 VAL 83 - HB ILE 89 33.333% * 5.3989% (0.42 1.0 1.00 1.75 1.65) = 5.399% kept QD2 LEU 31 - HB ILE 89 33.333% * 0.0144% (0.10 1.0 1.00 0.02 0.02) = 0.014% Peak 2962 (-0.07, 1.74, 34.76 ppm): 1 chemical-shift based assignment, quality = 0.706, support = 4.97, residual support = 187.7: O T HG13 ILE 89 - HB ILE 89 100.000% *100.0000% (0.71 10.0 10.00 4.97 187.71) = 100.000% kept Peak 2963 (7.92, 1.74, 34.76 ppm): 4 chemical-shift based assignments, quality = 0.52, support = 4.78, residual support = 154.5: O HN ILE 89 - HB ILE 89 25.000% * 82.0780% (0.49 10.0 5.44 187.71) = 82.078% kept HN ILE 119 - HB ILE 89 25.000% * 11.5145% (0.67 1.0 2.06 3.32) = 11.515% kept HN CYS 21 - HB ILE 89 25.000% * 6.0833% (0.62 1.0 1.18 0.32) = 6.083% kept HN SER 37 - HB ILE 89 25.000% * 0.3241% (0.32 1.0 0.12 0.02) = 0.324% Peak 2964 (5.61, 0.63, 17.89 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02: HA LYS+ 106 - QG2 ILE 89 100.000% *100.0000% (0.28 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2965 (7.75, 0.63, 17.89 ppm): 5 chemical-shift based assignments, quality = 0.823, support = 1.08, residual support = 6.15: HD1 TRP 87 - QG2 ILE 89 20.000% * 43.9993% (0.92 1.08 13.09) = 43.999% kept HN GLU- 36 - QG2 ILE 89 20.000% * 42.3310% (0.92 1.04 0.71) = 42.331% kept HN TRP 27 - QG2 ILE 89 20.000% * 12.2459% (0.21 1.31 0.73) = 12.246% kept HN THR 39 - QG2 ILE 89 20.000% * 0.7846% (0.89 0.02 0.02) = 0.785% HN LYS+ 102 - QG2 ILE 89 20.000% * 0.6393% (0.73 0.02 0.02) = 0.639% Peak 2966 (8.63, 0.63, 17.89 ppm): 4 chemical-shift based assignments, quality = 0.529, support = 5.38, residual support = 22.6: HN GLN 90 - QG2 ILE 89 25.000% * 87.8174% (0.49 6.07 25.73) = 87.817% kept HN SER 82 - QG2 ILE 89 25.000% * 11.4058% (0.89 0.43 0.02) = 11.406% kept HN ILE 103 - QG2 ILE 89 25.000% * 0.6674% (0.28 0.08 0.02) = 0.667% HN GLY 16 - QG2 ILE 89 25.000% * 0.1093% (0.18 0.02 0.02) = 0.109% Peak 2967 (3.06, 0.63, 17.89 ppm): 3 chemical-shift based assignments, quality = 0.952, support = 0.869, residual support = 7.03: T HB2 PHE 45 - QG2 ILE 89 33.333% * 94.3925% (0.95 10.00 0.89 7.42) = 94.393% kept QE LYS+ 111 - QG2 ILE 89 33.333% * 5.5191% (1.00 1.00 0.50 0.61) = 5.519% kept HB2 CYS 21 - QG2 ILE 89 33.333% * 0.0884% (0.40 1.00 0.02 0.32) = 0.088% Peak 2968 (2.29, 0.63, 17.89 ppm): 8 chemical-shift based assignments, quality = 0.551, support = 0.461, residual support = 0.464: HG3 GLU- 36 - QG2 ILE 89 12.500% * 57.3271% (0.63 0.57 0.71) = 57.327% kept HG2 MET 92 - QG2 ILE 89 12.500% * 20.8101% (0.63 0.21 0.02) = 20.810% kept HB2 ASP- 44 - QG2 ILE 89 12.500% * 15.0878% (0.16 0.60 0.33) = 15.088% kept QB MET 11 - QG2 ILE 89 12.500% * 2.4594% (0.77 0.02 0.02) = 2.459% kept QG GLU- 114 - QG2 ILE 89 12.500% * 1.7022% (0.53 0.02 0.02) = 1.702% kept HB2 GLU- 79 - QG2 ILE 89 12.500% * 1.4048% (0.44 0.02 0.02) = 1.405% kept QG GLU- 15 - QG2 ILE 89 12.500% * 0.7772% (0.24 0.02 0.02) = 0.777% QG GLU- 14 - QG2 ILE 89 12.500% * 0.4313% (0.14 0.02 0.02) = 0.431% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 2969 (2.44, 0.63, 17.89 ppm): 6 chemical-shift based assignments, quality = 0.381, support = 1.21, residual support = 6.9: T HB3 PHE 45 - QG2 ILE 89 16.667% * 93.0497% (0.35 10.00 1.29 7.42) = 93.050% kept HB3 ASP- 86 - QG2 ILE 89 16.667% * 4.4690% (1.00 1.00 0.22 0.02) = 4.469% kept QE LYS+ 112 - QG2 ILE 89 16.667% * 1.7324% (0.35 1.00 0.24 0.02) = 1.732% kept HG2 GLU- 29 - QG2 ILE 89 16.667% * 0.3863% (0.95 1.00 0.02 0.02) = 0.386% HB3 ASP- 62 - QG2 ILE 89 16.667% * 0.2761% (0.68 1.00 0.02 0.02) = 0.276% HG3 MET 96 - QG2 ILE 89 16.667% * 0.0864% (0.21 1.00 0.02 4.07) = 0.086% Peak 2970 (1.34, 0.63, 17.89 ppm): 12 chemical-shift based assignments, quality = 0.621, support = 1.68, residual support = 3.36: HG2 LYS+ 111 - QG2 ILE 89 8.333% * 25.0964% (0.95 1.12 0.61) = 25.096% kept HB3 ASP- 44 - QG2 ILE 89 8.333% * 23.4214% (0.81 1.22 0.33) = 23.421% kept QB ALA 84 - QG2 ILE 89 8.333% * 18.1133% (0.35 2.17 13.06) = 18.113% kept QB ALA 88 - QG2 ILE 89 8.333% * 16.6566% (0.18 3.85 4.55) = 16.657% kept HB2 LEU 31 - QG2 ILE 89 8.333% * 7.7735% (0.99 0.33 0.02) = 7.774% kept HB3 PRO 93 - QG2 ILE 89 8.333% * 6.2259% (0.31 0.84 0.02) = 6.226% kept HG2 LYS+ 38 - QG2 ILE 89 8.333% * 0.9688% (0.53 0.08 0.02) = 0.969% HB3 LEU 80 - QG2 ILE 89 8.333% * 0.4645% (0.99 0.02 0.02) = 0.464% HB2 LEU 63 - QG2 ILE 89 8.333% * 0.4343% (0.92 0.02 0.02) = 0.434% HG2 LYS+ 99 - QG2 ILE 89 8.333% * 0.3194% (0.68 0.02 0.02) = 0.319% QB ALA 124 - QG2 ILE 89 8.333% * 0.2968% (0.63 0.02 0.02) = 0.297% HG LEU 98 - QG2 ILE 89 8.333% * 0.2290% (0.49 0.02 0.02) = 0.229% Peak 2971 (-0.07, 0.63, 17.89 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 5.49, residual support = 187.7: O T HG13 ILE 89 - QG2 ILE 89 100.000% *100.0000% (0.97 10.0 10.00 5.49 187.71) = 100.000% kept Peak 2972 (0.10, 0.63, 17.89 ppm): 3 chemical-shift based assignments, quality = 0.871, support = 5.86, residual support = 175.7: T QD1 ILE 89 - QG2 ILE 89 33.333% * 93.5304% (0.89 10.00 6.12 187.71) = 93.530% kept QG2 VAL 83 - QG2 ILE 89 33.333% * 6.4554% (0.58 1.00 2.11 1.65) = 6.455% kept QD2 LEU 31 - QG2 ILE 89 33.333% * 0.0142% (0.14 1.00 0.02 0.02) = 0.014% Peak 2973 (0.10, 1.22, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.88, support = 5.16, residual support = 182.1: O T QD1 ILE 89 - HG12 ILE 89 16.667% * 96.9956% (0.89 10.0 10.00 5.29 187.71) = 96.996% kept QG2 VAL 83 - HG12 ILE 89 16.667% * 2.7022% (0.58 1.0 1.00 0.85 1.65) = 2.702% kept T QD1 ILE 89 - HG3 LYS+ 99 16.667% * 0.2660% (0.24 1.0 10.00 0.02 0.02) = 0.266% QG2 VAL 83 - HG3 LYS+ 99 16.667% * 0.0174% (0.16 1.0 1.00 0.02 0.02) = 0.017% QD2 LEU 31 - HG12 ILE 89 16.667% * 0.0147% (0.14 1.0 1.00 0.02 0.02) = 0.015% QD2 LEU 31 - HG3 LYS+ 99 16.667% * 0.0040% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 2974 (-0.07, 1.22, 26.04 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 4.96, residual support = 187.2: O T HG13 ILE 89 - HG12 ILE 89 50.000% * 99.7265% (0.97 10.0 10.00 4.97 187.71) = 99.726% kept T HG13 ILE 89 - HG3 LYS+ 99 50.000% * 0.2735% (0.27 1.0 10.00 0.02 0.02) = 0.274% Peak 2975 (0.08, -0.08, 26.04 ppm): 3 chemical-shift based assignments, quality = 0.871, support = 4.85, residual support = 166.0: O T QD1 ILE 89 - HG13 ILE 89 33.333% * 88.3246% (0.85 10.0 10.00 5.20 187.71) = 88.325% kept QG2 VAL 83 - HG13 ILE 89 33.333% * 11.6102% (1.00 1.0 1.00 2.25 1.65) = 11.610% kept QD2 LEU 31 - HG13 ILE 89 33.333% * 0.0652% (0.63 1.0 1.00 0.02 0.02) = 0.065% Peak 2976 (0.64, -0.08, 26.04 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 5.49, residual support = 187.7: O T QG2 ILE 89 - HG13 ILE 89 100.000% *100.0000% (0.77 10.0 10.00 5.49 187.71) = 100.000% kept Peak 2977 (1.75, -0.08, 26.04 ppm): 4 chemical-shift based assignments, quality = 0.354, support = 4.96, residual support = 187.2: O T HB ILE 89 - HG13 ILE 89 25.000% * 99.7534% (0.35 10.0 10.00 4.97 187.71) = 99.753% kept HB VAL 43 - HG13 ILE 89 25.000% * 0.0998% (0.35 1.0 1.00 0.02 0.02) = 0.100% QD LYS+ 81 - HG13 ILE 89 25.000% * 0.0782% (0.28 1.0 1.00 0.02 0.02) = 0.078% HB2 LYS+ 99 - HG13 ILE 89 25.000% * 0.0686% (0.24 1.0 1.00 0.02 0.02) = 0.069% Peak 2978 (7.92, -0.08, 26.04 ppm): 4 chemical-shift based assignments, quality = 0.749, support = 3.9, residual support = 121.9: HN ILE 89 - HG13 ILE 89 25.000% * 64.5038% (0.68 5.40 187.71) = 64.504% kept HN ILE 119 - HG13 ILE 89 25.000% * 23.0869% (0.92 1.42 3.32) = 23.087% kept HN CYS 21 - HG13 ILE 89 25.000% * 11.4654% (0.85 0.76 0.32) = 11.465% kept HN SER 37 - HG13 ILE 89 25.000% * 0.9438% (0.44 0.12 0.02) = 0.944% Peak 2979 (7.92, 1.22, 26.04 ppm): 8 chemical-shift based assignments, quality = 0.75, support = 3.9, residual support = 119.6: HN ILE 89 - HG12 ILE 89 12.500% * 63.2876% (0.68 5.44 187.71) = 63.288% kept HN ILE 119 - HG12 ILE 89 12.500% * 24.2524% (0.92 1.53 3.32) = 24.252% kept HN CYS 21 - HG12 ILE 89 12.500% * 11.2692% (0.85 0.77 0.32) = 11.269% kept HN SER 37 - HG12 ILE 89 12.500% * 0.9185% (0.44 0.12 0.02) = 0.918% HN ILE 119 - HG3 LYS+ 99 12.500% * 0.0867% (0.25 0.02 0.02) = 0.087% HN CYS 21 - HG3 LYS+ 99 12.500% * 0.0803% (0.23 0.02 0.02) = 0.080% HN ILE 89 - HG3 LYS+ 99 12.500% * 0.0638% (0.19 0.02 0.02) = 0.064% HN SER 37 - HG3 LYS+ 99 12.500% * 0.0414% (0.12 0.02 0.02) = 0.041% Peak 2980 (-0.07, 0.09, 9.19 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 5.2, residual support = 187.7: O T HG13 ILE 89 - QD1 ILE 89 100.000% *100.0000% (0.97 10.0 10.00 5.20 187.71) = 100.000% kept Peak 2981 (0.64, 0.09, 9.19 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 6.12, residual support = 187.7: T QG2 ILE 89 - QD1 ILE 89 100.000% *100.0000% (0.77 10.00 6.12 187.71) = 100.000% kept Peak 2982 (1.22, 0.09, 9.19 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 5.26, residual support = 186.7: O T HG12 ILE 89 - QD1 ILE 89 12.500% * 99.4610% (1.00 10.0 10.00 5.29 187.71) = 99.461% kept T HG3 LYS+ 99 - QD1 ILE 89 12.500% * 0.3143% (0.31 1.0 10.00 0.02 0.02) = 0.314% HG3 LYS+ 111 - QD1 ILE 89 12.500% * 0.0969% (0.97 1.0 1.00 0.02 0.61) = 0.097% HG LEU 71 - QD1 ILE 89 12.500% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HG2 LYS+ 74 - QD1 ILE 89 12.500% * 0.0354% (0.35 1.0 1.00 0.02 0.02) = 0.035% HB3 LEU 71 - QD1 ILE 89 12.500% * 0.0212% (0.21 1.0 1.00 0.02 0.02) = 0.021% HD2 LYS+ 112 - QD1 ILE 89 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG13 ILE 19 - QD1 ILE 89 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 2983 (1.75, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.354, support = 5.28, residual support = 187.2: O T HB ILE 89 - QD1 ILE 89 25.000% * 99.7534% (0.35 10.0 10.00 5.29 187.71) = 99.753% kept HB VAL 43 - QD1 ILE 89 25.000% * 0.0998% (0.35 1.0 1.00 0.02 0.02) = 0.100% QD LYS+ 81 - QD1 ILE 89 25.000% * 0.0782% (0.28 1.0 1.00 0.02 0.02) = 0.078% HB2 LYS+ 99 - QD1 ILE 89 25.000% * 0.0686% (0.24 1.0 1.00 0.02 0.02) = 0.069% Peak 2984 (1.95, 0.09, 9.19 ppm): 5 chemical-shift based assignments, quality = 0.41, support = 1.41, residual support = 3.92: T HB3 MET 96 - QD1 ILE 89 20.000% * 96.2443% (0.40 10.00 1.46 4.07) = 96.244% kept HB2 LEU 40 - QD1 ILE 89 20.000% * 3.2532% (0.85 1.00 0.23 0.02) = 3.253% kept HB3 ARG+ 54 - QD1 ILE 89 20.000% * 0.2705% (0.81 1.00 0.02 0.02) = 0.270% HB VAL 18 - QD1 ILE 89 20.000% * 0.1616% (0.49 1.00 0.02 0.02) = 0.162% HB2 LEU 67 - QD1 ILE 89 20.000% * 0.0705% (0.21 1.00 0.02 0.02) = 0.071% Peak 2985 (2.49, 0.09, 9.19 ppm): 3 chemical-shift based assignments, quality = 0.682, support = 2.42, residual support = 12.7: T HB3 TRP 87 - QD1 ILE 89 33.333% * 97.0657% (0.68 10.00 2.48 13.09) = 97.066% kept HG3 GLN 116 - QD1 ILE 89 33.333% * 2.9116% (0.77 1.00 0.53 0.30) = 2.912% kept HG2 GLU- 36 - QD1 ILE 89 33.333% * 0.0226% (0.16 1.00 0.02 0.71) = 0.023% Peak 2986 (3.90, 0.09, 9.19 ppm): 2 chemical-shift based assignments, quality = 0.24, support = 0.271, residual support = 0.416: HB THR 118 - QD1 ILE 89 50.000% * 88.0241% (0.21 0.30 0.47) = 88.024% kept HA PHE 60 - QD1 ILE 89 50.000% * 11.9759% (0.44 0.02 0.02) = 11.976% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2987 (6.84, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.582, support = 1.13, residual support = 4.47: QD PHE 45 - QD1 ILE 89 25.000% * 58.6281% (0.31 1.69 7.42) = 58.628% kept HE22 GLN 116 - QD1 ILE 89 25.000% * 38.7318% (0.97 0.36 0.30) = 38.732% kept HD2 HIS 122 - QD1 ILE 89 25.000% * 2.1725% (0.99 0.02 0.02) = 2.173% kept HE22 GLN 17 - QD1 ILE 89 25.000% * 0.4676% (0.21 0.02 0.02) = 0.468% Peak 2988 (7.69, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.837, support = 2.31, residual support = 12.9: HN TRP 87 - QD1 ILE 89 25.000% * 85.9830% (0.95 2.38 13.09) = 85.983% kept HE3 TRP 87 - QD1 ILE 89 25.000% * 12.5543% (0.16 2.09 13.09) = 12.554% kept HN GLN 17 - QD1 ILE 89 25.000% * 0.7606% (1.00 0.02 0.02) = 0.761% HD21 ASN 69 - QD1 ILE 89 25.000% * 0.7021% (0.92 0.02 0.02) = 0.702% Peak 2989 (7.92, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.771, support = 4.13, residual support = 107.5: HN ILE 89 - QD1 ILE 89 25.000% * 56.6507% (0.68 5.74 187.71) = 56.651% kept HN ILE 119 - QD1 ILE 89 25.000% * 32.9294% (0.92 2.45 3.32) = 32.929% kept HN CYS 21 - QD1 ILE 89 25.000% * 9.6404% (0.85 0.78 0.32) = 9.640% kept HN SER 37 - QD1 ILE 89 25.000% * 0.7794% (0.44 0.12 0.02) = 0.779% Peak 2990 (8.61, 2.27, 34.07 ppm): 3 chemical-shift based assignments, quality = 0.587, support = 4.49, residual support = 70.9: HN GLN 90 - QG GLN 90 33.333% * 93.9489% (0.58 4.77 75.42) = 93.949% kept HN ILE 103 - QG GLN 90 33.333% * 3.8717% (0.76 0.15 0.86) = 3.872% kept HN GLY 109 - QG GLN 90 33.333% * 2.1794% (0.58 0.11 0.02) = 2.179% kept Peak 2991 (8.62, 1.87, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.76, support = 5.3, residual support = 74.3: O HN GLN 90 - HB3 GLN 90 25.000% * 98.4897% (0.76 10.0 5.37 75.42) = 98.490% kept HN ILE 103 - HB3 GLN 90 25.000% * 1.4631% (0.66 1.0 0.34 0.86) = 1.463% kept HN SER 82 - HB3 GLN 90 25.000% * 0.0314% (0.24 1.0 0.02 0.02) = 0.031% HN GLY 109 - HB3 GLN 90 25.000% * 0.0158% (0.12 1.0 0.02 0.02) = 0.016% Peak 2992 (8.04, 2.15, 31.73 ppm): 8 chemical-shift based assignments, quality = 0.114, support = 2.35, residual support = 38.3: O HN GLU- 79 - HB3 GLU- 79 12.500% * 85.8917% (0.09 10.0 2.65 44.44) = 85.892% kept HN THR 94 - HB2 GLN 90 12.500% * 6.8445% (0.42 1.0 0.34 0.02) = 6.844% kept HN GLN 32 - HB3 GLU- 79 12.500% * 5.8264% (0.14 1.0 0.88 1.44) = 5.826% kept HN SER 85 - HB2 GLN 90 12.500% * 0.4730% (0.49 1.0 0.02 0.02) = 0.473% HN SER 85 - HB3 GLU- 79 12.500% * 0.3684% (0.38 1.0 0.02 0.02) = 0.368% HN THR 94 - HB3 GLU- 79 12.500% * 0.3159% (0.33 1.0 0.02 0.02) = 0.316% HN GLN 32 - HB2 GLN 90 12.500% * 0.1699% (0.18 1.0 0.02 0.02) = 0.170% HN GLU- 79 - HB2 GLN 90 12.500% * 0.1103% (0.11 1.0 0.02 0.02) = 0.110% Peak 2993 (4.27, 2.15, 31.73 ppm): 18 chemical-shift based assignments, quality = 0.544, support = 4.34, residual support = 43.3: O T HA GLU- 79 - HB3 GLU- 79 5.556% * 97.4433% (0.55 10.0 10.00 4.45 44.44) = 97.443% kept T HA GLU- 79 - HB2 GLN 90 5.556% * 1.2513% (0.71 1.0 10.00 0.02 0.02) = 1.251% kept HA THR 39 - HB2 GLN 90 5.556% * 0.1189% (0.67 1.0 1.00 0.02 0.02) = 0.119% HA ILE 103 - HB2 GLN 90 5.556% * 0.1101% (0.62 1.0 1.00 0.02 0.86) = 0.110% HA1 GLY 51 - HB2 GLN 90 5.556% * 0.1049% (0.59 1.0 1.00 0.02 0.02) = 0.105% HA SER 85 - HB2 GLN 90 5.556% * 0.0935% (0.53 1.0 1.00 0.02 0.02) = 0.094% HB THR 77 - HB2 GLN 90 5.556% * 0.0935% (0.53 1.0 1.00 0.02 0.16) = 0.094% HA THR 39 - HB3 GLU- 79 5.556% * 0.0926% (0.52 1.0 1.00 0.02 0.02) = 0.093% HA ILE 103 - HB3 GLU- 79 5.556% * 0.0857% (0.48 1.0 1.00 0.02 0.02) = 0.086% HA1 GLY 51 - HB3 GLU- 79 5.556% * 0.0817% (0.46 1.0 1.00 0.02 0.02) = 0.082% HA ASP- 44 - HB2 GLN 90 5.556% * 0.0812% (0.46 1.0 1.00 0.02 0.02) = 0.081% HA MET 11 - HB2 GLN 90 5.556% * 0.0750% (0.42 1.0 1.00 0.02 0.02) = 0.075% HA SER 85 - HB3 GLU- 79 5.556% * 0.0728% (0.41 1.0 1.00 0.02 0.02) = 0.073% HB THR 77 - HB3 GLU- 79 5.556% * 0.0728% (0.41 1.0 1.00 0.02 0.02) = 0.073% HA ASP- 44 - HB3 GLU- 79 5.556% * 0.0633% (0.36 1.0 1.00 0.02 0.02) = 0.063% HA MET 11 - HB3 GLU- 79 5.556% * 0.0584% (0.33 1.0 1.00 0.02 0.02) = 0.058% HA ALA 57 - HB2 GLN 90 5.556% * 0.0568% (0.32 1.0 1.00 0.02 0.02) = 0.057% HA ALA 57 - HB3 GLU- 79 5.556% * 0.0442% (0.25 1.0 1.00 0.02 0.02) = 0.044% Peak 2994 (1.30, 2.27, 34.07 ppm): 4 chemical-shift based assignments, quality = 0.735, support = 0.292, residual support = 0.124: QG2 THR 77 - QG GLN 90 25.000% * 73.5358% (0.83 0.34 0.16) = 73.536% kept QB ALA 88 - QG GLN 90 25.000% * 24.4060% (0.50 0.19 0.02) = 24.406% kept QG2 THR 23 - QG GLN 90 25.000% * 1.0998% (0.21 0.02 0.02) = 1.100% kept HG2 LYS+ 38 - QG GLN 90 25.000% * 0.9584% (0.18 0.02 0.02) = 0.958% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2995 (1.53, 2.27, 34.07 ppm): 6 chemical-shift based assignments, quality = 0.808, support = 0.0722, residual support = 0.02: HD3 LYS+ 74 - QG GLN 90 16.667% * 41.5516% (0.85 0.10 0.02) = 41.552% kept HG LEU 104 - QG GLN 90 16.667% * 34.2816% (0.83 0.08 0.02) = 34.282% kept HB3 LYS+ 111 - QG GLN 90 16.667% * 8.7340% (0.85 0.02 0.02) = 8.734% kept HB3 LYS+ 121 - QG GLN 90 16.667% * 8.4860% (0.83 0.02 0.02) = 8.486% kept QD LYS+ 66 - QG GLN 90 16.667% * 3.8498% (0.38 0.02 0.02) = 3.850% kept HG2 LYS+ 33 - QG GLN 90 16.667% * 3.0970% (0.30 0.02 0.02) = 3.097% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 2996 (2.26, 1.89, 34.43 ppm): 9 chemical-shift based assignments, quality = 0.632, support = 2.12, residual support = 32.7: O HG3 MET 92 - HB2 MET 92 11.111% * 64.5263% (0.63 10.0 1.00 2.96 50.51) = 64.526% kept T QG GLN 90 - HB2 MET 92 11.111% * 21.9299% (0.73 1.0 10.00 0.59 0.17) = 21.930% kept T QG GLU- 14 - HB2 MET 92 11.111% * 8.9910% (0.53 1.0 10.00 0.33 0.02) = 8.991% kept HB2 ASP- 44 - HB2 MET 92 11.111% * 3.7273% (0.49 1.0 1.00 1.50 2.85) = 3.727% kept T QG GLU- 15 - HB2 MET 92 11.111% * 0.3627% (0.35 1.0 10.00 0.02 0.11) = 0.363% T HB2 ASP- 105 - HB2 MET 92 11.111% * 0.2174% (0.21 1.0 10.00 0.02 0.02) = 0.217% HG12 ILE 119 - HB2 MET 92 11.111% * 0.1020% (1.00 1.0 1.00 0.02 0.02) = 0.102% HB2 GLU- 29 - HB2 MET 92 11.111% * 0.0789% (0.77 1.0 1.00 0.02 0.02) = 0.079% HB3 PHE 72 - HB2 MET 92 11.111% * 0.0645% (0.63 1.0 1.00 0.02 0.02) = 0.065% Peak 2997 (8.47, 1.89, 34.43 ppm): 5 chemical-shift based assignments, quality = 0.884, support = 3.62, residual support = 50.1: O HN MET 92 - HB2 MET 92 20.000% * 99.1629% (0.89 10.0 3.65 50.51) = 99.163% kept HN LYS+ 74 - HB2 MET 92 20.000% * 0.6736% (0.73 1.0 0.17 0.02) = 0.674% HN THR 46 - HB2 MET 92 20.000% * 0.1109% (1.00 1.0 0.02 0.02) = 0.111% HN MET 11 - HB2 MET 92 20.000% * 0.0350% (0.31 1.0 0.02 0.02) = 0.035% HN LYS+ 112 - HB2 MET 92 20.000% * 0.0176% (0.16 1.0 0.02 0.02) = 0.018% Peak 2998 (4.89, 1.89, 34.43 ppm): 3 chemical-shift based assignments, quality = 0.494, support = 3.78, residual support = 47.7: O T HA MET 92 - HB2 MET 92 33.333% * 94.3629% (0.49 10.0 10.00 3.97 50.51) = 94.363% kept HA HIS 122 - HB2 MET 92 33.333% * 4.2503% (0.73 1.0 1.00 0.60 0.02) = 4.250% kept HA VAL 41 - HB2 MET 92 33.333% * 1.3868% (0.28 1.0 1.00 0.51 0.02) = 1.387% kept Peak 2999 (2.26, 1.69, 34.43 ppm): 9 chemical-shift based assignments, quality = 0.613, support = 2.93, residual support = 42.9: O HG3 MET 92 - HB3 MET 92 11.111% * 84.3587% (0.63 10.0 3.17 50.51) = 84.359% kept HB2 ASP- 44 - HB3 MET 92 11.111% * 8.3483% (0.49 1.0 2.56 2.85) = 8.348% kept QG GLN 90 - HB3 MET 92 11.111% * 2.8473% (0.73 1.0 0.59 0.17) = 2.847% kept QG GLU- 14 - HB3 MET 92 11.111% * 2.6785% (0.53 1.0 0.75 0.02) = 2.678% kept QG GLU- 15 - HB3 MET 92 11.111% * 1.4180% (0.35 1.0 0.60 0.11) = 1.418% kept HG12 ILE 119 - HB3 MET 92 11.111% * 0.1333% (1.00 1.0 0.02 0.02) = 0.133% HB2 GLU- 29 - HB3 MET 92 11.111% * 0.1032% (0.77 1.0 0.02 0.02) = 0.103% HB3 PHE 72 - HB3 MET 92 11.111% * 0.0844% (0.63 1.0 0.02 0.02) = 0.084% HB2 ASP- 105 - HB3 MET 92 11.111% * 0.0284% (0.21 1.0 0.02 0.02) = 0.028% Peak 3000 (4.89, 1.69, 34.43 ppm): 3 chemical-shift based assignments, quality = 0.493, support = 3.96, residual support = 47.4: O T HA MET 92 - HB3 MET 92 33.333% * 93.7995% (0.49 10.0 10.00 4.18 50.51) = 93.800% kept HA HIS 122 - HB3 MET 92 33.333% * 4.1958% (0.73 1.0 1.00 0.60 0.02) = 4.196% kept HA VAL 41 - HB3 MET 92 33.333% * 2.0047% (0.28 1.0 1.00 0.75 0.02) = 2.005% kept Peak 3001 (4.89, 2.31, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.489, support = 2.23, residual support = 50.0: O T HA MET 92 - HG2 MET 92 33.333% * 98.9275% (0.49 10.0 10.00 2.25 50.51) = 98.927% kept HA HIS 122 - HG2 MET 92 33.333% * 1.0160% (0.73 1.0 1.00 0.14 0.02) = 1.016% kept HA VAL 41 - HG2 MET 92 33.333% * 0.0565% (0.28 1.0 1.00 0.02 0.02) = 0.057% Peak 3002 (4.05, 1.26, 21.81 ppm): 9 chemical-shift based assignments, quality = 0.408, support = 0.493, residual support = 0.637: HA1 GLY 16 - QG2 THR 39 11.111% * 78.2977% (0.47 0.57 0.33) = 78.298% kept HB2 SER 37 - QG2 THR 39 11.111% * 14.7609% (0.17 0.30 2.58) = 14.761% kept HA LYS+ 66 - QG2 THR 39 11.111% * 1.8631% (0.32 0.02 0.02) = 1.863% kept HA1 GLY 16 - QB ALA 91 11.111% * 1.2916% (0.22 0.02 0.02) = 1.292% kept HA1 GLY 16 - QG2 THR 23 11.111% * 1.1903% (0.21 0.02 0.02) = 1.190% kept HA LYS+ 66 - QB ALA 91 11.111% * 0.8798% (0.15 0.02 0.02) = 0.880% HA LYS+ 66 - QG2 THR 23 11.111% * 0.8108% (0.14 0.02 0.02) = 0.811% HB2 SER 37 - QB ALA 91 11.111% * 0.4714% (0.08 0.02 0.02) = 0.471% HB2 SER 37 - QG2 THR 23 11.111% * 0.4344% (0.08 0.02 0.02) = 0.434% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3003 (8.45, 1.69, 34.43 ppm): 3 chemical-shift based assignments, quality = 0.889, support = 3.82, residual support = 50.0: O HN MET 92 - HB3 MET 92 33.333% * 98.9611% (0.89 10.0 3.86 50.51) = 98.961% kept HN THR 46 - HB3 MET 92 33.333% * 1.0153% (0.68 1.0 0.27 0.02) = 1.015% kept HN LYS+ 74 - HB3 MET 92 33.333% * 0.0236% (0.21 1.0 0.02 0.02) = 0.024% Peak 3004 (4.43, 1.69, 34.43 ppm): 8 chemical-shift based assignments, quality = 0.497, support = 0.136, residual support = 0.0548: HA GLU- 15 - HB3 MET 92 12.500% * 39.9677% (0.16 0.31 0.11) = 39.968% kept HA VAL 42 - HB3 MET 92 12.500% * 13.9143% (0.85 0.02 0.02) = 13.914% kept HA SER 37 - HB3 MET 92 12.500% * 13.2622% (0.81 0.02 0.02) = 13.262% kept HA GLN 17 - HB3 MET 92 12.500% * 13.2622% (0.81 0.02 0.02) = 13.262% kept HA THR 46 - HB3 MET 92 12.500% * 11.8191% (0.73 0.02 0.02) = 11.819% kept HA PHE 55 - HB3 MET 92 12.500% * 2.9949% (0.18 0.02 0.02) = 2.995% kept HA SER 13 - HB3 MET 92 12.500% * 2.5767% (0.16 0.02 0.02) = 2.577% kept HA PRO 58 - HB3 MET 92 12.500% * 2.2028% (0.14 0.02 0.02) = 2.203% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3005 (4.91, 2.24, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 3.95, residual support = 50.5: O T HA MET 92 - HG3 MET 92 33.333% * 99.9455% (0.99 10.0 10.00 3.96 50.51) = 99.945% kept HA LYS+ 74 - HG3 MET 92 33.333% * 0.0359% (0.35 1.0 1.00 0.02 0.02) = 0.036% HA HIS 122 - HG3 MET 92 33.333% * 0.0186% (0.18 1.0 1.00 0.02 0.02) = 0.019% Peak 3006 (8.45, 2.24, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 3.57, residual support = 48.5: HN MET 92 - HG3 MET 92 33.333% * 95.9329% (0.89 3.71 50.51) = 95.933% kept HN THR 46 - HG3 MET 92 33.333% * 3.0393% (0.68 0.15 0.02) = 3.039% kept HN LYS+ 74 - HG3 MET 92 33.333% * 1.0278% (0.21 0.17 0.02) = 1.028% kept Peak 3007 (6.88, 2.06, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.278, support = 1.88, residual support = 5.76: QD PHE 45 - HB2 PRO 93 50.000% * 99.9528% (0.28 1.88 5.76) = 99.953% kept QD PHE 45 - HG3 GLN 30 50.000% * 0.0472% (0.01 0.02 0.02) = 0.047% Peak 3008 (8.03, 2.06, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.996, support = 4.48, residual support = 11.7: O HN THR 94 - HB2 PRO 93 16.667% * 99.9103% (1.00 10.0 4.48 11.74) = 99.910% kept HN GLU- 79 - HB2 PRO 93 16.667% * 0.0632% (0.63 1.0 0.02 0.02) = 0.063% HN SER 85 - HB2 PRO 93 16.667% * 0.0184% (0.18 1.0 0.02 0.02) = 0.018% HN THR 94 - HG3 GLN 30 16.667% * 0.0044% (0.04 1.0 0.02 0.02) = 0.004% HN GLU- 79 - HG3 GLN 30 16.667% * 0.0028% (0.03 1.0 0.02 0.02) = 0.003% HN SER 85 - HG3 GLN 30 16.667% * 0.0008% (0.01 1.0 0.02 0.31) = 0.001% Peak 3009 (6.88, 1.81, 24.81 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 1.88, residual support = 5.76: QD PHE 45 - HG2 PRO 93 100.000% *100.0000% (0.28 1.88 5.76) = 100.000% kept Peak 3010 (2.05, 1.68, 24.81 ppm): 8 chemical-shift based assignments, quality = 0.762, support = 5.08, residual support = 124.0: O HB2 PRO 93 - HG3 PRO 93 12.500% * 98.7867% (0.77 10.0 1.00 5.14 125.53) = 98.787% kept T HG3 GLN 30 - HG3 PRO 93 12.500% * 0.6231% (0.49 1.0 10.00 0.02 0.02) = 0.623% HB VAL 108 - HG3 PRO 93 12.500% * 0.1276% (1.00 1.0 1.00 0.02 0.02) = 0.128% HB2 ARG+ 54 - HG3 PRO 93 12.500% * 0.1276% (1.00 1.0 1.00 0.02 0.02) = 0.128% HB2 GLN 30 - HG3 PRO 93 12.500% * 0.1094% (0.85 1.0 1.00 0.02 0.02) = 0.109% HB ILE 119 - HG3 PRO 93 12.500% * 0.1094% (0.85 1.0 1.00 0.02 0.02) = 0.109% HB3 GLU- 100 - HG3 PRO 93 12.500% * 0.0988% (0.77 1.0 1.00 0.02 0.02) = 0.099% HB3 PRO 68 - HG3 PRO 93 12.500% * 0.0173% (0.14 1.0 1.00 0.02 0.02) = 0.017% Peak 3011 (1.82, 1.68, 24.81 ppm): 9 chemical-shift based assignments, quality = 0.902, support = 3.15, residual support = 97.6: O T HG2 PRO 93 - HG3 PRO 93 11.111% * 77.6108% (0.99 10.0 10.00 3.87 125.53) = 77.611% kept T QB LYS+ 65 - HG3 PRO 93 11.111% * 20.0149% (0.68 1.0 10.00 0.75 1.10) = 20.015% kept QB LYS+ 66 - HG3 PRO 93 11.111% * 0.8605% (0.92 1.0 1.00 0.24 0.02) = 0.861% T QB LYS+ 102 - HG3 PRO 93 11.111% * 0.6405% (0.81 1.0 10.00 0.02 0.02) = 0.641% T HB VAL 41 - HG3 PRO 93 11.111% * 0.5708% (0.73 1.0 10.00 0.02 0.02) = 0.571% T HG LEU 123 - HG3 PRO 93 11.111% * 0.1917% (0.24 1.0 10.00 0.02 0.02) = 0.192% HB2 LEU 71 - HG3 PRO 93 11.111% * 0.0496% (0.63 1.0 1.00 0.02 0.02) = 0.050% HG12 ILE 103 - HG3 PRO 93 11.111% * 0.0420% (0.53 1.0 1.00 0.02 0.02) = 0.042% HB3 PRO 52 - HG3 PRO 93 11.111% * 0.0192% (0.24 1.0 1.00 0.02 0.02) = 0.019% Peak 3012 (1.69, 1.81, 24.81 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 3.76, residual support = 102.1: O T HG3 PRO 93 - HG2 PRO 93 10.000% * 81.1249% (0.92 10.0 10.00 3.87 125.53) = 81.125% kept HB3 MET 92 - HG2 PRO 93 10.000% * 15.6207% (0.89 1.0 1.00 3.99 1.69) = 15.621% kept T HD2 LYS+ 111 - HG2 PRO 93 10.000% * 0.8539% (0.97 1.0 10.00 0.02 0.02) = 0.854% HB2 LEU 73 - HG2 PRO 93 10.000% * 0.7519% (0.73 1.0 1.00 0.24 0.02) = 0.752% T QD LYS+ 102 - HG2 PRO 93 10.000% * 0.6382% (0.73 1.0 10.00 0.02 0.02) = 0.638% QD LYS+ 99 - HG2 PRO 93 10.000% * 0.6260% (0.44 1.0 1.00 0.32 0.02) = 0.626% T QD LYS+ 38 - HG2 PRO 93 10.000% * 0.2443% (0.28 1.0 10.00 0.02 0.02) = 0.244% HB2 LEU 123 - HG2 PRO 93 10.000% * 0.0835% (0.95 1.0 1.00 0.02 0.02) = 0.083% QD LYS+ 106 - HG2 PRO 93 10.000% * 0.0428% (0.49 1.0 1.00 0.02 0.02) = 0.043% HB VAL 83 - HG2 PRO 93 10.000% * 0.0139% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 3013 (3.33, 1.68, 24.81 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 3.85, residual support = 125.0: O HD3 PRO 93 - HG3 PRO 93 16.667% * 99.5484% (0.95 10.0 3.87 125.53) = 99.548% kept QB PHE 55 - HG3 PRO 93 16.667% * 0.1044% (1.00 1.0 0.02 0.02) = 0.104% HD3 PRO 68 - HG3 PRO 93 16.667% * 0.1018% (0.97 1.0 0.02 0.02) = 0.102% HB2 PHE 59 - HG3 PRO 93 16.667% * 0.0934% (0.89 1.0 0.02 0.02) = 0.093% HB3 CYS 53 - HG3 PRO 93 16.667% * 0.0809% (0.77 1.0 0.02 0.02) = 0.081% HD2 ARG+ 54 - HG3 PRO 93 16.667% * 0.0711% (0.68 1.0 0.02 0.02) = 0.071% Peak 3014 (3.59, 1.68, 24.81 ppm): 3 chemical-shift based assignments, quality = 0.134, support = 3.94, residual support = 124.6: O HD2 PRO 93 - HG3 PRO 93 33.333% * 99.2472% (0.14 10.0 3.97 125.53) = 99.247% kept HA THR 77 - HG3 PRO 93 33.333% * 0.6535% (0.89 1.0 0.02 0.02) = 0.654% HB2 TRP 27 - HG3 PRO 93 33.333% * 0.0992% (0.14 1.0 0.02 0.02) = 0.099% Peak 3017 (6.89, 1.68, 24.81 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 0.426, residual support = 1.1: HN LYS+ 65 - HG3 PRO 93 100.000% *100.0000% (0.44 0.43 1.10) = 100.000% kept Peak 3018 (8.75, 3.58, 50.24 ppm): 2 chemical-shift based assignments, quality = 0.59, support = 1.75, residual support = 3.02: HN ALA 110 - HD2 PRO 93 50.000% * 81.5959% (0.61 2.02 2.40) = 81.596% kept HN PHE 45 - HD2 PRO 93 50.000% * 18.4041% (0.49 0.57 5.76) = 18.404% kept Peak 3019 (4.60, 3.58, 50.24 ppm): 5 chemical-shift based assignments, quality = 0.281, support = 0.673, residual support = 0.458: HA1 GLY 109 - HD2 PRO 93 20.000% * 80.8045% (0.25 0.82 0.56) = 80.804% kept HA CYS 50 - HD2 PRO 93 20.000% * 7.3287% (0.22 0.08 0.02) = 7.329% kept HA LYS+ 102 - HD2 PRO 93 20.000% * 4.9413% (0.63 0.02 0.02) = 4.941% kept HA CYS 21 - HD2 PRO 93 20.000% * 4.0391% (0.51 0.02 0.02) = 4.039% kept HA TRP 49 - HD2 PRO 93 20.000% * 2.8864% (0.37 0.02 0.02) = 2.886% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3020 (1.43, 3.58, 50.24 ppm): 11 chemical-shift based assignments, quality = 0.564, support = 1.2, residual support = 1.18: QB ALA 110 - HD2 PRO 93 9.091% * 45.7407% (0.58 1.73 2.40) = 45.741% kept HG LEU 80 - HD2 PRO 93 9.091% * 29.6585% (0.60 1.09 0.23) = 29.658% kept HB3 LEU 67 - HD2 PRO 93 9.091% * 10.7614% (0.58 0.41 0.02) = 10.761% kept HG12 ILE 19 - HD2 PRO 93 9.091% * 9.6240% (0.54 0.39 0.02) = 9.624% kept HB2 LEU 80 - HD2 PRO 93 9.091% * 2.5201% (0.22 0.25 0.23) = 2.520% kept QB ALA 61 - HD2 PRO 93 9.091% * 0.5707% (0.63 0.02 0.02) = 0.571% QG LYS+ 66 - HD2 PRO 93 9.091% * 0.4158% (0.46 0.02 0.02) = 0.416% HG LEU 73 - HD2 PRO 93 9.091% * 0.2787% (0.31 0.02 0.02) = 0.279% HG2 LYS+ 102 - HD2 PRO 93 9.091% * 0.2030% (0.22 0.02 0.02) = 0.203% HD3 LYS+ 121 - HD2 PRO 93 9.091% * 0.1217% (0.13 0.02 0.02) = 0.122% HB3 LYS+ 74 - HD2 PRO 93 9.091% * 0.1054% (0.12 0.02 0.02) = 0.105% Peak 3021 (1.42, 3.34, 50.24 ppm): 22 chemical-shift based assignments, quality = 0.581, support = 0.868, residual support = 3.02: QB ALA 110 - HD3 PRO 93 4.545% * 40.4199% (0.70 0.74 2.40) = 40.420% kept HG12 ILE 19 - HD3 PRO 93 4.545% * 20.3815% (0.76 0.34 0.02) = 20.381% kept HG LEU 80 - HD3 PRO 93 4.545% * 17.9471% (0.66 0.35 0.23) = 17.947% kept HB3 LEU 67 - HD3 PRO 68 4.545% * 13.4801% (0.05 3.23 14.87) = 13.480% kept HB2 LEU 80 - HD3 PRO 93 4.545% * 1.2380% (0.79 0.02 0.23) = 1.238% kept QG LYS+ 66 - HD3 PRO 93 4.545% * 1.1372% (0.16 0.09 0.02) = 1.137% kept HD3 LYS+ 121 - HD3 PRO 93 4.545% * 1.0349% (0.66 0.02 0.02) = 1.035% kept HB3 LYS+ 74 - HD3 PRO 93 4.545% * 0.9738% (0.62 0.02 0.02) = 0.974% QB ALA 61 - HD3 PRO 93 4.545% * 0.7163% (0.46 0.02 0.02) = 0.716% QB LEU 98 - HD3 PRO 93 4.545% * 0.5319% (0.34 0.02 0.02) = 0.532% HB3 LEU 67 - HD3 PRO 93 4.545% * 0.4755% (0.30 0.02 0.02) = 0.476% HB2 LEU 80 - HD3 PRO 68 4.545% * 0.2171% (0.14 0.02 0.02) = 0.217% QB ALA 12 - HD3 PRO 93 4.545% * 0.2123% (0.14 0.02 0.02) = 0.212% HG12 ILE 19 - HD3 PRO 68 4.545% * 0.2096% (0.13 0.02 0.02) = 0.210% QB ALA 110 - HD3 PRO 68 4.545% * 0.1916% (0.12 0.02 0.02) = 0.192% HG LEU 80 - HD3 PRO 68 4.545% * 0.1815% (0.12 0.02 0.02) = 0.181% HD3 LYS+ 121 - HD3 PRO 68 4.545% * 0.1815% (0.12 0.02 0.02) = 0.181% HB3 LYS+ 74 - HD3 PRO 68 4.545% * 0.1708% (0.11 0.02 0.02) = 0.171% QB ALA 61 - HD3 PRO 68 4.545% * 0.1256% (0.08 0.02 0.02) = 0.126% QB LEU 98 - HD3 PRO 68 4.545% * 0.0933% (0.06 0.02 0.02) = 0.093% QG LYS+ 66 - HD3 PRO 68 4.545% * 0.0433% (0.03 0.02 0.02) = 0.043% QB ALA 12 - HD3 PRO 68 4.545% * 0.0372% (0.02 0.02 0.02) = 0.037% Peak 3022 (0.65, 3.95, 72.97 ppm): 1 chemical-shift based assignment, quality = 0.164, support = 2.0, residual support = 3.55: QG2 ILE 89 - HB THR 94 100.000% *100.0000% (0.16 2.00 3.55) = 100.000% kept Not enough quality. Peak unassigned. Peak 3023 (0.10, 3.95, 72.97 ppm): 3 chemical-shift based assignments, quality = 0.603, support = 0.7, residual support = 2.45: QD1 ILE 89 - HB THR 94 33.333% * 65.0912% (0.69 0.75 3.55) = 65.091% kept QG2 VAL 83 - HB THR 94 33.333% * 34.6452% (0.45 0.61 0.42) = 34.645% kept QD2 LEU 31 - HB THR 94 33.333% * 0.2636% (0.10 0.02 0.02) = 0.264% Peak 3024 (3.06, 3.95, 72.97 ppm): 3 chemical-shift based assignments, quality = 0.735, support = 2.86, residual support = 18.0: T HB2 PHE 45 - HB THR 94 33.333% * 94.9000% (0.73 10.00 2.96 18.92) = 94.900% kept QE LYS+ 111 - HB THR 94 33.333% * 5.0604% (0.77 1.00 1.02 1.48) = 5.060% kept HB2 CYS 21 - HB THR 94 33.333% * 0.0396% (0.31 1.00 0.02 0.02) = 0.040% Peak 3025 (5.59, 3.95, 72.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3026 (8.03, 3.95, 72.97 ppm): 3 chemical-shift based assignments, quality = 0.769, support = 2.45, residual support = 19.7: O HN THR 94 - HB THR 94 33.333% * 99.9183% (0.77 10.0 2.45 19.72) = 99.918% kept HN GLU- 79 - HB THR 94 33.333% * 0.0632% (0.49 1.0 0.02 0.02) = 0.063% HN SER 85 - HB THR 94 33.333% * 0.0184% (0.14 1.0 0.02 0.02) = 0.018% Peak 3027 (8.74, 3.95, 72.97 ppm): 2 chemical-shift based assignments, quality = 0.696, support = 2.83, residual support = 15.0: HN PHE 45 - HB THR 94 50.000% * 78.3359% (0.73 3.29 18.92) = 78.336% kept HN ALA 110 - HB THR 94 50.000% * 21.6641% (0.56 1.19 0.78) = 21.664% kept Peak 3028 (5.61, 1.19, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02: HA LYS+ 106 - QG2 THR 94 100.000% *100.0000% (0.28 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3030 (9.88, 1.19, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.75, residual support = 12.6: HN PHE 95 - QG2 THR 94 100.000% *100.0000% (0.95 3.75 12.63) = 100.000% kept Peak 3031 (4.33, 5.96, 55.53 ppm): 5 chemical-shift based assignments, quality = 0.486, support = 0.25, residual support = 0.157: HA TRP 87 - HA PHE 95 20.000% * 47.5789% (0.68 0.17 0.02) = 47.579% kept HA ASP- 86 - HA PHE 95 20.000% * 41.5226% (0.24 0.41 0.31) = 41.523% kept HA LEU 104 - HA PHE 95 20.000% * 6.4734% (0.77 0.02 0.26) = 6.473% kept HA GLU- 14 - HA PHE 95 20.000% * 2.6424% (0.31 0.02 0.02) = 2.642% kept HA ALA 12 - HA PHE 95 20.000% * 1.7827% (0.21 0.02 0.02) = 1.783% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3032 (7.03, 5.96, 55.53 ppm): 2 chemical-shift based assignments, quality = 0.802, support = 3.38, residual support = 68.2: QD PHE 95 - HA PHE 95 50.000% * 98.1241% (0.81 3.44 69.47) = 98.124% kept HN ALA 47 - HA PHE 95 50.000% * 1.8759% (0.16 0.34 1.20) = 1.876% kept Peak 3033 (9.33, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.29, residual support = 9.95: O HN MET 96 - HA PHE 95 100.000% *100.0000% (0.73 10.0 3.29 9.95) = 100.000% kept Peak 3034 (9.89, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 4.3, residual support = 69.5: O HN PHE 95 - HA PHE 95 100.000% *100.0000% (0.40 10.0 4.30 69.47) = 100.000% kept Peak 3035 (7.03, 3.20, 40.96 ppm): 2 chemical-shift based assignments, quality = 0.812, support = 2.99, residual support = 69.2: O QD PHE 95 - HB2 PHE 95 50.000% * 99.6723% (0.81 10.0 3.00 69.47) = 99.672% kept HN ALA 47 - HB2 PHE 95 50.000% * 0.3277% (0.16 1.0 0.34 1.20) = 0.328% Peak 3036 (7.03, 2.54, 40.96 ppm): 2 chemical-shift based assignments, quality = 0.807, support = 2.98, residual support = 68.7: O QD PHE 95 - HB3 PHE 95 50.000% * 98.8166% (0.81 10.0 3.00 69.47) = 98.817% kept HN ALA 47 - HB3 PHE 95 50.000% * 1.1834% (0.16 1.0 1.23 1.20) = 1.183% kept Peak 3037 (9.89, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 3.83, residual support = 69.5: O HN PHE 95 - HB3 PHE 95 100.000% *100.0000% (0.40 10.0 3.83 69.47) = 100.000% kept Peak 3038 (9.89, 3.20, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 3.83, residual support = 69.5: O HN PHE 95 - HB2 PHE 95 100.000% *100.0000% (0.40 10.0 3.83 69.47) = 100.000% kept Peak 3039 (1.14, 2.54, 40.96 ppm): 6 chemical-shift based assignments, quality = 0.812, support = 1.12, residual support = 11.8: QG2 VAL 107 - HB3 PHE 95 16.667% * 38.9816% (0.77 1.49 29.22) = 38.982% kept HG2 LYS+ 121 - HB3 PHE 95 16.667% * 33.8314% (0.97 1.03 0.86) = 33.831% kept QB ALA 20 - HB3 PHE 95 16.667% * 19.2241% (0.85 0.66 0.37) = 19.224% kept HG13 ILE 103 - HB3 PHE 95 16.667% * 7.6086% (0.24 0.92 0.63) = 7.609% kept HG13 ILE 119 - HB3 PHE 95 16.667% * 0.1888% (0.28 0.02 0.02) = 0.189% HB3 LEU 31 - HB3 PHE 95 16.667% * 0.1656% (0.24 0.02 0.02) = 0.166% Peak 3040 (0.60, 2.54, 40.96 ppm): 6 chemical-shift based assignments, quality = 0.779, support = 0.835, residual support = 1.51: QD2 LEU 115 - HB3 PHE 95 16.667% * 30.1818% (0.85 1.00 4.03) = 30.182% kept QD1 LEU 104 - HB3 PHE 95 16.667% * 23.4055% (1.00 0.66 0.26) = 23.405% kept QD2 LEU 80 - HB3 PHE 95 16.667% * 18.7796% (0.89 0.60 0.29) = 18.780% kept QD1 LEU 63 - HB3 PHE 95 16.667% * 18.1923% (0.44 1.17 0.80) = 18.192% kept QD1 LEU 73 - HB3 PHE 95 16.667% * 8.9958% (0.44 0.58 0.33) = 8.996% kept QG1 VAL 83 - HB3 PHE 95 16.667% * 0.4450% (0.63 0.02 0.02) = 0.445% Peak 3041 (0.38, 2.54, 40.96 ppm): 4 chemical-shift based assignments, quality = 0.546, support = 0.774, residual support = 1.41: QB ALA 47 - HB3 PHE 95 25.000% * 44.0917% (0.68 0.73 1.20) = 44.092% kept QB ALA 64 - HB3 PHE 95 25.000% * 36.1802% (0.40 1.03 2.36) = 36.180% kept QG1 VAL 42 - HB3 PHE 95 25.000% * 19.4016% (0.53 0.41 0.11) = 19.402% kept HG2 LYS+ 112 - HB3 PHE 95 25.000% * 0.3264% (0.18 0.02 2.72) = 0.326% Peak 3042 (1.13, 3.20, 40.96 ppm): 6 chemical-shift based assignments, quality = 0.477, support = 1.74, residual support = 12.1: QG2 VAL 107 - HB2 PHE 95 16.667% * 40.2806% (0.21 3.15 29.22) = 40.281% kept HG2 LYS+ 121 - HB2 PHE 95 16.667% * 28.9496% (0.44 1.09 0.86) = 28.950% kept QB ALA 20 - HB2 PHE 95 16.667% * 28.5672% (0.89 0.53 0.37) = 28.567% kept HG13 ILE 119 - HB2 PHE 95 16.667% * 1.0300% (0.85 0.02 0.02) = 1.030% kept HB3 LEU 31 - HB2 PHE 95 16.667% * 0.9818% (0.81 0.02 0.02) = 0.982% HD3 LYS+ 112 - HB2 PHE 95 16.667% * 0.1907% (0.16 0.02 2.72) = 0.191% Peak 3043 (2.40, 3.20, 40.96 ppm): 5 chemical-shift based assignments, quality = 0.71, support = 3.85, residual support = 28.3: T HB VAL 107 - HB2 PHE 95 20.000% * 96.7621% (0.73 10.00 3.95 29.22) = 96.762% kept QE LYS+ 112 - HB2 PHE 95 20.000% * 1.9099% (0.24 1.00 1.18 2.72) = 1.910% kept HB3 PHE 45 - HB2 PHE 95 20.000% * 1.1274% (0.24 1.00 0.69 2.00) = 1.127% kept QG GLN 32 - HB2 PHE 95 20.000% * 0.1230% (0.92 1.00 0.02 0.02) = 0.123% QG GLU- 79 - HB2 PHE 95 20.000% * 0.0776% (0.58 1.00 0.02 0.02) = 0.078% Peak 3044 (0.10, 1.19, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.782, support = 0.7, residual support = 2.45: QD1 ILE 89 - QG2 THR 94 33.333% * 65.0912% (0.89 0.75 3.55) = 65.091% kept QG2 VAL 83 - QG2 THR 94 33.333% * 34.6452% (0.58 0.61 0.42) = 34.645% kept QD2 LEU 31 - QG2 THR 94 33.333% * 0.2636% (0.14 0.02 0.02) = 0.264% Peak 3045 (5.63, 5.31, 54.03 ppm): 1 chemical-shift based assignment, quality = 0.959, support = 1.04, residual support = 2.07: T HA LYS+ 106 - HA MET 96 100.000% *100.0000% (0.96 10.00 1.04 2.07) = 100.000% kept Peak 3046 (8.40, 5.31, 54.03 ppm): 3 chemical-shift based assignments, quality = 0.83, support = 5.17, residual support = 25.9: O HN PHE 97 - HA MET 96 33.333% * 91.8287% (0.83 10.0 5.47 28.07) = 91.829% kept HN LEU 115 - HA MET 96 33.333% * 8.1543% (0.83 1.0 1.78 1.25) = 8.154% kept HN ASP- 113 - HA MET 96 33.333% * 0.0170% (0.15 1.0 0.02 0.02) = 0.017% Peak 3047 (9.31, 5.31, 54.03 ppm): 1 chemical-shift based assignment, quality = 0.519, support = 3.74, residual support = 105.1: O HN MET 96 - HA MET 96 100.000% *100.0000% (0.52 10.0 3.74 105.06) = 100.000% kept Peak 3048 (6.70, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.661, support = 1.4, residual support = 2.34: T HZ PHE 72 - HB2 MET 96 33.333% * 90.3157% (0.68 10.00 1.43 2.41) = 90.316% kept QD PHE 72 - HB2 MET 96 33.333% * 5.8569% (0.58 1.00 1.08 2.41) = 5.857% kept QE PHE 45 - HB2 MET 96 33.333% * 3.8274% (0.35 1.00 1.16 0.46) = 3.827% kept Peak 3049 (8.39, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 4.67, residual support = 23.0: HN PHE 97 - HB2 MET 96 33.333% * 80.9258% (0.89 5.47 28.07) = 80.926% kept HN LEU 115 - HB2 MET 96 33.333% * 18.9564% (0.89 1.28 1.25) = 18.956% kept HN ALA 12 - HB2 MET 96 33.333% * 0.1178% (0.35 0.02 0.02) = 0.118% Peak 3050 (9.31, 2.21, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.534, support = 3.62, residual support = 105.1: O HN MET 96 - HB2 MET 96 100.000% *100.0000% (0.53 10.0 3.62 105.06) = 100.000% kept Peak 3051 (6.72, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 0.75, residual support = 2.41: HZ PHE 72 - HB3 MET 96 100.000% *100.0000% (0.99 0.75 2.41) = 100.000% kept Peak 3052 (9.31, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.534, support = 3.32, residual support = 105.1: O HN MET 96 - HB3 MET 96 100.000% *100.0000% (0.53 10.0 3.32 105.06) = 100.000% kept Peak 3053 (0.74, 2.21, 36.87 ppm): 6 chemical-shift based assignments, quality = 0.812, support = 1.18, residual support = 3.93: QG1 VAL 43 - HB2 MET 96 16.667% * 36.1977% (0.63 1.91 10.33) = 36.198% kept QG2 THR 46 - HB2 MET 96 16.667% * 26.6955% (0.97 0.91 0.38) = 26.696% kept QG2 VAL 18 - HB2 MET 96 16.667% * 19.1680% (0.89 0.72 0.34) = 19.168% kept QD1 ILE 19 - HB2 MET 96 16.667% * 17.2637% (0.89 0.64 0.11) = 17.264% kept QD2 LEU 104 - HB2 MET 96 16.667% * 0.4365% (0.73 0.02 0.02) = 0.437% QG1 VAL 41 - HB2 MET 96 16.667% * 0.2384% (0.40 0.02 0.02) = 0.238% Peak 3054 (0.08, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 1.32, residual support = 2.63: QG2 VAL 83 - HB2 MET 96 33.333% * 54.2312% (0.89 1.18 1.49) = 54.231% kept QD1 ILE 89 - HB2 MET 96 33.333% * 44.8535% (0.58 1.50 4.07) = 44.854% kept QD2 LEU 31 - HB2 MET 96 33.333% * 0.9153% (0.89 0.02 0.02) = 0.915% Peak 3055 (0.10, 1.93, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.569, support = 1.46, residual support = 3.96: T QD1 ILE 89 - HB3 MET 96 50.000% * 95.7710% (0.58 10.00 1.46 4.07) = 95.771% kept QG2 VAL 83 - HB3 MET 96 50.000% * 4.2290% (0.28 1.00 1.35 1.49) = 4.229% kept Peak 3056 (8.39, 2.61, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.889, support = 4.13, residual support = 20.2: HN PHE 97 - HG2 MET 96 16.667% * 70.6242% (0.89 5.00 28.07) = 70.624% kept HN LEU 115 - HG2 MET 96 16.667% * 29.1342% (0.89 2.06 1.25) = 29.134% kept HN ALA 12 - HG2 MET 96 16.667% * 0.1124% (0.35 0.02 0.02) = 0.112% HN LEU 115 - HB2 PRO 52 16.667% * 0.0539% (0.17 0.02 0.02) = 0.054% HN PHE 97 - HB2 PRO 52 16.667% * 0.0539% (0.17 0.02 0.02) = 0.054% HN ALA 12 - HB2 PRO 52 16.667% * 0.0214% (0.07 0.02 0.02) = 0.021% Peak 3057 (8.40, 2.47, 32.67 ppm): 3 chemical-shift based assignments, quality = 0.403, support = 4.14, residual support = 21.8: HN PHE 97 - HG3 MET 96 33.333% * 76.7541% (0.42 5.00 28.07) = 76.754% kept HN LEU 115 - HG3 MET 96 33.333% * 19.4139% (0.42 1.27 1.25) = 19.414% kept HN ASP- 113 - HG3 MET 96 33.333% * 3.8320% (0.08 1.35 0.02) = 3.832% kept Peak 3058 (1.19, 2.61, 32.67 ppm): 8 chemical-shift based assignments, quality = 0.923, support = 1.23, residual support = 5.2: HB3 LYS+ 112 - HG2 MET 96 12.500% * 54.0808% (0.97 1.66 6.44) = 54.081% kept HD2 LYS+ 112 - HG2 MET 96 12.500% * 25.5330% (0.81 0.93 6.44) = 25.533% kept QG2 THR 94 - HG2 MET 96 12.500% * 17.1273% (0.99 0.52 0.33) = 17.127% kept HB3 LEU 71 - HG2 MET 96 12.500% * 2.8105% (0.73 0.12 0.53) = 2.810% kept QG2 THR 94 - HB2 PRO 52 12.500% * 0.1265% (0.19 0.02 0.02) = 0.126% HB3 LYS+ 112 - HB2 PRO 52 12.500% * 0.1245% (0.19 0.02 0.02) = 0.124% HD2 LYS+ 112 - HB2 PRO 52 12.500% * 0.1044% (0.16 0.02 0.02) = 0.104% HB3 LEU 71 - HB2 PRO 52 12.500% * 0.0930% (0.14 0.02 0.02) = 0.093% Peak 3059 (0.98, 2.61, 32.67 ppm): 16 chemical-shift based assignments, quality = 0.857, support = 0.899, residual support = 0.296: QD2 LEU 40 - HG2 MET 96 6.250% * 33.1857% (0.92 1.23 0.53) = 33.186% kept QD1 LEU 67 - HG2 MET 96 6.250% * 23.6356% (0.95 0.85 0.35) = 23.636% kept QG2 ILE 103 - HG2 MET 96 6.250% * 14.9814% (1.00 0.51 0.11) = 14.981% kept HG3 LYS+ 74 - HG2 MET 96 6.250% * 14.4368% (0.99 0.50 0.10) = 14.437% kept HB VAL 75 - HG2 MET 96 6.250% * 9.7015% (0.24 1.36 0.02) = 9.702% kept QD1 ILE 103 - HG2 MET 96 6.250% * 3.0936% (0.35 0.30 0.11) = 3.094% kept QD2 LEU 71 - HG2 MET 96 6.250% * 0.2849% (0.49 0.02 0.53) = 0.285% QG2 ILE 103 - HB2 PRO 52 6.250% * 0.1114% (0.19 0.02 0.02) = 0.111% HG3 LYS+ 74 - HB2 PRO 52 6.250% * 0.1103% (0.19 0.02 0.02) = 0.110% QG2 ILE 119 - HG2 MET 96 6.250% * 0.1077% (0.18 0.02 0.02) = 0.108% QD1 LEU 67 - HB2 PRO 52 6.250% * 0.1061% (0.18 0.02 0.02) = 0.106% QD2 LEU 40 - HB2 PRO 52 6.250% * 0.1031% (0.18 0.02 0.02) = 0.103% QD2 LEU 71 - HB2 PRO 52 6.250% * 0.0544% (0.09 0.02 0.02) = 0.054% QD1 ILE 103 - HB2 PRO 52 6.250% * 0.0396% (0.07 0.02 0.02) = 0.040% HB VAL 75 - HB2 PRO 52 6.250% * 0.0272% (0.05 0.02 0.02) = 0.027% QG2 ILE 119 - HB2 PRO 52 6.250% * 0.0206% (0.04 0.02 0.02) = 0.021% Peak 3060 (1.37, 2.47, 32.67 ppm): 12 chemical-shift based assignments, quality = 0.446, support = 1.13, residual support = 4.96: HB2 LYS+ 112 - HG3 MET 96 8.333% * 75.5053% (0.48 1.46 6.44) = 75.505% kept HG3 LYS+ 102 - HG3 MET 96 8.333% * 5.7679% (0.46 0.12 0.02) = 5.768% kept HB3 LEU 73 - HG3 MET 96 8.333% * 5.4525% (0.45 0.11 0.02) = 5.453% kept HG3 LYS+ 106 - HG3 MET 96 8.333% * 4.9286% (0.49 0.09 2.07) = 4.929% kept HG LEU 98 - HG3 MET 96 8.333% * 2.9896% (0.14 0.21 0.02) = 2.990% kept HB3 PRO 93 - HG3 MET 96 8.333% * 1.8188% (0.21 0.08 0.02) = 1.819% kept HB VAL 42 - HG3 MET 96 8.333% * 0.8954% (0.42 0.02 0.02) = 0.895% HG3 LYS+ 65 - HG3 MET 96 8.333% * 0.8954% (0.42 0.02 0.02) = 0.895% HG3 LYS+ 33 - HG3 MET 96 8.333% * 0.8083% (0.38 0.02 0.02) = 0.808% QB ALA 84 - HG3 MET 96 8.333% * 0.4154% (0.19 0.02 0.02) = 0.415% QB ALA 12 - HG3 MET 96 8.333% * 0.3299% (0.15 0.02 0.02) = 0.330% QB ALA 124 - HG3 MET 96 8.333% * 0.1927% (0.09 0.02 0.02) = 0.193% Peak 3061 (1.19, 2.47, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.411, support = 2.78, residual support = 6.15: T HD2 LYS+ 112 - HG3 MET 96 25.000% * 78.6699% (0.40 10.00 2.73 6.44) = 78.670% kept HB3 LYS+ 112 - HG3 MET 96 25.000% * 16.5972% (0.47 1.00 3.54 6.44) = 16.597% kept QG2 THR 94 - HG3 MET 96 25.000% * 4.3287% (0.48 1.00 0.91 0.33) = 4.329% kept HB3 LEU 71 - HG3 MET 96 25.000% * 0.4042% (0.35 1.00 0.12 0.53) = 0.404% Peak 3062 (0.98, 2.47, 32.67 ppm): 8 chemical-shift based assignments, quality = 0.419, support = 0.786, residual support = 0.296: QD2 LEU 40 - HG3 MET 96 12.500% * 33.0768% (0.45 1.08 0.53) = 33.077% kept QD1 LEU 67 - HG3 MET 96 12.500% * 23.4925% (0.46 0.74 0.35) = 23.492% kept QG2 ILE 103 - HG3 MET 96 12.500% * 15.2120% (0.49 0.46 0.11) = 15.212% kept HG3 LYS+ 74 - HG3 MET 96 12.500% * 14.5195% (0.48 0.44 0.10) = 14.519% kept HB VAL 75 - HG3 MET 96 12.500% * 9.3264% (0.12 1.15 0.02) = 9.326% kept QD1 ILE 103 - HG3 MET 96 12.500% * 3.9271% (0.17 0.33 0.11) = 3.927% kept QD2 LEU 71 - HG3 MET 96 12.500% * 0.3235% (0.24 0.02 0.53) = 0.323% QG2 ILE 119 - HG3 MET 96 12.500% * 0.1223% (0.09 0.02 0.02) = 0.122% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3063 (9.70, 5.36, 56.63 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 9.57: O HN LEU 98 - HA PHE 97 100.000% *100.0000% (0.73 10.0 3.16 9.57) = 100.000% kept Peak 3064 (8.40, 5.36, 56.63 ppm): 3 chemical-shift based assignments, quality = 0.855, support = 4.08, residual support = 53.0: O HN PHE 97 - HA PHE 97 33.333% * 94.6038% (0.85 10.0 4.25 55.98) = 94.604% kept HN LEU 115 - HA PHE 97 33.333% * 5.3787% (0.85 1.0 1.14 0.64) = 5.379% kept HN ASP- 113 - HA PHE 97 33.333% * 0.0175% (0.16 1.0 0.02 0.02) = 0.018% Peak 3065 (7.15, 2.99, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 2.43, residual support = 55.9: O T QD PHE 97 - HB2 PHE 97 50.000% * 99.9226% (0.31 10.0 10.00 2.44 55.98) = 99.923% kept HZ3 TRP 87 - HB2 PHE 97 50.000% * 0.0774% (0.24 1.0 1.00 0.02 0.02) = 0.077% Peak 3066 (7.80, 2.99, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.91, support = 7.69, residual support = 45.2: HN ASP- 105 - HB2 PHE 97 50.000% * 98.1090% (0.92 7.83 46.07) = 98.109% kept HN ALA 88 - HB2 PHE 97 50.000% * 1.8910% (0.24 0.57 0.02) = 1.891% kept Peak 3067 (8.40, 2.99, 40.60 ppm): 3 chemical-shift based assignments, quality = 0.855, support = 4.18, residual support = 52.1: O HN PHE 97 - HB2 PHE 97 33.333% * 93.0746% (0.85 10.0 4.38 55.98) = 93.075% kept HN LEU 115 - HB2 PHE 97 33.333% * 6.9082% (0.85 1.0 1.48 0.64) = 6.908% kept HN ASP- 113 - HB2 PHE 97 33.333% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 3068 (1.86, 2.99, 40.60 ppm): 12 chemical-shift based assignments, quality = 0.876, support = 3.05, residual support = 30.6: T HB3 ASP- 105 - HB2 PHE 97 8.333% * 56.4488% (0.99 10.00 3.63 46.07) = 56.449% kept T QB LYS+ 106 - HB2 PHE 97 8.333% * 41.5183% (0.73 10.00 2.37 10.98) = 41.518% kept HB ILE 103 - HB2 PHE 97 8.333% * 1.7197% (1.00 1.00 0.60 0.02) = 1.720% kept HG3 PRO 68 - HB2 PHE 97 8.333% * 0.0570% (1.00 1.00 0.02 0.02) = 0.057% HG2 ARG+ 54 - HB2 PHE 97 8.333% * 0.0570% (1.00 1.00 0.02 0.02) = 0.057% QB LYS+ 33 - HB2 PHE 97 8.333% * 0.0528% (0.92 1.00 0.02 0.02) = 0.053% HB3 GLN 90 - HB2 PHE 97 8.333% * 0.0489% (0.85 1.00 0.02 0.02) = 0.049% QB LYS+ 81 - HB2 PHE 97 8.333% * 0.0441% (0.77 1.00 0.02 0.02) = 0.044% HG LEU 123 - HB2 PHE 97 8.333% * 0.0159% (0.28 1.00 0.02 0.02) = 0.016% HB3 PRO 52 - HB2 PHE 97 8.333% * 0.0159% (0.28 1.00 0.02 0.02) = 0.016% HB ILE 56 - HB2 PHE 97 8.333% * 0.0139% (0.24 1.00 0.02 0.02) = 0.014% HB3 LYS+ 38 - HB2 PHE 97 8.333% * 0.0077% (0.14 1.00 0.02 0.02) = 0.008% Peak 3069 (1.01, 2.99, 40.60 ppm): 5 chemical-shift based assignments, quality = 0.423, support = 2.72, residual support = 4.67: T HB2 LEU 104 - HB2 PHE 97 20.000% * 55.0407% (0.18 10.00 3.48 6.15) = 55.041% kept HB VAL 75 - HB2 PHE 97 20.000% * 28.4709% (0.92 1.00 2.06 3.42) = 28.471% kept QD1 ILE 119 - HB2 PHE 97 20.000% * 8.0298% (0.49 1.00 1.10 2.15) = 8.030% kept QD2 LEU 40 - HB2 PHE 97 20.000% * 6.5216% (0.24 1.00 1.79 2.11) = 6.522% kept QD1 LEU 67 - HB2 PHE 97 20.000% * 1.9369% (0.21 1.00 0.61 0.11) = 1.937% kept Peak 3070 (1.01, 2.36, 40.60 ppm): 5 chemical-shift based assignments, quality = 0.41, support = 1.68, residual support = 2.78: T QD2 LEU 40 - HB3 PHE 97 20.000% * 56.0968% (0.23 10.00 1.48 2.11) = 56.097% kept HB VAL 75 - HB3 PHE 97 20.000% * 28.5368% (0.85 1.00 1.98 3.42) = 28.537% kept HB2 LEU 104 - HB3 PHE 97 20.000% * 8.3485% (0.17 1.00 2.91 6.15) = 8.349% kept QD1 ILE 119 - HB3 PHE 97 20.000% * 5.0507% (0.45 1.00 0.67 2.15) = 5.051% kept QD1 LEU 67 - HB3 PHE 97 20.000% * 1.9672% (0.20 1.00 0.59 0.11) = 1.967% kept Peak 3071 (7.13, 2.36, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.818, support = 2.7, residual support = 55.7: O T QD PHE 97 - HB3 PHE 97 50.000% * 99.4157% (0.82 10.0 10.00 2.71 55.98) = 99.416% kept HZ3 TRP 87 - HB3 PHE 97 50.000% * 0.5843% (0.75 1.0 1.00 0.13 0.02) = 0.584% Peak 3072 (7.82, 2.36, 40.60 ppm): 3 chemical-shift based assignments, quality = 0.323, support = 4.88, residual support = 45.5: HN ASP- 105 - HB3 PHE 97 33.333% * 98.8054% (0.33 4.94 46.07) = 98.805% kept HN ALA 88 - HB3 PHE 97 33.333% * 0.9194% (0.75 0.02 0.02) = 0.919% HN PHE 55 - HB3 PHE 97 33.333% * 0.2752% (0.23 0.02 0.02) = 0.275% Peak 3073 (8.40, 2.36, 40.60 ppm): 3 chemical-shift based assignments, quality = 0.789, support = 4.55, residual support = 53.9: O HN PHE 97 - HB3 PHE 97 33.333% * 96.1544% (0.79 10.0 4.70 55.98) = 96.154% kept HN LEU 115 - HB3 PHE 97 33.333% * 3.8278% (0.79 1.0 0.80 0.64) = 3.828% kept HN ASP- 113 - HB3 PHE 97 33.333% * 0.0178% (0.15 1.0 0.02 0.02) = 0.018% Peak 3074 (1.87, 2.36, 40.60 ppm): 12 chemical-shift based assignments, quality = 0.703, support = 1.62, residual support = 23.4: QB LYS+ 106 - HB3 PHE 97 8.333% * 41.0132% (0.90 1.56 10.98) = 41.013% kept HB3 ASP- 105 - HB3 PHE 97 8.333% * 40.9626% (0.63 2.23 46.07) = 40.963% kept HB ILE 56 - HB3 PHE 97 8.333% * 7.4206% (0.75 0.34 0.02) = 7.421% kept HB2 MET 92 - HB3 PHE 97 8.333% * 4.4468% (0.23 0.67 0.02) = 4.447% kept HB3 GLN 30 - HB3 PHE 97 8.333% * 3.4354% (0.37 0.32 0.02) = 3.435% kept QB LYS+ 81 - HB3 PHE 97 8.333% * 0.5136% (0.88 0.02 0.02) = 0.514% HB3 GLN 90 - HB3 PHE 97 8.333% * 0.4818% (0.82 0.02 0.02) = 0.482% QB LYS+ 33 - HB3 PHE 97 8.333% * 0.4405% (0.75 0.02 0.02) = 0.440% HB3 LYS+ 38 - HB3 PHE 97 8.333% * 0.3410% (0.58 0.02 0.02) = 0.341% HG2 ARG+ 54 - HB3 PHE 97 8.333% * 0.3410% (0.58 0.02 0.02) = 0.341% HB ILE 103 - HB3 PHE 97 8.333% * 0.3148% (0.54 0.02 0.02) = 0.315% HG3 PRO 68 - HB3 PHE 97 8.333% * 0.2887% (0.49 0.02 0.02) = 0.289% Peak 3075 (1.80, 5.51, 53.84 ppm): 7 chemical-shift based assignments, quality = 0.692, support = 0.52, residual support = 5.42: QB LYS+ 102 - HA LEU 98 14.286% * 52.3773% (0.97 0.34 0.17) = 52.377% kept HB VAL 41 - HA LEU 98 14.286% * 36.0036% (0.24 0.94 14.79) = 36.004% kept QB LYS+ 65 - HA LEU 98 14.286% * 3.1437% (1.00 0.02 0.02) = 3.144% kept HB2 LEU 71 - HA LEU 98 14.286% * 3.1336% (1.00 0.02 0.02) = 3.134% kept HG2 PRO 93 - HA LEU 98 14.286% * 2.4259% (0.77 0.02 0.02) = 2.426% kept HB3 GLN 17 - HA LEU 98 14.286% * 1.5302% (0.49 0.02 0.02) = 1.530% kept QB LYS+ 66 - HA LEU 98 14.286% * 1.3857% (0.44 0.02 0.02) = 1.386% kept Peak 3076 (4.29, 5.51, 53.84 ppm): 11 chemical-shift based assignments, quality = 0.532, support = 1.84, residual support = 5.77: HA ILE 103 - HA LEU 98 9.091% * 52.5108% (0.63 2.15 7.15) = 52.511% kept HA LEU 104 - HA LEU 98 9.091% * 19.1449% (0.16 3.13 10.38) = 19.145% kept HA ASP- 86 - HA LEU 98 9.091% * 12.7610% (0.63 0.52 0.21) = 12.761% kept HA ALA 12 - HA LEU 98 9.091% * 10.1310% (0.68 0.39 0.02) = 10.131% kept HA SER 85 - HA LEU 98 9.091% * 2.8041% (0.77 0.09 0.02) = 2.804% kept HA MET 11 - HA LEU 98 9.091% * 0.6895% (0.89 0.02 0.02) = 0.690% HA ASP- 44 - HA LEU 98 9.091% * 0.6614% (0.85 0.02 0.02) = 0.661% HB THR 77 - HA LEU 98 9.091% * 0.5971% (0.77 0.02 0.02) = 0.597% HA GLU- 14 - HA LEU 98 9.091% * 0.4132% (0.53 0.02 0.02) = 0.413% HA GLU- 79 - HA LEU 98 9.091% * 0.1644% (0.21 0.02 0.02) = 0.164% HA THR 39 - HA LEU 98 9.091% * 0.1225% (0.16 0.02 0.02) = 0.122% Peak 3077 (7.80, 5.51, 53.84 ppm): 2 chemical-shift based assignments, quality = 0.915, support = 3.94, residual support = 8.03: HN ASP- 105 - HA LEU 98 50.000% * 99.1520% (0.92 3.97 8.10) = 99.152% kept HN ALA 88 - HA LEU 98 50.000% * 0.8480% (0.24 0.13 0.02) = 0.848% Peak 3078 (8.34, 5.51, 53.84 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 3.94, residual support = 14.8: O HN LYS+ 99 - HA LEU 98 25.000% * 99.8235% (0.73 10.0 3.95 14.84) = 99.823% kept HE1 HIS 122 - HA LEU 98 25.000% * 0.0867% (0.63 1.0 0.02 0.02) = 0.087% HN GLU- 14 - HA LEU 98 25.000% * 0.0606% (0.44 1.0 0.02 0.02) = 0.061% HN ASN 35 - HA LEU 98 25.000% * 0.0292% (0.21 1.0 0.02 0.02) = 0.029% Peak 3079 (9.38, 5.51, 53.84 ppm): 2 chemical-shift based assignments, quality = 0.883, support = 3.12, residual support = 10.2: HN LEU 104 - HA LEU 98 50.000% * 97.8530% (0.89 3.18 10.38) = 97.853% kept HN PHE 72 - HA LEU 98 50.000% * 2.1470% (0.49 0.13 0.02) = 2.147% kept Peak 3080 (9.69, 5.51, 53.84 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 4.58, residual support = 66.5: O HN LEU 98 - HA LEU 98 100.000% *100.0000% (0.97 10.0 4.58 66.48) = 100.000% kept Peak 3081 (1.84, 1.41, 47.50 ppm): 13 chemical-shift based assignments, quality = 0.314, support = 1.44, residual support = 11.4: T HB VAL 41 - QB LEU 98 7.692% * 71.1461% (0.29 10.00 1.77 14.79) = 71.146% kept T QB LYS+ 106 - QB LEU 98 7.692% * 9.7015% (0.15 10.00 0.46 0.02) = 9.701% kept HG12 ILE 103 - QB LEU 98 7.692% * 7.4939% (0.44 1.00 1.24 7.15) = 7.494% kept HB3 ASP- 105 - QB LEU 98 7.692% * 3.6339% (0.40 1.00 0.66 8.10) = 3.634% kept HB3 PRO 52 - QB LEU 98 7.692% * 3.3348% (0.70 1.00 0.34 0.02) = 3.335% kept HG LEU 123 - QB LEU 98 7.692% * 3.3348% (0.70 1.00 0.34 0.02) = 3.335% kept T QB LYS+ 33 - QB LEU 98 7.692% * 0.8051% (0.29 10.00 0.02 0.02) = 0.805% HG3 PRO 68 - QB LEU 98 7.692% * 0.1432% (0.51 1.00 0.02 0.02) = 0.143% HB ILE 103 - QB LEU 98 7.692% * 0.1322% (0.47 1.00 0.02 7.15) = 0.132% HG2 ARG+ 54 - QB LEU 98 7.692% * 0.1213% (0.44 1.00 0.02 0.02) = 0.121% HB3 GLN 90 - QB LEU 98 7.692% * 0.0631% (0.23 1.00 0.02 0.02) = 0.063% QB LYS+ 81 - QB LEU 98 7.692% * 0.0483% (0.17 1.00 0.02 0.02) = 0.048% QB LYS+ 66 - QB LEU 98 7.692% * 0.0418% (0.15 1.00 0.02 0.02) = 0.042% Peak 3082 (8.35, 1.41, 47.50 ppm): 3 chemical-shift based assignments, quality = 0.16, support = 3.41, residual support = 14.4: HN LYS+ 99 - QB LEU 98 33.333% * 96.9561% (0.15 3.52 14.84) = 96.956% kept HN ASN 35 - QB LEU 98 33.333% * 2.3130% (0.63 0.02 0.02) = 2.313% kept HN ALA 12 - QB LEU 98 33.333% * 0.7309% (0.20 0.02 0.02) = 0.731% Peak 3083 (9.02, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.792, support = 1.83, residual support = 14.8: HN VAL 41 - QB LEU 98 100.000% *100.0000% (0.79 1.83 14.79) = 100.000% kept Peak 3084 (9.69, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.792, support = 4.21, residual support = 66.5: O HN LEU 98 - QB LEU 98 100.000% *100.0000% (0.79 10.0 4.21 66.48) = 100.000% kept Peak 3085 (5.52, 1.35, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 4.04, residual support = 66.5: O HA LEU 98 - HG LEU 98 100.000% *100.0000% (0.58 10.0 4.04 66.48) = 100.000% kept Peak 3086 (9.69, 1.35, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.17, residual support = 66.5: HN LEU 98 - HG LEU 98 100.000% *100.0000% (0.97 3.17 66.48) = 100.000% kept Peak 3087 (4.31, 0.71, 25.69 ppm): 8 chemical-shift based assignments, quality = 0.702, support = 2.84, residual support = 9.45: T HA LEU 104 - QD1 LEU 98 12.500% * 90.9797% (0.68 10.00 3.05 10.38) = 90.980% kept HA ASP- 86 - QD1 LEU 98 12.500% * 5.5892% (1.00 1.00 0.84 0.21) = 5.589% kept HA ALA 12 - QD1 LEU 98 12.500% * 2.8811% (0.99 1.00 0.44 0.02) = 2.881% kept HA MET 11 - QD1 LEU 98 12.500% * 0.1832% (0.31 1.00 0.09 0.02) = 0.183% HA SER 85 - QD1 LEU 98 12.500% * 0.1676% (0.21 1.00 0.12 0.02) = 0.168% HA GLU- 14 - QD1 LEU 98 12.500% * 0.1336% (1.00 1.00 0.02 0.02) = 0.134% HA ASP- 44 - QD1 LEU 98 12.500% * 0.0373% (0.28 1.00 0.02 0.02) = 0.037% HB THR 77 - QD1 LEU 98 12.500% * 0.0285% (0.21 1.00 0.02 0.02) = 0.028% Peak 3088 (7.20, 0.71, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.601, support = 0.582, residual support = 0.567: QD PHE 59 - QD1 LEU 98 25.000% * 57.2143% (0.77 0.49 0.30) = 57.214% kept HE21 GLN 30 - QD1 LEU 98 25.000% * 39.9168% (0.35 0.75 0.99) = 39.917% kept HD1 TRP 27 - QD1 LEU 98 25.000% * 2.3165% (0.77 0.02 0.02) = 2.316% kept HH2 TRP 49 - QD1 LEU 98 25.000% * 0.5524% (0.18 0.02 0.02) = 0.552% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3089 (0.61, 1.77, 37.34 ppm): 5 chemical-shift based assignments, quality = 0.595, support = 2.57, residual support = 9.08: T QD1 LEU 104 - HB2 LYS+ 99 20.000% * 94.6574% (0.58 10.00 2.69 9.59) = 94.657% kept QG1 VAL 83 - HB2 LYS+ 99 20.000% * 4.3876% (1.00 1.00 0.54 0.02) = 4.388% kept QD2 LEU 80 - HB2 LYS+ 99 20.000% * 0.8381% (0.31 1.00 0.33 0.10) = 0.838% QG2 ILE 89 - HB2 LYS+ 99 20.000% * 0.0717% (0.44 1.00 0.02 0.02) = 0.072% QD2 LEU 115 - HB2 LYS+ 99 20.000% * 0.0452% (0.28 1.00 0.02 0.02) = 0.045% Peak 3090 (0.98, 1.77, 37.34 ppm): 8 chemical-shift based assignments, quality = 0.918, support = 1.73, residual support = 4.33: T QD2 LEU 40 - HB2 LYS+ 99 12.500% * 89.0350% (0.92 10.00 1.84 4.82) = 89.035% kept QG2 ILE 103 - HB2 LYS+ 99 12.500% * 6.1409% (1.00 1.00 1.18 0.57) = 6.141% kept QD1 ILE 103 - HB2 LYS+ 99 12.500% * 1.5592% (0.35 1.00 0.84 0.57) = 1.559% kept QD1 LEU 67 - HB2 LYS+ 99 12.500% * 1.5459% (0.95 1.00 0.31 0.02) = 1.546% kept HG3 LYS+ 74 - HB2 LYS+ 99 12.500% * 1.5364% (0.99 1.00 0.30 0.02) = 1.536% kept HB VAL 75 - HB2 LYS+ 99 12.500% * 0.1123% (0.24 1.00 0.09 0.02) = 0.112% QD2 LEU 71 - HB2 LYS+ 99 12.500% * 0.0510% (0.49 1.00 0.02 0.02) = 0.051% QG2 ILE 119 - HB2 LYS+ 99 12.500% * 0.0193% (0.18 1.00 0.02 0.02) = 0.019% Peak 3091 (8.35, 1.77, 37.34 ppm): 3 chemical-shift based assignments, quality = 0.183, support = 4.46, residual support = 142.8: O HN LYS+ 99 - HB2 LYS+ 99 33.333% * 99.4511% (0.18 10.0 4.48 143.60) = 99.451% kept HN ASN 35 - HB2 LYS+ 99 33.333% * 0.4171% (0.77 1.0 0.02 0.02) = 0.417% HN ALA 12 - HB2 LYS+ 99 33.333% * 0.1318% (0.24 1.0 0.02 0.02) = 0.132% Peak 3092 (8.34, 4.38, 58.15 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 4.67, residual support = 143.4: O HN LYS+ 99 - HA LYS+ 99 25.000% * 99.8235% (0.73 10.0 4.68 143.60) = 99.823% kept HE1 HIS 122 - HA LYS+ 99 25.000% * 0.0867% (0.63 1.0 0.02 0.02) = 0.087% HN GLU- 14 - HA LYS+ 99 25.000% * 0.0606% (0.44 1.0 0.02 0.02) = 0.061% HN ASN 35 - HA LYS+ 99 25.000% * 0.0292% (0.21 1.0 0.02 0.02) = 0.029% Peak 3093 (10.12, 4.38, 58.15 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 6.49, residual support = 27.0: O HN GLU- 100 - HA LYS+ 99 100.000% *100.0000% (0.77 10.0 6.49 26.98) = 100.000% kept Peak 3095 (3.01, 1.33, 26.01 ppm): 10 chemical-shift based assignments, quality = 0.835, support = 4.61, residual support = 149.1: O QE LYS+ 99 - HG2 LYS+ 99 10.000% * 77.5683% (0.99 10.0 4.83 143.60) = 77.568% kept O QE LYS+ 38 - HG2 LYS+ 38 10.000% * 19.5927% (0.25 10.0 4.34 192.34) = 19.593% kept QE LYS+ 38 - HG2 LYS+ 99 10.000% * 1.3900% (0.92 1.0 0.38 0.73) = 1.390% kept QE LYS+ 102 - HG2 LYS+ 99 10.000% * 1.1093% (0.68 1.0 0.42 0.45) = 1.109% kept QE LYS+ 99 - HG2 LYS+ 38 10.000% * 0.2797% (0.27 1.0 0.27 0.73) = 0.280% HB3 TRP 27 - HG2 LYS+ 99 10.000% * 0.0192% (0.24 1.0 0.02 0.02) = 0.019% HB2 PHE 97 - HG2 LYS+ 99 10.000% * 0.0167% (0.21 1.0 0.02 0.02) = 0.017% QE LYS+ 102 - HG2 LYS+ 38 10.000% * 0.0144% (0.18 1.0 0.02 0.59) = 0.014% HB3 TRP 27 - HG2 LYS+ 38 10.000% * 0.0052% (0.07 1.0 0.02 3.63) = 0.005% HB2 PHE 97 - HG2 LYS+ 38 10.000% * 0.0045% (0.06 1.0 0.02 0.02) = 0.005% Peak 3096 (4.38, 1.33, 26.01 ppm): 18 chemical-shift based assignments, quality = 0.682, support = 5.8, residual support = 120.6: O T HA LYS+ 99 - HG2 LYS+ 99 5.556% * 83.9378% (0.77 10.0 10.00 6.69 143.60) = 83.938% kept T HA LYS+ 99 - HG2 LYS+ 38 5.556% * 14.2174% (0.21 1.0 10.00 1.25 0.73) = 14.217% kept HA ASP- 113 - HG2 LYS+ 99 5.556% * 1.2711% (0.35 1.0 1.00 0.66 0.02) = 1.271% kept HA LEU 123 - HG2 LYS+ 99 5.556% * 0.1084% (1.00 1.0 1.00 0.02 0.02) = 0.108% HA ILE 56 - HG2 LYS+ 99 5.556% * 0.1033% (0.95 1.0 1.00 0.02 0.02) = 0.103% HA ASN 35 - HG2 LYS+ 99 5.556% * 0.1004% (0.92 1.0 1.00 0.02 0.02) = 0.100% HA LEU 40 - HG2 LYS+ 99 5.556% * 0.0479% (0.44 1.0 1.00 0.02 4.82) = 0.048% HA PRO 58 - HG2 LYS+ 99 5.556% * 0.0302% (0.28 1.0 1.00 0.02 0.02) = 0.030% HA LEU 123 - HG2 LYS+ 38 5.556% * 0.0293% (0.27 1.0 1.00 0.02 0.02) = 0.029% HA ILE 56 - HG2 LYS+ 38 5.556% * 0.0279% (0.26 1.0 1.00 0.02 0.02) = 0.028% HA ASN 35 - HG2 LYS+ 38 5.556% * 0.0271% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA GLU- 15 - HG2 LYS+ 99 5.556% * 0.0265% (0.24 1.0 1.00 0.02 0.02) = 0.027% HA SER 13 - HG2 LYS+ 99 5.556% * 0.0265% (0.24 1.0 1.00 0.02 0.02) = 0.027% HA LEU 40 - HG2 LYS+ 38 5.556% * 0.0130% (0.12 1.0 1.00 0.02 1.47) = 0.013% HA ASP- 113 - HG2 LYS+ 38 5.556% * 0.0104% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA PRO 58 - HG2 LYS+ 38 5.556% * 0.0082% (0.08 1.0 1.00 0.02 0.02) = 0.008% HA SER 13 - HG2 LYS+ 38 5.556% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 15 - HG2 LYS+ 38 5.556% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 3097 (4.41, 3.81, 57.72 ppm): 7 chemical-shift based assignments, quality = 0.804, support = 0.4, residual support = 0.287: HA THR 46 - HA GLU- 100 14.286% * 64.6394% (0.77 1.00 0.61 0.43) = 64.639% kept T HA PRO 58 - HA GLU- 100 14.286% * 24.5386% (0.89 10.00 0.02 0.02) = 24.539% kept HA SER 13 - HA GLU- 100 14.286% * 2.5418% (0.92 1.00 0.02 0.02) = 2.542% kept HA GLU- 15 - HA GLU- 100 14.286% * 2.5418% (0.92 1.00 0.02 0.02) = 2.542% kept HA LEU 40 - HA GLU- 100 14.286% * 1.9994% (0.73 1.00 0.02 0.02) = 1.999% kept HA GLN 17 - HA GLU- 100 14.286% * 1.8695% (0.68 1.00 0.02 0.02) = 1.869% kept HA SER 37 - HA GLU- 100 14.286% * 1.8695% (0.68 1.00 0.02 0.02) = 1.869% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3098 (8.85, 3.81, 57.72 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.67, residual support = 14.3: O HN GLY 101 - HA GLU- 100 100.000% *100.0000% (1.00 10.0 3.67 14.27) = 100.000% kept Peak 3099 (10.12, 3.81, 57.72 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 6.23, residual support = 72.2: O HN GLU- 100 - HA GLU- 100 100.000% *100.0000% (0.77 10.0 6.23 72.25) = 100.000% kept Peak 3100 (4.00, 2.37, 29.04 ppm): 9 chemical-shift based assignments, quality = 0.869, support = 0.0602, residual support = 0.0197: T HA LYS+ 33 - HB2 GLU- 100 11.111% * 21.6884% (1.00 10.00 0.02 0.02) = 21.688% kept T HA GLU- 29 - HB2 GLU- 100 11.111% * 21.1402% (0.97 10.00 0.02 0.02) = 21.140% kept HA VAL 18 - HB2 GLU- 100 11.111% * 17.6578% (0.95 1.00 0.17 0.02) = 17.658% kept T HA GLN 116 - HB2 GLU- 100 11.111% * 16.7899% (0.77 10.00 0.02 0.02) = 16.790% kept HA VAL 70 - HB2 GLU- 100 11.111% * 9.9043% (0.77 1.00 0.12 0.02) = 9.904% kept HB2 SER 82 - HB2 GLU- 100 11.111% * 7.3946% (0.89 1.00 0.08 0.02) = 7.395% kept T HA GLN 32 - HB2 GLU- 100 11.111% * 4.0035% (0.18 10.00 0.02 0.02) = 4.004% kept HA SER 48 - HB2 GLU- 100 11.111% * 0.9591% (0.44 1.00 0.02 0.02) = 0.959% HA ALA 88 - HB2 GLU- 100 11.111% * 0.4624% (0.21 1.00 0.02 0.47) = 0.462% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3103 (1.31, 2.23, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.612, support = 2.51, residual support = 12.3: HG2 LYS+ 99 - HG2 GLU- 100 25.000% * 44.9951% (0.31 4.59 26.98) = 44.995% kept QG2 THR 77 - HG2 GLU- 100 25.000% * 29.1502% (0.97 0.96 0.34) = 29.150% kept QB ALA 88 - HG2 GLU- 100 25.000% * 17.5295% (0.85 0.66 0.47) = 17.530% kept HG2 LYS+ 38 - HG2 GLU- 100 25.000% * 8.3252% (0.44 0.61 0.30) = 8.325% kept Peak 3104 (1.31, 2.12, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.563, support = 2.11, residual support = 13.0: HG2 LYS+ 99 - HG3 GLU- 100 25.000% * 47.3034% (0.31 3.75 26.98) = 47.303% kept QB ALA 88 - HG3 GLU- 100 25.000% * 25.4854% (0.85 0.74 0.47) = 25.485% kept QG2 THR 77 - HG3 GLU- 100 25.000% * 14.3083% (0.97 0.37 0.34) = 14.308% kept HG2 LYS+ 38 - HG3 GLU- 100 25.000% * 12.9029% (0.44 0.73 0.30) = 12.903% kept Peak 3105 (3.81, 2.12, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 4.29, residual support = 72.1: O HA GLU- 100 - HG3 GLU- 100 25.000% * 99.7696% (1.00 10.0 4.30 72.25) = 99.770% kept HA VAL 83 - HG3 GLU- 100 25.000% * 0.1001% (1.00 1.0 0.02 0.02) = 0.100% HD2 PRO 58 - HG3 GLU- 100 25.000% * 0.0988% (0.99 1.0 0.02 0.02) = 0.099% HB2 CYS 53 - HG3 GLU- 100 25.000% * 0.0315% (0.31 1.0 0.02 0.02) = 0.032% Peak 3106 (10.11, 2.12, 38.95 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.67, residual support = 72.2: HN GLU- 100 - HG3 GLU- 100 100.000% *100.0000% (0.95 3.67 72.25) = 100.000% kept Peak 3107 (10.12, 2.23, 38.95 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 5.93, residual support = 72.2: HN GLU- 100 - HG2 GLU- 100 100.000% *100.0000% (0.77 5.93 72.25) = 100.000% kept Peak 3108 (7.76, 1.81, 34.65 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 4.31, residual support = 126.1: O HN LYS+ 102 - QB LYS+ 102 12.500% * 99.3678% (1.00 10.0 4.34 126.90) = 99.368% kept HN GLU- 36 - QB LYS+ 102 12.500% * 0.4336% (0.95 1.0 0.09 0.34) = 0.434% HD1 TRP 87 - QB LYS+ 102 12.500% * 0.0532% (0.53 1.0 0.02 0.02) = 0.053% HN THR 39 - QB LYS+ 102 12.500% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HN LYS+ 102 - HB VAL 41 12.500% * 0.0325% (0.33 1.0 0.02 0.02) = 0.033% HN GLU- 36 - HB VAL 41 12.500% * 0.0310% (0.31 1.0 0.02 0.02) = 0.031% HD1 TRP 87 - HB VAL 41 12.500% * 0.0174% (0.17 1.0 0.02 0.02) = 0.017% HN THR 39 - HB VAL 41 12.500% * 0.0159% (0.16 1.0 0.02 0.16) = 0.016% Peak 3109 (8.62, 1.81, 34.65 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 4.63, residual support = 20.0: HN ILE 103 - QB LYS+ 102 16.667% * 92.2591% (1.00 4.99 21.70) = 92.259% kept HN GLN 90 - QB LYS+ 102 16.667% * 6.6945% (0.92 0.39 0.02) = 6.694% kept HN GLY 109 - QB LYS+ 102 16.667% * 0.7655% (0.40 0.10 0.02) = 0.766% HN ILE 103 - HB VAL 41 16.667% * 0.1211% (0.33 0.02 0.02) = 0.121% HN GLN 90 - HB VAL 41 16.667% * 0.1118% (0.30 0.02 0.02) = 0.112% HN GLY 109 - HB VAL 41 16.667% * 0.0480% (0.13 0.02 0.02) = 0.048% Peak 3110 (7.78, 1.45, 25.01 ppm): 3 chemical-shift based assignments, quality = 0.605, support = 3.93, residual support = 117.8: HN LYS+ 102 - HG2 LYS+ 102 33.333% * 92.8002% (0.63 4.19 126.90) = 92.800% kept HN ASP- 105 - HG2 LYS+ 102 33.333% * 5.9260% (0.24 0.69 0.02) = 5.926% kept HN GLU- 36 - HG2 LYS+ 102 33.333% * 1.2738% (0.40 0.09 0.34) = 1.274% kept Peak 3111 (3.95, 4.28, 62.30 ppm): 20 chemical-shift based assignments, quality = 0.647, support = 0.0349, residual support = 0.0361: T QB SER 85 - HA ILE 103 5.000% * 20.7124% (0.85 10.00 0.02 0.02) = 20.712% kept T QB SER 48 - HA ILE 103 5.000% * 19.7417% (0.81 10.00 0.02 0.02) = 19.742% kept HA ALA 120 - HA ILE 103 5.000% * 12.7283% (0.99 1.00 0.11 0.15) = 12.728% kept T HA2 GLY 51 - HA ILE 103 5.000% * 11.7933% (0.49 10.00 0.02 0.02) = 11.793% kept HB THR 94 - HA ILE 103 5.000% * 7.1011% (0.68 1.00 0.09 0.02) = 7.101% kept T QB SER 85 - HA THR 39 5.000% * 5.9442% (0.25 10.00 0.02 0.02) = 5.944% kept T QB SER 48 - HA THR 39 5.000% * 5.6656% (0.23 10.00 0.02 0.02) = 5.666% kept T HA2 GLY 51 - HA THR 39 5.000% * 3.3845% (0.14 10.00 0.02 0.02) = 3.385% kept T HD2 PRO 52 - HA ILE 103 5.000% * 3.2790% (0.14 10.00 0.02 0.02) = 3.279% kept HA2 GLY 16 - HA ILE 103 5.000% * 2.0712% (0.85 1.00 0.02 0.02) = 2.071% kept HA LYS+ 65 - HA ILE 103 5.000% * 1.8696% (0.77 1.00 0.02 0.02) = 1.870% kept HA LYS+ 121 - HA ILE 103 5.000% * 1.4108% (0.58 1.00 0.02 0.02) = 1.411% kept T HD2 PRO 52 - HA THR 39 5.000% * 0.9410% (0.04 10.00 0.02 0.02) = 0.941% HA ALA 120 - HA THR 39 5.000% * 0.6865% (0.28 1.00 0.02 0.02) = 0.686% HA2 GLY 16 - HA THR 39 5.000% * 0.5944% (0.25 1.00 0.02 0.33) = 0.594% HA LYS+ 65 - HA THR 39 5.000% * 0.5366% (0.22 1.00 0.02 0.02) = 0.537% QB SER 117 - HA ILE 103 5.000% * 0.5149% (0.21 1.00 0.02 0.02) = 0.515% HB THR 94 - HA THR 39 5.000% * 0.4721% (0.19 1.00 0.02 0.02) = 0.472% HA LYS+ 121 - HA THR 39 5.000% * 0.4049% (0.17 1.00 0.02 0.02) = 0.405% QB SER 117 - HA THR 39 5.000% * 0.1478% (0.06 1.00 0.02 0.02) = 0.148% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3113 (9.38, 4.28, 62.30 ppm): 4 chemical-shift based assignments, quality = 0.881, support = 5.31, residual support = 33.1: O HN LEU 104 - HA ILE 103 25.000% * 97.5624% (0.89 10.0 5.42 33.92) = 97.562% kept HN PHE 72 - HA ILE 103 25.000% * 2.3943% (0.49 1.0 0.90 0.11) = 2.394% kept HN LEU 104 - HA THR 39 25.000% * 0.0280% (0.26 1.0 0.02 0.02) = 0.028% HN PHE 72 - HA THR 39 25.000% * 0.0153% (0.14 1.0 0.02 0.02) = 0.015% Peak 3114 (7.75, 4.28, 62.30 ppm): 10 chemical-shift based assignments, quality = 0.34, support = 3.23, residual support = 26.2: O HN THR 39 - HA THR 39 10.000% * 74.1640% (0.28 10.0 3.28 28.39) = 74.164% kept HN LYS+ 102 - HA ILE 103 10.000% * 23.5170% (0.53 1.0 3.36 21.70) = 23.517% kept HD1 TRP 87 - HA THR 39 10.000% * 1.3801% (0.29 1.0 0.37 0.02) = 1.380% kept HD1 TRP 87 - HA ILE 103 10.000% * 0.2609% (1.00 1.0 0.02 0.67) = 0.261% HN THR 39 - HA ILE 103 10.000% * 0.2584% (0.99 1.0 0.02 0.02) = 0.258% HN GLU- 36 - HA ILE 103 10.000% * 0.2020% (0.77 1.0 0.02 0.02) = 0.202% HN TRP 27 - HA ILE 103 10.000% * 0.0928% (0.35 1.0 0.02 0.02) = 0.093% HN GLU- 36 - HA THR 39 10.000% * 0.0580% (0.22 1.0 0.02 1.11) = 0.058% HN LYS+ 102 - HA THR 39 10.000% * 0.0401% (0.15 1.0 0.02 0.02) = 0.040% HN TRP 27 - HA THR 39 10.000% * 0.0266% (0.10 1.0 0.02 0.02) = 0.027% Peak 3115 (0.69, 4.28, 62.30 ppm): 4 chemical-shift based assignments, quality = 0.619, support = 2.17, residual support = 4.53: QD1 LEU 98 - HA ILE 103 25.000% * 51.9914% (0.28 3.38 7.15) = 51.991% kept QG2 ILE 19 - HA ILE 103 25.000% * 47.6043% (1.00 0.86 1.72) = 47.604% kept QG2 ILE 19 - HA THR 39 25.000% * 0.3161% (0.29 0.02 0.02) = 0.316% QD1 LEU 98 - HA THR 39 25.000% * 0.0882% (0.08 0.02 0.02) = 0.088% Peak 3116 (7.78, 0.98, 18.17 ppm): 3 chemical-shift based assignments, quality = 0.544, support = 2.47, residual support = 17.2: HN LYS+ 102 - QG2 ILE 103 33.333% * 77.8092% (0.63 2.63 21.70) = 77.809% kept HN ASP- 105 - QG2 ILE 103 33.333% * 21.8194% (0.24 1.91 1.31) = 21.819% kept HN GLU- 36 - QG2 ILE 103 33.333% * 0.3714% (0.40 0.02 0.02) = 0.371% Peak 3117 (9.39, 0.98, 18.17 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 6.07, residual support = 33.9: HN LEU 104 - QG2 ILE 103 100.000% *100.0000% (0.85 6.07 33.92) = 100.000% kept Peak 3118 (8.62, 1.86, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 6.13, residual support = 112.8: O HN ILE 103 - HB ILE 103 33.333% * 92.1545% (1.00 10.0 6.53 122.30) = 92.154% kept HN GLN 90 - HB ILE 103 33.333% * 6.5080% (0.92 1.0 1.53 0.86) = 6.508% kept HN GLY 109 - HB ILE 103 33.333% * 1.3375% (0.40 1.0 0.73 0.02) = 1.338% kept Peak 3119 (4.31, 1.82, 28.60 ppm): 8 chemical-shift based assignments, quality = 0.48, support = 4.21, residual support = 33.0: HA LEU 104 - HG12 ILE 103 12.500% * 97.3486% (0.49 4.32 33.92) = 97.349% kept HA ASP- 86 - HG12 ILE 103 12.500% * 0.6609% (0.72 0.02 0.02) = 0.661% HA GLU- 14 - HG12 ILE 103 12.500% * 0.6609% (0.72 0.02 0.02) = 0.661% HA ALA 12 - HG12 ILE 103 12.500% * 0.6546% (0.72 0.02 0.02) = 0.655% HA MET 11 - HG12 ILE 103 12.500% * 0.2089% (0.23 0.02 0.02) = 0.209% HA ASP- 44 - HG12 ILE 103 12.500% * 0.1843% (0.20 0.02 0.02) = 0.184% HB THR 77 - HG12 ILE 103 12.500% * 0.1409% (0.15 0.02 0.02) = 0.141% HA SER 85 - HG12 ILE 103 12.500% * 0.1409% (0.15 0.02 0.02) = 0.141% Peak 3120 (8.62, 1.82, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.707, support = 5.93, residual support = 103.4: HN ILE 103 - HG12 ILE 103 33.333% * 84.4960% (0.73 6.83 122.30) = 84.496% kept HN GLN 90 - HG12 ILE 103 33.333% * 12.6543% (0.67 1.11 0.86) = 12.654% kept HN GLY 109 - HG12 ILE 103 33.333% * 2.8497% (0.29 0.58 0.02) = 2.850% kept Peak 3121 (1.18, 1.82, 28.60 ppm): 6 chemical-shift based assignments, quality = 0.457, support = 4.52, residual support = 121.9: O T HG13 ILE 103 - HG12 ILE 103 16.667% * 99.6853% (0.46 10.0 10.00 4.54 122.30) = 99.685% kept HB3 LYS+ 112 - HG12 ILE 103 16.667% * 0.1148% (0.53 1.0 1.00 0.02 0.02) = 0.115% QG2 THR 94 - HG12 ILE 103 16.667% * 0.1073% (0.49 1.0 1.00 0.02 0.02) = 0.107% HD2 LYS+ 112 - HG12 ILE 103 16.667% * 0.0385% (0.18 1.0 1.00 0.02 0.02) = 0.039% HB3 LEU 71 - HG12 ILE 103 16.667% * 0.0291% (0.13 1.0 1.00 0.02 0.02) = 0.029% QG2 VAL 107 - HG12 ILE 103 16.667% * 0.0250% (0.11 1.0 1.00 0.02 0.02) = 0.025% Peak 3122 (0.98, 1.82, 28.60 ppm): 8 chemical-shift based assignments, quality = 0.6, support = 5.96, residual support = 120.3: O QG2 ILE 103 - HG12 ILE 103 12.500% * 72.5757% (0.72 10.0 6.36 122.30) = 72.576% kept O QD1 ILE 103 - HG12 ILE 103 12.500% * 25.8169% (0.26 10.0 5.22 122.30) = 25.817% kept QD2 LEU 40 - HG12 ILE 103 12.500% * 1.1636% (0.67 1.0 0.35 0.02) = 1.164% kept HG3 LYS+ 74 - HG12 ILE 103 12.500% * 0.3080% (0.72 1.0 0.09 0.02) = 0.308% QD1 LEU 67 - HG12 ILE 103 12.500% * 0.0692% (0.69 1.0 0.02 0.02) = 0.069% QD2 LEU 71 - HG12 ILE 103 12.500% * 0.0354% (0.35 1.0 0.02 0.02) = 0.035% HB VAL 75 - HG12 ILE 103 12.500% * 0.0178% (0.18 1.0 0.02 0.02) = 0.018% QG2 ILE 119 - HG12 ILE 103 12.500% * 0.0134% (0.13 1.0 0.02 0.02) = 0.013% Peak 3123 (0.70, 1.82, 28.60 ppm): 2 chemical-shift based assignments, quality = 0.582, support = 3.26, residual support = 6.25: QD1 LEU 98 - HG12 ILE 103 50.000% * 83.4200% (0.62 3.68 7.15) = 83.420% kept QG2 ILE 19 - HG12 ILE 103 50.000% * 16.5800% (0.39 1.17 1.72) = 16.580% kept Peak 3124 (0.95, 1.16, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 4.73, residual support = 120.1: O QD1 ILE 103 - HG13 ILE 103 33.333% * 98.1630% (0.77 10.0 4.81 122.30) = 98.163% kept QG2 ILE 119 - HG13 ILE 103 33.333% * 1.7568% (0.95 1.0 0.29 0.02) = 1.757% kept QD2 LEU 71 - HG13 ILE 103 33.333% * 0.0802% (0.63 1.0 0.02 0.02) = 0.080% Peak 3125 (0.70, 1.16, 28.60 ppm): 2 chemical-shift based assignments, quality = 0.755, support = 1.42, residual support = 5.46: QD1 LEU 98 - HG13 ILE 103 50.000% * 68.9466% (0.85 1.55 7.15) = 68.947% kept QG2 ILE 19 - HG13 ILE 103 50.000% * 31.0534% (0.53 1.12 1.72) = 31.053% kept Peak 3126 (7.17, 0.96, 13.94 ppm): 4 chemical-shift based assignments, quality = 0.779, support = 0.749, residual support = 0.915: HH2 TRP 49 - QD1 ILE 103 25.000% * 79.6879% (0.85 0.90 1.14) = 79.688% kept HE21 GLN 30 - QD1 ILE 103 25.000% * 10.6826% (0.69 0.15 0.02) = 10.683% kept QD PHE 59 - QD1 ILE 103 25.000% * 6.0611% (0.32 0.18 0.02) = 6.061% kept HD1 TRP 27 - QD1 ILE 103 25.000% * 3.5684% (0.32 0.11 0.02) = 3.568% kept Peak 3127 (7.70, 0.96, 13.94 ppm): 5 chemical-shift based assignments, quality = 0.415, support = 0.488, residual support = 0.571: HE3 TRP 87 - QD1 ILE 103 20.000% * 60.4572% (0.39 0.67 0.67) = 60.457% kept HN TRP 87 - QD1 ILE 103 20.000% * 22.2154% (0.56 0.17 0.67) = 22.215% kept HN ALA 61 - QD1 ILE 103 20.000% * 11.6269% (0.14 0.36 0.13) = 11.627% kept HN GLN 17 - QD1 ILE 103 20.000% * 3.3247% (0.73 0.02 0.02) = 3.325% kept HD21 ASN 69 - QD1 ILE 103 20.000% * 2.3759% (0.52 0.02 0.02) = 2.376% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3128 (8.62, 0.96, 13.94 ppm): 3 chemical-shift based assignments, quality = 0.874, support = 5.33, residual support = 105.0: HN ILE 103 - QD1 ILE 103 33.333% * 85.7321% (0.89 6.07 122.30) = 85.732% kept HN GLN 90 - QD1 ILE 103 33.333% * 12.5886% (0.82 0.97 0.86) = 12.589% kept HN GLY 109 - QD1 ILE 103 33.333% * 1.6792% (0.35 0.30 0.02) = 1.679% kept Peak 3129 (4.29, 1.16, 28.60 ppm): 11 chemical-shift based assignments, quality = 0.603, support = 5.28, residual support = 117.0: O HA ILE 103 - HG13 ILE 103 9.091% * 94.3223% (0.63 10.0 5.39 122.30) = 94.322% kept HA LEU 104 - HG13 ILE 103 9.091% * 4.8546% (0.16 1.0 4.10 33.92) = 4.855% kept HA MET 11 - HG13 ILE 103 9.091% * 0.1333% (0.89 1.0 0.02 0.02) = 0.133% HA ASP- 44 - HG13 ILE 103 9.091% * 0.1278% (0.85 1.0 0.02 0.02) = 0.128% HA SER 85 - HG13 ILE 103 9.091% * 0.1154% (0.77 1.0 0.02 0.02) = 0.115% HB THR 77 - HG13 ILE 103 9.091% * 0.1154% (0.77 1.0 0.02 0.02) = 0.115% HA ALA 12 - HG13 ILE 103 9.091% * 0.1015% (0.68 1.0 0.02 0.02) = 0.102% HA ASP- 86 - HG13 ILE 103 9.091% * 0.0943% (0.63 1.0 0.02 0.02) = 0.094% HA GLU- 14 - HG13 ILE 103 9.091% * 0.0799% (0.53 1.0 0.02 0.02) = 0.080% HA GLU- 79 - HG13 ILE 103 9.091% * 0.0318% (0.21 1.0 0.02 0.02) = 0.032% HA THR 39 - HG13 ILE 103 9.091% * 0.0237% (0.16 1.0 0.02 0.02) = 0.024% Peak 3130 (8.62, 1.16, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.978, support = 5.19, residual support = 102.9: HN ILE 103 - HG13 ILE 103 33.333% * 84.0006% (1.00 5.99 122.30) = 84.001% kept HN GLN 90 - HG13 ILE 103 33.333% * 14.1631% (0.92 1.09 0.86) = 14.163% kept HN GLY 109 - HG13 ILE 103 33.333% * 1.8363% (0.40 0.33 0.02) = 1.836% kept Peak 3131 (8.60, 0.98, 18.17 ppm): 3 chemical-shift based assignments, quality = 0.561, support = 6.3, residual support = 111.5: HN ILE 103 - QG2 ILE 103 33.333% * 91.1305% (0.58 6.82 122.30) = 91.130% kept HN GLN 90 - QG2 ILE 103 33.333% * 8.4335% (0.35 1.04 0.86) = 8.434% kept HN GLY 109 - QG2 ILE 103 33.333% * 0.4360% (0.95 0.02 0.02) = 0.436% Peak 3132 (4.62, 1.86, 38.31 ppm): 2 chemical-shift based assignments, quality = 0.35, support = 3.69, residual support = 18.1: HA LYS+ 102 - HB ILE 103 50.000% * 83.5251% (0.24 4.38 21.70) = 83.525% kept HA ALA 20 - HB ILE 103 50.000% * 16.4749% (0.89 0.24 0.02) = 16.475% kept Peak 3133 (2.98, 1.04, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.745, support = 3.23, residual support = 5.57: T HB2 PHE 97 - HB2 LEU 104 20.000% * 86.7597% (0.75 10.00 3.48 6.15) = 86.760% kept QE LYS+ 106 - HB2 LEU 104 20.000% * 7.7411% (0.70 1.00 1.93 1.45) = 7.741% kept HB3 TRP 27 - HB2 LEU 104 20.000% * 5.2555% (0.73 1.00 1.25 2.42) = 5.255% kept QE LYS+ 99 - HB2 LEU 104 20.000% * 0.1845% (0.11 1.00 0.29 9.59) = 0.184% HB3 PHE 60 - HB2 LEU 104 20.000% * 0.0593% (0.51 1.00 0.02 0.02) = 0.059% Peak 3134 (7.80, 1.04, 43.48 ppm): 2 chemical-shift based assignments, quality = 0.751, support = 5.76, residual support = 22.2: HN ASP- 105 - HB2 LEU 104 50.000% * 99.9085% (0.75 5.77 22.25) = 99.908% kept HN ALA 88 - HB2 LEU 104 50.000% * 0.0915% (0.20 0.02 0.02) = 0.092% Peak 3135 (9.36, 1.04, 43.48 ppm): 2 chemical-shift based assignments, quality = 0.294, support = 6.58, residual support = 156.8: O HN LEU 104 - HB2 LEU 104 50.000% * 88.3990% (0.23 10.0 7.35 177.31) = 88.399% kept HN PHE 72 - HB2 LEU 104 50.000% * 11.6010% (0.81 1.0 0.73 0.29) = 11.601% kept Peak 3136 (9.38, 0.86, 43.48 ppm): 2 chemical-shift based assignments, quality = 0.599, support = 6.66, residual support = 173.6: O HN LEU 104 - HB3 LEU 104 50.000% * 97.9191% (0.61 10.0 6.79 177.31) = 97.919% kept HN PHE 72 - HB3 LEU 104 50.000% * 2.0809% (0.33 1.0 0.78 0.29) = 2.081% kept Peak 3137 (9.38, 1.53, 26.82 ppm): 2 chemical-shift based assignments, quality = 0.868, support = 6.77, residual support = 167.3: HN LEU 104 - HG LEU 104 50.000% * 94.3704% (0.89 7.13 177.31) = 94.370% kept HN PHE 72 - HG LEU 104 50.000% * 5.6296% (0.49 0.78 0.29) = 5.630% kept Peak 3138 (8.33, 1.53, 26.82 ppm): 5 chemical-shift based assignments, quality = 0.97, support = 1.14, residual support = 7.65: HN LYS+ 99 - HG LEU 104 20.000% * 78.1844% (0.97 1.37 9.59) = 78.184% kept HE1 HIS 122 - HG LEU 104 20.000% * 20.0226% (1.00 0.34 0.77) = 20.023% kept HN GLU- 14 - HG LEU 104 20.000% * 1.1383% (0.97 0.02 0.02) = 1.138% kept HN GLN 30 - HG LEU 104 20.000% * 0.3690% (0.31 0.02 1.54) = 0.369% HN ASP- 86 - HG LEU 104 20.000% * 0.2857% (0.24 0.02 0.02) = 0.286% Peak 3140 (9.36, 0.60, 26.08 ppm): 6 chemical-shift based assignments, quality = 0.32, support = 5.24, residual support = 119.9: HN LEU 104 - QD1 LEU 104 16.667% * 64.1843% (0.26 6.79 177.31) = 64.184% kept HN PHE 72 - QD1 LEU 73 16.667% * 18.4486% (0.12 4.30 30.03) = 18.449% kept HN PHE 72 - QD1 LEU 104 16.667% * 13.0097% (0.95 0.38 0.29) = 13.010% kept HN PHE 72 - QD1 LEU 63 16.667% * 4.3096% (0.12 1.00 12.77) = 4.310% kept HN LEU 104 - QD1 LEU 73 16.667% * 0.0239% (0.03 0.02 0.02) = 0.024% HN LEU 104 - QD1 LEU 63 16.667% * 0.0239% (0.03 0.02 0.02) = 0.024% Peak 3141 (1.75, 0.60, 26.08 ppm): 12 chemical-shift based assignments, quality = 0.267, support = 2.52, residual support = 8.86: T HB2 LYS+ 99 - QD1 LEU 104 8.333% * 92.2778% (0.26 10.00 2.69 9.59) = 92.278% kept HB VAL 43 - QD1 LEU 104 8.333% * 3.8972% (0.38 1.00 0.59 0.27) = 3.897% kept QD LYS+ 81 - QD1 LEU 104 8.333% * 2.8422% (0.30 1.00 0.54 0.13) = 2.842% kept HB VAL 43 - QD1 LEU 73 8.333% * 0.3744% (0.05 1.00 0.45 2.21) = 0.374% HB VAL 43 - QD1 LEU 63 8.333% * 0.3283% (0.05 1.00 0.39 0.02) = 0.328% HB ILE 89 - QD1 LEU 104 8.333% * 0.1045% (0.30 1.00 0.02 0.02) = 0.105% HB2 LYS+ 99 - QD1 LEU 63 8.333% * 0.0732% (0.03 1.00 0.13 0.02) = 0.073% HB2 LYS+ 99 - QD1 LEU 73 8.333% * 0.0494% (0.03 1.00 0.08 0.02) = 0.049% QD LYS+ 81 - QD1 LEU 73 8.333% * 0.0132% (0.04 1.00 0.02 0.69) = 0.013% QD LYS+ 81 - QD1 LEU 63 8.333% * 0.0132% (0.04 1.00 0.02 1.43) = 0.013% HB ILE 89 - QD1 LEU 73 8.333% * 0.0132% (0.04 1.00 0.02 0.02) = 0.013% HB ILE 89 - QD1 LEU 63 8.333% * 0.0132% (0.04 1.00 0.02 0.02) = 0.013% Peak 3142 (1.76, 0.73, 22.45 ppm): 6 chemical-shift based assignments, quality = 0.868, support = 1.44, residual support = 6.35: HB2 LYS+ 99 - QD2 LEU 104 16.667% * 65.5149% (0.85 1.00 1.97 9.59) = 65.515% kept QD LYS+ 81 - QD2 LEU 104 16.667% * 16.9794% (0.89 1.00 0.49 0.13) = 16.979% kept HB VAL 43 - QD2 LEU 104 16.667% * 16.4573% (0.95 1.00 0.44 0.27) = 16.457% kept T HB VAL 43 - QG2 VAL 18 16.667% * 0.8857% (0.11 10.00 0.02 0.02) = 0.886% QD LYS+ 81 - QG2 VAL 18 16.667% * 0.0831% (0.11 1.00 0.02 0.02) = 0.083% HB2 LYS+ 99 - QG2 VAL 18 16.667% * 0.0797% (0.10 1.00 0.02 0.02) = 0.080% Peak 3144 (1.87, 2.23, 47.73 ppm): 12 chemical-shift based assignments, quality = 0.686, support = 3.27, residual support = 29.9: O T HB3 ASP- 105 - HB2 ASP- 105 8.333% * 74.7487% (0.63 10.0 10.00 2.90 34.51) = 74.749% kept QB LYS+ 106 - HB2 ASP- 105 8.333% * 24.2952% (0.90 1.0 1.00 4.54 16.97) = 24.295% kept T HB2 MET 92 - HB2 ASP- 105 8.333% * 0.2685% (0.23 1.0 10.00 0.02 0.02) = 0.268% QB LYS+ 81 - HB2 ASP- 105 8.333% * 0.1046% (0.88 1.0 1.00 0.02 0.02) = 0.105% HB3 GLN 90 - HB2 ASP- 105 8.333% * 0.0981% (0.82 1.0 1.00 0.02 0.02) = 0.098% HB ILE 56 - HB2 ASP- 105 8.333% * 0.0897% (0.75 1.0 1.00 0.02 0.02) = 0.090% QB LYS+ 33 - HB2 ASP- 105 8.333% * 0.0897% (0.75 1.0 1.00 0.02 0.21) = 0.090% HB3 LYS+ 38 - HB2 ASP- 105 8.333% * 0.0694% (0.58 1.0 1.00 0.02 0.02) = 0.069% HG2 ARG+ 54 - HB2 ASP- 105 8.333% * 0.0694% (0.58 1.0 1.00 0.02 0.02) = 0.069% HB ILE 103 - HB2 ASP- 105 8.333% * 0.0641% (0.54 1.0 1.00 0.02 1.31) = 0.064% HG3 PRO 68 - HB2 ASP- 105 8.333% * 0.0588% (0.49 1.0 1.00 0.02 0.02) = 0.059% HB3 GLN 30 - HB2 ASP- 105 8.333% * 0.0437% (0.37 1.0 1.00 0.02 0.02) = 0.044% Peak 3145 (0.25, 2.23, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.407, support = 1.64, residual support = 2.94: T QG2 THR 118 - HB2 ASP- 105 100.000% *100.0000% (0.41 10.00 1.64 2.94) = 100.000% kept Peak 3146 (0.25, 1.86, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 1.15, residual support = 2.94: T QG2 THR 118 - HB3 ASP- 105 100.000% *100.0000% (0.44 10.00 1.15 2.94) = 100.000% kept Peak 3147 (2.98, 2.23, 47.73 ppm): 5 chemical-shift based assignments, quality = 0.818, support = 4.05, residual support = 29.0: HB2 PHE 97 - HB2 ASP- 105 20.000% * 48.7110% (0.85 4.81 46.07) = 48.711% kept QE LYS+ 106 - HB2 ASP- 105 20.000% * 38.1332% (0.79 4.07 16.97) = 38.133% kept HB3 TRP 27 - HB2 ASP- 105 20.000% * 12.4192% (0.82 1.27 0.83) = 12.419% kept QE LYS+ 99 - HB2 ASP- 105 20.000% * 0.5982% (0.12 0.40 0.02) = 0.598% HB3 PHE 60 - HB2 ASP- 105 20.000% * 0.1384% (0.58 0.02 0.02) = 0.138% Peak 3148 (3.00, 1.86, 47.73 ppm): 7 chemical-shift based assignments, quality = 0.684, support = 3.44, residual support = 36.5: T HB2 PHE 97 - HB3 ASP- 105 14.286% * 70.2561% (0.81 10.00 3.63 46.07) = 70.256% kept T QE LYS+ 106 - HB3 ASP- 105 14.286% * 23.9735% (0.28 10.00 3.45 16.97) = 23.973% kept HB3 TRP 27 - HB3 ASP- 105 14.286% * 4.1472% (0.85 1.00 1.13 0.83) = 4.147% kept QE LYS+ 99 - HB3 ASP- 105 14.286% * 1.5727% (0.63 1.00 0.58 0.02) = 1.573% kept QE LYS+ 38 - HB3 ASP- 105 14.286% * 0.0272% (0.31 1.00 0.02 0.02) = 0.027% QE LYS+ 102 - HB3 ASP- 105 14.286% * 0.0117% (0.14 1.00 0.02 0.02) = 0.012% HB3 PHE 60 - HB3 ASP- 105 14.286% * 0.0117% (0.14 1.00 0.02 0.02) = 0.012% Peak 3149 (4.79, 1.86, 47.73 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.63, residual support = 34.5: O T HA ASP- 105 - HB3 ASP- 105 33.333% * 99.9017% (0.81 10.0 10.00 2.63 34.51) = 99.902% kept HB THR 23 - HB3 ASP- 105 33.333% * 0.0597% (0.49 1.0 1.00 0.02 0.02) = 0.060% HA LEU 80 - HB3 ASP- 105 33.333% * 0.0386% (0.31 1.0 1.00 0.02 0.02) = 0.039% Peak 3150 (7.80, 1.86, 47.73 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 3.89, residual support = 34.5: O HN ASP- 105 - HB3 ASP- 105 50.000% * 99.9736% (0.92 10.0 3.89 34.51) = 99.974% kept HN ALA 88 - HB3 ASP- 105 50.000% * 0.0264% (0.24 1.0 0.02 0.02) = 0.026% Peak 3151 (8.99, 1.86, 47.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3152 (7.13, 2.23, 47.73 ppm): 2 chemical-shift based assignments, quality = 0.815, support = 3.03, residual support = 40.8: QD PHE 97 - HB2 ASP- 105 50.000% * 88.4243% (0.82 3.36 46.07) = 88.424% kept HZ3 TRP 87 - HB2 ASP- 105 50.000% * 11.5757% (0.75 0.48 0.11) = 11.576% kept Peak 3153 (7.80, 2.23, 47.73 ppm): 2 chemical-shift based assignments, quality = 0.852, support = 4.09, residual support = 34.5: O HN ASP- 105 - HB2 ASP- 105 50.000% * 99.9736% (0.85 10.0 4.10 34.51) = 99.974% kept HN ALA 88 - HB2 ASP- 105 50.000% * 0.0264% (0.23 1.0 0.02 0.02) = 0.026% Peak 3154 (8.99, 2.23, 47.73 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3155 (5.30, 5.63, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 1.04, residual support = 2.07: T HA MET 96 - HA LYS+ 106 50.000% * 99.9425% (0.81 10.00 1.04 2.07) = 99.942% kept HA PHE 72 - HA LYS+ 106 50.000% * 0.0575% (0.24 1.00 0.02 0.02) = 0.058% Peak 3156 (7.15, 5.63, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.305, support = 3.28, residual support = 9.39: QD PHE 97 - HA LYS+ 106 50.000% * 85.2736% (0.31 3.70 10.98) = 85.274% kept HZ3 TRP 87 - HA LYS+ 106 50.000% * 14.7264% (0.24 0.83 0.17) = 14.726% kept Peak 3157 (8.40, 5.63, 56.31 ppm): 3 chemical-shift based assignments, quality = 0.854, support = 2.97, residual support = 10.0: HN PHE 97 - HA LYS+ 106 33.333% * 91.2034% (0.85 3.23 10.98) = 91.203% kept HN LEU 115 - HA LYS+ 106 33.333% * 8.6920% (0.85 0.31 0.02) = 8.692% kept HN ASP- 113 - HA LYS+ 106 33.333% * 0.1046% (0.16 0.02 0.02) = 0.105% Peak 3158 (8.98, 5.63, 56.31 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 4.37, residual support = 100.0: O HN LYS+ 106 - HA LYS+ 106 100.000% *100.0000% (0.49 10.0 4.37 99.98) = 100.000% kept Peak 3159 (9.57, 5.63, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.986, support = 3.8, residual support = 21.0: O HN VAL 107 - HA LYS+ 106 50.000% * 99.8988% (0.99 10.0 3.80 21.07) = 99.899% kept HN GLY 51 - HA LYS+ 106 50.000% * 0.1012% (1.00 1.0 0.02 0.02) = 0.101% Peak 3160 (8.99, 1.87, 37.27 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3161 (9.57, 1.87, 37.27 ppm): 2 chemical-shift based assignments, quality = 0.983, support = 4.34, residual support = 21.0: HN VAL 107 - QB LYS+ 106 50.000% * 99.5377% (0.99 4.36 21.07) = 99.538% kept HN GLY 51 - QB LYS+ 106 50.000% * 0.4623% (1.00 0.02 0.02) = 0.462% Peak 3162 (1.39, 1.87, 37.27 ppm): 12 chemical-shift based assignments, quality = 0.575, support = 3.42, residual support = 62.9: O T HG3 LYS+ 106 - QB LYS+ 106 8.333% * 62.8334% (0.49 10.0 10.00 5.26 99.98) = 62.833% kept T QB LEU 98 - QB LYS+ 106 8.333% * 18.9070% (0.63 1.0 10.00 0.46 0.02) = 18.907% kept T HG3 LYS+ 33 - QB LYS+ 106 8.333% * 7.2558% (0.92 1.0 10.00 0.12 0.02) = 7.256% kept T HG3 LYS+ 102 - QB LYS+ 106 8.333% * 5.9135% (0.73 1.0 10.00 0.13 0.02) = 5.913% kept HB VAL 42 - QB LYS+ 106 8.333% * 2.0150% (0.85 1.0 1.00 0.37 1.06) = 2.015% kept HB3 LEU 73 - QB LYS+ 106 8.333% * 1.6742% (0.77 1.0 1.00 0.34 0.74) = 1.674% kept T HG3 LYS+ 65 - QB LYS+ 106 8.333% * 1.1035% (0.85 1.0 10.00 0.02 0.02) = 1.104% kept QB ALA 12 - QB LYS+ 106 8.333% * 0.1192% (0.92 1.0 1.00 0.02 0.02) = 0.119% HB2 LYS+ 112 - QB LYS+ 106 8.333% * 0.0814% (0.63 1.0 1.00 0.02 0.02) = 0.081% HB3 LYS+ 74 - QB LYS+ 106 8.333% * 0.0407% (0.31 1.0 1.00 0.02 0.02) = 0.041% HD3 LYS+ 121 - QB LYS+ 106 8.333% * 0.0359% (0.28 1.0 1.00 0.02 0.02) = 0.036% HB2 LEU 80 - QB LYS+ 106 8.333% * 0.0204% (0.16 1.0 1.00 0.02 0.02) = 0.020% Peak 3163 (1.03, 1.87, 37.27 ppm): 4 chemical-shift based assignments, quality = 0.906, support = 0.959, residual support = 1.54: QG2 VAL 108 - QB LYS+ 106 25.000% * 48.7974% (1.00 1.17 2.22) = 48.797% kept QD1 ILE 119 - QB LYS+ 106 25.000% * 26.0084% (0.68 0.91 0.35) = 26.008% kept HB2 LEU 104 - QB LYS+ 106 25.000% * 25.0156% (0.97 0.61 1.45) = 25.016% kept HG3 LYS+ 112 - QB LYS+ 106 25.000% * 0.1785% (0.21 0.02 0.02) = 0.179% Peak 3164 (1.16, 1.87, 37.27 ppm): 5 chemical-shift based assignments, quality = 0.673, support = 3.66, residual support = 19.0: QG2 VAL 107 - QB LYS+ 106 20.000% * 90.4106% (0.68 4.01 21.07) = 90.411% kept HG13 ILE 103 - QB LYS+ 106 20.000% * 5.2611% (1.00 0.16 0.02) = 5.261% kept QG2 THR 94 - QB LYS+ 106 20.000% * 3.9427% (0.16 0.75 0.02) = 3.943% kept HG2 LYS+ 121 - QB LYS+ 106 20.000% * 0.2634% (0.40 0.02 0.02) = 0.263% HB3 LYS+ 112 - QB LYS+ 106 20.000% * 0.1222% (0.18 0.02 0.02) = 0.122% Peak 3165 (7.32, 1.55, 25.23 ppm): 15 chemical-shift based assignments, quality = 0.363, support = 1.5, residual support = 20.5: HN LYS+ 81 - QG LYS+ 81 6.667% * 23.4329% (0.07 4.60 83.78) = 23.433% kept HE3 TRP 27 - HG2 LYS+ 33 6.667% * 19.0864% (0.97 0.27 0.02) = 19.086% kept HN LYS+ 81 - HG2 LYS+ 33 6.667% * 15.9646% (0.16 1.39 5.24) = 15.965% kept QD PHE 55 - QG LYS+ 81 6.667% * 11.6248% (0.41 0.39 0.02) = 11.625% kept HE3 TRP 27 - QG LYS+ 81 6.667% * 10.2311% (0.43 0.33 0.02) = 10.231% kept QE PHE 95 - HG2 LYS+ 106 6.667% * 10.0792% (0.24 0.58 0.02) = 10.079% kept HN THR 23 - QG LYS+ 81 6.667% * 2.3611% (0.18 0.19 0.02) = 2.361% kept HN LYS+ 81 - HG2 LYS+ 106 6.667% * 1.7644% (0.09 0.28 0.02) = 1.764% kept QD PHE 55 - HG2 LYS+ 33 6.667% * 1.3431% (0.92 0.02 0.02) = 1.343% kept QE PHE 95 - QG LYS+ 81 6.667% * 1.0977% (0.19 0.08 0.02) = 1.098% kept HE3 TRP 27 - HG2 LYS+ 106 6.667% * 0.7617% (0.52 0.02 0.02) = 0.762% QD PHE 55 - HG2 LYS+ 106 6.667% * 0.7237% (0.50 0.02 0.02) = 0.724% QE PHE 95 - HG2 LYS+ 33 6.667% * 0.6413% (0.44 0.02 0.02) = 0.641% HN THR 23 - HG2 LYS+ 33 6.667% * 0.5771% (0.40 0.02 0.02) = 0.577% HN THR 23 - HG2 LYS+ 106 6.667% * 0.3109% (0.21 0.02 0.02) = 0.311% Peak 3166 (8.00, 1.55, 25.23 ppm): 6 chemical-shift based assignments, quality = 0.314, support = 0.402, residual support = 0.354: HN GLU- 79 - HG2 LYS+ 33 16.667% * 46.4432% (0.44 0.27 0.32) = 46.443% kept HN GLU- 79 - QG LYS+ 81 16.667% * 46.1323% (0.19 0.60 0.45) = 46.132% kept HN VAL 70 - HG2 LYS+ 33 16.667% * 2.8008% (0.35 0.02 0.02) = 2.801% kept HN GLU- 79 - HG2 LYS+ 106 16.667% * 1.8759% (0.24 0.02 0.02) = 1.876% kept HN VAL 70 - HG2 LYS+ 106 16.667% * 1.5091% (0.19 0.02 0.02) = 1.509% kept HN VAL 70 - QG LYS+ 81 16.667% * 1.2388% (0.16 0.02 0.02) = 1.239% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3167 (5.66, 1.37, 25.37 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3168 (3.19, 2.40, 36.05 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 3.95, residual support = 29.2: T HB2 PHE 95 - HB VAL 107 100.000% *100.0000% (0.58 10.00 3.95 29.22) = 100.000% kept Peak 3169 (1.15, 2.40, 36.05 ppm): 4 chemical-shift based assignments, quality = 0.616, support = 3.03, residual support = 49.9: O T QG2 VAL 107 - HB VAL 107 25.000% * 98.9382% (0.62 10.0 10.00 3.06 50.44) = 98.938% kept QB ALA 20 - HB VAL 107 25.000% * 0.9130% (0.34 1.0 1.00 0.34 0.02) = 0.913% HG2 LYS+ 121 - HB VAL 107 25.000% * 0.0952% (0.60 1.0 1.00 0.02 0.02) = 0.095% HG13 ILE 103 - HB VAL 107 25.000% * 0.0535% (0.34 1.0 1.00 0.02 0.02) = 0.054% Peak 3171 (1.10, 2.40, 36.05 ppm): 3 chemical-shift based assignments, quality = 0.61, support = 3.55, residual support = 50.2: O T QG1 VAL 107 - HB VAL 107 33.333% * 99.5799% (0.61 10.0 10.00 3.57 50.44) = 99.580% kept HD3 LYS+ 112 - HB VAL 107 33.333% * 0.3288% (0.49 1.0 1.00 0.08 0.02) = 0.329% QG1 VAL 24 - HB VAL 107 33.333% * 0.0913% (0.56 1.0 1.00 0.02 0.02) = 0.091% Peak 3172 (0.59, 2.40, 36.05 ppm): 6 chemical-shift based assignments, quality = 0.555, support = 0.497, residual support = 0.936: QD2 LEU 115 - HB VAL 107 16.667% * 33.0826% (0.56 0.70 2.79) = 33.083% kept QD1 LEU 73 - HB VAL 107 16.667% * 21.5468% (0.61 0.42 0.02) = 21.547% kept QD1 LEU 63 - HB VAL 107 16.667% * 21.5468% (0.61 0.42 0.02) = 21.547% kept QD2 LEU 80 - HB VAL 107 16.667% * 17.2227% (0.54 0.38 0.02) = 17.223% kept QD2 LEU 63 - HB VAL 107 16.667% * 5.9811% (0.20 0.36 0.02) = 5.981% kept QD1 LEU 104 - HB VAL 107 16.667% * 0.6200% (0.37 0.02 0.02) = 0.620% Peak 3173 (7.03, 2.40, 36.05 ppm): 2 chemical-shift based assignments, quality = 0.506, support = 3.5, residual support = 28.7: QD PHE 95 - HB VAL 107 50.000% * 98.1130% (0.51 3.56 29.22) = 98.113% kept HN ALA 47 - HB VAL 107 50.000% * 1.8870% (0.10 0.35 0.02) = 1.887% kept Peak 3174 (7.15, 2.40, 36.05 ppm): 2 chemical-shift based assignments, quality = 0.188, support = 1.47, residual support = 2.1: QD PHE 97 - HB VAL 107 50.000% * 75.1084% (0.20 1.71 2.67) = 75.108% kept HZ3 TRP 87 - HB VAL 107 50.000% * 24.8916% (0.15 0.73 0.40) = 24.892% kept Not enough quality. Peak unassigned. Peak 3175 (9.57, 2.40, 36.05 ppm): 2 chemical-shift based assignments, quality = 0.622, support = 3.3, residual support = 50.4: O HN VAL 107 - HB VAL 107 50.000% * 99.8988% (0.62 10.0 3.30 50.44) = 99.899% kept HN GLY 51 - HB VAL 107 50.000% * 0.1012% (0.63 1.0 0.02 0.02) = 0.101% Peak 3176 (9.86, 2.40, 36.05 ppm): 1 chemical-shift based assignment, quality = 0.337, support = 3.1, residual support = 29.2: HN PHE 95 - HB VAL 107 100.000% *100.0000% (0.34 3.10 29.22) = 100.000% kept Peak 3177 (1.15, 1.09, 22.46 ppm): 4 chemical-shift based assignments, quality = 0.985, support = 3.49, residual support = 50.3: O QG2 VAL 107 - QG1 VAL 107 25.000% * 99.7960% (0.99 10.0 3.50 50.44) = 99.796% kept HG2 LYS+ 121 - QG1 VAL 107 25.000% * 0.0960% (0.95 1.0 0.02 0.02) = 0.096% QB ALA 20 - QG1 VAL 107 25.000% * 0.0540% (0.53 1.0 0.02 0.02) = 0.054% HG13 ILE 103 - QG1 VAL 107 25.000% * 0.0540% (0.53 1.0 0.02 0.02) = 0.054% Peak 3178 (2.39, 1.09, 22.46 ppm): 6 chemical-shift based assignments, quality = 0.532, support = 3.55, residual support = 50.2: O T HB VAL 107 - QG1 VAL 107 16.667% * 99.5945% (0.53 10.0 10.00 3.57 50.44) = 99.595% kept QG GLN 32 - QG1 VAL 107 16.667% * 0.1859% (1.00 1.0 1.00 0.02 0.02) = 0.186% QG GLU- 79 - QG1 VAL 107 16.667% * 0.1439% (0.77 1.0 1.00 0.02 0.02) = 0.144% QE LYS+ 112 - QG1 VAL 107 16.667% * 0.0252% (0.14 1.0 1.00 0.02 0.02) = 0.025% HB3 PHE 45 - QG1 VAL 107 16.667% * 0.0252% (0.14 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 100 - QG1 VAL 107 16.667% * 0.0252% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 3179 (2.39, 1.15, 21.16 ppm): 6 chemical-shift based assignments, quality = 0.528, support = 3.02, residual support = 49.7: O T HB VAL 107 - QG2 VAL 107 16.667% * 98.5488% (0.53 10.0 10.00 3.06 50.44) = 98.549% kept T QE LYS+ 112 - QG2 VAL 107 16.667% * 1.0750% (0.14 1.0 10.00 0.09 0.02) = 1.075% kept QG GLN 32 - QG2 VAL 107 16.667% * 0.1839% (1.00 1.0 1.00 0.02 0.02) = 0.184% QG GLU- 79 - QG2 VAL 107 16.667% * 0.1424% (0.77 1.0 1.00 0.02 0.02) = 0.142% HB3 PHE 45 - QG2 VAL 107 16.667% * 0.0250% (0.14 1.0 1.00 0.02 0.02) = 0.025% HB2 GLU- 100 - QG2 VAL 107 16.667% * 0.0250% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 3180 (2.01, 1.15, 21.16 ppm): 9 chemical-shift based assignments, quality = 0.529, support = 0.756, residual support = 2.36: T QB GLU- 114 - QG2 VAL 107 11.111% * 94.3250% (0.53 10.00 0.80 2.50) = 94.325% kept HB2 LYS+ 111 - QG2 VAL 107 11.111% * 2.1176% (0.99 1.00 0.10 0.02) = 2.118% kept HG3 GLN 30 - QG2 VAL 107 11.111% * 1.5828% (0.28 1.00 0.26 0.02) = 1.583% kept HB2 GLN 17 - QG2 VAL 107 11.111% * 0.4442% (1.00 1.00 0.02 0.02) = 0.444% QB GLU- 15 - QG2 VAL 107 11.111% * 0.4442% (1.00 1.00 0.02 0.02) = 0.444% HB3 GLU- 25 - QG2 VAL 107 11.111% * 0.4101% (0.92 1.00 0.02 0.02) = 0.410% HB3 PRO 68 - QG2 VAL 107 11.111% * 0.3226% (0.73 1.00 0.02 0.02) = 0.323% HB ILE 19 - QG2 VAL 107 11.111% * 0.1958% (0.44 1.00 0.02 0.02) = 0.196% HG2 PRO 68 - QG2 VAL 107 11.111% * 0.1575% (0.35 1.00 0.02 0.02) = 0.158% Peak 3181 (0.59, 1.09, 22.46 ppm): 6 chemical-shift based assignments, quality = 0.875, support = 1.09, residual support = 1.37: QD2 LEU 115 - QG1 VAL 107 16.667% * 48.7713% (0.89 1.76 2.79) = 48.771% kept QD1 LEU 73 - QG1 VAL 107 16.667% * 15.0631% (0.97 0.50 0.02) = 15.063% kept QD1 LEU 63 - QG1 VAL 107 16.667% * 15.0631% (0.97 0.50 0.02) = 15.063% kept QD2 LEU 80 - QG1 VAL 107 16.667% * 12.0401% (0.85 0.45 0.02) = 12.040% kept QD1 LEU 104 - QG1 VAL 107 16.667% * 6.1487% (0.58 0.34 0.02) = 6.149% kept QD2 LEU 63 - QG1 VAL 107 16.667% * 2.9137% (0.31 0.30 0.02) = 2.914% kept Peak 3182 (0.46, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.347, support = 0.719, residual support = 1.49: QG1 VAL 75 - QG2 VAL 107 50.000% * 52.4694% (0.44 0.55 0.32) = 52.469% kept QD1 LEU 115 - QG2 VAL 107 50.000% * 47.5306% (0.24 0.90 2.79) = 47.531% kept Peak 3183 (0.70, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.829, support = 0.13, residual support = 0.121: QD1 LEU 98 - QG2 VAL 107 50.000% * 91.7941% (0.85 0.14 0.13) = 91.794% kept QG2 ILE 19 - QG2 VAL 107 50.000% * 8.2059% (0.53 0.02 0.02) = 8.206% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3184 (4.50, 1.15, 21.16 ppm): 5 chemical-shift based assignments, quality = 0.311, support = 3.54, residual support = 49.4: O T HA VAL 107 - QG2 VAL 107 20.000% * 97.8377% (0.31 10.0 10.00 3.62 50.44) = 97.838% kept HA LYS+ 111 - QG2 VAL 107 20.000% * 1.5183% (0.21 1.0 1.00 0.46 0.02) = 1.518% kept HA PRO 52 - QG2 VAL 107 20.000% * 0.2531% (0.81 1.0 1.00 0.02 0.02) = 0.253% HA TRP 27 - QG2 VAL 107 20.000% * 0.2397% (0.77 1.0 1.00 0.02 0.33) = 0.240% HA ALA 91 - QG2 VAL 107 20.000% * 0.1512% (0.49 1.0 1.00 0.02 0.02) = 0.151% Peak 3185 (2.07, 1.09, 22.46 ppm): 7 chemical-shift based assignments, quality = 0.341, support = 2.91, residual support = 7.43: HB VAL 108 - QG1 VAL 107 14.286% * 84.1308% (0.31 3.42 8.83) = 84.131% kept HG2 PRO 58 - QG1 VAL 107 14.286% * 11.1692% (0.53 0.27 0.02) = 11.169% kept HB2 PRO 93 - QG1 VAL 107 14.286% * 1.2041% (0.77 0.02 0.02) = 1.204% kept HG2 MET 11 - QG1 VAL 107 14.286% * 1.0594% (0.68 0.02 0.02) = 1.059% kept HB2 GLU- 14 - QG1 VAL 107 14.286% * 0.9843% (0.63 0.02 0.02) = 0.984% HG3 PRO 52 - QG1 VAL 107 14.286% * 0.8334% (0.53 0.02 0.02) = 0.833% HB2 ARG+ 54 - QG1 VAL 107 14.286% * 0.6189% (0.40 0.02 0.02) = 0.619% Peak 3186 (4.14, 1.09, 22.46 ppm): 7 chemical-shift based assignments, quality = 0.835, support = 1.12, residual support = 1.95: HA GLU- 114 - QG1 VAL 107 14.286% * 40.7780% (0.89 1.39 2.50) = 40.778% kept HA ASN 28 - QG1 VAL 107 14.286% * 27.4838% (0.81 1.03 0.62) = 27.484% kept HA LEU 115 - QG1 VAL 107 14.286% * 27.2825% (0.85 0.97 2.79) = 27.283% kept HA THR 26 - QG1 VAL 107 14.286% * 3.0294% (0.49 0.19 0.02) = 3.029% kept HA1 GLY 101 - QG1 VAL 107 14.286% * 0.6485% (0.99 0.02 0.02) = 0.649% HA ALA 34 - QG1 VAL 107 14.286% * 0.6382% (0.97 0.02 0.02) = 0.638% HA ARG+ 54 - QG1 VAL 107 14.286% * 0.1396% (0.21 0.02 0.02) = 0.140% Peak 3187 (4.50, 1.09, 22.46 ppm): 5 chemical-shift based assignments, quality = 0.351, support = 3.57, residual support = 46.2: O T HA VAL 107 - QG1 VAL 107 20.000% * 91.4548% (0.31 10.0 10.00 3.84 50.44) = 91.455% kept HA TRP 27 - QG1 VAL 107 20.000% * 8.1056% (0.77 1.0 1.00 0.72 0.33) = 8.106% kept HA PRO 52 - QG1 VAL 107 20.000% * 0.2366% (0.81 1.0 1.00 0.02 0.02) = 0.237% HA ALA 91 - QG1 VAL 107 20.000% * 0.1413% (0.49 1.0 1.00 0.02 0.02) = 0.141% HA LYS+ 111 - QG1 VAL 107 20.000% * 0.0617% (0.21 1.0 1.00 0.02 0.02) = 0.062% Peak 3188 (7.17, 1.09, 22.46 ppm): 4 chemical-shift based assignments, quality = 0.4, support = 0.536, residual support = 0.296: HD1 TRP 27 - QG1 VAL 107 25.000% * 64.4221% (0.35 0.71 0.33) = 64.422% kept QD PHE 59 - QG1 VAL 107 25.000% * 26.7359% (0.35 0.29 0.31) = 26.736% kept HH2 TRP 49 - QG1 VAL 107 25.000% * 4.8791% (0.95 0.02 0.02) = 4.879% kept HE21 GLN 30 - QG1 VAL 107 25.000% * 3.9629% (0.77 0.02 0.02) = 3.963% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3189 (7.02, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.919, support = 3.1, residual support = 29.1: QD PHE 95 - QG2 VAL 107 50.000% * 99.5304% (0.92 3.12 29.22) = 99.530% kept HN ALA 47 - QG2 VAL 107 50.000% * 0.4696% (0.68 0.02 0.02) = 0.470% Peak 3190 (8.40, 1.15, 21.16 ppm): 3 chemical-shift based assignments, quality = 0.823, support = 1.16, residual support = 2.63: HN LEU 115 - QG2 VAL 107 33.333% * 62.8609% (0.85 1.42 2.79) = 62.861% kept HN PHE 97 - QG2 VAL 107 33.333% * 32.6296% (0.85 0.74 2.67) = 32.630% kept HN ASP- 113 - QG2 VAL 107 33.333% * 4.5095% (0.16 0.55 0.02) = 4.509% kept Peak 3191 (9.15, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.494, support = 2.26, residual support = 6.22: HN VAL 108 - QG2 VAL 107 50.000% * 62.1981% (0.44 2.84 8.83) = 62.198% kept HN VAL 43 - QG2 VAL 107 50.000% * 37.8019% (0.58 1.31 1.94) = 37.802% kept Peak 3192 (9.57, 1.09, 22.46 ppm): 2 chemical-shift based assignments, quality = 0.982, support = 3.74, residual support = 50.2: HN VAL 107 - QG1 VAL 107 50.000% * 99.4642% (0.99 3.76 50.44) = 99.464% kept HN GLY 51 - QG1 VAL 107 50.000% * 0.5358% (1.00 0.02 0.02) = 0.536% Peak 3193 (9.18, 1.09, 22.46 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 1.4, residual support = 1.94: HN VAL 43 - QG1 VAL 107 100.000% *100.0000% (0.58 1.40 1.94) = 100.000% kept Peak 3194 (8.75, 3.67, 43.34 ppm): 2 chemical-shift based assignments, quality = 0.986, support = 1.88, residual support = 5.35: O HN ALA 110 - HA2 GLY 109 50.000% * 99.8978% (0.99 10.0 1.88 5.36) = 99.898% kept HN PHE 45 - HA2 GLY 109 50.000% * 0.1022% (0.95 1.0 0.02 0.02) = 0.102% Peak 3195 (8.62, 3.67, 43.34 ppm): 3 chemical-shift based assignments, quality = 0.404, support = 2.04, residual support = 8.87: O HN GLY 109 - HA2 GLY 109 33.333% * 98.4557% (0.40 10.0 2.07 9.01) = 98.456% kept HN ILE 103 - HA2 GLY 109 33.333% * 1.3151% (1.00 1.0 0.11 0.02) = 1.315% kept HN GLN 90 - HA2 GLY 109 33.333% * 0.2292% (0.92 1.0 0.02 0.02) = 0.229% Peak 3196 (9.15, 2.05, 32.95 ppm): 2 chemical-shift based assignments, quality = 0.457, support = 3.68, residual support = 49.9: O HN VAL 108 - HB VAL 108 50.000% * 88.3030% (0.44 10.0 3.90 56.36) = 88.303% kept HN VAL 43 - HB VAL 108 50.000% * 11.6970% (0.58 1.0 2.01 0.87) = 11.697% kept Peak 3197 (8.63, 0.89, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.591, support = 0.688, residual support = 1.29: HN SER 82 - QG1 VAL 108 33.333% * 93.8432% (0.58 0.73 1.38) = 93.843% kept HN GLN 90 - QG1 VAL 108 33.333% * 3.5908% (0.81 0.02 0.02) = 3.591% kept HN ILE 103 - QG1 VAL 108 33.333% * 2.5660% (0.58 0.02 0.02) = 2.566% kept Peak 3198 (9.15, 0.89, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.475, support = 3.21, residual support = 42.7: HN VAL 108 - QG1 VAL 108 50.000% * 75.4673% (0.44 3.93 56.36) = 75.467% kept HN VAL 43 - QG1 VAL 108 50.000% * 24.5327% (0.58 0.97 0.87) = 24.533% kept Peak 3199 (9.15, 1.03, 20.80 ppm): 2 chemical-shift based assignments, quality = 0.479, support = 2.93, residual support = 41.3: HN VAL 108 - QG2 VAL 108 50.000% * 72.9469% (0.44 3.63 56.36) = 72.947% kept HN VAL 43 - QG2 VAL 108 50.000% * 27.0531% (0.58 1.02 0.87) = 27.053% kept Peak 3200 (8.65, 1.03, 20.80 ppm): 3 chemical-shift based assignments, quality = 0.627, support = 1.15, residual support = 1.04: HN SER 82 - QG2 VAL 108 33.333% * 71.2616% (0.58 1.45 1.38) = 71.262% kept HN SER 117 - QG2 VAL 108 33.333% * 27.1320% (0.73 0.44 0.21) = 27.132% kept HN GLY 16 - QG2 VAL 108 33.333% * 1.6064% (0.95 0.02 0.02) = 1.606% kept Peak 3201 (5.58, 0.89, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.679, support = 1.06, residual support = 1.3: HA LEU 73 - QG1 VAL 108 100.000% *100.0000% (0.68 1.06 1.30) = 100.000% kept Peak 3202 (5.60, 1.03, 20.80 ppm): 1 chemical-shift based assignment, quality = 0.158, support = 1.21, residual support = 2.22: HA LYS+ 106 - QG2 VAL 108 100.000% *100.0000% (0.16 1.21 2.22) = 100.000% kept Not enough quality. Peak unassigned. Peak 3203 (1.35, 1.53, 33.52 ppm): 12 chemical-shift based assignments, quality = 0.575, support = 5.9, residual support = 275.2: O HG2 LYS+ 111 - HB3 LYS+ 111 8.333% * 98.7386% (0.58 10.0 5.97 278.71) = 98.739% kept HB3 ASP- 44 - HB3 LYS+ 111 8.333% * 0.1690% (1.00 1.0 0.02 0.33) = 0.169% QB ALA 124 - HB3 LYS+ 111 8.333% * 0.1648% (0.97 1.0 0.02 0.02) = 0.165% HB2 LEU 63 - HB3 LYS+ 111 8.333% * 0.1611% (0.95 1.0 0.02 0.12) = 0.161% HG LEU 98 - HB3 LYS+ 111 8.333% * 0.1511% (0.89 1.0 0.02 0.02) = 0.151% HB3 LEU 80 - HB3 LYS+ 111 8.333% * 0.1450% (0.85 1.0 0.02 0.02) = 0.145% QB ALA 84 - HB3 LYS+ 111 8.333% * 0.1309% (0.77 1.0 0.02 0.02) = 0.131% HB3 PRO 93 - HB3 LYS+ 111 8.333% * 0.1231% (0.73 1.0 0.02 0.02) = 0.123% HB2 LEU 31 - HB3 LYS+ 111 8.333% * 0.1151% (0.68 1.0 0.02 0.02) = 0.115% HG2 LYS+ 99 - HB3 LYS+ 111 8.333% * 0.0471% (0.28 1.0 0.02 0.02) = 0.047% HG2 LYS+ 38 - HB3 LYS+ 111 8.333% * 0.0312% (0.18 1.0 0.02 0.02) = 0.031% HG3 LYS+ 106 - HB3 LYS+ 111 8.333% * 0.0229% (0.14 1.0 0.02 0.02) = 0.023% Peak 3204 (1.16, 1.53, 33.52 ppm): 5 chemical-shift based assignments, quality = 0.338, support = 2.47, residual support = 17.3: HB3 LYS+ 112 - HB3 LYS+ 111 20.000% * 67.2523% (0.18 3.52 25.68) = 67.252% kept QG2 VAL 107 - HB3 LYS+ 111 20.000% * 25.9778% (0.68 0.37 0.02) = 25.978% kept HG2 LYS+ 121 - HB3 LYS+ 111 20.000% * 4.3734% (0.40 0.11 0.28) = 4.373% kept HG13 ILE 103 - HB3 LYS+ 111 20.000% * 2.0682% (1.00 0.02 0.02) = 2.068% kept QG2 THR 94 - HB3 LYS+ 111 20.000% * 0.3285% (0.16 0.02 1.48) = 0.328% Peak 3205 (4.53, 1.53, 33.52 ppm): 2 chemical-shift based assignments, quality = 0.946, support = 6.87, residual support = 277.6: O HA LYS+ 111 - HB3 LYS+ 111 50.000% * 99.6068% (0.95 10.0 6.90 278.71) = 99.607% kept HA PRO 52 - HB3 LYS+ 111 50.000% * 0.3932% (0.35 1.0 0.21 0.02) = 0.393% Peak 3206 (7.57, 1.53, 33.52 ppm): 5 chemical-shift based assignments, quality = 0.626, support = 4.69, residual support = 276.4: O HN LYS+ 111 - HB3 LYS+ 111 20.000% * 99.1702% (0.63 10.0 4.73 278.71) = 99.170% kept HN ILE 56 - HB3 LYS+ 111 20.000% * 0.5526% (0.21 1.0 0.33 0.84) = 0.553% HE21 GLN 32 - HB3 LYS+ 111 20.000% * 0.1567% (1.00 1.0 0.02 0.02) = 0.157% HN ALA 84 - HB3 LYS+ 111 20.000% * 0.0992% (0.63 1.0 0.02 0.02) = 0.099% HN LEU 63 - HB3 LYS+ 111 20.000% * 0.0213% (0.14 1.0 0.02 0.12) = 0.021% Peak 3207 (7.58, 2.02, 33.52 ppm): 10 chemical-shift based assignments, quality = 0.98, support = 6.06, residual support = 265.4: O HN LYS+ 111 - HB2 LYS+ 111 10.000% * 95.2266% (1.00 10.0 6.33 278.71) = 95.227% kept HN LEU 63 - HB2 LYS+ 111 10.000% * 2.9064% (0.63 1.0 0.96 0.12) = 2.906% kept HN ILE 56 - HB2 LYS+ 111 10.000% * 1.6552% (0.77 1.0 0.45 0.84) = 1.655% kept HN ALA 84 - HB2 LYS+ 111 10.000% * 0.0952% (1.00 1.0 0.02 0.02) = 0.095% HE21 GLN 32 - HB2 LYS+ 111 10.000% * 0.0603% (0.63 1.0 0.02 0.02) = 0.060% HN ALA 84 - HG3 GLN 30 10.000% * 0.0139% (0.15 1.0 0.02 0.02) = 0.014% HN LYS+ 111 - HG3 GLN 30 10.000% * 0.0139% (0.15 1.0 0.02 0.02) = 0.014% HN ILE 56 - HG3 GLN 30 10.000% * 0.0108% (0.11 1.0 0.02 0.97) = 0.011% HN LEU 63 - HG3 GLN 30 10.000% * 0.0088% (0.09 1.0 0.02 0.02) = 0.009% HE21 GLN 32 - HG3 GLN 30 10.000% * 0.0088% (0.09 1.0 0.02 0.87) = 0.009% Peak 3208 (7.61, 1.33, 24.92 ppm): 5 chemical-shift based assignments, quality = 0.649, support = 0.267, residual support = 0.0911: HN LEU 63 - HG2 LYS+ 111 20.000% * 55.6878% (0.49 0.40 0.12) = 55.688% kept HD21 ASN 28 - HG2 LYS+ 111 20.000% * 32.4070% (0.99 0.12 0.02) = 32.407% kept QE PHE 60 - HG2 LYS+ 111 20.000% * 5.0122% (0.18 0.10 0.02) = 5.012% kept HZ2 TRP 87 - HG2 LYS+ 111 20.000% * 4.8721% (0.85 0.02 0.02) = 4.872% kept HN ILE 56 - HG2 LYS+ 111 20.000% * 2.0209% (0.35 0.02 0.84) = 2.021% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3209 (7.59, 1.22, 24.92 ppm): 12 chemical-shift based assignments, quality = 0.625, support = 4.22, residual support = 193.3: HN LYS+ 111 - HG3 LYS+ 111 8.333% * 69.3320% (0.53 5.82 278.71) = 69.332% kept HN LEU 63 - HG3 LYS+ 111 8.333% * 13.5423% (1.00 0.61 0.12) = 13.542% kept HN ILE 56 - HG3 LYS+ 111 8.333% * 9.0049% (0.95 0.43 0.84) = 9.005% kept HD21 ASN 28 - HG3 LYS+ 111 8.333% * 7.6593% (0.44 0.78 0.02) = 7.659% kept HN ALA 84 - HG3 LYS+ 111 8.333% * 0.2381% (0.53 0.02 0.02) = 0.238% HZ2 TRP 87 - HG3 LYS+ 111 8.333% * 0.1087% (0.24 0.02 0.02) = 0.109% HN LEU 63 - HG2 LYS+ 74 8.333% * 0.0309% (0.07 0.02 0.10) = 0.031% HN ILE 56 - HG2 LYS+ 74 8.333% * 0.0294% (0.07 0.02 0.02) = 0.029% HN LYS+ 111 - HG2 LYS+ 74 8.333% * 0.0165% (0.04 0.02 0.02) = 0.017% HN ALA 84 - HG2 LYS+ 74 8.333% * 0.0165% (0.04 0.02 0.02) = 0.017% HD21 ASN 28 - HG2 LYS+ 74 8.333% * 0.0136% (0.03 0.02 0.02) = 0.014% HZ2 TRP 87 - HG2 LYS+ 74 8.333% * 0.0076% (0.02 0.02 0.02) = 0.008% Peak 3210 (8.52, 1.22, 24.92 ppm): 4 chemical-shift based assignments, quality = 0.744, support = 1.89, residual support = 4.88: HN ASP- 78 - HG3 LYS+ 111 25.000% * 73.0848% (0.99 0.96 1.28) = 73.085% kept HN VAL 75 - HG2 LYS+ 74 25.000% * 21.1083% (0.05 5.42 18.48) = 21.108% kept HN ASP- 78 - HG2 LYS+ 74 25.000% * 4.6853% (0.07 0.88 0.94) = 4.685% kept HN VAL 75 - HG3 LYS+ 111 25.000% * 1.1216% (0.73 0.02 0.02) = 1.122% kept Peak 3211 (1.99, 3.46, 61.33 ppm): 7 chemical-shift based assignments, quality = 0.657, support = 0.771, residual support = 1.23: T HB2 LEU 115 - HA LYS+ 112 14.286% * 80.4035% (0.68 10.00 0.64 1.28) = 80.404% kept QB GLU- 114 - HA LYS+ 112 14.286% * 16.9399% (0.63 1.00 1.46 1.19) = 16.940% kept HB3 GLU- 25 - HA LYS+ 112 14.286% * 1.7325% (0.24 1.00 0.39 0.02) = 1.732% kept HG2 PRO 68 - HA LYS+ 112 14.286% * 0.2999% (0.81 1.00 0.02 0.02) = 0.300% HB ILE 19 - HA LYS+ 112 14.286% * 0.2672% (0.73 1.00 0.02 0.02) = 0.267% HG3 PRO 58 - HA LYS+ 112 14.286% * 0.2672% (0.73 1.00 0.02 0.02) = 0.267% HB2 LEU 67 - HA LYS+ 112 14.286% * 0.0897% (0.24 1.00 0.02 0.02) = 0.090% Peak 3212 (0.80, 3.46, 61.33 ppm): 5 chemical-shift based assignments, quality = 0.765, support = 1.38, residual support = 3.91: T QD1 ILE 56 - HA LYS+ 112 20.000% * 90.3009% (0.77 10.00 1.43 4.19) = 90.301% kept HG3 LYS+ 121 - HA LYS+ 112 20.000% * 5.9766% (0.89 1.00 0.82 0.72) = 5.977% kept QD2 LEU 73 - HA LYS+ 112 20.000% * 3.3909% (0.44 1.00 0.94 2.51) = 3.391% kept HG LEU 31 - HA LYS+ 112 20.000% * 0.3057% (0.28 1.00 0.13 0.50) = 0.306% QD2 LEU 123 - HA LYS+ 112 20.000% * 0.0258% (0.16 1.00 0.02 0.02) = 0.026% Peak 3213 (7.32, 3.46, 61.33 ppm): 5 chemical-shift based assignments, quality = 0.685, support = 0.67, residual support = 1.07: QE PHE 95 - HA LYS+ 112 20.000% * 34.4526% (0.44 1.11 2.72) = 34.453% kept HE3 TRP 27 - HA LYS+ 112 20.000% * 30.7940% (0.97 0.45 0.25) = 30.794% kept QD PHE 55 - HA LYS+ 112 20.000% * 18.3409% (0.92 0.28 0.11) = 18.341% kept HN THR 23 - HA LYS+ 112 20.000% * 16.1906% (0.40 0.58 0.23) = 16.191% kept HN LYS+ 81 - HA LYS+ 112 20.000% * 0.2220% (0.16 0.02 0.02) = 0.222% Peak 3214 (8.48, 3.46, 61.33 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 5.59, residual support = 196.7: O HN LYS+ 112 - HA LYS+ 112 20.000% * 98.7441% (0.89 10.0 5.66 199.22) = 98.744% kept HN LYS+ 74 - HA LYS+ 112 20.000% * 1.0930% (0.81 1.0 0.24 0.02) = 1.093% kept HN MET 11 - HA LYS+ 112 20.000% * 0.1104% (1.00 1.0 0.02 0.02) = 0.110% HN THR 46 - HA LYS+ 112 20.000% * 0.0349% (0.31 1.0 0.02 0.64) = 0.035% HN MET 92 - HA LYS+ 112 20.000% * 0.0175% (0.16 1.0 0.02 0.02) = 0.018% Peak 3215 (8.51, 0.36, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.436, support = 4.27, residual support = 119.5: HN LYS+ 112 - HG2 LYS+ 112 33.333% * 59.5835% (0.28 6.06 199.22) = 59.583% kept HN ASP- 78 - HG2 LYS+ 112 33.333% * 39.7943% (0.68 1.66 2.00) = 39.794% kept HN VAL 75 - HG2 LYS+ 112 33.333% * 0.6222% (0.18 0.10 0.02) = 0.622% Peak 3216 (7.27, 0.36, 25.56 ppm): 4 chemical-shift based assignments, quality = 0.708, support = 0.932, residual support = 2.27: QE PHE 59 - HG2 LYS+ 112 25.000% * 69.9593% (0.85 1.07 2.78) = 69.959% kept QD PHE 60 - HG2 LYS+ 112 25.000% * 19.4602% (0.31 0.81 0.34) = 19.460% kept HN PHE 59 - HG2 LYS+ 112 25.000% * 9.2138% (0.40 0.30 2.78) = 9.214% kept HN LYS+ 66 - HG2 LYS+ 112 25.000% * 1.3667% (0.89 0.02 0.02) = 1.367% kept Peak 3217 (2.45, 0.36, 25.56 ppm): 5 chemical-shift based assignments, quality = 0.961, support = 2.11, residual support = 6.96: T HB3 ASP- 62 - HG2 LYS+ 112 20.000% * 93.7218% (0.99 10.00 2.10 7.01) = 93.722% kept HG3 MET 96 - HG2 LYS+ 112 20.000% * 6.1198% (0.58 1.00 2.21 6.44) = 6.120% kept HB3 ASP- 86 - HG2 LYS+ 112 20.000% * 0.0733% (0.77 1.00 0.02 0.02) = 0.073% HG2 GLU- 29 - HG2 LYS+ 112 20.000% * 0.0553% (0.58 1.00 0.02 0.02) = 0.055% HG2 GLU- 36 - HG2 LYS+ 112 20.000% * 0.0299% (0.31 1.00 0.02 0.02) = 0.030% Peak 3218 (2.45, 1.05, 25.56 ppm): 5 chemical-shift based assignments, quality = 0.954, support = 2.97, residual support = 6.94: T HB3 ASP- 62 - HG3 LYS+ 112 20.000% * 92.4962% (0.99 10.00 3.02 7.01) = 92.496% kept HG3 MET 96 - HG3 LYS+ 112 20.000% * 7.0878% (0.58 1.00 2.60 6.44) = 7.088% kept HG2 GLU- 29 - HG3 LYS+ 112 20.000% * 0.3142% (0.58 1.00 0.12 0.02) = 0.314% HB3 ASP- 86 - HG3 LYS+ 112 20.000% * 0.0723% (0.77 1.00 0.02 0.02) = 0.072% HG2 GLU- 36 - HG3 LYS+ 112 20.000% * 0.0295% (0.31 1.00 0.02 0.02) = 0.030% Peak 3219 (7.36, 1.05, 25.56 ppm): 6 chemical-shift based assignments, quality = 0.716, support = 0.73, residual support = 0.976: HD1 TRP 49 - HG3 LYS+ 112 16.667% * 57.1546% (0.95 0.60 0.50) = 57.155% kept QE PHE 95 - HG3 LYS+ 112 16.667% * 23.5631% (0.16 1.50 2.72) = 23.563% kept HD2 HIS 22 - HG3 LYS+ 112 16.667% * 10.8876% (1.00 0.11 0.35) = 10.888% kept HN THR 23 - HG3 LYS+ 112 16.667% * 5.8859% (0.18 0.32 0.23) = 5.886% kept HD21 ASN 35 - HG3 LYS+ 112 16.667% * 1.3506% (0.68 0.02 0.02) = 1.351% kept HN LEU 67 - HG3 LYS+ 112 16.667% * 1.1583% (0.58 0.02 0.02) = 1.158% kept Peak 3220 (8.51, 1.05, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.401, support = 4.24, residual support = 136.2: HN LYS+ 112 - HG3 LYS+ 112 33.333% * 68.0466% (0.28 5.74 199.22) = 68.047% kept HN ASP- 78 - HG3 LYS+ 112 33.333% * 31.2034% (0.68 1.08 2.00) = 31.203% kept HN VAL 75 - HG3 LYS+ 112 33.333% * 0.7500% (0.18 0.10 0.02) = 0.750% Peak 3221 (2.45, 1.20, 29.98 ppm): 5 chemical-shift based assignments, quality = 0.643, support = 2.64, residual support = 6.51: T HG3 MET 96 - HD2 LYS+ 112 20.000% * 84.4226% (0.58 10.00 2.73 6.44) = 84.423% kept HB3 ASP- 62 - HD2 LYS+ 112 20.000% * 15.3354% (0.99 1.00 2.14 7.01) = 15.335% kept HB3 ASP- 86 - HD2 LYS+ 112 20.000% * 0.1119% (0.77 1.00 0.02 0.02) = 0.112% HG2 GLU- 29 - HD2 LYS+ 112 20.000% * 0.0844% (0.58 1.00 0.02 0.02) = 0.084% HG2 GLU- 36 - HD2 LYS+ 112 20.000% * 0.0457% (0.31 1.00 0.02 0.02) = 0.046% Peak 3222 (0.36, 1.11, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.787, support = 5.32, residual support = 198.8: O HG2 LYS+ 112 - HD3 LYS+ 112 33.333% * 99.7770% (0.79 10.0 5.33 199.22) = 99.777% kept QG1 VAL 42 - HD3 LYS+ 112 33.333% * 0.1152% (0.91 1.0 0.02 0.02) = 0.115% QB ALA 47 - HD3 LYS+ 112 33.333% * 0.1077% (0.85 1.0 0.02 0.02) = 0.108% Peak 3223 (2.45, 1.11, 29.98 ppm): 5 chemical-shift based assignments, quality = 0.769, support = 2.01, residual support = 6.73: HB3 ASP- 62 - HD3 LYS+ 112 20.000% * 63.3956% (0.91 2.07 7.01) = 63.396% kept HG3 MET 96 - HD3 LYS+ 112 20.000% * 35.5679% (0.54 1.97 6.44) = 35.568% kept HB3 ASP- 86 - HD3 LYS+ 112 20.000% * 0.4793% (0.71 0.02 0.02) = 0.479% HG2 GLU- 29 - HD3 LYS+ 112 20.000% * 0.3616% (0.54 0.02 0.02) = 0.362% HG2 GLU- 36 - HD3 LYS+ 112 20.000% * 0.1956% (0.29 0.02 0.02) = 0.196% Peak 3224 (0.36, 2.43, 41.54 ppm): 6 chemical-shift based assignments, quality = 0.585, support = 3.77, residual support = 173.8: O HG2 LYS+ 112 - QE LYS+ 112 16.667% * 86.7795% (0.66 10.0 1.00 4.02 199.22) = 86.780% kept T HG2 LYS+ 112 - HB3 ASP- 62 16.667% * 12.9975% (0.10 1.0 10.00 2.10 7.01) = 12.998% kept QG1 VAL 42 - QE LYS+ 112 16.667% * 0.1002% (0.76 1.0 1.00 0.02 0.02) = 0.100% QB ALA 47 - QE LYS+ 112 16.667% * 0.0937% (0.71 1.0 1.00 0.02 0.02) = 0.094% QG1 VAL 42 - HB3 ASP- 62 16.667% * 0.0150% (0.11 1.0 1.00 0.02 0.02) = 0.015% QB ALA 47 - HB3 ASP- 62 16.667% * 0.0140% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 3225 (0.77, 2.43, 41.54 ppm): 14 chemical-shift based assignments, quality = 0.504, support = 0.58, residual support = 1.64: HG LEU 31 - QE LYS+ 112 7.143% * 44.3068% (0.69 0.68 0.50) = 44.307% kept QD2 LEU 73 - QE LYS+ 112 7.143% * 21.4899% (0.56 0.40 2.51) = 21.490% kept QD1 ILE 56 - QE LYS+ 112 7.143% * 20.7504% (0.31 0.71 4.19) = 20.750% kept HG LEU 31 - HB3 ASP- 62 7.143% * 4.8912% (0.10 0.50 0.02) = 4.891% kept QG1 VAL 41 - HB3 ASP- 62 7.143% * 2.7255% (0.09 0.32 0.02) = 2.726% kept QD1 ILE 56 - HB3 ASP- 62 7.143% * 1.9163% (0.05 0.44 0.64) = 1.916% kept QG1 VAL 41 - QE LYS+ 112 7.143% * 1.1307% (0.60 0.02 0.02) = 1.131% kept QG1 VAL 43 - HB3 ASP- 62 7.143% * 1.0689% (0.06 0.18 0.02) = 1.069% kept QG1 VAL 43 - QE LYS+ 112 7.143% * 0.7826% (0.41 0.02 0.02) = 0.783% QG2 VAL 18 - QE LYS+ 112 7.143% * 0.4074% (0.21 0.02 0.02) = 0.407% QG2 THR 46 - QE LYS+ 112 7.143% * 0.2696% (0.14 0.02 0.64) = 0.270% QD2 LEU 73 - HB3 ASP- 62 7.143% * 0.1594% (0.08 0.02 0.02) = 0.159% QG2 VAL 18 - HB3 ASP- 62 7.143% * 0.0610% (0.03 0.02 0.02) = 0.061% QG2 THR 46 - HB3 ASP- 62 7.143% * 0.0404% (0.02 0.02 0.02) = 0.040% Peak 3226 (1.06, 2.43, 41.54 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 3.29, residual support = 169.9: O HG3 LYS+ 112 - QE LYS+ 112 16.667% * 84.4457% (0.73 10.0 1.00 3.32 199.22) = 84.446% kept T HG3 LYS+ 112 - HB3 ASP- 62 16.667% * 12.6480% (0.11 1.0 10.00 3.02 7.01) = 12.648% kept HG LEU 63 - HB3 ASP- 62 16.667% * 2.5144% (0.10 1.0 1.00 4.42 32.45) = 2.514% kept QG2 VAL 24 - QE LYS+ 112 16.667% * 0.3069% (0.52 1.0 1.00 0.10 0.02) = 0.307% HG LEU 63 - QE LYS+ 112 16.667% * 0.0760% (0.66 1.0 1.00 0.02 0.23) = 0.076% QG2 VAL 24 - HB3 ASP- 62 16.667% * 0.0090% (0.08 1.0 1.00 0.02 0.02) = 0.009% Peak 3227 (1.14, 2.43, 41.54 ppm): 10 chemical-shift based assignments, quality = 0.402, support = 0.233, residual support = 0.242: T QG2 VAL 107 - QE LYS+ 112 10.000% * 52.5016% (0.38 10.00 0.09 0.02) = 52.502% kept HB3 LEU 31 - QE LYS+ 112 10.000% * 32.8759% (0.38 1.00 0.54 0.50) = 32.876% kept HG2 LYS+ 121 - QE LYS+ 112 10.000% * 9.5572% (0.60 1.00 0.10 0.72) = 9.557% kept QB ALA 20 - QE LYS+ 112 10.000% * 2.4976% (0.77 1.00 0.02 0.02) = 2.498% kept HG13 ILE 119 - QE LYS+ 112 10.000% * 1.3382% (0.41 1.00 0.02 0.02) = 1.338% kept QB ALA 20 - HB3 ASP- 62 10.000% * 0.3741% (0.12 1.00 0.02 0.02) = 0.374% HG2 LYS+ 121 - HB3 ASP- 62 10.000% * 0.2896% (0.09 1.00 0.02 0.02) = 0.290% HG13 ILE 119 - HB3 ASP- 62 10.000% * 0.2004% (0.06 1.00 0.02 0.02) = 0.200% HB3 LEU 31 - HB3 ASP- 62 10.000% * 0.1827% (0.06 1.00 0.02 0.02) = 0.183% QG2 VAL 107 - HB3 ASP- 62 10.000% * 0.1827% (0.06 1.00 0.02 0.02) = 0.183% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3228 (7.33, 2.43, 41.54 ppm): 12 chemical-shift based assignments, quality = 0.642, support = 1.2, residual support = 1.21: QE PHE 95 - QE LYS+ 112 8.333% * 39.7643% (0.75 1.53 2.72) = 39.764% kept HN THR 23 - QE LYS+ 112 8.333% * 32.3920% (0.73 1.27 0.23) = 32.392% kept QD PHE 55 - QE LYS+ 112 8.333% * 7.6020% (0.63 0.35 0.11) = 7.602% kept HD1 TRP 49 - QE LYS+ 112 8.333% * 7.2697% (0.14 1.48 0.50) = 7.270% kept HE3 TRP 27 - QE LYS+ 112 8.333% * 4.7412% (0.56 0.24 0.25) = 4.741% kept HN LEU 67 - QE LYS+ 112 8.333% * 4.3348% (0.41 0.30 0.02) = 4.335% kept HN THR 23 - HB3 ASP- 62 8.333% * 3.0965% (0.11 0.81 0.02) = 3.097% kept QE PHE 95 - HB3 ASP- 62 8.333% * 0.4201% (0.11 0.11 0.02) = 0.420% QD PHE 55 - HB3 ASP- 62 8.333% * 0.2636% (0.09 0.08 0.02) = 0.264% HE3 TRP 27 - HB3 ASP- 62 8.333% * 0.0583% (0.08 0.02 0.02) = 0.058% HN LEU 67 - HB3 ASP- 62 8.333% * 0.0428% (0.06 0.02 0.02) = 0.043% HD1 TRP 49 - HB3 ASP- 62 8.333% * 0.0148% (0.02 0.02 0.02) = 0.015% Peak 3230 (8.17, 2.68, 39.79 ppm): 5 chemical-shift based assignments, quality = 0.818, support = 2.57, residual support = 13.0: HN GLU- 114 - QB ASP- 113 20.000% * 70.7275% (0.77 3.27 18.02) = 70.727% kept HN GLN 116 - QB ASP- 113 20.000% * 26.1027% (0.97 0.96 0.83) = 26.103% kept HN THR 118 - QB ASP- 113 20.000% * 1.9542% (0.73 0.10 0.02) = 1.954% kept HN PHE 60 - QB ASP- 113 20.000% * 1.0390% (0.44 0.08 0.02) = 1.039% kept HN LEU 71 - QB ASP- 113 20.000% * 0.1766% (0.31 0.02 0.02) = 0.177% Peak 3231 (8.43, 2.68, 39.79 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.3, residual support = 13.9: O HN ASP- 113 - QB ASP- 113 100.000% *100.0000% (0.97 10.0 3.30 13.88) = 100.000% kept Peak 3232 (1.74, 4.37, 57.38 ppm): 3 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02: T HB3 LYS+ 99 - HA ASP- 113 33.333% * 51.9282% (0.40 10.00 0.02 0.02) = 51.928% kept T QG1 ILE 56 - HA ASP- 113 33.333% * 36.4034% (0.28 10.00 0.02 0.02) = 36.403% kept HB ILE 89 - HA ASP- 113 33.333% * 11.6683% (0.89 1.00 0.02 0.02) = 11.668% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3233 (8.17, 4.14, 59.59 ppm): 10 chemical-shift based assignments, quality = 0.665, support = 4.67, residual support = 34.0: O HN GLU- 114 - HA GLU- 114 10.000% * 52.3008% (0.77 10.0 4.03 32.65) = 52.301% kept O HN GLN 116 - HA LEU 115 10.000% * 25.6899% (0.38 10.0 7.02 60.56) = 25.690% kept HN GLN 116 - HA GLU- 114 10.000% * 14.3130% (0.97 1.0 4.35 3.50) = 14.313% kept HN GLU- 114 - HA LEU 115 10.000% * 3.4873% (0.30 1.0 3.42 24.27) = 3.487% kept HN THR 118 - HA GLU- 114 10.000% * 1.3785% (0.73 1.0 0.56 0.12) = 1.379% kept HN PHE 60 - HA GLU- 114 10.000% * 1.1088% (0.44 1.0 0.74 0.02) = 1.109% kept HN THR 118 - HA LEU 115 10.000% * 0.9744% (0.28 1.0 1.02 0.45) = 0.974% HN PHE 60 - HA LEU 115 10.000% * 0.7176% (0.17 1.0 1.23 0.02) = 0.718% HN LEU 71 - HA GLU- 114 10.000% * 0.0213% (0.31 1.0 0.02 0.02) = 0.021% HN LEU 71 - HA LEU 115 10.000% * 0.0083% (0.12 1.0 0.02 0.02) = 0.008% Peak 3234 (8.40, 4.14, 59.59 ppm): 6 chemical-shift based assignments, quality = 0.7, support = 5.13, residual support = 64.3: O HN LEU 115 - HA GLU- 114 16.667% * 68.8462% (0.85 10.0 4.71 24.27) = 68.846% kept O HN LEU 115 - HA LEU 115 16.667% * 26.8580% (0.33 10.0 6.75 175.92) = 26.858% kept HN PHE 97 - HA GLU- 114 16.667% * 2.1635% (0.85 1.0 0.63 0.02) = 2.164% kept HN ASP- 113 - HA GLU- 114 16.667% * 1.9055% (0.16 1.0 2.99 18.02) = 1.905% kept HN PHE 97 - HA LEU 115 16.667% * 0.2218% (0.33 1.0 0.17 0.64) = 0.222% HN ASP- 113 - HA LEU 115 16.667% * 0.0050% (0.06 1.0 0.02 0.02) = 0.005% Peak 3235 (8.17, 2.00, 29.90 ppm): 5 chemical-shift based assignments, quality = 0.768, support = 3.98, residual support = 25.9: O HN GLU- 114 - QB GLU- 114 20.000% * 77.0478% (0.73 10.0 4.07 32.65) = 77.048% kept HN GLN 116 - QB GLU- 114 20.000% * 19.9339% (0.92 1.0 4.11 3.50) = 19.934% kept HN THR 118 - QB GLU- 114 20.000% * 2.7013% (0.69 1.0 0.75 0.12) = 2.701% kept HN PHE 60 - QB GLU- 114 20.000% * 0.2855% (0.42 1.0 0.13 0.02) = 0.286% HN LEU 71 - QB GLU- 114 20.000% * 0.0315% (0.30 1.0 0.02 0.02) = 0.031% Peak 3236 (8.40, 2.00, 29.90 ppm): 3 chemical-shift based assignments, quality = 0.749, support = 4.66, residual support = 22.2: HN LEU 115 - QB GLU- 114 33.333% * 84.2106% (0.81 5.15 24.27) = 84.211% kept HN ASP- 113 - QB GLU- 114 33.333% * 9.5061% (0.15 3.14 18.02) = 9.506% kept HN PHE 97 - QB GLU- 114 33.333% * 6.2833% (0.81 0.38 0.02) = 6.283% kept Peak 3237 (8.17, 2.31, 37.32 ppm): 5 chemical-shift based assignments, quality = 0.85, support = 3.34, residual support = 15.7: HN GLN 116 - QG GLU- 114 20.000% * 47.4437% (0.97 3.41 3.50) = 47.444% kept HN GLU- 114 - QG GLU- 114 20.000% * 42.8540% (0.77 3.88 32.65) = 42.854% kept HN THR 118 - QG GLU- 114 20.000% * 6.4969% (0.72 0.63 0.12) = 6.497% kept HN PHE 60 - QG GLU- 114 20.000% * 3.1152% (0.44 0.49 0.02) = 3.115% kept HN LEU 71 - QG GLU- 114 20.000% * 0.0902% (0.31 0.02 0.02) = 0.090% Peak 3238 (8.38, 2.31, 37.32 ppm): 4 chemical-shift based assignments, quality = 0.319, support = 4.89, residual support = 22.5: HN LEU 115 - QG GLU- 114 25.000% * 92.6900% (0.31 5.26 24.27) = 92.690% kept HN PHE 97 - QG GLU- 114 25.000% * 5.8331% (0.31 0.33 0.02) = 5.833% kept HN ALA 12 - QG GLU- 114 25.000% * 1.0330% (0.92 0.02 0.02) = 1.033% kept HN ASN 35 - QG GLU- 114 25.000% * 0.4438% (0.40 0.02 0.02) = 0.444% Peak 3239 (1.10, 2.31, 37.32 ppm): 3 chemical-shift based assignments, quality = 0.899, support = 0.967, residual support = 1.78: QG1 VAL 107 - QG GLU- 114 33.333% * 56.3892% (0.97 1.22 2.50) = 56.389% kept HD3 LYS+ 112 - QG GLU- 114 33.333% * 28.9100% (0.77 0.79 1.19) = 28.910% kept QG1 VAL 24 - QG GLU- 114 33.333% * 14.7008% (0.89 0.35 0.18) = 14.701% kept Peak 3240 (1.14, 2.00, 29.90 ppm): 5 chemical-shift based assignments, quality = 0.51, support = 0.725, residual support = 2.04: T QG2 VAL 107 - QB GLU- 114 20.000% * 81.1209% (0.46 10.00 0.80 2.50) = 81.121% kept HG13 ILE 119 - QB GLU- 114 20.000% * 6.9174% (0.51 1.00 0.62 0.11) = 6.917% kept QB ALA 20 - QB GLU- 114 20.000% * 6.2961% (0.95 1.00 0.30 0.02) = 6.296% kept HG2 LYS+ 121 - QB GLU- 114 20.000% * 5.4615% (0.73 1.00 0.34 0.02) = 5.461% kept HB3 LEU 31 - QB GLU- 114 20.000% * 0.2041% (0.46 1.00 0.02 0.12) = 0.204% Peak 3243 (4.12, 1.46, 42.01 ppm): 16 chemical-shift based assignments, quality = 0.748, support = 4.63, residual support = 105.9: O T HA LEU 115 - HB3 LEU 115 6.250% * 57.2869% (0.89 10.0 10.00 6.39 175.92) = 57.287% kept T HA ARG+ 54 - HB3 LEU 115 6.250% * 20.4925% (0.77 1.0 10.00 0.83 0.95) = 20.492% kept T HA GLU- 114 - HB3 LEU 115 6.250% * 20.2483% (0.31 1.0 10.00 3.92 24.27) = 20.248% kept HA ASN 28 - HB3 LEU 115 6.250% * 1.7306% (0.92 1.0 1.00 0.58 1.25) = 1.731% kept HA ALA 34 - HB3 LEU 115 6.250% * 0.0467% (0.73 1.0 1.00 0.02 0.51) = 0.047% T HA LEU 115 - HB3 LEU 40 6.250% * 0.0437% (0.07 1.0 10.00 0.02 0.02) = 0.044% HA ALA 124 - HB3 LEU 115 6.250% * 0.0405% (0.63 1.0 1.00 0.02 0.02) = 0.041% T HA ARG+ 54 - HB3 LEU 40 6.250% * 0.0378% (0.06 1.0 10.00 0.02 0.02) = 0.038% HA1 GLY 101 - HB3 LEU 115 6.250% * 0.0313% (0.49 1.0 1.00 0.02 0.02) = 0.031% T HA GLU- 114 - HB3 LEU 40 6.250% * 0.0154% (0.02 1.0 10.00 0.02 0.02) = 0.015% HA LYS+ 81 - HB3 LEU 115 6.250% * 0.0118% (0.18 1.0 1.00 0.02 0.02) = 0.012% HA ASN 28 - HB3 LEU 40 6.250% * 0.0045% (0.07 1.0 1.00 0.02 0.02) = 0.005% HA ALA 34 - HB3 LEU 40 6.250% * 0.0036% (0.06 1.0 1.00 0.02 0.32) = 0.004% HA ALA 124 - HB3 LEU 40 6.250% * 0.0031% (0.05 1.0 1.00 0.02 0.02) = 0.003% HA1 GLY 101 - HB3 LEU 40 6.250% * 0.0024% (0.04 1.0 1.00 0.02 0.02) = 0.002% HA LYS+ 81 - HB3 LEU 40 6.250% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 3244 (0.44, 1.46, 42.01 ppm): 4 chemical-shift based assignments, quality = 0.821, support = 6.24, residual support = 168.6: O T QD1 LEU 115 - HB3 LEU 115 25.000% * 95.8501% (0.81 10.0 10.00 6.48 175.92) = 95.850% kept QG1 VAL 75 - HB3 LEU 115 25.000% * 4.0681% (0.97 1.0 1.00 0.71 0.02) = 4.068% kept T QD1 LEU 115 - HB3 LEU 40 25.000% * 0.0731% (0.06 1.0 10.00 0.02 0.02) = 0.073% QG1 VAL 75 - HB3 LEU 40 25.000% * 0.0087% (0.07 1.0 1.00 0.02 0.02) = 0.009% Peak 3245 (0.57, 1.46, 42.01 ppm): 12 chemical-shift based assignments, quality = 0.387, support = 5.75, residual support = 143.8: O T QD2 LEU 115 - HB3 LEU 115 8.333% * 81.7502% (0.31 10.0 10.00 6.90 175.92) = 81.750% kept QD1 LEU 63 - HB3 LEU 115 8.333% * 7.4397% (0.73 1.0 1.00 0.79 0.02) = 7.440% kept QD1 LEU 73 - HB3 LEU 115 8.333% * 6.5361% (0.73 1.0 1.00 0.69 0.02) = 6.536% kept QD2 LEU 63 - HB3 LEU 115 8.333% * 3.1753% (0.89 1.0 1.00 0.27 0.02) = 3.175% kept QD2 LEU 80 - HB3 LEU 115 8.333% * 0.9165% (0.28 1.0 1.00 0.25 0.22) = 0.916% QG2 VAL 41 - HB3 LEU 115 8.333% * 0.0633% (0.24 1.0 1.00 0.02 0.02) = 0.063% T QD2 LEU 115 - HB3 LEU 40 8.333% * 0.0623% (0.02 1.0 10.00 0.02 0.02) = 0.062% QD2 LEU 63 - HB3 LEU 40 8.333% * 0.0176% (0.07 1.0 1.00 0.02 0.02) = 0.018% QD1 LEU 73 - HB3 LEU 40 8.333% * 0.0144% (0.06 1.0 1.00 0.02 0.02) = 0.014% QD1 LEU 63 - HB3 LEU 40 8.333% * 0.0144% (0.06 1.0 1.00 0.02 0.02) = 0.014% QD2 LEU 80 - HB3 LEU 40 8.333% * 0.0055% (0.02 1.0 1.00 0.02 0.02) = 0.006% QG2 VAL 41 - HB3 LEU 40 8.333% * 0.0048% (0.02 1.0 1.00 0.02 9.26) = 0.005% Peak 3246 (8.17, 1.46, 42.01 ppm): 10 chemical-shift based assignments, quality = 0.87, support = 5.44, residual support = 42.3: HN GLN 116 - HB3 LEU 115 10.000% * 62.0890% (0.97 7.35 60.56) = 62.089% kept HN GLU- 114 - HB3 LEU 115 10.000% * 19.1865% (0.77 2.86 24.27) = 19.187% kept HN THR 118 - HB3 LEU 115 10.000% * 13.3166% (0.73 2.11 0.45) = 13.317% kept HN PHE 60 - HB3 LEU 115 10.000% * 4.2713% (0.44 1.11 0.02) = 4.271% kept HN LEU 71 - HB3 LEU 115 10.000% * 1.0937% (0.31 0.40 0.02) = 1.094% kept HN GLN 116 - HB3 LEU 40 10.000% * 0.0129% (0.07 0.02 0.02) = 0.013% HN GLU- 114 - HB3 LEU 40 10.000% * 0.0102% (0.06 0.02 0.02) = 0.010% HN THR 118 - HB3 LEU 40 10.000% * 0.0096% (0.06 0.02 0.02) = 0.010% HN PHE 60 - HB3 LEU 40 10.000% * 0.0058% (0.03 0.02 0.02) = 0.006% HN LEU 71 - HB3 LEU 40 10.000% * 0.0042% (0.02 0.02 0.84) = 0.004% Peak 3247 (8.40, 1.46, 42.01 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 6.82, residual support = 170.1: O HN LEU 115 - HB3 LEU 115 16.667% * 96.6887% (0.85 10.0 7.03 175.92) = 96.689% kept HN PHE 97 - HB3 LEU 115 16.667% * 3.2773% (0.85 1.0 0.68 0.64) = 3.277% kept HN ASP- 113 - HB3 LEU 115 16.667% * 0.0179% (0.16 1.0 0.02 0.02) = 0.018% HN LEU 115 - HB3 LEU 40 16.667% * 0.0074% (0.07 1.0 0.02 0.02) = 0.007% HN PHE 97 - HB3 LEU 40 16.667% * 0.0074% (0.07 1.0 0.02 2.11) = 0.007% HN ASP- 113 - HB3 LEU 40 16.667% * 0.0014% (0.01 1.0 0.02 0.02) = 0.001% Peak 3248 (3.47, 1.98, 42.01 ppm): 3 chemical-shift based assignments, quality = 0.546, support = 0.718, residual support = 1.35: T HA LYS+ 112 - HB2 LEU 115 33.333% * 88.0479% (0.58 10.00 0.64 1.28) = 88.048% kept HB2 HIS 122 - HB2 LEU 115 33.333% * 9.6946% (0.28 1.00 1.48 2.28) = 9.695% kept HB2 HIS 22 - HB2 LEU 115 33.333% * 2.2576% (0.28 1.00 0.35 0.02) = 2.258% kept Peak 3249 (7.33, 1.98, 42.01 ppm): 6 chemical-shift based assignments, quality = 0.86, support = 1.5, residual support = 3.54: QD PHE 55 - HB2 LEU 115 16.667% * 28.5331% (0.81 1.76 2.08) = 28.533% kept QE PHE 95 - HB2 LEU 115 16.667% * 26.7615% (0.97 1.39 4.03) = 26.761% kept HE3 TRP 27 - HB2 LEU 115 16.667% * 24.1844% (0.73 1.68 7.42) = 24.184% kept HN THR 23 - HB2 LEU 115 16.667% * 20.2361% (0.95 1.07 0.40) = 20.236% kept HN LEU 67 - HB2 LEU 115 16.667% * 0.2120% (0.53 0.02 0.02) = 0.212% HD1 TRP 49 - HB2 LEU 115 16.667% * 0.0730% (0.18 0.02 0.02) = 0.073% Peak 3250 (8.18, 1.98, 42.01 ppm): 5 chemical-shift based assignments, quality = 0.694, support = 5.98, residual support = 49.6: HN GLN 116 - HB2 LEU 115 20.000% * 77.2408% (0.73 7.14 60.56) = 77.241% kept HN GLU- 114 - HB2 LEU 115 20.000% * 11.4663% (0.21 3.62 24.27) = 11.466% kept HN THR 118 - HB2 LEU 115 20.000% * 8.0715% (0.97 0.56 0.45) = 8.071% kept HN PHE 60 - HB2 LEU 115 20.000% * 3.1488% (0.97 0.22 0.02) = 3.149% kept HN GLU- 15 - HB2 LEU 115 20.000% * 0.0727% (0.24 0.02 0.02) = 0.073% Peak 3251 (8.40, 1.98, 42.01 ppm): 3 chemical-shift based assignments, quality = 0.837, support = 6.86, residual support = 171.7: O HN LEU 115 - HB2 LEU 115 33.333% * 97.5994% (0.85 10.0 7.00 175.92) = 97.599% kept HN ASP- 113 - HB2 LEU 115 33.333% * 1.5946% (0.16 1.0 1.76 0.02) = 1.595% kept HN PHE 97 - HB2 LEU 115 33.333% * 0.8060% (0.85 1.0 0.17 0.64) = 0.806% Peak 3252 (8.17, 4.12, 59.41 ppm): 15 chemical-shift based assignments, quality = 0.629, support = 5.87, residual support = 48.4: O HN GLN 116 - HA LEU 115 6.667% * 70.3147% (0.75 10.0 7.02 60.56) = 70.315% kept O HN GLU- 114 - HA GLU- 114 6.667% * 10.3033% (0.11 10.0 4.03 32.65) = 10.303% kept HN GLU- 114 - HA LEU 115 6.667% * 9.5448% (0.60 1.0 3.42 24.27) = 9.545% kept HN GLN 116 - HA GLU- 114 6.667% * 2.8197% (0.14 1.0 4.35 3.50) = 2.820% kept HN THR 118 - HA LEU 115 6.667% * 2.6670% (0.56 1.0 1.02 0.45) = 2.667% kept HN PHE 60 - HA LEU 115 6.667% * 1.9642% (0.34 1.0 1.23 0.02) = 1.964% kept HN GLN 116 - HA ARG+ 54 6.667% * 1.7738% (0.44 1.0 0.86 0.02) = 1.774% kept HN THR 118 - HA GLU- 114 6.667% * 0.2716% (0.10 1.0 0.56 0.12) = 0.272% HN PHE 60 - HA GLU- 114 6.667% * 0.2184% (0.06 1.0 0.74 0.02) = 0.218% HN GLU- 114 - HA ARG+ 54 6.667% * 0.0327% (0.35 1.0 0.02 0.02) = 0.033% HN THR 118 - HA ARG+ 54 6.667% * 0.0308% (0.33 1.0 0.02 0.02) = 0.031% HN LEU 71 - HA LEU 115 6.667% * 0.0228% (0.24 1.0 0.02 0.02) = 0.023% HN PHE 60 - HA ARG+ 54 6.667% * 0.0187% (0.20 1.0 0.02 0.02) = 0.019% HN LEU 71 - HA ARG+ 54 6.667% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% HN LEU 71 - HA GLU- 114 6.667% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% Peak 3253 (8.40, 4.12, 59.41 ppm): 9 chemical-shift based assignments, quality = 0.563, support = 6.23, residual support = 147.2: O HN LEU 115 - HA LEU 115 11.111% * 81.6029% (0.66 10.0 6.75 175.92) = 81.603% kept O HN LEU 115 - HA GLU- 114 11.111% * 15.0556% (0.12 10.0 4.71 24.27) = 15.056% kept HN LEU 115 - HA ARG+ 54 11.111% * 1.7060% (0.39 1.0 0.71 0.95) = 1.706% kept HN PHE 97 - HA LEU 115 11.111% * 0.6739% (0.66 1.0 0.17 0.64) = 0.674% HN PHE 97 - HA GLU- 114 11.111% * 0.4731% (0.12 1.0 0.63 0.02) = 0.473% HN ASP- 113 - HA GLU- 114 11.111% * 0.4167% (0.02 1.0 2.99 18.02) = 0.417% HN PHE 97 - HA ARG+ 54 11.111% * 0.0478% (0.39 1.0 0.02 0.02) = 0.048% HN ASP- 113 - HA LEU 115 11.111% * 0.0151% (0.12 1.0 0.02 0.02) = 0.015% HN ASP- 113 - HA ARG+ 54 11.111% * 0.0089% (0.07 1.0 0.02 0.02) = 0.009% Peak 3254 (8.40, 1.48, 26.92 ppm): 6 chemical-shift based assignments, quality = 0.681, support = 6.41, residual support = 166.9: HN LEU 115 - HG LEU 115 16.667% * 94.8424% (0.70 6.74 175.92) = 94.842% kept HN PHE 97 - HG LEU 115 16.667% * 2.3239% (0.70 0.17 0.64) = 2.324% kept HN ASP- 113 - HG LEU 115 16.667% * 1.5042% (0.13 0.58 0.02) = 1.504% kept HN PHE 97 - HG LEU 40 16.667% * 1.2576% (0.15 0.41 2.11) = 1.258% kept HN LEU 115 - HG LEU 40 16.667% * 0.0607% (0.15 0.02 0.02) = 0.061% HN ASP- 113 - HG LEU 40 16.667% * 0.0112% (0.03 0.02 0.02) = 0.011% Peak 3255 (6.91, 0.43, 25.13 ppm): 1 chemical-shift based assignment, quality = 0.815, support = 0.978, residual support = 1.91: HN LYS+ 65 - QD1 LEU 115 100.000% *100.0000% (0.81 0.98 1.91) = 100.000% kept Peak 3256 (7.32, 0.43, 25.13 ppm): 5 chemical-shift based assignments, quality = 0.809, support = 1.83, residual support = 4.16: HE3 TRP 27 - QD1 LEU 115 20.000% * 39.0717% (0.97 2.03 7.42) = 39.072% kept QD PHE 55 - QD1 LEU 115 20.000% * 36.6056% (0.92 2.00 2.08) = 36.606% kept QE PHE 95 - QD1 LEU 115 20.000% * 11.6329% (0.44 1.33 4.03) = 11.633% kept HN THR 23 - QD1 LEU 115 20.000% * 8.6383% (0.40 1.10 0.40) = 8.638% kept HN LYS+ 81 - QD1 LEU 115 20.000% * 4.0515% (0.16 1.29 0.02) = 4.052% kept Peak 3257 (7.19, 0.43, 25.13 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 2.45, residual support = 12.0: QD PHE 59 - QD1 LEU 115 25.000% * 63.0408% (0.92 3.00 14.99) = 63.041% kept HD1 TRP 27 - QD1 LEU 115 25.000% * 33.9677% (0.92 1.62 7.42) = 33.968% kept HH2 TRP 49 - QD1 LEU 115 25.000% * 2.5593% (0.77 0.15 0.02) = 2.559% kept HE21 GLN 30 - QD1 LEU 115 25.000% * 0.4322% (0.95 0.02 0.37) = 0.432% Peak 3258 (7.03, 0.59, 23.43 ppm): 2 chemical-shift based assignments, quality = 0.772, support = 1.22, residual support = 4.01: QD PHE 95 - QD2 LEU 115 50.000% * 99.6846% (0.77 1.23 4.03) = 99.685% kept HN ALA 47 - QD2 LEU 115 50.000% * 0.3154% (0.15 0.02 0.02) = 0.315% Peak 3259 (7.25, 0.59, 23.43 ppm): 5 chemical-shift based assignments, quality = 0.776, support = 2.15, residual support = 13.1: QE PHE 59 - QD2 LEU 115 20.000% * 73.4334% (0.85 2.71 14.99) = 73.433% kept HN PHE 59 - QD2 LEU 115 20.000% * 12.4839% (0.90 0.43 14.99) = 12.484% kept HN LYS+ 66 - QD2 LEU 115 20.000% * 7.6699% (0.30 0.80 0.44) = 7.670% kept HN HIS 122 - QD2 LEU 115 20.000% * 6.2646% (0.30 0.65 2.28) = 6.265% kept HH2 TRP 87 - QD2 LEU 115 20.000% * 0.1483% (0.23 0.02 0.02) = 0.148% Peak 3260 (1.01, 4.01, 60.31 ppm): 5 chemical-shift based assignments, quality = 0.482, support = 2.94, residual support = 8.93: T QD1 ILE 119 - HA GLN 116 20.000% * 99.0076% (0.49 10.00 2.97 9.02) = 99.008% kept HB VAL 75 - HA GLN 116 20.000% * 0.8622% (0.92 1.00 0.09 0.02) = 0.862% QD2 LEU 40 - HA GLN 116 20.000% * 0.0496% (0.24 1.00 0.02 0.02) = 0.050% QD1 LEU 67 - HA GLN 116 20.000% * 0.0432% (0.21 1.00 0.02 0.02) = 0.043% HB2 LEU 104 - HA GLN 116 20.000% * 0.0374% (0.18 1.00 0.02 0.02) = 0.037% Peak 3261 (0.59, 4.01, 60.31 ppm): 6 chemical-shift based assignments, quality = 0.899, support = 3.42, residual support = 30.1: QD2 LEU 115 - HA GLN 116 16.667% * 48.5158% (0.89 5.21 60.56) = 48.516% kept QD1 LEU 73 - HA GLN 116 16.667% * 22.1276% (0.97 2.18 1.43) = 22.128% kept QD1 LEU 63 - HA GLN 116 16.667% * 18.6118% (0.97 1.83 1.87) = 18.612% kept QD2 LEU 80 - HA GLN 116 16.667% * 5.8583% (0.85 0.66 0.15) = 5.858% kept QD2 LEU 63 - HA GLN 116 16.667% * 2.9120% (0.31 0.88 1.87) = 2.912% kept QD1 LEU 104 - HA GLN 116 16.667% * 1.9745% (0.58 0.32 0.02) = 1.975% kept Peak 3262 (7.93, 4.01, 60.31 ppm): 4 chemical-shift based assignments, quality = 0.444, support = 2.69, residual support = 8.79: HN ILE 119 - HA GLN 116 25.000% * 97.4318% (0.44 2.76 9.02) = 97.432% kept HN CYS 21 - HA GLN 116 25.000% * 1.5218% (0.95 0.02 0.02) = 1.522% kept HN LYS+ 33 - HA GLN 116 25.000% * 0.7060% (0.44 0.02 0.02) = 0.706% HN ILE 89 - HA GLN 116 25.000% * 0.3404% (0.21 0.02 0.30) = 0.340% Peak 3263 (8.17, 4.01, 60.31 ppm): 5 chemical-shift based assignments, quality = 0.934, support = 5.53, residual support = 75.4: O HN GLN 116 - HA GLN 116 20.000% * 87.2052% (0.97 10.0 5.91 86.36) = 87.205% kept HN THR 118 - HA GLN 116 20.000% * 10.8452% (0.73 1.0 3.33 0.82) = 10.845% kept HN PHE 60 - HA GLN 116 20.000% * 1.8521% (0.44 1.0 0.94 0.12) = 1.852% kept HN GLU- 114 - HA GLN 116 20.000% * 0.0693% (0.77 1.0 0.02 3.50) = 0.069% HN LEU 71 - HA GLN 116 20.000% * 0.0283% (0.31 1.0 0.02 0.02) = 0.028% Peak 3264 (4.38, 2.37, 29.51 ppm): 9 chemical-shift based assignments, quality = 0.774, support = 0.44, residual support = 0.203: HA ILE 56 - HB2 GLN 116 11.111% * 34.9910% (0.95 1.00 0.53 0.11) = 34.991% kept HA ASN 35 - HB2 GLN 116 11.111% * 21.9450% (0.92 1.00 0.34 0.02) = 21.945% kept HA LYS+ 99 - HB2 GLN 116 11.111% * 20.4532% (0.77 1.00 0.38 0.13) = 20.453% kept HA ASP- 113 - HB2 GLN 116 11.111% * 16.0165% (0.35 1.00 0.64 0.83) = 16.016% kept T HA PRO 58 - HB2 GLN 116 11.111% * 3.8963% (0.28 10.00 0.02 0.02) = 3.896% kept HA LEU 123 - HB2 GLN 116 11.111% * 1.3969% (1.00 1.00 0.02 0.02) = 1.397% kept HA LEU 40 - HB2 GLN 116 11.111% * 0.6177% (0.44 1.00 0.02 0.02) = 0.618% HA GLU- 15 - HB2 GLN 116 11.111% * 0.3417% (0.24 1.00 0.02 0.02) = 0.342% HA SER 13 - HB2 GLN 116 11.111% * 0.3417% (0.24 1.00 0.02 0.02) = 0.342% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3265 (0.57, 2.37, 29.51 ppm): 6 chemical-shift based assignments, quality = 0.598, support = 2.67, residual support = 20.7: QD2 LEU 115 - HB2 GLN 116 16.667% * 32.4444% (0.31 5.34 60.56) = 32.444% kept QD1 LEU 63 - HB2 GLN 116 16.667% * 22.7523% (0.73 1.62 1.87) = 22.752% kept QD1 LEU 73 - HB2 GLN 116 16.667% * 21.0743% (0.73 1.50 1.43) = 21.074% kept QD2 LEU 63 - HB2 GLN 116 16.667% * 18.2894% (0.89 1.06 1.87) = 18.289% kept QD2 LEU 80 - HB2 GLN 116 16.667% * 5.3457% (0.28 1.00 0.15) = 5.346% kept QG2 VAL 41 - HB2 GLN 116 16.667% * 0.0941% (0.24 0.02 0.02) = 0.094% Peak 3266 (0.59, 2.54, 34.75 ppm): 6 chemical-shift based assignments, quality = 0.927, support = 3.8, residual support = 36.9: QD2 LEU 115 - HG2 GLN 116 16.667% * 60.1302% (1.00 5.38 60.56) = 60.130% kept QD1 LEU 63 - HG2 GLN 116 16.667% * 15.8652% (0.77 1.84 1.87) = 15.865% kept QD1 LEU 73 - HG2 GLN 116 16.667% * 13.7896% (0.77 1.60 1.43) = 13.790% kept QD2 LEU 80 - HG2 GLN 116 16.667% * 7.0452% (1.00 0.63 0.15) = 7.045% kept QD1 LEU 104 - HG2 GLN 116 16.667% * 3.0995% (0.85 0.32 0.02) = 3.099% kept QG1 VAL 83 - HG2 GLN 116 16.667% * 0.0704% (0.31 0.02 0.02) = 0.070% Peak 3267 (7.40, 2.54, 34.75 ppm): 4 chemical-shift based assignments, quality = 0.532, support = 4.17, residual support = 86.1: O HE21 GLN 116 - HG2 GLN 116 25.000% * 99.6714% (0.53 10.0 4.18 86.36) = 99.671% kept HE21 GLN 90 - HG2 GLN 116 25.000% * 0.1813% (0.97 1.0 0.02 0.02) = 0.181% HN ALA 57 - HG2 GLN 116 25.000% * 0.1177% (0.63 1.0 0.02 0.02) = 0.118% HN ALA 120 - HG2 GLN 116 25.000% * 0.0295% (0.16 1.0 0.02 0.02) = 0.030% Peak 3268 (8.18, 2.54, 34.75 ppm): 5 chemical-shift based assignments, quality = 0.771, support = 4.39, residual support = 65.3: HN GLN 116 - HG2 GLN 116 20.000% * 75.4558% (0.73 5.61 86.36) = 75.456% kept HN THR 118 - HG2 GLN 116 20.000% * 13.2499% (0.97 0.74 0.82) = 13.250% kept HN PHE 60 - HG2 GLN 116 20.000% * 9.3511% (0.97 0.52 0.12) = 9.351% kept HN GLU- 114 - HG2 GLN 116 20.000% * 1.8529% (0.21 0.47 3.50) = 1.853% kept HN GLU- 15 - HG2 GLN 116 20.000% * 0.0904% (0.24 0.02 0.02) = 0.090% Peak 3269 (7.34, 2.37, 29.51 ppm): 8 chemical-shift based assignments, quality = 0.486, support = 0.665, residual support = 0.215: QE PHE 95 - HB2 GLN 116 12.500% * 32.6158% (0.68 0.51 0.12) = 32.616% kept QD PHE 55 - HB2 GLN 116 12.500% * 24.7707% (0.21 1.24 0.47) = 24.771% kept HN THR 23 - HB2 GLN 116 12.500% * 15.4211% (0.73 0.23 0.02) = 15.421% kept HE3 TRP 27 - HB2 GLN 116 12.500% * 14.5533% (0.16 0.98 0.36) = 14.553% kept HD2 HIS 22 - HB2 GLN 116 12.500% * 7.6785% (0.58 0.14 0.02) = 7.678% kept HN LEU 67 - HB2 GLN 116 12.500% * 1.8777% (1.00 0.02 0.02) = 1.878% kept HD21 ASN 35 - HB2 GLN 116 12.500% * 1.6340% (0.16 0.11 0.02) = 1.634% kept HD1 TRP 49 - HB2 GLN 116 12.500% * 1.4489% (0.77 0.02 0.02) = 1.449% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3270 (8.17, 2.37, 29.51 ppm): 5 chemical-shift based assignments, quality = 0.942, support = 5.47, residual support = 78.3: O HN GLN 116 - HB2 GLN 116 20.000% * 90.6487% (0.97 10.0 5.84 86.36) = 90.649% kept HN THR 118 - HB2 GLN 116 20.000% * 7.3344% (0.73 1.0 2.17 0.82) = 7.334% kept HN PHE 60 - HB2 GLN 116 20.000% * 1.9155% (0.44 1.0 0.93 0.12) = 1.915% kept HN GLU- 114 - HB2 GLN 116 20.000% * 0.0720% (0.77 1.0 0.02 3.50) = 0.072% HN LEU 71 - HB2 GLN 116 20.000% * 0.0294% (0.31 1.0 0.02 0.02) = 0.029% Peak 3271 (8.67, 2.37, 29.51 ppm): 2 chemical-shift based assignments, quality = 0.968, support = 4.28, residual support = 22.7: HN SER 117 - HB2 GLN 116 50.000% * 99.6319% (0.97 4.30 22.81) = 99.632% kept HN GLY 16 - HB2 GLN 116 50.000% * 0.3681% (0.77 0.02 0.02) = 0.368% Peak 3272 (8.67, 4.01, 60.31 ppm): 2 chemical-shift based assignments, quality = 0.962, support = 4.26, residual support = 22.6: O HN SER 117 - HA GLN 116 50.000% * 99.0090% (0.97 10.0 4.30 22.81) = 99.009% kept HN GLY 16 - HA GLN 116 50.000% * 0.9910% (0.77 1.0 0.25 0.02) = 0.991% Peak 3273 (1.48, 4.24, 61.69 ppm): 8 chemical-shift based assignments, quality = 0.844, support = 1.36, residual support = 2.27: T QB ALA 120 - HA SER 117 12.500% * 82.2517% (0.89 10.00 1.28 2.25) = 82.252% kept HG LEU 115 - HA SER 117 12.500% * 10.9478% (0.89 1.00 1.70 2.68) = 10.948% kept HB3 LEU 115 - HA SER 117 12.500% * 4.6384% (0.24 1.00 2.64 2.68) = 4.638% kept T QG2 THR 26 - HA SER 117 12.500% * 1.0793% (0.16 10.00 0.09 0.02) = 1.079% kept HG LEU 67 - HA SER 117 12.500% * 0.8463% (0.35 1.00 0.33 0.02) = 0.846% HB3 LEU 40 - HA SER 117 12.500% * 0.1441% (1.00 1.00 0.02 0.02) = 0.144% HB2 LYS+ 74 - HA SER 117 12.500% * 0.0572% (0.40 1.00 0.02 0.02) = 0.057% HG LEU 40 - HA SER 117 12.500% * 0.0351% (0.24 1.00 0.02 0.02) = 0.035% Peak 3274 (7.40, 4.24, 61.69 ppm): 4 chemical-shift based assignments, quality = 0.506, support = 2.4, residual support = 20.7: HE21 GLN 116 - HA SER 117 25.000% * 90.1960% (0.53 2.60 22.81) = 90.196% kept HN ALA 120 - HA SER 117 25.000% * 7.7202% (0.16 0.75 2.25) = 7.720% kept HE21 GLN 90 - HA SER 117 25.000% * 1.2635% (0.97 0.02 0.02) = 1.264% kept HN ALA 57 - HA SER 117 25.000% * 0.8203% (0.63 0.02 0.02) = 0.820% Peak 3275 (8.68, 4.24, 61.69 ppm): 2 chemical-shift based assignments, quality = 0.441, support = 3.36, residual support = 10.7: O HN SER 117 - HA SER 117 50.000% * 99.9518% (0.44 10.0 3.36 10.73) = 99.952% kept HN GLY 16 - HA SER 117 50.000% * 0.0482% (0.21 1.0 0.02 0.02) = 0.048% Peak 3278 (7.30, 3.93, 63.04 ppm): 8 chemical-shift based assignments, quality = 0.476, support = 0.161, residual support = 0.0196: HN LYS+ 81 - QB SER 117 12.500% * 37.3285% (0.68 0.16 0.02) = 37.328% kept HE3 TRP 27 - QB SER 117 12.500% * 26.2603% (0.44 0.18 0.02) = 26.260% kept QD PHE 55 - QB SER 117 12.500% * 22.1615% (0.35 0.18 0.02) = 22.161% kept QD PHE 60 - QB SER 117 12.500% * 9.7828% (0.28 0.10 0.02) = 9.783% kept QD PHE 60 - QB SER 48 12.500% * 2.3272% (0.06 0.12 0.02) = 2.327% kept HN LYS+ 81 - QB SER 48 12.500% * 0.9854% (0.15 0.02 0.02) = 0.985% HE3 TRP 27 - QB SER 48 12.500% * 0.6397% (0.09 0.02 0.02) = 0.640% QD PHE 55 - QB SER 48 12.500% * 0.5146% (0.08 0.02 0.02) = 0.515% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 3280 (0.23, 3.88, 68.07 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 2.87, residual support = 24.2: O T QG2 THR 118 - HB THR 118 100.000% *100.0000% (0.97 10.0 10.00 2.87 24.22) = 100.000% kept Peak 3281 (1.10, 3.88, 68.07 ppm): 3 chemical-shift based assignments, quality = 0.885, support = 0.992, residual support = 0.871: QG1 VAL 107 - HB THR 118 33.333% * 37.3925% (0.97 1.00 1.02) = 37.392% kept QG1 VAL 24 - HB THR 118 33.333% * 32.1606% (0.89 0.94 0.73) = 32.161% kept HD3 LYS+ 112 - HB THR 118 33.333% * 30.4469% (0.77 1.03 0.83) = 30.447% kept Peak 3282 (7.24, 3.88, 68.07 ppm): 4 chemical-shift based assignments, quality = 0.713, support = 0.931, residual support = 4.93: HN PHE 59 - HB THR 118 25.000% * 38.3482% (0.77 1.10 7.00) = 38.348% kept HN HIS 122 - HB THR 118 25.000% * 21.5057% (0.89 0.53 3.85) = 21.506% kept QE PHE 59 - HB THR 118 25.000% * 20.2598% (0.31 1.42 7.00) = 20.260% kept HH2 TRP 87 - HB THR 118 25.000% * 19.8863% (0.81 0.54 0.02) = 19.886% kept Peak 3283 (8.18, 3.88, 68.07 ppm): 5 chemical-shift based assignments, quality = 0.964, support = 2.29, residual support = 22.8: O HN THR 118 - HB THR 118 20.000% * 94.0735% (0.97 10.0 2.39 24.22) = 94.074% kept HN PHE 60 - HB THR 118 20.000% * 3.0198% (0.97 1.0 0.64 0.10) = 3.020% kept HN GLN 116 - HB THR 118 20.000% * 2.8625% (0.73 1.0 0.81 0.82) = 2.862% kept HN GLU- 15 - HB THR 118 20.000% * 0.0236% (0.24 1.0 0.02 0.02) = 0.024% HN GLU- 114 - HB THR 118 20.000% * 0.0206% (0.21 1.0 0.02 0.12) = 0.021% Peak 3284 (0.26, 3.69, 67.42 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3286 (1.10, 3.69, 67.42 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 0.868, residual support = 0.867: QG1 VAL 107 - HA THR 118 33.333% * 35.8813% (0.83 0.84 1.02) = 35.881% kept QG1 VAL 24 - HA THR 118 33.333% * 33.8918% (0.76 0.87 0.73) = 33.892% kept HD3 LYS+ 112 - HA THR 118 33.333% * 30.2269% (0.66 0.90 0.83) = 30.227% kept Peak 3287 (1.50, 3.69, 67.42 ppm): 5 chemical-shift based assignments, quality = 0.832, support = 1.71, residual support = 2.91: HD2 LYS+ 121 - HA THR 118 20.000% * 91.7648% (0.84 1.86 3.17) = 91.765% kept QG2 THR 26 - HA THR 118 20.000% * 5.8313% (0.84 0.12 0.02) = 5.831% kept HG2 LYS+ 65 - HA THR 118 20.000% * 1.0006% (0.85 0.02 0.02) = 1.001% kept HB2 LYS+ 74 - HA THR 118 20.000% * 0.7722% (0.66 0.02 0.02) = 0.772% QD LYS+ 66 - HA THR 118 20.000% * 0.6312% (0.54 0.02 0.02) = 0.631% Peak 3288 (2.05, 3.69, 67.42 ppm): 8 chemical-shift based assignments, quality = 0.577, support = 4.89, residual support = 47.7: T HB ILE 119 - HA THR 118 12.500% * 95.3586% (0.58 10.00 5.11 50.05) = 95.359% kept HB VAL 108 - HA THR 118 12.500% * 2.6513% (0.79 1.00 0.41 0.02) = 2.651% kept HG3 GLN 30 - HA THR 118 12.500% * 1.0776% (0.27 1.00 0.49 0.61) = 1.078% kept HB2 GLN 30 - HA THR 118 12.500% * 0.5456% (0.58 1.00 0.11 0.61) = 0.546% HB2 ARG+ 54 - HA THR 118 12.500% * 0.1365% (0.83 1.00 0.02 0.02) = 0.136% HB2 PRO 93 - HA THR 118 12.500% * 0.1297% (0.79 1.00 0.02 0.02) = 0.130% HB3 GLU- 100 - HA THR 118 12.500% * 0.0818% (0.50 1.00 0.02 0.02) = 0.082% HG2 MET 11 - HA THR 118 12.500% * 0.0190% (0.12 1.00 0.02 0.02) = 0.019% Peak 3289 (2.28, 3.69, 67.42 ppm): 7 chemical-shift based assignments, quality = 0.278, support = 5.62, residual support = 47.7: T HG12 ILE 119 - HA THR 118 14.286% * 95.2567% (0.27 10.00 5.89 50.05) = 95.257% kept QG GLN 90 - HA THR 118 14.286% * 3.4300% (0.62 1.00 0.31 0.02) = 3.430% kept QG GLU- 15 - HA THR 118 14.286% * 0.2986% (0.84 1.00 0.02 0.02) = 0.299% HB2 ASP- 44 - HA THR 118 14.286% * 0.2792% (0.79 1.00 0.02 0.02) = 0.279% QG GLU- 14 - HA THR 118 14.286% * 0.2695% (0.76 1.00 0.02 0.02) = 0.270% HB3 PHE 72 - HA THR 118 14.286% * 0.2464% (0.70 1.00 0.02 0.02) = 0.246% QB MET 11 - HA THR 118 14.286% * 0.2196% (0.62 1.00 0.02 0.02) = 0.220% Peak 3290 (3.89, 3.69, 67.42 ppm): 5 chemical-shift based assignments, quality = 0.62, support = 3.62, residual support = 24.2: O T HB THR 118 - HA THR 118 20.000% * 99.8831% (0.62 10.0 10.00 3.62 24.22) = 99.883% kept HA ILE 89 - HA THR 118 20.000% * 0.0382% (0.24 1.0 1.00 0.02 0.47) = 0.038% HB3 SER 37 - HA THR 118 20.000% * 0.0382% (0.24 1.0 1.00 0.02 0.02) = 0.038% HB THR 39 - HA THR 118 20.000% * 0.0218% (0.14 1.0 1.00 0.02 0.02) = 0.022% QB SER 13 - HA THR 118 20.000% * 0.0186% (0.12 1.0 1.00 0.02 0.02) = 0.019% Peak 3291 (7.19, 3.69, 67.42 ppm): 4 chemical-shift based assignments, quality = 0.757, support = 1.24, residual support = 2.51: QD PHE 59 - HA THR 118 25.000% * 28.9665% (0.79 1.33 7.00) = 28.967% kept HH2 TRP 49 - HA THR 118 25.000% * 27.9397% (0.66 1.53 0.86) = 27.940% kept HD1 TRP 27 - HA THR 118 25.000% * 24.7159% (0.79 1.13 0.52) = 24.716% kept HE21 GLN 30 - HA THR 118 25.000% * 18.3778% (0.81 0.82 0.61) = 18.378% kept Peak 3292 (7.48, 3.69, 67.42 ppm): 2 chemical-shift based assignments, quality = 0.316, support = 0.498, residual support = 0.597: HZ2 TRP 49 - HA THR 118 50.000% * 63.8003% (0.30 0.61 0.86) = 63.800% kept HN LEU 123 - HA THR 118 50.000% * 36.1997% (0.34 0.31 0.12) = 36.200% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3293 (7.93, 3.69, 67.42 ppm): 4 chemical-shift based assignments, quality = 0.379, support = 5.62, residual support = 48.6: O HN ILE 119 - HA THR 118 25.000% * 97.0404% (0.38 10.0 5.78 50.05) = 97.040% kept HN ILE 89 - HA THR 118 25.000% * 1.5920% (0.18 1.0 0.68 0.47) = 1.592% kept HN CYS 21 - HA THR 118 25.000% * 1.2705% (0.81 1.0 0.12 0.02) = 1.271% kept HN LYS+ 33 - HA THR 118 25.000% * 0.0970% (0.38 1.0 0.02 0.02) = 0.097% Peak 3294 (8.20, 3.69, 67.42 ppm): 4 chemical-shift based assignments, quality = 0.372, support = 3.09, residual support = 23.1: O HN THR 118 - HA THR 118 25.000% * 95.4539% (0.38 10.0 3.21 24.22) = 95.454% kept HN GLN 116 - HA THR 118 25.000% * 2.3389% (0.16 1.0 1.17 0.82) = 2.339% kept HN PHE 60 - HA THR 118 25.000% * 1.3182% (0.62 1.0 0.17 0.10) = 1.318% kept HN GLU- 15 - HA THR 118 25.000% * 0.8891% (0.70 1.0 0.10 0.02) = 0.889% Peak 3295 (3.70, 3.88, 68.07 ppm): 6 chemical-shift based assignments, quality = 0.287, support = 3.75, residual support = 30.0: O T HA THR 118 - HB THR 118 16.667% * 69.9608% (0.24 10.0 10.00 3.62 24.22) = 69.961% kept HA ILE 119 - HB THR 118 16.667% * 25.9935% (0.40 1.0 1.00 4.57 50.05) = 25.994% kept HD3 PRO 58 - HB THR 118 16.667% * 3.7151% (0.35 1.0 1.00 0.73 0.02) = 3.715% kept HA VAL 75 - HB THR 118 16.667% * 0.1948% (0.68 1.0 1.00 0.02 0.02) = 0.195% HB2 TRP 49 - HB THR 118 16.667% * 0.0904% (0.31 1.0 1.00 0.02 0.86) = 0.090% HA ALA 84 - HB THR 118 16.667% * 0.0454% (0.16 1.0 1.00 0.02 0.02) = 0.045% Peak 3296 (1.11, 0.24, 20.84 ppm): 5 chemical-shift based assignments, quality = 0.56, support = 3.25, residual support = 24.7: HG13 ILE 119 - QG2 THR 118 20.000% * 48.3953% (0.50 5.05 50.05) = 48.395% kept QG1 VAL 107 - QG2 THR 118 20.000% * 18.8353% (0.38 2.60 1.02) = 18.835% kept HD3 LYS+ 112 - QG2 THR 118 20.000% * 16.0988% (0.81 1.03 0.83) = 16.099% kept QG1 VAL 24 - QG2 THR 118 20.000% * 14.3567% (0.73 1.02 0.73) = 14.357% kept HB3 LEU 31 - QG2 THR 118 20.000% * 2.3138% (0.54 0.22 0.02) = 2.314% kept Peak 3297 (1.88, 0.24, 20.84 ppm): 11 chemical-shift based assignments, quality = 0.251, support = 1.23, residual support = 2.48: T HB3 ASP- 105 - QG2 THR 118 9.091% * 58.8542% (0.14 10.00 1.15 2.94) = 58.854% kept QB LYS+ 106 - QG2 THR 118 9.091% * 27.3702% (0.38 1.00 1.92 2.64) = 27.370% kept HB3 PRO 58 - QG2 THR 118 9.091% * 7.4496% (0.50 1.00 0.39 0.02) = 7.450% kept HB3 GLN 30 - QG2 THR 118 9.091% * 3.8465% (0.81 1.00 0.12 0.61) = 3.847% kept HB3 LYS+ 38 - QG2 THR 118 9.091% * 0.6461% (0.85 1.00 0.02 0.02) = 0.646% HB ILE 56 - QG2 THR 118 9.091% * 0.5983% (0.79 1.00 0.02 0.02) = 0.598% HB2 MET 92 - QG2 THR 118 9.091% * 0.5281% (0.70 1.00 0.02 0.02) = 0.528% QB LYS+ 81 - QG2 THR 118 9.091% * 0.2571% (0.34 1.00 0.02 0.02) = 0.257% HB3 GLN 90 - QG2 THR 118 9.091% * 0.2042% (0.27 1.00 0.02 0.02) = 0.204% QB LYS+ 33 - QG2 THR 118 9.091% * 0.1581% (0.21 1.00 0.02 0.02) = 0.158% HG2 ARG+ 54 - QG2 THR 118 9.091% * 0.0877% (0.12 1.00 0.02 0.02) = 0.088% Peak 3298 (2.25, 0.24, 20.84 ppm): 11 chemical-shift based assignments, quality = 0.515, support = 2.99, residual support = 20.3: T HB2 ASP- 105 - QG2 THR 118 9.091% * 56.9820% (0.38 10.00 1.64 2.94) = 56.982% kept HG12 ILE 119 - QG2 THR 118 9.091% * 37.1196% (0.73 1.00 5.51 50.05) = 37.120% kept HG3 MET 92 - QG2 THR 118 9.091% * 1.9806% (0.76 1.00 0.28 0.02) = 1.981% kept HB2 GLU- 29 - QG2 THR 118 9.091% * 1.7076% (0.83 1.00 0.22 0.02) = 1.708% kept QG GLN 90 - QG2 THR 118 9.091% * 0.9105% (0.38 1.00 0.26 0.02) = 0.911% QG GLU- 14 - QG2 THR 118 9.091% * 0.6984% (0.24 1.00 0.32 0.02) = 0.698% HB2 ASP- 44 - QG2 THR 118 9.091% * 0.4619% (0.21 1.00 0.24 0.02) = 0.462% HB3 PHE 72 - QG2 THR 118 9.091% * 0.0559% (0.30 1.00 0.02 0.02) = 0.056% HB3 ASP- 76 - QG2 THR 118 9.091% * 0.0335% (0.18 1.00 0.02 0.02) = 0.034% QG GLU- 15 - QG2 THR 118 9.091% * 0.0250% (0.14 1.00 0.02 0.02) = 0.025% HG2 GLU- 100 - QG2 THR 118 9.091% * 0.0250% (0.14 1.00 0.02 0.02) = 0.025% Peak 3299 (3.70, 0.24, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.289, support = 4.22, residual support = 40.1: T HA ILE 119 - QG2 THR 118 16.667% * 61.7804% (0.34 1.0 10.00 4.43 50.05) = 61.780% kept O HA THR 118 - QG2 THR 118 16.667% * 37.9848% (0.21 10.0 1.00 3.91 24.22) = 37.985% kept HA VAL 75 - QG2 THR 118 16.667% * 0.1058% (0.58 1.0 1.00 0.02 0.02) = 0.106% HD3 PRO 58 - QG2 THR 118 16.667% * 0.0552% (0.30 1.0 1.00 0.02 0.02) = 0.055% HB2 TRP 49 - QG2 THR 118 16.667% * 0.0491% (0.27 1.0 1.00 0.02 0.86) = 0.049% HA ALA 84 - QG2 THR 118 16.667% * 0.0247% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 3300 (3.89, 0.24, 20.84 ppm): 5 chemical-shift based assignments, quality = 0.62, support = 2.86, residual support = 24.2: O T HB THR 118 - QG2 THR 118 20.000% * 99.8831% (0.62 10.0 10.00 2.87 24.22) = 99.883% kept HA ILE 89 - QG2 THR 118 20.000% * 0.0382% (0.24 1.0 1.00 0.02 0.47) = 0.038% HB3 SER 37 - QG2 THR 118 20.000% * 0.0382% (0.24 1.0 1.00 0.02 0.02) = 0.038% HB THR 39 - QG2 THR 118 20.000% * 0.0218% (0.14 1.0 1.00 0.02 0.02) = 0.022% QB SER 13 - QG2 THR 118 20.000% * 0.0186% (0.12 1.0 1.00 0.02 0.02) = 0.019% Peak 3301 (6.83, 0.24, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.845, support = 0.822, residual support = 3.74: HD2 HIS 122 - QG2 THR 118 25.000% * 96.5532% (0.85 0.85 3.85) = 96.553% kept HE22 GLN 116 - QG2 THR 118 25.000% * 2.2623% (0.85 0.02 0.82) = 2.262% kept HE22 GLN 17 - QG2 THR 118 25.000% * 0.6310% (0.24 0.02 0.02) = 0.631% QD PHE 45 - QG2 THR 118 25.000% * 0.5534% (0.21 0.02 0.02) = 0.553% Peak 3302 (7.19, 0.24, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.781, support = 2.62, residual support = 3.89: QD PHE 59 - QG2 THR 118 25.000% * 51.3283% (0.79 3.84 7.00) = 51.328% kept HE21 GLN 30 - QG2 THR 118 25.000% * 20.7456% (0.81 1.51 0.61) = 20.746% kept HD1 TRP 27 - QG2 THR 118 25.000% * 18.2802% (0.79 1.37 0.52) = 18.280% kept HH2 TRP 49 - QG2 THR 118 25.000% * 9.6459% (0.66 0.86 0.86) = 9.646% kept Peak 3303 (0.25, 3.69, 66.88 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 4.43, residual support = 50.0: T QG2 THR 118 - HA ILE 119 100.000% *100.0000% (0.44 10.00 4.43 50.05) = 100.000% kept Peak 3304 (1.49, 3.69, 66.88 ppm): 8 chemical-shift based assignments, quality = 0.409, support = 3.33, residual support = 16.5: QB ALA 120 - HA ILE 119 12.500% * 48.0944% (0.31 4.53 31.10) = 48.094% kept HD2 LYS+ 121 - HA ILE 119 12.500% * 43.1597% (0.49 2.63 3.51) = 43.160% kept QG2 THR 26 - HA ILE 119 12.500% * 7.0164% (0.68 0.31 0.02) = 7.016% kept HB2 LYS+ 74 - HA ILE 119 12.500% * 0.6406% (0.95 0.02 0.14) = 0.641% HG2 LYS+ 65 - HA ILE 119 12.500% * 0.3926% (0.58 0.02 0.02) = 0.393% HB3 LEU 40 - HA ILE 119 12.500% * 0.3926% (0.58 0.02 0.02) = 0.393% HG LEU 115 - HA ILE 119 12.500% * 0.2124% (0.31 0.02 1.26) = 0.212% QD LYS+ 66 - HA ILE 119 12.500% * 0.0913% (0.14 0.02 0.02) = 0.091% Peak 3305 (7.19, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.913, support = 1.55, residual support = 3.46: QD PHE 59 - HA ILE 119 25.000% * 38.5810% (0.92 2.07 7.63) = 38.581% kept HD1 TRP 27 - HA ILE 119 25.000% * 25.7717% (0.92 1.38 1.23) = 25.772% kept HE21 GLN 30 - HA ILE 119 25.000% * 24.7056% (0.95 1.29 0.78) = 24.706% kept HH2 TRP 49 - HA ILE 119 25.000% * 10.9416% (0.77 0.70 0.02) = 10.942% kept Peak 3306 (7.92, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.938, support = 7.32, residual support = 186.0: O HN ILE 119 - HA ILE 119 25.000% * 88.1569% (0.97 10.0 8.10 210.73) = 88.157% kept HN ILE 89 - HA ILE 119 25.000% * 6.0759% (0.77 1.0 1.74 3.32) = 6.076% kept HN SER 37 - HA ILE 119 25.000% * 4.0246% (0.53 1.0 1.66 1.69) = 4.025% kept HN CYS 21 - HA ILE 119 25.000% * 1.7426% (0.77 1.0 0.50 0.02) = 1.743% kept Peak 3307 (7.45, 3.69, 66.88 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 1.3, residual support = 0.981: HN ALA 124 - HA ILE 119 33.333% * 37.4955% (0.97 1.35 1.33) = 37.495% kept HE21 GLN 17 - HA ILE 119 33.333% * 35.2734% (1.00 1.23 0.97) = 35.273% kept HN LEU 123 - HA ILE 119 33.333% * 27.2311% (0.73 1.31 0.51) = 27.231% kept Peak 3308 (4.02, 2.03, 38.31 ppm): 8 chemical-shift based assignments, quality = 0.703, support = 1.11, residual support = 6.33: HA GLN 116 - HB ILE 119 12.500% * 59.2241% (0.77 1.50 9.02) = 59.224% kept HA VAL 70 - HB ILE 119 12.500% * 22.8482% (0.77 0.58 3.26) = 22.848% kept HB2 SER 37 - HB ILE 119 12.500% * 14.3461% (0.44 0.65 1.69) = 14.346% kept HA VAL 18 - HB ILE 119 12.500% * 1.6594% (0.32 0.10 0.02) = 1.659% kept HA1 GLY 16 - HB ILE 119 12.500% * 0.7699% (0.15 0.10 0.02) = 0.770% HA LYS+ 33 - HB ILE 119 12.500% * 0.5243% (0.51 0.02 0.02) = 0.524% HA GLU- 29 - HB ILE 119 12.500% * 0.3664% (0.36 0.02 0.02) = 0.366% HB2 SER 82 - HB ILE 119 12.500% * 0.2618% (0.26 0.02 0.02) = 0.262% Peak 3309 (7.44, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.438, support = 3.29, residual support = 17.4: HN ALA 120 - HB ILE 119 25.000% * 54.4692% (0.40 4.92 31.10) = 54.469% kept HN ALA 124 - HB ILE 119 25.000% * 22.6836% (0.59 1.37 1.33) = 22.684% kept HE21 GLN 17 - HB ILE 119 25.000% * 16.3821% (0.47 1.24 0.97) = 16.382% kept HN LEU 123 - HB ILE 119 25.000% * 6.4651% (0.15 1.54 0.51) = 6.465% kept Peak 3310 (7.92, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.757, support = 7.09, residual support = 181.1: O HN ILE 119 - HB ILE 119 25.000% * 85.7726% (0.79 10.0 7.93 210.73) = 85.773% kept HN ILE 89 - HB ILE 119 25.000% * 6.3928% (0.63 1.0 1.88 3.32) = 6.393% kept HN SER 37 - HB ILE 119 25.000% * 6.0613% (0.44 1.0 2.57 1.69) = 6.061% kept HN CYS 21 - HB ILE 119 25.000% * 1.7733% (0.63 1.0 0.52 0.02) = 1.773% kept Peak 3311 (3.97, 0.96, 17.56 ppm): 9 chemical-shift based assignments, quality = 0.444, support = 3.06, residual support = 26.2: HA ALA 120 - QG2 ILE 119 11.111% * 84.3488% (0.44 3.60 31.10) = 84.349% kept HA ALA 88 - QG2 ILE 119 11.111% * 7.0132% (0.40 0.33 0.02) = 7.013% kept HA2 GLY 16 - QG2 ILE 119 11.111% * 5.1340% (0.85 0.11 0.02) = 5.134% kept HA LYS+ 65 - QG2 ILE 119 11.111% * 0.9819% (0.92 0.02 0.02) = 0.982% QB SER 85 - QG2 ILE 119 11.111% * 0.9093% (0.85 0.02 0.02) = 0.909% HD2 PRO 52 - QG2 ILE 119 11.111% * 0.7222% (0.68 0.02 0.02) = 0.722% HA GLN 32 - QG2 ILE 119 11.111% * 0.4689% (0.44 0.02 0.02) = 0.469% QB SER 48 - QG2 ILE 119 11.111% * 0.2260% (0.21 0.02 0.02) = 0.226% HA SER 48 - QG2 ILE 119 11.111% * 0.1957% (0.18 0.02 0.02) = 0.196% Peak 3312 (7.44, 0.96, 17.56 ppm): 4 chemical-shift based assignments, quality = 0.53, support = 3.65, residual support = 16.2: HN ALA 120 - QG2 ILE 119 25.000% * 50.5234% (0.49 5.43 31.10) = 50.523% kept HN ALA 124 - QG2 ILE 119 25.000% * 23.7082% (0.73 1.71 1.33) = 23.708% kept HE21 GLN 17 - QG2 ILE 119 25.000% * 16.0951% (0.58 1.45 0.97) = 16.095% kept HN LEU 123 - QG2 ILE 119 25.000% * 9.6733% (0.18 2.75 0.51) = 9.673% kept Peak 3313 (7.91, 0.96, 17.56 ppm): 4 chemical-shift based assignments, quality = 0.81, support = 5.34, residual support = 131.1: HN ILE 119 - QG2 ILE 119 25.000% * 61.7287% (0.73 7.57 210.73) = 61.729% kept HN ILE 89 - QG2 ILE 119 25.000% * 22.2800% (0.95 2.09 3.32) = 22.280% kept HN SER 37 - QG2 ILE 119 25.000% * 14.7401% (1.00 1.32 1.69) = 14.740% kept HN CYS 21 - QG2 ILE 119 25.000% * 1.2512% (0.21 0.52 0.02) = 1.251% kept Peak 3314 (0.60, 2.26, 30.83 ppm): 6 chemical-shift based assignments, quality = 0.857, support = 0.959, residual support = 1.05: QD1 LEU 104 - HG12 ILE 119 16.667% * 36.6415% (1.00 1.12 1.51) = 36.642% kept QD2 LEU 115 - HG12 ILE 119 16.667% * 27.2984% (0.85 0.98 1.26) = 27.298% kept QG1 VAL 83 - HG12 ILE 119 16.667% * 21.4100% (0.63 1.04 0.70) = 21.410% kept QD2 LEU 80 - HG12 ILE 119 16.667% * 13.1700% (0.89 0.45 0.02) = 13.170% kept QD1 LEU 63 - HG12 ILE 119 16.667% * 1.1915% (0.44 0.08 0.02) = 1.192% kept QD1 LEU 73 - HG12 ILE 119 16.667% * 0.2885% (0.44 0.02 0.02) = 0.289% Peak 3315 (0.60, 1.12, 30.83 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 1.21, residual support = 1.08: QD2 LEU 115 - HG13 ILE 119 16.667% * 37.2238% (0.85 1.60 1.26) = 37.224% kept QD1 LEU 104 - HG13 ILE 119 16.667% * 31.5313% (1.00 1.16 1.51) = 31.531% kept QG1 VAL 83 - HG13 ILE 119 16.667% * 18.3543% (0.63 1.07 0.70) = 18.354% kept QD2 LEU 80 - HG13 ILE 119 16.667% * 11.6612% (0.89 0.48 0.02) = 11.661% kept QD1 LEU 63 - HG13 ILE 119 16.667% * 0.9897% (0.44 0.08 0.02) = 0.990% QD1 LEU 73 - HG13 ILE 119 16.667% * 0.2397% (0.44 0.02 0.02) = 0.240% Peak 3316 (0.17, 1.12, 30.83 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 0.75, residual support = 3.26: QG2 VAL 70 - HG13 ILE 119 100.000% *100.0000% (0.58 0.75 3.26) = 100.000% kept Peak 3317 (7.19, 1.12, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 2.07, residual support = 4.12: QD PHE 59 - HG13 ILE 119 25.000% * 48.1937% (0.92 3.00 7.63) = 48.194% kept HD1 TRP 27 - HG13 ILE 119 25.000% * 22.8002% (0.92 1.42 1.23) = 22.800% kept HE21 GLN 30 - HG13 ILE 119 25.000% * 20.2353% (0.95 1.22 0.78) = 20.235% kept HH2 TRP 49 - HG13 ILE 119 25.000% * 8.7708% (0.77 0.65 0.02) = 8.771% kept Peak 3318 (7.91, 1.12, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.81, support = 5.09, residual support = 139.4: HN ILE 119 - HG13 ILE 119 25.000% * 65.7507% (0.73 7.03 210.73) = 65.751% kept HN ILE 89 - HG13 ILE 119 25.000% * 17.2334% (0.95 1.41 3.32) = 17.233% kept HN SER 37 - HG13 ILE 119 25.000% * 16.9612% (1.00 1.32 1.69) = 16.961% kept HN CYS 21 - HG13 ILE 119 25.000% * 0.0548% (0.21 0.02 0.02) = 0.055% Peak 3319 (7.20, 2.26, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 2.55, residual support = 4.78: QD PHE 59 - HG12 ILE 119 25.000% * 57.0864% (0.77 3.35 7.63) = 57.086% kept HD1 TRP 27 - HG12 ILE 119 25.000% * 26.3202% (0.77 1.54 1.23) = 26.320% kept HE21 GLN 30 - HG12 ILE 119 25.000% * 11.8167% (0.35 1.51 0.78) = 11.817% kept HH2 TRP 49 - HG12 ILE 119 25.000% * 4.7767% (0.18 1.17 0.02) = 4.777% kept Peak 3320 (7.91, 2.26, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.796, support = 5.74, residual support = 143.1: HN ILE 119 - HG12 ILE 119 25.000% * 67.5349% (0.73 7.86 210.73) = 67.535% kept HN SER 37 - HG12 ILE 119 25.000% * 15.7327% (1.00 1.33 1.69) = 15.733% kept HN ILE 89 - HG12 ILE 119 25.000% * 15.4122% (0.95 1.37 3.32) = 15.412% kept HN CYS 21 - HG12 ILE 119 25.000% * 1.3202% (0.21 0.53 0.02) = 1.320% kept Peak 3321 (0.17, 1.02, 16.06 ppm): 1 chemical-shift based assignment, quality = 0.553, support = 1.89, residual support = 3.26: QG2 VAL 70 - QD1 ILE 119 100.000% *100.0000% (0.55 1.89 3.26) = 100.000% kept Peak 3322 (0.61, 1.02, 16.06 ppm): 5 chemical-shift based assignments, quality = 0.558, support = 1.38, residual support = 1.4: T QD1 LEU 104 - QD1 ILE 119 20.000% * 79.8234% (0.55 10.00 1.37 1.51) = 79.823% kept QG1 VAL 83 - QD1 ILE 119 20.000% * 8.8296% (0.95 1.00 0.88 0.70) = 8.830% kept QD2 LEU 115 - QD1 ILE 119 20.000% * 6.9835% (0.26 1.00 2.51 1.26) = 6.983% kept QD2 LEU 80 - QD1 ILE 119 20.000% * 2.9638% (0.30 1.00 0.94 0.02) = 2.964% kept QG2 ILE 89 - QD1 ILE 119 20.000% * 1.3997% (0.42 1.00 0.32 3.32) = 1.400% kept Peak 3323 (4.03, 1.02, 16.06 ppm): 5 chemical-shift based assignments, quality = 0.432, support = 2.68, residual support = 7.89: T HA GLN 116 - QD1 ILE 119 20.000% * 83.1157% (0.38 10.00 2.97 9.02) = 83.116% kept HB2 SER 37 - QD1 ILE 119 20.000% * 9.7331% (0.95 1.00 0.93 1.69) = 9.733% kept HA VAL 70 - QD1 ILE 119 20.000% * 6.9707% (0.38 1.00 1.68 3.26) = 6.971% kept HA1 GLY 16 - QD1 ILE 119 20.000% * 0.1522% (0.69 1.00 0.02 0.02) = 0.152% HA LYS+ 33 - QD1 ILE 119 20.000% * 0.0284% (0.13 1.00 0.02 0.02) = 0.028% Peak 3324 (6.72, 1.02, 16.06 ppm): 1 chemical-shift based assignment, quality = 0.938, support = 1.11, residual support = 2.61: T HZ PHE 72 - QD1 ILE 119 100.000% *100.0000% (0.94 10.00 1.11 2.61) = 100.000% kept Peak 3325 (7.00, 1.02, 16.06 ppm): 3 chemical-shift based assignments, quality = 0.543, support = 0.977, residual support = 2.13: QE PHE 72 - QD1 ILE 119 33.333% * 81.6990% (0.46 1.17 2.61) = 81.699% kept HN ALA 47 - QD1 ILE 119 33.333% * 17.2837% (0.94 0.12 0.02) = 17.284% kept QD PHE 95 - QD1 ILE 119 33.333% * 1.0173% (0.34 0.02 0.02) = 1.017% kept Peak 3326 (7.23, 1.02, 16.06 ppm): 3 chemical-shift based assignments, quality = 0.775, support = 0.461, residual support = 2.72: HH2 TRP 87 - QD1 ILE 119 33.333% * 46.1195% (0.88 0.46 0.47) = 46.119% kept HN HIS 122 - QD1 ILE 119 33.333% * 42.9303% (0.81 0.46 3.90) = 42.930% kept HN PHE 59 - QD1 ILE 119 33.333% * 10.9503% (0.20 0.47 7.63) = 10.950% kept Peak 3327 (7.92, 1.02, 16.06 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 5.5, residual support = 150.4: HN ILE 119 - QD1 ILE 119 25.000% * 71.0733% (0.92 7.03 210.73) = 71.073% kept HN SER 37 - QD1 ILE 119 25.000% * 13.2350% (0.51 2.38 1.69) = 13.235% kept HN ILE 89 - QD1 ILE 119 25.000% * 11.4230% (0.73 1.42 3.32) = 11.423% kept HN CYS 21 - QD1 ILE 119 25.000% * 4.2687% (0.73 0.53 0.02) = 4.269% kept Peak 3328 (0.88, 3.95, 55.35 ppm): 6 chemical-shift based assignments, quality = 0.351, support = 3.25, residual support = 8.85: T QD1 LEU 123 - HA ALA 120 16.667% * 88.3217% (0.31 10.00 3.60 10.02) = 88.322% kept QG1 VAL 18 - HA ALA 120 16.667% * 7.6825% (0.73 1.00 0.75 0.02) = 7.683% kept QG1 VAL 70 - HA ALA 120 16.667% * 2.1213% (0.58 1.00 0.26 0.02) = 2.121% kept QD1 LEU 71 - HA ALA 120 16.667% * 1.4908% (0.31 1.00 0.34 0.02) = 1.491% kept HB3 LEU 63 - HA ALA 120 16.667% * 0.2724% (0.97 1.00 0.02 0.02) = 0.272% QG1 VAL 108 - HA ALA 120 16.667% * 0.1112% (0.40 1.00 0.02 0.02) = 0.111% Peak 3329 (7.45, 3.95, 55.35 ppm): 3 chemical-shift based assignments, quality = 0.873, support = 3.05, residual support = 5.01: HN ALA 124 - HA ALA 120 33.333% * 42.1935% (0.97 2.93 1.68) = 42.194% kept HN LEU 123 - HA ALA 120 33.333% * 42.0063% (0.73 3.91 10.02) = 42.006% kept HE21 GLN 17 - HA ALA 120 33.333% * 15.8002% (1.00 1.07 0.60) = 15.800% kept Peak 3331 (7.49, 3.94, 58.66 ppm): 4 chemical-shift based assignments, quality = 0.314, support = 6.38, residual support = 269.6: O HN LYS+ 121 - HA LYS+ 121 25.000% * 99.6925% (0.31 10.0 6.40 270.40) = 99.693% kept HZ2 TRP 49 - HA LYS+ 121 25.000% * 0.2922% (0.92 1.0 0.02 0.42) = 0.292% HZ2 TRP 49 - HA LYS+ 65 25.000% * 0.0114% (0.04 1.0 0.02 0.02) = 0.011% HN LYS+ 121 - HA LYS+ 65 25.000% * 0.0039% (0.01 1.0 0.02 0.02) = 0.004% Peak 3332 (3.69, 1.66, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.872, support = 2.2, residual support = 2.79: HA ILE 119 - HB2 LYS+ 121 16.667% * 44.1752% (0.95 2.57 3.51) = 44.175% kept HA THR 118 - HB2 LYS+ 121 16.667% * 37.2405% (0.81 2.52 3.17) = 37.241% kept HB2 TRP 49 - HB2 LYS+ 121 16.667% * 13.6242% (0.89 0.84 0.42) = 13.624% kept HA ALA 84 - HB2 LYS+ 121 16.667% * 4.0568% (0.68 0.33 0.02) = 4.057% kept HA VAL 75 - HB2 LYS+ 121 16.667% * 0.7436% (0.16 0.26 0.02) = 0.744% HA2 GLY 109 - HB2 LYS+ 121 16.667% * 0.1596% (0.44 0.02 0.02) = 0.160% Peak 3333 (3.69, 1.52, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.669, support = 1.86, residual support = 2.73: HA ILE 119 - HB3 LYS+ 121 16.667% * 42.4997% (0.73 2.15 3.51) = 42.500% kept HA THR 118 - HB3 LYS+ 121 16.667% * 37.4930% (0.63 2.21 3.17) = 37.493% kept HB2 TRP 49 - HB3 LYS+ 121 16.667% * 13.1489% (0.69 0.71 0.42) = 13.149% kept HA ALA 84 - HB3 LYS+ 121 16.667% * 5.9178% (0.52 0.42 0.02) = 5.918% kept HA VAL 75 - HB3 LYS+ 121 16.667% * 0.7570% (0.12 0.23 0.02) = 0.757% HA2 GLY 109 - HB3 LYS+ 121 16.667% * 0.1836% (0.34 0.02 0.02) = 0.184% Peak 3334 (7.51, 1.52, 32.89 ppm): 2 chemical-shift based assignments, quality = 0.659, support = 6.54, residual support = 270.3: O HN LYS+ 121 - HB3 LYS+ 121 50.000% * 99.9715% (0.66 10.0 6.54 270.40) = 99.971% kept HZ2 TRP 49 - HB3 LYS+ 121 50.000% * 0.0285% (0.19 1.0 0.02 0.42) = 0.029% Peak 3335 (7.23, 1.52, 32.89 ppm): 3 chemical-shift based assignments, quality = 0.666, support = 4.89, residual support = 38.1: HN HIS 122 - HB3 LYS+ 121 33.333% * 87.0379% (0.66 5.51 43.70) = 87.038% kept HH2 TRP 87 - HB3 LYS+ 121 33.333% * 12.8836% (0.71 0.76 0.46) = 12.884% kept HN PHE 59 - HB3 LYS+ 121 33.333% * 0.0785% (0.16 0.02 0.15) = 0.079% Peak 3336 (7.21, 1.66, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.283, support = 5.52, residual support = 35.2: HN HIS 122 - HB2 LYS+ 121 25.000% * 80.3057% (0.28 6.68 43.70) = 80.306% kept HH2 TRP 87 - HB2 LYS+ 121 25.000% * 13.1882% (0.35 0.86 0.46) = 13.188% kept QD PHE 59 - HB2 LYS+ 121 25.000% * 6.3223% (0.21 0.69 0.15) = 6.322% kept HD1 TRP 27 - HB2 LYS+ 121 25.000% * 0.1838% (0.21 0.02 0.02) = 0.184% Peak 3337 (7.50, 1.66, 32.89 ppm): 2 chemical-shift based assignments, quality = 0.89, support = 6.8, residual support = 270.2: O HN LYS+ 121 - HB2 LYS+ 121 50.000% * 99.9087% (0.89 10.0 6.80 270.40) = 99.909% kept HZ2 TRP 49 - HB2 LYS+ 121 50.000% * 0.0913% (0.81 1.0 0.02 0.42) = 0.091% Peak 3340 (0.94, 3.45, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.305, support = 0.832, residual support = 2.11: QG2 ILE 119 - HB2 HIS 122 33.333% * 42.1879% (0.40 0.73 3.90) = 42.188% kept QD1 ILE 103 - HB2 HIS 122 33.333% * 35.1537% (0.21 1.13 1.14) = 35.154% kept QD2 LEU 67 - HB2 HIS 122 33.333% * 22.6585% (0.28 0.56 0.31) = 22.658% kept Peak 3341 (0.61, 3.45, 31.73 ppm): 5 chemical-shift based assignments, quality = 0.37, support = 0.839, residual support = 1.82: QD2 LEU 115 - HB2 HIS 122 20.000% * 74.0065% (0.28 1.10 2.28) = 74.006% kept QD1 LEU 104 - HB2 HIS 122 20.000% * 17.5305% (0.58 0.12 0.77) = 17.531% kept QG1 VAL 83 - HB2 HIS 122 20.000% * 4.8134% (1.00 0.02 0.02) = 4.813% kept QG2 ILE 89 - HB2 HIS 122 20.000% * 2.1285% (0.44 0.02 0.02) = 2.128% kept QD2 LEU 80 - HB2 HIS 122 20.000% * 1.5211% (0.31 0.02 0.02) = 1.521% kept Peak 3342 (6.83, 3.45, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 2.74, residual support = 58.6: O HD2 HIS 122 - HB2 HIS 122 25.000% * 96.4030% (1.00 10.0 2.82 60.83) = 96.403% kept HE22 GLN 116 - HB2 HIS 122 25.000% * 2.5579% (1.00 1.0 0.53 0.02) = 2.558% kept QD PHE 45 - HB2 HIS 122 25.000% * 1.0123% (0.24 1.0 0.86 0.02) = 1.012% kept HE22 GLN 17 - HB2 HIS 122 25.000% * 0.0268% (0.28 1.0 0.02 0.02) = 0.027% Peak 3343 (7.21, 3.45, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.279, support = 4.13, residual support = 58.9: O HN HIS 122 - HB2 HIS 122 25.000% * 96.8486% (0.28 10.0 4.25 60.83) = 96.849% kept HH2 TRP 87 - HB2 HIS 122 25.000% * 1.9311% (0.35 1.0 0.31 0.02) = 1.931% kept QD PHE 59 - HB2 HIS 122 25.000% * 1.1463% (0.21 1.0 0.31 0.02) = 1.146% kept HD1 TRP 27 - HB2 HIS 122 25.000% * 0.0740% (0.21 1.0 0.02 0.02) = 0.074% Peak 3344 (6.83, 2.76, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 60.7: O HD2 HIS 122 - HB3 HIS 122 25.000% * 99.8484% (1.00 10.0 3.74 60.83) = 99.848% kept HE22 GLN 116 - HB3 HIS 122 25.000% * 0.0995% (1.00 1.0 0.02 0.02) = 0.100% HE22 GLN 17 - HB3 HIS 122 25.000% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% QD PHE 45 - HB3 HIS 122 25.000% * 0.0243% (0.24 1.0 0.02 0.02) = 0.024% Peak 3345 (7.23, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.856, support = 5.98, residual support = 59.3: O HN HIS 122 - HB3 HIS 122 33.333% * 97.4996% (0.85 10.0 6.12 60.83) = 97.500% kept HH2 TRP 87 - HB3 HIS 122 33.333% * 2.4762% (0.92 1.0 0.47 0.02) = 2.476% kept HN PHE 59 - HB3 HIS 122 33.333% * 0.0242% (0.21 1.0 0.02 0.02) = 0.024% Peak 3346 (0.94, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.31, support = 0.73, residual support = 2.16: QG2 ILE 119 - HB3 HIS 122 33.333% * 44.2928% (0.40 0.69 3.90) = 44.293% kept QD1 ILE 103 - HB3 HIS 122 33.333% * 31.9182% (0.21 0.93 1.14) = 31.918% kept QD2 LEU 67 - HB3 HIS 122 33.333% * 23.7890% (0.28 0.53 0.31) = 23.789% kept Peak 3347 (3.95, 1.85, 26.16 ppm): 10 chemical-shift based assignments, quality = 0.503, support = 1.65, residual support = 4.18: HA ALA 120 - HG LEU 123 10.000% * 36.5433% (0.57 1.00 2.56 10.02) = 36.543% kept QB SER 85 - HG LEU 123 10.000% * 15.5065% (0.50 1.00 1.25 0.99) = 15.507% kept HA2 GLY 16 - HG LEU 123 10.000% * 15.5065% (0.50 1.00 1.25 1.05) = 15.507% kept QB SER 48 - HG LEU 123 10.000% * 12.9605% (0.47 1.00 1.10 0.17) = 12.961% kept HA LYS+ 65 - HG LEU 123 10.000% * 12.3908% (0.45 1.00 1.11 0.62) = 12.391% kept HA LYS+ 121 - HG LEU 123 10.000% * 6.3011% (0.34 1.00 0.75 1.71) = 6.301% kept T HD2 PRO 52 - HG LEU 123 10.000% * 0.3920% (0.08 10.00 0.02 0.02) = 0.392% HB THR 94 - HG LEU 123 10.000% * 0.1967% (0.40 1.00 0.02 0.02) = 0.197% HA2 GLY 51 - HG LEU 123 10.000% * 0.1410% (0.28 1.00 0.02 0.02) = 0.141% QB SER 117 - HG LEU 123 10.000% * 0.0616% (0.12 1.00 0.02 0.02) = 0.062% Peak 3348 (7.48, 1.85, 26.16 ppm): 2 chemical-shift based assignments, quality = 0.229, support = 4.98, residual support = 168.3: HN LEU 123 - HG LEU 123 50.000% * 92.1695% (0.23 5.36 182.54) = 92.170% kept HZ2 TRP 49 - HG LEU 123 50.000% * 7.8305% (0.21 0.51 0.25) = 7.830% kept Peak 3349 (3.95, 1.63, 43.16 ppm): 10 chemical-shift based assignments, quality = 0.869, support = 1.68, residual support = 4.4: HA ALA 120 - HB3 LEU 123 10.000% * 38.5110% (0.99 2.61 10.02) = 38.511% kept QB SER 85 - HB3 LEU 123 10.000% * 16.2399% (0.85 1.27 0.99) = 16.240% kept HA2 GLY 16 - HB3 LEU 123 10.000% * 16.2399% (0.85 1.27 1.05) = 16.240% kept HA LYS+ 65 - HB3 LEU 123 10.000% * 13.2145% (0.77 1.14 0.62) = 13.214% kept QB SER 48 - HB3 LEU 123 10.000% * 8.5621% (0.81 0.70 0.17) = 8.562% kept HA LYS+ 121 - HB3 LEU 123 10.000% * 6.7797% (0.58 0.78 1.71) = 6.780% kept HB THR 94 - HB3 LEU 123 10.000% * 0.2031% (0.68 0.02 0.02) = 0.203% HA2 GLY 51 - HB3 LEU 123 10.000% * 0.1456% (0.49 0.02 0.02) = 0.146% QB SER 117 - HB3 LEU 123 10.000% * 0.0636% (0.21 0.02 0.02) = 0.064% HD2 PRO 52 - HB3 LEU 123 10.000% * 0.0405% (0.14 0.02 0.02) = 0.040% Peak 3350 (7.46, 1.63, 43.16 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 166.8: O HN LEU 123 - HB3 LEU 123 33.333% * 90.8594% (0.97 10.0 5.36 182.54) = 90.859% kept HN ALA 124 - HB3 LEU 123 33.333% * 9.0861% (0.44 1.0 4.41 10.84) = 9.086% kept HE21 GLN 17 - HB3 LEU 123 33.333% * 0.0545% (0.58 1.0 0.02 0.02) = 0.054% Peak 3351 (3.95, 1.68, 43.16 ppm): 10 chemical-shift based assignments, quality = 0.738, support = 1.56, residual support = 2.22: T HA LYS+ 65 - HB2 LEU 123 10.000% * 37.6850% (0.77 10.00 1.18 0.62) = 37.685% kept T HA LYS+ 121 - HB2 LEU 123 10.000% * 36.6316% (0.58 10.00 1.52 1.71) = 36.632% kept HA ALA 120 - HB2 LEU 123 10.000% * 12.4535% (0.99 1.00 3.04 10.02) = 12.453% kept HA2 GLY 16 - HB2 LEU 123 10.000% * 6.0322% (0.85 1.00 1.70 1.05) = 6.032% kept QB SER 85 - HB2 LEU 123 10.000% * 4.6030% (0.85 1.00 1.30 0.99) = 4.603% kept QB SER 48 - HB2 LEU 123 10.000% * 2.4691% (0.81 1.00 0.73 0.17) = 2.469% kept HB THR 94 - HB2 LEU 123 10.000% * 0.0564% (0.68 1.00 0.02 0.02) = 0.056% HA2 GLY 51 - HB2 LEU 123 10.000% * 0.0404% (0.49 1.00 0.02 0.02) = 0.040% QB SER 117 - HB2 LEU 123 10.000% * 0.0176% (0.21 1.00 0.02 0.02) = 0.018% HD2 PRO 52 - HB2 LEU 123 10.000% * 0.0112% (0.14 1.00 0.02 0.02) = 0.011% Peak 3352 (7.46, 1.68, 43.16 ppm): 3 chemical-shift based assignments, quality = 0.928, support = 5.74, residual support = 168.4: O HN LEU 123 - HB2 LEU 123 33.333% * 91.7586% (0.97 10.0 5.90 182.54) = 91.759% kept HN ALA 124 - HB2 LEU 123 33.333% * 8.1864% (0.44 1.0 3.93 10.84) = 8.186% kept HE21 GLN 17 - HB2 LEU 123 33.333% * 0.0550% (0.58 1.0 0.02 0.02) = 0.055% Peak 3353 (3.97, 0.86, 26.01 ppm): 9 chemical-shift based assignments, quality = 0.545, support = 2.93, residual support = 7.51: T HA ALA 120 - QD1 LEU 123 11.111% * 72.6677% (0.44 10.00 3.60 10.02) = 72.668% kept QB SER 85 - QD1 LEU 123 11.111% * 8.5913% (0.85 1.00 1.22 0.99) = 8.591% kept HA2 GLY 16 - QD1 LEU 123 11.111% * 8.5913% (0.85 1.00 1.22 1.05) = 8.591% kept HA LYS+ 65 - QD1 LEU 123 11.111% * 7.9802% (0.92 1.00 1.05 0.62) = 7.980% kept QB SER 48 - QD1 LEU 123 11.111% * 1.8890% (0.21 1.00 1.08 0.17) = 1.889% kept HD2 PRO 52 - QD1 LEU 123 11.111% * 0.1119% (0.68 1.00 0.02 0.02) = 0.112% HA GLN 32 - QD1 LEU 123 11.111% * 0.0727% (0.44 1.00 0.02 0.02) = 0.073% HA ALA 88 - QD1 LEU 123 11.111% * 0.0654% (0.40 1.00 0.02 0.02) = 0.065% HA SER 48 - QD1 LEU 123 11.111% * 0.0303% (0.18 1.00 0.02 0.17) = 0.030% Peak 3354 (7.46, 1.35, 20.20 ppm): 3 chemical-shift based assignments, quality = 0.572, support = 1.86, residual support = 8.46: O HN ALA 124 - QB ALA 124 33.333% * 75.0976% (0.44 10.0 1.65 7.68) = 75.098% kept HN LEU 123 - QB ALA 124 33.333% * 24.7824% (0.97 1.0 2.48 10.84) = 24.782% kept HE21 GLN 17 - QB ALA 124 33.333% * 0.1200% (0.58 1.0 0.02 0.02) = 0.120% Peak 3355 (7.45, 4.11, 54.16 ppm): 6 chemical-shift based assignments, quality = 0.945, support = 1.74, residual support = 8.0: O HN ALA 124 - HA ALA 124 16.667% * 89.6984% (0.97 10.0 1.65 7.68) = 89.698% kept HN LEU 123 - HA ALA 124 16.667% * 10.1682% (0.73 1.0 2.51 10.84) = 10.168% kept HE21 GLN 17 - HA ALA 124 16.667% * 0.1117% (1.00 1.0 0.02 0.02) = 0.112% HE21 GLN 17 - HA ALA 34 16.667% * 0.0081% (0.07 1.0 0.02 0.02) = 0.008% HN ALA 124 - HA ALA 34 16.667% * 0.0078% (0.07 1.0 0.02 0.02) = 0.008% HN LEU 123 - HA ALA 34 16.667% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% Peak 3356 (7.45, 4.38, 55.67 ppm): 3 chemical-shift based assignments, quality = 0.866, support = 4.65, residual support = 84.2: O HN ALA 124 - HA LEU 123 33.333% * 57.1953% (0.97 10.0 3.85 10.84) = 57.195% kept O HN LEU 123 - HA LEU 123 33.333% * 42.7458% (0.73 10.0 5.73 182.54) = 42.746% kept HE21 GLN 17 - HA LEU 123 33.333% * 0.0589% (1.00 1.0 0.02 0.02) = 0.059% Peak 3357 (9.01, 4.38, 55.67 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 0.522, residual support = 0.522: HN VAL 41 - HA LEU 123 100.000% *100.0000% (0.44 0.52 0.52) = 100.000% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 3358 (8.63, 4.60, 54.68 ppm): 3 chemical-shift based assignments, quality = 0.593, support = 5.11, residual support = 20.6: O HN ILE 103 - HA LYS+ 102 33.333% * 95.1676% (0.58 10.0 5.34 21.70) = 95.168% kept HN GLN 90 - HA LYS+ 102 33.333% * 4.7372% (0.81 1.0 0.71 0.02) = 4.737% kept HN SER 82 - HA LYS+ 102 33.333% * 0.0952% (0.58 1.0 0.02 0.02) = 0.095% Peak 3359 (9.88, 4.95, 63.38 ppm): 1 chemical-shift based assignment, quality = 0.631, support = 3.15, residual support = 12.6: O HN PHE 95 - HA THR 94 100.000% *100.0000% (0.63 10.0 3.15 12.63) = 100.000% kept Peak 3360 (8.08, 1.41, 40.36 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.7, residual support = 51.4: O HN LEU 80 - HB2 LEU 80 25.000% * 94.9682% (1.00 10.0 4.89 54.12) = 94.968% kept HN ALA 34 - HB2 LEU 80 25.000% * 4.9288% (0.95 1.0 1.09 0.02) = 4.929% kept HN CYS 53 - HB2 LEU 80 25.000% * 0.0879% (0.92 1.0 0.02 0.02) = 0.088% HN GLN 32 - HB2 LEU 80 25.000% * 0.0151% (0.16 1.0 0.02 0.02) = 0.015% Peak 3361 (8.08, 1.34, 40.36 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.24, residual support = 50.2: O HN LEU 80 - HB3 LEU 80 25.000% * 92.7027% (1.00 10.0 4.51 54.12) = 92.703% kept HN ALA 34 - HB3 LEU 80 25.000% * 4.8112% (0.95 1.0 1.09 0.02) = 4.811% kept HN CYS 53 - HB3 LEU 80 25.000% * 2.4713% (0.92 1.0 0.58 0.02) = 2.471% kept HN GLN 32 - HB3 LEU 80 25.000% * 0.0147% (0.16 1.0 0.02 0.02) = 0.015% Peak 3362 (4.81, 1.34, 40.36 ppm): 5 chemical-shift based assignments, quality = 0.957, support = 4.65, residual support = 50.6: O HA LEU 80 - HB3 LEU 80 20.000% * 93.2092% (0.97 10.0 4.94 54.12) = 93.209% kept HA THR 23 - HB3 LEU 80 20.000% * 2.7181% (0.85 1.0 0.66 1.52) = 2.718% kept HB THR 23 - HB3 LEU 80 20.000% * 2.4461% (0.85 1.0 0.60 1.52) = 2.446% kept HA ASP- 78 - HB3 LEU 80 20.000% * 1.5754% (0.49 1.0 0.67 3.49) = 1.575% kept HA ASP- 105 - HB3 LEU 80 20.000% * 0.0512% (0.53 1.0 0.02 0.02) = 0.051% Peak 3363 (1.34, 1.34, 40.36 ppm): 1 diagonal assignment: * HB3 LEU 80 - HB3 LEU 80 (1.00) kept Peak 3364 (0.58, 1.34, 40.36 ppm): 7 chemical-shift based assignments, quality = 0.659, support = 1.84, residual support = 23.9: O QD2 LEU 80 - HB3 LEU 80 14.286% * 43.7577% (0.44 10.0 1.00 3.63 54.12) = 43.758% kept T QD1 LEU 63 - HB3 LEU 80 14.286% * 22.7655% (0.89 1.0 10.00 0.51 0.48) = 22.766% kept T QD1 LEU 73 - HB3 LEU 80 14.286% * 16.7141% (0.89 1.0 10.00 0.38 0.02) = 16.714% kept T QD2 LEU 63 - HB3 LEU 80 14.286% * 15.7620% (0.73 1.0 10.00 0.44 0.48) = 15.762% kept QD2 LEU 115 - HB3 LEU 80 14.286% * 0.7762% (0.49 1.0 1.00 0.32 0.22) = 0.776% T QD1 LEU 104 - HB3 LEU 80 14.286% * 0.2110% (0.21 1.0 10.00 0.02 0.02) = 0.211% QG2 VAL 41 - HB3 LEU 80 14.286% * 0.0134% (0.14 1.0 1.00 0.02 0.58) = 0.013% Peak 3365 (4.81, 1.44, 26.98 ppm): 20 chemical-shift based assignments, quality = 0.509, support = 4.1, residual support = 50.7: O HA LEU 80 - HG LEU 80 5.000% * 93.5233% (0.52 10.0 4.35 54.12) = 93.523% kept HA THR 23 - HG LEU 80 5.000% * 2.7272% (0.46 1.0 0.66 1.52) = 2.727% kept HB THR 23 - HG LEU 80 5.000% * 2.4544% (0.46 1.0 0.60 1.52) = 2.454% kept HA ASP- 78 - HG LEU 80 5.000% * 0.7292% (0.26 1.0 0.31 3.49) = 0.729% HA LEU 80 - HG LEU 40 5.000% * 0.0621% (0.34 1.0 0.02 0.02) = 0.062% HB THR 23 - HG LEU 40 5.000% * 0.0546% (0.30 1.0 0.02 0.02) = 0.055% HA THR 23 - HG LEU 40 5.000% * 0.0546% (0.30 1.0 0.02 0.02) = 0.055% HA ASP- 105 - HG LEU 80 5.000% * 0.0514% (0.29 1.0 0.02 0.02) = 0.051% HA LEU 80 - HG LEU 73 5.000% * 0.0439% (0.24 1.0 0.02 0.02) = 0.044% HB THR 23 - HG LEU 73 5.000% * 0.0386% (0.21 1.0 0.02 0.02) = 0.039% HA THR 23 - HG LEU 73 5.000% * 0.0386% (0.21 1.0 0.02 0.02) = 0.039% HA ASP- 105 - HG LEU 40 5.000% * 0.0341% (0.19 1.0 0.02 0.02) = 0.034% HA ASP- 78 - HG LEU 40 5.000% * 0.0311% (0.17 1.0 0.02 0.02) = 0.031% HA LEU 80 - HG12 ILE 19 5.000% * 0.0291% (0.16 1.0 0.02 0.02) = 0.029% HB THR 23 - HG12 ILE 19 5.000% * 0.0256% (0.14 1.0 0.02 0.02) = 0.026% HA THR 23 - HG12 ILE 19 5.000% * 0.0256% (0.14 1.0 0.02 0.02) = 0.026% HA ASP- 105 - HG LEU 73 5.000% * 0.0241% (0.13 1.0 0.02 0.02) = 0.024% HA ASP- 78 - HG LEU 73 5.000% * 0.0220% (0.12 1.0 0.02 0.02) = 0.022% HA ASP- 105 - HG12 ILE 19 5.000% * 0.0160% (0.09 1.0 0.02 0.02) = 0.016% HA ASP- 78 - HG12 ILE 19 5.000% * 0.0146% (0.08 1.0 0.02 0.02) = 0.015% Peak 3367 (8.96, 1.44, 26.98 ppm): 12 chemical-shift based assignments, quality = 0.22, support = 2.61, residual support = 50.9: HN LEU 73 - HG LEU 73 8.333% * 40.9155% (0.17 5.18 123.80) = 40.916% kept HN VAL 42 - HG LEU 40 8.333% * 16.4618% (0.24 1.47 0.84) = 16.462% kept HN LEU 73 - HG LEU 80 8.333% * 11.7525% (0.36 0.70 0.02) = 11.753% kept HN VAL 42 - HG LEU 80 8.333% * 8.7026% (0.36 0.52 0.02) = 8.703% kept HN LYS+ 106 - HG LEU 73 8.333% * 6.8379% (0.19 0.76 0.74) = 6.838% kept HN LYS+ 106 - HG12 ILE 19 8.333% * 4.4563% (0.13 0.75 0.02) = 4.456% kept HN VAL 42 - HG LEU 73 8.333% * 3.3302% (0.17 0.42 1.44) = 3.330% kept HN LYS+ 106 - HG LEU 40 8.333% * 3.0108% (0.27 0.24 0.02) = 3.011% kept HN VAL 42 - HG12 ILE 19 8.333% * 2.9487% (0.11 0.56 0.02) = 2.949% kept HN LEU 73 - HG12 ILE 19 8.333% * 0.9778% (0.11 0.19 5.71) = 0.978% HN LYS+ 106 - HG LEU 80 8.333% * 0.3824% (0.41 0.02 0.02) = 0.382% HN LEU 73 - HG LEU 40 8.333% * 0.2234% (0.24 0.02 0.02) = 0.223% Peak 3371 (1.72, 1.72, 37.34 ppm): 1 diagonal assignment: * HB3 LYS+ 99 - HB3 LYS+ 99 (1.00) kept Peak 3372 (4.39, 1.72, 37.34 ppm): 9 chemical-shift based assignments, quality = 0.67, support = 5.3, residual support = 138.0: O T HA LYS+ 99 - HB3 LYS+ 99 11.111% * 96.1070% (0.68 10.0 10.00 5.50 143.60) = 96.107% kept HA PRO 58 - HB3 LYS+ 99 11.111% * 1.8146% (0.35 1.0 1.00 0.72 0.02) = 1.815% kept T HA ILE 56 - HB3 LYS+ 99 11.111% * 1.2615% (0.89 1.0 10.00 0.02 0.02) = 1.261% kept T HA ASP- 113 - HB3 LYS+ 99 11.111% * 0.3936% (0.28 1.0 10.00 0.02 0.02) = 0.394% HA LEU 123 - HB3 LYS+ 99 11.111% * 0.1375% (0.97 1.0 1.00 0.02 0.02) = 0.138% HA ASN 35 - HB3 LYS+ 99 11.111% * 0.1210% (0.85 1.0 1.00 0.02 0.02) = 0.121% HA LEU 40 - HB3 LYS+ 99 11.111% * 0.0756% (0.53 1.0 1.00 0.02 4.82) = 0.076% HA GLU- 15 - HB3 LYS+ 99 11.111% * 0.0446% (0.31 1.0 1.00 0.02 0.02) = 0.045% HA SER 13 - HB3 LYS+ 99 11.111% * 0.0446% (0.31 1.0 1.00 0.02 0.02) = 0.045% Peak 3373 (8.35, 1.72, 37.34 ppm): 3 chemical-shift based assignments, quality = 0.183, support = 3.51, residual support = 142.8: O HN LYS+ 99 - HB3 LYS+ 99 33.333% * 99.4511% (0.18 10.0 3.53 143.60) = 99.451% kept HN ASN 35 - HB3 LYS+ 99 33.333% * 0.4171% (0.77 1.0 0.02 0.02) = 0.417% HN ALA 12 - HB3 LYS+ 99 33.333% * 0.1318% (0.24 1.0 0.02 0.02) = 0.132% Peak 3375 (0.62, 1.72, 37.34 ppm): 3 chemical-shift based assignments, quality = 0.406, support = 1.33, residual support = 7.13: QD1 LEU 104 - HB3 LYS+ 99 33.333% * 74.3192% (0.28 1.00 1.78 9.59) = 74.319% kept T QG2 ILE 89 - HB3 LYS+ 99 33.333% * 23.2281% (0.77 10.00 0.02 0.02) = 23.228% kept QG1 VAL 83 - HB3 LYS+ 99 33.333% * 2.4527% (0.81 1.00 0.02 0.02) = 2.453% kept Peak 3376 (1.00, 1.72, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.654, support = 0.945, residual support = 2.62: QD2 LEU 40 - HB3 LYS+ 99 16.667% * 51.3592% (0.68 1.29 4.82) = 51.359% kept QG2 ILE 103 - HB3 LYS+ 99 16.667% * 25.2394% (0.49 0.89 0.57) = 25.239% kept HB VAL 75 - HB3 LYS+ 99 16.667% * 13.1023% (0.92 0.24 0.02) = 13.102% kept QD1 LEU 67 - HB3 LYS+ 99 16.667% * 9.7257% (0.63 0.26 0.02) = 9.726% kept HG3 LYS+ 74 - HB3 LYS+ 99 16.667% * 0.4150% (0.35 0.02 0.02) = 0.415% QD1 ILE 119 - HB3 LYS+ 99 16.667% * 0.1584% (0.14 0.02 0.02) = 0.158% Peak 3377 (1.32, 1.72, 37.34 ppm): 9 chemical-shift based assignments, quality = 0.947, support = 4.71, residual support = 139.4: O HG2 LYS+ 99 - HB3 LYS+ 99 11.111% * 97.0481% (0.95 10.0 4.84 143.60) = 97.048% kept HG2 LYS+ 38 - HB3 LYS+ 99 11.111% * 1.3591% (1.00 1.0 0.27 0.73) = 1.359% kept QB ALA 88 - HB3 LYS+ 99 11.111% * 1.3399% (0.81 1.0 0.32 0.02) = 1.340% kept HG2 LYS+ 111 - HB3 LYS+ 99 11.111% * 0.0694% (0.68 1.0 0.02 0.02) = 0.069% HB2 LEU 31 - HB3 LYS+ 99 11.111% * 0.0595% (0.58 1.0 0.02 0.02) = 0.059% HB3 LEU 80 - HB3 LYS+ 99 11.111% * 0.0405% (0.40 1.0 0.02 0.10) = 0.041% QG2 THR 77 - HB3 LYS+ 99 11.111% * 0.0362% (0.35 1.0 0.02 0.02) = 0.036% HB2 LEU 63 - HB3 LYS+ 99 11.111% * 0.0284% (0.28 1.0 0.02 0.02) = 0.028% HB3 ASP- 44 - HB3 LYS+ 99 11.111% * 0.0188% (0.18 1.0 0.02 0.02) = 0.019% Peak 3378 (1.77, 4.38, 58.15 ppm): 4 chemical-shift based assignments, quality = 0.985, support = 6.84, residual support = 143.3: O T HB2 LYS+ 99 - HA LYS+ 99 25.000% * 99.7640% (0.99 10.0 10.00 6.85 143.60) = 99.764% kept QD LYS+ 81 - HA LYS+ 99 25.000% * 0.0982% (0.97 1.0 1.00 0.02 0.02) = 0.098% HB VAL 43 - HA LYS+ 99 25.000% * 0.0933% (0.92 1.0 1.00 0.02 0.02) = 0.093% HB3 GLN 17 - HA LYS+ 99 25.000% * 0.0445% (0.44 1.0 1.00 0.02 0.02) = 0.045% Peak 3379 (1.72, 1.24, 26.01 ppm): 15 chemical-shift based assignments, quality = 0.747, support = 4.68, residual support = 148.8: O HB3 LYS+ 99 - HG3 LYS+ 99 6.667% * 69.3052% (0.99 10.0 1.00 4.56 143.60) = 69.305% kept O T QD LYS+ 99 - HG3 LYS+ 99 6.667% * 14.9173% (0.21 10.0 10.00 5.22 143.60) = 14.917% kept O T HB ILE 89 - HG12 ILE 89 6.667% * 14.8575% (0.21 10.0 10.00 5.00 187.71) = 14.858% kept T HB ILE 89 - HG3 LYS+ 99 6.667% * 0.5417% (0.77 1.0 10.00 0.02 0.02) = 0.542% T QD LYS+ 106 - HG3 LYS+ 99 6.667% * 0.1292% (0.18 1.0 10.00 0.02 0.02) = 0.129% QG1 ILE 56 - HG3 LYS+ 99 6.667% * 0.0648% (0.92 1.0 1.00 0.02 0.02) = 0.065% T QG1 ILE 56 - HG3 LYS+ 38 6.667% * 0.0439% (0.06 1.0 10.00 0.02 0.02) = 0.044% T QD LYS+ 99 - HG12 ILE 89 6.667% * 0.0409% (0.06 1.0 10.00 0.02 0.02) = 0.041% T QD LYS+ 106 - HG12 ILE 89 6.667% * 0.0354% (0.05 1.0 10.00 0.02 0.02) = 0.035% HB3 LYS+ 99 - HG12 ILE 89 6.667% * 0.0190% (0.27 1.0 1.00 0.02 0.02) = 0.019% QG1 ILE 56 - HG12 ILE 89 6.667% * 0.0178% (0.25 1.0 1.00 0.02 0.02) = 0.018% T QD LYS+ 99 - HG3 LYS+ 38 6.667% * 0.0101% (0.01 1.0 10.00 0.02 0.73) = 0.010% T QD LYS+ 106 - HG3 LYS+ 38 6.667% * 0.0088% (0.01 1.0 10.00 0.02 0.02) = 0.009% HB3 LYS+ 99 - HG3 LYS+ 38 6.667% * 0.0047% (0.07 1.0 1.00 0.02 0.73) = 0.005% HB ILE 89 - HG3 LYS+ 38 6.667% * 0.0037% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 3380 (1.77, 1.24, 26.01 ppm): 12 chemical-shift based assignments, quality = 0.981, support = 6.08, residual support = 142.7: O T HB2 LYS+ 99 - HG3 LYS+ 99 8.333% * 99.3448% (0.99 10.0 10.00 6.12 143.60) = 99.345% kept T HB2 LYS+ 99 - HG12 ILE 89 8.333% * 0.2725% (0.27 1.0 10.00 0.02 0.02) = 0.272% QD LYS+ 81 - HG3 LYS+ 99 8.333% * 0.0978% (0.97 1.0 1.00 0.02 0.02) = 0.098% HB VAL 43 - HG3 LYS+ 99 8.333% * 0.0929% (0.92 1.0 1.00 0.02 0.02) = 0.093% T HB2 LYS+ 99 - HG3 LYS+ 38 8.333% * 0.0674% (0.07 1.0 10.00 0.02 0.73) = 0.067% HB3 GLN 17 - HG3 LYS+ 99 8.333% * 0.0444% (0.44 1.0 1.00 0.02 0.02) = 0.044% QD LYS+ 81 - HG12 ILE 89 8.333% * 0.0268% (0.27 1.0 1.00 0.02 0.02) = 0.027% HB VAL 43 - HG12 ILE 89 8.333% * 0.0255% (0.25 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 17 - HG12 ILE 89 8.333% * 0.0122% (0.12 1.0 1.00 0.02 0.02) = 0.012% QD LYS+ 81 - HG3 LYS+ 38 8.333% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB VAL 43 - HG3 LYS+ 38 8.333% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - HG3 LYS+ 38 8.333% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 3381 (4.01, 2.50, 34.75 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.63, residual support = 86.0: * O HA GLN 116 - HG3 GLN 116 14.286% * 99.6146% (1.00 10.0 4.65 86.36) = 99.615% kept HA VAL 70 - HG3 GLN 116 14.286% * 0.0996% (1.00 1.0 0.02 0.02) = 0.100% HA LYS+ 33 - HG3 GLN 116 14.286% * 0.0812% (0.81 1.0 0.02 0.02) = 0.081% HA GLU- 29 - HG3 GLN 116 14.286% * 0.0628% (0.63 1.0 0.02 0.02) = 0.063% HA VAL 18 - HG3 GLN 116 14.286% * 0.0580% (0.58 1.0 0.02 0.02) = 0.058% HB2 SER 82 - HG3 GLN 116 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.048% HB2 SER 37 - HG3 GLN 116 14.286% * 0.0353% (0.35 1.0 0.02 0.02) = 0.035% Peak 3382 (2.37, 2.50, 34.75 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 4.62, residual support = 83.3: O HB2 GLN 116 - HG3 GLN 116 16.667% * 96.4058% (0.97 10.0 4.77 86.36) = 96.406% kept HB2 GLU- 100 - HG3 GLN 116 16.667% * 2.8415% (1.00 1.0 0.57 0.02) = 2.842% kept HB3 PHE 97 - HG3 GLN 116 16.667% * 0.6619% (0.85 1.0 0.16 0.02) = 0.662% QG GLU- 79 - HG3 GLN 116 16.667% * 0.0437% (0.44 1.0 0.02 0.02) = 0.044% HB2 PRO 58 - HG3 GLN 116 16.667% * 0.0313% (0.31 1.0 0.02 0.02) = 0.031% QG GLN 32 - HG3 GLN 116 16.667% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% Peak 3383 (0.60, 2.50, 34.75 ppm): 6 chemical-shift based assignments, quality = 0.866, support = 3.58, residual support = 41.6: QD2 LEU 115 - HG3 GLN 116 16.667% * 68.0488% (0.95 4.75 60.56) = 68.049% kept QD1 LEU 63 - HG3 GLN 116 16.667% * 12.2823% (0.58 1.40 1.87) = 12.282% kept QD1 LEU 73 - HG3 GLN 116 16.667% * 10.6447% (0.58 1.21 1.43) = 10.645% kept QD2 LEU 80 - HG3 GLN 116 16.667% * 7.7325% (0.97 0.53 0.15) = 7.733% kept QD1 LEU 104 - HG3 GLN 116 16.667% * 1.1450% (0.97 0.08 0.02) = 1.145% kept QG1 VAL 83 - HG3 GLN 116 16.667% * 0.1467% (0.49 0.02 0.02) = 0.147% Peak 3384 (2.55, 2.50, 34.75 ppm): 2 chemical-shift based assignments, quality = 0.971, support = 4.59, residual support = 85.0: O HG2 GLN 116 - HG3 GLN 116 50.000% * 98.4138% (0.97 10.0 4.66 86.36) = 98.414% kept HB3 PHE 95 - HG3 GLN 116 50.000% * 1.5862% (0.92 1.0 0.34 0.12) = 1.586% kept Peak 3385 (2.50, 2.50, 34.75 ppm): 1 diagonal assignment: * HG3 GLN 116 - HG3 GLN 116 (1.00) kept Peak 3386 (7.40, 2.50, 34.75 ppm): 4 chemical-shift based assignments, quality = 0.576, support = 3.99, residual support = 85.4: O HE21 GLN 116 - HG3 GLN 116 25.000% * 98.9287% (0.58 10.0 4.03 86.36) = 98.929% kept HE21 GLN 90 - HG3 GLN 116 25.000% * 0.9247% (0.95 1.0 0.11 0.02) = 0.925% HN ALA 57 - HG3 GLN 116 25.000% * 0.1154% (0.68 1.0 0.02 0.02) = 0.115% HN ALA 120 - HG3 GLN 116 25.000% * 0.0313% (0.18 1.0 0.02 0.02) = 0.031% Peak 3387 (8.19, 2.50, 34.75 ppm): 4 chemical-shift based assignments, quality = 0.681, support = 4.92, residual support = 61.0: HN GLN 116 - HG3 GLN 116 25.000% * 70.4091% (0.58 6.54 86.36) = 70.409% kept HN THR 118 - HG3 GLN 116 25.000% * 21.5486% (0.89 1.31 0.82) = 21.549% kept HN PHE 60 - HG3 GLN 116 25.000% * 7.9111% (1.00 0.43 0.12) = 7.911% kept HN GLU- 15 - HG3 GLN 116 25.000% * 0.1311% (0.35 0.02 0.02) = 0.131% Peak 3388 (1.33, 1.24, 26.01 ppm): 30 chemical-shift based assignments, quality = 0.898, support = 4.93, residual support = 116.4: O T HG2 LYS+ 99 - HG3 LYS+ 99 3.333% * 74.4624% (1.00 10.0 10.00 5.99 143.60) = 74.462% kept T HG2 LYS+ 38 - HG3 LYS+ 99 3.333% * 15.6745% (0.95 1.0 10.00 0.44 0.73) = 15.674% kept O T HG2 LYS+ 38 - HG3 LYS+ 38 3.333% * 4.8119% (0.06 10.0 10.00 6.62 192.34) = 4.812% kept QB ALA 88 - HG12 ILE 89 3.333% * 2.2270% (0.16 1.0 1.00 3.73 4.55) = 2.227% kept QB ALA 88 - HG3 LYS+ 99 3.333% * 0.9966% (0.58 1.0 1.00 0.46 0.02) = 0.997% T HG2 LYS+ 111 - HG3 LYS+ 99 3.333% * 0.6657% (0.89 1.0 10.00 0.02 0.02) = 0.666% T HG2 LYS+ 99 - HG3 LYS+ 38 3.333% * 0.6102% (0.07 1.0 10.00 0.24 0.73) = 0.610% T HG2 LYS+ 111 - HG12 ILE 89 3.333% * 0.1826% (0.24 1.0 10.00 0.02 0.61) = 0.183% HB2 LEU 31 - HG3 LYS+ 99 3.333% * 0.0609% (0.81 1.0 1.00 0.02 0.02) = 0.061% QB ALA 88 - HG3 LYS+ 38 3.333% * 0.0557% (0.04 1.0 1.00 0.38 0.02) = 0.056% HB3 LEU 80 - HG3 LYS+ 99 3.333% * 0.0471% (0.63 1.0 1.00 0.02 0.10) = 0.047% HB2 LEU 63 - HG3 LYS+ 99 3.333% * 0.0364% (0.49 1.0 1.00 0.02 0.02) = 0.036% HB3 ASP- 44 - HG3 LYS+ 99 3.333% * 0.0265% (0.35 1.0 1.00 0.02 0.02) = 0.026% HG2 LYS+ 99 - HG12 ILE 89 3.333% * 0.0204% (0.27 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 38 - HG12 ILE 89 3.333% * 0.0195% (0.26 1.0 1.00 0.02 0.02) = 0.019% HB2 LEU 31 - HG12 ILE 89 3.333% * 0.0167% (0.22 1.0 1.00 0.02 0.02) = 0.017% QB ALA 124 - HG3 LYS+ 99 3.333% * 0.0159% (0.21 1.0 1.00 0.02 0.02) = 0.016% QG2 THR 77 - HG3 LYS+ 99 3.333% * 0.0137% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB3 LEU 80 - HG12 ILE 89 3.333% * 0.0129% (0.17 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 63 - HG12 ILE 89 3.333% * 0.0100% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 44 - HG12 ILE 89 3.333% * 0.0073% (0.10 1.0 1.00 0.02 0.33) = 0.007% HG2 LYS+ 111 - HG3 LYS+ 38 3.333% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.005% QB ALA 124 - HG12 ILE 89 3.333% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 31 - HG3 LYS+ 38 3.333% * 0.0041% (0.06 1.0 1.00 0.02 0.02) = 0.004% QG2 THR 77 - HG12 ILE 89 3.333% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 80 - HG3 LYS+ 38 3.333% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 63 - HG3 LYS+ 38 3.333% * 0.0025% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 ASP- 44 - HG3 LYS+ 38 3.333% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 124 - HG3 LYS+ 38 3.333% * 0.0011% (0.01 1.0 1.00 0.02 0.02) = 0.001% QG2 THR 77 - HG3 LYS+ 38 3.333% * 0.0009% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peaks: selected : 2699 with diagonal assignment : 461 without assignment possibility : 23 with one assignment possibility : 154 with multiple assignment possibilities : 2061 with given assignment possibilities : 0 with unique volume contribution : 824 with multiple volume contributions : 1391 eliminated by violation filter : 0 Peaks: selected : 2699 without assignment : 133 with assignment : 2566 with unique assignment : 1140 with multiple assignment : 1426 with reference assignment : 1605 with identical reference assignment : 857 with compatible reference assignment : 744 with incompatible reference assignment : 4 with additional reference assignment : 0 with additional assignment : 961 Atoms with eliminated volume contribution > 2.5: HA HIS 22 3.0 QG2 THR 26 2.6 QD2 LEU 40 2.6 QG2 VAL 41 3.0 QB ALA 84 4.0 QG2 ILE 89 3.6 HA LYS+ 106 3.0 QE LYS+ 112 3.0 Peak 2 (6.75, 6.75, 114.38 ppm): 1 diagonal assignment: * HZ2 TRP 27 - HZ2 TRP 27 (1.00) kept Peak 3 (7.49, 7.49, 115.54 ppm): 1 diagonal assignment: * HZ2 TRP 49 - HZ2 TRP 49 (1.00) kept Peak 4 (7.61, 7.61, 114.70 ppm): 2 diagonal assignments: * HZ2 TRP 87 - HZ2 TRP 87 (1.00) kept HN ILE 56 - HN ILE 56 (0.00) kept Peak 5 (7.18, 7.18, 125.21 ppm): 1 diagonal assignment: * HH2 TRP 49 - HH2 TRP 49 (1.00) kept Peak 6 (7.23, 7.23, 124.80 ppm): 1 diagonal assignment: * HH2 TRP 87 - HH2 TRP 87 (1.00) kept Peak 7 (7.71, 7.71, 120.66 ppm): 1 diagonal assignment: * HE3 TRP 87 - HE3 TRP 87 (1.00) kept Peak 8 (6.38, 6.38, 129.17 ppm): 1 diagonal assignment: * HZ PHE 45 - HZ PHE 45 (1.00) kept Peak 9 (6.69, 6.69, 132.41 ppm): 1 diagonal assignment: * QD PHE 72 - QD PHE 72 (1.00) kept Peak 10 (6.68, 6.68, 130.18 ppm): 1 diagonal assignment: * QE PHE 45 - QE PHE 45 (1.00) kept Peak 11 (6.71, 6.71, 127.90 ppm): 1 diagonal assignment: * HZ PHE 72 - HZ PHE 72 (1.00) kept Peak 12 (6.88, 6.88, 128.47 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 13 (7.26, 7.26, 128.86 ppm): 1 diagonal assignment: * QE PHE 59 - QE PHE 59 (1.00) kept Peak 14 (7.75, 7.75, 128.42 ppm): 1 diagonal assignment: * HD1 TRP 87 - HD1 TRP 87 (1.00) kept Peak 15 (7.19, 7.19, 127.61 ppm): 1 diagonal assignment: * HD1 TRP 27 - HD1 TRP 27 (1.00) kept Peak 16 (7.35, 7.35, 128.88 ppm): 1 diagonal assignment: * HD1 TRP 49 - HD1 TRP 49 (1.00) kept Peak 17 (7.63, 7.63, 131.92 ppm): 1 diagonal assignment: * QE PHE 60 - QE PHE 60 (1.00) kept Peak 18 (7.02, 7.02, 132.19 ppm): 1 diagonal assignment: * QD PHE 95 - QD PHE 95 (1.00) kept Peak 19 (6.86, 6.86, 131.77 ppm): 1 diagonal assignment: * QD PHE 45 - QD PHE 45 (1.00) kept Peak 20 (6.85, 6.85, 130.68 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 21 (6.99, 6.99, 130.46 ppm): 1 diagonal assignment: * QE PHE 72 - QE PHE 72 (1.00) kept Peak 22 (8.33, 8.33, 138.33 ppm): 1 diagonal assignment: * HE1 HIS 122 - HE1 HIS 122 (1.00) kept Peak 23 (8.58, 8.58, 136.90 ppm): 1 diagonal assignment: * HE1 HIS 22 - HE1 HIS 22 (1.00) kept Peak 24 (6.83, 6.83, 120.22 ppm): 1 diagonal assignment: * HD2 HIS 122 - HD2 HIS 122 (1.00) kept Peak 25 (7.11, 7.11, 121.95 ppm): 1 diagonal assignment: * HE3 TRP 49 - HE3 TRP 49 (1.00) kept Peak 26 (7.36, 7.36, 120.68 ppm): 1 diagonal assignment: * HD2 HIS 22 - HD2 HIS 22 (1.00) kept Peak 27 (7.12, 7.12, 119.95 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 28 (7.17, 7.17, 120.01 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 29 (7.31, 7.32, 120.14 ppm): 1 diagonal assignment: * HE3 TRP 27 - HE3 TRP 27 (0.67) kept Peak 30 (7.13, 7.13, 131.79 ppm): 1 diagonal assignment: * QD PHE 97 - QD PHE 97 (1.00) kept Peak 31 (7.32, 7.32, 132.31 ppm): 1 diagonal assignment: * QD PHE 55 - QD PHE 55 (1.00) kept Peak 32 (7.29, 7.29, 132.36 ppm): 1 diagonal assignment: * QD PHE 60 - QD PHE 60 (1.00) kept Peak 33 (7.33, 7.33, 130.29 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 34 (7.39, 7.39, 131.00 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 35 (7.38, 7.41, 131.81 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 36 (6.31, 6.31, 122.21 ppm): 1 diagonal assignment: * HH2 TRP 27 - HH2 TRP 27 (1.00) kept Peak 37 (3.92, 7.29, 132.36 ppm): 6 chemical-shift based assignments, quality = 0.808, support = 3.59, residual support = 56.3: T HA PHE 60 - QD PHE 60 16.667% * 93.1182% (0.81 10.00 3.84 60.43) = 93.118% kept T QB SER 117 - QD PHE 60 16.667% * 5.0855% (0.85 10.00 0.10 0.02) = 5.086% kept HA LYS+ 121 - QD PHE 60 16.667% * 1.4161% (0.44 1.00 0.56 0.76) = 1.416% kept T QB SER 48 - QD PHE 60 16.667% * 0.2787% (0.24 10.00 0.02 0.02) = 0.279% HA2 GLY 51 - QD PHE 60 16.667% * 0.0610% (0.53 1.00 0.02 0.02) = 0.061% HB THR 94 - QD PHE 60 16.667% * 0.0405% (0.35 1.00 0.02 0.02) = 0.041% Peak 38 (7.19, 7.19, 131.79 ppm): 1 diagonal assignment: * QD PHE 59 - QD PHE 59 (1.00) kept Peak 40 (6.35, 6.35, 121.95 ppm): 1 diagonal assignment: * HZ3 TRP 27 - HZ3 TRP 27 (1.00) kept Peak 43 (7.13, 7.13, 121.44 ppm): 1 diagonal assignment: * HZ3 TRP 87 - HZ3 TRP 87 (1.00) kept Peak 44 (7.70, 7.13, 121.44 ppm): 6 chemical-shift based assignments, quality = 0.562, support = 1.2, residual support = 62.7: O HE3 TRP 87 - HZ3 TRP 87 16.667% * 83.5775% (0.58 10.0 1.03 63.60) = 83.577% kept HN TRP 87 - HZ3 TRP 87 16.667% * 15.0497% (0.49 1.0 2.23 63.60) = 15.050% kept HN ALA 61 - HZ3 TRP 87 16.667% * 1.0107% (0.24 1.0 0.30 0.21) = 1.011% kept HN GLN 17 - HZ3 TRP 87 16.667% * 0.1886% (0.68 1.0 0.02 0.02) = 0.189% HD21 ASN 69 - HZ3 TRP 87 16.667% * 0.1224% (0.44 1.0 0.02 0.02) = 0.122% HN ALA 91 - HZ3 TRP 87 16.667% * 0.0511% (0.18 1.0 0.02 0.02) = 0.051% Peak 45 (7.33, 7.33, 131.79 ppm): 1 diagonal assignment: * QE PHE 95 - QE PHE 95 (1.00) kept Peak 46 (4.73, 8.58, 136.90 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 0.75, residual support = 1.74: HA PRO 68 - HE1 HIS 22 100.000% *100.0000% (0.97 0.75 1.74) = 100.000% kept Peak 47 (1.15, 8.58, 136.90 ppm): 6 chemical-shift based assignments, quality = 0.763, support = 0.629, residual support = 1.05: QB ALA 20 - HE1 HIS 22 16.667% * 42.5333% (0.68 0.97 2.33) = 42.533% kept QG2 VAL 107 - HE1 HIS 22 16.667% * 23.5604% (0.92 0.40 0.22) = 23.560% kept HG2 LYS+ 121 - HE1 HIS 22 16.667% * 20.9968% (1.00 0.33 0.02) = 20.997% kept HG13 ILE 103 - HE1 HIS 22 16.667% * 11.4968% (0.40 0.45 0.02) = 11.497% kept HG13 ILE 119 - HE1 HIS 22 16.667% * 1.2384% (0.16 0.12 0.02) = 1.238% kept HB3 LEU 31 - HE1 HIS 22 16.667% * 0.1743% (0.14 0.02 0.02) = 0.174% Peak 48 (8.78, 7.19, 127.61 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 2.18, residual support = 1.89: HN GLU- 25 - HD1 TRP 27 50.000% * 95.4746% (0.99 2.28 1.98) = 95.475% kept HN ASP- 44 - HD1 TRP 27 50.000% * 4.5254% (0.97 0.11 0.02) = 4.525% kept Peak 49 (10.20, 7.19, 127.61 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 1.9, residual support = 89.4: O HE1 TRP 27 - HD1 TRP 27 100.000% *100.0000% (0.89 10.0 1.90 89.43) = 100.000% kept Peak 50 (6.35, 7.32, 120.14 ppm): 2 chemical-shift based assignments, quality = 0.844, support = 1.29, residual support = 89.4: O HZ3 TRP 27 - HE3 TRP 27 50.000% * 99.9850% (0.84 10.0 1.29 89.43) = 99.985% kept HZ3 TRP 27 - HN LEU 67 50.000% * 0.0150% (0.08 1.0 0.02 0.02) = 0.015% Peak 51 (4.49, 7.32, 120.14 ppm): 8 chemical-shift based assignments, quality = 0.921, support = 3.62, residual support = 87.8: HA TRP 27 - HE3 TRP 27 12.500% * 98.2083% (0.94 3.69 89.43) = 98.208% kept HA ALA 91 - HE3 TRP 27 12.500% * 0.5530% (0.97 0.02 0.02) = 0.553% HA VAL 107 - HE3 TRP 27 12.500% * 0.4991% (0.88 0.02 0.33) = 0.499% HA TRP 27 - HN LEU 67 12.500% * 0.4873% (0.09 0.19 0.02) = 0.487% HA PRO 52 - HE3 TRP 27 12.500% * 0.1366% (0.24 0.02 0.02) = 0.137% HA ALA 91 - HN LEU 67 12.500% * 0.0538% (0.09 0.02 0.02) = 0.054% HA VAL 107 - HN LEU 67 12.500% * 0.0486% (0.09 0.02 0.02) = 0.049% HA PRO 52 - HN LEU 67 12.500% * 0.0133% (0.02 0.02 0.02) = 0.013% Peak 52 (3.02, 7.32, 120.14 ppm): 6 chemical-shift based assignments, quality = 0.919, support = 0.305, residual support = 0.492: QE LYS+ 102 - HE3 TRP 27 16.667% * 88.9091% (0.94 0.34 0.33) = 88.909% kept QE LYS+ 38 - HE3 TRP 27 16.667% * 5.4138% (0.97 0.02 3.63) = 5.414% kept QE LYS+ 99 - HE3 TRP 27 16.667% * 4.2315% (0.76 0.02 0.02) = 4.231% kept QE LYS+ 38 - HN LEU 67 16.667% * 0.5268% (0.09 0.02 0.02) = 0.527% QE LYS+ 102 - HN LEU 67 16.667% * 0.5070% (0.09 0.02 0.02) = 0.507% QE LYS+ 99 - HN LEU 67 16.667% * 0.4118% (0.07 0.02 0.02) = 0.412% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 53 (0.76, 7.32, 120.14 ppm): 16 chemical-shift based assignments, quality = 0.872, support = 1.4, residual support = 2.56: QG1 VAL 43 - HE3 TRP 27 6.250% * 40.4027% (0.99 1.69 3.01) = 40.403% kept QG1 VAL 41 - HE3 TRP 27 6.250% * 33.5105% (0.91 1.52 0.88) = 33.510% kept QG2 VAL 18 - HE3 TRP 27 6.250% * 16.4745% (0.88 0.78 0.34) = 16.474% kept HG LEU 31 - HE3 TRP 27 6.250% * 6.7598% (0.27 1.02 13.94) = 6.760% kept QD2 LEU 104 - HE3 TRP 27 6.250% * 2.0267% (0.21 0.40 2.42) = 2.027% kept QG2 THR 46 - HE3 TRP 27 6.250% * 0.3681% (0.76 0.02 0.02) = 0.368% QD1 ILE 19 - HE3 TRP 27 6.250% * 0.1692% (0.35 0.02 0.02) = 0.169% QD2 LEU 73 - HE3 TRP 27 6.250% * 0.0755% (0.16 0.02 2.08) = 0.076% QG1 VAL 43 - HN LEU 67 6.250% * 0.0464% (0.10 0.02 0.02) = 0.046% QG1 VAL 41 - HN LEU 67 6.250% * 0.0429% (0.09 0.02 0.02) = 0.043% QG2 VAL 18 - HN LEU 67 6.250% * 0.0414% (0.09 0.02 0.02) = 0.041% QG2 THR 46 - HN LEU 67 6.250% * 0.0358% (0.07 0.02 0.02) = 0.036% QD1 ILE 19 - HN LEU 67 6.250% * 0.0165% (0.03 0.02 0.02) = 0.016% HG LEU 31 - HN LEU 67 6.250% * 0.0129% (0.03 0.02 0.02) = 0.013% QD2 LEU 104 - HN LEU 67 6.250% * 0.0099% (0.02 0.02 0.02) = 0.010% QD2 LEU 73 - HN LEU 67 6.250% * 0.0073% (0.02 0.02 0.02) = 0.007% Peak 54 (0.60, 7.32, 120.14 ppm): 14 chemical-shift based assignments, quality = 0.629, support = 3.22, residual support = 5.31: QD2 LEU 115 - HE3 TRP 27 7.143% * 39.6465% (0.62 4.66 7.42) = 39.646% kept QD2 LEU 80 - HE3 TRP 27 7.143% * 27.6363% (0.67 3.02 5.44) = 27.636% kept QD1 LEU 104 - HE3 TRP 27 7.143% * 15.9928% (0.91 1.28 2.42) = 15.993% kept QD1 LEU 63 - HE3 TRP 27 7.143% * 7.8276% (0.24 2.38 3.87) = 7.828% kept QD1 LEU 73 - HE3 TRP 27 7.143% * 6.9138% (0.24 2.10 2.08) = 6.914% kept QG1 VAL 83 - HE3 TRP 27 7.143% * 1.8423% (0.84 0.16 1.56) = 1.842% kept QG2 ILE 89 - HE3 TRP 27 7.143% * 0.0427% (0.16 0.02 0.73) = 0.043% QD1 LEU 104 - HN LEU 67 7.143% * 0.0242% (0.09 0.02 0.02) = 0.024% QG1 VAL 83 - HN LEU 67 7.143% * 0.0224% (0.08 0.02 0.02) = 0.022% QD2 LEU 80 - HN LEU 67 7.143% * 0.0178% (0.07 0.02 0.02) = 0.018% QD2 LEU 115 - HN LEU 67 7.143% * 0.0166% (0.06 0.02 0.02) = 0.017% QD1 LEU 63 - HN LEU 67 7.143% * 0.0064% (0.02 0.02 0.02) = 0.006% QD1 LEU 73 - HN LEU 67 7.143% * 0.0064% (0.02 0.02 0.02) = 0.006% QG2 ILE 89 - HN LEU 67 7.143% * 0.0042% (0.02 0.02 0.02) = 0.004% Peak 55 (0.12, 7.32, 120.14 ppm): 4 chemical-shift based assignments, quality = 0.522, support = 1.5, residual support = 1.88: QG2 VAL 42 - HE3 TRP 27 25.000% * 53.0811% (0.44 1.83 1.64) = 53.081% kept QG2 VAL 75 - HE3 TRP 27 25.000% * 46.7814% (0.62 1.13 2.17) = 46.781% kept QG2 VAL 75 - HN LEU 67 25.000% * 0.0809% (0.06 0.02 0.02) = 0.081% QG2 VAL 42 - HN LEU 67 25.000% * 0.0566% (0.04 0.02 0.02) = 0.057% Peak 56 (3.48, 7.36, 120.68 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 2.61, residual support = 33.1: O T HB2 HIS 22 - HD2 HIS 22 50.000% * 99.9555% (0.89 10.0 10.00 2.61 33.07) = 99.956% kept HA LEU 63 - HD2 HIS 22 50.000% * 0.0445% (0.40 1.0 1.00 0.02 0.39) = 0.044% Peak 57 (3.25, 7.36, 120.68 ppm): 2 chemical-shift based assignments, quality = 0.314, support = 3.06, residual support = 33.0: O T HB3 HIS 22 - HD2 HIS 22 50.000% * 99.7700% (0.31 10.0 10.00 3.07 33.07) = 99.770% kept HD3 ARG+ 54 - HD2 HIS 22 50.000% * 0.2300% (0.73 1.0 1.00 0.02 0.02) = 0.230% Peak 58 (2.79, 7.36, 120.68 ppm): 4 chemical-shift based assignments, quality = 0.798, support = 0.717, residual support = 0.827: QB CYS 50 - HD2 HIS 22 25.000% * 85.0508% (0.85 0.81 0.97) = 85.051% kept HB3 ASN 69 - HD2 HIS 22 25.000% * 11.5618% (0.40 0.24 0.02) = 11.562% kept QE LYS+ 74 - HD2 HIS 22 25.000% * 2.1908% (0.89 0.02 0.02) = 2.191% kept HB3 ASP- 78 - HD2 HIS 22 25.000% * 1.1966% (0.49 0.02 0.02) = 1.197% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 59 (1.16, 7.36, 120.68 ppm): 4 chemical-shift based assignments, quality = 0.304, support = 1.34, residual support = 1.82: T QB ALA 20 - HD2 HIS 22 25.000% * 76.9243% (0.16 10.00 1.64 2.33) = 76.924% kept QG2 VAL 107 - HD2 HIS 22 25.000% * 9.5866% (0.81 1.00 0.40 0.22) = 9.587% kept HG13 ILE 103 - HD2 HIS 22 25.000% * 7.6138% (0.95 1.00 0.27 0.02) = 7.614% kept HG2 LYS+ 121 - HD2 HIS 22 25.000% * 5.8753% (0.53 1.00 0.37 0.02) = 5.875% kept Peak 60 (4.74, 7.36, 120.68 ppm): 1 chemical-shift based assignment, quality = 0.441, support = 0.994, residual support = 1.74: HA PRO 68 - HD2 HIS 22 100.000% *100.0000% (0.44 0.99 1.74) = 100.000% kept Peak 61 (4.58, 7.36, 120.68 ppm): 6 chemical-shift based assignments, quality = 0.928, support = 2.19, residual support = 3.63: HA CYS 21 - HD2 HIS 22 16.667% * 57.0060% (0.92 3.06 5.70) = 57.006% kept HA CYS 50 - HD2 HIS 22 16.667% * 22.0846% (0.92 1.19 0.97) = 22.085% kept HA TRP 49 - HD2 HIS 22 16.667% * 18.9308% (1.00 0.94 0.86) = 18.931% kept HA LYS+ 102 - HD2 HIS 22 16.667% * 1.5320% (0.53 0.14 0.02) = 1.532% kept HA1 GLY 109 - HD2 HIS 22 16.667% * 0.3829% (0.95 0.02 0.02) = 0.383% HA ALA 47 - HD2 HIS 22 16.667% * 0.0638% (0.16 0.02 0.02) = 0.064% Peak 62 (4.13, 7.19, 127.61 ppm): 8 chemical-shift based assignments, quality = 0.89, support = 2.51, residual support = 28.3: HA ASN 28 - HD1 TRP 27 12.500% * 65.9436% (1.00 3.17 38.50) = 65.944% kept HA LEU 115 - HD1 TRP 27 12.500% * 19.7594% (0.99 0.96 7.42) = 19.759% kept HA THR 26 - HD1 TRP 27 12.500% * 8.1214% (0.16 2.46 18.11) = 8.121% kept HA GLU- 114 - HD1 TRP 27 12.500% * 5.0948% (0.49 0.50 0.02) = 5.095% kept HA ALA 34 - HD1 TRP 27 12.500% * 0.3714% (0.89 0.02 0.02) = 0.371% HA1 GLY 101 - HD1 TRP 27 12.500% * 0.2830% (0.68 0.02 0.02) = 0.283% HA ARG+ 54 - HD1 TRP 27 12.500% * 0.2427% (0.58 0.02 0.02) = 0.243% HA ALA 124 - HD1 TRP 27 12.500% * 0.1837% (0.44 0.02 0.02) = 0.184% Peak 63 (3.77, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.929, support = 4.91, residual support = 14.0: HA VAL 24 - HD1 TRP 27 33.333% * 83.7658% (1.00 5.51 16.05) = 83.766% kept HA LYS+ 38 - HD1 TRP 27 33.333% * 16.1694% (0.58 1.82 3.63) = 16.169% kept HD2 PRO 68 - HD1 TRP 27 33.333% * 0.0648% (0.21 0.02 0.02) = 0.065% Peak 64 (3.58, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.533, support = 3.66, residual support = 89.2: O T HB2 TRP 27 - HD1 TRP 27 33.333% * 99.7279% (0.53 10.0 10.00 3.67 89.43) = 99.728% kept HA THR 77 - HD1 TRP 27 33.333% * 0.1724% (0.92 1.0 1.00 0.02 0.02) = 0.172% HD2 PRO 93 - HD1 TRP 27 33.333% * 0.0997% (0.53 1.0 1.00 0.02 0.02) = 0.100% Peak 65 (2.98, 7.19, 127.61 ppm): 4 chemical-shift based assignments, quality = 0.634, support = 3.74, residual support = 88.0: O T HB3 TRP 27 - HD1 TRP 27 25.000% * 98.3567% (0.63 10.0 10.00 3.80 89.43) = 98.357% kept QE LYS+ 106 - HD1 TRP 27 25.000% * 1.3984% (1.00 1.0 1.00 0.18 0.02) = 1.398% kept HB3 PHE 60 - HD1 TRP 27 25.000% * 0.1390% (0.89 1.0 1.00 0.02 0.02) = 0.139% HB2 PHE 97 - HD1 TRP 27 25.000% * 0.1059% (0.68 1.0 1.00 0.02 0.02) = 0.106% Peak 66 (1.08, 7.19, 127.61 ppm): 4 chemical-shift based assignments, quality = 0.546, support = 1.36, residual support = 5.98: T QG1 VAL 107 - HD1 TRP 27 25.000% * 58.5189% (0.53 10.00 0.71 0.33) = 58.519% kept QG2 VAL 24 - HD1 TRP 27 25.000% * 27.3831% (0.68 1.00 2.60 16.05) = 27.383% kept HG LEU 63 - HD1 TRP 27 25.000% * 7.1424% (0.49 1.00 0.95 3.87) = 7.142% kept QG1 VAL 24 - HD1 TRP 27 25.000% * 6.9556% (0.18 1.00 2.44 16.05) = 6.956% kept Peak 67 (0.60, 7.19, 127.61 ppm): 6 chemical-shift based assignments, quality = 0.762, support = 2.86, residual support = 4.9: QD2 LEU 115 - HD1 TRP 27 16.667% * 37.3423% (0.77 4.51 7.42) = 37.342% kept QD2 LEU 80 - HD1 TRP 27 16.667% * 20.3442% (0.81 2.33 5.44) = 20.344% kept QD1 LEU 104 - HD1 TRP 27 16.667% * 19.1721% (0.99 1.81 2.42) = 19.172% kept QG1 VAL 83 - HD1 TRP 27 16.667% * 9.9058% (0.73 1.27 1.56) = 9.906% kept QD1 LEU 63 - HD1 TRP 27 16.667% * 6.9933% (0.35 1.84 3.87) = 6.993% kept QD1 LEU 73 - HD1 TRP 27 16.667% * 6.2423% (0.35 1.64 2.08) = 6.242% kept Peak 68 (0.08, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.822, support = 1.09, residual support = 7.05: QG2 VAL 83 - HD1 TRP 27 33.333% * 46.7659% (1.00 0.93 1.56) = 46.766% kept QD2 LEU 31 - HD1 TRP 27 33.333% * 44.9116% (0.63 1.42 13.94) = 44.912% kept QD1 ILE 89 - HD1 TRP 27 33.333% * 8.3226% (0.85 0.19 0.73) = 8.323% kept Peak 69 (6.73, 6.31, 122.21 ppm): 2 chemical-shift based assignments, quality = 0.171, support = 1.25, residual support = 86.7: O T HZ2 TRP 27 - HH2 TRP 27 50.000% * 96.9728% (0.16 10.0 10.00 1.28 89.43) = 96.973% kept HZ PHE 72 - HH2 TRP 27 50.000% * 3.0272% (0.58 1.0 1.00 0.17 0.02) = 3.027% kept Peak 70 (6.75, 6.35, 121.95 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 2.05, residual support = 89.4: O HZ2 TRP 27 - HZ3 TRP 27 100.000% *100.0000% (0.89 10.0 2.05 89.43) = 100.000% kept Peak 71 (7.32, 6.35, 121.95 ppm): 5 chemical-shift based assignments, quality = 0.977, support = 1.27, residual support = 86.4: O HE3 TRP 27 - HZ3 TRP 27 20.000% * 96.5977% (1.00 10.0 1.29 89.43) = 96.598% kept HN THR 23 - HZ3 TRP 27 20.000% * 2.9322% (0.49 1.0 0.80 0.61) = 2.932% kept QE PHE 95 - HZ3 TRP 27 20.000% * 0.3042% (0.53 1.0 0.08 0.02) = 0.304% QD PHE 55 - HZ3 TRP 27 20.000% * 0.1456% (0.97 1.0 0.02 0.02) = 0.146% HN LEU 67 - HZ3 TRP 27 20.000% * 0.0203% (0.14 1.0 0.02 0.02) = 0.020% Peak 72 (0.76, 6.31, 122.21 ppm): 7 chemical-shift based assignments, quality = 0.839, support = 0.847, residual support = 3.73: T QG1 VAL 43 - HH2 TRP 27 14.286% * 74.2620% (0.89 10.00 0.77 3.01) = 74.262% kept HG LEU 31 - HH2 TRP 27 14.286% * 9.8925% (0.53 1.00 1.71 13.94) = 9.893% kept QG1 VAL 41 - HH2 TRP 27 14.286% * 8.4396% (1.00 1.00 0.78 0.88) = 8.440% kept QG2 VAL 18 - HH2 TRP 27 14.286% * 4.5747% (0.63 1.00 0.67 0.34) = 4.575% kept QD2 LEU 73 - HH2 TRP 27 14.286% * 1.4894% (0.35 1.00 0.39 2.08) = 1.489% kept QG2 THR 46 - HH2 TRP 27 14.286% * 1.3075% (0.49 1.00 0.25 0.02) = 1.308% kept QD1 ILE 19 - HH2 TRP 27 14.286% * 0.0343% (0.16 1.00 0.02 0.02) = 0.034% Peak 73 (0.76, 6.35, 121.95 ppm): 7 chemical-shift based assignments, quality = 0.738, support = 1.08, residual support = 4.72: QG1 VAL 41 - HZ3 TRP 27 14.286% * 26.1844% (1.00 0.94 0.88) = 26.184% kept HG LEU 31 - HZ3 TRP 27 14.286% * 25.9757% (0.53 1.74 13.94) = 25.976% kept QG1 VAL 43 - HZ3 TRP 27 14.286% * 23.1554% (0.89 0.93 3.01) = 23.155% kept QG2 VAL 18 - HZ3 TRP 27 14.286% * 13.8237% (0.63 0.79 0.34) = 13.824% kept QD2 LEU 73 - HZ3 TRP 27 14.286% * 6.0882% (0.35 0.62 2.08) = 6.088% kept QG2 THR 46 - HZ3 TRP 27 14.286% * 4.6844% (0.49 0.35 0.02) = 4.684% kept QD1 ILE 19 - HZ3 TRP 27 14.286% * 0.0883% (0.16 0.02 0.02) = 0.088% Peak 74 (0.58, 6.35, 121.95 ppm): 7 chemical-shift based assignments, quality = 0.781, support = 1.41, residual support = 3.43: T QD1 LEU 63 - HZ3 TRP 27 14.286% * 58.6626% (0.85 10.00 1.75 3.87) = 58.663% kept T QD1 LEU 73 - HZ3 TRP 27 14.286% * 26.5434% (0.85 10.00 0.79 2.08) = 26.543% kept T QD1 LEU 104 - HZ3 TRP 27 14.286% * 6.7712% (0.18 10.00 0.94 2.42) = 6.771% kept QD2 LEU 115 - HZ3 TRP 27 14.286% * 2.9410% (0.44 1.00 1.70 7.42) = 2.941% kept QD2 LEU 80 - HZ3 TRP 27 14.286% * 2.6454% (0.40 1.00 1.70 5.44) = 2.645% kept QD2 LEU 63 - HZ3 TRP 27 14.286% * 2.1378% (0.77 1.00 0.71 3.87) = 2.138% kept QG2 VAL 41 - HZ3 TRP 27 14.286% * 0.2986% (0.16 1.00 0.48 0.88) = 0.299% Peak 75 (0.08, 6.35, 121.95 ppm): 3 chemical-shift based assignments, quality = 0.697, support = 2.57, residual support = 13.1: T QD2 LEU 31 - HZ3 TRP 27 33.333% * 93.0800% (0.68 10.00 2.71 13.94) = 93.080% kept QG2 VAL 83 - HZ3 TRP 27 33.333% * 4.7510% (1.00 1.00 0.70 1.56) = 4.751% kept QD1 ILE 89 - HZ3 TRP 27 33.333% * 2.1689% (0.81 1.00 0.39 0.73) = 2.169% kept Peak 76 (0.08, 6.31, 122.21 ppm): 3 chemical-shift based assignments, quality = 0.77, support = 2.01, residual support = 9.52: QD2 LEU 31 - HH2 TRP 27 33.333% * 65.0495% (0.68 2.77 13.94) = 65.049% kept QG2 VAL 83 - HH2 TRP 27 33.333% * 23.9960% (1.00 0.70 1.56) = 23.996% kept QD1 ILE 89 - HH2 TRP 27 33.333% * 10.9546% (0.81 0.39 0.73) = 10.955% kept Peak 77 (0.58, 6.31, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.783, support = 1.3, residual support = 4.47: QD1 LEU 63 - HH2 TRP 27 16.667% * 24.0484% (1.00 1.30 3.87) = 24.048% kept QD2 LEU 115 - HH2 TRP 27 16.667% * 20.3100% (0.73 1.51 7.42) = 20.310% kept QD2 LEU 80 - HH2 TRP 27 16.667% * 20.2621% (0.68 1.61 5.44) = 20.262% kept QD1 LEU 73 - HH2 TRP 27 16.667% * 18.2763% (1.00 0.99 2.08) = 18.276% kept QD2 LEU 63 - HH2 TRP 27 16.667% * 9.2121% (0.49 1.02 3.87) = 9.212% kept QD1 LEU 104 - HH2 TRP 27 16.667% * 7.8910% (0.40 1.07 2.42) = 7.891% kept Peak 78 (6.31, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.987, support = 1.28, residual support = 89.4: O T HH2 TRP 27 - HZ2 TRP 27 100.000% *100.0000% (0.99 10.0 10.00 1.28 89.43) = 100.000% kept Peak 79 (7.62, 6.75, 114.38 ppm): 3 chemical-shift based assignments, quality = 0.854, support = 1.94, residual support = 29.5: HD21 ASN 28 - HZ2 TRP 27 33.333% * 72.4767% (0.81 2.39 38.50) = 72.477% kept HZ2 TRP 87 - HZ2 TRP 27 33.333% * 27.0904% (0.97 0.75 5.71) = 27.090% kept QE PHE 60 - HZ2 TRP 27 33.333% * 0.4329% (0.58 0.02 0.02) = 0.433% Peak 80 (10.20, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 1.32, residual support = 89.4: O HE1 TRP 27 - HZ2 TRP 27 100.000% *100.0000% (0.85 10.0 1.32 89.43) = 100.000% kept Peak 81 (10.57, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.891, support = 2.0, residual support = 5.71: HE1 TRP 87 - HZ2 TRP 27 100.000% *100.0000% (0.89 2.00 5.71) = 100.000% kept Peak 82 (0.05, 6.75, 114.38 ppm): 2 chemical-shift based assignments, quality = 0.401, support = 3.17, residual support = 12.9: T QD2 LEU 31 - HZ2 TRP 27 50.000% * 90.7241% (0.35 10.00 3.41 13.94) = 90.724% kept QG2 VAL 43 - HZ2 TRP 27 50.000% * 9.2759% (0.85 1.00 0.85 3.01) = 9.276% kept Peak 83 (0.08, 6.86, 131.77 ppm): 3 chemical-shift based assignments, quality = 0.863, support = 1.78, residual support = 6.47: T QD1 ILE 89 - QD PHE 45 33.333% * 81.0738% (0.85 10.00 1.69 7.42) = 81.074% kept QG2 VAL 83 - QD PHE 45 33.333% * 13.6879% (1.00 1.00 2.44 2.97) = 13.688% kept QD2 LEU 31 - QD PHE 45 33.333% * 5.2383% (0.63 1.00 1.48 0.99) = 5.238% kept Peak 84 (0.09, 6.68, 130.18 ppm): 3 chemical-shift based assignments, quality = 0.908, support = 2.31, residual support = 5.02: QD1 ILE 89 - QE PHE 45 33.333% * 50.9606% (0.95 2.77 7.42) = 50.961% kept QG2 VAL 83 - QE PHE 45 33.333% * 38.1502% (0.97 2.03 2.97) = 38.150% kept QD2 LEU 31 - QE PHE 45 33.333% * 10.8892% (0.49 1.15 0.99) = 10.889% kept Peak 85 (0.44, 6.86, 131.77 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 2.4, residual support = 11.3: T QG1 VAL 75 - QD PHE 45 50.000% * 97.8601% (1.00 10.00 2.45 11.58) = 97.860% kept QD1 LEU 115 - QD PHE 45 50.000% * 2.1399% (0.95 1.00 0.46 0.02) = 2.140% kept Peak 86 (1.00, 6.86, 131.77 ppm): 6 chemical-shift based assignments, quality = 0.966, support = 1.53, residual support = 11.2: T HB VAL 75 - QD PHE 45 16.667% * 96.7184% (0.99 10.00 1.56 11.58) = 96.718% kept QD2 LEU 40 - QD PHE 45 16.667% * 2.1677% (0.53 1.00 0.65 1.02) = 2.168% kept HG3 LYS+ 74 - QD PHE 45 16.667% * 0.8461% (0.24 1.00 0.55 0.02) = 0.846% QD1 ILE 119 - QD PHE 45 16.667% * 0.1624% (0.21 1.00 0.12 0.02) = 0.162% QD1 LEU 67 - QD PHE 45 16.667% * 0.0610% (0.49 1.00 0.02 0.02) = 0.061% QG2 ILE 103 - QD PHE 45 16.667% * 0.0444% (0.35 1.00 0.02 0.02) = 0.044% Peak 87 (1.32, 6.86, 131.77 ppm): 8 chemical-shift based assignments, quality = 0.608, support = 1.83, residual support = 3.72: T QG2 THR 77 - QD PHE 45 12.500% * 71.9896% (0.53 10.00 2.05 4.71) = 71.990% kept QB ALA 88 - QD PHE 45 12.500% * 9.3593% (0.95 1.00 1.46 1.13) = 9.359% kept HG2 LYS+ 99 - QD PHE 45 12.500% * 6.7522% (0.81 1.00 1.23 0.53) = 6.752% kept HG2 LYS+ 111 - QD PHE 45 12.500% * 5.4282% (0.49 1.00 1.65 2.94) = 5.428% kept HG2 LYS+ 38 - QD PHE 45 12.500% * 5.2932% (0.92 1.00 0.85 0.47) = 5.293% kept HB2 LEU 31 - QD PHE 45 12.500% * 1.1233% (0.40 1.00 0.42 0.99) = 1.123% kept HB3 LEU 80 - QD PHE 45 12.500% * 0.0329% (0.24 1.00 0.02 0.02) = 0.033% HB2 LEU 63 - QD PHE 45 12.500% * 0.0213% (0.16 1.00 0.02 0.02) = 0.021% Peak 88 (1.20, 6.86, 131.77 ppm): 6 chemical-shift based assignments, quality = 0.696, support = 1.11, residual support = 7.88: QG2 THR 94 - QD PHE 45 16.667% * 36.6884% (0.73 1.46 18.92) = 36.688% kept HD2 LYS+ 112 - QD PHE 45 16.667% * 26.4681% (1.00 0.77 0.39) = 26.468% kept HB3 LYS+ 112 - QD PHE 45 16.667% * 18.5001% (0.68 0.79 0.39) = 18.500% kept HG3 LYS+ 111 - QD PHE 45 16.667% * 12.1560% (0.24 1.44 2.94) = 12.156% kept HG12 ILE 89 - QD PHE 45 16.667% * 5.5046% (0.18 0.87 7.42) = 5.505% kept HB3 LEU 71 - QD PHE 45 16.667% * 0.6828% (0.99 0.02 0.02) = 0.683% Peak 89 (0.45, 6.68, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.851, support = 2.44, residual support = 11.4: T QG1 VAL 75 - QE PHE 45 50.000% * 98.2530% (0.85 10.00 2.47 11.58) = 98.253% kept QD1 LEU 115 - QE PHE 45 50.000% * 1.7470% (0.63 1.00 0.48 0.02) = 1.747% kept Peak 90 (1.75, 6.68, 130.18 ppm): 4 chemical-shift based assignments, quality = 0.463, support = 0.67, residual support = 6.93: HB ILE 89 - QE PHE 45 25.000% * 93.0026% (0.49 0.71 7.42) = 93.003% kept HB2 LYS+ 99 - QE PHE 45 25.000% * 4.7094% (0.16 0.11 0.53) = 4.709% kept HB VAL 43 - QE PHE 45 25.000% * 1.3040% (0.24 0.02 0.41) = 1.304% kept QD LYS+ 81 - QE PHE 45 25.000% * 0.9840% (0.18 0.02 0.02) = 0.984% Peak 91 (1.95, 6.68, 130.18 ppm): 5 chemical-shift based assignments, quality = 0.664, support = 0.479, residual support = 0.835: HB2 LEU 40 - QE PHE 45 20.000% * 72.0161% (0.77 0.54 1.02) = 72.016% kept HB3 MET 96 - QE PHE 45 20.000% * 21.9385% (0.31 0.40 0.46) = 21.939% kept HB3 ARG+ 54 - QE PHE 45 20.000% * 3.0760% (0.89 0.02 0.02) = 3.076% kept HB VAL 18 - QE PHE 45 20.000% * 2.0098% (0.58 0.02 0.02) = 2.010% kept HB2 LEU 67 - QE PHE 45 20.000% * 0.9597% (0.28 0.02 0.02) = 0.960% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 92 (2.24, 6.68, 130.18 ppm): 6 chemical-shift based assignments, quality = 0.713, support = 0.809, residual support = 0.733: HB3 ASP- 76 - QE PHE 45 16.667% * 55.3173% (0.63 1.26 1.26) = 55.317% kept HG3 MET 92 - QE PHE 45 16.667% * 16.4089% (0.95 0.25 0.13) = 16.409% kept HB2 ASP- 105 - QE PHE 45 16.667% * 15.7321% (0.89 0.25 0.02) = 15.732% kept HG2 GLU- 100 - QE PHE 45 16.667% * 10.7999% (0.53 0.29 0.11) = 10.800% kept HB2 GLU- 29 - QE PHE 45 16.667% * 1.1898% (0.85 0.02 0.02) = 1.190% kept HG12 ILE 119 - QE PHE 45 16.667% * 0.5520% (0.40 0.02 0.02) = 0.552% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 93 (6.37, 6.68, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.396, support = 0.999, residual support = 66.5: O T HZ PHE 45 - QE PHE 45 50.000% * 99.8534% (0.40 10.0 10.00 1.00 66.57) = 99.853% kept HZ3 TRP 27 - QE PHE 45 50.000% * 0.1466% (0.58 1.0 1.00 0.02 0.02) = 0.147% Peak 94 (6.84, 6.68, 130.18 ppm): 3 chemical-shift based assignments, quality = 0.545, support = 3.02, residual support = 64.1: O QD PHE 45 - QE PHE 45 33.333% * 96.3309% (0.53 10.0 3.13 66.57) = 96.331% kept HE22 GLN 116 - QE PHE 45 33.333% * 2.2427% (0.81 1.0 0.31 0.02) = 2.243% kept HD2 HIS 122 - QE PHE 45 33.333% * 1.4264% (0.85 1.0 0.19 0.02) = 1.426% kept Peak 95 (1.94, 6.86, 131.77 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 1.05, residual support = 0.696: HB2 LEU 40 - QD PHE 45 16.667% * 53.8396% (1.00 1.25 1.02) = 53.840% kept HB3 MET 96 - QD PHE 45 16.667% * 31.5412% (0.73 1.01 0.46) = 31.541% kept HB3 ARG+ 54 - QD PHE 45 16.667% * 9.5038% (0.49 0.45 0.02) = 9.504% kept HB3 GLU- 14 - QD PHE 45 16.667% * 4.7739% (0.35 0.31 0.02) = 4.774% kept HB VAL 18 - QD PHE 45 16.667% * 0.1830% (0.21 0.02 0.02) = 0.183% HG3 MET 11 - QD PHE 45 16.667% * 0.1585% (0.18 0.02 0.02) = 0.158% Peak 96 (2.22, 6.86, 131.77 ppm): 9 chemical-shift based assignments, quality = 0.817, support = 1.24, residual support = 0.695: HB3 ASP- 76 - QD PHE 45 11.111% * 45.0725% (0.89 1.76 1.26) = 45.072% kept HG2 GLU- 100 - QD PHE 45 11.111% * 20.6904% (0.95 0.76 0.11) = 20.690% kept HB2 MET 96 - QD PHE 45 11.111% * 20.3604% (0.81 0.87 0.46) = 20.360% kept HG3 MET 92 - QD PHE 45 11.111% * 7.4985% (0.21 1.23 0.13) = 7.499% kept HB2 ASP- 105 - QD PHE 45 11.111% * 5.8876% (0.63 0.32 0.02) = 5.888% kept HB VAL 70 - QD PHE 45 11.111% * 0.1813% (0.31 0.02 0.02) = 0.181% QG GLN 17 - QD PHE 45 11.111% * 0.1404% (0.24 0.02 0.02) = 0.140% HB2 GLU- 25 - QD PHE 45 11.111% * 0.0911% (0.16 0.02 0.02) = 0.091% HB2 GLU- 29 - QD PHE 45 11.111% * 0.0779% (0.14 0.02 0.02) = 0.078% Peak 97 (2.43, 6.86, 131.77 ppm): 6 chemical-shift based assignments, quality = 0.721, support = 4.15, residual support = 63.2: O T HB3 PHE 45 - QD PHE 45 16.667% * 94.9418% (0.73 10.0 10.00 4.33 66.57) = 94.942% kept QE LYS+ 112 - QD PHE 45 16.667% * 4.2908% (0.73 1.0 1.00 0.90 0.39) = 4.291% kept HB3 ASP- 86 - QD PHE 45 16.667% * 0.5701% (0.81 1.0 1.00 0.11 0.02) = 0.570% HG2 GLU- 29 - QD PHE 45 16.667% * 0.1242% (0.95 1.0 1.00 0.02 0.02) = 0.124% HB3 ASP- 62 - QD PHE 45 16.667% * 0.0412% (0.31 1.0 1.00 0.02 0.02) = 0.041% HB VAL 107 - QD PHE 45 16.667% * 0.0319% (0.24 1.0 1.00 0.02 0.02) = 0.032% Peak 98 (3.06, 6.86, 131.77 ppm): 3 chemical-shift based assignments, quality = 0.953, support = 3.84, residual support = 62.4: O T HB2 PHE 45 - QD PHE 45 33.333% * 93.4687% (0.95 10.0 10.00 4.02 66.57) = 93.469% kept QE LYS+ 111 - QD PHE 45 33.333% * 6.4923% (1.00 1.0 1.00 1.32 2.94) = 6.492% kept HB2 CYS 21 - QD PHE 45 33.333% * 0.0390% (0.40 1.0 1.00 0.02 0.02) = 0.039% Peak 99 (3.95, 6.86, 131.77 ppm): 10 chemical-shift based assignments, quality = 0.591, support = 3.17, residual support = 16.2: HB THR 94 - QD PHE 45 10.000% * 85.7267% (0.58 3.67 18.92) = 85.727% kept QB SER 85 - QD PHE 45 10.000% * 8.7802% (0.92 0.24 0.02) = 8.780% kept HA LYS+ 121 - QD PHE 45 10.000% * 2.1300% (0.49 0.11 0.02) = 2.130% kept HA ALA 120 - QD PHE 45 10.000% * 0.7620% (0.95 0.02 0.02) = 0.762% HA2 GLY 16 - QD PHE 45 10.000% * 0.7404% (0.92 0.02 0.02) = 0.740% HA LYS+ 65 - QD PHE 45 10.000% * 0.6857% (0.85 0.02 0.02) = 0.686% QB SER 48 - QD PHE 45 10.000% * 0.5824% (0.73 0.02 0.02) = 0.582% HA2 GLY 51 - QD PHE 45 10.000% * 0.3181% (0.40 0.02 0.02) = 0.318% HD2 PRO 52 - QD PHE 45 10.000% * 0.1476% (0.18 0.02 0.02) = 0.148% QB SER 117 - QD PHE 45 10.000% * 0.1270% (0.16 0.02 0.02) = 0.127% Peak 100 (4.31, 6.86, 131.77 ppm): 8 chemical-shift based assignments, quality = 0.301, support = 3.36, residual support = 9.19: HA ASP- 44 - QD PHE 45 12.500% * 68.3872% (0.21 4.70 12.77) = 68.387% kept HB THR 77 - QD PHE 45 12.500% * 9.7151% (0.16 0.90 4.71) = 9.715% kept HA SER 85 - QD PHE 45 12.500% * 7.5272% (0.16 0.69 0.02) = 7.527% kept HA ASP- 86 - QD PHE 45 12.500% * 7.1262% (0.97 0.11 0.02) = 7.126% kept HA LEU 104 - QD PHE 45 12.500% * 4.2419% (0.77 0.08 0.02) = 4.242% kept HA GLU- 14 - QD PHE 45 12.500% * 1.3661% (1.00 0.02 0.02) = 1.366% kept HA ALA 12 - QD PHE 45 12.500% * 1.3021% (0.95 0.02 0.02) = 1.302% kept HA MET 11 - QD PHE 45 12.500% * 0.3342% (0.24 0.02 0.02) = 0.334% Peak 101 (4.88, 6.86, 131.77 ppm): 3 chemical-shift based assignments, quality = 0.409, support = 2.78, residual support = 41.2: HA PHE 45 - QD PHE 45 33.333% * 61.7528% (0.14 4.36 66.57) = 61.753% kept HA VAL 41 - QD PHE 45 33.333% * 20.8506% (0.73 0.27 0.30) = 20.851% kept HA HIS 122 - QD PHE 45 33.333% * 17.3966% (1.00 0.17 0.02) = 17.397% kept Peak 102 (8.76, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.358, support = 3.75, residual support = 34.1: HN PHE 45 - QD PHE 45 25.000% * 43.4902% (0.31 4.50 66.57) = 43.490% kept HN ASP- 44 - QD PHE 45 25.000% * 39.8139% (0.31 4.12 12.77) = 39.814% kept HN ALA 110 - QD PHE 45 25.000% * 16.4784% (0.58 0.92 0.16) = 16.478% kept HN GLU- 25 - QD PHE 45 25.000% * 0.2174% (0.35 0.02 0.02) = 0.217% Peak 103 (6.68, 6.38, 129.17 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 0.998, residual support = 66.4: O QE PHE 45 - HZ PHE 45 33.333% * 99.7948% (0.97 10.0 1.00 66.57) = 99.795% kept QD PHE 72 - HZ PHE 45 33.333% * 0.1674% (0.81 1.0 0.02 0.02) = 0.167% HD22 ASN 69 - HZ PHE 45 33.333% * 0.0378% (0.18 1.0 0.02 0.02) = 0.038% Peak 104 (6.61, 7.35, 128.88 ppm): 3 chemical-shift based assignments, quality = 0.781, support = 3.98, residual support = 27.0: HN CYS 50 - HD1 TRP 49 33.333% * 73.9189% (0.97 3.62 11.23) = 73.919% kept HN TRP 49 - HD1 TRP 49 33.333% * 25.8765% (0.24 5.05 72.15) = 25.876% kept HN VAL 83 - HD1 TRP 49 33.333% * 0.2046% (0.49 0.02 0.02) = 0.205% Peak 105 (11.09, 7.35, 128.88 ppm): 1 chemical-shift based assignment, quality = 0.772, support = 2.41, residual support = 72.2: O HE1 TRP 49 - HD1 TRP 49 100.000% *100.0000% (0.77 10.0 2.41 72.15) = 100.000% kept Peak 107 (7.16, 7.49, 115.54 ppm): 2 chemical-shift based assignments, quality = 0.278, support = 0.999, residual support = 72.1: O HH2 TRP 49 - HZ2 TRP 49 50.000% * 99.9027% (0.28 10.0 1.00 72.15) = 99.903% kept HE21 GLN 30 - HZ2 TRP 49 50.000% * 0.0973% (0.14 1.0 0.02 0.02) = 0.097% Peak 108 (11.08, 7.49, 115.54 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 1.0, residual support = 72.2: O HE1 TRP 49 - HZ2 TRP 49 100.000% *100.0000% (0.40 10.0 1.00 72.15) = 100.000% kept Peak 109 (7.49, 7.18, 125.21 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 0.999, residual support = 72.1: O HZ2 TRP 49 - HH2 TRP 49 50.000% * 99.8933% (1.00 10.0 1.00 72.15) = 99.893% kept HN LYS+ 121 - HH2 TRP 49 50.000% * 0.1067% (0.53 1.0 0.02 0.42) = 0.107% Peak 110 (0.08, 6.38, 129.17 ppm): 3 chemical-shift based assignments, quality = 0.852, support = 1.32, residual support = 4.13: QG2 VAL 83 - HZ PHE 45 33.333% * 41.7665% (0.99 1.35 2.97) = 41.766% kept QD1 ILE 89 - HZ PHE 45 33.333% * 35.9215% (0.77 1.49 7.42) = 35.921% kept QD2 LEU 31 - HZ PHE 45 33.333% * 22.3120% (0.73 0.98 0.99) = 22.312% kept Peak 111 (3.70, 7.35, 128.88 ppm): 7 chemical-shift based assignments, quality = 0.531, support = 4.42, residual support = 70.5: O T HB2 TRP 49 - HD1 TRP 49 14.286% * 97.6690% (0.53 10.0 10.00 4.51 72.15) = 97.669% kept HA THR 118 - HD1 TRP 49 14.286% * 2.0148% (0.44 1.0 1.00 0.50 0.86) = 2.015% kept HA ILE 119 - HD1 TRP 49 14.286% * 0.1154% (0.63 1.0 1.00 0.02 0.02) = 0.115% HA VAL 75 - HD1 TRP 49 14.286% * 0.0806% (0.44 1.0 1.00 0.02 0.02) = 0.081% HA ALA 84 - HD1 TRP 49 14.286% * 0.0576% (0.31 1.0 1.00 0.02 0.02) = 0.058% HD3 PRO 58 - HD1 TRP 49 14.286% * 0.0336% (0.18 1.0 1.00 0.02 0.02) = 0.034% HA2 GLY 109 - HD1 TRP 49 14.286% * 0.0290% (0.16 1.0 1.00 0.02 0.02) = 0.029% Peak 112 (3.15, 7.35, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 4.56, residual support = 72.1: O T HB3 TRP 49 - HD1 TRP 49 50.000% * 99.9263% (0.85 10.0 10.00 4.56 72.15) = 99.926% kept HB3 PHE 59 - HD1 TRP 49 50.000% * 0.0737% (0.63 1.0 1.00 0.02 0.02) = 0.074% Peak 113 (0.38, 7.35, 128.88 ppm): 4 chemical-shift based assignments, quality = 0.679, support = 2.54, residual support = 5.29: QB ALA 47 - HD1 TRP 49 25.000% * 61.3747% (0.77 3.19 7.56) = 61.375% kept QG1 VAL 42 - HD1 TRP 49 25.000% * 27.6786% (0.63 1.76 2.26) = 27.679% kept QB ALA 64 - HD1 TRP 49 25.000% * 5.5132% (0.31 0.70 0.02) = 5.513% kept HG2 LYS+ 112 - HD1 TRP 49 25.000% * 5.4335% (0.24 0.89 0.50) = 5.434% kept Peak 118 (1.84, 7.49, 115.54 ppm): 13 chemical-shift based assignments, quality = 0.756, support = 0.529, residual support = 0.369: T HG LEU 123 - HZ2 TRP 49 7.692% * 73.1758% (0.81 10.00 0.51 0.25) = 73.176% kept HG12 ILE 103 - HZ2 TRP 49 7.692% * 7.9518% (0.49 1.00 0.93 1.14) = 7.952% kept HB ILE 103 - HZ2 TRP 49 7.692% * 6.6892% (0.63 1.00 0.60 1.14) = 6.689% kept HB3 PRO 52 - HZ2 TRP 49 7.692% * 5.4059% (0.81 1.00 0.38 0.31) = 5.406% kept HG3 PRO 68 - HZ2 TRP 49 7.692% * 5.1515% (0.68 1.00 0.43 0.11) = 5.152% kept HB VAL 41 - HZ2 TRP 49 7.692% * 0.7638% (0.31 1.00 0.14 0.02) = 0.764% HG2 ARG+ 54 - HZ2 TRP 49 7.692% * 0.2055% (0.58 1.00 0.02 0.02) = 0.205% HB3 ASP- 105 - HZ2 TRP 49 7.692% * 0.1885% (0.53 1.00 0.02 0.02) = 0.188% QB LYS+ 33 - HZ2 TRP 49 7.692% * 0.1400% (0.40 1.00 0.02 0.02) = 0.140% HB3 GLN 90 - HZ2 TRP 49 7.692% * 0.1112% (0.31 1.00 0.02 0.02) = 0.111% QB LYS+ 81 - HZ2 TRP 49 7.692% * 0.0861% (0.24 1.00 0.02 0.02) = 0.086% QB LYS+ 106 - HZ2 TRP 49 7.692% * 0.0750% (0.21 1.00 0.02 0.02) = 0.075% QB LYS+ 66 - HZ2 TRP 49 7.692% * 0.0559% (0.16 1.00 0.02 0.02) = 0.056% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 119 (0.38, 7.49, 115.54 ppm): 3 chemical-shift based assignments, quality = 0.525, support = 1.17, residual support = 4.96: QB ALA 47 - HZ2 TRP 49 33.333% * 55.9802% (0.58 1.41 7.56) = 55.980% kept QG1 VAL 42 - HZ2 TRP 49 33.333% * 32.1724% (0.44 1.07 2.26) = 32.172% kept QB ALA 64 - HZ2 TRP 49 33.333% * 11.8474% (0.49 0.36 0.02) = 11.847% kept Peak 120 (2.30, 7.18, 125.21 ppm): 7 chemical-shift based assignments, quality = 0.451, support = 0.202, residual support = 0.172: HG2 PRO 52 - HH2 TRP 49 14.286% * 51.6213% (0.21 0.37 0.31) = 51.621% kept HG2 MET 92 - HH2 TRP 49 14.286% * 10.6419% (0.81 0.02 0.02) = 10.642% kept HG3 GLU- 36 - HH2 TRP 49 14.286% * 10.6419% (0.81 0.02 0.02) = 10.642% kept QG GLU- 114 - HH2 TRP 49 14.286% * 9.4840% (0.73 0.02 0.02) = 9.484% kept HB2 GLU- 79 - HH2 TRP 49 14.286% * 8.2384% (0.63 0.02 0.02) = 8.238% kept QB MET 11 - HH2 TRP 49 14.286% * 7.6050% (0.58 0.02 0.02) = 7.605% kept QG GLU- 15 - HH2 TRP 49 14.286% * 1.7676% (0.14 0.02 0.02) = 1.768% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 121 (1.84, 7.18, 125.21 ppm): 13 chemical-shift based assignments, quality = 0.686, support = 1.18, residual support = 0.584: HB3 PRO 52 - HH2 TRP 49 7.692% * 31.8447% (0.81 1.49 0.31) = 31.845% kept HB ILE 103 - HH2 TRP 49 7.692% * 25.5059% (0.63 1.54 1.14) = 25.506% kept HG LEU 123 - HH2 TRP 49 7.692% * 13.9910% (0.81 0.66 0.25) = 13.991% kept HG12 ILE 103 - HH2 TRP 49 7.692% * 12.5927% (0.49 0.99 1.14) = 12.593% kept HG3 PRO 68 - HH2 TRP 49 7.692% * 12.1031% (0.68 0.68 0.11) = 12.103% kept HB VAL 41 - HH2 TRP 49 7.692% * 2.6828% (0.31 0.33 0.02) = 2.683% kept HG2 ARG+ 54 - HH2 TRP 49 7.692% * 0.3051% (0.58 0.02 0.02) = 0.305% HB3 ASP- 105 - HH2 TRP 49 7.692% * 0.2798% (0.53 0.02 0.02) = 0.280% QB LYS+ 33 - HH2 TRP 49 7.692% * 0.2078% (0.40 0.02 0.02) = 0.208% HB3 GLN 90 - HH2 TRP 49 7.692% * 0.1650% (0.31 0.02 0.02) = 0.165% QB LYS+ 81 - HH2 TRP 49 7.692% * 0.1278% (0.24 0.02 0.02) = 0.128% QB LYS+ 106 - HH2 TRP 49 7.692% * 0.1113% (0.21 0.02 0.02) = 0.111% QB LYS+ 66 - HH2 TRP 49 7.692% * 0.0829% (0.16 0.02 0.02) = 0.083% Peak 122 (3.36, 7.32, 132.31 ppm): 5 chemical-shift based assignments, quality = 0.256, support = 2.32, residual support = 11.9: O QB PHE 55 - QD PHE 55 20.000% * 62.9547% (0.14 10.0 2.25 16.20) = 62.955% kept HD2 ARG+ 54 - QD PHE 55 20.000% * 31.6732% (0.49 1.0 2.80 5.31) = 31.673% kept HB3 CYS 53 - QD PHE 55 20.000% * 3.7499% (0.40 1.0 0.41 0.02) = 3.750% kept HD3 PRO 68 - QD PHE 55 20.000% * 1.1636% (0.18 1.0 0.27 0.02) = 1.164% kept HD3 PRO 93 - QD PHE 55 20.000% * 0.4586% (0.21 1.0 0.09 0.02) = 0.459% Peak 123 (4.46, 7.32, 132.31 ppm): 5 chemical-shift based assignments, quality = 0.849, support = 1.51, residual support = 10.3: HA PHE 55 - QD PHE 55 20.000% * 62.9486% (0.77 2.03 16.20) = 62.949% kept HA ALA 110 - QD PHE 55 20.000% * 29.0607% (1.00 0.73 0.43) = 29.061% kept HA GLN 90 - QD PHE 55 20.000% * 7.7113% (0.95 0.20 0.02) = 7.711% kept HA VAL 107 - QD PHE 55 20.000% * 0.1707% (0.21 0.02 0.02) = 0.171% HA VAL 42 - QD PHE 55 20.000% * 0.1087% (0.14 0.02 0.02) = 0.109% Peak 124 (1.43, 7.32, 132.31 ppm): 11 chemical-shift based assignments, quality = 0.828, support = 0.785, residual support = 0.344: T QG LYS+ 66 - QD PHE 55 9.091% * 52.3379% (0.92 10.00 0.48 0.02) = 52.338% kept HB3 LEU 67 - QD PHE 55 9.091% * 12.5446% (1.00 1.00 1.05 0.61) = 12.545% kept HG LEU 80 - QD PHE 55 9.091% * 11.2605% (0.77 1.00 1.23 0.90) = 11.261% kept QB ALA 110 - QD PHE 55 9.091% * 9.3436% (0.73 1.00 1.08 0.43) = 9.344% kept HG LEU 73 - QD PHE 55 9.091% * 5.2743% (0.73 1.00 0.61 0.02) = 5.274% kept HB3 LEU 115 - QD PHE 55 9.091% * 3.8783% (0.18 1.00 1.77 2.08) = 3.878% kept HB2 LEU 80 - QD PHE 55 9.091% * 3.6951% (0.18 1.00 1.69 0.90) = 3.695% kept QB ALA 61 - QD PHE 55 9.091% * 1.3328% (0.95 1.00 0.12 0.02) = 1.333% kept HG12 ILE 19 - QD PHE 55 9.091% * 0.1502% (0.63 1.00 0.02 0.02) = 0.150% HG2 LYS+ 102 - QD PHE 55 9.091% * 0.1387% (0.58 1.00 0.02 0.02) = 0.139% HG LEU 40 - QD PHE 55 9.091% * 0.0438% (0.18 1.00 0.02 0.02) = 0.044% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 125 (0.58, 7.32, 132.31 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 1.02, residual support = 1.1: T QD2 LEU 80 - QD PHE 55 16.667% * 81.7607% (0.77 10.00 0.87 0.90) = 81.761% kept QD2 LEU 115 - QD PHE 55 16.667% * 17.5374% (0.81 1.00 1.76 2.08) = 17.537% kept QD1 LEU 73 - QD PHE 55 16.667% * 0.2432% (1.00 1.00 0.02 0.02) = 0.243% QD1 LEU 63 - QD PHE 55 16.667% * 0.2432% (1.00 1.00 0.02 0.02) = 0.243% QD1 LEU 104 - QD PHE 55 16.667% * 0.1187% (0.49 1.00 0.02 0.02) = 0.119% QD2 LEU 63 - QD PHE 55 16.667% * 0.0968% (0.40 1.00 0.02 0.02) = 0.097% Peak 126 (3.16, 7.33, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 0.02: HB3 PHE 59 - QE PHE 95 50.000% * 80.1930% (0.99 0.02 0.02) = 80.193% kept HB3 TRP 49 - QE PHE 95 50.000% * 19.8070% (0.24 0.02 0.02) = 19.807% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 128 (2.43, 7.33, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.552, support = 1.47, residual support = 3.66: T QE LYS+ 112 - QE PHE 95 16.667% * 87.4406% (0.58 10.00 1.53 2.72) = 87.441% kept T HB3 ASP- 62 - QE PHE 95 16.667% * 4.6687% (0.44 10.00 0.11 0.02) = 4.669% kept HB VAL 107 - QE PHE 95 16.667% * 4.1942% (0.16 1.00 2.70 29.22) = 4.194% kept HB3 PHE 45 - QE PHE 95 16.667% * 2.7002% (0.58 1.00 0.47 2.00) = 2.700% kept HB3 ASP- 86 - QE PHE 95 16.667% * 0.8005% (0.92 1.00 0.09 0.31) = 0.800% HG2 GLU- 29 - QE PHE 95 16.667% * 0.1959% (1.00 1.00 0.02 0.02) = 0.196% Peak 129 (1.70, 7.33, 131.79 ppm): 9 chemical-shift based assignments, quality = 0.792, support = 0.36, residual support = 0.129: HB2 LEU 73 - QE PHE 95 11.111% * 35.3105% (0.89 0.38 0.33) = 35.311% kept HD2 LYS+ 111 - QE PHE 95 11.111% * 30.8603% (0.58 0.51 0.02) = 30.860% kept QD LYS+ 106 - QE PHE 95 11.111% * 26.2081% (1.00 0.25 0.02) = 26.208% kept QD LYS+ 99 - QE PHE 95 11.111% * 2.0845% (1.00 0.02 0.02) = 2.085% kept HG3 PRO 93 - QE PHE 95 11.111% * 2.0370% (0.24 0.08 0.02) = 2.037% kept HB3 MET 92 - QE PHE 95 11.111% * 1.5137% (0.73 0.02 0.02) = 1.514% kept QG1 ILE 56 - QE PHE 95 11.111% * 0.8268% (0.40 0.02 0.02) = 0.827% HB2 LEU 123 - QE PHE 95 11.111% * 0.5796% (0.28 0.02 0.02) = 0.580% HB3 LYS+ 99 - QE PHE 95 11.111% * 0.5796% (0.28 0.02 0.02) = 0.580% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 130 (1.17, 7.33, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.535, support = 1.6, residual support = 15.8: QG2 VAL 107 - QE PHE 95 20.000% * 47.1395% (0.58 2.12 29.22) = 47.140% kept HB3 LYS+ 112 - QE PHE 95 20.000% * 17.8082% (0.24 1.91 2.72) = 17.808% kept HG13 ILE 103 - QE PHE 95 20.000% * 17.2370% (1.00 0.45 0.63) = 17.237% kept QG2 THR 94 - QE PHE 95 20.000% * 10.5706% (0.21 1.30 12.63) = 10.571% kept HG2 LYS+ 121 - QE PHE 95 20.000% * 7.2448% (0.31 0.60 0.86) = 7.245% kept Peak 131 (0.58, 7.33, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.817, support = 1.43, residual support = 1.4: T QD2 LEU 80 - QE PHE 95 16.667% * 39.0259% (0.77 10.00 0.48 0.29) = 39.026% kept QD2 LEU 115 - QE PHE 95 16.667% * 27.0984% (0.81 1.00 3.14 4.03) = 27.098% kept QD1 LEU 63 - QE PHE 95 16.667% * 14.0921% (1.00 1.00 1.33 0.80) = 14.092% kept QD1 LEU 73 - QE PHE 95 16.667% * 12.1182% (1.00 1.00 1.15 0.33) = 12.118% kept QD2 LEU 63 - QE PHE 95 16.667% * 3.9701% (0.40 1.00 0.94 0.80) = 3.970% kept QD1 LEU 104 - QE PHE 95 16.667% * 3.6954% (0.49 1.00 0.72 0.26) = 3.695% kept Peak 132 (0.41, 7.33, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.259, support = 1.4, residual support = 3.69: T QD1 LEU 115 - QE PHE 95 50.000% * 79.5458% (0.21 10.00 1.33 4.03) = 79.546% kept QB ALA 64 - QE PHE 95 50.000% * 20.4542% (0.44 1.00 1.65 2.36) = 20.454% kept Peak 133 (7.62, 7.29, 132.36 ppm): 3 chemical-shift based assignments, quality = 0.769, support = 1.03, residual support = 60.2: O QE PHE 60 - QD PHE 60 33.333% * 99.6303% (0.77 10.0 1.04 60.43) = 99.630% kept HZ2 TRP 87 - QD PHE 60 33.333% * 0.2128% (0.85 1.0 0.02 0.44) = 0.213% HD21 ASN 28 - QD PHE 60 33.333% * 0.1570% (0.63 1.0 0.02 0.02) = 0.157% Peak 134 (2.96, 7.29, 132.36 ppm): 4 chemical-shift based assignments, quality = 0.63, support = 3.46, residual support = 60.3: O T HB3 PHE 60 - QD PHE 60 25.000% * 99.8115% (0.63 10.0 10.00 3.46 60.43) = 99.811% kept HB2 ASN 35 - QD PHE 60 25.000% * 0.0921% (0.58 1.0 1.00 0.02 0.02) = 0.092% QE LYS+ 106 - QD PHE 60 25.000% * 0.0628% (0.40 1.0 1.00 0.02 0.02) = 0.063% HB2 ASP- 86 - QD PHE 60 25.000% * 0.0336% (0.21 1.0 1.00 0.02 0.02) = 0.034% Peak 138 (0.79, 7.29, 132.36 ppm): 4 chemical-shift based assignments, quality = 0.775, support = 0.98, residual support = 0.667: QD2 LEU 73 - QD PHE 60 25.000% * 46.2457% (0.77 1.31 0.93) = 46.246% kept QD1 ILE 56 - QD PHE 60 25.000% * 25.9719% (0.99 0.57 0.20) = 25.972% kept HG3 LYS+ 121 - QD PHE 60 25.000% * 24.3099% (0.58 0.91 0.76) = 24.310% kept HG LEU 31 - QD PHE 60 25.000% * 3.4725% (0.58 0.13 0.02) = 3.473% kept Peak 139 (0.40, 7.29, 132.36 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 2.47, residual support = 3.41: QB ALA 64 - QD PHE 60 100.000% *100.0000% (0.92 2.47 3.41) = 100.000% kept Peak 140 (8.40, 7.13, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 3.07, residual support = 43.8: HN PHE 97 - QD PHE 97 50.000% * 77.9693% (0.95 3.64 55.98) = 77.969% kept HN LEU 115 - QD PHE 97 50.000% * 22.0307% (0.95 1.03 0.64) = 22.031% kept Peak 141 (3.70, 7.13, 131.79 ppm): 7 chemical-shift based assignments, quality = 0.576, support = 0.923, residual support = 1.89: HA ILE 119 - QD PHE 97 14.286% * 59.4571% (0.68 1.17 2.15) = 59.457% kept HA THR 118 - QD PHE 97 14.286% * 21.6106% (0.49 0.59 0.13) = 21.611% kept HA VAL 75 - QD PHE 97 14.286% * 17.0205% (0.40 0.57 3.42) = 17.021% kept HB2 TRP 49 - QD PHE 97 14.286% * 0.8702% (0.58 0.02 0.02) = 0.870% HA ALA 84 - QD PHE 97 14.286% * 0.5299% (0.35 0.02 0.02) = 0.530% HA2 GLY 109 - QD PHE 97 14.286% * 0.2750% (0.18 0.02 0.02) = 0.275% HD3 PRO 58 - QD PHE 97 14.286% * 0.2366% (0.16 0.02 0.02) = 0.237% Peak 142 (2.98, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.859, support = 2.37, residual support = 52.1: O T HB2 PHE 97 - QD PHE 97 25.000% * 91.3194% (0.85 10.0 10.00 2.44 55.98) = 91.319% kept QE LYS+ 106 - QD PHE 97 25.000% * 8.5160% (0.92 1.0 1.00 1.73 10.98) = 8.516% kept HB3 TRP 27 - QD PHE 97 25.000% * 0.0870% (0.81 1.0 1.00 0.02 0.02) = 0.087% HB3 PHE 60 - QD PHE 97 25.000% * 0.0776% (0.73 1.0 1.00 0.02 0.02) = 0.078% Peak 143 (2.36, 7.13, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 2.7, residual support = 55.6: O T HB3 PHE 97 - QD PHE 97 20.000% * 99.3480% (1.00 10.0 10.00 2.71 55.98) = 99.348% kept HB2 GLN 116 - QD PHE 97 20.000% * 0.4861% (0.95 1.0 1.00 0.10 0.02) = 0.486% HB2 GLU- 100 - QD PHE 97 20.000% * 0.0849% (0.85 1.0 1.00 0.02 0.02) = 0.085% HB2 PRO 58 - QD PHE 97 20.000% * 0.0627% (0.63 1.0 1.00 0.02 0.02) = 0.063% QG GLU- 79 - QD PHE 97 20.000% * 0.0183% (0.18 1.0 1.00 0.02 0.02) = 0.018% Peak 144 (1.10, 7.13, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.619, support = 0.927, residual support = 2.16: QG1 VAL 107 - QD PHE 97 20.000% * 52.7803% (0.77 0.78 2.67) = 52.780% kept HG13 ILE 119 - QD PHE 97 20.000% * 34.9313% (0.28 1.44 2.15) = 34.931% kept HD3 LYS+ 112 - QD PHE 97 20.000% * 9.9884% (0.97 0.12 0.02) = 9.988% kept QG1 VAL 24 - QD PHE 97 20.000% * 1.7491% (1.00 0.02 0.02) = 1.749% kept HB3 LEU 31 - QD PHE 97 20.000% * 0.5510% (0.31 0.02 0.02) = 0.551% Peak 145 (1.02, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 2.69, residual support = 3.6: QD1 ILE 119 - QD PHE 97 25.000% * 40.5872% (0.92 2.45 2.15) = 40.587% kept HB2 LEU 104 - QD PHE 97 25.000% * 28.7714% (0.58 2.75 6.15) = 28.771% kept HB VAL 75 - QD PHE 97 25.000% * 28.0544% (0.49 3.21 3.42) = 28.054% kept QG2 VAL 108 - QD PHE 97 25.000% * 2.5869% (0.40 0.36 0.02) = 2.587% kept Peak 146 (0.20, 7.13, 131.79 ppm): 1 chemical-shift based assignment, quality = 0.213, support = 0.02, residual support = 0.02: QG2 VAL 70 - QD PHE 97 100.000% *100.0000% (0.21 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 147 (0.40, 7.13, 131.79 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 0.02, residual support = 0.02: QB ALA 64 - QD PHE 97 100.000% *100.0000% (1.00 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 148 (8.40, 7.19, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 2.37, residual support = 11.5: HN LEU 115 - QD PHE 59 50.000% * 76.1374% (0.95 2.84 14.99) = 76.137% kept HN PHE 97 - QD PHE 59 50.000% * 23.8626% (0.95 0.89 0.50) = 23.863% kept Peak 149 (4.37, 7.19, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.542, support = 1.91, residual support = 28.2: HA PHE 59 - QD PHE 59 16.667% * 54.6020% (0.49 2.98 50.28) = 54.602% kept HA LYS+ 99 - QD PHE 59 16.667% * 17.9627% (0.73 0.66 1.24) = 17.963% kept HA ILE 56 - QD PHE 59 16.667% * 13.7393% (0.49 0.75 3.85) = 13.739% kept HA LEU 123 - QD PHE 59 16.667% * 8.2983% (0.35 0.62 0.02) = 8.298% kept HA ASP- 113 - QD PHE 59 16.667% * 4.9957% (1.00 0.13 0.02) = 4.996% kept HA ASN 35 - QD PHE 59 16.667% * 0.4020% (0.53 0.02 0.02) = 0.402% Peak 150 (3.69, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 1.78, residual support = 7.37: T HA ILE 119 - QD PHE 59 20.000% * 61.7117% (1.00 10.00 2.07 7.63) = 61.712% kept T HA THR 118 - QD PHE 59 20.000% * 37.9586% (0.92 10.00 1.33 7.00) = 37.959% kept HA ALA 84 - QD PHE 59 20.000% * 0.2335% (0.81 1.00 0.09 0.02) = 0.234% HB2 TRP 49 - QD PHE 59 20.000% * 0.0602% (0.97 1.00 0.02 0.02) = 0.060% HA2 GLY 109 - QD PHE 59 20.000% * 0.0360% (0.58 1.00 0.02 0.02) = 0.036% Peak 151 (3.32, 7.19, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.94, support = 2.64, residual support = 48.6: O HB2 PHE 59 - QD PHE 59 16.667% * 96.5698% (0.95 10.0 2.71 50.28) = 96.570% kept QB PHE 55 - QD PHE 59 16.667% * 3.2599% (0.68 1.0 0.94 0.02) = 3.260% kept HD3 PRO 68 - QD PHE 59 16.667% * 0.0592% (0.58 1.0 0.02 0.02) = 0.059% HD3 PRO 93 - QD PHE 59 16.667% * 0.0543% (0.53 1.0 0.02 0.02) = 0.054% HB3 CYS 53 - QD PHE 59 16.667% * 0.0320% (0.31 1.0 0.02 0.02) = 0.032% HD2 ARG+ 54 - QD PHE 59 16.667% * 0.0248% (0.24 1.0 0.02 0.02) = 0.025% Peak 152 (3.17, 7.19, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.95, support = 3.03, residual support = 50.3: O HB3 PHE 59 - QD PHE 59 50.000% * 99.9806% (0.95 10.0 3.03 50.28) = 99.981% kept HB3 TRP 49 - QD PHE 59 50.000% * 0.0194% (0.18 1.0 0.02 0.02) = 0.019% Peak 153 (2.35, 7.19, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 2.01, residual support = 24.6: HB2 PRO 58 - QD PHE 59 25.000% * 68.5723% (0.99 2.56 35.64) = 68.572% kept HB3 PHE 97 - QD PHE 59 25.000% * 16.1232% (0.73 0.82 0.50) = 16.123% kept HB2 GLN 116 - QD PHE 59 25.000% * 12.6545% (0.53 0.87 0.46) = 12.654% kept HB2 GLU- 100 - QD PHE 59 25.000% * 2.6500% (0.40 0.25 0.02) = 2.650% kept Peak 154 (1.72, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.926, support = 1.42, residual support = 3.51: T QG1 ILE 56 - QD PHE 59 20.000% * 83.3670% (0.95 10.00 1.43 3.85) = 83.367% kept HB3 LYS+ 99 - QD PHE 59 20.000% * 8.4376% (1.00 1.00 1.38 1.24) = 8.438% kept HB ILE 89 - QD PHE 59 20.000% * 6.2172% (0.73 1.00 1.40 2.79) = 6.217% kept QD LYS+ 99 - QD PHE 59 20.000% * 1.7500% (0.24 1.00 1.17 1.24) = 1.750% kept QD LYS+ 106 - QD PHE 59 20.000% * 0.2282% (0.21 1.00 0.18 0.02) = 0.228% Peak 155 (1.44, 7.19, 131.79 ppm): 11 chemical-shift based assignments, quality = 0.642, support = 1.22, residual support = 7.6: HB3 LEU 115 - QD PHE 59 9.091% * 49.9025% (0.53 2.01 14.99) = 49.902% kept HG LEU 40 - QD PHE 59 9.091% * 19.5625% (0.53 0.79 0.45) = 19.562% kept HG LEU 73 - QD PHE 59 9.091% * 14.7612% (1.00 0.32 0.18) = 14.761% kept QG LYS+ 66 - QD PHE 59 9.091% * 5.6732% (0.95 0.13 0.02) = 5.673% kept HG2 LYS+ 102 - QD PHE 59 9.091% * 4.4014% (0.95 0.10 0.02) = 4.401% kept HB3 LEU 67 - QD PHE 59 9.091% * 2.8449% (0.77 0.08 0.02) = 2.845% kept HG LEU 67 - QD PHE 59 9.091% * 1.4622% (0.40 0.08 0.02) = 1.462% kept QB ALA 61 - QD PHE 59 9.091% * 0.5420% (0.58 0.02 0.62) = 0.542% HG LEU 80 - QD PHE 59 9.091% * 0.3301% (0.35 0.02 0.02) = 0.330% QB ALA 110 - QD PHE 59 9.091% * 0.2932% (0.31 0.02 0.02) = 0.293% HG12 ILE 19 - QD PHE 59 9.091% * 0.2270% (0.24 0.02 0.02) = 0.227% Peak 156 (1.10, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.452, support = 2.11, residual support = 5.34: T HG13 ILE 119 - QD PHE 59 20.000% * 66.6807% (0.28 10.00 3.00 7.63) = 66.681% kept T QG1 VAL 107 - QD PHE 59 20.000% * 27.1718% (0.77 10.00 0.29 0.31) = 27.172% kept HD3 LYS+ 112 - QD PHE 59 20.000% * 5.8322% (0.97 1.00 0.50 2.78) = 5.832% kept QG1 VAL 24 - QD PHE 59 20.000% * 0.2398% (1.00 1.00 0.02 0.02) = 0.240% HB3 LEU 31 - QD PHE 59 20.000% * 0.0755% (0.31 1.00 0.02 0.02) = 0.076% Peak 157 (0.82, 7.19, 131.79 ppm): 3 chemical-shift based assignments, quality = 0.56, support = 0.279, residual support = 0.089: QD2 LEU 123 - QD PHE 59 33.333% * 46.5638% (0.97 0.14 0.02) = 46.564% kept HG3 LYS+ 121 - QD PHE 59 33.333% * 27.1385% (0.24 0.32 0.15) = 27.139% kept HB3 LEU 104 - QD PHE 59 33.333% * 26.2976% (0.16 0.48 0.15) = 26.298% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 158 (0.59, 7.19, 131.79 ppm): 7 chemical-shift based assignments, quality = 0.917, support = 2.27, residual support = 8.61: QD2 LEU 115 - QD PHE 59 14.286% * 57.1478% (0.97 3.37 14.99) = 57.148% kept QD1 LEU 73 - QD PHE 59 14.286% * 15.5091% (0.89 1.00 0.18) = 15.509% kept QD1 LEU 104 - QD PHE 59 14.286% * 12.1862% (0.73 0.96 0.15) = 12.186% kept QD1 LEU 63 - QD PHE 59 14.286% * 9.1876% (0.89 0.59 0.02) = 9.188% kept QD2 LEU 80 - QD PHE 59 14.286% * 5.5677% (0.95 0.34 0.02) = 5.568% kept QD2 LEU 63 - QD PHE 59 14.286% * 0.3275% (0.21 0.09 0.02) = 0.327% QG1 VAL 83 - QD PHE 59 14.286% * 0.0741% (0.21 0.02 0.02) = 0.074% Peak 159 (0.43, 7.19, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 3.0, residual support = 15.0: T QD1 LEU 115 - QD PHE 59 50.000% * 99.9308% (0.77 10.00 3.00 14.99) = 99.931% kept QG1 VAL 75 - QD PHE 59 50.000% * 0.0692% (0.53 1.00 0.02 0.02) = 0.069% Peak 160 (4.14, 7.26, 128.86 ppm): 6 chemical-shift based assignments, quality = 0.657, support = 1.46, residual support = 13.7: T HA LEU 115 - QE PHE 59 16.667% * 91.3666% (0.63 10.00 1.53 14.99) = 91.367% kept HA GLU- 114 - QE PHE 59 16.667% * 8.0465% (1.00 1.00 0.85 0.30) = 8.047% kept HA1 GLY 101 - QE PHE 59 16.667% * 0.1842% (0.97 1.00 0.02 0.02) = 0.184% HA ALA 34 - QE PHE 59 16.667% * 0.1545% (0.81 1.00 0.02 0.02) = 0.155% HA THR 26 - QE PHE 59 16.667% * 0.1377% (0.73 1.00 0.02 0.02) = 0.138% HA ASN 28 - QE PHE 59 16.667% * 0.1104% (0.58 1.00 0.02 0.02) = 0.110% Peak 161 (3.88, 7.26, 128.86 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 1.42, residual support = 6.97: T HB THR 118 - QE PHE 59 20.000% * 99.6353% (0.92 10.00 1.42 7.00) = 99.635% kept QB SER 13 - QE PHE 59 20.000% * 0.1690% (0.28 1.00 0.08 0.02) = 0.169% HA ILE 89 - QE PHE 59 20.000% * 0.0739% (0.49 1.00 0.02 2.79) = 0.074% HB3 SER 37 - QE PHE 59 20.000% * 0.0739% (0.49 1.00 0.02 0.02) = 0.074% HB THR 39 - QE PHE 59 20.000% * 0.0478% (0.31 1.00 0.02 0.02) = 0.048% Peak 162 (2.42, 7.26, 128.86 ppm): 5 chemical-shift based assignments, quality = 0.949, support = 1.14, residual support = 1.82: QE LYS+ 112 - QE PHE 59 20.000% * 62.9161% (1.00 1.54 2.78) = 62.916% kept HB3 PHE 45 - QE PHE 59 20.000% * 22.1210% (1.00 0.54 0.12) = 22.121% kept HB VAL 107 - QE PHE 59 20.000% * 12.2606% (0.73 0.41 0.31) = 12.261% kept HG2 GLU- 29 - QE PHE 59 20.000% * 2.4433% (0.49 0.12 0.02) = 2.443% kept HB3 ASP- 86 - QE PHE 59 20.000% * 0.2589% (0.31 0.02 0.02) = 0.259% Peak 163 (2.27, 7.26, 128.86 ppm): 9 chemical-shift based assignments, quality = 0.842, support = 1.51, residual support = 3.31: HG12 ILE 119 - QE PHE 59 11.111% * 38.7052% (0.63 2.57 7.63) = 38.705% kept HB2 ASP- 44 - QE PHE 59 11.111% * 31.0144% (0.99 1.31 0.67) = 31.014% kept HB3 PHE 72 - QE PHE 59 11.111% * 11.3532% (1.00 0.48 0.02) = 11.353% kept QG GLU- 14 - QE PHE 59 11.111% * 8.6438% (1.00 0.36 0.02) = 8.644% kept QG GLU- 15 - QE PHE 59 11.111% * 7.7123% (0.92 0.35 1.91) = 7.712% kept QG GLN 90 - QE PHE 59 11.111% * 2.2149% (0.97 0.10 0.02) = 2.215% kept QB MET 11 - QE PHE 59 11.111% * 0.1897% (0.40 0.02 0.02) = 0.190% HB2 GLU- 29 - QE PHE 59 11.111% * 0.1017% (0.21 0.02 0.02) = 0.102% HG3 MET 92 - QE PHE 59 11.111% * 0.0647% (0.14 0.02 0.02) = 0.065% Peak 164 (1.11, 7.26, 128.86 ppm): 6 chemical-shift based assignments, quality = 0.745, support = 2.07, residual support = 4.15: HD3 LYS+ 112 - QE PHE 59 16.667% * 45.1173% (0.92 2.12 2.78) = 45.117% kept HG13 ILE 119 - QE PHE 59 16.667% * 37.4463% (0.63 2.57 7.63) = 37.446% kept QG1 VAL 107 - QE PHE 59 16.667% * 11.1041% (0.40 1.21 0.31) = 11.104% kept QG1 VAL 24 - QE PHE 59 16.667% * 5.9563% (0.81 0.32 0.02) = 5.956% kept HB3 LEU 31 - QE PHE 59 16.667% * 0.3135% (0.68 0.02 0.02) = 0.314% QB ALA 20 - QE PHE 59 16.667% * 0.0625% (0.14 0.02 0.02) = 0.062% Peak 165 (0.60, 7.26, 128.86 ppm): 6 chemical-shift based assignments, quality = 0.759, support = 2.01, residual support = 10.4: T QD2 LEU 115 - QE PHE 59 16.667% * 69.1143% (0.81 10.00 2.71 14.99) = 69.114% kept T QD1 LEU 104 - QE PHE 59 16.667% * 12.4367% (1.00 10.00 0.29 0.15) = 12.437% kept T QD1 LEU 63 - QE PHE 59 16.667% * 9.3259% (0.40 10.00 0.55 0.02) = 9.326% kept T QD1 LEU 73 - QE PHE 59 16.667% * 8.7849% (0.40 10.00 0.52 0.18) = 8.785% kept QD2 LEU 80 - QE PHE 59 16.667% * 0.2807% (0.85 1.00 0.08 0.02) = 0.281% QG1 VAL 83 - QE PHE 59 16.667% * 0.0576% (0.68 1.00 0.02 0.02) = 0.058% Peak 166 (0.42, 7.26, 128.86 ppm): 3 chemical-shift based assignments, quality = 0.31, support = 2.54, residual support = 11.0: QD1 LEU 115 - QE PHE 59 33.333% * 72.7371% (0.31 3.14 14.99) = 72.737% kept QB ALA 64 - QE PHE 59 33.333% * 24.3144% (0.31 1.05 0.35) = 24.314% kept QG1 VAL 75 - QE PHE 59 33.333% * 2.9485% (0.16 0.25 0.02) = 2.949% kept Peak 167 (0.24, 7.26, 128.86 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.52, residual support = 7.0: QG2 THR 118 - QE PHE 59 100.000% *100.0000% (0.73 2.52 7.00) = 100.000% kept Peak 168 (7.28, 7.63, 131.92 ppm): 4 chemical-shift based assignments, quality = 0.98, support = 1.03, residual support = 60.0: O QD PHE 60 - QE PHE 60 25.000% * 99.2904% (0.99 10.0 1.04 60.43) = 99.290% kept HN LYS+ 66 - QE PHE 60 25.000% * 0.5473% (0.68 1.0 0.08 0.72) = 0.547% HN LYS+ 81 - QE PHE 60 25.000% * 0.1316% (0.68 1.0 0.02 0.02) = 0.132% QE PHE 59 - QE PHE 60 25.000% * 0.0307% (0.16 1.0 0.02 11.08) = 0.031% Peak 169 (2.26, 7.63, 131.92 ppm): 8 chemical-shift based assignments, quality = 0.77, support = 0.893, residual support = 1.2: HB3 PHE 72 - QE PHE 60 12.500% * 43.4139% (0.81 1.30 2.35) = 43.414% kept QG GLU- 14 - QE PHE 60 12.500% * 22.6080% (0.73 0.76 0.11) = 22.608% kept HB2 ASP- 44 - QE PHE 60 12.500% * 18.3148% (0.68 0.66 0.60) = 18.315% kept HG12 ILE 119 - QE PHE 60 12.500% * 12.0905% (0.97 0.30 0.02) = 12.090% kept QG GLU- 15 - QE PHE 60 12.500% * 1.9995% (0.53 0.09 2.19) = 2.000% kept QG GLN 90 - QE PHE 60 12.500% * 0.7325% (0.89 0.02 0.02) = 0.732% HB2 GLU- 29 - QE PHE 60 12.500% * 0.4786% (0.58 0.02 0.02) = 0.479% HG3 MET 92 - QE PHE 60 12.500% * 0.3623% (0.44 0.02 0.02) = 0.362% Peak 170 (1.38, 7.63, 131.92 ppm): 11 chemical-shift based assignments, quality = 0.923, support = 0.847, residual support = 1.66: HB VAL 42 - QE PHE 60 9.091% * 53.0652% (1.00 1.28 2.67) = 53.065% kept HB2 LYS+ 112 - QE PHE 60 9.091% * 16.8245% (0.89 0.45 0.34) = 16.824% kept HB3 LEU 73 - QE PHE 60 9.091% * 15.8972% (0.97 0.39 0.93) = 15.897% kept HG3 LYS+ 65 - QE PHE 60 9.091% * 8.6963% (1.00 0.21 0.52) = 8.696% kept QB ALA 84 - QE PHE 60 9.091% * 2.2685% (0.14 0.40 0.02) = 2.268% kept HG3 LYS+ 33 - QE PHE 60 9.091% * 0.8281% (1.00 0.02 0.02) = 0.828% HG3 LYS+ 102 - QE PHE 60 9.091% * 0.7892% (0.95 0.02 0.02) = 0.789% HG3 LYS+ 106 - QE PHE 60 9.091% * 0.6410% (0.77 0.02 0.02) = 0.641% QB ALA 12 - QE PHE 60 9.091% * 0.5640% (0.68 0.02 0.02) = 0.564% QB LEU 98 - QE PHE 60 9.091% * 0.2946% (0.35 0.02 0.02) = 0.295% HB3 PRO 93 - QE PHE 60 9.091% * 0.1315% (0.16 0.02 0.02) = 0.132% Peak 171 (0.81, 7.63, 131.92 ppm): 2 chemical-shift based assignments, quality = 0.688, support = 0.61, residual support = 0.6: HG3 LYS+ 121 - QE PHE 60 50.000% * 77.9532% (0.63 0.74 0.76) = 77.953% kept QD2 LEU 123 - QE PHE 60 50.000% * 22.0468% (0.89 0.15 0.02) = 22.047% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 172 (0.39, 7.63, 131.92 ppm): 3 chemical-shift based assignments, quality = 0.578, support = 1.27, residual support = 2.85: QB ALA 64 - QE PHE 60 33.333% * 63.3446% (0.77 1.20 3.41) = 63.345% kept QG1 VAL 42 - QE PHE 60 33.333% * 25.7162% (0.21 1.77 2.67) = 25.716% kept QB ALA 47 - QE PHE 60 33.333% * 10.9392% (0.31 0.51 0.02) = 10.939% kept Peak 173 (2.28, 7.29, 132.36 ppm): 7 chemical-shift based assignments, quality = 0.746, support = 1.51, residual support = 1.45: HB3 PHE 72 - QD PHE 60 14.286% * 39.9972% (0.68 2.39 2.35) = 39.997% kept HB2 ASP- 44 - QD PHE 60 14.286% * 27.6801% (0.81 1.38 0.60) = 27.680% kept QG GLU- 15 - QD PHE 60 14.286% * 15.0716% (0.92 0.66 2.19) = 15.072% kept QG GLU- 14 - QD PHE 60 14.286% * 9.1896% (0.77 0.48 0.11) = 9.190% kept QG GLN 90 - QD PHE 60 14.286% * 6.0505% (0.58 0.42 0.02) = 6.051% kept HG12 ILE 119 - QD PHE 60 14.286% * 1.5889% (0.21 0.30 0.02) = 1.589% kept QB MET 11 - QD PHE 60 14.286% * 0.4222% (0.85 0.02 0.02) = 0.422% Peak 174 (6.98, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.812, support = 3.07, residual support = 78.0: O QE PHE 72 - QD PHE 72 50.000% * 98.8369% (0.81 10.0 3.10 78.89) = 98.837% kept HD22 ASN 28 - QD PHE 72 50.000% * 1.1631% (0.53 1.0 0.36 0.02) = 1.163% kept Peak 175 (7.30, 6.69, 132.41 ppm): 4 chemical-shift based assignments, quality = 0.865, support = 1.72, residual support = 2.02: HN LYS+ 81 - QD PHE 72 25.000% * 62.4309% (0.99 1.84 1.86) = 62.431% kept QD PHE 60 - QD PHE 72 25.000% * 36.5469% (0.68 1.56 2.35) = 36.547% kept HN LYS+ 66 - QD PHE 72 25.000% * 0.6442% (0.16 0.12 0.60) = 0.644% HE3 TRP 27 - QD PHE 72 25.000% * 0.3780% (0.14 0.08 0.02) = 0.378% Peak 176 (7.60, 6.69, 132.41 ppm): 6 chemical-shift based assignments, quality = 0.676, support = 0.845, residual support = 7.61: HN LEU 63 - QD PHE 72 16.667% * 58.4942% (0.73 1.21 12.77) = 58.494% kept HN ILE 56 - QD PHE 72 16.667% * 16.8928% (0.58 0.44 0.83) = 16.893% kept HD21 ASN 28 - QD PHE 72 16.667% * 10.5472% (0.85 0.19 0.02) = 10.547% kept HZ2 TRP 87 - QD PHE 72 16.667% * 8.3250% (0.63 0.20 0.02) = 8.325% kept HN LYS+ 111 - QD PHE 72 16.667% * 5.4966% (0.18 0.45 0.02) = 5.497% kept HN ALA 84 - QD PHE 72 16.667% * 0.2443% (0.18 0.02 0.26) = 0.244% Peak 177 (9.36, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 78.3: HN PHE 72 - QD PHE 72 50.000% * 99.2805% (0.97 5.27 78.89) = 99.280% kept HN LEU 104 - QD PHE 72 50.000% * 0.7195% (0.35 0.10 0.29) = 0.720% Peak 178 (6.70, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.634, support = 2.04, residual support = 78.9: O T HZ PHE 72 - QE PHE 72 33.333% * 53.8173% (0.68 10.0 10.00 1.14 78.89) = 53.817% kept O T QD PHE 72 - QE PHE 72 33.333% * 46.1546% (0.58 10.0 10.00 3.10 78.89) = 46.155% kept QE PHE 45 - QE PHE 72 33.333% * 0.0281% (0.35 1.0 1.00 0.02 0.02) = 0.028% Peak 179 (7.30, 6.99, 130.46 ppm): 4 chemical-shift based assignments, quality = 0.851, support = 1.3, residual support = 1.97: HN LYS+ 81 - QE PHE 72 25.000% * 63.1098% (0.99 1.46 1.86) = 63.110% kept QD PHE 60 - QE PHE 72 25.000% * 32.6738% (0.68 1.10 2.35) = 32.674% kept HN LYS+ 66 - QE PHE 72 25.000% * 4.0978% (0.16 0.59 0.60) = 4.098% kept HE3 TRP 27 - QE PHE 72 25.000% * 0.1186% (0.14 0.02 0.02) = 0.119% Peak 180 (6.99, 6.71, 127.90 ppm): 3 chemical-shift based assignments, quality = 0.996, support = 1.14, residual support = 78.8: O QE PHE 72 - HZ PHE 72 33.333% * 99.8901% (1.00 10.0 1.14 78.89) = 99.890% kept HN ALA 47 - HZ PHE 72 33.333% * 0.0775% (0.44 1.0 0.02 0.02) = 0.078% HD22 ASN 28 - HZ PHE 72 33.333% * 0.0324% (0.18 1.0 0.02 0.02) = 0.032% Peak 181 (5.29, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.854, support = 4.45, residual support = 78.8: HA PHE 72 - QD PHE 72 50.000% * 99.8885% (0.85 4.45 78.89) = 99.888% kept HA MET 96 - QD PHE 72 50.000% * 0.1115% (0.21 0.02 2.41) = 0.112% Peak 182 (4.83, 6.69, 132.41 ppm): 3 chemical-shift based assignments, quality = 0.728, support = 0.688, residual support = 0.756: HA ASP- 78 - QD PHE 72 33.333% * 62.2995% (0.89 0.75 0.90) = 62.300% kept HA THR 23 - QD PHE 72 33.333% * 30.0768% (0.53 0.60 0.34) = 30.077% kept HA LEU 80 - QD PHE 72 33.333% * 7.6237% (0.16 0.52 1.20) = 7.624% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 183 (2.85, 6.69, 132.41 ppm): 3 chemical-shift based assignments, quality = 0.873, support = 3.0, residual support = 41.8: T HA ALA 64 - QD PHE 72 33.333% * 97.0554% (0.89 10.00 3.07 43.05) = 97.055% kept HB3 ASN 35 - QD PHE 72 33.333% * 2.1041% (0.40 1.00 0.97 0.73) = 2.104% kept QE LYS+ 66 - QD PHE 72 33.333% * 0.8405% (0.14 1.00 1.14 0.60) = 0.841% Peak 184 (2.27, 6.69, 132.41 ppm): 9 chemical-shift based assignments, quality = 0.965, support = 4.33, residual support = 77.4: O T HB3 PHE 72 - QD PHE 72 11.111% * 98.0107% (0.97 10.0 10.00 4.41 78.89) = 98.011% kept HG12 ILE 119 - QD PHE 72 11.111% * 1.5429% (0.81 1.0 1.00 0.38 2.61) = 1.543% kept QG GLN 90 - QD PHE 72 11.111% * 0.1006% (1.00 1.0 1.00 0.02 0.02) = 0.101% QG GLU- 14 - QD PHE 72 11.111% * 0.0931% (0.92 1.0 1.00 0.02 0.02) = 0.093% HB2 ASP- 44 - QD PHE 72 11.111% * 0.0899% (0.89 1.0 1.00 0.02 0.02) = 0.090% QG GLU- 15 - QD PHE 72 11.111% * 0.0778% (0.77 1.0 1.00 0.02 0.02) = 0.078% HB2 GLU- 29 - QD PHE 72 11.111% * 0.0358% (0.35 1.0 1.00 0.02 0.02) = 0.036% QB MET 11 - QD PHE 72 11.111% * 0.0246% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG3 MET 92 - QD PHE 72 11.111% * 0.0246% (0.24 1.0 1.00 0.02 0.02) = 0.025% Peak 185 (1.39, 6.69, 132.41 ppm): 12 chemical-shift based assignments, quality = 0.608, support = 1.73, residual support = 7.82: T HB VAL 42 - QD PHE 72 8.333% * 39.5992% (0.73 10.00 0.62 0.89) = 39.599% kept HB3 LEU 73 - QD PHE 72 8.333% * 24.1366% (0.63 1.00 4.38 30.03) = 24.137% kept T HB2 LYS+ 112 - QD PHE 72 8.333% * 17.6935% (0.49 10.00 0.42 0.23) = 17.693% kept HB3 LYS+ 74 - QD PHE 72 8.333% * 9.8553% (0.44 1.00 2.56 1.31) = 9.855% kept HB2 LEU 80 - QD PHE 72 8.333% * 4.1561% (0.24 1.00 1.95 1.20) = 4.156% kept HG3 LYS+ 65 - QD PHE 72 8.333% * 3.8761% (0.73 1.00 0.61 0.02) = 3.876% kept QB ALA 12 - QD PHE 72 8.333% * 0.1727% (0.99 1.00 0.02 0.02) = 0.173% HG3 LYS+ 33 - QD PHE 72 8.333% * 0.1425% (0.81 1.00 0.02 0.02) = 0.142% QB LEU 98 - QD PHE 72 8.333% * 0.1349% (0.77 1.00 0.02 0.02) = 0.135% HG3 LYS+ 102 - QD PHE 72 8.333% * 0.1018% (0.58 1.00 0.02 0.02) = 0.102% HD3 LYS+ 121 - QD PHE 72 8.333% * 0.0694% (0.40 1.00 0.02 0.02) = 0.069% HG3 LYS+ 106 - QD PHE 72 8.333% * 0.0620% (0.35 1.00 0.02 0.02) = 0.062% Peak 186 (1.00, 6.69, 132.41 ppm): 6 chemical-shift based assignments, quality = 0.556, support = 2.15, residual support = 8.91: T QD1 LEU 67 - QD PHE 72 16.667% * 52.0931% (0.28 10.00 1.50 10.72) = 52.093% kept HB VAL 75 - QD PHE 72 16.667% * 38.7385% (0.97 1.00 3.19 8.06) = 38.739% kept QD1 ILE 119 - QD PHE 72 16.667% * 7.8800% (0.40 1.00 1.59 2.61) = 7.880% kept QD2 LEU 40 - QD PHE 72 16.667% * 1.2086% (0.31 1.00 0.31 0.02) = 1.209% kept QG2 ILE 103 - QD PHE 72 16.667% * 0.0460% (0.18 1.00 0.02 0.11) = 0.046% HB2 LEU 104 - QD PHE 72 16.667% * 0.0338% (0.14 1.00 0.02 0.29) = 0.034% Peak 187 (0.79, 6.69, 132.41 ppm): 5 chemical-shift based assignments, quality = 0.909, support = 4.52, residual support = 20.7: QD2 LEU 73 - QD PHE 72 20.000% * 67.8829% (0.92 5.98 30.03) = 67.883% kept QD1 ILE 56 - QD PHE 72 20.000% * 17.8443% (0.99 1.47 0.83) = 17.844% kept HG LEU 31 - QD PHE 72 20.000% * 13.8231% (0.77 1.46 1.21) = 13.823% kept QG1 VAL 41 - QD PHE 72 20.000% * 0.3521% (0.16 0.18 0.02) = 0.352% HG3 LYS+ 121 - QD PHE 72 20.000% * 0.0976% (0.40 0.02 0.02) = 0.098% Peak 188 (0.41, 6.69, 132.41 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 5.77, residual support = 43.0: T QB ALA 64 - QD PHE 72 100.000% *100.0000% (0.73 10.00 5.77 43.05) = 100.000% kept Peak 189 (0.20, 6.69, 132.41 ppm): 1 chemical-shift based assignment, quality = 0.534, support = 3.05, residual support = 33.8: T QG2 VAL 70 - QD PHE 72 100.000% *100.0000% (0.53 10.00 3.05 33.76) = 100.000% kept Peak 190 (2.86, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.401, support = 3.26, residual support = 32.1: T HA ALA 64 - QE PHE 72 33.333% * 74.2385% (0.24 10.00 4.04 43.05) = 74.239% kept QE LYS+ 66 - QE PHE 72 33.333% * 12.9909% (0.73 1.00 1.18 0.60) = 12.991% kept HB3 ASN 35 - QE PHE 72 33.333% * 12.7706% (0.99 1.00 0.85 0.73) = 12.771% kept Peak 191 (2.21, 6.99, 130.46 ppm): 6 chemical-shift based assignments, quality = 0.974, support = 2.66, residual support = 26.6: T HB VAL 70 - QE PHE 72 16.667% * 78.6108% (0.99 10.00 3.25 33.76) = 78.611% kept T QG GLN 17 - QE PHE 72 16.667% * 17.6281% (0.95 10.00 0.47 0.02) = 17.628% kept HB2 MET 96 - QE PHE 72 16.667% * 2.3041% (0.77 1.00 0.75 2.41) = 2.304% kept HB2 GLU- 25 - QE PHE 72 16.667% * 1.4229% (0.85 1.00 0.42 0.02) = 1.423% kept HG2 GLU- 100 - QE PHE 72 16.667% * 0.0194% (0.24 1.00 0.02 0.02) = 0.019% HB3 ASP- 76 - QE PHE 72 16.667% * 0.0147% (0.18 1.00 0.02 0.02) = 0.015% Peak 192 (1.99, 6.99, 130.46 ppm): 7 chemical-shift based assignments, quality = 0.401, support = 1.98, residual support = 8.07: T HB2 LEU 67 - QE PHE 72 14.286% * 73.9607% (0.31 10.00 2.30 10.72) = 73.961% kept HG2 PRO 68 - QE PHE 72 14.286% * 10.0576% (0.73 1.00 1.18 0.46) = 10.058% kept HB ILE 19 - QE PHE 72 14.286% * 9.8654% (0.63 1.00 1.33 0.87) = 9.865% kept HB2 LEU 115 - QE PHE 72 14.286% * 3.9317% (0.77 1.00 0.43 0.10) = 3.932% kept HB3 GLU- 25 - QE PHE 72 14.286% * 1.2773% (0.18 1.00 0.59 0.02) = 1.277% kept QB GLU- 114 - QE PHE 72 14.286% * 0.7160% (0.53 1.00 0.11 0.02) = 0.716% HG3 PRO 58 - QE PHE 72 14.286% * 0.1913% (0.81 1.00 0.02 0.02) = 0.191% Peak 193 (1.41, 6.99, 130.46 ppm): 10 chemical-shift based assignments, quality = 0.751, support = 1.36, residual support = 2.02: HB3 LYS+ 74 - QE PHE 72 10.000% * 31.9324% (0.85 1.72 1.31) = 31.932% kept HG12 ILE 19 - QE PHE 72 10.000% * 19.2425% (0.77 1.15 0.87) = 19.243% kept HG LEU 80 - QE PHE 72 10.000% * 19.0792% (0.63 1.39 1.20) = 19.079% kept HB2 LEU 80 - QE PHE 72 10.000% * 18.5510% (0.99 0.87 1.20) = 18.551% kept HB3 LEU 67 - QE PHE 72 10.000% * 9.1352% (0.24 1.73 10.72) = 9.135% kept QB ALA 61 - QE PHE 72 10.000% * 1.0401% (0.40 0.12 0.02) = 1.040% kept HD3 LYS+ 121 - QE PHE 72 10.000% * 0.3869% (0.89 0.02 0.02) = 0.387% QB ALA 110 - QE PHE 72 10.000% * 0.2948% (0.68 0.02 0.02) = 0.295% QB LEU 98 - QE PHE 72 10.000% * 0.2319% (0.53 0.02 0.02) = 0.232% QB ALA 12 - QE PHE 72 10.000% * 0.1059% (0.24 0.02 0.02) = 0.106% Peak 194 (1.00, 6.99, 130.46 ppm): 6 chemical-shift based assignments, quality = 0.428, support = 2.07, residual support = 7.18: T QD1 LEU 67 - QE PHE 72 16.667% * 46.2707% (0.28 10.00 2.90 10.72) = 46.271% kept T QD1 ILE 119 - QE PHE 72 16.667% * 38.6135% (0.40 10.00 1.17 2.61) = 38.613% kept HB VAL 75 - QE PHE 72 16.667% * 15.0103% (0.97 1.00 1.86 8.06) = 15.010% kept QD2 LEU 40 - QE PHE 72 16.667% * 0.0524% (0.31 1.00 0.02 0.02) = 0.052% QG2 ILE 103 - QE PHE 72 16.667% * 0.0306% (0.18 1.00 0.02 0.11) = 0.031% HB2 LEU 104 - QE PHE 72 16.667% * 0.0225% (0.14 1.00 0.02 0.29) = 0.023% Peak 196 (0.89, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.692, support = 3.06, residual support = 9.79: HB3 LEU 63 - QE PHE 72 33.333% * 76.1583% (0.63 3.82 12.77) = 76.158% kept QG1 VAL 108 - QE PHE 72 33.333% * 20.8560% (0.99 0.67 0.32) = 20.856% kept QD1 LEU 40 - QE PHE 72 33.333% * 2.9857% (0.18 0.51 0.02) = 2.986% kept Peak 197 (0.58, 6.99, 130.46 ppm): 6 chemical-shift based assignments, quality = 0.84, support = 3.12, residual support = 16.6: QD1 LEU 63 - QE PHE 72 16.667% * 37.2008% (0.97 3.63 12.77) = 37.201% kept QD1 LEU 73 - QE PHE 72 16.667% * 29.7895% (0.97 2.90 30.03) = 29.789% kept QD2 LEU 63 - QE PHE 72 16.667% * 22.4201% (0.58 3.65 12.77) = 22.420% kept QD2 LEU 80 - QE PHE 72 16.667% * 6.6448% (0.58 1.08 1.20) = 6.645% kept QD2 LEU 115 - QE PHE 72 16.667% * 3.2132% (0.63 0.48 0.10) = 3.213% kept QD1 LEU 104 - QE PHE 72 16.667% * 0.7317% (0.31 0.22 0.29) = 0.732% Peak 198 (0.38, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.576, support = 4.86, residual support = 42.1: QB ALA 64 - QE PHE 72 33.333% * 97.8270% (0.58 4.96 43.05) = 97.827% kept QG1 VAL 42 - QE PHE 72 33.333% * 1.8435% (0.35 0.15 0.89) = 1.843% kept QB ALA 47 - QE PHE 72 33.333% * 0.3295% (0.49 0.02 0.02) = 0.330% Peak 199 (0.19, 6.99, 130.46 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 4.51, residual support = 33.8: T QG2 VAL 70 - QE PHE 72 100.000% *100.0000% (0.85 10.00 4.51 33.76) = 100.000% kept Peak 200 (2.85, 6.71, 127.90 ppm): 3 chemical-shift based assignments, quality = 0.541, support = 3.07, residual support = 38.8: T HA ALA 64 - HZ PHE 72 33.333% * 89.9632% (0.53 10.00 3.29 43.05) = 89.963% kept HB3 ASN 35 - HZ PHE 72 33.333% * 5.6191% (0.77 1.00 0.86 0.73) = 5.619% kept QE LYS+ 66 - HZ PHE 72 33.333% * 4.4177% (0.40 1.00 1.32 0.60) = 4.418% kept Peak 201 (2.20, 6.71, 127.90 ppm): 5 chemical-shift based assignments, quality = 0.799, support = 2.44, residual support = 22.2: T HB VAL 70 - HZ PHE 72 20.000% * 64.2099% (0.89 10.00 3.25 33.76) = 64.210% kept T HB2 MET 96 - HZ PHE 72 20.000% * 20.4989% (0.40 10.00 1.43 2.41) = 20.499% kept T QG GLN 17 - HZ PHE 72 20.000% * 13.7790% (0.95 10.00 0.40 0.02) = 13.779% kept HB2 GLU- 25 - HZ PHE 72 20.000% * 1.4946% (1.00 1.00 0.42 0.02) = 1.495% kept HB2 LYS+ 38 - HZ PHE 72 20.000% * 0.0176% (0.24 1.00 0.02 0.02) = 0.018% Peak 202 (1.99, 6.71, 127.90 ppm): 7 chemical-shift based assignments, quality = 0.402, support = 1.96, residual support = 8.04: T HB2 LEU 67 - HZ PHE 72 14.286% * 73.6831% (0.31 10.00 2.28 10.72) = 73.683% kept HG2 PRO 68 - HZ PHE 72 14.286% * 10.1471% (0.73 1.00 1.19 0.46) = 10.147% kept HB ILE 19 - HZ PHE 72 14.286% * 9.9704% (0.63 1.00 1.35 0.87) = 9.970% kept HB2 LEU 115 - HZ PHE 72 14.286% * 4.0393% (0.77 1.00 0.45 0.10) = 4.039% kept HB3 GLU- 25 - HZ PHE 72 14.286% * 1.2778% (0.18 1.00 0.59 0.02) = 1.278% kept QB GLU- 114 - HZ PHE 72 14.286% * 0.6917% (0.53 1.00 0.11 0.02) = 0.692% HG3 PRO 58 - HZ PHE 72 14.286% * 0.1906% (0.81 1.00 0.02 0.02) = 0.191% Peak 203 (1.41, 6.71, 127.90 ppm): 10 chemical-shift based assignments, quality = 0.774, support = 1.44, residual support = 1.99: HB3 LYS+ 74 - HZ PHE 72 10.000% * 34.6513% (0.85 1.94 1.31) = 34.651% kept HB2 LEU 80 - HZ PHE 72 10.000% * 22.6106% (0.99 1.10 1.20) = 22.611% kept HG12 ILE 19 - HZ PHE 72 10.000% * 18.2469% (0.77 1.13 0.87) = 18.247% kept HG LEU 80 - HZ PHE 72 10.000% * 14.6301% (0.63 1.11 1.20) = 14.630% kept HB3 LEU 67 - HZ PHE 72 10.000% * 8.7160% (0.24 1.71 10.72) = 8.716% kept HD3 LYS+ 121 - HZ PHE 72 10.000% * 0.3718% (0.89 0.02 0.02) = 0.372% QB ALA 110 - HZ PHE 72 10.000% * 0.2832% (0.68 0.02 0.02) = 0.283% QB LEU 98 - HZ PHE 72 10.000% * 0.2228% (0.53 0.02 0.02) = 0.223% QB ALA 61 - HZ PHE 72 10.000% * 0.1655% (0.40 0.02 0.02) = 0.165% QB ALA 12 - HZ PHE 72 10.000% * 0.1017% (0.24 0.02 0.02) = 0.102% Peak 204 (1.00, 6.71, 127.90 ppm): 6 chemical-shift based assignments, quality = 0.751, support = 2.19, residual support = 7.72: T HB VAL 75 - HZ PHE 72 16.667% * 65.8262% (0.97 10.00 2.41 8.06) = 65.826% kept T QD1 LEU 67 - HZ PHE 72 16.667% * 18.8369% (0.28 10.00 2.28 10.72) = 18.837% kept T QD1 ILE 119 - HZ PHE 72 16.667% * 14.9772% (0.40 10.00 1.11 2.61) = 14.977% kept QD2 LEU 40 - HZ PHE 72 16.667% * 0.3381% (0.31 1.00 0.32 0.02) = 0.338% QG2 ILE 103 - HZ PHE 72 16.667% * 0.0125% (0.18 1.00 0.02 0.11) = 0.012% HB2 LEU 104 - HZ PHE 72 16.667% * 0.0092% (0.14 1.00 0.02 0.29) = 0.009% Peak 205 (0.88, 6.71, 127.90 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 2.48, residual support = 16.6: T HB3 LEU 63 - HZ PHE 72 25.000% * 76.5493% (0.92 10.00 2.65 12.77) = 76.549% kept T QG1 VAL 70 - HZ PHE 72 25.000% * 20.2213% (0.24 10.00 2.15 33.76) = 20.221% kept QG1 VAL 108 - HZ PHE 72 25.000% * 2.2668% (0.77 1.00 0.71 0.32) = 2.267% kept QG1 VAL 18 - HZ PHE 72 25.000% * 0.9626% (0.35 1.00 0.65 0.02) = 0.963% Peak 206 (0.58, 6.71, 127.90 ppm): 6 chemical-shift based assignments, quality = 0.844, support = 2.28, residual support = 17.4: QD1 LEU 73 - HZ PHE 72 16.667% * 34.1767% (0.97 2.47 30.03) = 34.177% kept QD1 LEU 63 - HZ PHE 72 16.667% * 34.1277% (0.97 2.46 12.77) = 34.128% kept QD2 LEU 63 - HZ PHE 72 16.667% * 21.3191% (0.58 2.57 12.77) = 21.319% kept QD2 LEU 80 - HZ PHE 72 16.667% * 5.1790% (0.58 0.62 1.20) = 5.179% kept QD2 LEU 115 - HZ PHE 72 16.667% * 4.2091% (0.63 0.47 0.10) = 4.209% kept QD1 LEU 104 - HZ PHE 72 16.667% * 0.9884% (0.31 0.22 0.29) = 0.988% Peak 207 (0.19, 6.71, 127.90 ppm): 1 chemical-shift based assignment, quality = 0.855, support = 4.8, residual support = 33.8: T QG2 VAL 70 - HZ PHE 72 100.000% *100.0000% (0.85 10.00 4.80 33.76) = 100.000% kept Peak 208 (10.56, 7.75, 128.42 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 1.36, residual support = 63.6: O HE1 TRP 87 - HD1 TRP 87 100.000% *100.0000% (0.97 10.0 1.36 63.60) = 100.000% kept Peak 209 (10.56, 7.61, 114.70 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 1.0, residual support = 63.6: O HE1 TRP 87 - HZ2 TRP 87 50.000% * 99.9953% (0.97 10.0 1.00 63.60) = 99.995% kept HE1 TRP 87 - HN ILE 56 50.000% * 0.0047% (0.02 1.0 0.02 2.55) = 0.005% Peak 210 (7.13, 7.71, 120.66 ppm): 3 chemical-shift based assignments, quality = 0.97, support = 1.03, residual support = 63.5: O T HZ3 TRP 87 - HE3 TRP 87 33.333% * 99.8725% (0.97 10.0 10.00 1.03 63.60) = 99.872% kept QD PHE 97 - HE3 TRP 87 33.333% * 0.1025% (1.00 1.0 1.00 0.02 0.02) = 0.102% HE3 TRP 49 - HE3 TRP 87 33.333% * 0.0251% (0.24 1.0 1.00 0.02 0.02) = 0.025% Peak 211 (7.61, 7.23, 124.80 ppm): 5 chemical-shift based assignments, quality = 0.965, support = 0.986, residual support = 61.8: O HZ2 TRP 87 - HH2 TRP 87 20.000% * 97.1636% (0.99 10.0 1.00 63.60) = 97.164% kept HN LEU 63 - HH2 TRP 87 20.000% * 1.4597% (0.28 1.0 0.53 1.59) = 1.460% kept HN ILE 56 - HH2 TRP 87 20.000% * 1.1157% (0.18 1.0 0.62 2.55) = 1.116% kept HD21 ASN 28 - HH2 TRP 87 20.000% * 0.1912% (0.97 1.0 0.02 0.02) = 0.191% QE PHE 60 - HH2 TRP 87 20.000% * 0.0698% (0.35 1.0 0.02 0.44) = 0.070% Peak 212 (7.22, 7.61, 114.70 ppm): 6 chemical-shift based assignments, quality = 0.853, support = 0.998, residual support = 63.5: O HH2 TRP 87 - HZ2 TRP 87 16.667% * 99.7731% (0.85 10.0 1.00 63.60) = 99.773% kept HN HIS 122 - HZ2 TRP 87 16.667% * 0.1801% (0.77 1.0 0.02 0.02) = 0.180% HN PHE 59 - HZ2 TRP 87 16.667% * 0.0370% (0.16 1.0 0.02 0.11) = 0.037% HH2 TRP 87 - HN ILE 56 16.667% * 0.0047% (0.02 1.0 0.02 2.55) = 0.005% HN HIS 122 - HN ILE 56 16.667% * 0.0042% (0.02 1.0 0.02 0.22) = 0.004% HN PHE 59 - HN ILE 56 16.667% * 0.0009% (0.00 1.0 0.02 3.85) = 0.001% Peak 213 (6.74, 7.61, 114.70 ppm): 2 chemical-shift based assignments, quality = 0.814, support = 0.75, residual support = 5.71: HZ2 TRP 27 - HZ2 TRP 87 50.000% * 99.9372% (0.81 0.75 5.71) = 99.937% kept HZ2 TRP 27 - HN ILE 56 50.000% * 0.0628% (0.02 0.02 0.02) = 0.063% Peak 214 (7.35, 7.13, 121.44 ppm): 6 chemical-shift based assignments, quality = 0.736, support = 0.113, residual support = 0.037: HD2 HIS 22 - HZ3 TRP 87 16.667% * 53.3900% (0.89 0.15 0.02) = 53.390% kept HN THR 23 - HZ3 TRP 87 16.667% * 16.2176% (0.40 0.10 0.02) = 16.218% kept HD21 ASN 35 - HZ3 TRP 87 16.667% * 13.1355% (0.40 0.08 0.15) = 13.136% kept HD1 TRP 49 - HZ3 TRP 87 16.667% * 7.7558% (0.99 0.02 0.02) = 7.756% kept HN LEU 67 - HZ3 TRP 87 16.667% * 6.7156% (0.85 0.02 0.02) = 6.716% kept QE PHE 95 - HZ3 TRP 87 16.667% * 2.7855% (0.35 0.02 0.02) = 2.786% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 215 (8.29, 7.75, 128.42 ppm): 4 chemical-shift based assignments, quality = 0.446, support = 2.18, residual support = 8.55: HN ASP- 86 - HD1 TRP 87 25.000% * 53.9291% (0.24 3.34 15.44) = 53.929% kept HN GLU- 29 - HD1 TRP 87 25.000% * 42.5490% (0.73 0.88 0.52) = 42.549% kept HN GLN 30 - HD1 TRP 87 25.000% * 2.9963% (0.18 0.25 0.02) = 2.996% kept HN VAL 18 - HD1 TRP 87 25.000% * 0.5255% (0.40 0.02 0.02) = 0.526% Peak 216 (-0.01, 7.23, 124.80 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.832, residual support = 1.31: QD1 LEU 31 - HH2 TRP 87 100.000% *100.0000% (0.73 0.83 1.31) = 100.000% kept Peak 217 (0.56, 7.23, 124.80 ppm): 6 chemical-shift based assignments, quality = 0.637, support = 0.787, residual support = 1.09: QD2 LEU 63 - HH2 TRP 87 16.667% * 38.7577% (0.97 0.75 1.59) = 38.758% kept QD1 LEU 63 - HH2 TRP 87 16.667% * 20.9534% (0.31 1.25 1.59) = 20.953% kept QG2 VAL 41 - HH2 TRP 87 16.667% * 17.5900% (0.63 0.52 0.02) = 17.590% kept QD2 LEU 98 - HH2 TRP 87 16.667% * 15.8649% (0.40 0.75 0.82) = 15.865% kept QD1 LEU 73 - HH2 TRP 87 16.667% * 6.4109% (0.31 0.38 0.02) = 6.411% kept QD1 LEU 80 - HH2 TRP 87 16.667% * 0.4231% (0.40 0.02 0.02) = 0.423% Peak 218 (0.72, 7.23, 124.80 ppm): 3 chemical-shift based assignments, quality = 0.674, support = 0.726, residual support = 0.789: QD1 LEU 98 - HH2 TRP 87 33.333% * 95.9917% (0.68 0.76 0.82) = 95.992% kept QD2 LEU 104 - HH2 TRP 87 33.333% * 2.3595% (0.63 0.02 0.02) = 2.360% kept QD1 ILE 19 - HH2 TRP 87 33.333% * 1.6488% (0.44 0.02 0.02) = 1.649% kept Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 220 (3.41, 7.71, 120.66 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 3.41, residual support = 63.5: O T HB2 TRP 87 - HE3 TRP 87 50.000% * 99.9001% (1.00 10.0 10.00 3.41 63.60) = 99.900% kept HB2 PHE 60 - HE3 TRP 87 50.000% * 0.0999% (1.00 1.0 1.00 0.02 0.44) = 0.100% Peak 221 (0.96, 7.71, 120.66 ppm): 5 chemical-shift based assignments, quality = 0.91, support = 0.661, residual support = 0.667: T QD1 ILE 103 - HE3 TRP 87 20.000% * 96.8535% (0.92 10.00 0.67 0.67) = 96.853% kept QG2 ILE 103 - HE3 TRP 87 20.000% * 1.4711% (0.16 1.00 0.60 0.67) = 1.471% kept QG2 ILE 119 - HE3 TRP 87 20.000% * 1.3450% (1.00 1.00 0.09 0.47) = 1.345% kept QD2 LEU 71 - HE3 TRP 87 20.000% * 0.2543% (0.81 1.00 0.02 0.02) = 0.254% HG3 LYS+ 74 - HE3 TRP 87 20.000% * 0.0761% (0.24 1.00 0.02 0.02) = 0.076% Not enough total support, support cutoff is 0.84 Peak unassigned. Peak 222 (4.35, 7.75, 128.42 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 3.45, residual support = 58.1: HA TRP 87 - HD1 TRP 87 33.333% * 91.2929% (0.73 3.75 63.60) = 91.293% kept HA PHE 59 - HD1 TRP 87 33.333% * 8.5209% (0.95 0.27 0.11) = 8.521% kept HA ASP- 113 - HD1 TRP 87 33.333% * 0.1862% (0.28 0.02 0.02) = 0.186% Peak 223 (3.79, 7.75, 128.42 ppm): 5 chemical-shift based assignments, quality = 0.622, support = 2.0, residual support = 3.27: T HA LYS+ 38 - HD1 TRP 87 20.000% * 59.9927% (0.85 10.00 1.00 0.93) = 59.993% kept T HA VAL 83 - HD1 TRP 87 20.000% * 39.2198% (0.28 10.00 3.57 6.92) = 39.220% kept T HA VAL 24 - HD1 TRP 87 20.000% * 0.3440% (0.24 10.00 0.02 0.02) = 0.344% HA GLU- 100 - HD1 TRP 87 20.000% * 0.2770% (0.31 1.00 0.12 0.02) = 0.277% HD2 PRO 58 - HD1 TRP 87 20.000% * 0.1664% (0.21 1.00 0.11 0.02) = 0.166% Peak 224 (3.41, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 2.83, residual support = 46.1: O HB2 TRP 87 - HD1 TRP 87 50.000% * 72.2220% (1.00 10.0 1.00 3.62 63.60) = 72.222% kept T HB2 PHE 60 - HD1 TRP 87 50.000% * 27.7780% (1.00 1.0 10.00 0.77 0.44) = 27.778% kept Peak 225 (2.94, 7.75, 128.42 ppm): 5 chemical-shift based assignments, quality = 0.907, support = 2.35, residual support = 10.0: T HB2 ASP- 86 - HD1 TRP 87 20.000% * 64.5745% (1.00 10.00 3.23 15.44) = 64.575% kept T HB2 ASN 35 - HD1 TRP 87 20.000% * 19.8693% (0.73 10.00 0.84 0.15) = 19.869% kept T HB2 ASN 28 - HD1 TRP 87 20.000% * 15.4555% (0.77 10.00 0.62 0.02) = 15.456% kept QE LYS+ 65 - HD1 TRP 87 20.000% * 0.0598% (0.92 1.00 0.02 0.02) = 0.060% QE LYS+ 33 - HD1 TRP 87 20.000% * 0.0409% (0.63 1.00 0.02 0.02) = 0.041% Peak 226 (2.48, 7.75, 128.42 ppm): 4 chemical-shift based assignments, quality = 0.187, support = 3.22, residual support = 57.7: O HB3 TRP 87 - HD1 TRP 87 25.000% * 90.6580% (0.14 10.0 3.52 63.60) = 90.658% kept HG2 GLU- 36 - HD1 TRP 87 25.000% * 8.9235% (0.73 1.0 0.37 0.02) = 8.923% kept HG3 MET 96 - HD1 TRP 87 25.000% * 0.2953% (0.44 1.0 0.02 0.02) = 0.295% HG3 GLN 116 - HD1 TRP 87 25.000% * 0.1233% (0.18 1.0 0.02 0.02) = 0.123% Peak 227 (0.07, 7.75, 128.42 ppm): 3 chemical-shift based assignments, quality = 0.822, support = 3.36, residual support = 7.42: T QG2 VAL 83 - HD1 TRP 87 33.333% * 86.1266% (0.85 10.00 3.36 6.92) = 86.127% kept QD1 ILE 89 - HD1 TRP 87 33.333% * 10.8686% (0.53 1.00 4.04 13.09) = 10.869% kept QD2 LEU 31 - HD1 TRP 87 33.333% * 3.0049% (0.92 1.00 0.65 1.31) = 3.005% kept Peak 228 (0.62, 7.75, 128.42 ppm): 3 chemical-shift based assignments, quality = 0.898, support = 1.12, residual support = 12.6: T QG2 ILE 89 - HD1 TRP 87 33.333% * 91.3263% (0.92 10.00 1.08 13.09) = 91.326% kept QG1 VAL 83 - HD1 TRP 87 33.333% * 8.6448% (0.63 1.00 1.50 6.92) = 8.645% kept QD1 LEU 104 - HD1 TRP 87 33.333% * 0.0289% (0.16 1.00 0.02 0.02) = 0.029% Peak 229 (0.56, 7.61, 114.70 ppm): 12 chemical-shift based assignments, quality = 0.687, support = 1.09, residual support = 1.21: QD2 LEU 63 - HZ2 TRP 87 8.333% * 47.8504% (0.97 1.14 1.59) = 47.850% kept QD1 LEU 63 - HZ2 TRP 87 8.333% * 23.0680% (0.31 1.69 1.59) = 23.068% kept QG2 VAL 41 - HZ2 TRP 87 8.333% * 16.2959% (0.63 0.60 0.02) = 16.296% kept QD2 LEU 98 - HZ2 TRP 87 8.333% * 8.8472% (0.40 0.52 0.82) = 8.847% kept QD1 LEU 73 - HZ2 TRP 87 8.333% * 3.5340% (0.31 0.26 0.02) = 3.534% kept QD1 LEU 80 - HZ2 TRP 87 8.333% * 0.3429% (0.40 0.02 0.02) = 0.343% QD2 LEU 63 - HN ILE 56 8.333% * 0.0198% (0.02 0.02 0.02) = 0.020% QG2 VAL 41 - HN ILE 56 8.333% * 0.0128% (0.01 0.02 0.02) = 0.013% QD1 LEU 80 - HN ILE 56 8.333% * 0.0081% (0.01 0.02 0.02) = 0.008% QD2 LEU 98 - HN ILE 56 8.333% * 0.0081% (0.01 0.02 0.02) = 0.008% QD1 LEU 63 - HN ILE 56 8.333% * 0.0064% (0.01 0.02 0.02) = 0.006% QD1 LEU 73 - HN ILE 56 8.333% * 0.0064% (0.01 0.02 0.45) = 0.006% Peak 230 (0.03, 7.61, 114.70 ppm): 2 chemical-shift based assignments, quality = 0.223, support = 0.122, residual support = 0.061: QG2 VAL 43 - HZ2 TRP 87 50.000% * 70.0848% (0.31 0.02 0.02) = 70.085% kept QG2 VAL 43 - HN ILE 56 50.000% * 29.9152% (0.01 0.36 0.16) = 29.915% kept Not enough support, support cutoff is 0.42 Peak unassigned. Peak 231 (4.57, 7.11, 121.95 ppm): 6 chemical-shift based assignments, quality = 0.664, support = 1.96, residual support = 41.7: HA TRP 49 - HE3 TRP 49 16.667% * 51.2103% (0.58 2.78 72.15) = 51.210% kept HA CYS 50 - HE3 TRP 49 16.667% * 35.5394% (0.81 1.38 11.23) = 35.539% kept HA ALA 47 - HE3 TRP 49 16.667% * 9.9060% (0.68 0.46 7.56) = 9.906% kept HA CYS 21 - HE3 TRP 49 16.667% * 2.5179% (0.35 0.22 0.02) = 2.518% kept HA1 GLY 109 - HE3 TRP 49 16.667% * 0.4883% (0.77 0.02 0.02) = 0.488% HA VAL 108 - HE3 TRP 49 16.667% * 0.3380% (0.53 0.02 0.02) = 0.338% Peak 232 (7.36, 7.11, 121.95 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 3.12, residual support = 52.7: HD1 TRP 49 - HE3 TRP 49 16.667% * 72.8443% (1.00 3.98 72.15) = 72.844% kept HD2 HIS 22 - HE3 TRP 49 16.667% * 18.2667% (0.97 1.02 0.86) = 18.267% kept HN LEU 67 - HE3 TRP 49 16.667% * 4.1389% (0.73 0.31 0.02) = 4.139% kept QE PHE 95 - HE3 TRP 49 16.667% * 3.0985% (0.24 0.69 0.02) = 3.099% kept HD21 ASN 35 - HE3 TRP 49 16.667% * 1.1543% (0.53 0.12 0.02) = 1.154% kept HN THR 23 - HE3 TRP 49 16.667% * 0.4972% (0.28 0.10 0.02) = 0.497% Peak 233 (7.34, 7.18, 125.21 ppm): 8 chemical-shift based assignments, quality = 0.739, support = 2.57, residual support = 54.3: HD1 TRP 49 - HH2 TRP 49 12.500% * 75.1223% (0.77 3.24 72.15) = 75.122% kept HD2 HIS 22 - HH2 TRP 49 12.500% * 14.5852% (0.58 0.83 0.86) = 14.585% kept QE PHE 95 - HH2 TRP 49 12.500% * 4.4636% (0.68 0.22 0.02) = 4.464% kept HN LEU 67 - HH2 TRP 49 12.500% * 2.8953% (1.00 0.10 0.02) = 2.895% kept HN THR 23 - HH2 TRP 49 12.500% * 2.1509% (0.73 0.10 0.02) = 2.151% kept HD21 ASN 35 - HH2 TRP 49 12.500% * 0.5598% (0.16 0.12 0.02) = 0.560% QD PHE 55 - HH2 TRP 49 12.500% * 0.1278% (0.21 0.02 0.02) = 0.128% HE3 TRP 27 - HH2 TRP 49 12.500% * 0.0952% (0.16 0.02 0.02) = 0.095% Peak 234 (4.57, 7.35, 128.88 ppm): 6 chemical-shift based assignments, quality = 0.677, support = 3.79, residual support = 35.9: HA TRP 49 - HD1 TRP 49 16.667% * 42.1038% (0.58 5.09 72.15) = 42.104% kept HA CYS 50 - HD1 TRP 49 16.667% * 41.1226% (0.81 3.55 11.23) = 41.123% kept HA ALA 47 - HD1 TRP 49 16.667% * 12.0159% (0.68 1.25 7.56) = 12.016% kept HA CYS 21 - HD1 TRP 49 16.667% * 4.3866% (0.35 0.87 0.02) = 4.387% kept HA1 GLY 109 - HD1 TRP 49 16.667% * 0.2193% (0.77 0.02 0.02) = 0.219% HA VAL 108 - HD1 TRP 49 16.667% * 0.1518% (0.53 0.02 0.02) = 0.152% Peak 239 (9.86, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 3.83, residual support = 69.5: HN PHE 95 - QD PHE 95 100.000% *100.0000% (0.49 3.83 69.47) = 100.000% kept Peak 240 (5.96, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.972, support = 3.44, residual support = 69.5: T HA PHE 95 - QD PHE 95 100.000% *100.0000% (0.97 10.00 3.44 69.47) = 100.000% kept Peak 241 (4.29, 7.02, 132.19 ppm): 11 chemical-shift based assignments, quality = 0.715, support = 1.09, residual support = 1.35: HA ASP- 44 - QD PHE 95 9.091% * 47.4960% (0.85 1.61 2.49) = 47.496% kept HA ASP- 86 - QD PHE 95 9.091% * 16.0654% (0.63 0.74 0.31) = 16.065% kept HA ILE 103 - QD PHE 95 9.091% * 15.9970% (0.63 0.74 0.63) = 15.997% kept HA ALA 12 - QD PHE 95 9.091% * 12.1453% (0.68 0.52 0.02) = 12.145% kept HA LEU 104 - QD PHE 95 9.091% * 3.3770% (0.16 0.62 0.26) = 3.377% kept HA SER 85 - QD PHE 95 9.091% * 2.4374% (0.77 0.09 0.02) = 2.437% kept HA GLU- 79 - QD PHE 95 9.091% * 0.8597% (0.21 0.12 0.02) = 0.860% HA MET 11 - QD PHE 95 9.091% * 0.6138% (0.89 0.02 0.02) = 0.614% HB THR 77 - QD PHE 95 9.091% * 0.5315% (0.77 0.02 0.02) = 0.532% HA GLU- 14 - QD PHE 95 9.091% * 0.3679% (0.53 0.02 0.02) = 0.368% HA THR 39 - QD PHE 95 9.091% * 0.1090% (0.16 0.02 0.02) = 0.109% Peak 242 (3.19, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.95, support = 3.0, residual support = 69.5: O T HB2 PHE 95 - QD PHE 95 100.000% *100.0000% (0.95 10.0 10.00 3.00 69.47) = 100.000% kept Peak 243 (2.54, 7.02, 132.19 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 2.93, residual support = 67.5: O T HB3 PHE 95 - QD PHE 95 33.333% * 97.2144% (0.99 10.0 10.00 3.00 69.47) = 97.214% kept HG2 GLN 116 - QD PHE 95 33.333% * 2.7700% (1.00 1.0 1.00 0.56 0.12) = 2.770% kept HG2 GLU- 25 - QD PHE 95 33.333% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 244 (2.40, 7.02, 132.19 ppm): 5 chemical-shift based assignments, quality = 0.862, support = 3.43, residual support = 27.7: T HB VAL 107 - QD PHE 95 20.000% * 94.2479% (0.89 10.00 3.56 29.22) = 94.248% kept HB3 PHE 45 - QD PHE 95 20.000% * 3.0820% (0.40 1.00 1.47 2.00) = 3.082% kept QE LYS+ 112 - QD PHE 95 20.000% * 2.5466% (0.40 1.00 1.21 2.72) = 2.547% kept QG GLN 32 - QD PHE 95 20.000% * 0.0816% (0.77 1.00 0.02 0.02) = 0.082% QG GLU- 79 - QD PHE 95 20.000% * 0.0419% (0.40 1.00 0.02 0.02) = 0.042% Peak 245 (1.36, 7.02, 132.19 ppm): 16 chemical-shift based assignments, quality = 0.564, support = 0.472, residual support = 1.03: HB3 ASP- 44 - QD PHE 95 6.250% * 27.0509% (0.68 0.74 2.49) = 27.051% kept HG3 LYS+ 106 - QD PHE 95 6.250% * 15.0398% (0.49 0.57 0.02) = 15.040% kept HB2 LEU 63 - QD PHE 95 6.250% * 14.0614% (0.53 0.49 0.80) = 14.061% kept HB3 PRO 93 - QD PHE 95 6.250% * 12.8178% (1.00 0.24 0.02) = 12.818% kept HB3 LEU 80 - QD PHE 95 6.250% * 7.9621% (0.40 0.37 0.29) = 7.962% kept HB2 LYS+ 112 - QD PHE 95 6.250% * 7.0512% (0.35 0.37 2.72) = 7.051% kept HB3 LEU 73 - QD PHE 95 6.250% * 4.1594% (0.24 0.32 0.33) = 4.159% kept HB VAL 42 - QD PHE 95 6.250% * 3.2154% (0.18 0.32 0.11) = 3.215% kept HG3 LYS+ 102 - QD PHE 95 6.250% * 3.0635% (0.28 0.20 0.02) = 3.063% kept HG3 LYS+ 65 - QD PHE 95 6.250% * 1.2612% (0.18 0.13 0.02) = 1.261% kept QB ALA 84 - QD PHE 95 6.250% * 1.0774% (1.00 0.02 0.02) = 1.077% kept HG LEU 98 - QD PHE 95 6.250% * 1.0269% (0.95 0.02 0.02) = 1.027% kept QB ALA 124 - QD PHE 95 6.250% * 0.9240% (0.85 0.02 0.02) = 0.924% HG2 LYS+ 111 - QD PHE 95 6.250% * 0.8792% (0.18 0.09 0.02) = 0.879% HB2 LEU 31 - QD PHE 95 6.250% * 0.2636% (0.24 0.02 0.02) = 0.264% HG3 LYS+ 33 - QD PHE 95 6.250% * 0.1463% (0.14 0.02 0.02) = 0.146% Peak 246 (1.15, 7.02, 132.19 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 2.92, residual support = 26.1: T QG2 VAL 107 - QD PHE 95 25.000% * 88.9385% (0.99 10.00 3.12 29.22) = 88.939% kept HG13 ILE 103 - QD PHE 95 25.000% * 4.9945% (0.73 1.00 1.53 0.63) = 4.994% kept HG2 LYS+ 121 - QD PHE 95 25.000% * 4.1695% (0.81 1.00 1.14 0.86) = 4.170% kept QB ALA 20 - QD PHE 95 25.000% * 1.8975% (0.35 1.00 1.19 0.37) = 1.897% kept Peak 247 (0.59, 7.02, 132.19 ppm): 7 chemical-shift based assignments, quality = 0.951, support = 1.24, residual support = 3.25: T QD2 LEU 115 - QD PHE 95 14.286% * 77.6347% (0.99 10.00 1.23 4.03) = 77.635% kept QD1 LEU 63 - QD PHE 95 14.286% * 10.3192% (0.85 1.00 1.89 0.80) = 10.319% kept QD2 LEU 80 - QD PHE 95 14.286% * 4.4282% (0.97 1.00 0.71 0.29) = 4.428% kept QD1 LEU 104 - QD PHE 95 14.286% * 4.0655% (0.77 1.00 0.82 0.26) = 4.066% kept QD1 LEU 73 - QD PHE 95 14.286% * 2.2263% (0.85 1.00 0.41 0.33) = 2.226% kept QD2 LEU 63 - QD PHE 95 14.286% * 1.2949% (0.18 1.00 1.10 0.80) = 1.295% kept QG1 VAL 83 - QD PHE 95 14.286% * 0.0312% (0.24 1.00 0.02 0.02) = 0.031% Peak 248 (0.38, 7.02, 132.19 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 1.2, residual support = 1.02: T QB ALA 47 - QD PHE 95 25.000% * 71.9087% (0.68 10.00 1.36 1.20) = 71.909% kept T QG1 VAL 42 - QD PHE 95 25.000% * 22.2497% (0.53 10.00 0.54 0.11) = 22.250% kept QB ALA 64 - QD PHE 95 25.000% * 5.4419% (0.40 1.00 1.77 2.36) = 5.442% kept HG2 LYS+ 112 - QD PHE 95 25.000% * 0.3997% (0.18 1.00 0.28 2.72) = 0.400% Peak 249 (3.70, 6.83, 120.22 ppm): 7 chemical-shift based assignments, quality = 0.524, support = 2.0, residual support = 3.07: HA ILE 119 - HD2 HIS 122 14.286% * 42.4672% (0.63 2.32 3.90) = 42.467% kept HA THR 118 - HD2 HIS 122 14.286% * 32.8913% (0.44 2.57 3.85) = 32.891% kept HA VAL 75 - HD2 HIS 122 14.286% * 12.0568% (0.44 0.94 1.16) = 12.057% kept HB2 TRP 49 - HD2 HIS 122 14.286% * 8.5450% (0.53 0.55 0.11) = 8.545% kept HA ALA 84 - HD2 HIS 122 14.286% * 3.8406% (0.31 0.42 0.02) = 3.841% kept HD3 PRO 58 - HD2 HIS 122 14.286% * 0.1070% (0.18 0.02 0.02) = 0.107% HA2 GLY 109 - HD2 HIS 122 14.286% * 0.0921% (0.16 0.02 0.02) = 0.092% Peak 250 (3.47, 6.83, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.359, support = 2.78, residual support = 60.0: O T HB2 HIS 122 - HD2 HIS 122 33.333% * 98.6226% (0.35 10.0 10.00 2.82 60.83) = 98.623% kept HA LYS+ 112 - HD2 HIS 122 33.333% * 1.3183% (0.68 1.0 1.00 0.14 0.02) = 1.318% kept HB2 HIS 22 - HD2 HIS 122 33.333% * 0.0591% (0.21 1.0 1.00 0.02 0.02) = 0.059% Peak 251 (2.76, 6.83, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 3.71, residual support = 59.2: O T HB3 HIS 122 - HD2 HIS 122 33.333% * 90.4293% (0.95 10.0 10.00 3.74 60.83) = 90.429% kept QE LYS+ 121 - HD2 HIS 122 33.333% * 9.5287% (0.58 1.0 1.00 3.44 43.70) = 9.529% kept HB3 ASP- 78 - HD2 HIS 122 33.333% * 0.0420% (0.44 1.0 1.00 0.02 0.02) = 0.042% Peak 252 (1.88, 6.83, 120.22 ppm): 13 chemical-shift based assignments, quality = 0.593, support = 0.406, residual support = 0.357: HB3 GLN 30 - HD2 HIS 122 7.692% * 44.1162% (0.89 0.30 0.12) = 44.116% kept HB ILE 103 - HD2 HIS 122 7.692% * 25.5815% (0.16 0.97 1.14) = 25.582% kept HB3 ASP- 105 - HD2 HIS 122 7.692% * 7.9643% (0.21 0.23 0.02) = 7.964% kept QB LYS+ 106 - HD2 HIS 122 7.692% * 6.7076% (0.53 0.08 0.02) = 6.708% kept HB3 LYS+ 38 - HD2 HIS 122 7.692% * 3.3157% (1.00 0.02 0.02) = 3.316% kept HB ILE 56 - HD2 HIS 122 7.692% * 3.2319% (0.97 0.02 0.22) = 3.232% kept HB2 MET 92 - HD2 HIS 122 7.692% * 2.4154% (0.73 0.02 0.02) = 2.415% kept QB LYS+ 81 - HD2 HIS 122 7.692% * 1.6191% (0.49 0.02 0.02) = 1.619% kept HB3 PRO 58 - HD2 HIS 122 7.692% * 1.6191% (0.49 0.02 0.02) = 1.619% kept HB3 GLN 90 - HD2 HIS 122 7.692% * 1.3193% (0.40 0.02 0.02) = 1.319% kept QB LYS+ 33 - HD2 HIS 122 7.692% * 1.0478% (0.31 0.02 0.02) = 1.048% kept HG2 ARG+ 54 - HD2 HIS 122 7.692% * 0.6121% (0.18 0.02 0.02) = 0.612% HG3 PRO 68 - HD2 HIS 122 7.692% * 0.4502% (0.14 0.02 0.02) = 0.450% Not enough support, support cutoff is 0.42 Peak unassigned. Peak 253 (1.67, 6.83, 120.22 ppm): 9 chemical-shift based assignments, quality = 0.751, support = 4.24, residual support = 33.0: HB2 LYS+ 121 - HD2 HIS 122 11.111% * 61.8770% (0.89 5.09 43.70) = 61.877% kept HB2 LEU 123 - HD2 HIS 122 11.111% * 23.2808% (0.40 4.30 25.49) = 23.281% kept QD LYS+ 38 - HD2 HIS 122 11.111% * 8.2085% (1.00 0.60 0.02) = 8.209% kept HD2 LYS+ 74 - HD2 HIS 122 11.111% * 3.4456% (0.24 1.04 0.12) = 3.446% kept QD LYS+ 102 - HD2 HIS 122 11.111% * 2.5079% (0.68 0.27 0.02) = 2.508% kept HB VAL 83 - HD2 HIS 122 11.111% * 0.2650% (0.97 0.02 0.02) = 0.265% QD LYS+ 65 - HD2 HIS 122 11.111% * 0.2518% (0.92 0.02 0.02) = 0.252% HG3 PRO 93 - HD2 HIS 122 11.111% * 0.1202% (0.44 0.02 0.02) = 0.120% HD2 LYS+ 111 - HD2 HIS 122 11.111% * 0.0432% (0.16 0.02 0.02) = 0.043% Peak 254 (1.53, 6.83, 120.22 ppm): 8 chemical-shift based assignments, quality = 0.885, support = 3.4, residual support = 30.2: HB3 LYS+ 121 - HD2 HIS 122 12.500% * 55.5289% (1.00 4.25 43.70) = 55.529% kept HG LEU 104 - HD2 HIS 122 12.500% * 22.0244% (1.00 1.69 0.77) = 22.024% kept HD2 LYS+ 121 - HD2 HIS 122 12.500% * 13.0980% (0.21 4.71 43.70) = 13.098% kept HD3 LYS+ 74 - HD2 HIS 122 12.500% * 7.8566% (0.92 0.65 0.12) = 7.857% kept HB3 LYS+ 111 - HD2 HIS 122 12.500% * 1.2299% (0.95 0.10 0.02) = 1.230% kept QD LYS+ 66 - HD2 HIS 122 12.500% * 0.1652% (0.63 0.02 0.02) = 0.165% HG2 LYS+ 33 - HD2 HIS 122 12.500% * 0.0557% (0.21 0.02 0.02) = 0.056% HG2 LYS+ 65 - HD2 HIS 122 12.500% * 0.0415% (0.16 0.02 0.02) = 0.041% Peak 255 (0.98, 6.83, 120.22 ppm): 7 chemical-shift based assignments, quality = 0.522, support = 1.12, residual support = 1.07: T HB VAL 75 - HD2 HIS 122 14.286% * 71.7229% (0.44 10.00 1.10 1.16) = 71.723% kept QG2 ILE 103 - HD2 HIS 122 14.286% * 12.3346% (0.95 1.00 0.88 1.14) = 12.335% kept HG3 LYS+ 74 - HD2 HIS 122 14.286% * 7.0071% (0.85 1.00 0.55 0.12) = 7.007% kept QD1 ILE 103 - HD2 HIS 122 14.286% * 6.9802% (0.18 1.00 2.56 1.14) = 6.980% kept QD2 LEU 40 - HD2 HIS 122 14.286% * 1.5778% (1.00 1.00 0.11 0.49) = 1.578% kept QD1 LEU 67 - HD2 HIS 122 14.286% * 0.2951% (1.00 1.00 0.02 0.31) = 0.295% QD2 LEU 71 - HD2 HIS 122 14.286% * 0.0823% (0.28 1.00 0.02 0.49) = 0.082% Peak 257 (0.84, 6.83, 120.22 ppm): 5 chemical-shift based assignments, quality = 0.459, support = 3.01, residual support = 18.5: QD1 LEU 123 - HD2 HIS 122 20.000% * 36.8801% (0.35 3.85 25.49) = 36.880% kept QD2 LEU 123 - HD2 HIS 122 20.000% * 34.8560% (0.35 3.64 25.49) = 34.856% kept HB3 LEU 104 - HD2 HIS 122 20.000% * 25.7265% (0.77 1.23 0.77) = 25.726% kept QD1 LEU 71 - HD2 HIS 122 20.000% * 1.8430% (0.35 0.19 0.49) = 1.843% kept QG1 VAL 70 - HD2 HIS 122 20.000% * 0.6944% (0.16 0.16 0.02) = 0.694% Peak 258 (0.24, 6.83, 120.22 ppm): 1 chemical-shift based assignment, quality = 0.582, support = 0.851, residual support = 3.85: T QG2 THR 118 - HD2 HIS 122 100.000% *100.0000% (0.58 10.00 0.85 3.85) = 100.000% kept Peak 259 (-1.01, 8.33, 138.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 260 (1.38, 7.32, 120.14 ppm): 22 chemical-shift based assignments, quality = 0.831, support = 0.78, residual support = 0.755: HB VAL 42 - HE3 TRP 27 4.545% * 38.3090% (0.96 1.12 1.64) = 38.309% kept HG3 LYS+ 102 - HE3 TRP 27 4.545% * 23.2279% (0.88 0.74 0.33) = 23.228% kept HB2 LYS+ 112 - HE3 TRP 27 4.545% * 16.3895% (0.80 0.57 0.25) = 16.389% kept HG3 LYS+ 33 - HE3 TRP 27 4.545% * 11.4881% (0.98 0.33 0.02) = 11.488% kept HG3 LYS+ 65 - HN LEU 67 4.545% * 3.4081% (0.09 1.03 0.15) = 3.408% kept QB LEU 98 - HE3 TRP 27 4.545% * 1.5968% (0.44 0.10 0.02) = 1.597% kept HB3 LYS+ 74 - HE3 TRP 27 4.545% * 1.5510% (0.18 0.24 0.11) = 1.551% kept HB2 LYS+ 112 - HN LEU 67 4.545% * 1.1597% (0.08 0.42 0.02) = 1.160% kept HG3 LYS+ 65 - HE3 TRP 27 4.545% * 0.6819% (0.96 0.02 0.02) = 0.682% HB3 LEU 73 - HE3 TRP 27 4.545% * 0.6479% (0.91 0.02 2.08) = 0.648% QB ALA 12 - HE3 TRP 27 4.545% * 0.5416% (0.76 0.02 0.02) = 0.542% HG3 LYS+ 106 - HE3 TRP 27 4.545% * 0.4765% (0.67 0.02 0.02) = 0.477% HD3 LYS+ 121 - HE3 TRP 27 4.545% * 0.1111% (0.16 0.02 0.02) = 0.111% HG3 LYS+ 33 - HN LEU 67 4.545% * 0.0681% (0.10 0.02 0.02) = 0.068% HB VAL 42 - HN LEU 67 4.545% * 0.0664% (0.09 0.02 0.02) = 0.066% HB3 LEU 73 - HN LEU 67 4.545% * 0.0631% (0.09 0.02 0.02) = 0.063% HG3 LYS+ 102 - HN LEU 67 4.545% * 0.0609% (0.09 0.02 0.02) = 0.061% QB ALA 12 - HN LEU 67 4.545% * 0.0527% (0.07 0.02 0.02) = 0.053% HG3 LYS+ 106 - HN LEU 67 4.545% * 0.0464% (0.07 0.02 0.02) = 0.046% QB LEU 98 - HN LEU 67 4.545% * 0.0301% (0.04 0.02 0.02) = 0.030% HB3 LYS+ 74 - HN LEU 67 4.545% * 0.0126% (0.02 0.02 0.02) = 0.013% HD3 LYS+ 121 - HN LEU 67 4.545% * 0.0108% (0.02 0.02 0.02) = 0.011% Not enough total support, support cutoff is 0.84 Peak unassigned. Peaks: selected : 240 with diagonal assignment : 32 without assignment possibility : 8 with one assignment possibility : 23 with multiple assignment possibilities : 177 with given assignment possibilities : 0 with unique volume contribution : 48 with multiple volume contributions : 152 eliminated by violation filter : 0 Peaks: selected : 240 without assignment : 28 with assignment : 212 with unique assignment : 77 with multiple assignment : 135 with reference assignment : 32 with identical reference assignment : 31 with compatible reference assignment : 1 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 180 Atoms with eliminated volume contribution > 2.5: