- 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 (0.78) 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 (0.07) 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 (0.07) 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 (0.87) 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 (0.10) 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 (0.10) kept Peak 54 (8.17, 8.17, 120.70 ppm): 2 diagonal assignments: * HN THR 118 - HN THR 118 (0.11) kept HN PHE 60 - HN PHE 60 (0.07) 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): 1 diagonal assignment: * HN LEU 67 - HN LEU 67 (1.00) 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 (0.77) kept HN LEU 31 - HN LEU 31 (0.13) 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 (0.70) 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): 1 diagonal assignment: * HN GLN 30 - HN GLN 30 (1.00) 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): 1 diagonal assignment: * HN LYS+ 99 - HN LYS+ 99 (1.00) 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): 1 diagonal assignment: * HN ILE 56 - HN ILE 56 (1.00) 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 (0.21) 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 (0.16) 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 (0.36) kept HE22 GLN 17 - HE22 GLN 17 (0.05) 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 (0.36) 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 (0.91) 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): 2 diagonal assignments: * HN PHE 60 - HN PHE 60 (0.96) kept HN THR 118 - HN THR 118 (0.71) kept Peak 126 (7.87, 7.87, 121.30 ppm): 2 diagonal assignments: * HN ARG+ 54 - HN ARG+ 54 (0.78) kept HN ASP- 62 - HN ASP- 62 (0.04) kept Peak 127 (8.09, 8.09, 121.65 ppm): 2 diagonal assignments: * HN LEU 80 - HN LEU 80 (0.78) kept HN ALA 34 - HN ALA 34 (0.48) 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 (0.06) kept Peak 130 (8.27, 8.27, 122.56 ppm): 1 diagonal assignment: * HN VAL 18 - HN VAL 18 (0.85) kept Peak 131 (8.20, 8.20, 120.98 ppm): 2 diagonal assignments: * HN GLU- 15 - HN GLU- 15 (1.00) kept HN PHE 60 - HN PHE 60 (0.04) 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): 8 chemical-shift based assignments, quality = 0.852, support = 3.22, residual support = 39.2: O HA MET 11 - HN MET 11 12.500% * 93.2936% (0.88 10.0 3.33 41.52) = 93.294% kept HA ALA 12 - HN MET 11 12.500% * 5.2237% (0.49 1.0 2.03 9.56) = 5.224% kept HA GLU- 14 - HN MET 11 12.500% * 1.1377% (0.32 1.0 0.66 0.15) = 1.138% kept HA ASP- 44 - HN MET 11 12.500% * 0.0883% (0.84 1.0 0.02 0.02) = 0.088% HA SER 85 - HN MET 11 12.500% * 0.0768% (0.73 1.0 0.02 0.02) = 0.077% HB THR 77 - HN MET 11 12.500% * 0.0768% (0.73 1.0 0.02 0.02) = 0.077% HA ILE 103 - HN MET 11 12.500% * 0.0577% (0.55 1.0 0.02 0.02) = 0.058% HA ASP- 86 - HN MET 11 12.500% * 0.0454% (0.43 1.0 0.02 0.02) = 0.045% Peak 270 (4.31, 8.37, 125.10 ppm): 5 chemical-shift based assignments, quality = 0.619, support = 2.32, residual support = 11.3: O HA ALA 12 - HN ALA 12 20.000% * 83.5995% (0.71 10.0 2.20 11.97) = 83.599% kept O HA MET 11 - HN ALA 12 20.000% * 14.0277% (0.12 10.0 3.37 9.56) = 14.028% kept HA GLU- 14 - HN ALA 12 20.000% * 1.6575% (0.72 1.0 0.39 0.02) = 1.658% kept HA LEU 104 - HN ALA 12 20.000% * 0.6304% (0.39 1.0 0.27 0.02) = 0.630% HA ASP- 86 - HN ALA 12 20.000% * 0.0849% (0.72 1.0 0.02 0.02) = 0.085% Peak 271 (4.33, 8.24, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.869, support = 0.196, residual support = 0.158: HA TRP 87 - HN SER 13 33.333% * 87.9082% (0.96 0.21 0.18) = 87.908% kept HA PHE 59 - HN SER 13 33.333% * 10.0372% (0.24 0.10 0.02) = 10.037% kept HA LEU 104 - HN SER 13 33.333% * 2.0546% (0.24 0.02 0.02) = 2.055% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 272 (3.87, 8.24, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 1.86, residual support = 4.6: O QB SER 13 - HN SER 13 16.667% * 99.4512% (0.73 10.0 1.87 4.63) = 99.451% kept HA ILE 89 - HN SER 13 16.667% * 0.1397% (0.96 1.0 0.02 0.02) = 0.140% HB3 SER 37 - HN SER 13 16.667% * 0.1397% (0.96 1.0 0.02 0.02) = 0.140% HB THR 118 - HN SER 13 16.667% * 0.1144% (0.78 1.0 0.02 0.02) = 0.114% HB THR 39 - HN SER 13 16.667% * 0.1144% (0.78 1.0 0.02 0.02) = 0.114% HB3 SER 82 - HN SER 13 16.667% * 0.0406% (0.28 1.0 0.02 0.02) = 0.041% Peak 273 (4.43, 8.27, 122.56 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 5.16, residual support = 40.5: O HA GLN 17 - HN VAL 18 25.000% * 98.4847% (0.62 10.0 5.24 41.16) = 98.485% kept HA THR 46 - HN VAL 18 25.000% * 0.7415% (0.50 1.0 0.18 0.94) = 0.742% HA VAL 42 - HN VAL 18 25.000% * 0.6753% (0.77 1.0 0.11 0.02) = 0.675% HA SER 37 - HN VAL 18 25.000% * 0.0985% (0.62 1.0 0.02 0.02) = 0.098% Peak 274 (4.02, 8.27, 122.56 ppm): 5 chemical-shift based assignments, quality = 0.536, support = 1.46, residual support = 1.23: HA VAL 70 - HN VAL 18 20.000% * 54.7224% (0.67 1.61 2.03) = 54.722% kept HA1 GLY 16 - HN VAL 18 20.000% * 18.0583% (0.15 2.34 0.57) = 18.058% kept HA GLN 116 - HN VAL 18 20.000% * 17.6697% (0.67 0.52 0.02) = 17.670% kept HA LYS+ 33 - HN VAL 18 20.000% * 8.9816% (0.26 0.69 0.11) = 8.982% kept HB2 SER 37 - HN VAL 18 20.000% * 0.5681% (0.56 0.02 0.02) = 0.568% Peak 275 (4.41, 8.32, 122.30 ppm): 7 chemical-shift based assignments, quality = 0.641, support = 1.93, residual support = 5.39: O HA SER 13 - HN GLU- 14 14.286% * 91.6615% (0.64 10.0 1.95 5.65) = 91.661% kept HA GLU- 15 - HN GLU- 14 14.286% * 8.0204% (0.64 1.0 1.71 2.66) = 8.020% kept HA PRO 58 - HN GLU- 14 14.286% * 0.0897% (0.61 1.0 0.02 0.02) = 0.090% HA LEU 40 - HN GLU- 14 14.286% * 0.0678% (0.46 1.0 0.02 0.02) = 0.068% HA THR 46 - HN GLU- 14 14.286% * 0.0617% (0.42 1.0 0.02 0.02) = 0.062% HA GLN 17 - HN GLU- 14 14.286% * 0.0495% (0.34 1.0 0.02 0.02) = 0.049% HA SER 37 - HN GLU- 14 14.286% * 0.0495% (0.34 1.0 0.02 0.02) = 0.049% Peak 276 (7.72, 8.66, 110.73 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 0.916, residual support = 0.653: HN ALA 61 - HN GLY 16 25.000% * 90.6356% (0.93 1.00 0.72) = 90.636% kept HE3 TRP 87 - HN GLY 16 25.000% * 6.8728% (0.79 0.09 0.02) = 6.873% kept HN ALA 91 - HN GLY 16 25.000% * 1.7003% (0.88 0.02 0.02) = 1.700% kept HN TRP 27 - HN GLY 16 25.000% * 0.7912% (0.41 0.02 0.02) = 0.791% Peak 277 (8.66, 7.69, 115.83 ppm): 3 chemical-shift based assignments, quality = 0.939, support = 3.46, residual support = 9.28: HN GLY 16 - HN GLN 17 33.333% * 74.0976% (1.00 4.04 12.33) = 74.098% kept HN SER 117 - HN GLN 17 33.333% * 25.7999% (0.78 1.79 0.58) = 25.800% kept HN SER 82 - HN GLN 17 33.333% * 0.1025% (0.28 0.02 0.02) = 0.102% Peak 278 (4.42, 8.66, 110.73 ppm): 7 chemical-shift based assignments, quality = 0.556, support = 2.41, residual support = 7.59: O HA GLU- 15 - HN GLY 16 14.286% * 49.5912% (0.19 10.0 1.61 2.99) = 49.591% kept HA GLN 17 - HN GLY 16 14.286% * 49.5691% (0.93 1.0 3.25 12.33) = 49.569% kept HA SER 37 - HN GLY 16 14.286% * 0.3054% (0.93 1.0 0.02 0.02) = 0.305% HA THR 46 - HN GLY 16 14.286% * 0.2876% (0.88 1.0 0.02 0.02) = 0.288% HA VAL 42 - HN GLY 16 14.286% * 0.1338% (0.41 1.0 0.02 0.02) = 0.134% HA SER 13 - HN GLY 16 14.286% * 0.0617% (0.19 1.0 0.02 0.02) = 0.062% HA PRO 58 - HN GLY 16 14.286% * 0.0512% (0.16 1.0 0.02 0.02) = 0.051% Peak 279 (4.00, 8.66, 110.73 ppm): 10 chemical-shift based assignments, quality = 0.713, support = 0.585, residual support = 0.261: HA VAL 18 - HN GLY 16 10.000% * 44.0691% (0.79 0.71 0.57) = 44.069% kept HA SER 48 - HN GLY 16 10.000% * 38.4870% (0.79 0.62 0.02) = 38.487% kept HA GLN 116 - HN GLY 16 10.000% * 4.1976% (0.16 0.34 0.02) = 4.198% kept HA VAL 70 - HN GLY 16 10.000% * 4.1752% (0.16 0.34 0.02) = 4.175% kept HA ALA 88 - HN GLY 16 10.000% * 2.7642% (0.46 0.08 0.02) = 2.764% kept HA GLN 32 - HN GLY 16 10.000% * 2.6685% (0.41 0.08 0.02) = 2.668% kept HB2 SER 82 - HN GLY 16 10.000% * 1.3710% (0.88 0.02 0.02) = 1.371% kept HA GLU- 29 - HN GLY 16 10.000% * 1.1625% (0.74 0.02 0.02) = 1.162% kept HA LYS+ 33 - HN GLY 16 10.000% * 0.8110% (0.52 0.02 0.02) = 0.811% HD2 PRO 52 - HN GLY 16 10.000% * 0.2939% (0.19 0.02 0.02) = 0.294% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 280 (4.42, 7.69, 115.83 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 4.98, residual support = 67.6: O HA GLN 17 - HN GLN 17 14.286% * 98.1444% (0.98 10.0 5.05 68.85) = 98.144% kept HA GLU- 15 - HN GLN 17 14.286% * 1.5858% (0.20 1.0 1.60 0.16) = 1.586% kept HA SER 37 - HN GLN 17 14.286% * 0.0981% (0.98 1.0 0.02 0.02) = 0.098% HA THR 46 - HN GLN 17 14.286% * 0.0924% (0.92 1.0 0.02 0.02) = 0.092% HA VAL 42 - HN GLN 17 14.286% * 0.0430% (0.43 1.0 0.02 0.02) = 0.043% HA SER 13 - HN GLN 17 14.286% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% HA PRO 58 - HN GLN 17 14.286% * 0.0165% (0.16 1.0 0.02 0.02) = 0.016% Peak 281 (7.45, 6.81, 112.50 ppm): 6 chemical-shift based assignments, quality = 0.687, support = 0.994, residual support = 68.4: O T HE21 GLN 17 - HE22 GLN 17 16.667% * 99.3616% (0.69 10.0 10.00 1.00 68.85) = 99.362% kept T HE21 GLN 17 - HE22 GLN 32 16.667% * 0.4084% (0.28 1.0 10.00 0.02 0.02) = 0.408% HN ALA 124 - HE22 GLN 17 16.667% * 0.0895% (0.62 1.0 1.00 0.02 0.02) = 0.089% HN LEU 123 - HE22 GLN 17 16.667% * 0.0736% (0.51 1.0 1.00 0.02 0.02) = 0.074% HN ALA 124 - HE22 GLN 32 16.667% * 0.0368% (0.26 1.0 1.00 0.02 0.02) = 0.037% HN LEU 123 - HE22 GLN 32 16.667% * 0.0303% (0.21 1.0 1.00 0.02 0.02) = 0.030% Peak 282 (6.82, 7.45, 112.50 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 0.997, residual support = 68.7: O HE22 GLN 17 - HE21 GLN 17 25.000% * 99.7161% (0.55 10.0 1.00 68.85) = 99.716% kept HE22 GLN 116 - HE21 GLN 17 25.000% * 0.1240% (0.34 1.0 0.02 0.37) = 0.124% HD2 HIS 122 - HE21 GLN 17 25.000% * 0.1095% (0.30 1.0 0.02 0.02) = 0.109% HE22 GLN 32 - HE21 GLN 17 25.000% * 0.0504% (0.14 1.0 0.02 0.02) = 0.050% Peak 284 (4.01, 7.69, 115.83 ppm): 7 chemical-shift based assignments, quality = 0.752, support = 2.09, residual support = 13.3: HA VAL 18 - HN GLN 17 14.286% * 30.9216% (0.38 4.00 41.16) = 30.922% kept HA VAL 70 - HN GLN 17 14.286% * 29.3812% (1.00 1.43 1.63) = 29.381% kept HA GLN 116 - HN GLN 17 14.286% * 27.4826% (1.00 1.34 0.37) = 27.483% kept HA LYS+ 33 - HN GLN 17 14.286% * 8.5348% (0.67 0.62 0.02) = 8.535% kept HA GLU- 29 - HN GLN 17 14.286% * 2.1917% (0.43 0.25 0.02) = 2.192% kept HB2 SER 82 - HN GLN 17 14.286% * 1.3910% (0.28 0.24 0.02) = 1.391% kept HB2 SER 37 - HN GLN 17 14.286% * 0.0971% (0.24 0.02 0.02) = 0.097% Peak 288 (5.57, 8.93, 131.32 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.22, residual support = 5.1: HA LEU 73 - HN ILE 19 100.000% *100.0000% (0.73 2.22 5.10) = 100.000% kept Peak 289 (4.01, 8.93, 131.32 ppm): 7 chemical-shift based assignments, quality = 0.543, support = 3.65, residual support = 11.7: O HA VAL 18 - HN ILE 19 14.286% * 71.1094% (0.38 10.0 3.99 15.72) = 71.109% kept HA VAL 70 - HN ILE 19 14.286% * 27.7595% (1.00 1.0 2.94 1.91) = 27.760% kept HA GLN 116 - HN ILE 19 14.286% * 0.8260% (1.00 1.0 0.09 0.02) = 0.826% HA LYS+ 33 - HN ILE 19 14.286% * 0.1264% (0.67 1.0 0.02 0.02) = 0.126% HA GLU- 29 - HN ILE 19 14.286% * 0.0814% (0.43 1.0 0.02 0.02) = 0.081% HB2 SER 82 - HN ILE 19 14.286% * 0.0527% (0.28 1.0 0.02 0.18) = 0.053% HB2 SER 37 - HN ILE 19 14.286% * 0.0447% (0.24 1.0 0.02 0.02) = 0.045% Peak 290 (4.17, 8.93, 131.32 ppm): 4 chemical-shift based assignments, quality = 0.737, support = 5.05, residual support = 96.6: O HA ILE 19 - HN ILE 19 25.000% * 95.8136% (0.73 10.0 5.24 100.87) = 95.814% kept HA CYS 53 - HN ILE 19 25.000% * 4.1057% (1.00 1.0 0.63 0.02) = 4.106% kept HA GLU- 25 - HN ILE 19 25.000% * 0.0495% (0.38 1.0 0.02 0.02) = 0.050% HA THR 26 - HN ILE 19 25.000% * 0.0311% (0.24 1.0 0.02 0.02) = 0.031% Peak 291 (4.17, 8.71, 131.46 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 4.86, residual support = 16.9: O HA ILE 19 - HN ALA 20 33.333% * 99.0583% (0.92 10.0 4.91 17.07) = 99.058% kept HA CYS 53 - HN ALA 20 33.333% * 0.8766% (0.96 1.0 0.17 0.02) = 0.877% HA GLU- 25 - HN ALA 20 33.333% * 0.0651% (0.61 1.0 0.02 0.02) = 0.065% Peak 292 (4.63, 8.71, 131.46 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 2.95, residual support = 10.9: O HA ALA 20 - HN ALA 20 50.000% * 99.9745% (0.92 10.0 2.95 10.93) = 99.974% kept HA LEU 71 - HN ALA 20 50.000% * 0.0255% (0.24 1.0 0.02 0.02) = 0.026% Peak 293 (8.46, 7.93, 121.01 ppm): 8 chemical-shift based assignments, quality = 0.488, support = 1.28, residual support = 0.979: HN LYS+ 74 - HN CYS 21 12.500% * 78.2865% (0.55 1.00 1.58 1.25) = 78.286% kept T HN LYS+ 74 - HN ILE 119 12.500% * 9.8237% (0.12 10.00 0.09 0.02) = 9.824% kept HN THR 46 - HN ILE 119 12.500% * 7.8310% (0.21 1.00 0.41 0.02) = 7.831% kept HN THR 46 - HN CYS 21 12.500% * 1.8173% (1.00 1.00 0.02 0.02) = 1.817% kept HN MET 92 - HN CYS 21 12.500% * 1.6038% (0.88 1.00 0.02 0.02) = 1.604% kept HN MET 92 - HN ILE 119 12.500% * 0.3397% (0.19 1.00 0.02 0.02) = 0.340% HN MET 11 - HN CYS 21 12.500% * 0.2459% (0.14 1.00 0.02 0.02) = 0.246% HN MET 11 - HN ILE 119 12.500% * 0.0521% (0.03 1.00 0.02 0.02) = 0.052% Peak 294 (4.62, 7.93, 121.01 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 3.18, residual support = 14.0: O HA ALA 20 - HN CYS 21 50.000% * 99.9788% (0.88 10.0 3.19 13.99) = 99.979% kept HA ALA 20 - HN ILE 119 50.000% * 0.0212% (0.19 1.0 0.02 0.02) = 0.021% Peak 295 (4.22, 7.86, 120.86 ppm): 3 chemical-shift based assignments, quality = 0.794, support = 3.6, residual support = 38.8: O HA ASP- 62 - HN ASP- 62 33.333% * 99.8413% (0.80 10.0 3.61 38.89) = 99.841% kept HB THR 26 - HN ASP- 62 33.333% * 0.1060% (0.84 1.0 0.02 0.02) = 0.106% HA SER 117 - HN ASP- 62 33.333% * 0.0526% (0.42 1.0 0.02 0.02) = 0.053% Peak 296 (4.37, 7.86, 120.86 ppm): 6 chemical-shift based assignments, quality = 0.309, support = 0.615, residual support = 0.639: HA PHE 59 - HN ASP- 62 16.667% * 51.2978% (0.28 0.75 1.23) = 51.298% kept HA ILE 56 - HN ASP- 62 16.667% * 39.5387% (0.28 0.58 0.02) = 39.539% kept HA ASP- 113 - HN ASP- 62 16.667% * 4.1925% (0.86 0.02 0.02) = 4.193% kept HA LYS+ 99 - HN ASP- 62 16.667% * 2.5557% (0.52 0.02 0.02) = 2.556% kept HA ASN 35 - HN ASP- 62 16.667% * 1.5814% (0.32 0.02 0.02) = 1.581% kept HA LEU 123 - HN ASP- 62 16.667% * 0.8339% (0.17 0.02 0.02) = 0.834% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 297 (7.32, 9.10, 120.75 ppm): 4 chemical-shift based assignments, quality = 0.443, support = 2.9, residual support = 14.2: HN THR 23 - HN HIS 22 25.000% * 96.3075% (0.43 3.01 14.71) = 96.308% kept QD PHE 55 - HN HIS 22 25.000% * 1.4834% (1.00 0.02 0.02) = 1.483% kept HE3 TRP 27 - HN HIS 22 25.000% * 1.4834% (1.00 0.02 0.02) = 1.483% kept QE PHE 95 - HN HIS 22 25.000% * 0.7257% (0.49 0.02 0.02) = 0.726% Peak 298 (4.62, 9.10, 120.75 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 1.08, residual support = 2.12: HA ALA 20 - HN HIS 22 100.000% *100.0000% (0.88 1.08 2.12) = 100.000% kept Peak 299 (8.11, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 2.88, residual support = 7.21: T HN THR 26 - HN THR 23 50.000% * 99.9353% (0.43 10.00 2.88 7.21) = 99.935% kept HN CYS 53 - HN THR 23 50.000% * 0.0647% (0.28 1.00 0.02 0.02) = 0.065% Peak 300 (9.10, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 2.93, residual support = 14.2: T HN HIS 22 - HN THR 23 50.000% * 96.7880% (0.98 10.00 3.01 14.71) = 96.788% kept HN ASP- 76 - HN THR 23 50.000% * 3.2120% (0.88 1.00 0.74 0.10) = 3.212% kept Peak 301 (8.78, 9.21, 123.27 ppm): 3 chemical-shift based assignments, quality = 0.942, support = 6.6, residual support = 30.7: T HN GLU- 25 - HN VAL 24 33.333% * 98.3099% (0.96 10.00 6.68 31.01) = 98.310% kept HN ASN 28 - HN VAL 24 33.333% * 1.5893% (0.14 1.00 2.28 10.78) = 1.589% kept HN ASP- 44 - HN VAL 24 33.333% * 0.1008% (0.98 1.00 0.02 0.02) = 0.101% Peak 302 (9.21, 8.78, 120.28 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 6.68, residual support = 31.0: T HN VAL 24 - HN GLU- 25 100.000% *100.0000% (1.00 10.00 6.68 31.01) = 100.000% kept Peak 303 (8.12, 8.78, 120.28 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 21.5: T HN THR 26 - HN GLU- 25 100.000% *100.0000% (0.92 10.00 5.13 21.51) = 100.000% kept Peak 304 (8.78, 8.12, 116.43 ppm): 3 chemical-shift based assignments, quality = 0.941, support = 4.98, residual support = 20.6: T HN GLU- 25 - HN THR 26 33.333% * 95.8383% (0.96 10.00 5.13 21.51) = 95.838% kept HN ASP- 44 - HN THR 26 33.333% * 2.2323% (0.98 1.00 0.45 0.02) = 2.232% kept HN ASN 28 - HN THR 26 33.333% * 1.9293% (0.14 1.00 2.84 0.39) = 1.929% kept Peak 305 (7.74, 8.12, 116.43 ppm): 5 chemical-shift based assignments, quality = 0.962, support = 3.03, residual support = 16.3: HN TRP 27 - HN THR 26 20.000% * 97.4967% (0.98 3.11 16.73) = 97.497% kept HN THR 39 - HN THR 26 20.000% * 1.6717% (0.38 0.14 0.02) = 1.672% kept HN ALA 91 - HN THR 26 20.000% * 0.3493% (0.55 0.02 0.02) = 0.349% HN ALA 61 - HN THR 26 20.000% * 0.2747% (0.43 0.02 0.02) = 0.275% HD1 TRP 87 - HN THR 26 20.000% * 0.2076% (0.32 0.02 0.02) = 0.208% Peak 306 (7.34, 8.12, 116.43 ppm): 7 chemical-shift based assignments, quality = 0.774, support = 2.46, residual support = 7.3: HN THR 23 - HN THR 26 14.286% * 69.4348% (0.92 2.88 7.21) = 69.435% kept HE3 TRP 27 - HN THR 26 14.286% * 13.5678% (0.20 2.62 16.73) = 13.568% kept HN LEU 67 - HN THR 26 14.286% * 11.8778% (0.84 0.54 0.15) = 11.878% kept HD2 HIS 22 - HN THR 26 14.286% * 4.3436% (0.16 1.01 0.02) = 4.344% kept QE PHE 95 - HN THR 26 14.286% * 0.4611% (0.88 0.02 0.02) = 0.461% HD1 TRP 49 - HN THR 26 14.286% * 0.1696% (0.32 0.02 0.02) = 0.170% QD PHE 55 - HN THR 26 14.286% * 0.1453% (0.28 0.02 0.02) = 0.145% Peak 307 (7.32, 7.73, 123.24 ppm): 8 chemical-shift based assignments, quality = 0.874, support = 4.39, residual support = 71.1: HE3 TRP 27 - HN TRP 27 12.500% * 79.1149% (1.00 4.90 89.72) = 79.115% kept HN THR 23 - HN TRP 27 12.500% * 18.8784% (0.43 2.71 0.57) = 18.878% kept QE PHE 95 - HN TRP 27 12.500% * 1.2222% (0.49 0.15 0.02) = 1.222% kept QD PHE 55 - HN ALA 91 12.500% * 0.4003% (0.10 0.25 0.02) = 0.400% QD PHE 55 - HN TRP 27 12.500% * 0.3230% (1.00 0.02 0.02) = 0.323% HE3 TRP 27 - HN ALA 91 12.500% * 0.0319% (0.10 0.02 0.02) = 0.032% QE PHE 95 - HN ALA 91 12.500% * 0.0156% (0.05 0.02 0.02) = 0.016% HN THR 23 - HN ALA 91 12.500% * 0.0138% (0.04 0.02 0.02) = 0.014% Peak 308 (8.12, 7.73, 123.24 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 3.11, residual support = 16.7: T HN THR 26 - HN TRP 27 50.000% * 99.9014% (0.92 10.00 3.11 16.73) = 99.901% kept T HN THR 26 - HN ALA 91 50.000% * 0.0986% (0.09 10.00 0.02 0.02) = 0.099% Peak 309 (8.62, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.751, support = 1.83, residual support = 4.38: T HN GLN 90 - HN TRP 27 16.667% * 83.5508% (0.88 10.00 1.02 0.96) = 83.551% kept T HN GLN 90 - HN ALA 91 16.667% * 16.1370% (0.09 10.00 6.08 22.13) = 16.137% kept HN ILE 103 - HN TRP 27 16.667% * 0.1853% (1.00 1.00 0.02 0.02) = 0.185% HN ILE 103 - HN ALA 91 16.667% * 0.0789% (0.10 1.00 0.09 0.02) = 0.079% HN GLY 109 - HN TRP 27 16.667% * 0.0437% (0.24 1.00 0.02 0.02) = 0.044% HN GLY 109 - HN ALA 91 16.667% * 0.0043% (0.02 1.00 0.02 0.02) = 0.004% Peak 310 (8.80, 7.73, 123.24 ppm): 4 chemical-shift based assignments, quality = 0.971, support = 4.79, residual support = 30.5: T HN ASN 28 - HN TRP 27 25.000% * 99.0646% (0.98 10.00 4.84 30.81) = 99.065% kept HN ASN 69 - HN TRP 27 25.000% * 0.8357% (0.20 1.00 0.84 0.02) = 0.836% T HN ASN 28 - HN ALA 91 25.000% * 0.0977% (0.10 10.00 0.02 0.02) = 0.098% HN ASN 69 - HN ALA 91 25.000% * 0.0020% (0.02 1.00 0.02 0.02) = 0.002% Peak 311 (7.18, 10.20, 129.00 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 1.71, residual support = 87.0: O HD1 TRP 27 - HE1 TRP 27 25.000% * 96.9227% (0.55 10.0 1.75 89.72) = 96.923% kept HE21 GLN 30 - HE1 TRP 27 25.000% * 2.2256% (0.98 1.0 0.22 0.02) = 2.226% kept HH2 TRP 49 - HE1 TRP 27 25.000% * 0.7412% (0.96 1.0 0.08 0.02) = 0.741% QD PHE 59 - HE1 TRP 27 25.000% * 0.1105% (0.55 1.0 0.02 0.02) = 0.110% Peak 312 (6.73, 10.20, 129.00 ppm): 2 chemical-shift based assignments, quality = 0.166, support = 1.6, residual support = 86.4: O HZ2 TRP 27 - HE1 TRP 27 50.000% * 96.3007% (0.16 10.0 1.64 89.72) = 96.301% kept HZ PHE 72 - HE1 TRP 27 50.000% * 3.6993% (0.20 1.0 0.52 0.26) = 3.699% kept Peak 313 (8.30, 8.80, 115.33 ppm): 3 chemical-shift based assignments, quality = 0.924, support = 4.74, residual support = 14.9: T HN GLU- 29 - HN ASN 28 33.333% * 91.0933% (0.96 10.00 4.91 16.10) = 91.093% kept HN GLN 30 - HN ASN 28 33.333% * 8.8375% (0.61 1.00 3.06 2.78) = 8.838% kept HN ASP- 86 - HN ASN 28 33.333% * 0.0692% (0.73 1.00 0.02 0.02) = 0.069% Peak 314 (7.74, 8.80, 115.33 ppm): 5 chemical-shift based assignments, quality = 0.915, support = 4.45, residual support = 27.7: HN TRP 27 - HN ASN 28 20.000% * 90.0001% (0.98 4.84 30.81) = 90.000% kept HD1 TRP 87 - HN ASN 28 20.000% * 7.1740% (0.32 1.16 0.14) = 7.174% kept HN THR 39 - HN ASN 28 20.000% * 2.4555% (0.38 0.34 0.02) = 2.456% kept HN ALA 91 - HN ASN 28 20.000% * 0.2073% (0.55 0.02 0.02) = 0.207% HN ALA 61 - HN ASN 28 20.000% * 0.1631% (0.43 0.02 0.02) = 0.163% Peak 315 (7.17, 8.80, 115.33 ppm): 2 chemical-shift based assignments, quality = 0.571, support = 0.296, residual support = 2.54: HE21 GLN 30 - HN ASN 28 50.000% * 91.3199% (0.55 0.32 2.78) = 91.320% kept HH2 TRP 49 - HN ASN 28 50.000% * 8.6801% (0.84 0.02 0.02) = 8.680% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 316 (6.96, 8.80, 115.33 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 4.66, residual support = 87.8: HD22 ASN 28 - HN ASN 28 100.000% *100.0000% (0.84 4.66 87.83) = 100.000% kept Peak 317 (6.97, 7.61, 111.81 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 2.58, residual support = 87.8: O HD22 ASN 28 - HD21 ASN 28 50.000% * 99.9828% (0.96 10.0 2.58 87.83) = 99.983% kept QE PHE 72 - HD21 ASN 28 50.000% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 318 (4.18, 7.61, 111.81 ppm): 4 chemical-shift based assignments, quality = 0.98, support = 1.06, residual support = 4.04: HA GLU- 25 - HD21 ASN 28 25.000% * 97.0454% (1.00 1.09 4.16) = 97.045% kept HA ILE 19 - HD21 ASN 28 25.000% * 1.5829% (0.88 0.02 0.02) = 1.583% kept HA CYS 53 - HD21 ASN 28 25.000% * 0.8730% (0.49 0.02 0.02) = 0.873% HA SER 82 - HD21 ASN 28 25.000% * 0.4987% (0.28 0.02 0.02) = 0.499% Peak 319 (4.14, 8.80, 115.33 ppm): 6 chemical-shift based assignments, quality = 0.645, support = 4.64, residual support = 78.7: O HA ASN 28 - HN ASN 28 16.667% * 89.5315% (0.67 10.0 4.88 87.83) = 89.532% kept HA THR 26 - HN ASN 28 16.667% * 8.1680% (0.38 1.0 3.24 0.39) = 8.168% kept HA GLU- 114 - HN ASN 28 16.667% * 1.9455% (0.88 1.0 0.33 0.02) = 1.946% kept HA1 GLY 101 - HN ASN 28 16.667% * 0.1336% (1.00 1.0 0.02 0.02) = 0.134% HA ALA 34 - HN ASN 28 16.667% * 0.1239% (0.92 1.0 0.02 0.02) = 0.124% HA LEU 115 - HN ASN 28 16.667% * 0.0975% (0.73 1.0 0.02 0.58) = 0.097% Peak 320 (4.50, 7.73, 123.24 ppm): 8 chemical-shift based assignments, quality = 0.863, support = 5.01, residual support = 83.2: O HA TRP 27 - HN TRP 27 12.500% * 91.8339% (0.92 10.0 5.21 89.72) = 91.834% kept O HA ALA 91 - HN ALA 91 12.500% * 5.9534% (0.06 10.0 3.51 13.61) = 5.953% kept HA ALA 91 - HN TRP 27 12.500% * 1.9596% (0.61 1.0 0.65 0.02) = 1.960% kept HA TRP 27 - HN ALA 91 12.500% * 0.1650% (0.09 1.0 0.36 0.02) = 0.165% HA PRO 52 - HN TRP 27 12.500% * 0.0427% (0.43 1.0 0.02 0.02) = 0.043% HA VAL 107 - HN TRP 27 12.500% * 0.0373% (0.38 1.0 0.02 0.29) = 0.037% HA PRO 52 - HN ALA 91 12.500% * 0.0042% (0.04 1.0 0.02 0.02) = 0.004% HA VAL 107 - HN ALA 91 12.500% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% Peak 321 (4.22, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.974, support = 4.21, residual support = 15.8: HB THR 26 - HN TRP 27 16.667% * 94.6337% (0.98 4.44 16.73) = 94.634% kept HA ASP- 62 - HN TRP 27 16.667% * 5.0520% (0.92 0.25 0.02) = 5.052% kept HA SER 117 - HN TRP 27 16.667% * 0.2117% (0.49 0.02 0.02) = 0.212% HB THR 26 - HN ALA 91 16.667% * 0.0421% (0.10 0.02 0.02) = 0.042% HA ASP- 62 - HN ALA 91 16.667% * 0.0396% (0.09 0.02 0.02) = 0.040% HA SER 117 - HN ALA 91 16.667% * 0.0209% (0.05 0.02 0.02) = 0.021% 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): 2 chemical-shift based assignments, quality = 0.277, support = 4.77, residual support = 21.4: O HA GLU- 25 - HN THR 26 50.000% * 99.6434% (0.28 10.0 4.79 21.51) = 99.643% kept HA SER 82 - HN THR 26 50.000% * 0.3566% (1.00 1.0 0.02 0.02) = 0.357% Peak 324 (4.82, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.831, support = 2.6, residual support = 4.54: HA THR 23 - HN GLU- 25 25.000% * 79.6285% (0.96 2.77 4.71) = 79.629% kept HB THR 23 - HN GLU- 25 25.000% * 16.6196% (0.24 2.35 4.71) = 16.620% kept HA ASP- 78 - HN GLU- 25 25.000% * 3.4938% (0.88 0.13 0.02) = 3.494% kept HA LEU 80 - HN GLU- 25 25.000% * 0.2581% (0.43 0.02 0.02) = 0.258% Peak 325 (4.19, 8.78, 120.28 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 5.82, residual support = 113.9: O HA GLU- 25 - HN GLU- 25 33.333% * 99.8408% (0.73 10.0 5.83 114.09) = 99.841% kept HA SER 82 - HN GLU- 25 33.333% * 0.1076% (0.78 1.0 0.02 0.02) = 0.108% HA ILE 19 - HN GLU- 25 33.333% * 0.0516% (0.38 1.0 0.02 0.02) = 0.052% Peak 326 (4.83, 9.21, 123.27 ppm): 2 chemical-shift based assignments, quality = 0.492, support = 4.08, residual support = 13.4: O HA THR 23 - HN VAL 24 50.000% * 98.9041% (0.49 10.0 4.13 13.55) = 98.904% kept HA ASP- 78 - HN VAL 24 50.000% * 1.0959% (0.92 1.0 0.12 0.02) = 1.096% kept Peak 327 (4.80, 7.33, 104.59 ppm): 4 chemical-shift based assignments, quality = 0.797, support = 2.25, residual support = 8.47: O HB THR 23 - HN THR 23 25.000% * 70.4885% (1.00 10.0 1.57 8.49) = 70.489% kept O HA THR 23 - HN THR 23 25.000% * 29.3561% (0.32 10.0 3.89 8.49) = 29.356% kept HA LEU 80 - HN THR 23 25.000% * 0.0798% (0.88 1.0 0.02 0.15) = 0.080% HA ASP- 105 - HN THR 23 25.000% * 0.0755% (0.84 1.0 0.02 0.02) = 0.076% Peak 328 (4.64, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.489, support = 1.98, residual support = 2.21: HA ALA 20 - HN THR 23 50.000% * 98.6499% (0.49 2.00 2.24) = 98.650% kept HA LEU 71 - HN THR 23 50.000% * 1.3501% (0.67 0.02 0.02) = 1.350% kept Peak 329 (4.22, 7.33, 104.59 ppm): 3 chemical-shift based assignments, quality = 0.959, support = 2.06, residual support = 6.07: HB THR 26 - HN THR 23 33.333% * 84.1641% (0.98 2.38 7.21) = 84.164% kept HA ASP- 62 - HN THR 23 33.333% * 13.1226% (0.92 0.39 0.02) = 13.123% kept HA SER 117 - HN THR 23 33.333% * 2.7133% (0.49 0.15 0.02) = 2.713% kept Peak 330 (7.61, 6.97, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 2.55, residual support = 86.6: O HD21 ASN 28 - HD22 ASN 28 33.333% * 98.6062% (0.96 10.0 2.58 87.83) = 98.606% kept HZ2 TRP 87 - HD22 ASN 28 33.333% * 1.3733% (0.98 1.0 0.27 0.14) = 1.373% kept QE PHE 60 - HD22 ASN 28 33.333% * 0.0204% (0.20 1.0 0.02 0.02) = 0.020% Peak 331 (8.79, 8.29, 121.00 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 4.85, residual support = 15.9: T HN ASN 28 - HN GLU- 29 33.333% * 98.7214% (0.55 10.00 4.91 16.10) = 98.721% kept HN GLU- 25 - HN GLU- 29 33.333% * 0.9040% (0.49 1.00 0.21 0.02) = 0.904% HN ASP- 44 - HN GLU- 29 33.333% * 0.3745% (0.55 1.00 0.08 0.02) = 0.375% Peak 332 (7.84, 8.31, 118.54 ppm): 4 chemical-shift based assignments, quality = 0.772, support = 3.33, residual support = 10.8: T HN PHE 55 - HN GLN 30 25.000% * 65.4470% (0.92 10.00 2.09 2.17) = 65.447% kept T HN LEU 31 - HN GLN 30 25.000% * 34.5097% (0.49 10.00 5.68 27.30) = 34.510% kept HN ASP- 62 - HN GLN 30 25.000% * 0.0266% (0.38 1.00 0.02 0.02) = 0.027% HN ALA 88 - HN GLN 30 25.000% * 0.0167% (0.24 1.00 0.02 0.02) = 0.017% Peak 334 (7.85, 8.06, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.913, support = 4.72, residual support = 32.3: T HN LEU 31 - HN GLN 32 25.000% * 92.5882% (0.96 10.00 5.00 34.90) = 92.588% kept HN ARG+ 54 - HN GLN 32 25.000% * 3.8997% (0.38 1.00 2.15 0.02) = 3.900% kept T HN PHE 55 - HN GLN 32 25.000% * 3.0504% (0.43 10.00 0.15 0.02) = 3.050% kept HN ASP- 62 - HN GLN 32 25.000% * 0.4617% (0.88 1.00 0.11 0.02) = 0.462% Peak 335 (6.81, 7.57, 112.27 ppm): 3 chemical-shift based assignments, quality = 0.723, support = 0.98, residual support = 33.0: O T HE22 GLN 32 - HE21 GLN 32 33.333% * 97.9734% (0.73 10.0 10.00 1.00 33.72) = 97.973% kept T HE22 GLN 17 - HE21 GLN 32 33.333% * 1.2898% (0.96 1.0 10.00 0.02 0.02) = 1.290% kept T HE22 GLN 90 - HE21 GLN 32 33.333% * 0.7368% (0.55 1.0 10.00 0.02 0.02) = 0.737% Peak 336 (7.58, 6.80, 112.28 ppm): 15 chemical-shift based assignments, quality = 0.655, support = 0.982, residual support = 33.1: O T HE21 GLN 32 - HE22 GLN 32 6.667% * 98.2036% (0.67 10.0 10.00 1.00 33.72) = 98.204% kept HN ALA 84 - HE22 GLN 32 6.667% * 0.5635% (0.98 1.0 1.00 0.08 0.02) = 0.564% T HE21 GLN 32 - HE22 GLN 90 6.667% * 0.3650% (0.25 1.0 10.00 0.02 0.02) = 0.365% HN ALA 84 - HE22 GLN 90 6.667% * 0.2381% (0.36 1.0 1.00 0.09 0.02) = 0.238% HN LEU 63 - HE22 GLN 32 6.667% * 0.1966% (0.32 1.0 1.00 0.08 0.02) = 0.197% HN LYS+ 111 - HE22 GLN 32 6.667% * 0.1443% (0.98 1.0 1.00 0.02 0.02) = 0.144% T HE21 GLN 32 - HE22 GLN 17 6.667% * 0.0841% (0.06 1.0 10.00 0.02 0.02) = 0.084% HN ILE 56 - HE22 GLN 32 6.667% * 0.0717% (0.49 1.0 1.00 0.02 0.02) = 0.072% HN LYS+ 111 - HE22 GLN 90 6.667% * 0.0536% (0.36 1.0 1.00 0.02 0.02) = 0.054% HN ILE 56 - HE22 GLN 90 6.667% * 0.0266% (0.18 1.0 1.00 0.02 0.91) = 0.027% HN LEU 63 - HE22 GLN 90 6.667% * 0.0178% (0.12 1.0 1.00 0.02 0.02) = 0.018% HN LYS+ 111 - HE22 GLN 17 6.667% * 0.0124% (0.08 1.0 1.00 0.02 0.02) = 0.012% HN ALA 84 - HE22 GLN 17 6.667% * 0.0124% (0.08 1.0 1.00 0.02 0.02) = 0.012% HN ILE 56 - HE22 GLN 17 6.667% * 0.0061% (0.04 1.0 1.00 0.02 0.02) = 0.006% HN LEU 63 - HE22 GLN 17 6.667% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 338 (7.75, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.793, support = 3.77, residual support = 19.0: HN GLU- 36 - HN ASN 35 25.000% * 63.5312% (0.78 5.33 29.74) = 63.531% kept HN THR 39 - HN ASN 35 25.000% * 13.0496% (0.92 0.93 0.17) = 13.050% kept HD1 TRP 87 - HN ASN 35 25.000% * 12.9664% (0.96 0.89 0.58) = 12.966% kept HN LYS+ 102 - HN ASN 35 25.000% * 10.4528% (0.49 1.41 0.48) = 10.453% kept Peak 339 (6.53, 7.37, 110.13 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 2.0, residual support = 44.6: O T HD22 ASN 35 - HD21 ASN 35 100.000% *100.0000% (0.98 10.0 10.00 2.00 44.57) = 100.000% kept Peak 340 (4.38, 8.36, 120.50 ppm): 6 chemical-shift based assignments, quality = 0.942, support = 4.0, residual support = 41.7: O HA ASN 35 - HN ASN 35 16.667% * 93.1378% (0.96 10.0 4.17 44.57) = 93.138% kept HA LYS+ 99 - HN ASN 35 16.667% * 6.6234% (0.78 1.0 1.74 2.09) = 6.623% kept HA LEU 123 - HN ASN 35 16.667% * 0.0969% (1.00 1.0 0.02 0.02) = 0.097% HA ILE 56 - HN ASN 35 16.667% * 0.0955% (0.98 1.0 0.02 0.02) = 0.095% HA ASP- 113 - HN ASN 35 16.667% * 0.0271% (0.28 1.0 0.02 0.02) = 0.027% HA LEU 40 - HN ASN 35 16.667% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% Peak 342 (7.19, 6.64, 111.61 ppm): 4 chemical-shift based assignments, quality = 0.785, support = 2.25, residual support = 126.5: O HE21 GLN 30 - HE22 GLN 30 25.000% * 98.0438% (0.78 10.0 2.29 129.04) = 98.044% kept HD1 TRP 27 - HE22 GLN 30 25.000% * 1.7724% (0.98 1.0 0.29 0.02) = 1.772% kept QD PHE 59 - HE22 GLN 30 25.000% * 0.1228% (0.98 1.0 0.02 0.02) = 0.123% HH2 TRP 49 - HE22 GLN 30 25.000% * 0.0610% (0.49 1.0 0.02 0.02) = 0.061% Peak 343 (6.64, 7.18, 111.61 ppm): 3 chemical-shift based assignments, quality = 0.835, support = 2.29, residual support = 129.0: O T HE22 GLN 30 - HE21 GLN 30 33.333% * 99.9330% (0.84 10.0 10.00 2.29 129.04) = 99.933% kept HD22 ASN 69 - HE21 GLN 30 33.333% * 0.0388% (0.32 1.0 1.00 0.02 0.02) = 0.039% HN TRP 49 - HE21 GLN 30 33.333% * 0.0282% (0.24 1.0 1.00 0.02 0.02) = 0.028% Peak 344 (4.46, 8.31, 118.54 ppm): 3 chemical-shift based assignments, quality = 0.683, support = 0.976, residual support = 2.06: HA PHE 55 - HN GLN 30 33.333% * 94.7086% (0.67 1.03 2.17) = 94.709% kept HA ALA 110 - HN GLN 30 33.333% * 2.7449% (1.00 0.02 0.02) = 2.745% kept HA GLN 90 - HN GLN 30 33.333% * 2.5465% (0.92 0.02 0.02) = 2.547% kept Peak 346 (8.09, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.805, support = 2.94, residual support = 15.5: HN ALA 34 - HN LYS+ 33 33.333% * 80.3986% (0.78 3.49 19.04) = 80.399% kept HN LEU 80 - HN LYS+ 33 33.333% * 19.0245% (0.92 0.70 1.16) = 19.025% kept HN CYS 53 - HN LYS+ 33 33.333% * 0.5769% (0.98 0.02 0.02) = 0.577% Peak 347 (7.36, 6.53, 110.12 ppm): 4 chemical-shift based assignments, quality = 0.484, support = 1.99, residual support = 44.4: O HD21 ASN 35 - HD22 ASN 35 25.000% * 99.5017% (0.49 10.0 2.00 44.57) = 99.502% kept HD2 HIS 22 - HD22 ASN 35 25.000% * 0.2034% (0.99 1.0 0.02 0.02) = 0.203% HD1 TRP 49 - HD22 ASN 35 25.000% * 0.1954% (0.96 1.0 0.02 0.02) = 0.195% HN LEU 67 - HD22 ASN 35 25.000% * 0.0995% (0.49 1.0 0.02 0.02) = 0.100% Peak 348 (8.36, 7.76, 119.36 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 5.31, residual support = 29.6: T HN ASN 35 - HN GLU- 36 50.000% * 99.6431% (0.98 10.00 5.33 29.74) = 99.643% kept HN ALA 12 - HN GLU- 36 50.000% * 0.3569% (0.38 1.00 0.19 0.02) = 0.357% Peak 349 (7.74, 7.91, 112.05 ppm): 5 chemical-shift based assignments, quality = 0.45, support = 2.1, residual support = 1.69: HN THR 39 - HN SER 37 20.000% * 53.8000% (0.38 3.17 2.96) = 53.800% kept HD1 TRP 87 - HN SER 37 20.000% * 19.5563% (0.32 1.33 0.21) = 19.556% kept HN ALA 91 - HN SER 37 20.000% * 16.8176% (0.55 0.68 0.32) = 16.818% kept HN TRP 27 - HN SER 37 20.000% * 9.4379% (0.98 0.21 0.02) = 9.438% kept HN ALA 61 - HN SER 37 20.000% * 0.3882% (0.43 0.02 0.02) = 0.388% Peak 350 (7.74, 7.88, 117.58 ppm): 5 chemical-shift based assignments, quality = 0.792, support = 4.05, residual support = 19.3: HN THR 39 - HN LYS+ 38 20.000% * 66.1517% (0.88 5.39 28.42) = 66.152% kept HD1 TRP 87 - HN LYS+ 38 20.000% * 16.8236% (0.84 1.45 1.42) = 16.824% kept HN TRP 27 - HN LYS+ 38 20.000% * 8.4490% (0.55 1.11 2.52) = 8.449% kept HN GLU- 36 - HN LYS+ 38 20.000% * 7.6799% (0.28 1.98 1.25) = 7.680% kept HN ALA 91 - HN LYS+ 38 20.000% * 0.8958% (0.14 0.48 0.02) = 0.896% Peak 351 (4.40, 7.76, 119.36 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 0.02, residual support = 0.02: HA LEU 40 - HN GLU- 36 14.286% * 23.6761% (1.00 0.02 0.02) = 23.676% kept HA PRO 58 - HN GLU- 36 14.286% * 21.8558% (0.92 0.02 0.02) = 21.856% kept HA SER 13 - HN GLU- 36 14.286% * 20.8941% (0.88 0.02 0.02) = 20.894% kept HA GLU- 15 - HN GLU- 36 14.286% * 20.8941% (0.88 0.02 0.02) = 20.894% kept HA LEU 123 - HN GLU- 36 14.286% * 5.5816% (0.24 0.02 0.02) = 5.582% kept HA THR 46 - HN GLU- 36 14.286% * 3.8941% (0.16 0.02 0.02) = 3.894% kept HA ILE 56 - HN GLU- 36 14.286% * 3.2042% (0.14 0.02 0.02) = 3.204% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 352 (4.08, 7.76, 119.36 ppm): 3 chemical-shift based assignments, quality = 0.429, support = 5.22, residual support = 59.1: O HA GLU- 36 - HN GLU- 36 33.333% * 95.8218% (0.43 10.0 5.41 61.63) = 95.822% kept HA LYS+ 66 - HN GLU- 36 33.333% * 4.1162% (0.43 1.0 0.86 0.02) = 4.116% kept HA LYS+ 81 - HN GLU- 36 33.333% * 0.0620% (0.28 1.0 0.02 0.02) = 0.062% Peak 353 (4.42, 7.91, 112.05 ppm): 8 chemical-shift based assignments, quality = 0.919, support = 3.23, residual support = 24.1: O HA SER 37 - HN SER 37 12.500% * 99.6001% (0.92 10.0 3.24 24.23) = 99.600% kept HA THR 46 - HN SER 37 12.500% * 0.1058% (0.98 1.0 0.02 0.02) = 0.106% HA GLN 17 - HN SER 37 12.500% * 0.0996% (0.92 1.0 0.02 0.02) = 0.100% HA SER 13 - HN SER 37 12.500% * 0.0525% (0.49 1.0 0.02 0.02) = 0.053% HA GLU- 15 - HN SER 37 12.500% * 0.0525% (0.49 1.0 0.02 0.02) = 0.053% HA PRO 58 - HN SER 37 12.500% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HA LEU 40 - HN SER 37 12.500% * 0.0254% (0.24 1.0 0.02 0.02) = 0.025% HA VAL 42 - HN SER 37 12.500% * 0.0177% (0.16 1.0 0.02 0.02) = 0.018% Peak 354 (4.08, 7.91, 112.05 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 0.02, residual support = 0.02: HA LYS+ 66 - HN SER 37 100.000% *100.0000% (0.92 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 355 (4.41, 7.88, 117.58 ppm): 7 chemical-shift based assignments, quality = 0.491, support = 4.09, residual support = 7.89: O HA SER 37 - HN LYS+ 38 14.286% * 94.9451% (0.49 10.0 4.28 8.29) = 94.945% kept HA LEU 40 - HN LYS+ 38 14.286% * 4.3094% (0.67 1.0 0.66 0.27) = 4.309% kept HA SER 13 - HN LYS+ 38 14.286% * 0.1801% (0.92 1.0 0.02 0.02) = 0.180% HA GLU- 15 - HN LYS+ 38 14.286% * 0.1801% (0.92 1.0 0.02 0.02) = 0.180% HA PRO 58 - HN LYS+ 38 14.286% * 0.1721% (0.88 1.0 0.02 0.02) = 0.172% HA THR 46 - HN LYS+ 38 14.286% * 0.1183% (0.61 1.0 0.02 0.15) = 0.118% HA GLN 17 - HN LYS+ 38 14.286% * 0.0949% (0.49 1.0 0.02 0.02) = 0.095% Peak 356 (4.09, 7.88, 117.58 ppm): 3 chemical-shift based assignments, quality = 0.858, support = 0.938, residual support = 0.909: HA GLU- 36 - HN LYS+ 38 33.333% * 70.4475% (0.92 1.14 1.25) = 70.447% kept HA LYS+ 81 - HN LYS+ 38 33.333% * 25.5241% (0.78 0.49 0.11) = 25.524% kept HA ALA 124 - HN LYS+ 38 33.333% * 4.0284% (0.20 0.30 0.02) = 4.028% kept Peak 357 (4.27, 7.75, 114.55 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 3.28, residual support = 25.2: O HA THR 39 - HN THR 39 11.111% * 98.3254% (1.00 10.0 3.34 25.58) = 98.325% kept HA1 GLY 51 - HN THR 39 11.111% * 1.3702% (0.96 1.0 0.29 0.02) = 1.370% kept HA GLU- 79 - HN THR 39 11.111% * 0.0964% (0.98 1.0 0.02 0.02) = 0.096% HA ALA 57 - HN THR 39 11.111% * 0.0537% (0.55 1.0 0.02 0.02) = 0.054% HA ILE 103 - HN THR 39 11.111% * 0.0479% (0.49 1.0 0.02 0.02) = 0.048% HA SER 85 - HN THR 39 11.111% * 0.0319% (0.32 1.0 0.02 0.02) = 0.032% HB THR 77 - HN THR 39 11.111% * 0.0319% (0.32 1.0 0.02 0.02) = 0.032% HA ASP- 44 - HN THR 39 11.111% * 0.0232% (0.24 1.0 0.02 0.02) = 0.023% HA MET 11 - HN THR 39 11.111% * 0.0195% (0.20 1.0 0.02 0.02) = 0.019% Peak 358 (4.27, 8.88, 128.13 ppm): 9 chemical-shift based assignments, quality = 0.989, support = 3.83, residual support = 14.9: O HA THR 39 - HN LEU 40 11.111% * 96.1473% (1.00 10.0 3.96 15.54) = 96.147% kept HA1 GLY 51 - HN LEU 40 11.111% * 2.1237% (0.96 1.0 0.46 0.02) = 2.124% kept HA ILE 103 - HN LEU 40 11.111% * 1.4781% (0.49 1.0 0.63 0.02) = 1.478% kept HA GLU- 79 - HN LEU 40 11.111% * 0.0942% (0.98 1.0 0.02 0.02) = 0.094% HA ALA 57 - HN LEU 40 11.111% * 0.0525% (0.55 1.0 0.02 0.02) = 0.053% HA SER 85 - HN LEU 40 11.111% * 0.0312% (0.32 1.0 0.02 0.02) = 0.031% HB THR 77 - HN LEU 40 11.111% * 0.0312% (0.32 1.0 0.02 0.02) = 0.031% HA ASP- 44 - HN LEU 40 11.111% * 0.0227% (0.24 1.0 0.02 0.02) = 0.023% HA MET 11 - HN LEU 40 11.111% * 0.0190% (0.20 1.0 0.02 0.02) = 0.019% Peak 359 (4.40, 8.88, 128.13 ppm): 7 chemical-shift based assignments, quality = 0.984, support = 4.08, residual support = 69.1: O HA LEU 40 - HN LEU 40 14.286% * 98.4228% (1.00 10.0 4.15 70.17) = 98.423% kept HA GLU- 15 - HN LEU 40 14.286% * 0.7525% (0.88 1.0 0.17 0.02) = 0.752% HA LEU 123 - HN LEU 40 14.286% * 0.6175% (0.24 1.0 0.53 0.34) = 0.618% HA PRO 58 - HN LEU 40 14.286% * 0.0909% (0.92 1.0 0.02 0.02) = 0.091% HA SER 13 - HN LEU 40 14.286% * 0.0869% (0.88 1.0 0.02 0.02) = 0.087% HA THR 46 - HN LEU 40 14.286% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% HA ILE 56 - HN LEU 40 14.286% * 0.0133% (0.14 1.0 0.02 0.82) = 0.013% Peak 360 (4.85, 9.02, 128.16 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 0.237, residual support = 0.562: HA PHE 45 - HN VAL 41 100.000% *100.0000% (0.55 0.24 0.56) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 361 (4.40, 9.02, 128.16 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 3.01, residual support = 8.21: O HA LEU 40 - HN VAL 41 14.286% * 99.6787% (1.00 10.0 3.02 8.23) = 99.679% kept HA PRO 58 - HN VAL 41 14.286% * 0.0920% (0.92 1.0 0.02 0.02) = 0.092% HA SER 13 - HN VAL 41 14.286% * 0.0880% (0.88 1.0 0.02 0.02) = 0.088% HA GLU- 15 - HN VAL 41 14.286% * 0.0880% (0.88 1.0 0.02 0.02) = 0.088% HA LEU 123 - HN VAL 41 14.286% * 0.0235% (0.24 1.0 0.02 0.54) = 0.023% HA THR 46 - HN VAL 41 14.286% * 0.0164% (0.16 1.0 0.02 0.02) = 0.016% HA ILE 56 - HN VAL 41 14.286% * 0.0135% (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 = 0.923, support = 3.94, residual support = 11.1: T HN LEU 98 - HN VAL 41 100.000% *100.0000% (0.92 10.00 3.94 11.13) = 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): 1 chemical-shift based assignment, quality = 0.546, support = 0.552, residual support = 0.552: HA PHE 45 - HN VAL 42 100.000% *100.0000% (0.55 0.55 0.55) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 365 (4.45, 8.95, 126.35 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 4.68, residual support = 68.5: O HA VAL 42 - HN VAL 42 25.000% * 99.8029% (0.73 10.0 4.69 68.59) = 99.803% kept HA PHE 55 - HN VAL 42 25.000% * 0.0998% (0.73 1.0 0.02 0.02) = 0.100% HA GLN 90 - HN VAL 42 25.000% * 0.0590% (0.43 1.0 0.02 0.02) = 0.059% HA ALA 110 - HN VAL 42 25.000% * 0.0382% (0.28 1.0 0.02 0.02) = 0.038% Peak 366 (4.44, 9.16, 125.94 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 4.47, residual support = 23.1: O HA VAL 42 - HN VAL 43 20.000% * 99.8731% (1.00 10.0 4.47 23.15) = 99.873% kept HA GLN 17 - HN VAL 43 20.000% * 0.0377% (0.38 1.0 0.02 0.02) = 0.038% HA SER 37 - HN VAL 43 20.000% * 0.0377% (0.38 1.0 0.02 0.02) = 0.038% HA THR 46 - HN VAL 43 20.000% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% HA PHE 55 - HN VAL 43 20.000% * 0.0237% (0.24 1.0 0.02 0.02) = 0.024% Peak 368 (4.90, 8.78, 123.55 ppm): 2 chemical-shift based assignments, quality = 0.699, support = 1.71, residual support = 3.29: HA MET 92 - HN ASP- 44 50.000% * 94.4344% (0.73 1.80 3.49) = 94.434% kept HA HIS 122 - HN ASP- 44 50.000% * 5.5656% (0.24 0.33 0.02) = 5.566% kept Peak 369 (4.67, 8.78, 123.55 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 3.57, residual support = 11.5: O HA VAL 43 - HN ASP- 44 25.000% * 99.9009% (0.73 10.0 3.57 11.55) = 99.901% kept HA ASN 69 - HN ASP- 44 25.000% * 0.0447% (0.32 1.0 0.02 0.02) = 0.045% HA LEU 71 - HN ASP- 44 25.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HA HIS 22 - HN ASP- 44 25.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% Peak 370 (4.30, 8.78, 123.55 ppm): 6 chemical-shift based assignments, quality = 0.227, support = 2.98, residual support = 30.5: O HA ASP- 44 - HN ASP- 44 16.667% * 93.8546% (0.20 10.0 3.17 32.52) = 93.855% kept HA ASP- 86 - HN ASP- 44 16.667% * 3.4659% (1.00 1.0 0.15 0.02) = 3.466% kept HA LEU 104 - HN ASP- 44 16.667% * 1.6400% (0.43 1.0 0.16 0.02) = 1.640% kept HA ALA 12 - HN ASP- 44 16.667% * 0.4743% (1.00 1.0 0.02 0.02) = 0.474% HA GLU- 14 - HN ASP- 44 16.667% * 0.4534% (0.96 1.0 0.02 0.02) = 0.453% HA MET 11 - HN ASP- 44 16.667% * 0.1118% (0.24 1.0 0.02 0.02) = 0.112% Peak 371 (8.02, 8.74, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.683, support = 3.25, residual support = 14.3: T HN THR 94 - HN PHE 45 50.000% * 94.7989% (0.67 10.00 3.39 15.13) = 94.799% kept HN GLU- 79 - HN PHE 45 50.000% * 5.2011% (0.98 1.00 0.75 0.02) = 5.201% kept Peak 372 (6.84, 8.74, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.413, support = 2.54, residual support = 40.5: QD PHE 45 - HN PHE 45 33.333% * 73.5230% (0.24 3.40 55.08) = 73.523% kept HD2 HIS 122 - HN PHE 45 33.333% * 15.7936% (0.92 0.19 0.02) = 15.794% kept HE22 GLN 116 - HN PHE 45 33.333% * 10.6834% (0.88 0.13 0.02) = 10.683% kept Peak 373 (5.96, 8.74, 125.75 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 1.72, residual support = 1.91: HA PHE 95 - HN PHE 45 100.000% *100.0000% (1.00 1.72 1.91) = 100.000% kept Peak 374 (4.86, 8.74, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.98, support = 3.04, residual support = 55.1: O HA PHE 45 - HN PHE 45 50.000% * 99.9760% (0.98 10.0 3.04 55.08) = 99.976% kept HA VAL 41 - HN PHE 45 50.000% * 0.0240% (0.24 1.0 0.02 0.56) = 0.024% Peak 375 (4.29, 8.74, 125.75 ppm): 10 chemical-shift based assignments, quality = 0.996, support = 2.9, residual support = 7.61: O HA ASP- 44 - HN PHE 45 10.000% * 97.6451% (1.00 10.0 2.96 7.79) = 97.645% kept HA SER 85 - HN PHE 45 10.000% * 1.9726% (0.98 1.0 0.41 0.25) = 1.973% kept HA MET 11 - HN PHE 45 10.000% * 0.0972% (1.00 1.0 0.02 0.02) = 0.097% HB THR 77 - HN PHE 45 10.000% * 0.0957% (0.98 1.0 0.02 3.29) = 0.096% HA ILE 103 - HN PHE 45 10.000% * 0.0862% (0.88 1.0 0.02 0.02) = 0.086% HA GLU- 79 - HN PHE 45 10.000% * 0.0317% (0.32 1.0 0.02 0.02) = 0.032% HA THR 39 - HN PHE 45 10.000% * 0.0230% (0.24 1.0 0.02 0.02) = 0.023% HA ALA 12 - HN PHE 45 10.000% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA ASP- 86 - HN PHE 45 10.000% * 0.0161% (0.16 1.0 0.02 0.02) = 0.016% HA1 GLY 51 - HN PHE 45 10.000% * 0.0132% (0.14 1.0 0.02 0.02) = 0.013% Peak 376 (6.83, 8.46, 117.19 ppm): 3 chemical-shift based assignments, quality = 0.842, support = 0.602, residual support = 0.513: HD2 HIS 122 - HN THR 46 33.333% * 64.7291% (0.88 0.77 0.78) = 64.729% kept HE22 GLN 116 - HN THR 46 33.333% * 26.1791% (0.92 0.30 0.02) = 26.179% kept HE22 GLN 17 - HN THR 46 33.333% * 9.0918% (0.32 0.29 0.02) = 9.092% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 377 (5.00, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.26, support = 1.15, residual support = 2.08: HA ASP- 76 - HN THR 46 50.000% * 95.1436% (0.24 1.21 2.18) = 95.144% kept HA LEU 67 - HN THR 46 50.000% * 4.8564% (0.73 0.02 0.02) = 4.856% kept Peak 378 (4.85, 8.46, 117.19 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 2.78, residual support = 5.73: O HA PHE 45 - HN THR 46 100.000% *100.0000% (0.55 10.0 2.78 5.73) = 100.000% kept Peak 379 (4.44, 8.46, 117.19 ppm): 5 chemical-shift based assignments, quality = 0.278, support = 2.86, residual support = 22.9: O HA THR 46 - HN THR 46 20.000% * 97.5057% (0.28 10.0 2.93 23.52) = 97.506% kept HA GLN 17 - HN THR 46 20.000% * 1.9311% (0.38 1.0 0.29 0.02) = 1.931% kept HA VAL 42 - HN THR 46 20.000% * 0.3489% (1.00 1.0 0.02 0.23) = 0.349% HA SER 37 - HN THR 46 20.000% * 0.1316% (0.38 1.0 0.02 0.02) = 0.132% HA PHE 55 - HN THR 46 20.000% * 0.0827% (0.24 1.0 0.02 0.02) = 0.083% Peak 381 (9.28, 8.46, 117.19 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 2.28, residual support = 4.98: HN THR 77 - HN THR 46 100.000% *100.0000% (1.00 2.28 4.98) = 100.000% kept Peak 382 (4.57, 7.01, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.775, support = 1.88, residual support = 7.89: O HA ALA 47 - HN ALA 47 20.000% * 97.5825% (0.78 10.0 1.91 8.02) = 97.583% kept HA CYS 50 - HN ALA 47 20.000% * 2.2511% (0.49 1.0 0.71 2.82) = 2.251% kept HA VAL 108 - HN ALA 47 20.000% * 0.0793% (0.61 1.0 0.02 0.02) = 0.079% HA1 GLY 109 - HN ALA 47 20.000% * 0.0562% (0.43 1.0 0.02 0.02) = 0.056% HA TRP 49 - HN ALA 47 20.000% * 0.0308% (0.24 1.0 0.02 6.36) = 0.031% Peak 384 (4.44, 7.01, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.275, support = 2.43, residual support = 4.15: O HA THR 46 - HN ALA 47 20.000% * 98.8898% (0.28 10.0 2.46 4.20) = 98.890% kept HA GLN 17 - HN ALA 47 20.000% * 0.5390% (0.38 1.0 0.08 0.02) = 0.539% HA VAL 42 - HN ALA 47 20.000% * 0.3539% (1.00 1.0 0.02 0.02) = 0.354% HA SER 37 - HN ALA 47 20.000% * 0.1335% (0.38 1.0 0.02 0.02) = 0.133% HA PHE 55 - HN ALA 47 20.000% * 0.0838% (0.24 1.0 0.02 0.02) = 0.084% Peak 386 (6.62, 9.44, 119.76 ppm): 3 chemical-shift based assignments, quality = 0.654, support = 3.73, residual support = 13.0: T HN TRP 49 - HN SER 48 33.333% * 96.2926% (0.67 10.00 3.81 13.49) = 96.293% kept HN CYS 50 - HN SER 48 33.333% * 3.6879% (0.32 1.00 1.57 0.02) = 3.688% kept HE22 GLN 30 - HN SER 48 33.333% * 0.0195% (0.14 1.00 0.02 0.02) = 0.020% Peak 387 (4.57, 9.44, 119.76 ppm): 5 chemical-shift based assignments, quality = 0.753, support = 1.84, residual support = 4.57: O HA ALA 47 - HN SER 48 20.000% * 93.5069% (0.78 10.0 1.84 4.34) = 93.507% kept HA TRP 49 - HN SER 48 20.000% * 3.8181% (0.24 1.0 2.50 13.49) = 3.818% kept HA CYS 50 - HN SER 48 20.000% * 2.5408% (0.49 1.0 0.81 0.02) = 2.541% kept HA VAL 108 - HN SER 48 20.000% * 0.0786% (0.61 1.0 0.02 0.02) = 0.079% HA1 GLY 109 - HN SER 48 20.000% * 0.0557% (0.43 1.0 0.02 0.02) = 0.056% Peak 388 (7.35, 6.63, 116.57 ppm): 5 chemical-shift based assignments, quality = 0.805, support = 4.47, residual support = 60.3: HD1 TRP 49 - HN TRP 49 20.000% * 86.1583% (0.84 5.07 69.82) = 86.158% kept HD2 HIS 22 - HN TRP 49 20.000% * 10.7298% (0.61 0.87 0.94) = 10.730% kept HN LEU 67 - HN TRP 49 20.000% * 2.1710% (0.96 0.11 0.02) = 2.171% kept HN THR 23 - HN TRP 49 20.000% * 0.7883% (0.43 0.09 0.02) = 0.788% QE PHE 95 - HN TRP 49 20.000% * 0.1526% (0.38 0.02 0.02) = 0.153% Peak 389 (9.45, 6.63, 116.57 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 3.81, residual support = 13.5: T HN SER 48 - HN TRP 49 100.000% *100.0000% (0.67 10.00 3.81 13.49) = 100.000% kept Peak 390 (4.58, 6.60, 121.96 ppm): 6 chemical-shift based assignments, quality = 0.855, support = 2.3, residual support = 8.99: O HA CYS 50 - HN CYS 50 16.667% * 56.6844% (0.96 10.0 2.10 6.46) = 56.684% kept O HA TRP 49 - HN CYS 50 16.667% * 43.0559% (0.73 10.0 2.57 12.38) = 43.056% kept HA1 GLY 109 - HN CYS 50 16.667% * 0.2080% (0.92 1.0 0.08 0.02) = 0.208% HA CYS 21 - HN CYS 50 16.667% * 0.0255% (0.43 1.0 0.02 0.02) = 0.025% HA ALA 47 - HN CYS 50 16.667% * 0.0165% (0.28 1.0 0.02 2.82) = 0.016% HA VAL 108 - HN CYS 50 16.667% * 0.0098% (0.16 1.0 0.02 0.02) = 0.010% Peak 391 (4.58, 6.63, 116.57 ppm): 6 chemical-shift based assignments, quality = 0.735, support = 3.8, residual support = 58.7: O HA TRP 49 - HN TRP 49 16.667% * 81.1803% (0.73 10.0 4.07 69.82) = 81.180% kept HA CYS 50 - HN TRP 49 16.667% * 13.9244% (0.96 1.0 2.61 12.38) = 13.924% kept HA ALA 47 - HN TRP 49 16.667% * 4.4367% (0.28 1.0 2.85 6.36) = 4.437% kept HA1 GLY 109 - HN TRP 49 16.667% * 0.3922% (0.92 1.0 0.08 0.02) = 0.392% HA CYS 21 - HN TRP 49 16.667% * 0.0480% (0.43 1.0 0.02 0.02) = 0.048% HA VAL 108 - HN TRP 49 16.667% * 0.0184% (0.16 1.0 0.02 0.02) = 0.018% Peak 392 (7.36, 11.10, 134.86 ppm): 4 chemical-shift based assignments, quality = 0.841, support = 1.71, residual support = 66.5: O HD1 TRP 49 - HE1 TRP 49 25.000% * 95.2001% (0.84 10.0 1.76 69.82) = 95.200% kept HD2 HIS 22 - HE1 TRP 49 25.000% * 4.6714% (0.98 1.0 0.74 0.94) = 4.671% kept HD21 ASN 35 - HE1 TRP 49 25.000% * 0.0864% (0.67 1.0 0.02 0.02) = 0.086% HN LEU 67 - HE1 TRP 49 25.000% * 0.0421% (0.32 1.0 0.02 0.02) = 0.042% Peak 393 (4.58, 9.57, 121.38 ppm): 6 chemical-shift based assignments, quality = 0.942, support = 0.98, residual support = 0.914: O HA CYS 50 - HN GLY 51 16.667% * 95.0755% (0.96 10.0 1.00 0.96) = 95.076% kept HA TRP 49 - HN GLY 51 16.667% * 4.5674% (0.73 1.0 0.63 0.02) = 4.567% kept HA1 GLY 109 - HN GLY 51 16.667% * 0.1836% (0.92 1.0 0.02 0.02) = 0.184% HA CYS 21 - HN GLY 51 16.667% * 0.0854% (0.43 1.0 0.02 0.02) = 0.085% HA ALA 47 - HN GLY 51 16.667% * 0.0553% (0.28 1.0 0.02 0.02) = 0.055% HA VAL 108 - HN GLY 51 16.667% * 0.0327% (0.16 1.0 0.02 0.02) = 0.033% Peak 394 (4.26, 9.57, 121.38 ppm): 4 chemical-shift based assignments, quality = 0.833, support = 2.28, residual support = 7.29: O HA1 GLY 51 - HN GLY 51 25.000% * 99.7381% (0.84 10.0 2.29 7.31) = 99.738% kept HA ALA 57 - HN GLY 51 25.000% * 0.1170% (0.98 1.0 0.02 0.02) = 0.117% HA THR 39 - HN GLY 51 25.000% * 0.0796% (0.67 1.0 0.02 0.02) = 0.080% HA GLU- 79 - HN GLY 51 25.000% * 0.0652% (0.55 1.0 0.02 0.02) = 0.065% Peak 395 (7.87, 8.09, 110.83 ppm): 4 chemical-shift based assignments, quality = 0.805, support = 4.18, residual support = 18.9: T HN ARG+ 54 - HN CYS 53 25.000% * 68.6270% (0.96 10.00 5.31 27.19) = 68.627% kept T HN ASP- 62 - HN CYS 53 25.000% * 30.5063% (0.49 10.00 1.75 0.84) = 30.506% kept HN LEU 31 - HN CYS 53 25.000% * 0.4451% (0.38 1.00 0.33 0.02) = 0.445% HN LYS+ 38 - HN CYS 53 25.000% * 0.4217% (0.67 1.00 0.18 0.02) = 0.422% Peak 396 (8.10, 7.87, 121.30 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 4.89, residual support = 24.3: T HN CYS 53 - HN ARG+ 54 16.667% * 88.9466% (0.69 10.00 5.31 27.19) = 88.947% kept T HN CYS 53 - HN ASP- 62 16.667% * 9.0361% (0.08 10.00 1.75 0.84) = 9.036% kept HN LEU 80 - HN ARG+ 54 16.667% * 1.3244% (0.38 1.00 0.54 0.02) = 1.324% kept HN ALA 34 - HN ARG+ 54 16.667% * 0.6836% (0.25 1.00 0.43 0.02) = 0.684% HN LEU 80 - HN ASP- 62 16.667% * 0.0057% (0.04 1.00 0.02 0.02) = 0.006% HN ALA 34 - HN ASP- 62 16.667% * 0.0037% (0.03 1.00 0.02 0.02) = 0.004% Peak 397 (7.67, 7.87, 121.30 ppm): 6 chemical-shift based assignments, quality = 0.377, support = 0.263, residual support = 0.166: HD21 ASN 69 - HN ARG+ 54 16.667% * 69.6473% (0.48 0.23 0.17) = 69.647% kept HN TRP 87 - HN ASP- 62 16.667% * 17.5325% (0.05 0.56 0.25) = 17.533% kept HN TRP 87 - HN ARG+ 54 16.667% * 5.4165% (0.43 0.02 0.02) = 5.417% kept HD21 ASN 69 - HN ASP- 62 16.667% * 3.9496% (0.06 0.11 0.02) = 3.950% kept HN GLN 17 - HN ARG+ 54 16.667% * 3.0940% (0.25 0.02 0.02) = 3.094% kept HN GLN 17 - HN ASP- 62 16.667% * 0.3600% (0.03 0.02 0.02) = 0.360% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 400 (7.83, 7.59, 115.08 ppm): 2 chemical-shift based assignments, quality = 0.878, support = 3.19, residual support = 13.4: HN PHE 55 - HN ILE 56 50.000% * 99.4894% (0.88 3.21 13.49) = 99.489% kept HN ALA 88 - HN ILE 56 50.000% * 0.5106% (0.73 0.02 0.02) = 0.511% Peak 401 (7.40, 7.59, 115.08 ppm): 3 chemical-shift based assignments, quality = 0.727, support = 3.6, residual support = 17.3: T HN ALA 57 - HN ILE 56 33.333% * 97.1438% (0.73 10.00 3.69 17.73) = 97.144% kept HE21 GLN 90 - HN ILE 56 33.333% * 2.7750% (0.78 1.00 0.53 0.91) = 2.775% kept HE21 GLN 116 - HN ILE 56 33.333% * 0.0811% (0.61 1.00 0.02 0.02) = 0.081% Peak 402 (4.41, 7.59, 115.08 ppm): 7 chemical-shift based assignments, quality = 0.767, support = 0.357, residual support = 0.444: HA LEU 40 - HN ILE 56 14.286% * 46.8884% (0.67 0.46 0.82) = 46.888% kept HA PRO 58 - HN ILE 56 14.286% * 42.7481% (0.88 0.32 0.14) = 42.748% kept HA SER 13 - HN ILE 56 14.286% * 2.7922% (0.92 0.02 0.02) = 2.792% kept HA GLU- 15 - HN ILE 56 14.286% * 2.7922% (0.92 0.02 0.02) = 2.792% kept HA THR 46 - HN ILE 56 14.286% * 1.8346% (0.61 0.02 0.02) = 1.835% kept HA GLN 17 - HN ILE 56 14.286% * 1.4723% (0.49 0.02 0.02) = 1.472% kept HA SER 37 - HN ILE 56 14.286% * 1.4723% (0.49 0.02 0.02) = 1.472% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 403 (7.59, 7.41, 127.14 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 3.64, residual support = 17.4: T HN ILE 56 - HN ALA 57 20.000% * 98.3924% (0.96 10.00 3.69 17.73) = 98.392% kept HN LYS+ 111 - HN ALA 57 20.000% * 1.4208% (0.78 1.00 0.35 0.02) = 1.421% kept HN LEU 63 - HN ALA 57 20.000% * 0.0860% (0.84 1.00 0.02 0.02) = 0.086% HN ALA 84 - HN ALA 57 20.000% * 0.0806% (0.78 1.00 0.02 0.02) = 0.081% HE21 GLN 32 - HN ALA 57 20.000% * 0.0204% (0.20 1.00 0.02 0.02) = 0.020% Peak 404 (8.20, 7.25, 119.50 ppm): 2 chemical-shift based assignments, quality = 0.55, support = 2.04, residual support = 4.99: T HN GLU- 15 - HN PHE 59 50.000% * 61.3731% (0.74 10.00 1.08 2.55) = 61.373% kept T HN PHE 60 - HN PHE 59 50.000% * 38.6269% (0.25 10.00 3.56 8.87) = 38.627% kept Peak 405 (4.37, 7.25, 119.50 ppm): 5 chemical-shift based assignments, quality = 0.699, support = 1.24, residual support = 2.17: HA LYS+ 99 - HN PHE 59 20.000% * 67.8171% (0.76 1.50 2.81) = 67.817% kept HA ILE 56 - HN PHE 59 20.000% * 27.7096% (0.60 0.77 0.95) = 27.710% kept HA ASP- 113 - HN PHE 59 20.000% * 3.1467% (0.60 0.09 0.02) = 3.147% kept HA ASN 35 - HN PHE 59 20.000% * 0.7685% (0.64 0.02 0.02) = 0.769% HA LEU 123 - HN PHE 59 20.000% * 0.5581% (0.47 0.02 0.17) = 0.558% Peak 406 (4.27, 7.41, 127.14 ppm): 9 chemical-shift based assignments, quality = 0.568, support = 3.48, residual support = 13.9: O HA ALA 57 - HN ALA 57 11.111% * 93.9000% (0.55 10.0 3.67 14.82) = 93.900% kept HA THR 39 - HN ALA 57 11.111% * 5.4971% (1.00 1.0 0.64 0.02) = 5.497% kept HA GLU- 79 - HN ALA 57 11.111% * 0.1685% (0.98 1.0 0.02 0.02) = 0.169% HA1 GLY 51 - HN ALA 57 11.111% * 0.1644% (0.96 1.0 0.02 0.02) = 0.164% HA ILE 103 - HN ALA 57 11.111% * 0.0837% (0.49 1.0 0.02 0.02) = 0.084% HA SER 85 - HN ALA 57 11.111% * 0.0558% (0.32 1.0 0.02 0.02) = 0.056% HB THR 77 - HN ALA 57 11.111% * 0.0558% (0.32 1.0 0.02 0.02) = 0.056% HA ASP- 44 - HN ALA 57 11.111% * 0.0405% (0.24 1.0 0.02 0.02) = 0.041% HA MET 11 - HN ALA 57 11.111% * 0.0340% (0.20 1.0 0.02 0.02) = 0.034% Peak 407 (4.38, 7.41, 127.14 ppm): 6 chemical-shift based assignments, quality = 0.977, support = 3.71, residual support = 17.7: O HA ILE 56 - HN ALA 57 16.667% * 99.6736% (0.98 10.0 3.73 17.73) = 99.674% kept HA LEU 123 - HN ALA 57 16.667% * 0.1012% (1.00 1.0 0.02 0.02) = 0.101% HA ASN 35 - HN ALA 57 16.667% * 0.0972% (0.96 1.0 0.02 0.02) = 0.097% HA LYS+ 99 - HN ALA 57 16.667% * 0.0796% (0.78 1.0 0.02 0.02) = 0.080% HA ASP- 113 - HN ALA 57 16.667% * 0.0283% (0.28 1.0 0.02 0.02) = 0.028% HA LEU 40 - HN ALA 57 16.667% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 408 (8.20, 7.72, 117.18 ppm): 2 chemical-shift based assignments, quality = 0.796, support = 3.16, residual support = 9.07: T HN GLU- 15 - HN ALA 61 50.000% * 74.6494% (0.96 10.00 2.85 4.66) = 74.649% kept T HN PHE 60 - HN ALA 61 50.000% * 25.3506% (0.32 10.00 4.06 22.06) = 25.351% kept Peak 409 (7.27, 7.72, 117.18 ppm): 3 chemical-shift based assignments, quality = 0.403, support = 3.12, residual support = 14.0: QD PHE 60 - HN ALA 61 33.333% * 63.1007% (0.28 4.31 22.06) = 63.101% kept QE PHE 59 - HN ALA 61 33.333% * 35.8921% (0.61 1.12 0.31) = 35.892% kept HN LYS+ 66 - HN ALA 61 33.333% * 1.0072% (0.96 0.02 0.02) = 1.007% kept Peak 410 (4.40, 7.72, 117.18 ppm): 7 chemical-shift based assignments, quality = 0.893, support = 1.23, residual support = 3.72: HA GLU- 15 - HN ALA 61 14.286% * 79.7563% (0.88 1.50 4.66) = 79.756% kept HA LEU 40 - HN ALA 61 14.286% * 11.6459% (1.00 0.19 0.02) = 11.646% kept HA PRO 58 - HN ALA 61 14.286% * 6.8891% (0.92 0.12 0.02) = 6.889% kept HA SER 13 - HN ALA 61 14.286% * 1.0634% (0.88 0.02 0.02) = 1.063% kept HA LEU 123 - HN ALA 61 14.286% * 0.2841% (0.24 0.02 0.02) = 0.284% HA THR 46 - HN ALA 61 14.286% * 0.1982% (0.16 0.02 0.02) = 0.198% HA ILE 56 - HN ALA 61 14.286% * 0.1631% (0.14 0.02 0.28) = 0.163% Peak 411 (4.28, 7.72, 117.18 ppm): 9 chemical-shift based assignments, quality = 0.783, support = 0.353, residual support = 0.0668: HA SER 85 - HN ALA 61 11.111% * 26.4282% (0.84 0.49 0.13) = 26.428% kept HA THR 39 - HN ALA 61 11.111% * 19.4000% (0.67 0.45 0.11) = 19.400% kept HA ILE 103 - HN ALA 61 11.111% * 15.5154% (0.96 0.25 0.02) = 15.515% kept HB THR 77 - HN ALA 61 11.111% * 14.0214% (0.84 0.26 0.02) = 14.021% kept HA ASP- 44 - HN ALA 61 11.111% * 12.0081% (0.73 0.26 0.02) = 12.008% kept HA MET 11 - HN ALA 61 11.111% * 10.8247% (0.67 0.25 0.02) = 10.825% kept HA GLU- 79 - HN ALA 61 11.111% * 1.0041% (0.78 0.02 0.02) = 1.004% kept HA1 GLY 51 - HN ALA 61 11.111% * 0.6244% (0.49 0.02 0.02) = 0.624% HA ALA 57 - HN ALA 61 11.111% * 0.1736% (0.14 0.02 0.02) = 0.174% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 412 (7.86, 7.59, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.945, support = 5.14, residual support = 27.3: HN ASP- 62 - HN LEU 63 25.000% * 89.1324% (0.96 5.68 30.61) = 89.132% kept HN LEU 31 - HN LEU 63 25.000% * 10.5285% (0.88 0.73 0.34) = 10.529% kept HN ARG+ 54 - HN LEU 63 25.000% * 0.2741% (0.84 0.02 0.02) = 0.274% HN LYS+ 38 - HN LEU 63 25.000% * 0.0650% (0.20 0.02 0.02) = 0.065% Peak 413 (6.47, 7.59, 120.97 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 6.29, residual support = 45.1: T HN ALA 64 - HN LEU 63 100.000% *100.0000% (0.92 10.00 6.29 45.07) = 100.000% kept Peak 414 (6.91, 6.46, 118.53 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.98, residual support = 19.7: T HN LYS+ 65 - HN ALA 64 100.000% *100.0000% (0.92 10.00 3.98 19.75) = 100.000% kept Peak 415 (7.59, 6.46, 118.53 ppm): 6 chemical-shift based assignments, quality = 0.922, support = 5.84, residual support = 41.5: HN LEU 63 - HN ALA 64 16.667% * 91.9932% (0.98 6.29 45.07) = 91.993% kept HD21 ASN 28 - HN ALA 64 16.667% * 3.6111% (0.32 0.75 0.02) = 3.611% kept HN ALA 84 - HN ALA 64 16.667% * 1.8405% (0.32 0.38 0.23) = 1.841% kept HZ2 TRP 87 - HN ALA 64 16.667% * 1.7442% (0.14 0.86 0.02) = 1.744% kept HN LYS+ 111 - HN ALA 64 16.667% * 0.5478% (0.32 0.11 0.02) = 0.548% HN ILE 56 - HN ALA 64 16.667% * 0.2631% (0.88 0.02 0.02) = 0.263% Peak 416 (6.47, 6.90, 114.80 ppm): 1 chemical-shift based assignment, quality = 0.638, support = 3.98, residual support = 19.7: T HN ALA 64 - HN LYS+ 65 100.000% *100.0000% (0.64 10.00 3.98 19.75) = 100.000% kept Peak 417 (7.27, 6.90, 114.80 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 4.35, residual support = 22.5: HN LYS+ 66 - HN LYS+ 65 33.333% * 90.1648% (0.66 4.67 24.95) = 90.165% kept QD PHE 60 - HN LYS+ 65 33.333% * 8.7727% (0.19 1.56 0.48) = 8.773% kept QE PHE 59 - HN LYS+ 65 33.333% * 1.0626% (0.42 0.09 0.02) = 1.063% kept Peak 418 (4.22, 6.90, 114.80 ppm): 3 chemical-shift based assignments, quality = 0.645, support = 0.86, residual support = 1.33: HA ASP- 62 - HN LYS+ 65 33.333% * 69.8986% (0.64 1.05 1.78) = 69.899% kept HB THR 26 - HN LYS+ 65 33.333% * 29.4025% (0.68 0.42 0.29) = 29.403% kept HA SER 117 - HN LYS+ 65 33.333% * 0.6989% (0.34 0.02 0.02) = 0.699% Peak 419 (6.91, 7.27, 117.25 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.67, residual support = 24.9: T HN LYS+ 65 - HN LYS+ 66 100.000% *100.0000% (0.92 10.00 4.67 24.95) = 100.000% kept Peak 420 (4.08, 7.27, 117.25 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.5, residual support = 87.0: O HA LYS+ 66 - HN LYS+ 66 100.000% *100.0000% (0.92 10.0 4.50 87.00) = 100.000% kept Peak 421 (6.95, 7.34, 119.88 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 0.02, residual support = 0.02: HD22 ASN 28 - HN LEU 67 100.000% *100.0000% (0.32 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 422 (4.99, 7.34, 119.88 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 5.48, residual support = 30.6: O HA LEU 67 - HN LEU 67 100.000% *100.0000% (1.00 10.0 5.48 30.56) = 100.000% kept Peak 423 (4.08, 7.34, 119.88 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.58, residual support = 12.0: O HA LYS+ 66 - HN LEU 67 100.000% *100.0000% (0.92 10.0 4.58 11.99) = 100.000% kept Peak 424 (7.97, 8.82, 114.58 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.24, residual support = 14.0: T HN VAL 70 - HN ASN 69 100.000% *100.0000% (0.73 10.00 4.24 13.99) = 100.000% kept Peak 425 (4.69, 8.82, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.545, support = 4.29, residual support = 46.9: O HA ASN 69 - HN ASN 69 33.333% * 99.8311% (0.55 10.0 4.30 47.01) = 99.831% kept HA HIS 22 - HN ASN 69 33.333% * 0.1328% (0.73 1.0 0.02 0.02) = 0.133% HA VAL 43 - HN ASN 69 33.333% * 0.0362% (0.20 1.0 0.02 0.02) = 0.036% Peak 426 (6.65, 7.68, 113.30 ppm): 2 chemical-shift based assignments, quality = 0.469, support = 2.46, residual support = 47.0: O T HD22 ASN 69 - HD21 ASN 69 50.000% * 99.9611% (0.47 10.0 10.00 2.46 47.01) = 99.961% kept HE22 GLN 30 - HD21 ASN 69 50.000% * 0.0389% (0.18 1.0 1.00 0.02 0.02) = 0.039% Peak 427 (7.69, 6.66, 113.30 ppm): 3 chemical-shift based assignments, quality = 0.47, support = 2.41, residual support = 45.8: O T HD21 ASN 69 - HD22 ASN 69 33.333% * 97.4629% (0.47 10.0 10.00 2.46 47.01) = 97.463% kept HN GLN 17 - HD22 ASN 69 33.333% * 2.4341% (0.56 1.0 1.00 0.42 0.02) = 2.434% kept HN TRP 87 - HD22 ASN 69 33.333% * 0.1030% (0.50 1.0 1.00 0.02 0.02) = 0.103% Peak 428 (6.97, 7.98, 124.64 ppm): 2 chemical-shift based assignments, quality = 0.204, support = 2.11, residual support = 32.6: QE PHE 72 - HN VAL 70 50.000% * 95.0158% (0.16 2.22 34.28) = 95.016% kept HD22 ASN 28 - HN VAL 70 50.000% * 4.9842% (0.96 0.02 0.02) = 4.984% kept Peak 429 (8.83, 7.98, 124.64 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.24, residual support = 14.0: T HN ASN 69 - HN VAL 70 100.000% *100.0000% (0.73 10.00 4.24 13.99) = 100.000% kept Peak 430 (4.73, 7.98, 124.64 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.933, residual support = 0.933: HA PRO 68 - HN VAL 70 100.000% *100.0000% (0.98 0.93 0.93) = 100.000% kept Peak 431 (4.00, 7.98, 124.64 ppm): 7 chemical-shift based assignments, quality = 0.662, support = 3.97, residual support = 61.3: O HA VAL 70 - HN VAL 70 14.286% * 99.3070% (0.67 10.0 4.00 61.72) = 99.307% kept HA LYS+ 33 - HN VAL 70 14.286% * 0.1481% (1.00 1.0 0.02 0.02) = 0.148% HA GLU- 29 - HN VAL 70 14.286% * 0.1423% (0.96 1.0 0.02 0.02) = 0.142% HA VAL 18 - HN VAL 70 14.286% * 0.1374% (0.92 1.0 0.02 2.03) = 0.137% HB2 SER 82 - HN VAL 70 14.286% * 0.1244% (0.84 1.0 0.02 0.02) = 0.124% HA GLN 116 - HN VAL 70 14.286% * 0.0993% (0.67 1.0 0.02 0.02) = 0.099% HA SER 48 - HN VAL 70 14.286% * 0.0414% (0.28 1.0 0.02 0.02) = 0.041% Peak 432 (4.65, 8.15, 128.27 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.39, residual support = 132.4: O HA LEU 71 - HN LEU 71 100.000% *100.0000% (1.00 10.0 6.39 132.43) = 100.000% kept Peak 433 (4.01, 8.15, 128.27 ppm): 7 chemical-shift based assignments, quality = 0.985, support = 5.48, residual support = 34.2: O HA VAL 70 - HN LEU 71 14.286% * 95.6145% (1.00 10.0 5.70 35.72) = 95.614% kept HA VAL 18 - HN LEU 71 14.286% * 2.3816% (0.43 1.0 1.16 0.02) = 2.382% kept HA GLN 116 - HN LEU 71 14.286% * 1.8380% (1.00 1.0 0.38 0.02) = 1.838% kept HA LYS+ 33 - HN LEU 71 14.286% * 0.0694% (0.73 1.0 0.02 0.02) = 0.069% HA GLU- 29 - HN LEU 71 14.286% * 0.0465% (0.49 1.0 0.02 0.02) = 0.047% HB2 SER 82 - HN LEU 71 14.286% * 0.0310% (0.32 1.0 0.02 0.02) = 0.031% HB2 SER 37 - HN LEU 71 14.286% * 0.0189% (0.20 1.0 0.02 0.02) = 0.019% Peak 434 (4.88, 8.15, 128.27 ppm): 3 chemical-shift based assignments, quality = 0.905, support = 1.17, residual support = 1.08: HA VAL 41 - HN LEU 71 33.333% * 73.2155% (1.00 1.34 1.29) = 73.215% kept HA HIS 122 - HN LEU 71 33.333% * 26.4789% (0.67 0.72 0.52) = 26.479% kept HA PHE 45 - HN LEU 71 33.333% * 0.3056% (0.28 0.02 0.02) = 0.306% Peak 435 (8.93, 8.15, 128.27 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.54, residual support = 2.73: HN ILE 19 - HN LEU 71 33.333% * 77.4544% (0.96 2.84 2.91) = 77.454% kept HN LEU 73 - HN LEU 71 33.333% * 16.8665% (0.32 1.82 2.83) = 16.866% kept HN VAL 42 - HN LEU 71 33.333% * 5.6791% (0.32 0.61 0.02) = 5.679% kept Peak 436 (6.67, 9.36, 127.59 ppm): 3 chemical-shift based assignments, quality = 0.216, support = 4.37, residual support = 64.0: QD PHE 72 - HN PHE 72 33.333% * 82.9587% (0.16 5.20 77.18) = 82.959% kept HD22 ASN 69 - HN PHE 72 33.333% * 16.3139% (0.49 0.35 0.02) = 16.314% kept QE PHE 45 - HN PHE 72 33.333% * 0.7274% (0.38 0.02 0.02) = 0.727% Peak 437 (5.26, 9.36, 127.59 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 4.74, residual support = 77.2: O HA PHE 72 - HN PHE 72 100.000% *100.0000% (0.24 10.0 4.74 77.18) = 100.000% kept Peak 438 (4.65, 9.36, 127.59 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.41, residual support = 17.5: O HA LEU 71 - HN PHE 72 100.000% *100.0000% (1.00 10.0 5.41 17.54) = 100.000% kept Peak 439 (4.83, 9.36, 127.59 ppm): 2 chemical-shift based assignments, quality = 0.822, support = 0.582, residual support = 0.743: HA ASP- 78 - HN PHE 72 50.000% * 76.8525% (0.92 0.65 0.96) = 76.852% kept HA THR 23 - HN PHE 72 50.000% * 23.1475% (0.49 0.37 0.02) = 23.148% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 440 (7.61, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.847, support = 0.266, residual support = 0.425: HD21 ASN 28 - HN LEU 73 33.333% * 67.1604% (0.96 0.30 0.34) = 67.160% kept HZ2 TRP 87 - HN LEU 73 33.333% * 17.8449% (0.98 0.08 0.02) = 17.845% kept QE PHE 60 - HN LEU 73 33.333% * 14.9946% (0.20 0.33 1.28) = 14.995% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 441 (5.57, 8.95, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 6.47, residual support = 112.6: O HA LEU 73 - HN LEU 73 100.000% *100.0000% (0.88 10.0 6.47 112.60) = 100.000% kept Peak 442 (5.26, 8.95, 120.59 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 4.18, residual support = 28.1: O HA PHE 72 - HN LEU 73 100.000% *100.0000% (0.24 10.0 4.18 28.12) = 100.000% kept Peak 443 (4.66, 8.95, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.595, support = 2.47, residual support = 2.53: HA LEU 71 - HN LEU 73 50.000% * 83.3745% (0.67 2.66 2.83) = 83.374% kept HA VAL 43 - HN LEU 73 50.000% * 16.6255% (0.24 1.50 1.03) = 16.626% kept Peak 444 (7.90, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.233, support = 0.0859, residual support = 0.02: T HN ILE 119 - HN LYS+ 74 33.333% * 89.7187% (0.20 10.00 0.09 0.02) = 89.719% kept HN SER 37 - HN LYS+ 74 33.333% * 6.0934% (0.63 1.00 0.02 0.02) = 6.093% kept HN ILE 89 - HN LYS+ 74 33.333% * 4.1879% (0.43 1.00 0.02 0.02) = 4.188% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 445 (8.94, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.504, support = 3.05, residual support = 10.4: HN LEU 73 - HN LYS+ 74 33.333% * 63.6442% (0.55 3.61 15.04) = 63.644% kept HN ILE 19 - HN LYS+ 74 33.333% * 29.9460% (0.39 2.43 2.70) = 29.946% kept HN VAL 42 - HN LYS+ 74 33.333% * 6.4098% (0.55 0.36 0.02) = 6.410% kept Peak 446 (5.56, 8.48, 121.30 ppm): 1 chemical-shift based assignment, quality = 0.654, support = 3.96, residual support = 15.0: O HA LEU 73 - HN LYS+ 74 100.000% *100.0000% (0.65 10.0 3.96 15.04) = 100.000% kept Peak 447 (4.90, 8.48, 121.30 ppm): 2 chemical-shift based assignments, quality = 0.405, support = 0.687, residual support = 0.537: HA MET 92 - HN LYS+ 74 50.000% * 68.5439% (0.51 0.61 0.58) = 68.544% kept HA HIS 122 - HN LYS+ 74 50.000% * 31.4561% (0.17 0.86 0.43) = 31.456% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 448 (4.63, 8.48, 121.30 ppm): 2 chemical-shift based assignments, quality = 0.594, support = 2.71, residual support = 3.62: HA ALA 20 - HN LYS+ 74 50.000% * 87.6274% (0.65 2.87 3.84) = 87.627% kept HA LEU 71 - HN LYS+ 74 50.000% * 12.3726% (0.17 1.59 2.00) = 12.373% kept Peak 449 (4.91, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.363, support = 4.85, residual support = 13.2: O HA LYS+ 74 - HN VAL 75 50.000% * 94.2243% (0.32 10.0 5.13 13.99) = 94.224% kept HA MET 92 - HN VAL 75 50.000% * 5.7757% (1.00 1.0 0.40 0.02) = 5.776% kept Peak 450 (4.99, 9.10, 128.88 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 0.02, residual support = 2.49: HA LEU 67 - HN ASP- 76 100.000% *100.0000% (1.00 0.02 2.49) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 451 (4.50, 9.14, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.373, support = 2.99, residual support = 7.04: O HA VAL 107 - HN VAL 108 25.000% * 99.4807% (0.38 10.0 3.00 7.08) = 99.481% kept HA TRP 27 - HN VAL 108 25.000% * 0.2447% (0.92 1.0 0.02 0.02) = 0.245% HA ALA 91 - HN VAL 108 25.000% * 0.1608% (0.61 1.0 0.02 0.02) = 0.161% HA PRO 52 - HN VAL 108 25.000% * 0.1139% (0.43 1.0 0.02 0.02) = 0.114% Peak 452 (8.52, 9.27, 119.07 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 4.58, residual support = 18.2: T HN ASP- 78 - HN THR 77 50.000% * 99.9661% (0.96 10.00 4.58 18.18) = 99.966% kept HN VAL 75 - HN THR 77 50.000% * 0.0339% (0.32 1.00 0.02 0.90) = 0.034% Peak 453 (9.28, 8.52, 119.25 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 4.58, residual support = 18.2: T HN THR 77 - HN ASP- 78 100.000% *100.0000% (1.00 10.00 4.58 18.18) = 100.000% kept Peak 454 (8.02, 8.52, 119.25 ppm): 2 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 16.6: T HN GLU- 79 - HN ASP- 78 50.000% * 99.9320% (0.98 10.00 3.55 16.56) = 99.932% kept HN THR 94 - HN ASP- 78 50.000% * 0.0680% (0.67 1.00 0.02 0.02) = 0.068% Peak 455 (8.53, 8.02, 121.50 ppm): 2 chemical-shift based assignments, quality = 0.509, support = 3.51, residual support = 16.3: T HN ASP- 78 - HN GLU- 79 50.000% * 98.6900% (0.51 10.00 3.55 16.56) = 98.690% kept HN VAL 75 - HN GLU- 79 50.000% * 1.3100% (0.51 1.00 0.27 0.02) = 1.310% kept Peak 458 (4.27, 8.02, 121.50 ppm): 9 chemical-shift based assignments, quality = 0.595, support = 3.93, residual support = 41.7: O HA GLU- 79 - HN GLU- 79 11.111% * 99.5863% (0.60 10.0 3.94 41.85) = 99.586% kept HA THR 39 - HN GLU- 79 11.111% * 0.1016% (0.61 1.0 0.02 0.02) = 0.102% HA1 GLY 51 - HN GLU- 79 11.111% * 0.0971% (0.58 1.0 0.02 0.02) = 0.097% HA ALA 57 - HN GLU- 79 11.111% * 0.0555% (0.33 1.0 0.02 0.02) = 0.055% HA ILE 103 - HN GLU- 79 11.111% * 0.0495% (0.30 1.0 0.02 0.02) = 0.049% HA SER 85 - HN GLU- 79 11.111% * 0.0330% (0.20 1.0 0.02 0.74) = 0.033% HB THR 77 - HN GLU- 79 11.111% * 0.0330% (0.20 1.0 0.02 0.02) = 0.033% HA ASP- 44 - HN GLU- 79 11.111% * 0.0240% (0.14 1.0 0.02 0.02) = 0.024% HA MET 11 - HN GLU- 79 11.111% * 0.0201% (0.12 1.0 0.02 0.02) = 0.020% Peak 459 (4.86, 8.02, 121.50 ppm): 2 chemical-shift based assignments, quality = 0.51, support = 0.02, residual support = 0.02: HA PHE 45 - HN GLU- 79 50.000% * 80.6121% (0.60 0.02 0.02) = 80.612% kept HA VAL 41 - HN GLU- 79 50.000% * 19.3879% (0.14 0.02 0.02) = 19.388% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 460 (5.00, 9.27, 119.07 ppm): 2 chemical-shift based assignments, quality = 0.253, support = 3.87, residual support = 7.57: O HA ASP- 76 - HN THR 77 50.000% * 96.4760% (0.24 10.0 4.01 7.84) = 96.476% kept HA LEU 67 - HN THR 77 50.000% * 3.5240% (0.73 1.0 0.24 0.02) = 3.524% kept Peak 461 (4.58, 9.27, 119.07 ppm): 6 chemical-shift based assignments, quality = 0.541, support = 0.527, residual support = 0.728: HA ALA 47 - HN THR 77 16.667% * 53.9543% (0.28 0.90 1.33) = 53.954% kept HA CYS 50 - HN THR 77 16.667% * 21.5297% (0.96 0.10 0.02) = 21.530% kept HA1 GLY 109 - HN THR 77 16.667% * 16.0878% (0.92 0.08 0.02) = 16.088% kept HA VAL 108 - HN THR 77 16.667% * 3.4547% (0.16 0.10 0.02) = 3.455% kept HA TRP 49 - HN THR 77 16.667% * 3.1249% (0.73 0.02 0.02) = 3.125% kept HA CYS 21 - HN THR 77 16.667% * 1.8486% (0.43 0.02 0.02) = 1.849% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 462 (4.45, 9.27, 119.07 ppm): 4 chemical-shift based assignments, quality = 0.68, support = 0.573, residual support = 1.16: HA VAL 42 - HN THR 77 25.000% * 86.5347% (0.73 0.64 1.33) = 86.535% kept HA ALA 110 - HN THR 77 25.000% * 9.1781% (0.28 0.18 0.02) = 9.178% kept HA PHE 55 - HN THR 77 25.000% * 2.6938% (0.73 0.02 0.02) = 2.694% kept HA GLN 90 - HN THR 77 25.000% * 1.5935% (0.43 0.02 0.10) = 1.594% kept Peak 463 (4.29, 9.27, 119.07 ppm): 8 chemical-shift based assignments, quality = 0.542, support = 3.55, residual support = 30.0: O HB THR 77 - HN THR 77 12.500% * 99.2593% (0.55 10.0 3.57 30.21) = 99.259% kept HA MET 11 - HN THR 77 12.500% * 0.1320% (0.73 1.0 0.02 0.02) = 0.132% HA ASP- 44 - HN THR 77 12.500% * 0.1212% (0.67 1.0 0.02 0.02) = 0.121% HA ALA 12 - HN THR 77 12.500% * 0.1212% (0.67 1.0 0.02 0.02) = 0.121% HA ASP- 86 - HN THR 77 12.500% * 0.1102% (0.61 1.0 0.02 0.02) = 0.110% HA SER 85 - HN THR 77 12.500% * 0.0993% (0.55 1.0 0.02 0.02) = 0.099% HA GLU- 14 - HN THR 77 12.500% * 0.0885% (0.49 1.0 0.02 0.02) = 0.088% HA ILE 103 - HN THR 77 12.500% * 0.0682% (0.38 1.0 0.02 0.02) = 0.068% Peak 465 (8.07, 7.29, 121.74 ppm): 5 chemical-shift based assignments, quality = 0.482, support = 2.82, residual support = 6.88: T HN ALA 34 - HN LYS+ 81 20.000% * 57.6455% (0.55 10.00 2.19 2.21) = 57.646% kept T HN LEU 80 - HN LYS+ 81 20.000% * 39.6192% (0.38 10.00 3.86 14.17) = 39.619% kept HN GLN 32 - HN LYS+ 81 20.000% * 2.7037% (0.67 1.00 0.77 0.02) = 2.704% kept HN SER 85 - HN LYS+ 81 20.000% * 0.0174% (0.16 1.00 0.02 0.02) = 0.017% HN CYS 53 - HN LYS+ 81 20.000% * 0.0143% (0.14 1.00 0.02 0.02) = 0.014% Peak 466 (8.64, 7.29, 121.74 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 8.84: T HN SER 82 - HN LYS+ 81 50.000% * 99.9764% (1.00 10.00 2.99 8.85) = 99.976% kept HN GLY 16 - HN LYS+ 81 50.000% * 0.0236% (0.24 1.00 0.02 0.02) = 0.024% Peak 467 (4.82, 7.29, 121.74 ppm): 4 chemical-shift based assignments, quality = 0.49, support = 3.46, residual support = 12.4: O HA LEU 80 - HN LYS+ 81 25.000% * 87.4707% (0.43 10.0 3.86 14.17) = 87.471% kept HA ASP- 78 - HN LYS+ 81 25.000% * 6.6810% (0.88 1.0 0.74 0.36) = 6.681% kept HA THR 23 - HN LYS+ 81 25.000% * 5.8002% (0.96 1.0 0.60 0.02) = 5.800% kept HB THR 23 - HN LYS+ 81 25.000% * 0.0480% (0.24 1.0 0.02 0.02) = 0.048% Peak 468 (4.10, 7.29, 121.74 ppm): 4 chemical-shift based assignments, quality = 0.972, support = 4.66, residual support = 75.4: O HA LYS+ 81 - HN LYS+ 81 25.000% * 99.2113% (0.98 10.0 4.70 75.96) = 99.211% kept HA GLU- 36 - HN LYS+ 81 25.000% * 0.6719% (0.88 1.0 0.15 0.02) = 0.672% HA ALA 124 - HN LYS+ 81 25.000% * 0.0675% (0.67 1.0 0.02 0.02) = 0.068% HA ARG+ 54 - HN LYS+ 81 25.000% * 0.0493% (0.49 1.0 0.02 0.02) = 0.049% Peak 469 (4.17, 8.64, 114.33 ppm): 3 chemical-shift based assignments, quality = 0.94, support = 0.634, residual support = 0.341: HA CYS 53 - HN SER 82 33.333% * 62.5783% (0.96 0.75 0.44) = 62.578% kept HA ILE 19 - HN SER 82 33.333% * 36.3630% (0.92 0.45 0.18) = 36.363% kept HA GLU- 25 - HN SER 82 33.333% * 1.0587% (0.61 0.02 0.02) = 1.059% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 470 (4.78, 8.64, 114.33 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 471 (6.59, 8.64, 114.33 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 14.6: T HN VAL 83 - HN SER 82 50.000% * 99.9513% (1.00 10.00 4.22 14.65) = 99.951% kept HN CYS 50 - HN SER 82 50.000% * 0.0487% (0.49 1.00 0.02 0.02) = 0.049% Peak 472 (7.29, 8.64, 114.33 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 2.98, residual support = 8.81: HN LYS+ 81 - HN SER 82 50.000% * 99.5942% (1.00 2.99 8.85) = 99.594% kept QD PHE 60 - HN SER 82 50.000% * 0.4058% (0.61 0.02 0.02) = 0.406% Peak 473 (7.58, 6.59, 123.60 ppm): 5 chemical-shift based assignments, quality = 0.733, support = 6.1, residual support = 30.0: T HN ALA 84 - HN VAL 83 20.000% * 99.1182% (0.74 10.00 6.16 30.25) = 99.118% kept HE21 GLN 32 - HN VAL 83 20.000% * 0.7006% (0.50 1.00 0.21 0.02) = 0.701% HN LYS+ 111 - HN VAL 83 20.000% * 0.0991% (0.74 1.00 0.02 0.02) = 0.099% HN ILE 56 - HN VAL 83 20.000% * 0.0492% (0.37 1.00 0.02 0.02) = 0.049% HN LEU 63 - HN VAL 83 20.000% * 0.0328% (0.25 1.00 0.02 0.02) = 0.033% Peak 474 (8.64, 6.59, 123.60 ppm): 2 chemical-shift based assignments, quality = 0.753, support = 4.21, residual support = 14.6: T HN SER 82 - HN VAL 83 50.000% * 99.7017% (0.75 10.00 4.22 14.65) = 99.702% kept HN GLY 16 - HN VAL 83 50.000% * 0.2983% (0.18 1.00 0.25 0.02) = 0.298% Peak 475 (8.05, 7.58, 119.96 ppm): 2 chemical-shift based assignments, quality = 0.976, support = 2.66, residual support = 13.6: T HN SER 85 - HN ALA 84 50.000% * 98.4803% (0.98 10.00 2.69 13.80) = 98.480% kept HN GLN 32 - HN ALA 84 50.000% * 1.5197% (0.73 1.00 0.42 0.02) = 1.520% kept Peak 476 (6.59, 7.58, 119.96 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 30.2: T HN VAL 83 - HN ALA 84 50.000% * 99.9513% (1.00 10.00 6.16 30.25) = 99.951% kept HN CYS 50 - HN ALA 84 50.000% * 0.0487% (0.49 1.00 0.02 0.02) = 0.049% Peak 477 (4.11, 7.58, 119.96 ppm): 6 chemical-shift based assignments, quality = 0.748, support = 0.576, residual support = 0.296: HA LYS+ 81 - HN ALA 84 16.667% * 35.0839% (0.61 0.82 0.26) = 35.084% kept HA ARG+ 54 - HN ALA 84 16.667% * 27.5109% (0.92 0.42 0.22) = 27.511% kept HA ALA 124 - HN ALA 84 16.667% * 26.2019% (1.00 0.37 0.02) = 26.202% kept HA ASN 28 - HN ALA 84 16.667% * 10.3609% (0.20 0.74 1.37) = 10.361% kept HA GLU- 36 - HN ALA 84 16.667% * 0.6091% (0.43 0.02 0.02) = 0.609% HA LEU 115 - HN ALA 84 16.667% * 0.2332% (0.16 0.02 0.02) = 0.233% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 478 (4.16, 6.59, 123.60 ppm): 4 chemical-shift based assignments, quality = 0.556, support = 1.73, residual support = 1.77: HA CYS 53 - HN VAL 83 25.000% * 79.9896% (0.63 2.00 2.19) = 79.990% kept HA ILE 19 - HN VAL 83 25.000% * 13.8107% (0.32 0.67 0.12) = 13.811% kept HA GLU- 25 - HN VAL 83 25.000% * 5.7335% (0.12 0.73 0.02) = 5.734% kept HA THR 26 - HN VAL 83 25.000% * 0.4661% (0.37 0.02 0.02) = 0.466% Peak 479 (8.06, 6.59, 123.60 ppm): 3 chemical-shift based assignments, quality = 0.422, support = 1.64, residual support = 3.02: T HN SER 85 - HN VAL 83 33.333% * 95.1783% (0.41 10.00 1.70 3.17) = 95.178% kept HN GLN 32 - HN VAL 83 33.333% * 3.7829% (0.75 1.00 0.37 0.02) = 3.783% kept HN ALA 34 - HN VAL 83 33.333% * 1.0388% (0.12 1.00 0.62 0.02) = 1.039% kept Peak 480 (8.63, 7.58, 119.96 ppm): 3 chemical-shift based assignments, quality = 0.714, support = 3.07, residual support = 3.31: HN SER 82 - HN ALA 84 33.333% * 97.4158% (0.73 3.15 3.39) = 97.416% kept HN GLN 90 - HN ALA 84 33.333% * 1.6224% (0.43 0.09 0.02) = 1.622% kept HN ILE 103 - HN ALA 84 33.333% * 0.9618% (0.20 0.11 0.02) = 0.962% Peak 481 (8.32, 8.05, 111.48 ppm): 5 chemical-shift based assignments, quality = 0.633, support = 2.44, residual support = 6.49: HN ASP- 86 - HN SER 85 20.000% * 70.5723% (0.61 3.06 9.08) = 70.572% kept HN GLN 30 - HN SER 85 20.000% * 28.2180% (0.73 1.02 0.31) = 28.218% kept HN GLU- 14 - HN SER 85 20.000% * 0.5531% (0.73 0.02 0.02) = 0.553% HE1 HIS 122 - HN SER 85 20.000% * 0.3707% (0.49 0.02 0.02) = 0.371% HN LYS+ 99 - HN SER 85 20.000% * 0.2859% (0.38 0.02 0.02) = 0.286% Peak 482 (7.59, 8.05, 111.48 ppm): 5 chemical-shift based assignments, quality = 0.781, support = 2.63, residual support = 13.4: T HN ALA 84 - HN SER 85 20.000% * 97.0000% (0.78 10.00 2.69 13.80) = 97.000% kept HN LEU 63 - HN SER 85 20.000% * 2.6356% (0.84 1.00 0.51 0.02) = 2.636% kept HE21 GLN 32 - HN SER 85 20.000% * 0.1488% (0.20 1.00 0.12 0.02) = 0.149% HN ILE 56 - HN SER 85 20.000% * 0.1185% (0.96 1.00 0.02 0.02) = 0.118% HN LYS+ 111 - HN SER 85 20.000% * 0.0970% (0.78 1.00 0.02 0.02) = 0.097% Peak 483 (6.58, 8.05, 111.48 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 1.7, residual support = 3.17: T HN VAL 83 - HN SER 85 50.000% * 99.9781% (0.73 10.00 1.70 3.17) = 99.978% kept HN CYS 50 - HN SER 85 50.000% * 0.0219% (0.14 1.00 0.02 0.02) = 0.022% Peak 484 (4.29, 8.05, 111.48 ppm): 10 chemical-shift based assignments, quality = 0.944, support = 2.66, residual support = 13.5: O HA SER 85 - HN SER 85 10.000% * 95.4269% (0.98 10.0 2.66 13.85) = 95.427% kept HA ASP- 86 - HN SER 85 10.000% * 2.9569% (0.16 1.0 3.69 9.08) = 2.957% kept HA GLU- 79 - HN SER 85 10.000% * 1.1852% (0.32 1.0 0.75 0.74) = 1.185% kept HA ASP- 44 - HN SER 85 10.000% * 0.0974% (1.00 1.0 0.02 0.02) = 0.097% HA MET 11 - HN SER 85 10.000% * 0.0969% (1.00 1.0 0.02 0.02) = 0.097% HB THR 77 - HN SER 85 10.000% * 0.0954% (0.98 1.0 0.02 0.02) = 0.095% HA ILE 103 - HN SER 85 10.000% * 0.0859% (0.88 1.0 0.02 0.02) = 0.086% HA THR 39 - HN SER 85 10.000% * 0.0230% (0.24 1.0 0.02 0.02) = 0.023% HA ALA 12 - HN SER 85 10.000% * 0.0193% (0.20 1.0 0.02 0.02) = 0.019% HA1 GLY 51 - HN SER 85 10.000% * 0.0132% (0.14 1.0 0.02 0.02) = 0.013% Peak 485 (4.15, 8.05, 111.48 ppm): 4 chemical-shift based assignments, quality = 0.935, support = 0.769, residual support = 0.732: HA THR 26 - HN SER 85 25.000% * 97.1998% (0.96 0.79 0.75) = 97.200% kept HA GLU- 114 - HN SER 85 25.000% * 1.2511% (0.49 0.02 0.02) = 1.251% kept HA CYS 53 - HN SER 85 25.000% * 0.8345% (0.32 0.02 0.02) = 0.834% HA1 GLY 101 - HN SER 85 25.000% * 0.7147% (0.28 0.02 0.02) = 0.715% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 486 (8.05, 8.31, 124.24 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 3.0, residual support = 8.85: T HN SER 85 - HN ASP- 86 50.000% * 97.4922% (0.98 10.00 3.06 9.08) = 97.492% kept HN GLN 32 - HN ASP- 86 50.000% * 2.5078% (0.73 1.00 0.69 0.02) = 2.508% kept Peak 487 (7.69, 8.31, 124.24 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 3.14, residual support = 12.2: T HN TRP 87 - HN ASP- 86 33.333% * 99.7930% (0.88 10.00 3.14 12.19) = 99.793% kept HN GLN 17 - HN ASP- 86 33.333% * 0.1125% (1.00 1.00 0.02 0.02) = 0.113% HD21 ASN 69 - HN ASP- 86 33.333% * 0.0945% (0.84 1.00 0.02 0.02) = 0.094% Peak 488 (4.31, 8.31, 124.24 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 3.65, residual support = 32.0: O HA ASP- 86 - HN ASP- 86 25.000% * 99.6671% (0.73 10.0 3.66 32.07) = 99.667% kept HA LEU 104 - HN ASP- 86 25.000% * 0.1267% (0.92 1.0 0.02 0.02) = 0.127% HA GLU- 14 - HN ASP- 86 25.000% * 0.1146% (0.84 1.0 0.02 0.02) = 0.115% HA ALA 12 - HN ASP- 86 25.000% * 0.0915% (0.67 1.0 0.02 0.02) = 0.092% Peak 489 (8.31, 7.69, 117.92 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 3.06, residual support = 11.8: T HN ASP- 86 - HN TRP 87 25.000% * 96.8110% (1.00 10.00 3.14 12.19) = 96.811% kept HN GLU- 29 - HN TRP 87 25.000% * 2.1518% (0.49 1.00 0.91 0.81) = 2.152% kept HN GLN 30 - HN TRP 87 25.000% * 1.0142% (1.00 1.00 0.21 0.02) = 1.014% kept HN GLU- 14 - HN TRP 87 25.000% * 0.0229% (0.24 1.00 0.02 0.17) = 0.023% Peak 490 (4.33, 7.69, 117.92 ppm): 2 chemical-shift based assignments, quality = 0.782, support = 3.69, residual support = 62.7: O HA TRP 87 - HN TRP 87 50.000% * 99.9451% (0.78 10.0 3.70 62.78) = 99.945% kept HA LEU 104 - HN TRP 87 50.000% * 0.0549% (0.43 1.0 0.02 0.02) = 0.055% Peak 491 (7.73, 10.56, 128.74 ppm): 4 chemical-shift based assignments, quality = 0.626, support = 1.64, residual support = 40.9: HE3 TRP 87 - HE1 TRP 87 25.000% * 64.1296% (0.49 2.39 62.78) = 64.130% kept HN ALA 61 - HE1 TRP 87 25.000% * 16.7453% (0.92 0.33 0.39) = 16.745% kept HN TRP 27 - HE1 TRP 87 25.000% * 14.4916% (0.78 0.34 3.96) = 14.492% kept HN ALA 91 - HE1 TRP 87 25.000% * 4.6335% (0.98 0.09 0.02) = 4.633% kept Peak 492 (6.74, 10.56, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 1.05, residual support = 3.96: HZ2 TRP 27 - HE1 TRP 87 100.000% *100.0000% (0.61 1.05 3.96) = 100.000% kept Peak 493 (4.31, 7.82, 121.71 ppm): 4 chemical-shift based assignments, quality = 0.837, support = 0.109, residual support = 0.02: HA LEU 104 - HN ALA 88 25.000% * 44.6024% (0.92 0.14 0.02) = 44.602% kept HA ASP- 86 - HN ALA 88 25.000% * 26.7864% (0.73 0.10 0.02) = 26.786% kept HA GLU- 14 - HN ALA 88 25.000% * 23.8740% (0.84 0.08 0.02) = 23.874% kept HA ALA 12 - HN ALA 88 25.000% * 4.7371% (0.67 0.02 0.02) = 4.737% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 494 (4.32, 7.91, 118.70 ppm): 5 chemical-shift based assignments, quality = 0.506, support = 0.232, residual support = 3.12: HA LEU 104 - HN ILE 89 20.000% * 36.6597% (0.88 0.16 0.02) = 36.660% kept HA TRP 87 - HN ILE 89 20.000% * 29.3953% (0.32 0.34 10.57) = 29.395% kept HA ASP- 86 - HN ILE 89 20.000% * 19.1455% (0.24 0.31 0.02) = 19.145% kept HA GLU- 14 - HN ILE 89 20.000% * 9.9909% (0.32 0.12 0.02) = 9.991% kept HA ALA 12 - HN ILE 89 20.000% * 4.8087% (0.20 0.09 0.02) = 4.809% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 495 (7.72, 8.62, 127.39 ppm): 4 chemical-shift based assignments, quality = 0.808, support = 5.43, residual support = 19.6: HN ALA 91 - HN GLN 90 25.000% * 88.1107% (0.84 6.08 22.13) = 88.111% kept HN ALA 61 - HN GLN 90 25.000% * 5.8106% (0.92 0.36 0.02) = 5.811% kept HN TRP 27 - HN GLN 90 25.000% * 5.7581% (0.32 1.02 0.96) = 5.758% kept HE3 TRP 87 - HN GLN 90 25.000% * 0.3205% (0.92 0.02 0.13) = 0.320% Peak 496 (4.48, 8.62, 127.39 ppm): 4 chemical-shift based assignments, quality = 0.698, support = 2.72, residual support = 18.9: HA ALA 91 - HN GLN 90 25.000% * 85.0145% (0.73 3.10 22.13) = 85.015% kept HA TRP 27 - HN GLN 90 25.000% * 10.3852% (0.38 0.73 0.96) = 10.385% kept HA VAL 107 - HN GLN 90 25.000% * 4.4761% (0.92 0.13 0.02) = 4.476% kept HA ALA 110 - HN GLN 90 25.000% * 0.1242% (0.16 0.02 0.02) = 0.124% Peak 497 (6.79, 7.39, 112.01 ppm): 2 chemical-shift based assignments, quality = 0.828, support = 0.992, residual support = 70.7: O T HE22 GLN 90 - HE21 GLN 90 50.000% * 99.2078% (0.83 10.0 10.00 1.00 71.31) = 99.208% kept T HE22 GLN 32 - HE21 GLN 90 50.000% * 0.7922% (0.67 1.0 10.00 0.02 0.02) = 0.792% Peak 498 (7.38, 6.80, 112.00 ppm): 4 chemical-shift based assignments, quality = 0.543, support = 0.995, residual support = 71.0: O T HE21 GLN 90 - HE22 GLN 90 25.000% * 99.5336% (0.55 10.0 10.00 1.00 71.31) = 99.534% kept T HE21 GLN 90 - HE22 GLN 32 25.000% * 0.3724% (0.20 1.0 10.00 0.02 0.02) = 0.372% HD21 ASN 35 - HE22 GLN 90 25.000% * 0.0684% (0.38 1.0 1.00 0.02 0.02) = 0.068% HD21 ASN 35 - HE22 GLN 32 25.000% * 0.0256% (0.14 1.0 1.00 0.02 0.02) = 0.026% Peak 499 (8.62, 7.72, 122.85 ppm): 6 chemical-shift based assignments, quality = 0.84, support = 5.8, residual support = 21.0: T HN GLN 90 - HN ALA 91 16.667% * 94.7242% (0.88 10.00 6.08 22.13) = 94.724% kept T HN GLN 90 - HN TRP 27 16.667% * 4.7745% (0.09 10.00 1.02 0.96) = 4.774% kept HN ILE 103 - HN ALA 91 16.667% * 0.4629% (1.00 1.00 0.09 0.02) = 0.463% HN GLY 109 - HN ALA 91 16.667% * 0.0253% (0.24 1.00 0.02 0.02) = 0.025% HN ILE 103 - HN TRP 27 16.667% * 0.0106% (0.10 1.00 0.02 0.02) = 0.011% HN GLY 109 - HN TRP 27 16.667% * 0.0025% (0.02 1.00 0.02 0.02) = 0.002% Peak 500 (5.58, 7.72, 122.85 ppm): 2 chemical-shift based assignments, quality = 0.125, support = 0.429, residual support = 2.03: HA LEU 73 - HN TRP 27 50.000% * 73.8842% (0.04 0.57 2.75) = 73.884% kept HA LEU 73 - HN ALA 91 50.000% * 26.1158% (0.38 0.02 0.02) = 26.116% kept Not enough quality. Peak unassigned. Peak 501 (4.49, 7.72, 122.85 ppm): 6 chemical-shift based assignments, quality = 0.918, support = 3.59, residual support = 19.4: O HA ALA 91 - HN ALA 91 16.667% * 90.2655% (1.00 10.0 3.51 13.61) = 90.265% kept O HA TRP 27 - HN TRP 27 16.667% * 7.8991% (0.09 10.0 5.21 89.72) = 7.899% kept HA TRP 27 - HN ALA 91 16.667% * 1.4583% (0.88 1.0 0.36 0.02) = 1.458% kept HA ALA 91 - HN TRP 27 16.667% * 0.2892% (0.10 1.0 0.65 0.02) = 0.289% HA VAL 107 - HN ALA 91 16.667% * 0.0801% (0.88 1.0 0.02 0.02) = 0.080% HA VAL 107 - HN TRP 27 16.667% * 0.0079% (0.09 1.0 0.02 0.29) = 0.008% Peak 502 (7.73, 8.46, 118.59 ppm): 4 chemical-shift based assignments, quality = 0.967, support = 3.26, residual support = 11.5: HN ALA 91 - HN MET 92 25.000% * 98.6632% (0.98 3.30 11.67) = 98.663% kept HN ALA 61 - HN MET 92 25.000% * 0.5628% (0.92 0.02 0.02) = 0.563% HN TRP 27 - HN MET 92 25.000% * 0.4772% (0.78 0.02 0.02) = 0.477% HE3 TRP 87 - HN MET 92 25.000% * 0.2968% (0.49 0.02 0.02) = 0.297% Peak 503 (4.88, 8.46, 118.59 ppm): 2 chemical-shift based assignments, quality = 0.851, support = 0.02, residual support = 0.02: HA HIS 122 - HN MET 92 50.000% * 62.2459% (1.00 0.02 0.02) = 62.246% kept HA VAL 41 - HN MET 92 50.000% * 37.7541% (0.61 0.02 0.02) = 37.754% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 504 (4.50, 8.46, 118.59 ppm): 4 chemical-shift based assignments, quality = 0.605, support = 3.28, residual support = 11.6: O HA ALA 91 - HN MET 92 25.000% * 99.7159% (0.61 10.0 3.29 11.67) = 99.716% kept HA TRP 27 - HN MET 92 25.000% * 0.1518% (0.92 1.0 0.02 0.02) = 0.152% HA PRO 52 - HN MET 92 25.000% * 0.0706% (0.43 1.0 0.02 0.02) = 0.071% HA VAL 107 - HN MET 92 25.000% * 0.0617% (0.38 1.0 0.02 0.02) = 0.062% Peak 505 (8.75, 8.03, 115.19 ppm): 2 chemical-shift based assignments, quality = 0.891, support = 3.24, residual support = 14.1: T HN PHE 45 - HN THR 94 50.000% * 92.7621% (0.88 10.00 3.39 15.13) = 92.762% kept HN ALA 110 - HN THR 94 50.000% * 7.2379% (1.00 1.00 1.38 0.85) = 7.238% 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 = 0.987, support = 0.566, residual support = 0.56: HA MET 92 - HN THR 94 50.000% * 98.8726% (1.00 0.57 0.57) = 98.873% kept HA LYS+ 74 - HN THR 94 50.000% * 1.1274% (0.32 0.02 0.02) = 1.127% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 509 (9.56, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.915, support = 1.98, residual support = 24.3: HN VAL 107 - HN PHE 95 50.000% * 99.1033% (0.92 2.00 24.55) = 99.103% kept HN GLY 51 - HN PHE 95 50.000% * 0.8967% (0.84 0.02 0.02) = 0.897% Peak 510 (7.01, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.722, support = 3.82, residual support = 69.8: QD PHE 95 - HN PHE 95 50.000% * 99.4813% (0.73 3.84 70.16) = 99.481% kept HN ALA 47 - HN PHE 95 50.000% * 0.5187% (0.73 0.02 1.90) = 0.519% Peak 511 (5.96, 9.87, 125.46 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.3, residual support = 70.2: O HA PHE 95 - HN PHE 95 100.000% *100.0000% (1.00 10.0 4.30 70.16) = 100.000% kept Peak 512 (4.94, 9.87, 125.46 ppm): 2 chemical-shift based assignments, quality = 0.375, support = 2.8, residual support = 10.9: O HA THR 94 - HN PHE 95 50.000% * 99.8547% (0.38 10.0 2.80 10.96) = 99.855% kept HA LYS+ 74 - HN PHE 95 50.000% * 0.1453% (0.55 1.0 0.02 0.02) = 0.145% Peak 513 (5.96, 9.32, 123.66 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 3.18, residual support = 6.35: O HA PHE 95 - HN MET 96 100.000% *100.0000% (0.88 10.0 3.18 6.35) = 100.000% kept Peak 514 (5.31, 9.32, 123.66 ppm): 1 chemical-shift based assignment, quality = 0.865, support = 3.75, residual support = 106.2: O HA MET 96 - HN MET 96 100.000% *100.0000% (0.87 10.0 3.75 106.22) = 100.000% kept Peak 515 (7.80, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 4.89, residual support = 45.7: T HN ASP- 105 - HN PHE 97 100.000% *100.0000% (1.00 10.00 4.89 45.70) = 100.000% kept Peak 516 (7.12, 8.40, 123.79 ppm): 3 chemical-shift based assignments, quality = 0.612, support = 3.36, residual support = 48.3: QD PHE 97 - HN PHE 97 33.333% * 92.6242% (0.61 3.61 52.15) = 92.624% kept HZ3 TRP 87 - HN PHE 97 33.333% * 6.8630% (0.73 0.22 0.02) = 6.863% kept HE3 TRP 49 - HN PHE 97 33.333% * 0.5128% (0.61 0.02 0.02) = 0.513% Peak 517 (5.62, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 1.92, residual support = 8.02: HA LYS+ 106 - HN PHE 97 100.000% *100.0000% (0.96 1.92 8.02) = 100.000% kept Peak 518 (5.31, 8.40, 123.79 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 5.39, residual support = 26.5: O HA MET 96 - HN PHE 97 100.000% *100.0000% (0.98 10.0 5.39 26.51) = 100.000% kept Peak 519 (9.01, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 3.94, residual support = 11.1: T HN VAL 41 - HN LEU 98 100.000% *100.0000% (0.43 10.00 3.94 11.13) = 100.000% kept Peak 520 (5.50, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 4.05, residual support = 59.4: O HA LEU 98 - HN LEU 98 100.000% *100.0000% (0.61 10.0 4.05 59.44) = 100.000% kept Peak 521 (5.36, 9.69, 125.68 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 2.95, residual support = 8.56: O HA PHE 97 - HN LEU 98 100.000% *100.0000% (0.96 10.0 2.95 8.56) = 100.000% kept Peak 522 (4.42, 9.69, 125.68 ppm): 8 chemical-shift based assignments, quality = 0.567, support = 0.844, residual support = 2.35: HA LEU 40 - HN LEU 98 12.500% * 39.5447% (0.24 1.62 5.83) = 39.545% kept HA THR 46 - HN LEU 98 12.500% * 34.4932% (0.98 0.34 0.12) = 34.493% kept HA VAL 42 - HN LEU 98 12.500% * 11.4665% (0.16 0.67 0.02) = 11.467% kept HA GLN 17 - HN LEU 98 12.500% * 9.6692% (0.92 0.10 0.02) = 9.669% kept HA SER 37 - HN LEU 98 12.500% * 1.9153% (0.92 0.02 0.02) = 1.915% kept HA SER 13 - HN LEU 98 12.500% * 1.0099% (0.49 0.02 0.02) = 1.010% kept HA GLU- 15 - HN LEU 98 12.500% * 1.0099% (0.49 0.02 0.02) = 1.010% kept HA PRO 58 - HN LEU 98 12.500% * 0.8912% (0.43 0.02 0.02) = 0.891% Peak 523 (7.77, 8.33, 118.17 ppm): 3 chemical-shift based assignments, quality = 0.717, support = 0.02, residual support = 0.02: HN LYS+ 102 - HN LYS+ 99 33.333% * 54.3288% (0.88 0.02 0.02) = 54.329% kept HN GLU- 36 - HN LYS+ 99 33.333% * 37.3396% (0.61 0.02 0.02) = 37.340% kept HD1 TRP 87 - HN LYS+ 99 33.333% * 8.3316% (0.14 0.02 0.02) = 8.332% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 524 (5.51, 8.33, 118.17 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 3.76, residual support = 10.3: O HA LEU 98 - HN LYS+ 99 100.000% *100.0000% (0.98 10.0 3.76 10.29) = 100.000% kept Peak 525 (4.37, 8.33, 118.17 ppm): 6 chemical-shift based assignments, quality = 0.622, support = 4.53, residual support = 135.2: O HA LYS+ 99 - HN LYS+ 99 16.667% * 93.7592% (0.61 10.0 4.79 144.19) = 93.759% kept HA ASP- 113 - HN LYS+ 99 16.667% * 4.9564% (1.00 1.0 0.64 0.02) = 4.956% kept HA ASN 35 - HN LYS+ 99 16.667% * 1.1535% (0.38 1.0 0.40 2.09) = 1.153% kept HA PHE 59 - HN LYS+ 99 16.667% * 0.0502% (0.32 1.0 0.02 2.81) = 0.050% HA ILE 56 - HN LYS+ 99 16.667% * 0.0502% (0.32 1.0 0.02 0.02) = 0.050% HA LEU 123 - HN LYS+ 99 16.667% * 0.0306% (0.20 1.0 0.02 0.02) = 0.031% Peak 526 (8.85, 10.11, 128.03 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 3.06, residual support = 12.5: T HN GLY 101 - HN GLU- 100 100.000% *100.0000% (1.00 10.00 3.06 12.51) = 100.000% kept Peak 527 (4.37, 10.11, 128.03 ppm): 5 chemical-shift based assignments, quality = 0.968, support = 6.41, residual support = 24.2: O HA LYS+ 99 - HN GLU- 100 20.000% * 97.1247% (0.98 10.0 6.59 24.88) = 97.125% kept HA ASN 35 - HN GLU- 100 20.000% * 1.9474% (0.84 1.0 0.47 0.02) = 1.947% kept HA ASP- 113 - HN GLU- 100 20.000% * 0.7903% (0.78 1.0 0.20 0.02) = 0.790% HA ILE 56 - HN GLU- 100 20.000% * 0.0776% (0.78 1.0 0.02 0.02) = 0.078% HA LEU 123 - HN GLU- 100 20.000% * 0.0601% (0.61 1.0 0.02 0.02) = 0.060% Peak 529 (7.77, 8.85, 104.25 ppm): 3 chemical-shift based assignments, quality = 0.849, support = 1.54, residual support = 4.96: HN LYS+ 102 - HN GLY 101 33.333% * 88.0494% (0.88 1.71 5.63) = 88.049% kept HN GLU- 36 - HN GLY 101 33.333% * 11.7924% (0.61 0.33 0.02) = 11.792% kept HD1 TRP 87 - HN GLY 101 33.333% * 0.1581% (0.14 0.02 0.02) = 0.158% Peak 530 (8.33, 7.76, 120.90 ppm): 3 chemical-shift based assignments, quality = 0.773, support = 0.0527, residual support = 0.02: HN GLU- 14 - HN LYS+ 102 33.333% * 58.0762% (0.67 0.08 0.02) = 58.076% kept HN LYS+ 99 - HN LYS+ 102 33.333% * 21.7999% (0.96 0.02 0.02) = 21.800% kept HE1 HIS 122 - HN LYS+ 102 33.333% * 20.1239% (0.88 0.02 0.02) = 20.124% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 531 (8.85, 7.76, 120.90 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 1.71, residual support = 5.63: T HN GLY 101 - HN LYS+ 102 100.000% *100.0000% (1.00 10.00 1.71 5.63) = 100.000% kept Peak 532 (10.10, 8.85, 104.25 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 3.06, residual support = 12.5: T HN GLU- 100 - HN GLY 101 100.000% *100.0000% (0.61 10.00 3.06 12.51) = 100.000% kept Peak 533 (4.37, 8.85, 104.25 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 1.36, residual support = 1.03: HA LYS+ 99 - HN GLY 101 20.000% * 82.6617% (0.98 1.58 1.24) = 82.662% kept HA ASN 35 - HN GLY 101 20.000% * 15.0261% (0.84 0.34 0.02) = 15.026% kept HA ASP- 113 - HN GLY 101 20.000% * 0.8333% (0.78 0.02 0.02) = 0.833% HA ILE 56 - HN GLY 101 20.000% * 0.8333% (0.78 0.02 0.02) = 0.833% HA LEU 123 - HN GLY 101 20.000% * 0.6457% (0.61 0.02 0.02) = 0.646% Peak 534 (4.14, 8.85, 104.25 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 2.88, residual support = 8.53: O HA1 GLY 101 - HN GLY 101 16.667% * 99.6421% (1.00 10.0 2.89 8.56) = 99.642% kept HA ALA 34 - HN GLY 101 16.667% * 0.0924% (0.92 1.0 0.02 0.02) = 0.092% HA GLU- 114 - HN GLY 101 16.667% * 0.0884% (0.88 1.0 0.02 0.02) = 0.088% HA LEU 115 - HN GLY 101 16.667% * 0.0727% (0.73 1.0 0.02 0.02) = 0.073% HA ASN 28 - HN GLY 101 16.667% * 0.0668% (0.67 1.0 0.02 0.02) = 0.067% HA THR 26 - HN GLY 101 16.667% * 0.0376% (0.38 1.0 0.02 0.02) = 0.038% Peak 535 (9.36, 8.62, 122.05 ppm): 2 chemical-shift based assignments, quality = 0.408, support = 4.35, residual support = 23.1: HN LEU 104 - HN ILE 103 50.000% * 72.2666% (0.20 5.85 31.83) = 72.267% kept HN PHE 72 - HN ILE 103 50.000% * 27.7334% (0.96 0.46 0.30) = 27.733% kept Peak 536 (4.60, 8.62, 122.05 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 4.74, residual support = 17.3: O HA LYS+ 102 - HN ILE 103 33.333% * 99.9321% (0.92 10.0 4.75 17.31) = 99.932% kept HA CYS 21 - HN ILE 103 33.333% * 0.0465% (0.43 1.0 0.02 0.45) = 0.047% HA TRP 49 - HN ILE 103 33.333% * 0.0214% (0.20 1.0 0.02 1.16) = 0.021% Peak 537 (4.28, 8.62, 122.05 ppm): 9 chemical-shift based assignments, quality = 0.948, support = 6.76, residual support = 122.2: O HA ILE 103 - HN ILE 103 11.111% * 99.1556% (0.96 10.0 6.82 123.24) = 99.156% kept HA GLU- 79 - HN ILE 103 11.111% * 0.3930% (0.78 1.0 0.10 0.02) = 0.393% HB THR 77 - HN ILE 103 11.111% * 0.0866% (0.84 1.0 0.02 0.02) = 0.087% HA SER 85 - HN ILE 103 11.111% * 0.0866% (0.84 1.0 0.02 0.02) = 0.087% HA ASP- 44 - HN ILE 103 11.111% * 0.0753% (0.73 1.0 0.02 0.02) = 0.075% HA THR 39 - HN ILE 103 11.111% * 0.0692% (0.67 1.0 0.02 0.02) = 0.069% HA MET 11 - HN ILE 103 11.111% * 0.0692% (0.67 1.0 0.02 0.02) = 0.069% HA1 GLY 51 - HN ILE 103 11.111% * 0.0505% (0.49 1.0 0.02 0.02) = 0.050% HA ALA 57 - HN ILE 103 11.111% * 0.0140% (0.14 1.0 0.02 0.02) = 0.014% Peak 538 (7.80, 9.38, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 4.54, residual support = 15.9: T HN ASP- 105 - HN LEU 104 100.000% *100.0000% (1.00 10.00 4.54 15.91) = 100.000% kept Peak 539 (5.50, 9.38, 128.74 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.65, residual support = 7.45: HA LEU 98 - HN LEU 104 100.000% *100.0000% (0.61 2.65 7.45) = 100.000% kept Peak 540 (4.29, 9.38, 128.74 ppm): 10 chemical-shift based assignments, quality = 0.881, support = 5.91, residual support = 31.0: O HA ILE 103 - HN LEU 104 10.000% * 97.2993% (0.88 10.0 6.07 31.83) = 97.299% kept HA MET 11 - HN LEU 104 10.000% * 2.2576% (1.00 1.0 0.41 0.02) = 2.258% kept HA ASP- 44 - HN LEU 104 10.000% * 0.1103% (1.00 1.0 0.02 0.02) = 0.110% HB THR 77 - HN LEU 104 10.000% * 0.1081% (0.98 1.0 0.02 0.02) = 0.108% HA SER 85 - HN LEU 104 10.000% * 0.1081% (0.98 1.0 0.02 0.02) = 0.108% HA GLU- 79 - HN LEU 104 10.000% * 0.0358% (0.32 1.0 0.02 0.02) = 0.036% HA THR 39 - HN LEU 104 10.000% * 0.0260% (0.24 1.0 0.02 0.02) = 0.026% HA ALA 12 - HN LEU 104 10.000% * 0.0218% (0.20 1.0 0.02 0.02) = 0.022% HA ASP- 86 - HN LEU 104 10.000% * 0.0181% (0.16 1.0 0.02 0.02) = 0.018% HA1 GLY 51 - HN LEU 104 10.000% * 0.0149% (0.14 1.0 0.02 0.02) = 0.015% Peak 541 (8.39, 7.80, 116.22 ppm): 3 chemical-shift based assignments, quality = 0.482, support = 4.67, residual support = 43.4: T HN PHE 97 - HN ASP- 105 33.333% * 94.8873% (0.49 10.00 4.89 45.70) = 94.887% kept HN ALA 12 - HN ASP- 105 33.333% * 4.2344% (0.49 1.00 0.89 0.24) = 4.234% kept HN LEU 115 - HN ASP- 105 33.333% * 0.8784% (0.49 1.00 0.19 0.02) = 0.878% Peak 542 (9.39, 7.80, 116.22 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.54, residual support = 15.9: T HN LEU 104 - HN ASP- 105 100.000% *100.0000% (0.73 10.00 4.54 15.91) = 100.000% kept Peak 543 (5.63, 8.97, 118.18 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 4.33, residual support = 101.0: O HA LYS+ 106 - HN LYS+ 106 100.000% *100.0000% (0.88 10.0 4.33 101.04) = 100.000% kept Peak 544 (4.80, 8.97, 118.18 ppm): 4 chemical-shift based assignments, quality = 0.833, support = 2.7, residual support = 14.1: O HA ASP- 105 - HN LYS+ 106 25.000% * 99.7370% (0.84 10.0 2.71 14.16) = 99.737% kept HB THR 23 - HN LYS+ 106 25.000% * 0.1188% (1.00 1.0 0.02 0.02) = 0.119% HA LEU 80 - HN LYS+ 106 25.000% * 0.1054% (0.88 1.0 0.02 0.02) = 0.105% HA THR 23 - HN LYS+ 106 25.000% * 0.0388% (0.32 1.0 0.02 0.02) = 0.039% Peak 545 (4.80, 7.80, 116.22 ppm): 4 chemical-shift based assignments, quality = 0.833, support = 3.59, residual support = 31.9: O HA ASP- 105 - HN ASP- 105 25.000% * 99.7370% (0.84 10.0 3.60 31.96) = 99.737% kept HB THR 23 - HN ASP- 105 25.000% * 0.1188% (1.00 1.0 0.02 0.02) = 0.119% HA LEU 80 - HN ASP- 105 25.000% * 0.1054% (0.88 1.0 0.02 0.02) = 0.105% HA THR 23 - HN ASP- 105 25.000% * 0.0388% (0.32 1.0 0.02 0.02) = 0.039% Peak 546 (4.29, 7.80, 116.22 ppm): 8 chemical-shift based assignments, quality = 0.534, support = 0.821, residual support = 0.218: HA ILE 103 - HN ASP- 105 12.500% * 44.0258% (0.38 1.44 0.37) = 44.026% kept HA MET 11 - HN ASP- 105 12.500% * 24.8285% (0.73 0.42 0.02) = 24.829% kept HA ALA 12 - HN ASP- 105 12.500% * 19.7608% (0.67 0.36 0.24) = 19.761% kept HA ASP- 86 - HN ASP- 105 12.500% * 4.3124% (0.61 0.09 0.02) = 4.312% kept HA SER 85 - HN ASP- 105 12.500% * 4.3109% (0.55 0.10 0.02) = 4.311% kept HA ASP- 44 - HN ASP- 105 12.500% * 1.0836% (0.67 0.02 0.02) = 1.084% kept HB THR 77 - HN ASP- 105 12.500% * 0.8872% (0.55 0.02 0.02) = 0.887% HA GLU- 14 - HN ASP- 105 12.500% * 0.7908% (0.49 0.02 0.02) = 0.791% Peak 547 (7.14, 9.57, 125.50 ppm): 2 chemical-shift based assignments, quality = 0.723, support = 0.594, residual support = 2.86: QD PHE 97 - HN VAL 107 50.000% * 97.3350% (0.73 0.61 2.94) = 97.335% kept HZ3 TRP 87 - HN VAL 107 50.000% * 2.6650% (0.61 0.02 0.02) = 2.665% kept Peak 548 (5.62, 9.57, 125.50 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.81, residual support = 21.2: O HA LYS+ 106 - HN VAL 107 100.000% *100.0000% (0.96 10.0 3.81 21.24) = 100.000% kept Peak 549 (4.49, 9.57, 125.50 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 3.49, residual support = 48.0: O HA VAL 107 - HN VAL 107 33.333% * 99.7877% (0.88 10.0 3.49 48.13) = 99.788% kept HA ALA 91 - HN VAL 107 33.333% * 0.1125% (1.00 1.0 0.02 0.02) = 0.113% HA TRP 27 - HN VAL 107 33.333% * 0.0998% (0.88 1.0 0.02 0.29) = 0.100% Peak 550 (7.14, 7.80, 116.22 ppm): 2 chemical-shift based assignments, quality = 0.713, support = 4.48, residual support = 40.7: QD PHE 97 - HN ASP- 105 50.000% * 89.1222% (0.73 4.94 45.70) = 89.122% kept HZ3 TRP 87 - HN ASP- 105 50.000% * 10.8778% (0.61 0.72 0.02) = 10.878% kept Peak 551 (4.93, 8.60, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.718, support = 0.747, residual support = 1.19: HA LYS+ 74 - HN GLY 109 50.000% * 99.5433% (0.72 0.75 1.19) = 99.543% kept HA MET 92 - HN GLY 109 50.000% * 0.4567% (0.12 0.02 0.02) = 0.457% Peak 552 (4.58, 8.60, 114.88 ppm): 6 chemical-shift based assignments, quality = 0.593, support = 1.78, residual support = 8.13: O HA1 GLY 109 - HN GLY 109 16.667% * 81.8424% (0.70 10.0 1.63 9.21) = 81.842% kept O HA VAL 108 - HN GLY 109 16.667% * 17.8976% (0.12 10.0 2.52 3.31) = 17.898% kept HA CYS 50 - HN GLY 109 16.667% * 0.1040% (0.72 1.0 0.02 0.02) = 0.104% HA TRP 49 - HN GLY 109 16.667% * 0.0790% (0.55 1.0 0.02 0.02) = 0.079% HA CYS 21 - HN GLY 109 16.667% * 0.0467% (0.32 1.0 0.02 0.02) = 0.047% HA ALA 47 - HN GLY 109 16.667% * 0.0303% (0.21 1.0 0.02 0.02) = 0.030% Peak 553 (7.59, 8.75, 122.21 ppm): 5 chemical-shift based assignments, quality = 0.781, support = 2.51, residual support = 6.28: T HN LYS+ 111 - HN ALA 110 20.000% * 98.4263% (0.78 10.00 2.55 6.38) = 98.426% kept HN LEU 63 - HN ALA 110 20.000% * 1.3302% (0.84 1.00 0.25 0.02) = 1.330% kept HN ILE 56 - HN ALA 110 20.000% * 0.1202% (0.96 1.00 0.02 0.90) = 0.120% HN ALA 84 - HN ALA 110 20.000% * 0.0984% (0.78 1.00 0.02 0.02) = 0.098% HE21 GLN 32 - HN ALA 110 20.000% * 0.0249% (0.20 1.00 0.02 0.02) = 0.025% Peak 554 (4.57, 8.75, 122.21 ppm): 5 chemical-shift based assignments, quality = 0.444, support = 1.7, residual support = 4.62: O HA1 GLY 109 - HN ALA 110 20.000% * 90.7696% (0.43 10.0 1.76 5.08) = 90.770% kept HA VAL 108 - HN ALA 110 20.000% * 8.8683% (0.61 1.0 1.22 0.11) = 8.868% kept HA ALA 47 - HN ALA 110 20.000% * 0.1883% (0.78 1.0 0.02 0.02) = 0.188% HA CYS 50 - HN ALA 110 20.000% * 0.1171% (0.49 1.0 0.02 0.02) = 0.117% HA TRP 49 - HN ALA 110 20.000% * 0.0567% (0.24 1.0 0.02 0.02) = 0.057% Peak 555 (4.49, 8.75, 122.21 ppm): 3 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02: HA ALA 91 - HN ALA 110 33.333% * 36.0511% (1.00 0.02 0.02) = 36.051% kept HA VAL 107 - HN ALA 110 33.333% * 31.9745% (0.88 0.02 0.02) = 31.974% kept HA TRP 27 - HN ALA 110 33.333% * 31.9745% (0.88 0.02 0.02) = 31.974% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 556 (8.49, 7.58, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 3.72, residual support = 20.0: T HN LYS+ 112 - HN LYS+ 111 33.333% * 99.8919% (0.98 10.00 3.72 19.99) = 99.892% kept HN MET 11 - HN LYS+ 111 33.333% * 0.0798% (0.78 1.00 0.02 0.02) = 0.080% HN LYS+ 74 - HN LYS+ 111 33.333% * 0.0283% (0.28 1.00 0.02 0.02) = 0.028% Peak 557 (8.75, 7.58, 125.75 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 2.49, residual support = 6.2: T HN ALA 110 - HN LYS+ 111 50.000% * 96.3566% (1.00 10.00 2.55 6.38) = 96.357% kept HN PHE 45 - HN LYS+ 111 50.000% * 3.6434% (0.88 1.00 0.85 1.41) = 3.643% kept Peak 558 (6.86, 7.58, 125.75 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 1.21, residual support = 1.41: QD PHE 45 - HN LYS+ 111 100.000% *100.0000% (1.00 1.21 1.41) = 100.000% kept Peak 559 (4.48, 7.58, 125.75 ppm): 4 chemical-shift based assignments, quality = 0.317, support = 2.03, residual support = 4.77: O HA ALA 110 - HN LYS+ 111 25.000% * 73.9910% (0.16 10.0 2.55 6.38) = 73.991% kept HA VAL 107 - HN LYS+ 111 25.000% * 11.6016% (0.92 1.0 0.56 0.43) = 11.602% kept HA ALA 91 - HN LYS+ 111 25.000% * 9.6905% (0.73 1.0 0.59 0.02) = 9.690% kept HA TRP 27 - HN LYS+ 111 25.000% * 4.7169% (0.38 1.0 0.56 0.02) = 4.717% kept Peak 560 (4.54, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.234, support = 6.59, residual support = 19.5: O HA LYS+ 111 - HN LYS+ 112 33.333% * 97.3385% (0.24 10.0 6.75 19.99) = 97.339% kept HA ALA 47 - HN LYS+ 112 33.333% * 2.5467% (0.16 1.0 0.75 0.02) = 2.547% kept HA VAL 108 - HN LYS+ 112 33.333% * 0.1148% (0.28 1.0 0.02 0.02) = 0.115% Peak 561 (8.17, 8.43, 117.70 ppm): 5 chemical-shift based assignments, quality = 0.745, support = 3.17, residual support = 14.3: T HN GLU- 114 - HN ASP- 113 20.000% * 93.6837% (0.75 10.00 3.29 15.22) = 93.684% kept HN GLN 116 - HN ASP- 113 20.000% * 5.9953% (0.67 1.00 1.44 0.74) = 5.995% kept HN THR 118 - HN ASP- 113 20.000% * 0.2722% (0.32 1.00 0.14 0.02) = 0.272% HN LEU 71 - HN ASP- 113 20.000% * 0.0345% (0.28 1.00 0.02 0.02) = 0.034% HN PHE 60 - HN ASP- 113 20.000% * 0.0144% (0.12 1.00 0.02 0.02) = 0.014% Peak 562 (8.43, 8.16, 121.97 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 3.29, residual support = 15.2: T HN ASP- 113 - HN GLU- 114 100.000% *100.0000% (1.00 10.00 3.29 15.22) = 100.000% kept Peak 563 (4.15, 8.16, 121.97 ppm): 6 chemical-shift based assignments, quality = 0.892, support = 3.57, residual support = 28.1: O HA GLU- 114 - HN GLU- 114 16.667% * 95.5577% (0.92 10.0 3.59 28.68) = 95.558% kept HA LEU 115 - HN GLU- 114 16.667% * 4.2108% (0.24 1.0 3.45 16.54) = 4.211% kept HA THR 26 - HN GLU- 114 16.667% * 0.0914% (0.88 1.0 0.02 0.02) = 0.091% HA1 GLY 101 - HN GLU- 114 16.667% * 0.0752% (0.73 1.0 0.02 0.02) = 0.075% HA ALA 34 - HN GLU- 114 16.667% * 0.0445% (0.43 1.0 0.02 0.02) = 0.044% HA ASN 28 - HN GLU- 114 16.667% * 0.0205% (0.20 1.0 0.02 0.02) = 0.020% Peak 564 (4.53, 8.43, 117.70 ppm): 1 chemical-shift based assignment, quality = 0.619, support = 1.51, residual support = 2.62: HA LYS+ 111 - HN ASP- 113 100.000% *100.0000% (0.62 1.51 2.62) = 100.000% kept Peak 565 (4.37, 8.43, 117.70 ppm): 6 chemical-shift based assignments, quality = 0.847, support = 3.12, residual support = 13.3: O HA ASP- 113 - HN ASP- 113 16.667% * 99.8165% (0.85 10.0 3.13 13.36) = 99.817% kept HA LYS+ 99 - HN ASP- 113 16.667% * 0.0608% (0.52 1.0 0.02 0.02) = 0.061% HA ASN 35 - HN ASP- 113 16.667% * 0.0377% (0.32 1.0 0.02 0.02) = 0.038% HA PHE 59 - HN ASP- 113 16.667% * 0.0326% (0.28 1.0 0.02 0.02) = 0.033% HA ILE 56 - HN ASP- 113 16.667% * 0.0326% (0.28 1.0 0.02 0.02) = 0.033% HA LEU 123 - HN ASP- 113 16.667% * 0.0199% (0.17 1.0 0.02 0.02) = 0.020% Peak 566 (8.18, 8.40, 122.87 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 5.78, residual support = 48.6: T HN GLN 116 - HN LEU 115 25.000% * 82.5992% (0.98 10.00 6.38 57.37) = 82.599% kept HN GLU- 114 - HN LEU 115 25.000% * 7.2639% (0.38 1.00 4.59 16.54) = 7.264% kept HN THR 118 - HN LEU 115 25.000% * 6.6300% (0.88 1.00 1.78 0.45) = 6.630% kept HN PHE 60 - HN LEU 115 25.000% * 3.5069% (0.55 1.00 1.52 0.02) = 3.507% kept Peak 567 (8.39, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 6.21, residual support = 55.6: T HN LEU 115 - HN GLN 116 50.000% * 96.9202% (0.96 10.00 6.38 57.37) = 96.920% kept HN PHE 97 - HN GLN 116 50.000% * 3.0798% (0.96 1.00 0.64 0.02) = 3.080% kept Peak 568 (8.67, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.919, support = 4.0, residual support = 19.0: T HN SER 117 - HN GLN 116 50.000% * 98.5543% (0.92 10.00 4.05 19.28) = 98.554% kept HN GLY 16 - HN GLN 116 50.000% * 1.4457% (0.61 1.00 0.45 0.02) = 1.446% kept Peak 569 (8.18, 8.66, 115.11 ppm): 4 chemical-shift based assignments, quality = 0.918, support = 2.91, residual support = 11.3: T HN GLN 116 - HN SER 117 25.000% * 53.0736% (0.98 10.00 4.05 19.28) = 53.074% kept T HN THR 118 - HN SER 117 25.000% * 42.1005% (0.88 10.00 1.76 2.61) = 42.100% kept T HN PHE 60 - HN SER 117 25.000% * 4.8056% (0.55 10.00 0.33 0.02) = 4.806% kept HN GLU- 114 - HN SER 117 25.000% * 0.0203% (0.38 1.00 0.02 0.12) = 0.020% Peak 570 (6.84, 7.41, 111.00 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 1.95, residual support = 87.0: O HE22 GLN 116 - HE21 GLN 116 33.333% * 99.8656% (0.88 10.0 1.95 87.15) = 99.866% kept HD2 HIS 122 - HE21 GLN 116 33.333% * 0.1071% (0.92 1.0 0.02 0.02) = 0.107% QD PHE 45 - HE21 GLN 116 33.333% * 0.0273% (0.24 1.0 0.02 0.02) = 0.027% Peak 571 (7.42, 6.83, 111.00 ppm): 3 chemical-shift based assignments, quality = 0.784, support = 1.93, residual support = 86.1: O T HE21 GLN 116 - HE22 GLN 116 33.333% * 98.7377% (0.78 10.0 10.00 1.95 87.15) = 98.738% kept HN ALA 120 - HE22 GLN 116 33.333% * 1.1782% (0.96 1.0 1.00 0.20 0.02) = 1.178% kept HN ALA 57 - HE22 GLN 116 33.333% * 0.0841% (0.67 1.0 1.00 0.02 0.02) = 0.084% Peak 572 (4.37, 8.17, 116.99 ppm): 6 chemical-shift based assignments, quality = 0.744, support = 0.691, residual support = 0.425: HA ASP- 113 - HN GLN 116 16.667% * 52.0032% (1.00 0.84 0.74) = 52.003% kept HA LYS+ 99 - HN GLN 116 16.667% * 23.2553% (0.61 0.62 0.15) = 23.255% kept HA ASN 35 - HN GLN 116 16.667% * 11.6509% (0.38 0.50 0.02) = 11.651% kept HA ILE 56 - HN GLN 116 16.667% * 9.9407% (0.32 0.49 0.02) = 9.941% kept HA PHE 59 - HN GLN 116 16.667% * 2.9037% (0.32 0.14 0.11) = 2.904% kept HA LEU 123 - HN GLN 116 16.667% * 0.2462% (0.20 0.02 0.02) = 0.246% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 573 (4.01, 8.17, 116.99 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 5.64, residual support = 86.9: O HA GLN 116 - HN GLN 116 14.286% * 99.6845% (1.00 10.0 5.66 87.15) = 99.684% kept HA VAL 70 - HN GLN 116 14.286% * 0.0997% (1.00 1.0 0.02 0.02) = 0.100% HA LYS+ 33 - HN GLN 116 14.286% * 0.0724% (0.73 1.0 0.02 0.02) = 0.072% HA GLU- 29 - HN GLN 116 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HA VAL 18 - HN GLN 116 14.286% * 0.0428% (0.43 1.0 0.02 0.02) = 0.043% HB2 SER 82 - HN GLN 116 14.286% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% HB2 SER 37 - HN GLN 116 14.286% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 574 (4.13, 8.40, 122.87 ppm): 7 chemical-shift based assignments, quality = 0.827, support = 5.74, residual support = 125.8: O HA LEU 115 - HN LEU 115 14.286% * 71.0956% (1.00 10.0 6.60 170.66) = 71.096% kept O HA GLU- 114 - HN LEU 115 14.286% * 26.8167% (0.38 10.0 3.88 16.54) = 26.817% kept HA ASN 28 - HN LEU 115 14.286% * 1.9377% (1.00 1.0 0.54 0.58) = 1.938% kept HA ALA 34 - HN LEU 115 14.286% * 0.0631% (0.88 1.0 0.02 0.29) = 0.063% HA1 GLY 101 - HN LEU 115 14.286% * 0.0433% (0.61 1.0 0.02 0.02) = 0.043% HA ARG+ 54 - HN LEU 115 14.286% * 0.0268% (0.38 1.0 0.02 1.89) = 0.027% HA ALA 124 - HN LEU 115 14.286% * 0.0168% (0.24 1.0 0.02 0.02) = 0.017% Peak 575 (4.22, 8.66, 115.11 ppm): 3 chemical-shift based assignments, quality = 0.57, support = 0.295, residual support = 0.26: HB THR 26 - HN SER 117 33.333% * 89.5025% (0.55 0.33 0.29) = 89.503% kept HA ASP- 62 - HN SER 117 33.333% * 8.8483% (0.88 0.02 0.02) = 8.848% kept HA SER 82 - HN SER 117 33.333% * 1.6491% (0.16 0.02 0.02) = 1.649% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 576 (7.91, 7.43, 118.69 ppm): 4 chemical-shift based assignments, quality = 0.659, support = 4.22, residual support = 28.0: T HN ILE 119 - HN ALA 120 25.000% * 91.4769% (0.65 10.00 4.56 30.57) = 91.477% kept HN ILE 89 - HN ALA 120 25.000% * 4.1223% (0.83 1.00 0.71 0.02) = 4.122% kept HN SER 37 - HN ALA 120 25.000% * 3.4507% (0.77 1.00 0.64 0.02) = 3.451% kept T HN CYS 21 - HN ALA 120 25.000% * 0.9501% (0.14 10.00 0.10 0.02) = 0.950% Peak 577 (7.23, 7.51, 116.39 ppm): 3 chemical-shift based assignments, quality = 0.799, support = 3.2, residual support = 32.9: HN HIS 122 - HN LYS+ 121 33.333% * 92.3705% (0.80 3.44 35.57) = 92.371% kept HH2 TRP 87 - HN LYS+ 121 33.333% * 7.4553% (0.79 0.28 0.20) = 7.455% kept HN PHE 59 - HN LYS+ 121 33.333% * 0.1742% (0.26 0.02 0.02) = 0.174% Peak 578 (7.47, 7.24, 114.00 ppm): 1 chemical-shift based assignment, quality = 0.144, support = 4.63, residual support = 28.8: T HN LEU 123 - HN HIS 122 100.000% *100.0000% (0.14 10.00 4.63 28.82) = 100.000% kept Peak 579 (7.24, 7.46, 121.46 ppm): 4 chemical-shift based assignments, quality = 0.727, support = 4.32, residual support = 26.7: HN HIS 122 - HN LEU 123 25.000% * 92.7221% (0.73 4.63 28.82) = 92.722% kept HN PHE 59 - HN LEU 123 25.000% * 6.8136% (0.78 0.32 0.17) = 6.814% kept HH2 TRP 87 - HN LEU 123 25.000% * 0.3344% (0.61 0.02 0.02) = 0.334% QE PHE 59 - HN LEU 123 25.000% * 0.1300% (0.24 0.02 0.17) = 0.130% Peak 580 (4.38, 7.45, 128.80 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 3.81, residual support = 11.0: O HA LEU 123 - HN ALA 124 16.667% * 99.3863% (1.00 10.0 3.83 11.02) = 99.386% kept HA ASN 35 - HN ALA 124 16.667% * 0.3900% (0.96 1.0 0.08 0.02) = 0.390% HA ILE 56 - HN ALA 124 16.667% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HA LYS+ 99 - HN ALA 124 16.667% * 0.0782% (0.78 1.0 0.02 0.02) = 0.078% HA ASP- 113 - HN ALA 124 16.667% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HA LEU 40 - HN ALA 124 16.667% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% Peak 581 (4.11, 7.45, 128.80 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 1.66, residual support = 7.55: O HA ALA 124 - HN ALA 124 16.667% * 99.7197% (1.00 10.0 1.66 7.57) = 99.720% kept HA ARG+ 54 - HN ALA 124 16.667% * 0.1114% (0.92 1.0 0.02 0.02) = 0.111% HA LYS+ 81 - HN ALA 124 16.667% * 0.0732% (0.61 1.0 0.02 0.02) = 0.073% HA GLU- 36 - HN ALA 124 16.667% * 0.0519% (0.43 1.0 0.02 0.02) = 0.052% HA ASN 28 - HN ALA 124 16.667% * 0.0239% (0.20 1.0 0.02 0.02) = 0.024% HA LEU 115 - HN ALA 124 16.667% * 0.0199% (0.16 1.0 0.02 0.02) = 0.020% Peak 582 (4.88, 7.46, 121.46 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.66, residual support = 28.8: O HA HIS 122 - HN LEU 123 50.000% * 99.9394% (1.00 10.0 4.67 28.82) = 99.939% kept HA VAL 41 - HN LEU 123 50.000% * 0.0606% (0.61 1.0 0.02 0.54) = 0.061% Peak 583 (4.38, 7.46, 121.46 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 6.0, residual support = 181.6: O HA LEU 123 - HN LEU 123 16.667% * 99.3863% (1.00 10.0 6.04 182.76) = 99.386% kept HA ASN 35 - HN LEU 123 16.667% * 0.3900% (0.96 1.0 0.08 0.02) = 0.390% HA ILE 56 - HN LEU 123 16.667% * 0.0979% (0.98 1.0 0.02 0.02) = 0.098% HA LYS+ 99 - HN LEU 123 16.667% * 0.0782% (0.78 1.0 0.02 0.02) = 0.078% HA ASP- 113 - HN LEU 123 16.667% * 0.0278% (0.28 1.0 0.02 0.02) = 0.028% HA LEU 40 - HN LEU 123 16.667% * 0.0198% (0.20 1.0 0.02 0.34) = 0.020% Peak 584 (6.81, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.231, support = 0.02, residual support = 0.02: HE22 GLN 17 - HN HIS 122 33.333% * 42.9041% (0.28 0.02 0.02) = 42.904% kept HE22 GLN 32 - HN HIS 122 33.333% * 32.5887% (0.21 0.02 0.02) = 32.589% kept HE22 GLN 90 - HN HIS 122 33.333% * 24.5072% (0.16 0.02 0.02) = 24.507% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 585 (4.88, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.197, support = 3.64, residual support = 48.5: O HA HIS 122 - HN HIS 122 33.333% * 99.8095% (0.20 10.0 3.64 48.56) = 99.809% kept HA VAL 41 - HN HIS 122 33.333% * 0.1489% (0.29 1.0 0.02 0.02) = 0.149% HA PHE 45 - HN HIS 122 33.333% * 0.0416% (0.08 1.0 0.02 0.02) = 0.042% Peak 588 (3.95, 7.51, 116.39 ppm): 8 chemical-shift based assignments, quality = 0.613, support = 3.39, residual support = 75.0: O HA ALA 120 - HN LYS+ 121 12.500% * 73.7556% (0.74 10.0 2.29 4.59) = 73.756% kept O HA LYS+ 121 - HN LYS+ 121 12.500% * 25.9392% (0.26 10.0 6.54 276.12) = 25.939% kept QB SER 85 - HN LYS+ 121 12.500% * 0.0705% (0.71 1.0 0.02 0.02) = 0.071% HA2 GLY 16 - HN LYS+ 121 12.500% * 0.0705% (0.71 1.0 0.02 0.02) = 0.071% HA LYS+ 65 - HN LYS+ 121 12.500% * 0.0625% (0.63 1.0 0.02 0.02) = 0.063% QB SER 48 - HN LYS+ 121 12.500% * 0.0485% (0.49 1.0 0.02 0.02) = 0.048% HB THR 94 - HN LYS+ 121 12.500% * 0.0343% (0.34 1.0 0.02 0.02) = 0.034% HA2 GLY 51 - HN LYS+ 121 12.500% * 0.0188% (0.19 1.0 0.02 0.02) = 0.019% Peak 589 (3.96, 7.43, 118.69 ppm): 7 chemical-shift based assignments, quality = 0.504, support = 3.17, residual support = 8.48: O HA ALA 120 - HN ALA 120 14.286% * 99.3997% (0.51 10.0 3.18 8.53) = 99.400% kept HA LYS+ 65 - HN ALA 120 14.286% * 0.1631% (0.83 1.0 0.02 0.02) = 0.163% QB SER 85 - HN ALA 120 14.286% * 0.1631% (0.83 1.0 0.02 0.02) = 0.163% HA2 GLY 16 - HN ALA 120 14.286% * 0.1631% (0.83 1.0 0.02 0.02) = 0.163% QB SER 48 - HN ALA 120 14.286% * 0.0456% (0.23 1.0 0.02 0.02) = 0.046% HD2 PRO 52 - HN ALA 120 14.286% * 0.0386% (0.20 1.0 0.02 0.02) = 0.039% HB THR 94 - HN ALA 120 14.286% * 0.0270% (0.14 1.0 0.02 0.02) = 0.027% Peak 591 (2.52, 6.83, 111.00 ppm): 3 chemical-shift based assignments, quality = 0.21, support = 2.83, residual support = 79.4: O HG3 GLN 116 - HE22 GLN 116 33.333% * 91.1263% (0.14 10.0 3.08 87.15) = 91.126% kept HG2 GLU- 25 - HE22 GLN 116 33.333% * 8.7404% (0.99 1.0 0.26 0.02) = 8.740% kept HB3 TRP 87 - HE22 GLN 116 33.333% * 0.1333% (0.20 1.0 0.02 0.02) = 0.133% Peak 592 (1.67, 7.45, 128.80 ppm): 8 chemical-shift based assignments, quality = 0.525, support = 3.62, residual support = 10.1: HB2 LEU 123 - HN ALA 124 12.500% * 91.1784% (0.55 3.95 11.02) = 91.178% kept HB2 LYS+ 121 - HN ALA 124 12.500% * 5.6238% (0.49 0.27 0.02) = 5.624% kept QD LYS+ 102 - HN ALA 124 12.500% * 0.7461% (0.88 0.02 0.02) = 0.746% QD LYS+ 38 - HN ALA 124 12.500% * 0.7461% (0.88 0.02 0.02) = 0.746% HB VAL 83 - HN ALA 124 12.500% * 0.5639% (0.67 0.02 0.02) = 0.564% HG3 PRO 93 - HN ALA 124 12.500% * 0.5128% (0.61 0.02 0.02) = 0.513% QD LYS+ 65 - HN ALA 124 12.500% * 0.4617% (0.55 0.02 0.02) = 0.462% HD2 LYS+ 111 - HN ALA 124 12.500% * 0.1673% (0.20 0.02 0.02) = 0.167% Peak 593 (1.36, 7.45, 128.80 ppm): 12 chemical-shift based assignments, quality = 0.39, support = 1.57, residual support = 7.05: O QB ALA 124 - HN ALA 124 8.333% * 93.1224% (0.38 10.0 1.66 7.57) = 93.122% kept QB ALA 84 - HN ALA 124 8.333% * 5.5751% (0.73 1.0 0.51 0.02) = 5.575% kept HB3 PRO 93 - HN ALA 124 8.333% * 0.2339% (0.78 1.0 0.02 0.02) = 0.234% HG3 LYS+ 106 - HN ALA 124 8.333% * 0.2170% (0.73 1.0 0.02 0.02) = 0.217% HG LEU 98 - HN ALA 124 8.333% * 0.1632% (0.55 1.0 0.02 0.02) = 0.163% HB2 LYS+ 112 - HN ALA 124 8.333% * 0.1632% (0.55 1.0 0.02 0.02) = 0.163% HG3 LYS+ 102 - HN ALA 124 8.333% * 0.1284% (0.43 1.0 0.02 0.02) = 0.128% HB3 LEU 73 - HN ALA 124 8.333% * 0.1122% (0.38 1.0 0.02 0.02) = 0.112% HB VAL 42 - HN ALA 124 8.333% * 0.0831% (0.28 1.0 0.02 0.02) = 0.083% HG3 LYS+ 65 - HN ALA 124 8.333% * 0.0831% (0.28 1.0 0.02 0.02) = 0.083% HG3 LYS+ 33 - HN ALA 124 8.333% * 0.0591% (0.20 1.0 0.02 0.02) = 0.059% HB3 ASP- 44 - HN ALA 124 8.333% * 0.0591% (0.20 1.0 0.02 0.02) = 0.059% Peak 594 (3.95, 7.46, 121.46 ppm): 9 chemical-shift based assignments, quality = 0.791, support = 2.55, residual support = 4.98: HA ALA 120 - HN LEU 123 11.111% * 43.8037% (0.98 3.61 10.14) = 43.804% kept HA LYS+ 121 - HN LEU 123 11.111% * 21.6907% (0.67 2.63 1.45) = 21.691% kept QB SER 48 - HN LEU 123 11.111% * 10.1917% (0.92 0.89 0.18) = 10.192% kept QB SER 85 - HN LEU 123 11.111% * 8.7344% (0.55 1.29 0.87) = 8.734% kept HA2 GLY 16 - HN LEU 123 11.111% * 8.7344% (0.55 1.29 0.93) = 8.734% kept HA LYS+ 65 - HN LEU 123 11.111% * 6.4676% (0.43 1.22 0.74) = 6.468% kept HB THR 94 - HN LEU 123 11.111% * 0.1936% (0.78 0.02 0.02) = 0.194% HA2 GLY 51 - HN LEU 123 11.111% * 0.1351% (0.55 0.02 0.02) = 0.135% QB SER 117 - HN LEU 123 11.111% * 0.0489% (0.20 0.02 0.02) = 0.049% Peak 595 (2.76, 7.46, 121.46 ppm): 3 chemical-shift based assignments, quality = 0.919, support = 4.78, residual support = 25.0: HB3 HIS 122 - HN LEU 123 33.333% * 85.9856% (0.98 5.31 28.82) = 85.986% kept QE LYS+ 121 - HN LEU 123 33.333% * 13.9490% (0.55 1.55 1.45) = 13.949% kept HB3 ASP- 78 - HN LEU 123 33.333% * 0.0654% (0.20 0.02 0.02) = 0.065% Peak 596 (1.85, 7.46, 121.46 ppm): 11 chemical-shift based assignments, quality = 0.531, support = 5.5, residual support = 177.8: HG LEU 123 - HN LEU 123 9.091% * 97.2863% (0.55 5.65 182.76) = 97.286% kept HG3 PRO 68 - HN LEU 123 9.091% * 0.4577% (0.73 0.02 0.02) = 0.458% HB ILE 103 - HN LEU 123 9.091% * 0.4204% (0.67 0.02 0.02) = 0.420% HG2 ARG+ 54 - HN LEU 123 9.091% * 0.3823% (0.61 0.02 0.30) = 0.382% HB3 ASP- 105 - HN LEU 123 9.091% * 0.3442% (0.55 0.02 0.02) = 0.344% HB3 PRO 52 - HN LEU 123 9.091% * 0.3442% (0.55 0.02 0.02) = 0.344% QB LYS+ 33 - HN LEU 123 9.091% * 0.2366% (0.38 0.02 0.02) = 0.237% HB3 GLN 90 - HN LEU 123 9.091% * 0.1752% (0.28 0.02 0.02) = 0.175% QB LYS+ 81 - HN LEU 123 9.091% * 0.1247% (0.20 0.02 0.02) = 0.125% HG12 ILE 103 - HN LEU 123 9.091% * 0.1247% (0.20 0.02 0.02) = 0.125% QB LYS+ 106 - HN LEU 123 9.091% * 0.1037% (0.16 0.02 0.02) = 0.104% Peak 597 (1.67, 7.46, 121.46 ppm): 8 chemical-shift based assignments, quality = 0.536, support = 5.7, residual support = 160.8: O HB2 LEU 123 - HN LEU 123 12.500% * 87.8638% (0.55 10.0 6.10 182.76) = 87.864% kept HB2 LYS+ 121 - HN LEU 123 12.500% * 11.5276% (0.49 1.0 2.94 1.45) = 11.528% kept QD LYS+ 102 - HN LEU 123 12.500% * 0.1420% (0.88 1.0 0.02 0.02) = 0.142% QD LYS+ 38 - HN LEU 123 12.500% * 0.1420% (0.88 1.0 0.02 0.02) = 0.142% HB VAL 83 - HN LEU 123 12.500% * 0.1073% (0.67 1.0 0.02 0.02) = 0.107% HG3 PRO 93 - HN LEU 123 12.500% * 0.0976% (0.61 1.0 0.02 0.02) = 0.098% QD LYS+ 65 - HN LEU 123 12.500% * 0.0879% (0.55 1.0 0.02 0.74) = 0.088% HD2 LYS+ 111 - HN LEU 123 12.500% * 0.0318% (0.20 1.0 0.02 0.02) = 0.032% Peak 598 (0.85, 7.46, 121.46 ppm): 5 chemical-shift based assignments, quality = 0.784, support = 5.63, residual support = 176.2: QD1 LEU 123 - HN LEU 123 20.000% * 96.4136% (0.78 5.84 182.76) = 96.414% kept HB3 LEU 104 - HN LEU 123 20.000% * 2.9577% (0.98 0.14 0.02) = 2.958% kept QD1 LEU 71 - HN LEU 123 20.000% * 0.3302% (0.78 0.02 0.02) = 0.330% QG1 VAL 70 - HN LEU 123 20.000% * 0.1812% (0.43 0.02 0.02) = 0.181% QG1 VAL 18 - HN LEU 123 20.000% * 0.1173% (0.28 0.02 0.02) = 0.117% Peak 599 (3.45, 7.46, 121.46 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 5.02, residual support = 28.6: HB2 HIS 122 - HN LEU 123 33.333% * 99.3839% (1.00 5.05 28.82) = 99.384% kept HA LYS+ 112 - HN LEU 123 33.333% * 0.3080% (0.78 0.02 0.02) = 0.308% HB THR 46 - HN LEU 123 33.333% * 0.3080% (0.78 0.02 0.02) = 0.308% Peak 601 (3.96, 7.24, 114.00 ppm): 8 chemical-shift based assignments, quality = 0.157, support = 3.99, residual support = 20.7: O HA LYS+ 121 - HN HIS 122 12.500% * 57.7291% (0.08 10.0 5.14 35.57) = 57.729% kept HA ALA 120 - HN HIS 122 12.500% * 29.9191% (0.26 1.0 3.27 0.71) = 29.919% kept QB SER 85 - HN HIS 122 12.500% * 3.7694% (0.27 1.0 0.39 0.02) = 3.769% kept HA2 GLY 16 - HN HIS 122 12.500% * 3.7694% (0.27 1.0 0.39 0.02) = 3.769% kept HA LYS+ 65 - HN HIS 122 12.500% * 3.2236% (0.25 1.0 0.37 0.02) = 3.224% kept QB SER 48 - HN HIS 122 12.500% * 1.4705% (0.16 1.0 0.26 0.02) = 1.470% kept HB THR 94 - HN HIS 122 12.500% * 0.0779% (0.11 1.0 0.02 0.02) = 0.078% HA2 GLY 51 - HN HIS 122 12.500% * 0.0411% (0.06 1.0 0.02 0.02) = 0.041% Peak 602 (3.70, 7.24, 114.00 ppm): 5 chemical-shift based assignments, quality = 0.137, support = 3.53, residual support = 3.36: HA ILE 119 - HN HIS 122 20.000% * 59.6969% (0.16 4.20 4.00) = 59.697% kept HA THR 118 - HN HIS 122 20.000% * 28.1400% (0.10 3.33 3.43) = 28.140% kept HB2 TRP 49 - HN HIS 122 20.000% * 9.5072% (0.13 0.85 0.02) = 9.507% kept HA ALA 84 - HN HIS 122 20.000% * 2.0925% (0.06 0.41 0.02) = 2.093% kept HA VAL 75 - HN HIS 122 20.000% * 0.5635% (0.07 0.09 1.17) = 0.563% Not enough quality. Peak unassigned. Peak 603 (3.47, 7.24, 114.00 ppm): 2 chemical-shift based assignments, quality = 0.081, support = 0.138, residual support = 0.135: HA LYS+ 112 - HN HIS 122 50.000% * 89.9450% (0.08 0.15 0.15) = 89.945% kept HB2 HIS 22 - HN HIS 122 50.000% * 10.0550% (0.07 0.02 0.02) = 10.055% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 604 (2.76, 7.24, 114.00 ppm): 3 chemical-shift based assignments, quality = 0.236, support = 4.75, residual support = 47.6: O HB3 HIS 122 - HN HIS 122 33.333% * 92.8034% (0.25 10.0 4.81 48.56) = 92.803% kept QE LYS+ 121 - HN HIS 122 33.333% * 7.1549% (0.10 1.0 3.97 35.57) = 7.155% kept HB3 ASP- 78 - HN HIS 122 33.333% * 0.0417% (0.11 1.0 0.02 0.02) = 0.042% Peak 605 (1.66, 7.24, 114.00 ppm): 7 chemical-shift based assignments, quality = 0.236, support = 4.97, residual support = 32.8: HB2 LYS+ 121 - HN HIS 122 14.286% * 82.7378% (0.26 5.50 35.57) = 82.738% kept HB2 LEU 123 - HN HIS 122 14.286% * 11.7347% (0.06 3.48 28.82) = 11.735% kept QD LYS+ 65 - HN HIS 122 14.286% * 4.6126% (0.27 0.29 0.02) = 4.613% kept QD LYS+ 38 - HN HIS 122 14.286% * 0.3342% (0.29 0.02 0.02) = 0.334% HB VAL 83 - HN HIS 122 14.286% * 0.3342% (0.29 0.02 0.02) = 0.334% QD LYS+ 102 - HN HIS 122 14.286% * 0.1660% (0.14 0.02 0.02) = 0.166% HG3 PRO 93 - HN HIS 122 14.286% * 0.0804% (0.07 0.02 0.02) = 0.080% Peak 606 (1.52, 7.24, 114.00 ppm): 5 chemical-shift based assignments, quality = 0.277, support = 3.41, residual support = 30.6: HB3 LYS+ 121 - HN HIS 122 20.000% * 85.8919% (0.28 3.94 35.57) = 85.892% kept HG LEU 104 - HN HIS 122 20.000% * 5.6701% (0.28 0.26 0.91) = 5.670% kept QD LYS+ 66 - HN HIS 122 20.000% * 4.3428% (0.18 0.31 0.02) = 4.343% kept HB3 LYS+ 111 - HN HIS 122 20.000% * 2.6347% (0.25 0.14 0.02) = 2.635% kept HD3 LYS+ 74 - HN HIS 122 20.000% * 1.4605% (0.23 0.08 0.43) = 1.461% kept Peak 607 (0.86, 7.24, 114.00 ppm): 6 chemical-shift based assignments, quality = 0.214, support = 3.35, residual support = 24.2: QD1 LEU 123 - HN HIS 122 16.667% * 83.8240% (0.21 3.94 28.82) = 83.824% kept QG1 VAL 70 - HN HIS 122 16.667% * 7.1136% (0.29 0.25 0.02) = 7.114% kept QD1 LEU 71 - HN HIS 122 16.667% * 5.0663% (0.21 0.24 0.52) = 5.066% kept HB3 LEU 104 - HN HIS 122 16.667% * 3.1928% (0.07 0.46 0.91) = 3.193% kept QG1 VAL 18 - HN HIS 122 16.667% * 0.5833% (0.29 0.02 0.02) = 0.583% HB3 LEU 63 - HN HIS 122 16.667% * 0.2200% (0.11 0.02 0.02) = 0.220% Peak 608 (3.70, 7.51, 116.39 ppm): 5 chemical-shift based assignments, quality = 0.362, support = 2.24, residual support = 3.24: HA ILE 119 - HN LYS+ 121 20.000% * 55.2521% (0.44 2.75 4.20) = 55.252% kept HA THR 118 - HN LYS+ 121 20.000% * 26.4758% (0.26 2.22 3.24) = 26.476% kept HB2 TRP 49 - HN LYS+ 121 20.000% * 12.6329% (0.34 0.80 0.48) = 12.633% kept HA ALA 84 - HN LYS+ 121 20.000% * 4.8442% (0.16 0.67 0.02) = 4.844% kept HA VAL 75 - HN LYS+ 121 20.000% * 0.7950% (0.19 0.09 0.02) = 0.795% Peak 609 (1.66, 7.51, 116.39 ppm): 7 chemical-shift based assignments, quality = 0.694, support = 5.85, residual support = 265.5: O HB2 LYS+ 121 - HN LYS+ 121 14.286% * 96.1337% (0.71 10.0 6.04 276.12) = 96.134% kept HB2 LEU 123 - HN LYS+ 121 14.286% * 2.1005% (0.16 1.0 1.95 1.45) = 2.101% kept QD LYS+ 65 - HN LYS+ 121 14.286% * 1.4735% (0.74 1.0 0.29 0.02) = 1.474% kept QD LYS+ 38 - HN LYS+ 121 14.286% * 0.1068% (0.79 1.0 0.02 0.02) = 0.107% HB VAL 83 - HN LYS+ 121 14.286% * 0.1068% (0.79 1.0 0.02 0.02) = 0.107% QD LYS+ 102 - HN LYS+ 121 14.286% * 0.0530% (0.39 1.0 0.02 0.02) = 0.053% HG3 PRO 93 - HN LYS+ 121 14.286% * 0.0257% (0.19 1.0 0.02 0.02) = 0.026% Peak 610 (1.50, 7.51, 116.39 ppm): 6 chemical-shift based assignments, quality = 0.48, support = 5.43, residual support = 264.9: HD2 LYS+ 121 - HN LYS+ 121 16.667% * 95.9544% (0.49 5.66 276.12) = 95.954% kept QG2 THR 26 - HN LYS+ 121 16.667% * 1.7842% (0.67 0.08 0.02) = 1.784% kept QD LYS+ 66 - HN LYS+ 121 16.667% * 1.1877% (0.11 0.31 0.02) = 1.188% kept HB2 LYS+ 74 - HN LYS+ 121 16.667% * 0.5567% (0.80 0.02 0.02) = 0.557% HG2 LYS+ 65 - HN LYS+ 121 16.667% * 0.4063% (0.58 0.02 0.02) = 0.406% HB3 LEU 40 - HN LYS+ 121 16.667% * 0.1107% (0.16 0.02 0.02) = 0.111% Peak 611 (1.15, 7.51, 116.39 ppm): 4 chemical-shift based assignments, quality = 0.73, support = 5.61, residual support = 272.6: HG2 LYS+ 121 - HN LYS+ 121 25.000% * 98.7136% (0.74 5.68 276.12) = 98.714% kept HG13 ILE 103 - HN LYS+ 121 25.000% * 0.7760% (0.30 0.11 0.02) = 0.776% QG2 VAL 107 - HN LYS+ 121 25.000% * 0.3691% (0.79 0.02 0.02) = 0.369% QB ALA 20 - HN LYS+ 121 25.000% * 0.1413% (0.30 0.02 0.02) = 0.141% Peak 612 (0.85, 7.51, 116.39 ppm): 5 chemical-shift based assignments, quality = 0.625, support = 0.686, residual support = 1.05: QD1 LEU 123 - HN LYS+ 121 20.000% * 71.8696% (0.63 0.91 1.45) = 71.870% kept HB3 LEU 104 - HN LYS+ 121 20.000% * 14.1842% (0.79 0.14 0.02) = 14.184% kept QD1 LEU 71 - HN LYS+ 121 20.000% * 6.7490% (0.63 0.09 0.02) = 6.749% kept QG1 VAL 18 - HN LYS+ 121 20.000% * 3.6365% (0.22 0.13 0.02) = 3.636% kept QG1 VAL 70 - HN LYS+ 121 20.000% * 3.5608% (0.34 0.08 0.02) = 3.561% kept Peak 613 (2.04, 7.43, 118.69 ppm): 8 chemical-shift based assignments, quality = 0.788, support = 4.55, residual support = 28.2: HB ILE 119 - HN ALA 120 12.500% * 92.0923% (0.80 4.93 30.57) = 92.092% kept HG3 GLN 30 - HN ALA 120 12.500% * 4.1568% (0.74 0.24 0.02) = 4.157% kept HB2 GLN 30 - HN ALA 120 12.500% * 2.6963% (0.80 0.14 0.02) = 2.696% kept HB3 GLU- 100 - HN ALA 120 12.500% * 0.3890% (0.83 0.02 0.02) = 0.389% HB VAL 108 - HN ALA 120 12.500% * 0.2608% (0.56 0.02 0.02) = 0.261% HB2 ARG+ 54 - HN ALA 120 12.500% * 0.2135% (0.46 0.02 0.02) = 0.214% HB3 PRO 68 - HN ALA 120 12.500% * 0.1269% (0.27 0.02 0.02) = 0.127% HB2 PRO 93 - HN ALA 120 12.500% * 0.0643% (0.14 0.02 0.02) = 0.064% Peak 614 (1.49, 7.43, 118.69 ppm): 7 chemical-shift based assignments, quality = 0.199, support = 3.15, residual support = 7.65: O QB ALA 120 - HN ALA 120 14.286% * 81.1880% (0.20 10.0 3.11 8.53) = 81.188% kept HD2 LYS+ 121 - HN ALA 120 14.286% * 15.7787% (0.20 1.0 3.89 4.59) = 15.779% kept QG2 THR 26 - HN ALA 120 14.286% * 2.3647% (0.36 1.0 0.32 0.02) = 2.365% kept HB2 LYS+ 74 - HN ALA 120 14.286% * 0.2877% (0.70 1.0 0.02 0.02) = 0.288% HB3 LEU 40 - HN ALA 120 14.286% * 0.1881% (0.46 1.0 0.02 0.02) = 0.188% HG2 LYS+ 65 - HN ALA 120 14.286% * 0.1118% (0.27 1.0 0.02 0.02) = 0.112% HG LEU 115 - HN ALA 120 14.286% * 0.0812% (0.20 1.0 0.02 0.02) = 0.081% Peak 615 (0.97, 7.43, 118.69 ppm): 7 chemical-shift based assignments, quality = 0.395, support = 2.79, residual support = 14.5: QG2 ILE 119 - HN ALA 120 14.286% * 47.4643% (0.20 5.41 30.57) = 47.464% kept HG3 LYS+ 74 - HN ALA 120 14.286% * 13.7103% (0.77 0.40 0.02) = 13.710% kept QD1 LEU 67 - HN ALA 120 14.286% * 11.8062% (0.51 0.52 0.02) = 11.806% kept QD2 LEU 40 - HN ALA 120 14.286% * 11.3844% (0.46 0.56 0.02) = 11.384% kept QG2 ILE 103 - HN ALA 120 14.286% * 7.0216% (0.65 0.24 0.02) = 7.022% kept QD1 ILE 103 - HN ALA 120 14.286% * 6.2633% (0.41 0.35 0.02) = 6.263% kept QD2 LEU 71 - HN ALA 120 14.286% * 2.3500% (0.56 0.09 0.02) = 2.350% kept Peak 616 (3.96, 8.66, 115.11 ppm): 8 chemical-shift based assignments, quality = 0.85, support = 0.481, residual support = 1.46: HA ALA 120 - HN SER 117 12.500% * 46.0048% (0.88 0.56 2.90) = 46.005% kept HA2 GLY 16 - HN SER 117 12.500% * 42.4593% (0.92 0.49 0.29) = 42.459% kept HA LYS+ 121 - HN SER 117 12.500% * 6.1549% (0.28 0.24 0.02) = 6.155% kept QB SER 85 - HN SER 117 12.500% * 1.7262% (0.92 0.02 0.02) = 1.726% kept HA LYS+ 65 - HN SER 117 12.500% * 1.5619% (0.84 0.02 0.02) = 1.562% kept QB SER 48 - HN SER 117 12.500% * 1.0211% (0.55 0.02 0.02) = 1.021% kept HB THR 94 - HN SER 117 12.500% * 0.7018% (0.38 0.02 0.02) = 0.702% HA2 GLY 51 - HN SER 117 12.500% * 0.3701% (0.20 0.02 0.02) = 0.370% Peak 617 (2.52, 8.66, 115.11 ppm): 3 chemical-shift based assignments, quality = 0.656, support = 2.7, residual support = 8.32: HG2 GLU- 25 - HN SER 117 33.333% * 60.4593% (0.96 1.47 1.22) = 60.459% kept HG3 GLN 116 - HN SER 117 33.333% * 39.3013% (0.20 4.61 19.28) = 39.301% kept HB3 TRP 87 - HN SER 117 33.333% * 0.2394% (0.28 0.02 0.02) = 0.239% Peak 618 (2.36, 8.66, 115.11 ppm): 4 chemical-shift based assignments, quality = 0.9, support = 3.34, residual support = 16.9: HB2 GLN 116 - HN SER 117 25.000% * 87.6397% (0.92 3.73 19.28) = 87.640% kept HB2 GLU- 100 - HN SER 117 25.000% * 11.6045% (0.78 0.58 0.02) = 11.604% kept HB3 PHE 97 - HN SER 117 25.000% * 0.5084% (1.00 0.02 0.02) = 0.508% HB2 PRO 58 - HN SER 117 25.000% * 0.2475% (0.49 0.02 0.02) = 0.247% Peak 620 (2.53, 8.17, 116.99 ppm): 3 chemical-shift based assignments, quality = 0.493, support = 4.64, residual support = 74.3: HG2 GLN 116 - HN GLN 116 33.333% * 85.2102% (0.49 5.37 87.15) = 85.210% kept HG2 GLU- 25 - HN GLN 116 33.333% * 9.5655% (0.49 0.60 0.02) = 9.565% kept HB3 PHE 95 - HN GLN 116 33.333% * 5.2244% (0.61 0.26 0.02) = 5.224% kept Peak 621 (2.37, 8.17, 116.99 ppm): 5 chemical-shift based assignments, quality = 0.951, support = 5.29, residual support = 82.2: O HB2 GLN 116 - HN GLN 116 20.000% * 94.2654% (0.96 10.0 5.56 87.15) = 94.265% kept HB2 GLU- 100 - HN GLN 116 20.000% * 5.0219% (1.00 1.0 1.02 0.02) = 5.022% kept HB2 PRO 58 - HN GLN 116 20.000% * 0.6082% (0.16 1.0 0.75 0.02) = 0.608% HB3 PHE 97 - HN GLN 116 20.000% * 0.0772% (0.78 1.0 0.02 0.02) = 0.077% QG GLU- 79 - HN GLN 116 20.000% * 0.0274% (0.28 1.0 0.02 0.02) = 0.027% Peak 622 (1.99, 8.17, 116.99 ppm): 5 chemical-shift based assignments, quality = 0.551, support = 5.75, residual support = 41.2: HB2 LEU 115 - HN GLN 116 20.000% * 70.2038% (0.61 6.59 57.37) = 70.204% kept QB GLU- 114 - HN GLN 116 20.000% * 29.1356% (0.43 3.86 3.09) = 29.136% kept HG2 PRO 68 - HN GLN 116 20.000% * 0.2344% (0.67 0.02 0.02) = 0.234% HG3 PRO 58 - HN GLN 116 20.000% * 0.2344% (0.67 0.02 0.02) = 0.234% HB ILE 19 - HN GLN 116 20.000% * 0.1919% (0.55 0.02 0.02) = 0.192% Peak 623 (1.46, 8.17, 116.99 ppm): 8 chemical-shift based assignments, quality = 0.764, support = 6.34, residual support = 51.4: HB3 LEU 115 - HN GLN 116 12.500% * 56.3381% (0.96 6.60 57.37) = 56.338% kept HG LEU 115 - HN GLN 116 12.500% * 33.2793% (0.49 7.65 57.37) = 33.279% kept QB ALA 120 - HN GLN 116 12.500% * 5.6129% (0.49 1.29 0.02) = 5.613% kept HG LEU 67 - HN GLN 116 12.500% * 2.3170% (1.00 0.26 0.02) = 2.317% kept HG LEU 40 - HN GLN 116 12.500% * 1.3130% (0.96 0.15 0.02) = 1.313% kept HG LEU 73 - HN GLN 116 12.500% * 0.7912% (0.28 0.32 1.53) = 0.791% HB3 LEU 40 - HN GLN 116 12.500% * 0.2718% (0.20 0.15 0.02) = 0.272% HG2 LYS+ 102 - HN GLN 116 12.500% * 0.0767% (0.43 0.02 0.02) = 0.077% Peak 624 (0.45, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.222, support = 6.56, residual support = 51.3: QD1 LEU 115 - HN GLN 116 50.000% * 89.4803% (0.20 7.28 57.37) = 89.480% kept QG1 VAL 75 - HN GLN 116 50.000% * 10.5197% (0.43 0.39 0.02) = 10.520% kept Peak 625 (0.58, 8.17, 116.99 ppm): 5 chemical-shift based assignments, quality = 0.532, support = 4.32, residual support = 25.3: QD2 LEU 115 - HN GLN 116 20.000% * 42.3499% (0.28 8.39 57.37) = 42.350% kept QD1 LEU 63 - HN GLN 116 20.000% * 21.6968% (0.78 1.53 2.06) = 21.697% kept QD1 LEU 73 - HN GLN 116 20.000% * 19.8015% (0.78 1.39 1.53) = 19.802% kept QD2 LEU 63 - HN GLN 116 20.000% * 11.9774% (0.67 0.99 2.06) = 11.977% kept QD2 LEU 80 - HN GLN 116 20.000% * 4.1744% (0.24 0.98 0.02) = 4.174% kept Peak 626 (1.03, 8.17, 116.99 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 1.01, residual support = 4.45: QD1 ILE 119 - HN GLN 116 33.333% * 53.2069% (0.49 1.40 8.14) = 53.207% kept QG2 VAL 108 - HN GLN 116 33.333% * 45.3552% (1.00 0.58 0.27) = 45.355% kept HB2 LEU 104 - HN GLN 116 33.333% * 1.4380% (0.92 0.02 0.02) = 1.438% kept Peak 627 (3.45, 8.40, 122.87 ppm): 3 chemical-shift based assignments, quality = 0.812, support = 0.863, residual support = 1.89: HA LYS+ 112 - HN LEU 115 33.333% * 84.7788% (0.78 1.00 2.23) = 84.779% kept HB2 HIS 122 - HN LEU 115 33.333% * 13.5216% (1.00 0.12 0.02) = 13.522% kept HB THR 46 - HN LEU 115 33.333% * 1.6996% (0.78 0.02 0.15) = 1.700% kept Peak 628 (2.34, 8.40, 122.87 ppm): 3 chemical-shift based assignments, quality = 0.561, support = 0.428, residual support = 0.331: HB2 PRO 58 - HN LEU 115 33.333% * 84.5077% (0.61 0.49 0.39) = 84.508% kept HG3 GLU- 25 - HN LEU 115 33.333% * 10.7157% (0.38 0.10 0.02) = 10.716% kept HG2 PRO 52 - HN LEU 115 33.333% * 4.7766% (0.16 0.10 0.02) = 4.777% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 629 (1.99, 8.40, 122.87 ppm): 5 chemical-shift based assignments, quality = 0.581, support = 6.08, residual support = 142.3: O HB2 LEU 115 - HN LEU 115 20.000% * 82.0581% (0.61 10.0 6.61 170.66) = 82.058% kept QB GLU- 114 - HN LEU 115 20.000% * 13.4806% (0.43 1.0 4.64 16.54) = 13.481% kept HG3 PRO 58 - HN LEU 115 20.000% * 3.8547% (0.67 1.0 0.85 0.39) = 3.855% kept HB ILE 19 - HN LEU 115 20.000% * 0.5163% (0.55 1.0 0.14 0.02) = 0.516% HG2 PRO 68 - HN LEU 115 20.000% * 0.0902% (0.67 1.0 0.02 0.02) = 0.090% Peak 630 (1.46, 8.40, 122.87 ppm): 8 chemical-shift based assignments, quality = 0.885, support = 6.68, residual support = 169.4: O HB3 LEU 115 - HN LEU 115 12.500% * 85.5681% (0.96 10.0 6.80 170.66) = 85.568% kept HG LEU 115 - HN LEU 115 12.500% * 13.6991% (0.49 1.0 6.29 170.66) = 13.699% kept QB ALA 120 - HN LEU 115 12.500% * 0.4767% (0.49 1.0 0.22 0.02) = 0.477% HG LEU 67 - HN LEU 115 12.500% * 0.0895% (1.00 1.0 0.02 0.02) = 0.090% HG LEU 40 - HN LEU 115 12.500% * 0.0856% (0.96 1.0 0.02 0.02) = 0.086% HG2 LYS+ 102 - HN LEU 115 12.500% * 0.0384% (0.43 1.0 0.02 0.02) = 0.038% HG LEU 73 - HN LEU 115 12.500% * 0.0249% (0.28 1.0 0.02 0.02) = 0.025% HB3 LEU 40 - HN LEU 115 12.500% * 0.0177% (0.20 1.0 0.02 0.02) = 0.018% Peak 631 (1.14, 8.40, 122.87 ppm): 5 chemical-shift based assignments, quality = 0.662, support = 0.694, residual support = 0.505: QB ALA 20 - HN LEU 115 20.000% * 38.7343% (1.00 0.61 0.21) = 38.734% kept HG2 LYS+ 121 - HN LEU 115 20.000% * 24.2807% (0.55 0.70 0.19) = 24.281% kept HG13 ILE 119 - HN LEU 115 20.000% * 23.2986% (0.49 0.75 0.70) = 23.299% kept QG2 VAL 107 - HN LEU 115 20.000% * 13.1372% (0.24 0.87 1.62) = 13.137% kept HB3 LEU 31 - HN LEU 115 20.000% * 0.5492% (0.43 0.02 0.31) = 0.549% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 632 (0.61, 8.40, 122.87 ppm): 4 chemical-shift based assignments, quality = 0.397, support = 6.54, residual support = 156.0: QD2 LEU 115 - HN LEU 115 25.000% * 91.4217% (0.38 7.14 170.66) = 91.422% kept QD1 LEU 104 - HN LEU 115 25.000% * 5.5709% (0.78 0.21 0.02) = 5.571% kept QD2 LEU 80 - HN LEU 115 25.000% * 2.4050% (0.43 0.16 0.11) = 2.405% kept QG1 VAL 83 - HN LEU 115 25.000% * 0.6024% (0.88 0.02 0.02) = 0.602% Peak 633 (0.45, 8.40, 122.87 ppm): 2 chemical-shift based assignments, quality = 0.604, support = 5.99, residual support = 169.8: QD1 LEU 115 - HN LEU 115 50.000% * 99.5186% (0.61 6.02 170.66) = 99.519% kept QG1 VAL 75 - HN LEU 115 50.000% * 0.4814% (0.88 0.02 0.02) = 0.481% Peak 634 (1.84, 8.62, 122.05 ppm): 9 chemical-shift based assignments, quality = 0.406, support = 6.28, residual support = 122.4: O HB ILE 103 - HN ILE 103 11.111% * 52.9720% (0.24 10.0 5.91 123.24) = 52.972% kept HG12 ILE 103 - HN ILE 103 11.111% * 46.3332% (0.61 1.0 6.80 123.24) = 46.333% kept HG LEU 123 - HN ILE 103 11.111% * 0.2148% (0.96 1.0 0.02 0.02) = 0.215% HB3 PRO 52 - HN ILE 103 11.111% * 0.2148% (0.96 1.0 0.02 0.02) = 0.215% HB VAL 41 - HN ILE 103 11.111% * 0.0843% (0.38 1.0 0.02 0.02) = 0.084% HG3 PRO 68 - HN ILE 103 11.111% * 0.0625% (0.28 1.0 0.02 0.02) = 0.062% HG2 ARG+ 54 - HN ILE 103 11.111% * 0.0445% (0.20 1.0 0.02 0.02) = 0.044% HB3 ASP- 105 - HN ILE 103 11.111% * 0.0370% (0.16 1.0 0.02 0.37) = 0.037% QB LYS+ 66 - HN ILE 103 11.111% * 0.0370% (0.16 1.0 0.02 0.02) = 0.037% Peak 635 (1.15, 8.62, 122.05 ppm): 4 chemical-shift based assignments, quality = 0.457, support = 4.93, residual support = 101.0: HG13 ILE 103 - HN ILE 103 25.000% * 81.9773% (0.38 5.96 123.24) = 81.977% kept HG2 LYS+ 121 - HN ILE 103 25.000% * 11.1236% (0.92 0.33 0.02) = 11.124% kept QB ALA 20 - HN ILE 103 25.000% * 3.4666% (0.38 0.25 0.24) = 3.467% kept QG2 VAL 107 - HN ILE 103 25.000% * 3.4325% (0.98 0.10 0.02) = 3.432% kept Peak 636 (0.98, 8.62, 122.05 ppm): 7 chemical-shift based assignments, quality = 0.872, support = 6.07, residual support = 111.3: QG2 ILE 103 - HN ILE 103 14.286% * 78.6910% (1.00 6.76 123.24) = 78.691% kept QD1 ILE 103 - HN ILE 103 14.286% * 11.6566% (0.16 6.09 123.24) = 11.657% kept HG3 LYS+ 74 - HN ILE 103 14.286% * 3.1300% (0.96 0.28 0.02) = 3.130% kept QD2 LEU 40 - HN ILE 103 14.286% * 3.0817% (0.92 0.29 0.02) = 3.082% kept QD2 LEU 71 - HN ILE 103 14.286% * 2.1089% (0.28 0.65 0.02) = 2.109% kept HB VAL 75 - HN ILE 103 14.286% * 1.1092% (0.14 0.70 0.02) = 1.109% kept QD1 LEU 67 - HN ILE 103 14.286% * 0.2225% (0.96 0.02 0.02) = 0.223% Peak 637 (1.55, 9.38, 128.74 ppm): 7 chemical-shift based assignments, quality = 0.429, support = 3.68, residual support = 81.7: HG LEU 104 - HN LEU 104 14.286% * 46.4352% (0.16 6.85 175.07) = 46.435% kept HG2 LYS+ 106 - HN LEU 104 14.286% * 24.8921% (0.43 1.41 1.51) = 24.892% kept HG2 LYS+ 33 - HN LEU 104 14.286% * 23.6378% (0.98 0.59 0.13) = 23.638% kept HD3 LYS+ 74 - HN LEU 104 14.286% * 4.2201% (0.32 0.32 0.02) = 4.220% kept QG LYS+ 81 - HN LEU 104 14.286% * 0.4500% (0.55 0.02 0.02) = 0.450% HB3 LYS+ 111 - HN LEU 104 14.286% * 0.2291% (0.28 0.02 0.02) = 0.229% HB3 LYS+ 121 - HN LEU 104 14.286% * 0.1355% (0.16 0.02 0.02) = 0.136% Peak 638 (1.00, 9.38, 128.74 ppm): 4 chemical-shift based assignments, quality = 0.929, support = 0.943, residual support = 0.758: HB VAL 75 - HN LEU 104 25.000% * 93.5940% (0.98 0.99 0.70) = 93.594% kept QD1 ILE 119 - HN LEU 104 25.000% * 5.7062% (0.20 0.30 1.84) = 5.706% kept QD2 LEU 40 - HN LEU 104 25.000% * 0.3822% (0.20 0.02 0.02) = 0.382% QD1 LEU 67 - HN LEU 104 25.000% * 0.3176% (0.16 0.02 0.02) = 0.318% Peak 639 (0.72, 9.38, 128.74 ppm): 3 chemical-shift based assignments, quality = 0.554, support = 6.07, residual support = 126.5: QD2 LEU 104 - HN LEU 104 33.333% * 71.0636% (0.61 7.06 175.07) = 71.064% kept QD1 LEU 98 - HN LEU 104 33.333% * 27.3891% (0.43 3.84 7.45) = 27.389% kept QD1 ILE 19 - HN LEU 104 33.333% * 1.5473% (0.38 0.25 0.02) = 1.547% kept Peak 640 (3.00, 7.80, 116.22 ppm): 4 chemical-shift based assignments, quality = 0.499, support = 5.28, residual support = 29.4: HB2 PHE 97 - HN ASP- 105 25.000% * 63.6917% (0.43 7.40 45.70) = 63.692% kept HB3 TRP 27 - HN ASP- 105 25.000% * 19.5138% (0.49 2.00 1.17) = 19.514% kept QE LYS+ 99 - HN ASP- 105 25.000% * 16.6440% (0.78 1.06 0.23) = 16.644% kept QE LYS+ 38 - HN ASP- 105 25.000% * 0.1505% (0.38 0.02 0.02) = 0.150% Peak 641 (2.37, 7.80, 116.22 ppm): 5 chemical-shift based assignments, quality = 0.791, support = 4.32, residual support = 43.3: HB3 PHE 97 - HN ASP- 105 20.000% * 94.8300% (0.78 4.55 45.70) = 94.830% kept HB2 GLU- 100 - HN ASP- 105 20.000% * 2.9310% (1.00 0.11 0.02) = 2.931% kept HB2 GLN 116 - HN ASP- 105 20.000% * 2.0035% (0.96 0.08 0.02) = 2.004% kept QG GLU- 79 - HN ASP- 105 20.000% * 0.1480% (0.28 0.02 0.02) = 0.148% HB2 PRO 58 - HN ASP- 105 20.000% * 0.0875% (0.16 0.02 0.02) = 0.088% Peak 642 (2.24, 7.80, 116.22 ppm): 6 chemical-shift based assignments, quality = 0.597, support = 3.73, residual support = 31.5: O HB2 ASP- 105 - HN ASP- 105 16.667% * 98.4830% (0.61 10.0 3.79 31.96) = 98.483% kept HG12 ILE 119 - HN ASP- 105 16.667% * 0.5453% (0.43 1.0 0.16 0.02) = 0.545% HB3 ASP- 76 - HN ASP- 105 16.667% * 0.4771% (0.28 1.0 0.21 0.02) = 0.477% HG2 GLU- 100 - HN ASP- 105 16.667% * 0.1770% (0.20 1.0 0.11 0.02) = 0.177% HG3 MET 92 - HN ASP- 105 16.667% * 0.1624% (1.00 1.0 0.02 0.02) = 0.162% HB2 GLU- 29 - HN ASP- 105 16.667% * 0.1552% (0.96 1.0 0.02 0.02) = 0.155% Peak 643 (1.87, 7.80, 116.22 ppm): 11 chemical-shift based assignments, quality = 0.657, support = 3.59, residual support = 24.8: O HB3 ASP- 105 - HN ASP- 105 9.091% * 65.4273% (0.55 10.0 3.44 31.96) = 65.427% kept QB LYS+ 106 - HN ASP- 105 9.091% * 26.8941% (0.96 1.0 4.70 14.16) = 26.894% kept QB LYS+ 33 - HN ASP- 105 9.091% * 4.1130% (0.73 1.0 0.95 0.56) = 4.113% kept HB ILE 103 - HN ASP- 105 9.091% * 3.0781% (0.43 1.0 1.20 0.37) = 3.078% kept QB LYS+ 81 - HN ASP- 105 9.091% * 0.1106% (0.92 1.0 0.02 0.02) = 0.111% HB3 GLN 90 - HN ASP- 105 9.091% * 0.1001% (0.84 1.0 0.02 0.02) = 0.100% HB ILE 56 - HN ASP- 105 9.091% * 0.0870% (0.73 1.0 0.02 0.02) = 0.087% HB3 LYS+ 38 - HN ASP- 105 9.091% * 0.0583% (0.49 1.0 0.02 0.02) = 0.058% HG2 ARG+ 54 - HN ASP- 105 9.091% * 0.0583% (0.49 1.0 0.02 0.02) = 0.058% HG3 PRO 68 - HN ASP- 105 9.091% * 0.0450% (0.38 1.0 0.02 0.02) = 0.045% HB3 GLN 30 - HN ASP- 105 9.091% * 0.0282% (0.24 1.0 0.02 0.02) = 0.028% Peak 644 (1.55, 7.80, 116.22 ppm): 7 chemical-shift based assignments, quality = 0.533, support = 3.2, residual support = 9.09: HG2 LYS+ 106 - HN ASP- 105 14.286% * 39.3557% (0.43 4.02 14.16) = 39.356% kept HG2 LYS+ 33 - HN ASP- 105 14.286% * 29.0349% (0.98 1.30 0.56) = 29.035% kept HG LEU 104 - HN ASP- 105 14.286% * 21.0617% (0.16 5.61 15.91) = 21.062% kept HD3 LYS+ 74 - HN ASP- 105 14.286% * 5.4799% (0.32 0.74 0.02) = 5.480% kept QG LYS+ 81 - HN ASP- 105 14.286% * 4.8660% (0.55 0.39 0.02) = 4.866% kept HB3 LYS+ 111 - HN ASP- 105 14.286% * 0.1268% (0.28 0.02 0.02) = 0.127% HB3 LYS+ 121 - HN ASP- 105 14.286% * 0.0750% (0.16 0.02 0.02) = 0.075% Peak 645 (1.00, 7.80, 116.22 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 0.686, residual support = 0.513: HB VAL 75 - HN ASP- 105 25.000% * 85.7217% (0.98 0.75 0.60) = 85.722% kept QD2 LEU 40 - HN ASP- 105 25.000% * 8.2571% (0.20 0.36 0.02) = 8.257% kept QD1 ILE 119 - HN ASP- 105 25.000% * 5.6377% (0.20 0.24 0.02) = 5.638% kept QD1 LEU 67 - HN ASP- 105 25.000% * 0.3836% (0.16 0.02 0.02) = 0.384% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 646 (2.24, 8.97, 118.18 ppm): 5 chemical-shift based assignments, quality = 0.939, support = 2.95, residual support = 13.9: HB2 ASP- 105 - HN LYS+ 106 20.000% * 98.2171% (0.96 3.00 14.16) = 98.217% kept HG3 MET 92 - HN LYS+ 106 20.000% * 0.5362% (0.78 0.02 0.02) = 0.536% HB3 ASP- 76 - HN LYS+ 106 20.000% * 0.4570% (0.67 0.02 0.02) = 0.457% HB2 GLU- 29 - HN LYS+ 106 20.000% * 0.4155% (0.61 0.02 0.02) = 0.416% HG2 GLU- 100 - HN LYS+ 106 20.000% * 0.3741% (0.55 0.02 0.02) = 0.374% Peak 647 (1.87, 8.97, 118.18 ppm): 11 chemical-shift based assignments, quality = 0.914, support = 4.29, residual support = 92.6: O QB LYS+ 106 - HN LYS+ 106 9.091% * 90.3644% (0.96 10.0 4.39 101.04) = 90.364% kept HB3 ASP- 105 - HN LYS+ 106 9.091% * 9.1417% (0.55 1.0 3.54 14.16) = 9.142% kept QB LYS+ 81 - HN LYS+ 106 9.091% * 0.0873% (0.92 1.0 0.02 0.02) = 0.087% HB3 GLN 90 - HN LYS+ 106 9.091% * 0.0790% (0.84 1.0 0.02 0.02) = 0.079% HB ILE 56 - HN LYS+ 106 9.091% * 0.0686% (0.73 1.0 0.02 0.02) = 0.069% QB LYS+ 33 - HN LYS+ 106 9.091% * 0.0686% (0.73 1.0 0.02 0.34) = 0.069% HB3 LYS+ 38 - HN LYS+ 106 9.091% * 0.0460% (0.49 1.0 0.02 0.02) = 0.046% HG2 ARG+ 54 - HN LYS+ 106 9.091% * 0.0460% (0.49 1.0 0.02 0.02) = 0.046% HB ILE 103 - HN LYS+ 106 9.091% * 0.0406% (0.43 1.0 0.02 0.02) = 0.041% HG3 PRO 68 - HN LYS+ 106 9.091% * 0.0355% (0.38 1.0 0.02 0.02) = 0.035% HB3 GLN 30 - HN LYS+ 106 9.091% * 0.0223% (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 = 0.236, support = 0.549, residual support = 0.654: QG2 THR 118 - HN LYS+ 106 100.000% *100.0000% (0.24 0.55 0.65) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 651 (3.20, 9.57, 125.50 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 2.0, residual support = 24.6: HB2 PHE 95 - HN VAL 107 100.000% *100.0000% (1.00 2.00 24.55) = 100.000% kept Peak 652 (2.41, 9.57, 125.50 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 3.3, residual support = 48.1: O HB VAL 107 - HN VAL 107 25.000% * 99.8687% (0.98 10.0 3.30 48.13) = 99.869% kept QE LYS+ 112 - HN VAL 107 25.000% * 0.0438% (0.43 1.0 0.02 0.02) = 0.044% HB3 PHE 45 - HN VAL 107 25.000% * 0.0438% (0.43 1.0 0.02 0.02) = 0.044% QG GLN 32 - HN VAL 107 25.000% * 0.0438% (0.43 1.0 0.02 0.02) = 0.044% Peak 653 (1.88, 9.57, 125.50 ppm): 8 chemical-shift based assignments, quality = 0.359, support = 3.61, residual support = 17.2: QB LYS+ 106 - HN VAL 107 12.500% * 80.7728% (0.24 4.43 21.24) = 80.773% kept HB3 GLN 30 - HN VAL 107 12.500% * 13.9440% (0.96 0.19 0.02) = 13.944% kept HB3 LYS+ 38 - HN VAL 107 12.500% * 1.5150% (0.98 0.02 0.02) = 1.515% kept HB ILE 56 - HN VAL 107 12.500% * 1.2910% (0.84 0.02 0.02) = 1.291% kept HB2 MET 92 - HN VAL 107 12.500% * 1.2098% (0.78 0.02 0.02) = 1.210% kept HB3 PRO 58 - HN VAL 107 12.500% * 0.7523% (0.49 0.02 0.02) = 0.752% QB LYS+ 81 - HN VAL 107 12.500% * 0.3059% (0.20 0.02 0.02) = 0.306% HB3 GLN 90 - HN VAL 107 12.500% * 0.2092% (0.14 0.02 0.02) = 0.209% Peak 654 (1.12, 9.57, 125.50 ppm): 5 chemical-shift based assignments, quality = 0.928, support = 0.236, residual support = 0.124: HB3 LEU 31 - HN VAL 107 20.000% * 60.8985% (1.00 0.30 0.19) = 60.899% kept HG13 ILE 119 - HN VAL 107 20.000% * 30.1146% (0.98 0.15 0.02) = 30.115% kept QB ALA 20 - HN VAL 107 20.000% * 6.8638% (0.32 0.10 0.02) = 6.864% kept HD3 LYS+ 112 - HN VAL 107 20.000% * 1.3190% (0.32 0.02 0.02) = 1.319% kept QG1 VAL 24 - HN VAL 107 20.000% * 0.8040% (0.20 0.02 0.02) = 0.804% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 655 (2.05, 9.14, 128.89 ppm): 7 chemical-shift based assignments, quality = 0.873, support = 3.47, residual support = 53.1: O HB VAL 108 - HN VAL 108 14.286% * 97.7015% (0.88 10.0 3.54 54.36) = 97.702% kept HB ILE 119 - HN VAL 108 14.286% * 1.9687% (0.55 1.0 0.65 0.02) = 1.969% kept HB2 ARG+ 54 - HN VAL 108 14.286% * 0.1058% (0.96 1.0 0.02 0.02) = 0.106% HB2 PRO 93 - HN VAL 108 14.286% * 0.0977% (0.88 1.0 0.02 0.02) = 0.098% HB2 GLN 30 - HN VAL 108 14.286% * 0.0605% (0.55 1.0 0.02 0.02) = 0.060% HB3 GLU- 100 - HN VAL 108 14.286% * 0.0476% (0.43 1.0 0.02 0.02) = 0.048% HG3 GLN 30 - HN VAL 108 14.286% * 0.0182% (0.16 1.0 0.02 0.02) = 0.018% Peak 656 (1.13, 9.14, 128.89 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 0.153, residual support = 0.02: HB3 LEU 31 - HN VAL 108 25.000% * 55.4908% (0.84 0.19 0.02) = 55.491% kept HG13 ILE 119 - HN VAL 108 25.000% * 38.0039% (0.88 0.12 0.02) = 38.004% kept QB ALA 20 - HN VAL 108 25.000% * 5.1120% (0.73 0.02 0.02) = 5.112% kept HG2 LYS+ 121 - HN VAL 108 25.000% * 1.3932% (0.20 0.02 0.02) = 1.393% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 658 (1.07, 9.14, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.871, support = 0.02, residual support = 0.02: QG2 VAL 24 - HN VAL 108 33.333% * 44.4886% (1.00 0.02 0.02) = 44.489% kept HG LEU 63 - HN VAL 108 33.333% * 41.0681% (0.92 0.02 0.02) = 41.068% kept HG3 LYS+ 112 - HN VAL 108 33.333% * 14.4433% (0.32 0.02 0.02) = 14.443% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 659 (3.73, 9.10, 128.88 ppm): 4 chemical-shift based assignments, quality = 0.424, support = 3.13, residual support = 12.3: O HA VAL 75 - HN ASP- 76 25.000% * 98.0180% (0.43 10.0 3.18 12.56) = 98.018% kept HD2 PRO 68 - HN ASP- 76 25.000% * 1.6934% (0.20 1.0 0.75 0.02) = 1.693% kept HD3 PRO 58 - HN ASP- 76 25.000% * 0.1906% (0.84 1.0 0.02 0.02) = 0.191% HA ALA 61 - HN ASP- 76 25.000% * 0.0980% (0.43 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 = 3.21, residual support = 16.6: O HB2 ASP- 76 - HN ASP- 76 33.333% * 97.2756% (1.00 10.0 3.27 16.93) = 97.276% kept HB2 ASP- 78 - HN ASP- 76 33.333% * 2.6315% (0.49 1.0 1.11 5.91) = 2.631% kept HB2 ASN 69 - HN ASP- 76 33.333% * 0.0930% (0.96 1.0 0.02 0.02) = 0.093% Peak 661 (2.25, 9.10, 128.88 ppm): 8 chemical-shift based assignments, quality = 0.441, support = 0.217, residual support = 0.02: QG GLN 90 - HN ASP- 76 12.500% * 56.0202% (0.38 0.32 0.02) = 56.020% kept HB2 ASP- 44 - HN ASP- 76 12.500% * 14.9002% (0.16 0.20 0.02) = 14.900% kept HB2 GLU- 29 - HN ASP- 76 12.500% * 8.1083% (0.88 0.02 0.02) = 8.108% kept HG12 ILE 119 - HN ASP- 76 12.500% * 8.1083% (0.88 0.02 0.02) = 8.108% kept HG3 MET 92 - HN ASP- 76 12.500% * 6.6718% (0.73 0.02 0.02) = 6.672% kept HB3 PHE 72 - HN ASP- 76 12.500% * 2.5546% (0.28 0.02 0.02) = 2.555% kept HB2 ASP- 105 - HN ASP- 76 12.500% * 1.8183% (0.20 0.02 0.02) = 1.818% kept QG GLU- 14 - HN ASP- 76 12.500% * 1.8183% (0.20 0.02 0.02) = 1.818% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 662 (0.45, 9.10, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.428, support = 3.41, residual support = 12.5: QG1 VAL 75 - HN ASP- 76 50.000% * 99.7314% (0.43 3.42 12.56) = 99.731% kept QD1 LEU 115 - HN ASP- 76 50.000% * 0.2686% (0.20 0.02 0.02) = 0.269% Peak 663 (0.13, 9.10, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.951, support = 2.97, residual support = 12.5: QG2 VAL 75 - HN ASP- 76 50.000% * 99.4551% (0.96 2.99 12.56) = 99.455% kept QG2 VAL 42 - HN ASP- 76 50.000% * 0.5449% (0.78 0.02 0.02) = 0.545% Peak 664 (3.69, 8.60, 114.88 ppm): 5 chemical-shift based assignments, quality = 0.208, support = 2.05, residual support = 9.12: O HA2 GLY 109 - HN GLY 109 20.000% * 98.9218% (0.21 10.0 2.07 9.21) = 98.922% kept HA ILE 119 - HN GLY 109 20.000% * 0.3284% (0.70 1.0 0.02 0.02) = 0.328% HB2 TRP 49 - HN GLY 109 20.000% * 0.2972% (0.63 1.0 0.02 0.02) = 0.297% HA THR 118 - HN GLY 109 20.000% * 0.2584% (0.55 1.0 0.02 0.02) = 0.258% HA ALA 84 - HN GLY 109 20.000% * 0.1943% (0.41 1.0 0.02 0.02) = 0.194% Peak 666 (1.22, 8.60, 114.88 ppm): 5 chemical-shift based assignments, quality = 0.296, support = 0.629, residual support = 0.997: HG2 LYS+ 74 - HN GLY 109 20.000% * 83.4656% (0.25 0.75 1.19) = 83.466% kept HG12 ILE 89 - HN GLY 109 20.000% * 6.3287% (0.70 0.02 0.02) = 6.329% kept HG3 LYS+ 111 - HN GLY 109 20.000% * 5.7264% (0.63 0.02 0.02) = 5.726% kept HG LEU 71 - HN GLY 109 20.000% * 2.5731% (0.28 0.02 0.02) = 2.573% kept HG3 LYS+ 99 - HN GLY 109 20.000% * 1.9062% (0.21 0.02 0.02) = 1.906% kept Peak 667 (0.90, 8.60, 114.88 ppm): 2 chemical-shift based assignments, quality = 0.546, support = 2.89, residual support = 3.3: QG1 VAL 108 - HN GLY 109 50.000% * 99.5937% (0.55 2.90 3.31) = 99.594% kept QD1 LEU 40 - HN GLY 109 50.000% * 0.4063% (0.32 0.02 0.02) = 0.406% Peak 668 (3.69, 8.75, 122.21 ppm): 5 chemical-shift based assignments, quality = 0.275, support = 1.73, residual support = 5.02: O HA2 GLY 109 - HN ALA 110 20.000% * 98.7741% (0.28 10.0 1.76 5.08) = 98.774% kept HA ILE 119 - HN ALA 110 20.000% * 0.3734% (0.92 1.0 0.02 0.02) = 0.373% HB2 TRP 49 - HN ALA 110 20.000% * 0.3379% (0.84 1.0 0.02 0.02) = 0.338% HA THR 118 - HN ALA 110 20.000% * 0.2937% (0.73 1.0 0.02 0.02) = 0.294% HA ALA 84 - HN ALA 110 20.000% * 0.2209% (0.55 1.0 0.02 0.02) = 0.221% Peak 669 (1.84, 8.75, 122.21 ppm): 9 chemical-shift based assignments, quality = 0.614, support = 0.381, residual support = 0.106: HG12 ILE 103 - HN ALA 110 11.111% * 80.9641% (0.61 0.47 0.12) = 80.964% kept HG LEU 123 - HN ALA 110 11.111% * 5.4683% (0.96 0.02 0.02) = 5.468% kept HB3 PRO 52 - HN ALA 110 11.111% * 5.4683% (0.96 0.02 0.02) = 5.468% kept HB VAL 41 - HN ALA 110 11.111% * 2.1468% (0.38 0.02 0.02) = 2.147% kept HG3 PRO 68 - HN ALA 110 11.111% * 1.5904% (0.28 0.02 0.02) = 1.590% kept HB ILE 103 - HN ALA 110 11.111% * 1.3485% (0.24 0.02 0.12) = 1.348% kept HG2 ARG+ 54 - HN ALA 110 11.111% * 1.1320% (0.20 0.02 0.02) = 1.132% kept HB3 ASP- 105 - HN ALA 110 11.111% * 0.9408% (0.16 0.02 0.02) = 0.941% QB LYS+ 66 - HN ALA 110 11.111% * 0.9408% (0.16 0.02 0.02) = 0.941% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 670 (1.44, 8.75, 122.21 ppm): 8 chemical-shift based assignments, quality = 0.433, support = 2.11, residual support = 6.5: O QB ALA 110 - HN ALA 110 12.500% * 96.8802% (0.43 10.0 2.18 6.71) = 96.880% kept HG LEU 73 - HN ALA 110 12.500% * 2.1868% (0.78 1.0 0.25 0.02) = 2.187% kept QG LYS+ 66 - HN ALA 110 12.500% * 0.2211% (0.98 1.0 0.02 0.02) = 0.221% HB3 LEU 67 - HN ALA 110 12.500% * 0.2156% (0.96 1.0 0.02 0.02) = 0.216% QB ALA 61 - HN ALA 110 12.500% * 0.1765% (0.78 1.0 0.02 0.02) = 0.177% HG2 LYS+ 102 - HN ALA 110 12.500% * 0.1368% (0.61 1.0 0.02 0.02) = 0.137% HG LEU 80 - HN ALA 110 12.500% * 0.1098% (0.49 1.0 0.02 0.02) = 0.110% HG12 ILE 19 - HN ALA 110 12.500% * 0.0732% (0.32 1.0 0.02 0.02) = 0.073% Peak 671 (2.02, 7.58, 125.75 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 6.32, residual support = 282.1: O HB2 LYS+ 111 - HN LYS+ 111 12.500% * 99.5939% (1.00 10.0 6.35 283.24) = 99.594% kept HB2 GLN 17 - HN LYS+ 111 12.500% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% QB GLU- 15 - HN LYS+ 111 12.500% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HB3 PRO 68 - HN LYS+ 111 12.500% * 0.0783% (0.78 1.0 0.02 0.02) = 0.078% HB3 GLU- 25 - HN LYS+ 111 12.500% * 0.0727% (0.73 1.0 0.02 0.02) = 0.073% QB GLU- 114 - HN LYS+ 111 12.500% * 0.0236% (0.24 1.0 0.02 0.02) = 0.024% HG3 GLN 30 - HN LYS+ 111 12.500% * 0.0236% (0.24 1.0 0.02 0.02) = 0.024% HB ILE 19 - HN LYS+ 111 12.500% * 0.0165% (0.16 1.0 0.02 0.02) = 0.016% Peak 672 (1.52, 7.58, 125.75 ppm): 5 chemical-shift based assignments, quality = 0.834, support = 4.34, residual support = 274.7: O HB3 LYS+ 111 - HN LYS+ 111 20.000% * 96.9817% (0.84 10.0 4.47 283.24) = 96.982% kept HB3 LYS+ 121 - HN LYS+ 111 20.000% * 2.4686% (0.96 1.0 0.44 0.32) = 2.469% kept HD3 LYS+ 74 - HN LYS+ 111 20.000% * 0.3683% (0.78 1.0 0.08 0.02) = 0.368% HG LEU 104 - HN LYS+ 111 20.000% * 0.1110% (0.96 1.0 0.02 0.02) = 0.111% QD LYS+ 66 - HN LYS+ 111 20.000% * 0.0704% (0.61 1.0 0.02 0.02) = 0.070% Peak 673 (1.22, 7.58, 125.75 ppm): 5 chemical-shift based assignments, quality = 0.829, support = 5.85, residual support = 281.1: HG3 LYS+ 111 - HN LYS+ 111 20.000% * 99.2335% (0.84 5.89 283.24) = 99.234% kept HG12 ILE 89 - HN LYS+ 111 20.000% * 0.3722% (0.92 0.02 0.52) = 0.372% HG LEU 71 - HN LYS+ 111 20.000% * 0.1513% (0.38 0.02 0.02) = 0.151% HG2 LYS+ 74 - HN LYS+ 111 20.000% * 0.1309% (0.32 0.02 0.02) = 0.131% HG3 LYS+ 99 - HN LYS+ 111 20.000% * 0.1121% (0.28 0.02 0.02) = 0.112% Peak 674 (0.80, 7.58, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.677, support = 1.21, residual support = 0.53: QD1 ILE 56 - HN LYS+ 111 33.333% * 45.6056% (0.55 1.57 0.83) = 45.606% kept HG3 LYS+ 121 - HN LYS+ 111 33.333% * 44.1626% (0.92 0.90 0.32) = 44.163% kept QD2 LEU 73 - HN LYS+ 111 33.333% * 10.2318% (0.20 0.97 0.11) = 10.232% kept Peak 675 (3.46, 8.49, 124.18 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 5.27, residual support = 188.0: O HA LYS+ 112 - HN LYS+ 112 50.000% * 99.9553% (0.73 10.0 5.27 188.03) = 99.955% kept HB2 HIS 122 - HN LYS+ 112 50.000% * 0.0447% (0.32 1.0 0.02 0.15) = 0.045% Peak 676 (2.02, 8.49, 124.18 ppm): 9 chemical-shift based assignments, quality = 0.711, support = 6.38, residual support = 19.6: HB2 LYS+ 111 - HN LYS+ 112 11.111% * 97.9083% (0.73 6.52 19.99) = 97.908% kept HB3 GLU- 25 - HN LYS+ 112 11.111% * 0.6461% (0.32 0.10 0.02) = 0.646% HB3 PRO 68 - HN LYS+ 112 11.111% * 0.4138% (1.00 0.02 0.02) = 0.414% HG3 GLN 30 - HN LYS+ 112 11.111% * 0.2510% (0.61 0.02 0.02) = 0.251% HB2 GLN 17 - HN LYS+ 112 11.111% * 0.2510% (0.61 0.02 0.02) = 0.251% QB GLU- 15 - HN LYS+ 112 11.111% * 0.2510% (0.61 0.02 0.02) = 0.251% HB3 GLU- 100 - HN LYS+ 112 11.111% * 0.1151% (0.28 0.02 0.02) = 0.115% HB ILE 119 - HN LYS+ 112 11.111% * 0.0819% (0.20 0.02 0.02) = 0.082% HB2 GLN 30 - HN LYS+ 112 11.111% * 0.0819% (0.20 0.02 0.02) = 0.082% Peak 677 (1.39, 8.49, 124.18 ppm): 9 chemical-shift based assignments, quality = 0.548, support = 4.9, residual support = 174.1: O HB2 LYS+ 112 - HN LYS+ 112 11.111% * 92.4868% (0.55 10.0 5.24 188.03) = 92.487% kept HB3 LEU 73 - HN LYS+ 112 11.111% * 5.8679% (0.73 1.0 0.95 3.96) = 5.868% kept HG3 LYS+ 65 - HN LYS+ 112 11.111% * 0.9567% (0.84 1.0 0.14 0.02) = 0.957% HG3 LYS+ 33 - HN LYS+ 112 11.111% * 0.1563% (0.92 1.0 0.02 0.02) = 0.156% QB ALA 12 - HN LYS+ 112 11.111% * 0.1415% (0.84 1.0 0.02 0.02) = 0.141% HB VAL 42 - HN LYS+ 112 11.111% * 0.1415% (0.84 1.0 0.02 0.02) = 0.141% HG3 LYS+ 102 - HN LYS+ 112 11.111% * 0.1130% (0.67 1.0 0.02 0.02) = 0.113% QB LEU 98 - HN LYS+ 112 11.111% * 0.0728% (0.43 1.0 0.02 0.02) = 0.073% HG3 LYS+ 106 - HN LYS+ 112 11.111% * 0.0636% (0.38 1.0 0.02 0.02) = 0.064% Peak 678 (1.18, 8.49, 124.18 ppm): 4 chemical-shift based assignments, quality = 0.741, support = 5.13, residual support = 187.8: O HB3 LYS+ 112 - HN LYS+ 112 25.000% * 92.8394% (0.78 10.0 5.08 188.03) = 92.839% kept HD2 LYS+ 112 - HN LYS+ 112 25.000% * 7.0360% (0.20 1.0 5.99 188.03) = 7.036% kept QG2 THR 94 - HN LYS+ 112 25.000% * 0.0861% (0.73 1.0 0.02 0.43) = 0.086% HG13 ILE 103 - HN LYS+ 112 25.000% * 0.0385% (0.32 1.0 0.02 0.02) = 0.039% Peak 680 (0.38, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.479, support = 0.02, residual support = 0.02: QB ALA 47 - HN LYS+ 112 33.333% * 49.1521% (0.61 0.02 0.02) = 49.152% kept QG1 VAL 42 - HN LYS+ 112 33.333% * 34.8105% (0.43 0.02 0.02) = 34.811% kept QB ALA 64 - HN LYS+ 112 33.333% * 16.0373% (0.20 0.02 0.02) = 16.037% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 681 (0.80, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.656, support = 1.62, residual support = 2.57: HG3 LYS+ 121 - HN LYS+ 112 33.333% * 46.5146% (0.92 1.29 1.03) = 46.515% kept QD1 ILE 56 - HN LYS+ 112 33.333% * 34.5995% (0.55 1.62 3.89) = 34.599% kept QD2 LEU 73 - HN LYS+ 112 33.333% * 18.8860% (0.20 2.45 3.96) = 18.886% kept Peak 682 (1.06, 8.49, 124.18 ppm): 3 chemical-shift based assignments, quality = 0.731, support = 5.18, residual support = 181.3: HG3 LYS+ 112 - HN LYS+ 112 33.333% * 96.4176% (0.73 5.37 188.03) = 96.418% kept HG LEU 63 - HN LYS+ 112 33.333% * 3.1955% (0.96 0.14 0.20) = 3.196% kept QG2 VAL 24 - HN LYS+ 112 33.333% * 0.3869% (0.78 0.02 0.02) = 0.387% Peak 683 (3.46, 8.43, 117.70 ppm): 2 chemical-shift based assignments, quality = 0.619, support = 5.24, residual support = 14.6: O HA LYS+ 112 - HN ASP- 113 50.000% * 99.9553% (0.62 10.0 5.24 14.58) = 99.955% kept HB2 HIS 122 - HN ASP- 113 50.000% * 0.0447% (0.28 1.0 0.02 0.02) = 0.045% Peak 684 (2.69, 8.43, 117.70 ppm): 1 chemical-shift based assignment, quality = 0.787, support = 3.13, residual support = 13.4: O QB ASP- 113 - HN ASP- 113 100.000% *100.0000% (0.79 10.0 3.13 13.36) = 100.000% kept Peak 685 (2.33, 8.43, 117.70 ppm): 3 chemical-shift based assignments, quality = 0.659, support = 0.978, residual support = 0.789: HG3 GLU- 25 - HN ASP- 113 33.333% * 79.0411% (0.71 1.12 0.97) = 79.041% kept HG2 PRO 52 - HN ASP- 113 33.333% * 20.6247% (0.47 0.45 0.11) = 20.625% kept HB2 PRO 58 - HN ASP- 113 33.333% * 0.3342% (0.17 0.02 0.02) = 0.334% Peak 686 (2.02, 8.43, 117.70 ppm): 8 chemical-shift based assignments, quality = 0.665, support = 2.04, residual support = 4.87: HB2 LYS+ 111 - HN ASP- 113 12.500% * 61.9972% (0.85 2.13 2.62) = 61.997% kept QB GLU- 114 - HN ASP- 113 12.500% * 20.2969% (0.20 2.95 15.22) = 20.297% kept HB3 GLU- 25 - HN ASP- 113 12.500% * 15.8989% (0.62 0.75 0.97) = 15.899% kept HB2 GLN 17 - HN ASP- 113 12.500% * 0.5582% (0.81 0.02 0.02) = 0.558% QB GLU- 15 - HN ASP- 113 12.500% * 0.5582% (0.81 0.02 0.02) = 0.558% HB3 PRO 68 - HN ASP- 113 12.500% * 0.4570% (0.67 0.02 0.02) = 0.457% HG3 GLN 30 - HN ASP- 113 12.500% * 0.1376% (0.20 0.02 0.02) = 0.138% HB ILE 19 - HN ASP- 113 12.500% * 0.0960% (0.14 0.02 0.02) = 0.096% Peak 687 (1.39, 8.43, 117.70 ppm): 9 chemical-shift based assignments, quality = 0.458, support = 4.71, residual support = 13.4: HB2 LYS+ 112 - HN ASP- 113 11.111% * 91.7986% (0.47 5.12 14.58) = 91.799% kept HB3 LEU 73 - HN ASP- 113 11.111% * 4.9848% (0.62 0.21 0.02) = 4.985% kept HG3 LYS+ 33 - HN ASP- 113 11.111% * 0.6059% (0.79 0.02 0.02) = 0.606% QB ALA 12 - HN ASP- 113 11.111% * 0.5482% (0.71 0.02 0.02) = 0.548% HB VAL 42 - HN ASP- 113 11.111% * 0.5482% (0.71 0.02 0.02) = 0.548% HG3 LYS+ 65 - HN ASP- 113 11.111% * 0.5482% (0.71 0.02 0.02) = 0.548% HG3 LYS+ 102 - HN ASP- 113 11.111% * 0.4378% (0.57 0.02 0.02) = 0.438% QB LEU 98 - HN ASP- 113 11.111% * 0.2819% (0.37 0.02 0.02) = 0.282% HG3 LYS+ 106 - HN ASP- 113 11.111% * 0.2463% (0.32 0.02 0.02) = 0.246% Peak 688 (1.18, 8.43, 117.70 ppm): 4 chemical-shift based assignments, quality = 0.555, support = 4.84, residual support = 14.5: HB3 LYS+ 112 - HN ASP- 113 25.000% * 77.6567% (0.67 4.74 14.58) = 77.657% kept HD2 LYS+ 112 - HN ASP- 113 25.000% * 21.9033% (0.17 5.29 14.58) = 21.903% kept QG2 THR 94 - HN ASP- 113 25.000% * 0.3041% (0.62 0.02 0.02) = 0.304% HG13 ILE 103 - HN ASP- 113 25.000% * 0.1360% (0.28 0.02 0.02) = 0.136% Peak 689 (4.37, 8.16, 121.97 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 3.06, residual support = 15.2: O HA ASP- 113 - HN GLU- 114 16.667% * 99.8165% (1.00 10.0 3.07 15.22) = 99.817% kept HA LYS+ 99 - HN GLU- 114 16.667% * 0.0608% (0.61 1.0 0.02 0.02) = 0.061% HA ASN 35 - HN GLU- 114 16.667% * 0.0377% (0.38 1.0 0.02 0.02) = 0.038% HA PHE 59 - HN GLU- 114 16.667% * 0.0326% (0.32 1.0 0.02 0.15) = 0.033% HA ILE 56 - HN GLU- 114 16.667% * 0.0326% (0.32 1.0 0.02 0.02) = 0.033% HA LEU 123 - HN GLU- 114 16.667% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% Peak 690 (2.68, 8.16, 121.97 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.07, residual support = 15.2: QB ASP- 113 - HN GLU- 114 100.000% *100.0000% (0.92 3.07 15.22) = 100.000% kept Peak 691 (2.32, 8.16, 121.97 ppm): 6 chemical-shift based assignments, quality = 0.712, support = 2.32, residual support = 18.6: QG GLU- 114 - HN GLU- 114 16.667% * 64.5821% (0.67 3.24 28.68) = 64.582% kept HG3 GLU- 25 - HN GLU- 114 16.667% * 18.1793% (0.73 0.84 0.36) = 18.179% kept HG2 PRO 52 - HN GLU- 114 16.667% * 14.5921% (0.96 0.51 0.02) = 14.592% kept HG2 MET 92 - HN GLU- 114 16.667% * 1.8523% (0.55 0.11 0.02) = 1.852% kept HB2 GLU- 79 - HN GLU- 114 16.667% * 0.4679% (0.78 0.02 0.02) = 0.468% HG3 GLU- 36 - HN GLU- 114 16.667% * 0.3264% (0.55 0.02 0.02) = 0.326% Peak 692 (2.01, 8.16, 121.97 ppm): 8 chemical-shift based assignments, quality = 0.693, support = 3.47, residual support = 25.4: O QB GLU- 114 - HN GLU- 114 12.500% * 88.2969% (0.67 10.0 3.80 28.68) = 88.297% kept HB3 GLU- 25 - HN GLU- 114 12.500% * 7.4117% (1.00 1.0 1.12 0.36) = 7.412% kept HB2 LYS+ 111 - HN GLU- 114 12.500% * 3.8857% (0.78 1.0 0.75 0.02) = 3.886% kept QB GLU- 15 - HN GLU- 114 12.500% * 0.1168% (0.88 1.0 0.02 0.02) = 0.117% HB2 GLN 17 - HN GLU- 114 12.500% * 0.1168% (0.88 1.0 0.02 0.02) = 0.117% HB ILE 19 - HN GLU- 114 12.500% * 0.0723% (0.55 1.0 0.02 0.02) = 0.072% HG2 PRO 68 - HN GLU- 114 12.500% * 0.0569% (0.43 1.0 0.02 0.02) = 0.057% HB3 PRO 68 - HN GLU- 114 12.500% * 0.0430% (0.32 1.0 0.02 0.02) = 0.043% Peak 693 (1.52, 8.16, 121.97 ppm): 5 chemical-shift based assignments, quality = 0.936, support = 0.349, residual support = 0.883: HB3 LYS+ 121 - HN GLU- 114 20.000% * 85.8324% (0.96 0.40 1.03) = 85.832% kept HG LEU 104 - HN GLU- 114 20.000% * 4.2585% (0.96 0.02 0.02) = 4.258% kept HB3 LYS+ 111 - HN GLU- 114 20.000% * 3.7207% (0.84 0.02 0.02) = 3.721% kept HD3 LYS+ 74 - HN GLU- 114 20.000% * 3.4866% (0.78 0.02 0.02) = 3.487% kept QD LYS+ 66 - HN GLU- 114 20.000% * 2.7018% (0.61 0.02 0.02) = 2.702% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 694 (1.14, 8.16, 121.97 ppm): 5 chemical-shift based assignments, quality = 0.629, support = 1.36, residual support = 0.955: HG2 LYS+ 121 - HN GLU- 114 20.000% * 33.4731% (0.55 1.69 1.03) = 33.473% kept HG13 ILE 119 - HN GLU- 114 20.000% * 29.7046% (0.49 1.68 1.00) = 29.705% kept QB ALA 20 - HN GLU- 114 20.000% * 28.4238% (1.00 0.79 0.66) = 28.424% kept QG2 VAL 107 - HN GLU- 114 20.000% * 8.0860% (0.24 0.94 1.56) = 8.086% kept HB3 LEU 31 - HN GLU- 114 20.000% * 0.3125% (0.43 0.02 0.02) = 0.313% Peak 695 (3.82, 8.85, 104.25 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 3.18, residual support = 12.4: O HA GLU- 100 - HN GLY 101 16.667% * 99.2016% (0.28 10.0 3.20 12.51) = 99.202% kept HB2 CYS 53 - HN GLY 101 16.667% * 0.3294% (0.92 1.0 0.02 0.02) = 0.329% HD2 PRO 58 - HN GLY 101 16.667% * 0.1533% (0.43 1.0 0.02 0.02) = 0.153% HA GLN 30 - HN GLY 101 16.667% * 0.1158% (0.32 1.0 0.02 0.02) = 0.116% HA VAL 83 - HN GLY 101 16.667% * 0.1158% (0.32 1.0 0.02 0.02) = 0.116% HD3 PRO 52 - HN GLY 101 16.667% * 0.0841% (0.24 1.0 0.02 0.02) = 0.084% Peak 696 (3.54, 8.85, 104.25 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 2.72, residual support = 8.56: O HA2 GLY 101 - HN GLY 101 100.000% *100.0000% (0.24 10.0 2.72 8.56) = 100.000% kept Peak 697 (3.82, 10.11, 128.03 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 6.14, residual support = 71.1: O HA GLU- 100 - HN GLU- 100 16.667% * 99.2016% (0.28 10.0 6.19 71.64) = 99.202% kept HB2 CYS 53 - HN GLU- 100 16.667% * 0.3294% (0.92 1.0 0.02 0.02) = 0.329% HD2 PRO 58 - HN GLU- 100 16.667% * 0.1533% (0.43 1.0 0.02 0.02) = 0.153% HA GLN 30 - HN GLU- 100 16.667% * 0.1158% (0.32 1.0 0.02 0.02) = 0.116% HA VAL 83 - HN GLU- 100 16.667% * 0.1158% (0.32 1.0 0.02 0.02) = 0.116% HD3 PRO 52 - HN GLU- 100 16.667% * 0.0841% (0.24 1.0 0.02 0.02) = 0.084% Peak 698 (2.10, 10.11, 128.03 ppm): 4 chemical-shift based assignments, quality = 0.447, support = 3.44, residual support = 69.1: HG3 GLU- 100 - HN GLU- 100 25.000% * 96.4771% (0.43 3.56 71.64) = 96.477% kept HB2 PRO 68 - HN GLU- 100 25.000% * 1.2052% (0.96 0.02 0.02) = 1.205% kept QB GLN 32 - HN GLU- 100 25.000% * 1.2052% (0.96 0.02 0.02) = 1.205% kept HB VAL 24 - HN GLU- 100 25.000% * 1.1125% (0.88 0.02 0.02) = 1.113% kept Peak 699 (1.76, 10.11, 128.03 ppm): 3 chemical-shift based assignments, quality = 0.482, support = 4.79, residual support = 24.6: HB2 LYS+ 99 - HN GLU- 100 33.333% * 98.9806% (0.49 4.84 24.88) = 98.981% kept HB VAL 43 - HN GLU- 100 33.333% * 0.5605% (0.67 0.02 0.02) = 0.560% QD LYS+ 81 - HN GLU- 100 33.333% * 0.4589% (0.55 0.02 0.02) = 0.459% Peak 700 (1.32, 10.11, 128.03 ppm): 6 chemical-shift based assignments, quality = 0.8, support = 3.78, residual support = 15.8: HG2 LYS+ 99 - HN GLU- 100 16.667% * 62.7570% (0.78 5.34 24.88) = 62.757% kept HG2 LYS+ 38 - HN GLU- 100 16.667% * 18.2026% (0.92 1.31 0.50) = 18.203% kept QB ALA 88 - HN GLU- 100 16.667% * 14.3495% (0.88 1.08 0.73) = 14.350% kept QG2 THR 77 - HN GLU- 100 16.667% * 4.4946% (0.32 0.92 0.44) = 4.495% kept HG2 LYS+ 111 - HN GLU- 100 16.667% * 0.1128% (0.38 0.02 0.02) = 0.113% HB2 LEU 31 - HN GLU- 100 16.667% * 0.0835% (0.28 0.02 0.02) = 0.084% Peak 702 (1.77, 8.33, 118.17 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 3.46, residual support = 141.8: O HB2 LYS+ 99 - HN LYS+ 99 25.000% * 98.3647% (0.98 10.0 3.51 144.19) = 98.365% kept QD LYS+ 81 - HN LYS+ 99 25.000% * 1.5188% (0.96 1.0 0.32 0.02) = 1.519% kept HB VAL 43 - HN LYS+ 99 25.000% * 0.0886% (0.88 1.0 0.02 0.02) = 0.089% HB3 GLN 17 - HN LYS+ 99 25.000% * 0.0279% (0.28 1.0 0.02 0.02) = 0.028% Peak 703 (1.41, 8.33, 118.17 ppm): 9 chemical-shift based assignments, quality = 0.534, support = 1.95, residual support = 4.96: QB LEU 98 - HN LYS+ 99 11.111% * 46.2479% (0.28 3.46 10.29) = 46.248% kept HB2 LEU 80 - HN LYS+ 99 11.111% * 31.0831% (0.92 0.70 0.40) = 31.083% kept HG LEU 80 - HN LYS+ 99 11.111% * 19.4653% (0.61 0.67 0.40) = 19.465% kept HG12 ILE 19 - HN LYS+ 99 11.111% * 0.7526% (0.78 0.02 0.02) = 0.753% HD3 LYS+ 121 - HN LYS+ 99 11.111% * 0.6982% (0.73 0.02 0.02) = 0.698% HB3 LYS+ 74 - HN LYS+ 99 11.111% * 0.6413% (0.67 0.02 0.02) = 0.641% QB ALA 110 - HN LYS+ 99 11.111% * 0.6413% (0.67 0.02 0.02) = 0.641% QB ALA 61 - HN LYS+ 99 11.111% * 0.3122% (0.32 0.02 0.02) = 0.312% HB3 LEU 67 - HN LYS+ 99 11.111% * 0.1581% (0.16 0.02 0.02) = 0.158% Peak 704 (0.72, 8.33, 118.17 ppm): 3 chemical-shift based assignments, quality = 0.523, support = 2.95, residual support = 7.52: QD2 LEU 104 - HN LYS+ 99 33.333% * 54.9355% (0.61 3.18 6.65) = 54.935% kept QD1 LEU 98 - HN LYS+ 99 33.333% * 37.5507% (0.43 3.07 10.29) = 37.551% kept QD1 ILE 19 - HN LYS+ 99 33.333% * 7.5138% (0.38 0.70 0.02) = 7.514% kept Peak 706 (0.59, 8.33, 118.17 ppm): 5 chemical-shift based assignments, quality = 0.78, support = 1.88, residual support = 4.67: QD1 LEU 104 - HN LYS+ 99 20.000% * 68.7335% (0.73 2.51 6.65) = 68.734% kept QD2 LEU 80 - HN LYS+ 99 20.000% * 23.4816% (0.98 0.63 0.40) = 23.482% kept QD1 LEU 63 - HN LYS+ 99 20.000% * 4.2497% (0.73 0.16 0.02) = 4.250% kept QD1 LEU 73 - HN LYS+ 99 20.000% * 2.7840% (0.73 0.10 0.02) = 2.784% kept QD2 LEU 115 - HN LYS+ 99 20.000% * 0.7513% (1.00 0.02 0.02) = 0.751% Peak 707 (2.38, 9.69, 125.68 ppm): 5 chemical-shift based assignments, quality = 0.44, support = 2.68, residual support = 6.65: HB3 PHE 97 - HN LEU 98 20.000% * 77.5659% (0.38 3.40 8.56) = 77.566% kept HB2 GLN 116 - HN LEU 98 20.000% * 10.9148% (0.61 0.30 0.02) = 10.915% kept HB2 GLU- 100 - HN LEU 98 20.000% * 6.8837% (0.78 0.14 0.02) = 6.884% kept QG GLU- 79 - HN LEU 98 20.000% * 4.3487% (0.67 0.11 0.02) = 4.349% kept QG GLN 32 - HN LEU 98 20.000% * 0.2868% (0.24 0.02 0.02) = 0.287% Peak 708 (1.84, 9.69, 125.68 ppm): 9 chemical-shift based assignments, quality = 0.599, support = 1.51, residual support = 4.76: HG12 ILE 103 - HN LEU 98 11.111% * 38.5056% (0.61 2.16 4.29) = 38.506% kept HB VAL 41 - HN LEU 98 11.111% * 21.3033% (0.38 1.93 11.13) = 21.303% kept HG LEU 123 - HN LEU 98 11.111% * 13.5811% (0.96 0.48 0.02) = 13.581% kept HB3 PRO 52 - HN LEU 98 11.111% * 13.5811% (0.96 0.48 0.02) = 13.581% kept HB ILE 103 - HN LEU 98 11.111% * 6.5958% (0.24 0.95 4.29) = 6.596% kept HB3 ASP- 105 - HN LEU 98 11.111% * 6.0562% (0.16 1.25 7.33) = 6.056% kept HG3 PRO 68 - HN LEU 98 11.111% * 0.1636% (0.28 0.02 0.02) = 0.164% HG2 ARG+ 54 - HN LEU 98 11.111% * 0.1165% (0.20 0.02 0.02) = 0.116% QB LYS+ 66 - HN LEU 98 11.111% * 0.0968% (0.16 0.02 0.02) = 0.097% Peak 709 (1.41, 9.69, 125.68 ppm): 8 chemical-shift based assignments, quality = 0.658, support = 3.56, residual support = 56.7: O QB LEU 98 - HN LEU 98 12.500% * 95.3257% (0.67 10.0 3.71 59.44) = 95.326% kept HG12 ILE 19 - HN LEU 98 12.500% * 2.4265% (0.38 1.0 0.90 0.02) = 2.426% kept HB3 LYS+ 74 - HN LEU 98 12.500% * 1.3425% (0.98 1.0 0.19 0.02) = 1.342% kept HB2 LEU 80 - HN LEU 98 12.500% * 0.6500% (0.96 1.0 0.10 0.02) = 0.650% HD3 LYS+ 121 - HN LEU 98 12.500% * 0.1422% (1.00 1.0 0.02 0.02) = 0.142% QB ALA 110 - HN LEU 98 12.500% * 0.0397% (0.28 1.0 0.02 0.02) = 0.040% QB ALA 12 - HN LEU 98 12.500% * 0.0397% (0.28 1.0 0.02 0.12) = 0.040% HG LEU 80 - HN LEU 98 12.500% * 0.0337% (0.24 1.0 0.02 0.02) = 0.034% Peak 710 (0.99, 9.69, 125.68 ppm): 5 chemical-shift based assignments, quality = 0.823, support = 2.56, residual support = 4.46: QD2 LEU 40 - HN LEU 98 20.000% * 61.5618% (0.92 3.47 5.83) = 61.562% kept QG2 ILE 103 - HN LEU 98 20.000% * 19.8363% (0.73 1.42 4.29) = 19.836% kept HB VAL 75 - HN LEU 98 20.000% * 10.3778% (0.49 1.11 0.16) = 10.378% kept QD1 LEU 67 - HN LEU 98 20.000% * 4.5040% (0.88 0.27 0.02) = 4.504% kept HG3 LYS+ 74 - HN LEU 98 20.000% * 3.7202% (0.55 0.35 0.02) = 3.720% kept Peak 711 (0.73, 9.69, 125.68 ppm): 4 chemical-shift based assignments, quality = 0.837, support = 0.785, residual support = 5.5: QD2 LEU 104 - HN LEU 98 25.000% * 73.5500% (0.98 0.92 7.45) = 73.550% kept QG2 THR 46 - HN LEU 98 25.000% * 15.9540% (0.32 0.60 0.12) = 15.954% kept QD1 ILE 19 - HN LEU 98 25.000% * 6.8988% (0.84 0.10 0.02) = 6.899% kept QG2 VAL 18 - HN LEU 98 25.000% * 3.5973% (0.20 0.22 0.02) = 3.597% kept Peak 712 (0.58, 9.69, 125.68 ppm): 5 chemical-shift based assignments, quality = 0.641, support = 0.42, residual support = 0.107: QD2 LEU 63 - HN LEU 98 20.000% * 83.5863% (0.67 0.49 0.12) = 83.586% kept QD2 LEU 80 - HN LEU 98 20.000% * 6.9884% (0.24 0.12 0.02) = 6.988% kept QD1 LEU 73 - HN LEU 98 20.000% * 4.0019% (0.78 0.02 0.02) = 4.002% kept QD1 LEU 63 - HN LEU 98 20.000% * 4.0019% (0.78 0.02 0.12) = 4.002% kept QD2 LEU 115 - HN LEU 98 20.000% * 1.4216% (0.28 0.02 0.02) = 1.422% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 713 (2.99, 8.40, 123.79 ppm): 4 chemical-shift based assignments, quality = 0.868, support = 4.28, residual support = 51.2: O HB2 PHE 97 - HN PHE 97 25.000% * 97.7535% (0.88 10.0 4.34 52.15) = 97.753% kept QE LYS+ 106 - HN PHE 97 25.000% * 2.1083% (0.24 1.0 1.61 8.02) = 2.108% kept HB3 TRP 27 - HN PHE 97 25.000% * 0.1023% (0.92 1.0 0.02 0.02) = 0.102% QE LYS+ 99 - HN PHE 97 25.000% * 0.0360% (0.32 1.0 0.02 0.02) = 0.036% Peak 714 (2.63, 8.40, 123.79 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 4.89, residual support = 26.4: HG2 MET 96 - HN PHE 97 50.000% * 99.4457% (0.49 4.92 26.51) = 99.446% kept HB2 PRO 52 - HN PHE 97 50.000% * 0.5543% (0.67 0.02 0.02) = 0.554% Peak 715 (2.38, 8.40, 123.79 ppm): 4 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02: QG GLU- 79 - HN PHE 97 25.000% * 45.5479% (1.00 0.02 0.02) = 45.548% kept QG GLN 32 - HN PHE 97 25.000% * 30.5317% (0.67 0.02 0.02) = 30.532% kept HB2 GLU- 100 - HN PHE 97 25.000% * 14.8614% (0.32 0.02 0.02) = 14.861% kept HB2 GLN 116 - HN PHE 97 25.000% * 9.0591% (0.20 0.02 0.02) = 9.059% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 716 (2.24, 8.40, 123.79 ppm): 5 chemical-shift based assignments, quality = 0.892, support = 2.73, residual support = 35.4: HB2 ASP- 105 - HN PHE 97 20.000% * 77.3512% (0.96 3.38 45.70) = 77.351% kept HG3 MET 92 - HN PHE 97 20.000% * 10.3217% (0.78 0.55 0.02) = 10.322% kept HG2 GLU- 100 - HN PHE 97 20.000% * 8.3668% (0.55 0.64 0.02) = 8.367% kept HB3 ASP- 76 - HN PHE 97 20.000% * 2.8676% (0.67 0.18 0.02) = 2.868% kept HB2 GLU- 29 - HN PHE 97 20.000% * 1.0926% (0.61 0.08 0.02) = 1.093% kept Peak 717 (1.90, 8.40, 123.79 ppm): 5 chemical-shift based assignments, quality = 0.87, support = 0.122, residual support = 0.02: HB3 PRO 58 - HN PHE 97 20.000% * 80.3273% (0.96 0.15 0.02) = 80.327% kept HB2 MET 92 - HN PHE 97 20.000% * 8.2732% (0.73 0.02 0.02) = 8.273% kept HB3 GLN 30 - HN PHE 97 20.000% * 5.5457% (0.49 0.02 0.02) = 5.546% kept HG3 MET 11 - HN PHE 97 20.000% * 3.1678% (0.28 0.02 0.02) = 3.168% kept HB3 LYS+ 38 - HN PHE 97 20.000% * 2.6859% (0.24 0.02 0.02) = 2.686% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 718 (1.00, 8.40, 123.79 ppm): 5 chemical-shift based assignments, quality = 0.666, support = 1.67, residual support = 3.0: HB VAL 75 - HN PHE 97 20.000% * 49.4252% (0.88 2.04 5.50) = 49.425% kept QD2 LEU 40 - HN PHE 97 20.000% * 25.4004% (0.55 1.69 1.09) = 25.400% kept QD1 LEU 67 - HN PHE 97 20.000% * 10.5438% (0.49 0.79 0.02) = 10.544% kept QG2 ILE 103 - HN PHE 97 20.000% * 8.5197% (0.32 0.95 0.02) = 8.520% kept HG3 LYS+ 74 - HN PHE 97 20.000% * 6.1110% (0.20 1.12 0.02) = 6.111% kept Peak 719 (2.52, 9.32, 123.66 ppm): 3 chemical-shift based assignments, quality = 0.362, support = 0.157, residual support = 0.079: HG3 GLN 116 - HN MET 96 33.333% * 64.9882% (0.17 0.23 0.11) = 64.988% kept HG2 GLU- 25 - HN MET 96 33.333% * 27.1234% (0.84 0.02 0.02) = 27.123% kept HB3 TRP 87 - HN MET 96 33.333% * 7.8884% (0.25 0.02 0.02) = 7.888% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 720 (2.21, 9.32, 123.66 ppm): 7 chemical-shift based assignments, quality = 0.876, support = 3.59, residual support = 106.0: O HB2 MET 96 - HN MET 96 14.286% * 99.7756% (0.88 10.0 3.60 106.22) = 99.776% kept HG2 GLU- 100 - HN MET 96 14.286% * 0.0548% (0.48 1.0 0.02 0.02) = 0.055% HB VAL 70 - HN MET 96 14.286% * 0.0488% (0.43 1.0 0.02 0.02) = 0.049% HB3 ASP- 76 - HN MET 96 14.286% * 0.0431% (0.38 1.0 0.02 0.02) = 0.043% QG GLN 17 - HN MET 96 14.286% * 0.0376% (0.33 1.0 0.02 0.02) = 0.038% HB2 GLU- 25 - HN MET 96 14.286% * 0.0236% (0.21 1.0 0.02 0.02) = 0.024% HB2 ASP- 105 - HN MET 96 14.286% * 0.0165% (0.15 1.0 0.02 0.02) = 0.016% Peak 721 (1.94, 9.32, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.283, support = 3.25, residual support = 103.1: O HB3 MET 96 - HN MET 96 25.000% * 97.0713% (0.29 10.0 3.33 106.22) = 97.071% kept HB VAL 18 - HN MET 96 25.000% * 2.4835% (0.21 1.0 0.70 0.44) = 2.484% kept HB2 LEU 40 - HN MET 96 25.000% * 0.2639% (0.78 1.0 0.02 0.55) = 0.264% HB3 ARG+ 54 - HN MET 96 25.000% * 0.1814% (0.54 1.0 0.02 0.02) = 0.181% Peak 722 (1.80, 9.32, 123.66 ppm): 5 chemical-shift based assignments, quality = 0.631, support = 0.442, residual support = 0.459: HB2 LEU 71 - HN MET 96 20.000% * 72.9477% (0.64 0.57 0.62) = 72.948% kept HB3 GLN 17 - HN MET 96 20.000% * 18.0853% (0.74 0.12 0.02) = 18.085% kept HG2 PRO 93 - HN MET 96 20.000% * 4.8667% (0.17 0.14 0.02) = 4.867% kept QB LYS+ 65 - HN MET 96 20.000% * 2.3704% (0.59 0.02 0.02) = 2.370% kept QB LYS+ 102 - HN MET 96 20.000% * 1.7299% (0.43 0.02 0.02) = 1.730% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 723 (1.19, 9.32, 123.66 ppm): 4 chemical-shift based assignments, quality = 0.769, support = 0.95, residual support = 4.24: HD2 LYS+ 112 - HN MET 96 25.000% * 40.0734% (0.84 1.17 8.27) = 40.073% kept QG2 THR 94 - HN MET 96 25.000% * 27.9181% (0.69 0.99 0.34) = 27.918% kept HB3 LEU 71 - HN MET 96 25.000% * 23.7610% (0.78 0.75 0.62) = 23.761% kept HB3 LYS+ 112 - HN MET 96 25.000% * 8.2475% (0.64 0.32 8.27) = 8.248% kept Peak 724 (0.75, 9.32, 123.66 ppm): 6 chemical-shift based assignments, quality = 0.715, support = 1.06, residual support = 2.24: QG1 VAL 43 - HN MET 96 16.667% * 29.8638% (0.54 1.57 6.51) = 29.864% kept QG2 VAL 18 - HN MET 96 16.667% * 26.8143% (0.81 0.93 0.44) = 26.814% kept QG2 THR 46 - HN MET 96 16.667% * 26.1514% (0.88 0.84 0.54) = 26.151% kept QD1 ILE 19 - HN MET 96 16.667% * 16.6625% (0.64 0.73 0.25) = 16.662% kept QD2 LEU 104 - HN MET 96 16.667% * 0.3048% (0.43 0.02 0.02) = 0.305% QG1 VAL 41 - HN MET 96 16.667% * 0.2033% (0.29 0.02 0.02) = 0.203% Peak 725 (0.58, 9.32, 123.66 ppm): 5 chemical-shift based assignments, quality = 0.49, support = 0.651, residual support = 0.441: QD2 LEU 115 - HN MET 96 20.000% * 31.1882% (0.25 1.28 1.20) = 31.188% kept QD2 LEU 63 - HN MET 96 20.000% * 29.4577% (0.59 0.50 0.13) = 29.458% kept QD1 LEU 63 - HN MET 96 20.000% * 19.7934% (0.69 0.29 0.13) = 19.793% kept QD1 LEU 73 - HN MET 96 20.000% * 13.0635% (0.69 0.19 0.02) = 13.063% kept QD2 LEU 80 - HN MET 96 20.000% * 6.4973% (0.21 0.32 0.02) = 6.497% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 726 (0.10, 9.32, 123.66 ppm): 2 chemical-shift based assignments, quality = 0.408, support = 1.39, residual support = 3.46: QD1 ILE 89 - HN MET 96 50.000% * 76.0150% (0.48 1.44 4.18) = 76.015% kept QG2 VAL 83 - HN MET 96 50.000% * 23.9850% (0.17 1.25 1.18) = 23.985% kept Peak 727 (3.21, 9.87, 125.46 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.84, residual support = 70.2: O HB2 PHE 95 - HN PHE 95 100.000% *100.0000% (0.73 10.0 3.84 70.16) = 100.000% kept Peak 728 (2.54, 9.87, 125.46 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 3.83, residual support = 70.1: O HB3 PHE 95 - HN PHE 95 33.333% * 99.8906% (0.96 10.0 3.84 70.16) = 99.891% kept HG2 GLN 116 - HN PHE 95 33.333% * 0.0922% (0.88 1.0 0.02 0.02) = 0.092% HG2 GLU- 25 - HN PHE 95 33.333% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 729 (2.41, 9.87, 125.46 ppm): 4 chemical-shift based assignments, quality = 0.857, support = 2.46, residual support = 19.2: HB VAL 107 - HN PHE 95 25.000% * 77.6094% (0.98 2.96 24.55) = 77.609% kept QE LYS+ 112 - HN PHE 95 25.000% * 10.4998% (0.43 0.91 0.38) = 10.500% kept HB3 PHE 45 - HN PHE 95 25.000% * 7.2056% (0.43 0.63 1.91) = 7.206% kept QG GLN 32 - HN PHE 95 25.000% * 4.6853% (0.43 0.41 0.02) = 4.685% kept Peak 730 (1.18, 9.87, 125.46 ppm): 4 chemical-shift based assignments, quality = 0.68, support = 2.41, residual support = 7.66: QG2 THR 94 - HN PHE 95 25.000% * 68.7351% (0.73 3.14 10.96) = 68.735% kept HB3 LYS+ 112 - HN PHE 95 25.000% * 18.9889% (0.78 0.80 0.38) = 18.989% kept HG13 ILE 103 - HN PHE 95 25.000% * 6.5237% (0.32 0.67 0.54) = 6.524% kept HD2 LYS+ 112 - HN PHE 95 25.000% * 5.7522% (0.20 0.96 0.38) = 5.752% kept Peak 731 (3.96, 8.03, 115.19 ppm): 8 chemical-shift based assignments, quality = 0.368, support = 2.14, residual support = 16.3: O HB THR 94 - HN THR 94 12.500% * 98.1155% (0.38 10.0 2.18 16.65) = 98.116% kept QB SER 85 - HN THR 94 12.500% * 0.9269% (0.92 1.0 0.08 0.02) = 0.927% HA2 GLY 16 - HN THR 94 12.500% * 0.2413% (0.92 1.0 0.02 0.02) = 0.241% HA ALA 120 - HN THR 94 12.500% * 0.2307% (0.88 1.0 0.02 0.02) = 0.231% HA LYS+ 65 - HN THR 94 12.500% * 0.2184% (0.84 1.0 0.02 0.02) = 0.218% QB SER 48 - HN THR 94 12.500% * 0.1428% (0.55 1.0 0.02 0.02) = 0.143% HA LYS+ 121 - HN THR 94 12.500% * 0.0727% (0.28 1.0 0.02 0.02) = 0.073% HA2 GLY 51 - HN THR 94 12.500% * 0.0517% (0.20 1.0 0.02 0.02) = 0.052% Peak 732 (3.06, 8.03, 115.19 ppm): 3 chemical-shift based assignments, quality = 0.936, support = 2.62, residual support = 9.0: HB2 PHE 45 - HN THR 94 33.333% * 53.2742% (0.88 2.94 15.13) = 53.274% kept QE LYS+ 111 - HN THR 94 33.333% * 46.6115% (1.00 2.27 2.03) = 46.612% kept HB2 CYS 21 - HN THR 94 33.333% * 0.1143% (0.28 0.02 0.02) = 0.114% Peak 733 (2.44, 8.03, 115.19 ppm): 5 chemical-shift based assignments, quality = 0.402, support = 1.38, residual support = 8.13: HB3 PHE 45 - HN THR 94 20.000% * 52.9340% (0.28 2.01 15.13) = 52.934% kept QE LYS+ 112 - HN THR 94 20.000% * 28.2393% (0.28 1.07 0.43) = 28.239% kept HG2 GLU- 29 - HN THR 94 20.000% * 9.2761% (0.98 0.10 0.02) = 9.276% kept HB3 ASP- 86 - HN THR 94 20.000% * 8.7359% (0.98 0.09 0.02) = 8.736% kept HB3 ASP- 62 - HN THR 94 20.000% * 0.8147% (0.43 0.02 0.02) = 0.815% Peak 734 (2.06, 8.03, 115.19 ppm): 7 chemical-shift based assignments, quality = 0.954, support = 4.29, residual support = 11.3: O HB2 PRO 93 - HN THR 94 14.286% * 99.8185% (0.96 10.0 4.30 11.35) = 99.819% kept HB2 ARG+ 54 - HN THR 94 14.286% * 0.0570% (0.55 1.0 0.02 0.02) = 0.057% HB VAL 108 - HN THR 94 14.286% * 0.0449% (0.43 1.0 0.02 0.02) = 0.045% HG2 MET 11 - HN THR 94 14.286% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% HB2 GLU- 14 - HN THR 94 14.286% * 0.0207% (0.20 1.0 0.02 0.02) = 0.021% HB ILE 119 - HN THR 94 14.286% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% HB2 GLN 30 - HN THR 94 14.286% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 735 (1.36, 8.03, 115.19 ppm): 12 chemical-shift based assignments, quality = 0.772, support = 2.82, residual support = 11.0: O HB3 PRO 93 - HN THR 94 8.333% * 96.8394% (0.78 10.0 2.89 11.35) = 96.839% kept HB2 LYS+ 112 - HN THR 94 8.333% * 2.6496% (0.55 1.0 0.78 0.43) = 2.650% kept QB ALA 84 - HN THR 94 8.333% * 0.0898% (0.73 1.0 0.02 0.02) = 0.090% HG3 LYS+ 106 - HN THR 94 8.333% * 0.0898% (0.73 1.0 0.02 0.02) = 0.090% HG LEU 98 - HN THR 94 8.333% * 0.0676% (0.55 1.0 0.02 0.02) = 0.068% HG3 LYS+ 102 - HN THR 94 8.333% * 0.0531% (0.43 1.0 0.02 0.02) = 0.053% HB3 LEU 73 - HN THR 94 8.333% * 0.0464% (0.38 1.0 0.02 0.02) = 0.046% QB ALA 124 - HN THR 94 8.333% * 0.0464% (0.38 1.0 0.02 0.02) = 0.046% HB VAL 42 - HN THR 94 8.333% * 0.0344% (0.28 1.0 0.02 0.02) = 0.034% HG3 LYS+ 65 - HN THR 94 8.333% * 0.0344% (0.28 1.0 0.02 0.02) = 0.034% HB3 ASP- 44 - HN THR 94 8.333% * 0.0245% (0.20 1.0 0.02 0.02) = 0.024% HG3 LYS+ 33 - HN THR 94 8.333% * 0.0245% (0.20 1.0 0.02 0.02) = 0.024% Peak 736 (1.21, 8.03, 115.19 ppm): 4 chemical-shift based assignments, quality = 0.575, support = 0.955, residual support = 1.6: HG3 LYS+ 111 - HN THR 94 25.000% * 41.6796% (0.67 1.02 2.03) = 41.680% kept HD2 LYS+ 112 - HN THR 94 25.000% * 29.0002% (0.49 0.98 0.43) = 29.000% kept HG12 ILE 89 - HN THR 94 25.000% * 28.5799% (0.55 0.86 2.19) = 28.580% kept HB3 LEU 71 - HN THR 94 25.000% * 0.7403% (0.61 0.02 0.02) = 0.740% Peak 737 (0.64, 8.03, 115.19 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 0.758, residual support = 2.19: QG2 ILE 89 - HN THR 94 100.000% *100.0000% (0.78 0.76 2.19) = 100.000% kept Peak 738 (2.27, 8.46, 118.59 ppm): 7 chemical-shift based assignments, quality = 0.839, support = 0.66, residual support = 1.84: HB2 ASP- 44 - HN MET 92 14.286% * 48.9546% (0.96 0.63 3.49) = 48.955% kept QG GLN 90 - HN MET 92 14.286% * 45.3976% (0.73 0.77 0.29) = 45.398% kept QG GLU- 15 - HN MET 92 14.286% * 1.6225% (1.00 0.02 0.02) = 1.623% kept QG GLU- 14 - HN MET 92 14.286% * 1.4978% (0.92 0.02 0.02) = 1.498% kept HB3 PHE 72 - HN MET 92 14.286% * 1.3552% (0.84 0.02 0.02) = 1.355% kept QB MET 11 - HN MET 92 14.286% * 0.7898% (0.49 0.02 0.02) = 0.790% HG12 ILE 119 - HN MET 92 14.286% * 0.3825% (0.24 0.02 0.02) = 0.383% Peak 739 (1.89, 8.46, 118.59 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 51.2: O HB2 MET 92 - HN MET 92 20.000% * 99.7206% (1.00 10.0 3.97 51.31) = 99.721% kept HB3 PRO 58 - HN MET 92 20.000% * 0.0925% (0.92 1.0 0.02 0.02) = 0.093% HB3 GLN 30 - HN MET 92 20.000% * 0.0884% (0.88 1.0 0.02 0.02) = 0.088% HB3 LYS+ 38 - HN MET 92 20.000% * 0.0608% (0.61 1.0 0.02 0.02) = 0.061% HB ILE 56 - HN MET 92 20.000% * 0.0376% (0.38 1.0 0.02 0.02) = 0.038% Peak 740 (1.71, 8.46, 118.59 ppm): 7 chemical-shift based assignments, quality = 0.293, support = 3.79, residual support = 48.9: O HB3 MET 92 - HN MET 92 14.286% * 95.2438% (0.28 10.0 3.97 51.31) = 95.244% kept QG1 ILE 56 - HN MET 92 14.286% * 2.2446% (0.55 1.0 0.24 0.02) = 2.245% kept QD LYS+ 99 - HN MET 92 14.286% * 1.8918% (0.84 1.0 0.13 0.02) = 1.892% kept QD LYS+ 106 - HN MET 92 14.286% * 0.2681% (0.78 1.0 0.02 0.02) = 0.268% HB2 LEU 73 - HN MET 92 14.286% * 0.1667% (0.49 1.0 0.02 0.02) = 0.167% HB3 LYS+ 99 - HN MET 92 14.286% * 0.1286% (0.38 1.0 0.02 0.02) = 0.129% HD2 LYS+ 111 - HN MET 92 14.286% * 0.0563% (0.16 1.0 0.02 0.02) = 0.056% Peak 741 (1.25, 8.46, 118.59 ppm): 9 chemical-shift based assignments, quality = 0.941, support = 2.9, residual support = 9.95: QB ALA 91 - HN MET 92 11.111% * 84.8942% (1.00 3.30 11.67) = 84.894% kept HG13 ILE 19 - HN MET 92 11.111% * 13.3083% (0.73 0.71 0.32) = 13.308% kept QG2 THR 39 - HN MET 92 11.111% * 0.5142% (1.00 0.02 0.02) = 0.514% HG3 LYS+ 38 - HN MET 92 11.111% * 0.3753% (0.73 0.02 0.02) = 0.375% HG3 LYS+ 99 - HN MET 92 11.111% * 0.2220% (0.43 0.02 0.02) = 0.222% QG2 ILE 56 - HN MET 92 11.111% * 0.2220% (0.43 0.02 0.02) = 0.222% HG2 LYS+ 74 - HN MET 92 11.111% * 0.1940% (0.38 0.02 0.58) = 0.194% HG LEU 71 - HN MET 92 11.111% * 0.1678% (0.32 0.02 0.02) = 0.168% QB ALA 34 - HN MET 92 11.111% * 0.1023% (0.20 0.02 0.02) = 0.102% Peak 742 (3.88, 7.72, 122.85 ppm): 8 chemical-shift based assignments, quality = 0.32, support = 1.92, residual support = 3.94: HA ILE 89 - HN ALA 91 12.500% * 73.4571% (0.32 2.40 5.28) = 73.457% kept HB3 SER 37 - HN ALA 91 12.500% * 19.4509% (0.32 0.64 0.32) = 19.451% kept HA ILE 89 - HN TRP 27 12.500% * 2.2625% (0.03 0.75 0.16) = 2.263% kept HB3 SER 37 - HN TRP 27 12.500% * 1.7698% (0.03 0.59 0.02) = 1.770% kept HB THR 118 - HN ALA 91 12.500% * 1.6622% (0.88 0.02 0.02) = 1.662% kept HB THR 39 - HN ALA 91 12.500% * 1.2029% (0.16 0.08 0.02) = 1.203% kept HB THR 118 - HN TRP 27 12.500% * 0.1640% (0.09 0.02 0.64) = 0.164% HB THR 39 - HN TRP 27 12.500% * 0.0306% (0.02 0.02 0.02) = 0.031% Peak 743 (2.17, 7.72, 122.85 ppm): 8 chemical-shift based assignments, quality = 0.513, support = 3.92, residual support = 17.3: HB2 GLN 90 - HN ALA 91 12.500% * 77.5909% (0.49 4.80 22.13) = 77.591% kept HB2 LYS+ 38 - HN ALA 91 12.500% * 14.7079% (0.88 0.50 0.02) = 14.708% kept HB2 LYS+ 38 - HN TRP 27 12.500% * 5.6035% (0.09 1.94 2.52) = 5.604% kept HB2 GLN 90 - HN TRP 27 12.500% * 1.3539% (0.05 0.85 0.96) = 1.354% kept HG3 GLU- 29 - HN ALA 91 12.500% * 0.5203% (0.78 0.02 0.02) = 0.520% HB3 GLU- 29 - HN ALA 91 12.500% * 0.1567% (0.24 0.02 0.02) = 0.157% HG3 GLU- 29 - HN TRP 27 12.500% * 0.0513% (0.08 0.02 0.02) = 0.051% HB3 GLU- 29 - HN TRP 27 12.500% * 0.0155% (0.02 0.02 0.02) = 0.015% Peak 744 (1.86, 7.72, 122.85 ppm): 20 chemical-shift based assignments, quality = 0.935, support = 3.95, residual support = 17.9: HB3 GLN 90 - HN ALA 91 5.000% * 80.7992% (0.98 4.79 22.13) = 80.799% kept QB LYS+ 33 - HN ALA 91 5.000% * 8.0531% (1.00 0.47 0.02) = 8.053% kept HB ILE 103 - HN ALA 91 5.000% * 5.1234% (0.88 0.34 0.02) = 5.123% kept HG3 PRO 68 - HN ALA 91 5.000% * 1.6517% (0.84 0.11 0.02) = 1.652% kept HB3 GLN 90 - HN TRP 27 5.000% * 1.4405% (0.10 0.87 0.96) = 1.440% kept HB3 LYS+ 38 - HN ALA 91 5.000% * 1.3369% (0.14 0.57 0.02) = 1.337% kept HB3 ASP- 105 - HN ALA 91 5.000% * 0.3290% (0.96 0.02 0.02) = 0.329% QB LYS+ 81 - HN ALA 91 5.000% * 0.3177% (0.92 0.02 0.02) = 0.318% HG2 ARG+ 54 - HN ALA 91 5.000% * 0.3177% (0.92 0.02 0.02) = 0.318% QB LYS+ 106 - HN ALA 91 5.000% * 0.3037% (0.88 0.02 0.02) = 0.304% HB ILE 56 - HN ALA 91 5.000% * 0.0957% (0.28 0.02 0.02) = 0.096% QB LYS+ 33 - HN TRP 27 5.000% * 0.0340% (0.10 0.02 0.02) = 0.034% HB3 ASP- 105 - HN TRP 27 5.000% * 0.0325% (0.09 0.02 1.17) = 0.032% HG2 ARG+ 54 - HN TRP 27 5.000% * 0.0313% (0.09 0.02 0.02) = 0.031% QB LYS+ 81 - HN TRP 27 5.000% * 0.0313% (0.09 0.02 0.81) = 0.031% QB LYS+ 106 - HN TRP 27 5.000% * 0.0300% (0.09 0.02 0.02) = 0.030% HB ILE 103 - HN TRP 27 5.000% * 0.0300% (0.09 0.02 0.02) = 0.030% HG3 PRO 68 - HN TRP 27 5.000% * 0.0284% (0.08 0.02 0.02) = 0.028% HB ILE 56 - HN TRP 27 5.000% * 0.0094% (0.03 0.02 0.02) = 0.009% HB3 LYS+ 38 - HN TRP 27 5.000% * 0.0046% (0.01 0.02 2.52) = 0.005% Peak 745 (1.26, 7.72, 122.85 ppm): 12 chemical-shift based assignments, quality = 0.836, support = 3.35, residual support = 12.9: O QB ALA 91 - HN ALA 91 8.333% * 94.4767% (0.84 10.0 3.52 13.61) = 94.477% kept HG3 LYS+ 38 - HN ALA 91 8.333% * 3.1714% (1.00 1.0 0.56 0.02) = 3.171% kept QG2 ILE 56 - HN ALA 91 8.333% * 1.8378% (0.84 1.0 0.39 0.02) = 1.838% kept QG2 THR 39 - HN ALA 91 8.333% * 0.3668% (0.84 1.0 0.08 0.02) = 0.367% QB ALA 34 - HN ALA 91 8.333% * 0.0618% (0.55 1.0 0.02 0.02) = 0.062% HG13 ILE 19 - HN ALA 91 8.333% * 0.0367% (0.32 1.0 0.02 0.02) = 0.037% HG3 LYS+ 38 - HN TRP 27 8.333% * 0.0111% (0.10 1.0 0.02 2.52) = 0.011% QB ALA 91 - HN TRP 27 8.333% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% QG2 ILE 56 - HN TRP 27 8.333% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% QG2 THR 39 - HN TRP 27 8.333% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% QB ALA 34 - HN TRP 27 8.333% * 0.0061% (0.05 1.0 0.02 0.02) = 0.006% HG13 ILE 19 - HN TRP 27 8.333% * 0.0036% (0.03 1.0 0.02 0.02) = 0.004% Peak 747 (2.48, 6.80, 112.00 ppm): 6 chemical-shift based assignments, quality = 0.221, support = 0.203, residual support = 0.0812: HB3 TRP 87 - HE22 GLN 90 16.667% * 56.0228% (0.20 0.28 0.13) = 56.023% kept HG3 GLN 116 - HE22 GLN 90 16.667% * 33.9668% (0.28 0.12 0.02) = 33.967% kept HG2 GLU- 36 - HE22 GLN 90 16.667% * 4.7005% (0.24 0.02 0.02) = 4.701% kept HG3 GLN 116 - HE22 GLN 32 16.667% * 2.0744% (0.10 0.02 0.02) = 2.074% kept HG2 GLU- 36 - HE22 GLN 32 16.667% * 1.7589% (0.09 0.02 0.02) = 1.759% kept HB3 TRP 87 - HE22 GLN 32 16.667% * 1.4765% (0.07 0.02 0.02) = 1.477% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 748 (4.63, 7.76, 120.90 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 1.02, residual support = 1.02: HA ALA 20 - HN LYS+ 102 100.000% *100.0000% (1.00 1.02 1.02) = 100.000% kept Peak 749 (4.15, 7.76, 120.90 ppm): 5 chemical-shift based assignments, quality = 0.32, support = 2.71, residual support = 5.54: O HA1 GLY 101 - HN LYS+ 102 20.000% * 98.5568% (0.32 10.0 2.75 5.63) = 98.557% kept HA ALA 34 - HN LYS+ 102 20.000% * 0.8955% (0.14 1.0 0.44 0.02) = 0.895% HA THR 26 - HN LYS+ 102 20.000% * 0.2976% (0.98 1.0 0.02 0.02) = 0.298% HA GLU- 114 - HN LYS+ 102 20.000% * 0.1658% (0.55 1.0 0.02 0.02) = 0.166% HA CYS 53 - HN LYS+ 102 20.000% * 0.0844% (0.28 1.0 0.02 0.02) = 0.084% Peak 750 (3.54, 7.76, 120.90 ppm): 2 chemical-shift based assignments, quality = 0.164, support = 0.02, residual support = 0.239: HD2 PRO 93 - HN LYS+ 102 50.000% * 50.0000% (0.16 0.02 0.02) = 50.000% kept HB2 TRP 27 - HN LYS+ 102 50.000% * 50.0000% (0.16 0.02 0.46) = 50.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 751 (2.01, 7.76, 120.90 ppm): 8 chemical-shift based assignments, quality = 0.615, support = 1.36, residual support = 2.7: HB ILE 19 - HN LYS+ 102 12.500% * 73.1382% (0.55 1.82 3.68) = 73.138% kept QB GLU- 15 - HN LYS+ 102 12.500% * 12.2802% (0.88 0.19 0.02) = 12.280% kept HB2 GLN 17 - HN LYS+ 102 12.500% * 6.2052% (0.88 0.10 0.02) = 6.205% kept HB2 LYS+ 111 - HN LYS+ 102 12.500% * 4.8039% (0.78 0.08 0.02) = 4.804% kept HB3 GLU- 25 - HN LYS+ 102 12.500% * 1.4755% (1.00 0.02 0.02) = 1.475% kept QB GLU- 114 - HN LYS+ 102 12.500% * 0.9841% (0.67 0.02 0.02) = 0.984% HG2 PRO 68 - HN LYS+ 102 12.500% * 0.6338% (0.43 0.02 0.02) = 0.634% HB3 PRO 68 - HN LYS+ 102 12.500% * 0.4790% (0.32 0.02 0.02) = 0.479% Peak 752 (1.81, 7.76, 120.90 ppm): 7 chemical-shift based assignments, quality = 0.933, support = 4.38, residual support = 125.6: O QB LYS+ 102 - HN LYS+ 102 14.286% * 97.2095% (0.96 10.0 4.43 128.82) = 97.210% kept HG12 ILE 103 - HN LYS+ 102 14.286% * 2.4340% (0.16 1.0 2.91 17.31) = 2.434% kept HG2 PRO 93 - HN LYS+ 102 14.286% * 0.0972% (0.96 1.0 0.02 0.02) = 0.097% QB LYS+ 65 - HN LYS+ 102 14.286% * 0.0849% (0.84 1.0 0.02 0.02) = 0.085% HB2 LEU 71 - HN LYS+ 102 14.286% * 0.0796% (0.78 1.0 0.02 0.02) = 0.080% QB LYS+ 66 - HN LYS+ 102 14.286% * 0.0617% (0.61 1.0 0.02 0.02) = 0.062% HB VAL 41 - HN LYS+ 102 14.286% * 0.0330% (0.32 1.0 0.02 0.02) = 0.033% Peak 753 (1.42, 7.76, 120.90 ppm): 9 chemical-shift based assignments, quality = 0.946, support = 1.91, residual support = 2.89: HG12 ILE 19 - HN LYS+ 102 11.111% * 78.4272% (1.00 2.33 3.68) = 78.427% kept HG LEU 80 - HN LYS+ 102 11.111% * 16.2180% (0.98 0.49 0.02) = 16.218% kept HD3 LYS+ 121 - HN LYS+ 102 11.111% * 2.5542% (0.28 0.27 0.02) = 2.554% kept HB3 LYS+ 74 - HN LYS+ 102 11.111% * 0.7098% (0.24 0.09 0.02) = 0.710% QB ALA 110 - HN LYS+ 102 11.111% * 0.6736% (1.00 0.02 0.02) = 0.674% QB ALA 61 - HN LYS+ 102 11.111% * 0.5298% (0.78 0.02 0.02) = 0.530% HB3 LEU 67 - HN LYS+ 102 11.111% * 0.3697% (0.55 0.02 0.02) = 0.370% HB2 LEU 80 - HN LYS+ 102 11.111% * 0.3295% (0.49 0.02 0.02) = 0.330% QG LYS+ 66 - HN LYS+ 102 11.111% * 0.1882% (0.28 0.02 0.02) = 0.188% Peak 754 (0.74, 7.76, 120.90 ppm): 5 chemical-shift based assignments, quality = 0.923, support = 1.68, residual support = 2.66: QD1 ILE 19 - HN LYS+ 102 20.000% * 71.6245% (1.00 2.12 3.68) = 71.624% kept QD2 LEU 104 - HN LYS+ 102 20.000% * 17.6172% (0.88 0.59 0.14) = 17.617% kept QG2 VAL 18 - HN LYS+ 102 20.000% * 10.1061% (0.55 0.55 0.02) = 10.106% kept QG2 THR 46 - HN LYS+ 102 20.000% * 0.4923% (0.73 0.02 0.02) = 0.492% QG1 VAL 43 - HN LYS+ 102 20.000% * 0.1598% (0.24 0.02 0.02) = 0.160% Peak 755 (3.88, 8.62, 127.39 ppm): 4 chemical-shift based assignments, quality = 0.342, support = 4.39, residual support = 20.9: O HA ILE 89 - HN GLN 90 25.000% * 94.9033% (0.32 10.0 4.61 22.03) = 94.903% kept HB THR 118 - HN GLN 90 25.000% * 3.0592% (0.88 1.0 0.24 0.02) = 3.059% kept HB3 SER 37 - HN GLN 90 25.000% * 1.9895% (0.32 1.0 0.42 0.02) = 1.989% kept HB THR 39 - HN GLN 90 25.000% * 0.0481% (0.16 1.0 0.02 0.02) = 0.048% Peak 756 (2.26, 8.62, 127.39 ppm): 8 chemical-shift based assignments, quality = 0.76, support = 4.16, residual support = 61.0: QG GLN 90 - HN GLN 90 12.500% * 85.5031% (0.78 4.80 71.31) = 85.503% kept HG12 ILE 119 - HN GLN 90 12.500% * 6.6837% (0.98 0.30 0.02) = 6.684% kept HG3 MET 92 - HN GLN 90 12.500% * 5.3825% (0.32 0.73 0.29) = 5.382% kept HB2 GLU- 29 - HN GLN 90 12.500% * 1.5086% (0.49 0.14 0.02) = 1.509% kept HB3 PHE 72 - HN GLN 90 12.500% * 0.3038% (0.67 0.02 0.02) = 0.304% QG GLU- 14 - HN GLN 90 12.500% * 0.2487% (0.55 0.02 0.02) = 0.249% HB2 ASP- 44 - HN GLN 90 12.500% * 0.2217% (0.49 0.02 0.02) = 0.222% QG GLU- 15 - HN GLN 90 12.500% * 0.1479% (0.32 0.02 0.02) = 0.148% Peak 758 (1.87, 8.62, 127.39 ppm): 11 chemical-shift based assignments, quality = 0.819, support = 5.24, residual support = 68.9: O HB3 GLN 90 - HN GLN 90 9.091% * 96.5738% (0.84 10.0 5.40 71.31) = 96.574% kept HB ILE 103 - HN GLN 90 9.091% * 2.7947% (0.43 1.0 1.13 0.54) = 2.795% kept QB LYS+ 106 - HN GLN 90 9.091% * 0.1105% (0.96 1.0 0.02 0.02) = 0.111% QB LYS+ 81 - HN GLN 90 9.091% * 0.1067% (0.92 1.0 0.02 0.02) = 0.107% HB ILE 56 - HN GLN 90 9.091% * 0.0840% (0.73 1.0 0.02 0.91) = 0.084% QB LYS+ 33 - HN GLN 90 9.091% * 0.0840% (0.73 1.0 0.02 0.02) = 0.084% HB3 ASP- 105 - HN GLN 90 9.091% * 0.0631% (0.55 1.0 0.02 0.02) = 0.063% HB3 LYS+ 38 - HN GLN 90 9.091% * 0.0563% (0.49 1.0 0.02 0.02) = 0.056% HG2 ARG+ 54 - HN GLN 90 9.091% * 0.0563% (0.49 1.0 0.02 0.02) = 0.056% HG3 PRO 68 - HN GLN 90 9.091% * 0.0434% (0.38 1.0 0.02 0.02) = 0.043% HB3 GLN 30 - HN GLN 90 9.091% * 0.0273% (0.24 1.0 0.02 0.02) = 0.027% Peak 759 (0.64, 8.62, 127.39 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 5.15, residual support = 22.0: QG2 ILE 89 - HN GLN 90 100.000% *100.0000% (0.38 5.15 22.03) = 100.000% kept Peak 760 (0.11, 8.62, 127.39 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 4.7, residual support = 22.0: QD1 ILE 89 - HN GLN 90 100.000% *100.0000% (0.20 4.70 22.03) = 100.000% kept Peak 761 (3.98, 7.91, 118.70 ppm): 7 chemical-shift based assignments, quality = 0.977, support = 2.89, residual support = 2.84: O HA ALA 88 - HN ILE 89 14.286% * 99.6448% (0.98 10.0 2.90 2.85) = 99.645% kept HA GLN 32 - HN ILE 89 14.286% * 0.0972% (0.96 1.0 0.02 0.02) = 0.097% HA SER 48 - HN ILE 89 14.286% * 0.0938% (0.92 1.0 0.02 0.02) = 0.094% HD2 PRO 52 - HN ILE 89 14.286% * 0.0738% (0.73 1.0 0.02 0.02) = 0.074% HB2 SER 82 - HN ILE 89 14.286% * 0.0382% (0.38 1.0 0.02 0.02) = 0.038% HA VAL 18 - HN ILE 89 14.286% * 0.0283% (0.28 1.0 0.02 0.02) = 0.028% HA GLU- 29 - HN ILE 89 14.286% * 0.0240% (0.24 1.0 0.02 0.02) = 0.024% Peak 762 (3.89, 7.91, 118.70 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 0.485, residual support = 0.485: HB THR 118 - HN ILE 89 100.000% *100.0000% (0.49 0.48 0.48) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 763 (1.75, 7.91, 118.70 ppm): 3 chemical-shift based assignments, quality = 0.164, support = 5.3, residual support = 179.5: O HB ILE 89 - HN ILE 89 33.333% * 99.7573% (0.16 10.0 5.31 179.91) = 99.757% kept HB VAL 43 - HN ILE 89 33.333% * 0.1430% (0.24 1.0 0.02 0.02) = 0.143% QD LYS+ 81 - HN ILE 89 33.333% * 0.0998% (0.16 1.0 0.02 0.02) = 0.100% Peak 764 (1.23, 7.91, 118.70 ppm): 6 chemical-shift based assignments, quality = 0.539, support = 4.74, residual support = 159.1: HG12 ILE 89 - HN ILE 89 16.667% * 88.4222% (0.55 5.31 179.91) = 88.422% kept HG3 LYS+ 111 - HN ILE 89 16.667% * 6.7394% (0.43 0.51 0.52) = 6.739% kept HG2 LYS+ 74 - HN ILE 89 16.667% * 3.7262% (0.73 0.17 0.02) = 3.726% kept HG LEU 71 - HN ILE 89 16.667% * 0.4770% (0.78 0.02 0.02) = 0.477% HG3 LYS+ 99 - HN ILE 89 16.667% * 0.4065% (0.67 0.02 0.12) = 0.406% HG13 ILE 19 - HN ILE 89 16.667% * 0.2287% (0.38 0.02 0.02) = 0.229% Peak 765 (0.63, 7.91, 118.70 ppm): 2 chemical-shift based assignments, quality = 0.983, support = 5.62, residual support = 175.9: QG2 ILE 89 - HN ILE 89 50.000% * 97.7896% (1.00 5.73 179.91) = 97.790% kept QG1 VAL 83 - HN ILE 89 50.000% * 2.2104% (0.24 0.55 0.74) = 2.210% kept Peak 766 (-0.07, 7.91, 118.70 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 5.27, residual support = 179.9: HG13 ILE 89 - HN ILE 89 100.000% *100.0000% (0.78 5.27 179.91) = 100.000% kept Peak 768 (3.99, 7.82, 121.71 ppm): 8 chemical-shift based assignments, quality = 0.661, support = 1.28, residual support = 5.43: O HA ALA 88 - HN ALA 88 12.500% * 97.8960% (0.67 10.0 1.31 5.55) = 97.896% kept HA GLN 32 - HN ALA 88 12.500% * 1.2700% (0.61 1.0 0.19 0.02) = 1.270% kept HA SER 48 - HN ALA 88 12.500% * 0.2148% (0.96 1.0 0.02 0.02) = 0.215% HB2 SER 82 - HN ALA 88 12.500% * 0.1759% (0.78 1.0 0.02 0.02) = 0.176% HA VAL 18 - HN ALA 88 12.500% * 0.1498% (0.67 1.0 0.02 0.02) = 0.150% HA GLU- 29 - HN ALA 88 12.500% * 0.1363% (0.61 1.0 0.02 0.02) = 0.136% HA LYS+ 33 - HN ALA 88 12.500% * 0.0843% (0.38 1.0 0.02 0.02) = 0.084% HD2 PRO 52 - HN ALA 88 12.500% * 0.0729% (0.32 1.0 0.02 0.02) = 0.073% Peak 769 (1.33, 7.82, 121.71 ppm): 8 chemical-shift based assignments, quality = 0.507, support = 1.24, residual support = 4.87: O QB ALA 88 - HN ALA 88 12.500% * 86.4240% (0.49 10.0 1.30 5.55) = 86.424% kept HB2 LEU 31 - HN ALA 88 12.500% * 9.8832% (0.67 1.0 1.08 0.73) = 9.883% kept HG2 LYS+ 111 - HN ALA 88 12.500% * 2.5784% (0.78 1.0 0.24 0.02) = 2.578% kept HB3 LEU 80 - HN ALA 88 12.500% * 0.4592% (0.43 1.0 0.08 0.02) = 0.459% HG2 LYS+ 99 - HN ALA 88 12.500% * 0.2732% (1.00 1.0 0.02 0.02) = 0.273% HG2 LYS+ 38 - HN ALA 88 12.500% * 0.2611% (0.96 1.0 0.02 0.02) = 0.261% HB2 LEU 63 - HN ALA 88 12.500% * 0.0760% (0.28 1.0 0.02 0.02) = 0.076% HB3 ASP- 44 - HN ALA 88 12.500% * 0.0449% (0.16 1.0 0.02 0.02) = 0.045% Peak 770 (3.42, 7.69, 117.92 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 3.76, residual support = 62.7: O HB2 TRP 87 - HN TRP 87 50.000% * 99.9230% (0.49 10.0 3.77 62.78) = 99.923% kept HB2 PHE 60 - HN TRP 87 50.000% * 0.0770% (0.38 1.0 0.02 0.98) = 0.077% Peak 771 (2.93, 7.69, 117.92 ppm): 6 chemical-shift based assignments, quality = 0.648, support = 3.22, residual support = 10.0: HB2 ASP- 86 - HN TRP 87 16.667% * 82.1570% (0.61 3.84 12.19) = 82.157% kept HB2 ASN 28 - HN TRP 87 16.667% * 14.7509% (1.00 0.42 0.14) = 14.751% kept HB2 ASN 35 - HN TRP 87 16.667% * 1.5985% (0.16 0.28 0.58) = 1.599% kept QE LYS+ 33 - HN TRP 87 16.667% * 0.6752% (0.96 0.02 0.02) = 0.675% QE LYS+ 65 - HN TRP 87 16.667% * 0.6519% (0.92 0.02 0.02) = 0.652% HB2 ASP- 78 - HN TRP 87 16.667% * 0.1665% (0.24 0.02 0.02) = 0.166% Peak 772 (2.50, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 3.31, residual support = 62.7: O HB3 TRP 87 - HN TRP 87 33.333% * 99.8842% (1.00 10.0 3.31 62.78) = 99.884% kept HG3 GLN 116 - HN TRP 87 33.333% * 0.0960% (0.96 1.0 0.02 0.02) = 0.096% HG2 GLU- 25 - HN TRP 87 33.333% * 0.0199% (0.20 1.0 0.02 0.02) = 0.020% Peak 773 (1.30, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.25, support = 1.98, residual support = 1.89: QB ALA 88 - HN TRP 87 33.333% * 95.9754% (0.24 2.06 1.97) = 95.975% kept QG2 THR 77 - HN TRP 87 33.333% * 3.0930% (0.78 0.02 0.02) = 3.093% kept QG2 THR 23 - HN TRP 87 33.333% * 0.9316% (0.24 0.02 0.02) = 0.932% Peak 774 (0.08, 7.69, 117.92 ppm): 3 chemical-shift based assignments, quality = 0.696, support = 1.45, residual support = 7.6: QD1 ILE 89 - HN TRP 87 33.333% * 53.7033% (0.55 2.12 10.57) = 53.703% kept QG2 VAL 83 - HN TRP 87 33.333% * 33.7775% (0.92 0.79 5.19) = 33.778% kept QD2 LEU 31 - HN TRP 87 33.333% * 12.5192% (0.73 0.37 1.36) = 12.519% kept Peak 775 (0.10, 10.56, 128.74 ppm): 2 chemical-shift based assignments, quality = 0.413, support = 1.04, residual support = 9.34: QD1 ILE 89 - HE1 TRP 87 50.000% * 77.1327% (0.49 1.07 10.57) = 77.133% kept QG2 VAL 83 - HE1 TRP 87 50.000% * 22.8673% (0.16 0.94 5.19) = 22.867% kept Peak 776 (3.97, 8.31, 124.24 ppm): 7 chemical-shift based assignments, quality = 0.635, support = 2.3, residual support = 4.5: QB SER 85 - HN ASP- 86 14.286% * 47.3491% (0.55 3.06 9.08) = 47.349% kept HD2 PRO 52 - HN ASP- 86 14.286% * 42.6469% (0.78 1.92 0.47) = 42.647% kept HA GLN 32 - HN ASP- 86 14.286% * 5.3305% (0.49 0.39 0.02) = 5.331% kept HA ALA 88 - HN ASP- 86 14.286% * 3.8916% (0.43 0.32 0.02) = 3.892% kept HA LYS+ 65 - HN ASP- 86 14.286% * 0.3786% (0.67 0.02 0.02) = 0.379% HA2 GLY 16 - HN ASP- 86 14.286% * 0.3100% (0.55 0.02 0.02) = 0.310% HA SER 48 - HN ASP- 86 14.286% * 0.0934% (0.16 0.02 0.02) = 0.093% Peak 777 (3.82, 8.31, 124.24 ppm): 6 chemical-shift based assignments, quality = 0.605, support = 0.839, residual support = 0.705: HB2 CYS 53 - HN ASP- 86 16.667% * 48.8184% (0.92 0.79 0.58) = 48.818% kept HA GLN 30 - HN ASP- 86 16.667% * 23.5714% (0.32 1.09 0.57) = 23.571% kept HA VAL 83 - HN ASP- 86 16.667% * 17.2437% (0.32 0.80 1.43) = 17.244% kept HD3 PRO 52 - HN ASP- 86 16.667% * 9.4243% (0.24 0.60 0.47) = 9.424% kept HD2 PRO 58 - HN ASP- 86 16.667% * 0.5720% (0.43 0.02 0.02) = 0.572% HA GLU- 100 - HN ASP- 86 16.667% * 0.3702% (0.28 0.02 0.02) = 0.370% Peak 778 (2.93, 8.31, 124.24 ppm): 5 chemical-shift based assignments, quality = 0.947, support = 4.15, residual support = 31.3: O HB2 ASP- 86 - HN ASP- 86 20.000% * 97.5365% (0.96 10.0 4.25 32.07) = 97.537% kept HB2 ASN 28 - HN ASP- 86 20.000% * 1.7985% (0.78 1.0 0.45 0.02) = 1.798% kept QE LYS+ 33 - HN ASP- 86 20.000% * 0.5178% (0.61 1.0 0.17 0.02) = 0.518% QE LYS+ 65 - HN ASP- 86 20.000% * 0.0975% (0.96 1.0 0.02 0.02) = 0.098% HB2 ASN 35 - HN ASP- 86 20.000% * 0.0497% (0.49 1.0 0.02 0.02) = 0.050% Peak 779 (2.46, 8.31, 124.24 ppm): 3 chemical-shift based assignments, quality = 0.704, support = 0.505, residual support = 0.549: HB3 ASP- 62 - HN ASP- 86 33.333% * 49.6067% (0.67 0.55 0.90) = 49.607% kept HG2 GLU- 36 - HN ASP- 86 33.333% * 47.7416% (0.73 0.49 0.21) = 47.742% kept HG3 MET 96 - HN ASP- 86 33.333% * 2.6517% (0.98 0.02 0.02) = 2.652% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 780 (3.97, 8.05, 111.48 ppm): 7 chemical-shift based assignments, quality = 0.56, support = 2.62, residual support = 12.5: O QB SER 85 - HN SER 85 14.286% * 90.2331% (0.55 10.0 2.80 13.85) = 90.233% kept HD2 PRO 52 - HN SER 85 14.286% * 7.1935% (0.78 1.0 1.11 0.15) = 7.193% kept HA GLN 32 - HN SER 85 14.286% * 2.2748% (0.49 1.0 0.57 0.02) = 2.275% kept HA LYS+ 65 - HN SER 85 14.286% * 0.1102% (0.67 1.0 0.02 0.02) = 0.110% HA2 GLY 16 - HN SER 85 14.286% * 0.0902% (0.55 1.0 0.02 0.02) = 0.090% HA ALA 88 - HN SER 85 14.286% * 0.0710% (0.43 1.0 0.02 0.02) = 0.071% HA SER 48 - HN SER 85 14.286% * 0.0272% (0.16 1.0 0.02 0.02) = 0.027% Peak 781 (3.70, 8.05, 111.48 ppm): 5 chemical-shift based assignments, quality = 0.196, support = 3.04, residual support = 13.7: O HA ALA 84 - HN SER 85 20.000% * 99.2298% (0.20 10.0 3.07 13.80) = 99.230% kept HA ILE 119 - HN SER 85 20.000% * 0.2738% (0.55 1.0 0.02 0.02) = 0.274% HB2 TRP 49 - HN SER 85 20.000% * 0.2154% (0.43 1.0 0.02 0.02) = 0.215% HA THR 118 - HN SER 85 20.000% * 0.1628% (0.32 1.0 0.02 0.02) = 0.163% HA VAL 75 - HN SER 85 20.000% * 0.1182% (0.24 1.0 0.02 0.02) = 0.118% Peak 782 (1.36, 8.05, 111.48 ppm): 10 chemical-shift based assignments, quality = 0.956, support = 3.43, residual support = 13.2: QB ALA 84 - HN SER 85 10.000% * 95.5337% (1.00 3.58 13.80) = 95.534% kept HB3 LEU 80 - HN SER 85 10.000% * 2.1697% (0.24 0.34 0.02) = 2.170% kept HB3 PRO 93 - HN SER 85 10.000% * 0.5359% (1.00 0.02 0.02) = 0.536% HG LEU 98 - HN SER 85 10.000% * 0.4947% (0.92 0.02 0.02) = 0.495% QB ALA 124 - HN SER 85 10.000% * 0.4195% (0.78 0.02 0.02) = 0.419% HB3 ASP- 44 - HN SER 85 10.000% * 0.2927% (0.55 0.02 0.02) = 0.293% HB2 LEU 63 - HN SER 85 10.000% * 0.2011% (0.38 0.02 0.02) = 0.201% HG3 LYS+ 106 - HN SER 85 10.000% * 0.1740% (0.32 0.02 0.02) = 0.174% HB2 LYS+ 112 - HN SER 85 10.000% * 0.1061% (0.20 0.02 0.02) = 0.106% HG3 LYS+ 102 - HN SER 85 10.000% * 0.0725% (0.14 0.02 0.02) = 0.073% Peak 783 (3.70, 7.58, 119.96 ppm): 5 chemical-shift based assignments, quality = 0.196, support = 3.28, residual support = 10.1: O HA ALA 84 - HN ALA 84 20.000% * 99.2298% (0.20 10.0 3.30 10.16) = 99.230% kept HA ILE 119 - HN ALA 84 20.000% * 0.2738% (0.55 1.0 0.02 0.02) = 0.274% HB2 TRP 49 - HN ALA 84 20.000% * 0.2154% (0.43 1.0 0.02 0.02) = 0.215% HA THR 118 - HN ALA 84 20.000% * 0.1628% (0.32 1.0 0.02 0.02) = 0.163% HA VAL 75 - HN ALA 84 20.000% * 0.1182% (0.24 1.0 0.02 0.02) = 0.118% Peak 784 (1.66, 7.58, 119.96 ppm): 7 chemical-shift based assignments, quality = 0.956, support = 4.4, residual support = 28.0: HB VAL 83 - HN ALA 84 14.286% * 92.4661% (0.98 4.74 30.25) = 92.466% kept HB2 LYS+ 121 - HN ALA 84 14.286% * 5.4300% (0.88 0.31 0.02) = 5.430% kept HB2 LEU 123 - HN ALA 84 14.286% * 1.0577% (0.20 0.27 0.02) = 1.058% kept QD LYS+ 38 - HN ALA 84 14.286% * 0.3905% (0.98 0.02 0.02) = 0.391% QD LYS+ 65 - HN ALA 84 14.286% * 0.3678% (0.92 0.02 0.02) = 0.368% QD LYS+ 102 - HN ALA 84 14.286% * 0.1939% (0.49 0.02 0.02) = 0.194% HG3 PRO 93 - HN ALA 84 14.286% * 0.0939% (0.24 0.02 0.02) = 0.094% Peak 785 (1.36, 7.58, 119.96 ppm): 12 chemical-shift based assignments, quality = 0.718, support = 3.45, residual support = 9.97: O QB ALA 84 - HN ALA 84 8.333% * 98.1922% (0.73 10.0 3.51 10.16) = 98.192% kept QB ALA 124 - HN ALA 84 8.333% * 1.2185% (0.38 1.0 0.48 0.02) = 1.219% kept HB3 PRO 93 - HN ALA 84 8.333% * 0.1058% (0.78 1.0 0.02 0.02) = 0.106% HG3 LYS+ 106 - HN ALA 84 8.333% * 0.0982% (0.73 1.0 0.02 0.02) = 0.098% HG LEU 98 - HN ALA 84 8.333% * 0.0738% (0.55 1.0 0.02 0.02) = 0.074% HB2 LYS+ 112 - HN ALA 84 8.333% * 0.0738% (0.55 1.0 0.02 0.02) = 0.074% HG3 LYS+ 102 - HN ALA 84 8.333% * 0.0581% (0.43 1.0 0.02 0.02) = 0.058% HB3 LEU 73 - HN ALA 84 8.333% * 0.0508% (0.38 1.0 0.02 0.02) = 0.051% HB VAL 42 - HN ALA 84 8.333% * 0.0376% (0.28 1.0 0.02 0.02) = 0.038% HG3 LYS+ 65 - HN ALA 84 8.333% * 0.0376% (0.28 1.0 0.02 0.02) = 0.038% HB3 ASP- 44 - HN ALA 84 8.333% * 0.0268% (0.20 1.0 0.02 0.02) = 0.027% HG3 LYS+ 33 - HN ALA 84 8.333% * 0.0268% (0.20 1.0 0.02 0.43) = 0.027% Peak 786 (0.60, 7.58, 119.96 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 4.95, residual support = 28.2: QG1 VAL 83 - HN ALA 84 16.667% * 93.1755% (0.43 5.30 30.25) = 93.176% kept QD2 LEU 80 - HN ALA 84 16.667% * 4.7962% (0.88 0.13 0.02) = 4.796% kept QD1 LEU 104 - HN ALA 84 16.667% * 0.8139% (1.00 0.02 0.02) = 0.814% QD2 LEU 115 - HN ALA 84 16.667% * 0.6832% (0.84 0.02 0.02) = 0.683% QD1 LEU 73 - HN ALA 84 16.667% * 0.2656% (0.32 0.02 0.02) = 0.266% QD1 LEU 63 - HN ALA 84 16.667% * 0.2656% (0.32 0.02 0.14) = 0.266% Peak 787 (0.07, 7.58, 119.96 ppm): 3 chemical-shift based assignments, quality = 0.507, support = 5.1, residual support = 28.2: QG2 VAL 83 - HN ALA 84 33.333% * 89.2511% (0.55 5.52 30.25) = 89.251% kept QD1 ILE 89 - HN ALA 84 33.333% * 10.1595% (0.20 1.73 11.71) = 10.160% kept QD2 LEU 31 - HN ALA 84 33.333% * 0.5894% (1.00 0.02 0.02) = 0.589% Peak 788 (4.00, 6.59, 123.60 ppm): 9 chemical-shift based assignments, quality = 0.714, support = 3.24, residual support = 12.1: HB2 SER 82 - HN VAL 83 11.111% * 82.0834% (0.75 3.82 14.65) = 82.083% kept HA LYS+ 33 - HN VAL 83 11.111% * 12.6077% (0.59 0.75 0.21) = 12.608% kept HA VAL 18 - HN VAL 83 11.111% * 2.1346% (0.74 0.10 0.02) = 2.135% kept HA ALA 88 - HN VAL 83 11.111% * 1.1723% (0.21 0.20 0.02) = 1.172% kept HA GLN 32 - HN VAL 83 11.111% * 1.0519% (0.18 0.21 0.02) = 1.052% kept HA GLU- 29 - HN VAL 83 11.111% * 0.4106% (0.72 0.02 0.02) = 0.411% HA SER 48 - HN VAL 83 11.111% * 0.2605% (0.46 0.02 0.02) = 0.261% HA GLN 116 - HN VAL 83 11.111% * 0.1395% (0.25 0.02 0.02) = 0.139% HA VAL 70 - HN VAL 83 11.111% * 0.1395% (0.25 0.02 0.02) = 0.139% Peak 789 (3.82, 6.59, 123.60 ppm): 6 chemical-shift based assignments, quality = 0.32, support = 4.01, residual support = 60.2: O HA VAL 83 - HN VAL 83 16.667% * 80.4038% (0.25 10.0 4.65 74.41) = 80.404% kept HB2 CYS 53 - HN VAL 83 16.667% * 17.1465% (0.70 1.0 1.50 2.19) = 17.147% kept HD3 PRO 52 - HN VAL 83 16.667% * 2.1940% (0.18 1.0 0.75 0.02) = 2.194% kept HD2 PRO 58 - HN VAL 83 16.667% * 0.1064% (0.32 1.0 0.02 0.02) = 0.106% HA GLN 30 - HN VAL 83 16.667% * 0.0804% (0.25 1.0 0.02 0.02) = 0.080% HA GLU- 100 - HN VAL 83 16.667% * 0.0689% (0.21 1.0 0.02 0.02) = 0.069% Peak 790 (1.66, 6.59, 123.60 ppm): 7 chemical-shift based assignments, quality = 0.735, support = 4.69, residual support = 73.9: O HB VAL 83 - HN VAL 83 14.286% * 99.2775% (0.74 10.0 4.72 74.41) = 99.277% kept HB2 LYS+ 121 - HN VAL 83 14.286% * 0.4365% (0.67 1.0 0.10 0.02) = 0.437% QD LYS+ 38 - HN VAL 83 14.286% * 0.0993% (0.74 1.0 0.02 0.02) = 0.099% QD LYS+ 65 - HN VAL 83 14.286% * 0.0935% (0.70 1.0 0.02 0.02) = 0.093% QD LYS+ 102 - HN VAL 83 14.286% * 0.0493% (0.37 1.0 0.02 0.02) = 0.049% HG3 PRO 93 - HN VAL 83 14.286% * 0.0239% (0.18 1.0 0.02 0.02) = 0.024% HB2 LEU 123 - HN VAL 83 14.286% * 0.0200% (0.15 1.0 0.02 0.02) = 0.020% Peak 791 (1.39, 6.59, 123.60 ppm): 9 chemical-shift based assignments, quality = 0.555, support = 0.02, residual support = 0.0481: HG3 LYS+ 33 - HN VAL 83 11.111% * 14.9541% (0.70 0.02 0.21) = 14.954% kept HG3 LYS+ 65 - HN VAL 83 11.111% * 13.5310% (0.63 0.02 0.02) = 13.531% kept HB VAL 42 - HN VAL 83 11.111% * 13.5310% (0.63 0.02 0.02) = 13.531% kept QB ALA 12 - HN VAL 83 11.111% * 13.5310% (0.63 0.02 0.02) = 13.531% kept HB3 LEU 73 - HN VAL 83 11.111% * 11.7633% (0.55 0.02 0.02) = 11.763% kept HG3 LYS+ 102 - HN VAL 83 11.111% * 10.8048% (0.50 0.02 0.02) = 10.805% kept HB2 LYS+ 112 - HN VAL 83 11.111% * 8.8462% (0.41 0.02 0.02) = 8.846% kept QB LEU 98 - HN VAL 83 11.111% * 6.9587% (0.32 0.02 0.02) = 6.959% kept HG3 LYS+ 106 - HN VAL 83 11.111% * 6.0799% (0.28 0.02 0.02) = 6.080% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 792 (0.61, 6.59, 123.60 ppm): 3 chemical-shift based assignments, quality = 0.678, support = 4.75, residual support = 64.9: QG1 VAL 83 - HN VAL 83 33.333% * 87.0972% (0.74 5.29 74.41) = 87.097% kept QG2 ILE 89 - HN VAL 83 33.333% * 7.5784% (0.25 1.39 0.74) = 7.578% kept QD1 LEU 104 - HN VAL 83 33.333% * 5.3244% (0.28 0.84 0.02) = 5.324% kept Peak 793 (0.09, 6.59, 123.60 ppm): 3 chemical-shift based assignments, quality = 0.708, support = 4.22, residual support = 57.1: QG2 VAL 83 - HN VAL 83 33.333% * 76.5321% (0.72 5.09 74.41) = 76.532% kept QD1 ILE 89 - HN VAL 83 33.333% * 21.7362% (0.70 1.50 0.74) = 21.736% kept QD2 LEU 31 - HN VAL 83 33.333% * 1.7318% (0.25 0.34 0.02) = 1.732% kept Peak 794 (4.01, 8.64, 114.33 ppm): 7 chemical-shift based assignments, quality = 0.731, support = 3.81, residual support = 24.0: O HB2 SER 82 - HN SER 82 14.286% * 94.0111% (0.73 10.0 4.01 25.53) = 94.011% kept HA LYS+ 33 - HN SER 82 14.286% * 4.8307% (1.00 1.0 0.75 0.57) = 4.831% kept HA VAL 18 - HN SER 82 14.286% * 0.8156% (0.84 1.0 0.15 0.02) = 0.816% HA GLU- 29 - HN SER 82 14.286% * 0.1143% (0.88 1.0 0.02 0.02) = 0.114% HA VAL 70 - HN SER 82 14.286% * 0.1013% (0.78 1.0 0.02 0.02) = 0.101% HA GLN 116 - HN SER 82 14.286% * 0.1013% (0.78 1.0 0.02 0.02) = 0.101% HA SER 48 - HN SER 82 14.286% * 0.0256% (0.20 1.0 0.02 0.02) = 0.026% Peak 795 (3.87, 8.64, 114.33 ppm): 6 chemical-shift based assignments, quality = 0.459, support = 3.25, residual support = 23.9: O HB3 SER 82 - HN SER 82 16.667% * 93.4960% (0.43 10.0 3.45 25.53) = 93.496% kept HA ILE 89 - HN SER 82 16.667% * 5.7614% (1.00 1.0 0.53 0.02) = 5.761% kept HB3 SER 37 - HN SER 82 16.667% * 0.2177% (1.00 1.0 0.02 0.02) = 0.218% HB THR 39 - HN SER 82 16.667% * 0.2009% (0.92 1.0 0.02 0.02) = 0.201% QB SER 13 - HN SER 82 16.667% * 0.1921% (0.88 1.0 0.02 0.02) = 0.192% HB THR 118 - HN SER 82 16.667% * 0.1320% (0.61 1.0 0.02 0.02) = 0.132% Peak 796 (1.87, 8.64, 114.33 ppm): 11 chemical-shift based assignments, quality = 0.859, support = 3.09, residual support = 7.15: QB LYS+ 81 - HN SER 82 9.091% * 79.9266% (0.92 3.73 8.85) = 79.927% kept QB LYS+ 33 - HN SER 82 9.091% * 12.6271% (0.73 0.75 0.57) = 12.627% kept HB3 GLN 90 - HN SER 82 9.091% * 2.3413% (0.84 0.12 0.02) = 2.341% kept HG2 ARG+ 54 - HN SER 82 9.091% * 2.0458% (0.49 0.18 0.18) = 2.046% kept HB3 ASP- 105 - HN SER 82 9.091% * 0.9908% (0.55 0.08 0.02) = 0.991% HB ILE 103 - HN SER 82 9.091% * 0.7794% (0.43 0.08 0.02) = 0.779% QB LYS+ 106 - HN SER 82 9.091% * 0.4433% (0.96 0.02 0.02) = 0.443% HB ILE 56 - HN SER 82 9.091% * 0.3367% (0.73 0.02 0.02) = 0.337% HB3 LYS+ 38 - HN SER 82 9.091% * 0.2257% (0.49 0.02 0.02) = 0.226% HG3 PRO 68 - HN SER 82 9.091% * 0.1740% (0.38 0.02 0.02) = 0.174% HB3 GLN 30 - HN SER 82 9.091% * 0.1093% (0.24 0.02 0.02) = 0.109% Peak 797 (1.58, 8.64, 114.33 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 0.181, residual support = 0.181: HG3 ARG+ 54 - HN SER 82 100.000% *100.0000% (0.20 0.18 0.18) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 798 (0.61, 8.64, 114.33 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 3.53, residual support = 13.2: QG1 VAL 83 - HN SER 82 25.000% * 89.9767% (0.88 3.84 14.65) = 89.977% kept QD2 LEU 80 - HN SER 82 25.000% * 9.4085% (0.43 0.83 0.02) = 9.409% kept QD1 LEU 104 - HN SER 82 25.000% * 0.4156% (0.78 0.02 0.02) = 0.416% QD2 LEU 115 - HN SER 82 25.000% * 0.1993% (0.38 0.02 0.02) = 0.199% Peak 799 (1.87, 7.29, 121.74 ppm): 11 chemical-shift based assignments, quality = 0.894, support = 4.95, residual support = 65.2: O QB LYS+ 81 - HN LYS+ 81 9.091% * 84.8963% (0.92 10.0 5.20 75.96) = 84.896% kept QB LYS+ 33 - HN LYS+ 81 9.091% * 13.3757% (0.73 1.0 4.01 4.99) = 13.376% kept QB LYS+ 106 - HN LYS+ 81 9.091% * 1.3489% (0.96 1.0 0.31 0.02) = 1.349% kept HB3 GLN 90 - HN LYS+ 81 9.091% * 0.0768% (0.84 1.0 0.02 0.02) = 0.077% HB ILE 56 - HN LYS+ 81 9.091% * 0.0668% (0.73 1.0 0.02 0.02) = 0.067% HB3 ASP- 105 - HN LYS+ 81 9.091% * 0.0502% (0.55 1.0 0.02 0.02) = 0.050% HB3 LYS+ 38 - HN LYS+ 81 9.091% * 0.0448% (0.49 1.0 0.02 0.11) = 0.045% HG2 ARG+ 54 - HN LYS+ 81 9.091% * 0.0448% (0.49 1.0 0.02 0.02) = 0.045% HB ILE 103 - HN LYS+ 81 9.091% * 0.0395% (0.43 1.0 0.02 0.02) = 0.040% HG3 PRO 68 - HN LYS+ 81 9.091% * 0.0345% (0.38 1.0 0.02 0.02) = 0.035% HB3 GLN 30 - HN LYS+ 81 9.091% * 0.0217% (0.24 1.0 0.02 0.02) = 0.022% Peak 800 (1.55, 7.29, 121.74 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 3.25, residual support = 55.7: QG LYS+ 81 - HN LYS+ 81 33.333% * 71.7567% (0.92 4.06 75.96) = 71.757% kept HG2 LYS+ 33 - HN LYS+ 81 33.333% * 23.3380% (0.88 1.38 4.99) = 23.338% kept HG2 LYS+ 106 - HN LYS+ 81 33.333% * 4.9053% (0.84 0.31 0.02) = 4.905% kept Peak 801 (0.58, 7.29, 121.74 ppm): 5 chemical-shift based assignments, quality = 0.634, support = 2.09, residual support = 3.38: QD2 LEU 63 - HN LYS+ 81 20.000% * 27.2889% (0.67 2.13 1.58) = 27.289% kept QD1 LEU 73 - HN LYS+ 81 20.000% * 26.5287% (0.78 1.76 0.86) = 26.529% kept QD1 LEU 63 - HN LYS+ 81 20.000% * 24.3592% (0.78 1.62 1.58) = 24.359% kept QD2 LEU 80 - HN LYS+ 81 20.000% * 16.4570% (0.24 3.63 14.17) = 16.457% kept QD2 LEU 115 - HN LYS+ 81 20.000% * 5.3662% (0.28 1.00 0.02) = 5.366% kept Peak 802 (2.91, 8.02, 121.50 ppm): 4 chemical-shift based assignments, quality = 0.53, support = 3.54, residual support = 12.9: HB2 ASP- 78 - HN GLU- 79 25.000% * 77.2994% (0.58 4.27 16.56) = 77.299% kept HB2 ASN 69 - HN GLU- 79 25.000% * 11.3354% (0.30 1.23 0.46) = 11.335% kept HB2 ASP- 76 - HN GLU- 79 25.000% * 11.2759% (0.41 0.89 0.75) = 11.276% kept QE LYS+ 33 - HN GLU- 79 25.000% * 0.0893% (0.14 0.02 0.19) = 0.089% Peak 804 (2.34, 8.02, 121.50 ppm): 3 chemical-shift based assignments, quality = 0.209, support = 0.101, residual support = 0.02: HG3 GLU- 25 - HN GLU- 79 33.333% * 49.4669% (0.23 0.10 0.02) = 49.467% kept HG2 PRO 52 - HN GLU- 79 33.333% * 33.7844% (0.10 0.15 0.02) = 33.784% kept HB2 PRO 58 - HN GLU- 79 33.333% * 16.7486% (0.37 0.02 0.02) = 16.749% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 805 (2.15, 8.02, 121.50 ppm): 5 chemical-shift based assignments, quality = 0.561, support = 2.64, residual support = 41.7: O HB3 GLU- 79 - HN GLU- 79 20.000% * 99.7149% (0.56 10.0 2.65 41.85) = 99.715% kept QB GLU- 36 - HN GLU- 79 20.000% * 0.1059% (0.60 1.0 0.02 0.02) = 0.106% HB3 GLU- 29 - HN GLU- 79 20.000% * 0.0902% (0.51 1.0 0.02 0.02) = 0.090% HB2 GLN 90 - HN GLU- 79 20.000% * 0.0590% (0.33 1.0 0.02 0.02) = 0.059% HG3 GLU- 29 - HN GLU- 79 20.000% * 0.0300% (0.17 1.0 0.02 0.02) = 0.030% Peak 819 (2.79, 8.52, 119.25 ppm): 4 chemical-shift based assignments, quality = 0.346, support = 3.09, residual support = 28.9: O HB3 ASP- 78 - HN ASP- 78 25.000% * 79.8423% (0.20 10.0 3.62 35.95) = 79.842% kept QE LYS+ 74 - HN ASP- 78 25.000% * 19.6339% (0.96 1.0 1.02 0.86) = 19.634% kept QB CYS 50 - HN ASP- 78 25.000% * 0.3724% (0.92 1.0 0.02 0.02) = 0.372% HB3 ASN 69 - HN ASP- 78 25.000% * 0.1514% (0.38 1.0 0.02 0.02) = 0.151% Peak 820 (2.91, 8.52, 119.25 ppm): 4 chemical-shift based assignments, quality = 0.909, support = 5.03, residual support = 31.2: O HB2 ASP- 78 - HN ASP- 78 25.000% * 84.5244% (0.96 10.0 5.14 35.95) = 84.524% kept HB2 ASP- 76 - HN ASP- 78 25.000% * 14.1335% (0.67 1.0 4.79 5.91) = 14.133% kept HB2 ASN 69 - HN ASP- 78 25.000% * 1.3213% (0.49 1.0 0.61 0.02) = 1.321% kept QE LYS+ 33 - HN ASP- 78 25.000% * 0.0208% (0.24 1.0 0.02 0.02) = 0.021% Peak 821 (3.59, 8.52, 119.25 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 3.77, residual support = 18.2: O HA THR 77 - HN ASP- 78 100.000% *100.0000% (0.84 10.0 3.77 18.18) = 100.000% kept Peak 822 (5.01, 8.52, 119.25 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 2.79, residual support = 5.91: HA ASP- 76 - HN ASP- 78 100.000% *100.0000% (0.88 2.79 5.91) = 100.000% kept Peak 823 (3.58, 9.27, 119.07 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 3.98, residual support = 30.2: O HA THR 77 - HN THR 77 33.333% * 99.9419% (0.96 10.0 3.98 30.21) = 99.942% kept HD2 PRO 93 - HN THR 77 33.333% * 0.0291% (0.28 1.0 0.02 0.02) = 0.029% HB2 TRP 27 - HN THR 77 33.333% * 0.0291% (0.28 1.0 0.02 0.02) = 0.029% Peak 824 (2.90, 9.27, 119.07 ppm): 3 chemical-shift based assignments, quality = 0.846, support = 3.16, residual support = 11.2: HB2 ASP- 76 - HN THR 77 33.333% * 67.3039% (1.00 3.30 7.84) = 67.304% kept HB2 ASP- 78 - HN THR 77 33.333% * 32.3182% (0.55 2.89 18.18) = 32.318% kept HB2 ASN 69 - HN THR 77 33.333% * 0.3779% (0.92 0.02 0.02) = 0.378% Peak 825 (2.24, 9.27, 119.07 ppm): 6 chemical-shift based assignments, quality = 0.392, support = 2.07, residual support = 5.23: HB3 ASP- 76 - HN THR 77 16.667% * 65.9060% (0.28 2.96 7.84) = 65.906% kept HG2 GLU- 100 - HN THR 77 16.667% * 12.4559% (0.20 0.79 0.44) = 12.456% kept HB2 GLU- 29 - HN THR 77 16.667% * 8.8799% (0.96 0.12 0.02) = 8.880% kept HG3 MET 92 - HN THR 77 16.667% * 8.5211% (1.00 0.11 0.02) = 8.521% kept HG12 ILE 119 - HN THR 77 16.667% * 3.2667% (0.43 0.10 0.02) = 3.267% kept HB2 ASP- 105 - HN THR 77 16.667% * 0.9705% (0.61 0.02 0.02) = 0.970% Peak 826 (1.32, 9.27, 119.07 ppm): 6 chemical-shift based assignments, quality = 0.545, support = 1.86, residual support = 13.1: QG2 THR 77 - HN THR 77 16.667% * 43.2954% (0.32 3.38 30.21) = 43.295% kept HG2 LYS+ 99 - HN THR 77 16.667% * 22.5558% (0.78 0.73 0.11) = 22.556% kept HG2 LYS+ 38 - HN THR 77 16.667% * 18.8075% (0.92 0.52 0.02) = 18.808% kept HG2 LYS+ 111 - HN THR 77 16.667% * 14.4247% (0.38 0.97 0.11) = 14.425% kept QB ALA 88 - HN THR 77 16.667% * 0.6970% (0.88 0.02 0.02) = 0.697% HB2 LEU 31 - HN THR 77 16.667% * 0.2196% (0.28 0.02 0.02) = 0.220% Peak 827 (0.38, 9.27, 119.07 ppm): 3 chemical-shift based assignments, quality = 0.679, support = 1.78, residual support = 1.25: QB ALA 47 - HN THR 77 33.333% * 56.3926% (0.78 1.94 1.33) = 56.393% kept QG1 VAL 42 - HN THR 77 33.333% * 37.5450% (0.61 1.67 1.33) = 37.545% kept HG2 LYS+ 112 - HN THR 77 33.333% * 6.0624% (0.16 0.99 0.02) = 6.062% kept Peak 828 (3.72, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 4.33, residual support = 70.9: O HA VAL 75 - HN VAL 75 50.000% * 99.8965% (0.92 10.0 4.33 70.97) = 99.897% kept HD3 PRO 58 - HN VAL 75 50.000% * 0.1035% (0.96 1.0 0.02 0.02) = 0.103% Peak 829 (2.28, 8.53, 128.95 ppm): 6 chemical-shift based assignments, quality = 0.638, support = 0.548, residual support = 1.63: HB2 ASP- 44 - HN VAL 75 16.667% * 59.5084% (0.73 0.69 0.48) = 59.508% kept QG GLN 90 - HN VAL 75 16.667% * 24.7853% (0.43 0.49 0.02) = 24.785% kept HB3 PHE 72 - HN VAL 75 16.667% * 10.1682% (0.55 0.16 13.18) = 10.168% kept QG GLU- 15 - HN VAL 75 16.667% * 2.0956% (0.88 0.02 0.02) = 2.096% kept QB MET 11 - HN VAL 75 16.667% * 1.8587% (0.78 0.02 0.02) = 1.859% kept QG GLU- 14 - HN VAL 75 16.667% * 1.5838% (0.67 0.02 0.02) = 1.584% kept Peak 830 (1.43, 8.53, 128.95 ppm): 8 chemical-shift based assignments, quality = 0.635, support = 0.45, residual support = 0.193: HG LEU 73 - HN VAL 75 12.500% * 63.3980% (0.55 0.67 0.29) = 63.398% kept HB3 LEU 67 - HN VAL 75 12.500% * 13.8792% (1.00 0.08 0.02) = 13.879% kept HG12 ILE 19 - HN VAL 75 12.500% * 10.3993% (0.55 0.11 0.02) = 10.399% kept QB ALA 61 - HN VAL 75 12.500% * 3.3096% (0.96 0.02 0.02) = 3.310% kept QG LYS+ 66 - HN VAL 75 12.500% * 2.8916% (0.84 0.02 0.02) = 2.892% kept HG LEU 80 - HN VAL 75 12.500% * 2.5139% (0.73 0.02 0.02) = 2.514% kept QB ALA 110 - HN VAL 75 12.500% * 2.3090% (0.67 0.02 0.02) = 2.309% kept HG2 LYS+ 102 - HN VAL 75 12.500% * 1.2993% (0.38 0.02 0.02) = 1.299% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 831 (1.26, 8.53, 128.95 ppm): 8 chemical-shift based assignments, quality = 0.354, support = 3.68, residual support = 9.91: HG2 LYS+ 74 - HN VAL 75 12.500% * 70.8380% (0.16 5.12 13.99) = 70.838% kept QB ALA 91 - HN VAL 75 12.500% * 19.7457% (0.92 0.25 0.02) = 19.746% kept HG13 ILE 19 - HN VAL 75 12.500% * 3.9763% (0.43 0.11 0.02) = 3.976% kept HG3 LYS+ 38 - HN VAL 75 12.500% * 1.6087% (0.96 0.02 0.02) = 1.609% kept QG2 THR 39 - HN VAL 75 12.500% * 1.5534% (0.92 0.02 0.02) = 1.553% kept QG2 ILE 56 - HN VAL 75 12.500% * 1.2219% (0.73 0.02 0.02) = 1.222% kept QB ALA 34 - HN VAL 75 12.500% * 0.7228% (0.43 0.02 0.02) = 0.723% HG3 LYS+ 99 - HN VAL 75 12.500% * 0.3330% (0.20 0.02 0.02) = 0.333% Peak 832 (1.00, 8.53, 128.95 ppm): 5 chemical-shift based assignments, quality = 0.839, support = 3.96, residual support = 67.4: O HB VAL 75 - HN VAL 75 20.000% * 93.7588% (0.88 10.0 3.87 70.97) = 93.759% kept HG3 LYS+ 74 - HN VAL 75 20.000% * 5.9403% (0.20 1.0 5.65 13.99) = 5.940% kept QD1 LEU 67 - HN VAL 75 20.000% * 0.2084% (0.49 1.0 0.08 0.02) = 0.208% QD2 LEU 40 - HN VAL 75 20.000% * 0.0580% (0.55 1.0 0.02 0.02) = 0.058% QG2 ILE 103 - HN VAL 75 20.000% * 0.0345% (0.32 1.0 0.02 0.02) = 0.034% Peak 833 (0.76, 8.53, 128.95 ppm): 5 chemical-shift based assignments, quality = 0.878, support = 0.161, residual support = 0.0438: QG1 VAL 43 - HN VAL 75 20.000% * 79.7641% (0.92 0.20 0.02) = 79.764% kept QG1 VAL 41 - HN VAL 75 20.000% * 8.7197% (1.00 0.02 0.02) = 8.720% kept QG2 VAL 18 - HN VAL 75 20.000% * 5.3153% (0.61 0.02 0.02) = 5.315% kept QG2 THR 46 - HN VAL 75 20.000% * 3.7644% (0.43 0.02 0.65) = 3.764% kept HG LEU 31 - HN VAL 75 20.000% * 2.4366% (0.28 0.02 0.02) = 2.437% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 834 (0.45, 8.53, 128.95 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 4.18, residual support = 70.7: QG1 VAL 75 - HN VAL 75 50.000% * 99.6892% (0.84 4.19 70.97) = 99.689% kept QD1 LEU 115 - HN VAL 75 50.000% * 0.3108% (0.55 0.02 0.02) = 0.311% Peak 835 (0.11, 8.53, 128.95 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 4.2, residual support = 71.0: QG2 VAL 75 - HN VAL 75 100.000% *100.0000% (0.20 4.20 70.97) = 100.000% kept Peak 836 (1.41, 8.48, 121.30 ppm): 8 chemical-shift based assignments, quality = 0.694, support = 3.47, residual support = 145.0: O HB3 LYS+ 74 - HN LYS+ 74 12.500% * 94.8825% (0.71 10.0 3.61 152.81) = 94.883% kept HD3 LYS+ 121 - HN LYS+ 74 12.500% * 2.9078% (0.71 1.0 0.61 0.02) = 2.908% kept HG12 ILE 19 - HN LYS+ 74 12.500% * 1.9801% (0.23 1.0 1.28 2.70) = 1.980% kept HB2 LEU 80 - HN LYS+ 74 12.500% * 0.0880% (0.65 1.0 0.02 0.02) = 0.088% QB LEU 98 - HN LYS+ 74 12.500% * 0.0692% (0.51 1.0 0.02 0.02) = 0.069% QB ALA 12 - HN LYS+ 74 12.500% * 0.0310% (0.23 1.0 0.02 0.02) = 0.031% QB ALA 110 - HN LYS+ 74 12.500% * 0.0225% (0.17 1.0 0.02 0.02) = 0.022% HG LEU 80 - HN LYS+ 74 12.500% * 0.0189% (0.14 1.0 0.02 0.02) = 0.019% Peak 837 (0.80, 8.48, 121.30 ppm): 3 chemical-shift based assignments, quality = 0.375, support = 0.464, residual support = 0.323: QD2 LEU 123 - HN LYS+ 74 33.333% * 57.1775% (0.20 0.72 0.55) = 57.177% kept HG3 LYS+ 121 - HN LYS+ 74 33.333% * 36.1958% (0.69 0.13 0.02) = 36.196% kept QD1 ILE 56 - HN LYS+ 74 33.333% * 6.6267% (0.17 0.10 0.02) = 6.627% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 838 (1.70, 8.48, 121.30 ppm): 7 chemical-shift based assignments, quality = 0.508, support = 3.06, residual support = 12.1: HB2 LEU 73 - HN LYS+ 74 14.286% * 80.1894% (0.55 3.62 15.04) = 80.189% kept HB3 MET 92 - HN LYS+ 74 14.286% * 14.6232% (0.39 0.95 0.58) = 14.623% kept QG1 ILE 56 - HN LYS+ 74 14.286% * 3.4859% (0.20 0.44 0.02) = 3.486% kept QD LYS+ 99 - HN LYS+ 74 14.286% * 0.5625% (0.71 0.02 0.02) = 0.562% QD LYS+ 106 - HN LYS+ 74 14.286% * 0.5541% (0.69 0.02 0.02) = 0.554% HB3 LYS+ 99 - HN LYS+ 74 14.286% * 0.3727% (0.12 0.08 0.02) = 0.373% HD2 LYS+ 111 - HN LYS+ 74 14.286% * 0.2122% (0.27 0.02 0.02) = 0.212% Peak 839 (1.82, 8.48, 121.30 ppm): 7 chemical-shift based assignments, quality = 0.481, support = 0.452, residual support = 0.229: HG LEU 123 - HN LYS+ 74 14.286% * 39.4638% (0.34 0.80 0.55) = 39.464% kept HB VAL 41 - HN LYS+ 74 14.286% * 25.6842% (0.71 0.25 0.02) = 25.684% kept HG2 PRO 93 - HN LYS+ 74 14.286% * 16.3715% (0.39 0.30 0.02) = 16.371% kept HG12 ILE 103 - HN LYS+ 74 14.286% * 13.4742% (0.63 0.15 0.02) = 13.474% kept QB LYS+ 102 - HN LYS+ 74 14.286% * 2.1448% (0.17 0.09 0.02) = 2.145% kept QB LYS+ 66 - HN LYS+ 74 14.286% * 1.8736% (0.65 0.02 0.02) = 1.874% kept HB3 PRO 52 - HN LYS+ 74 14.286% * 0.9879% (0.34 0.02 0.02) = 0.988% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 840 (2.28, 8.95, 120.59 ppm): 6 chemical-shift based assignments, quality = 0.564, support = 3.71, residual support = 22.9: HB3 PHE 72 - HN LEU 73 16.667% * 81.2862% (0.55 4.46 28.12) = 81.286% kept HB2 ASP- 44 - HN LEU 73 16.667% * 13.5874% (0.73 0.56 0.19) = 13.587% kept QG GLN 90 - HN LEU 73 16.667% * 2.2474% (0.43 0.16 0.02) = 2.247% kept QG GLU- 14 - HN LEU 73 16.667% * 1.7685% (0.67 0.08 0.02) = 1.769% kept QG GLU- 15 - HN LEU 73 16.667% * 0.5885% (0.88 0.02 0.02) = 0.589% QB MET 11 - HN LEU 73 16.667% * 0.5220% (0.78 0.02 0.38) = 0.522% Peak 841 (1.69, 8.95, 120.59 ppm): 8 chemical-shift based assignments, quality = 0.976, support = 6.08, residual support = 112.1: O HB2 LEU 73 - HN LEU 73 12.500% * 99.5444% (0.98 10.0 6.11 112.60) = 99.544% kept HB3 MET 92 - HN LEU 73 12.500% * 0.0995% (0.98 1.0 0.02 0.02) = 0.100% HD2 LYS+ 111 - HN LEU 73 12.500% * 0.0896% (0.88 1.0 0.02 0.11) = 0.090% QD LYS+ 106 - HN LEU 73 12.500% * 0.0795% (0.78 1.0 0.02 5.68) = 0.079% QD LYS+ 99 - HN LEU 73 12.500% * 0.0737% (0.73 1.0 0.02 0.02) = 0.074% HB2 LEU 123 - HN LEU 73 12.500% * 0.0494% (0.49 1.0 0.02 0.02) = 0.049% HG3 PRO 93 - HN LEU 73 12.500% * 0.0436% (0.43 1.0 0.02 0.02) = 0.044% QD LYS+ 102 - HN LEU 73 12.500% * 0.0201% (0.20 1.0 0.02 0.02) = 0.020% Peak 842 (1.40, 8.95, 120.59 ppm): 8 chemical-shift based assignments, quality = 0.611, support = 2.78, residual support = 11.1: HB3 LYS+ 74 - HN LEU 73 12.500% * 72.8906% (0.73 3.30 15.04) = 72.891% kept HB VAL 42 - HN LEU 73 12.500% * 14.0746% (0.20 2.34 1.06) = 14.075% kept HB2 LEU 80 - HN LEU 73 12.500% * 7.5435% (0.43 0.58 0.11) = 7.543% kept HG3 LYS+ 65 - HN LEU 73 12.500% * 2.2867% (0.20 0.38 0.02) = 2.287% kept QB ALA 12 - HN LEU 73 12.500% * 2.0229% (0.84 0.08 0.02) = 2.023% kept QB LEU 98 - HN LEU 73 12.500% * 0.6061% (1.00 0.02 0.02) = 0.606% HD3 LYS+ 121 - HN LEU 73 12.500% * 0.4063% (0.67 0.02 0.02) = 0.406% HG3 LYS+ 33 - HN LEU 73 12.500% * 0.1694% (0.28 0.02 0.02) = 0.169% Peak 843 (0.78, 8.95, 120.59 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 5.44, residual support = 82.6: QD2 LEU 73 - HN LEU 73 25.000% * 73.2164% (0.96 6.84 112.60) = 73.216% kept HG LEU 31 - HN LEU 73 25.000% * 21.1863% (1.00 1.90 0.85) = 21.186% kept QD1 ILE 56 - HN LEU 73 25.000% * 4.6120% (0.61 0.68 0.36) = 4.612% kept QG1 VAL 41 - HN LEU 73 25.000% * 0.9853% (0.28 0.32 0.02) = 0.985% Peak 844 (0.57, 8.95, 120.59 ppm): 6 chemical-shift based assignments, quality = 0.485, support = 3.94, residual support = 60.9: QD1 LEU 73 - HN LEU 73 16.667% * 51.3754% (0.28 6.40 112.60) = 51.375% kept QD2 LEU 63 - HN LEU 73 16.667% * 28.5120% (1.00 0.99 6.67) = 28.512% kept QD1 LEU 63 - HN LEU 73 16.667% * 16.9871% (0.28 2.12 6.67) = 16.987% kept QG2 VAL 41 - HN LEU 73 16.667% * 2.9691% (0.32 0.32 0.02) = 2.969% kept QD2 LEU 98 - HN LEU 73 16.667% * 0.0782% (0.14 0.02 0.02) = 0.078% QD1 LEU 80 - HN LEU 73 16.667% * 0.0782% (0.14 0.02 0.11) = 0.078% Peak 845 (0.39, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.456, support = 2.55, residual support = 3.22: QB ALA 64 - HN LEU 73 33.333% * 90.6773% (0.49 2.74 3.45) = 90.677% kept QG1 VAL 42 - HN LEU 73 33.333% * 8.9441% (0.16 0.80 1.06) = 8.944% kept QB ALA 47 - HN LEU 73 33.333% * 0.3786% (0.28 0.02 0.02) = 0.379% Peak 846 (0.07, 8.95, 120.59 ppm): 3 chemical-shift based assignments, quality = 0.901, support = 0.458, residual support = 0.695: QD2 LEU 31 - HN LEU 73 33.333% * 81.1340% (1.00 0.51 0.85) = 81.134% kept QG2 VAL 83 - HN LEU 73 33.333% * 18.3433% (0.49 0.24 0.02) = 18.343% kept QD1 ILE 89 - HN LEU 73 33.333% * 0.5227% (0.16 0.02 0.02) = 0.523% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 847 (2.84, 9.36, 127.59 ppm): 2 chemical-shift based assignments, quality = 0.473, support = 3.93, residual support = 64.1: O HB2 PHE 72 - HN PHE 72 50.000% * 65.4676% (0.24 10.0 4.58 77.18) = 65.468% kept HA ALA 64 - HN PHE 72 50.000% * 34.5324% (0.92 1.0 2.69 39.30) = 34.532% kept Peak 848 (2.28, 9.36, 127.59 ppm): 6 chemical-shift based assignments, quality = 0.54, support = 4.81, residual support = 76.3: O HB3 PHE 72 - HN PHE 72 16.667% * 98.8817% (0.55 10.0 4.86 77.18) = 98.882% kept HB2 ASP- 44 - HN PHE 72 16.667% * 0.6182% (0.73 1.0 0.09 0.02) = 0.618% QG GLU- 15 - HN PHE 72 16.667% * 0.1598% (0.88 1.0 0.02 0.02) = 0.160% QB MET 11 - HN PHE 72 16.667% * 0.1417% (0.78 1.0 0.02 0.02) = 0.142% QG GLU- 14 - HN PHE 72 16.667% * 0.1208% (0.67 1.0 0.02 0.02) = 0.121% QG GLN 90 - HN PHE 72 16.667% * 0.0778% (0.43 1.0 0.02 0.02) = 0.078% Peak 849 (1.24, 9.36, 127.59 ppm): 6 chemical-shift based assignments, quality = 0.971, support = 3.62, residual support = 16.4: HG LEU 71 - HN PHE 72 16.667% * 93.0784% (0.98 3.88 17.54) = 93.078% kept HG2 LYS+ 74 - HN PHE 72 16.667% * 4.4162% (1.00 0.18 1.67) = 4.416% kept HG13 ILE 19 - HN PHE 72 16.667% * 1.6495% (0.88 0.08 0.96) = 1.649% kept HG3 LYS+ 99 - HN PHE 72 16.667% * 0.4889% (1.00 0.02 0.02) = 0.489% QB ALA 91 - HN PHE 72 16.667% * 0.1835% (0.38 0.02 0.02) = 0.183% QG2 THR 39 - HN PHE 72 16.667% * 0.1835% (0.38 0.02 0.02) = 0.183% Peak 850 (0.96, 9.36, 127.59 ppm): 4 chemical-shift based assignments, quality = 0.921, support = 4.51, residual support = 15.3: QD2 LEU 71 - HN PHE 72 25.000% * 87.0748% (0.92 5.09 17.54) = 87.075% kept QD1 ILE 103 - HN PHE 72 25.000% * 11.7905% (1.00 0.64 0.30) = 11.790% kept HG3 LYS+ 74 - HN PHE 72 25.000% * 0.7928% (0.24 0.18 1.67) = 0.793% QG2 ILE 119 - HN PHE 72 25.000% * 0.3419% (0.92 0.02 1.75) = 0.342% Peak 851 (4.02, 9.36, 127.59 ppm): 5 chemical-shift based assignments, quality = 0.628, support = 2.07, residual support = 20.0: HA VAL 70 - HN PHE 72 20.000% * 57.5045% (0.61 2.88 34.28) = 57.504% kept HA GLN 116 - HN PHE 72 20.000% * 22.4276% (0.61 1.12 1.00) = 22.428% kept HB2 SER 37 - HN PHE 72 20.000% * 19.7825% (0.73 0.83 0.52) = 19.783% kept HA1 GLY 16 - HN PHE 72 20.000% * 0.1551% (0.24 0.02 0.02) = 0.155% HA LYS+ 33 - HN PHE 72 20.000% * 0.1302% (0.20 0.02 0.02) = 0.130% Peak 852 (2.20, 8.15, 128.27 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 4.71, residual support = 26.8: HB VAL 70 - HN LEU 71 25.000% * 74.5578% (0.96 5.93 35.72) = 74.558% kept HB2 GLU- 25 - HN LEU 71 25.000% * 18.4875% (0.98 1.43 1.02) = 18.487% kept QG GLN 17 - HN LEU 71 25.000% * 5.3519% (1.00 0.41 0.02) = 5.352% kept HB2 MET 96 - HN LEU 71 25.000% * 1.6028% (0.38 0.32 0.62) = 1.603% kept Peak 853 (1.81, 8.15, 128.27 ppm): 7 chemical-shift based assignments, quality = 0.952, support = 6.02, residual support = 131.9: O HB2 LEU 71 - HN LEU 71 14.286% * 99.6318% (0.96 10.0 6.04 132.43) = 99.632% kept QB LYS+ 102 - HN LEU 71 14.286% * 0.1037% (1.00 1.0 0.02 0.02) = 0.104% QB LYS+ 65 - HN LEU 71 14.286% * 0.1022% (0.98 1.0 0.02 0.02) = 0.102% HG2 PRO 93 - HN LEU 71 14.286% * 0.0816% (0.78 1.0 0.02 0.02) = 0.082% QB LYS+ 66 - HN LEU 71 14.286% * 0.0391% (0.38 1.0 0.02 0.02) = 0.039% HB3 GLN 17 - HN LEU 71 14.286% * 0.0246% (0.24 1.0 0.02 0.02) = 0.025% HB VAL 41 - HN LEU 71 14.286% * 0.0171% (0.16 1.0 0.02 1.29) = 0.017% Peak 855 (1.24, 8.15, 128.27 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 5.06, residual support = 115.6: HG LEU 71 - HN LEU 71 16.667% * 87.0045% (0.98 5.72 132.43) = 87.005% kept HG13 ILE 19 - HN LEU 71 16.667% * 10.8335% (0.88 0.79 2.91) = 10.833% kept HG2 LYS+ 74 - HN LEU 71 16.667% * 1.6183% (1.00 0.10 2.00) = 1.618% kept HG3 LYS+ 99 - HN LEU 71 16.667% * 0.3106% (1.00 0.02 0.02) = 0.311% QB ALA 91 - HN LEU 71 16.667% * 0.1166% (0.38 0.02 0.02) = 0.117% QG2 THR 39 - HN LEU 71 16.667% * 0.1166% (0.38 0.02 0.02) = 0.117% Peak 856 (0.86, 8.15, 128.27 ppm): 6 chemical-shift based assignments, quality = 0.821, support = 5.33, residual support = 71.9: QG1 VAL 70 - HN LEU 71 16.667% * 49.4610% (0.96 5.38 35.72) = 49.461% kept QD1 LEU 71 - HN LEU 71 16.667% * 40.9289% (0.67 6.38 132.43) = 40.929% kept QG1 VAL 18 - HN LEU 71 16.667% * 6.6110% (1.00 0.69 0.02) = 6.611% kept HB3 LEU 63 - HN LEU 71 16.667% * 2.0880% (0.43 0.51 0.02) = 2.088% kept QD1 LEU 123 - HN LEU 71 16.667% * 0.8730% (0.67 0.14 0.02) = 0.873% HB3 LEU 104 - HN LEU 71 16.667% * 0.0381% (0.20 0.02 0.02) = 0.038% Peak 857 (0.19, 8.15, 128.27 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 6.15, residual support = 35.7: QG2 VAL 70 - HN LEU 71 100.000% *100.0000% (0.49 6.15 35.72) = 100.000% kept Peak 858 (2.19, 7.98, 124.64 ppm): 4 chemical-shift based assignments, quality = 0.54, support = 3.74, residual support = 60.4: O HB VAL 70 - HN VAL 70 25.000% * 97.8623% (0.55 10.0 3.81 61.72) = 97.862% kept HB2 LYS+ 38 - HN VAL 70 25.000% * 1.8685% (0.28 1.0 0.75 0.02) = 1.869% kept HB2 GLU- 25 - HN VAL 70 25.000% * 0.1497% (0.84 1.0 0.02 0.02) = 0.150% QG GLN 17 - HN VAL 70 25.000% * 0.1195% (0.67 1.0 0.02 1.63) = 0.120% Peak 859 (1.44, 7.98, 124.64 ppm): 10 chemical-shift based assignments, quality = 0.671, support = 0.45, residual support = 4.06: HB3 LEU 67 - HN VAL 70 10.000% * 27.6150% (0.73 0.53 0.02) = 27.615% kept HG LEU 73 - HN VAL 70 10.000% * 24.8643% (0.98 0.35 1.57) = 24.864% kept HG LEU 40 - HN VAL 70 10.000% * 17.5301% (0.32 0.75 20.88) = 17.530% kept QG LYS+ 66 - HN VAL 70 10.000% * 12.6224% (0.96 0.18 0.02) = 12.622% kept HG LEU 67 - HN VAL 70 10.000% * 7.4952% (0.20 0.53 0.02) = 7.495% kept HB3 LEU 115 - HN VAL 70 10.000% * 7.2771% (0.32 0.31 0.02) = 7.277% kept HG2 LYS+ 102 - HN VAL 70 10.000% * 1.2707% (0.88 0.02 0.02) = 1.271% kept QB ALA 61 - HN VAL 70 10.000% * 0.7009% (0.49 0.02 0.02) = 0.701% HG LEU 80 - HN VAL 70 10.000% * 0.3395% (0.24 0.02 0.02) = 0.339% QB ALA 110 - HN VAL 70 10.000% * 0.2850% (0.20 0.02 0.02) = 0.285% Peak 860 (0.86, 7.98, 124.64 ppm): 5 chemical-shift based assignments, quality = 0.89, support = 3.86, residual support = 46.6: QG1 VAL 70 - HN VAL 70 20.000% * 50.9847% (0.84 4.77 61.72) = 50.985% kept QD1 LEU 71 - HN VAL 70 20.000% * 42.0154% (1.00 3.28 35.72) = 42.015% kept QG1 VAL 18 - HN VAL 70 20.000% * 6.5730% (0.67 0.77 2.03) = 6.573% kept QD1 LEU 123 - HN VAL 70 20.000% * 0.2561% (1.00 0.02 0.02) = 0.256% HB3 LEU 104 - HN VAL 70 20.000% * 0.1708% (0.67 0.02 0.02) = 0.171% Peak 861 (0.18, 7.98, 124.64 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.99, residual support = 61.7: QG2 VAL 70 - HN VAL 70 100.000% *100.0000% (0.96 3.99 61.72) = 100.000% kept Peak 862 (2.90, 6.66, 113.30 ppm): 3 chemical-shift based assignments, quality = 0.536, support = 2.9, residual support = 46.9: O HB2 ASN 69 - HD22 ASN 69 33.333% * 99.8447% (0.54 10.0 2.91 47.01) = 99.845% kept HB2 ASP- 76 - HD22 ASN 69 33.333% * 0.1044% (0.56 1.0 0.02 0.02) = 0.104% HB2 ASP- 78 - HD22 ASN 69 33.333% * 0.0508% (0.27 1.0 0.02 0.02) = 0.051% Peak 863 (0.86, 6.66, 113.30 ppm): 6 chemical-shift based assignments, quality = 0.53, support = 2.18, residual support = 9.96: QG1 VAL 70 - HD22 ASN 69 16.667% * 70.2355% (0.56 2.86 13.99) = 70.236% kept QG1 VAL 18 - HD22 ASN 69 16.667% * 16.4377% (0.52 0.72 0.75) = 16.438% kept QD1 LEU 71 - HD22 ASN 69 16.667% * 9.8177% (0.50 0.45 0.10) = 9.818% kept HB3 LEU 63 - HD22 ASN 69 16.667% * 2.8879% (0.13 0.50 0.02) = 2.888% kept QD1 LEU 123 - HD22 ASN 69 16.667% * 0.4359% (0.50 0.02 0.02) = 0.436% HB3 LEU 104 - HD22 ASN 69 16.667% * 0.1854% (0.21 0.02 0.02) = 0.185% Peak 864 (4.99, 8.82, 114.58 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 2.81, residual support = 2.81: HA LEU 67 - HN ASN 69 100.000% *100.0000% (0.84 2.81 2.81) = 100.000% kept Peak 865 (3.74, 8.82, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.602, support = 5.27, residual support = 15.9: HD2 PRO 68 - HN ASN 69 33.333% * 99.2247% (0.61 5.31 16.04) = 99.225% kept HA ALA 61 - HN ASN 69 33.333% * 0.5440% (0.88 0.02 0.02) = 0.544% HD3 PRO 58 - HN ASN 69 33.333% * 0.2313% (0.38 0.02 0.02) = 0.231% Peak 866 (3.33, 8.82, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.966, support = 5.01, residual support = 15.1: HD3 PRO 68 - HN ASN 69 16.667% * 94.0529% (0.98 5.31 16.04) = 94.053% kept HB3 CYS 53 - HN ASN 69 16.667% * 4.7543% (0.92 0.28 0.02) = 4.754% kept HD3 PRO 93 - HN ASN 69 16.667% * 0.3597% (1.00 0.02 0.02) = 0.360% QB PHE 55 - HN ASN 69 16.667% * 0.3337% (0.92 0.02 0.02) = 0.334% HD2 ARG+ 54 - HN ASN 69 16.667% * 0.3020% (0.84 0.02 0.17) = 0.302% HB2 PHE 59 - HN ASN 69 16.667% * 0.1974% (0.55 0.02 0.02) = 0.197% Peak 867 (2.86, 8.82, 114.58 ppm): 2 chemical-shift based assignments, quality = 0.755, support = 0.215, residual support = 0.192: QE LYS+ 66 - HN ASN 69 50.000% * 89.5953% (0.73 0.24 0.21) = 89.595% kept HB3 ASN 35 - HN ASN 69 50.000% * 10.4047% (1.00 0.02 0.02) = 10.405% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 868 (2.17, 8.82, 114.58 ppm): 3 chemical-shift based assignments, quality = 0.86, support = 0.637, residual support = 0.713: HB2 LYS+ 38 - HN ASN 69 33.333% * 76.7463% (0.98 0.75 0.92) = 76.746% kept HB2 GLN 90 - HN ASN 69 33.333% * 11.6992% (0.32 0.35 0.02) = 11.699% kept HG3 GLU- 29 - HN ASN 69 33.333% * 11.5545% (0.61 0.18 0.02) = 11.555% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 869 (2.03, 8.82, 114.58 ppm): 9 chemical-shift based assignments, quality = 0.973, support = 3.92, residual support = 15.9: O HB3 PRO 68 - HN ASN 69 11.111% * 99.2663% (0.98 10.0 3.95 16.04) = 99.266% kept HG3 GLN 30 - HN ASN 69 11.111% * 0.4555% (0.73 1.0 0.12 0.02) = 0.455% HB2 LYS+ 111 - HN ASN 69 11.111% * 0.0614% (0.61 1.0 0.02 0.02) = 0.061% QB GLU- 15 - HN ASN 69 11.111% * 0.0493% (0.49 1.0 0.02 0.02) = 0.049% HB2 GLN 17 - HN ASN 69 11.111% * 0.0493% (0.49 1.0 0.02 0.02) = 0.049% HB3 GLU- 100 - HN ASN 69 11.111% * 0.0380% (0.38 1.0 0.02 0.02) = 0.038% HB ILE 119 - HN ASN 69 11.111% * 0.0282% (0.28 1.0 0.02 0.02) = 0.028% HB2 GLN 30 - HN ASN 69 11.111% * 0.0282% (0.28 1.0 0.02 0.02) = 0.028% HB3 GLU- 25 - HN ASN 69 11.111% * 0.0239% (0.24 1.0 0.02 0.02) = 0.024% Peak 870 (1.88, 8.82, 114.58 ppm): 11 chemical-shift based assignments, quality = 0.82, support = 0.623, residual support = 0.755: HB3 LYS+ 38 - HN ASN 69 9.091% * 81.4028% (0.88 0.75 0.92) = 81.403% kept HB3 GLN 30 - HN ASN 69 9.091% * 9.2403% (0.61 0.12 0.02) = 9.240% kept HB ILE 56 - HN ASN 69 9.091% * 2.4475% (1.00 0.02 0.02) = 2.448% kept QB LYS+ 106 - HN ASN 69 9.091% * 1.4919% (0.61 0.02 0.02) = 1.492% kept QB LYS+ 81 - HN ASN 69 9.091% * 1.3432% (0.55 0.02 0.02) = 1.343% kept HB3 GLN 90 - HN ASN 69 9.091% * 1.0566% (0.43 0.02 0.02) = 1.057% kept HB2 MET 92 - HN ASN 69 9.091% * 0.9232% (0.38 0.02 0.02) = 0.923% QB LYS+ 33 - HN ASN 69 9.091% * 0.7986% (0.32 0.02 0.02) = 0.799% HB3 ASP- 105 - HN ASN 69 9.091% * 0.4868% (0.20 0.02 0.02) = 0.487% HG2 ARG+ 54 - HN ASN 69 9.091% * 0.4046% (0.16 0.02 0.17) = 0.405% HB3 PRO 58 - HN ASN 69 9.091% * 0.4046% (0.16 0.02 0.02) = 0.405% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 871 (0.87, 8.82, 114.58 ppm): 6 chemical-shift based assignments, quality = 0.485, support = 2.94, residual support = 10.9: QG1 VAL 70 - HN ASN 69 16.667% * 77.0856% (0.49 3.60 13.99) = 77.086% kept QD1 LEU 71 - HN ASN 69 16.667% * 11.0574% (0.20 1.27 0.10) = 11.057% kept QG1 VAL 18 - HN ASN 69 16.667% * 6.9775% (0.67 0.24 0.75) = 6.978% kept HB3 LEU 63 - HN ASN 69 16.667% * 4.5317% (0.92 0.11 0.02) = 4.532% kept QD1 LEU 123 - HN ASN 69 16.667% * 0.1739% (0.20 0.02 0.02) = 0.174% QG1 VAL 108 - HN ASN 69 16.667% * 0.1739% (0.20 0.02 0.02) = 0.174% Peak 872 (3.75, 7.34, 119.88 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 3.61, residual support = 16.2: HD2 PRO 68 - HN LEU 67 50.000% * 99.4907% (1.00 3.62 16.29) = 99.491% kept HA ALA 61 - HN LEU 67 50.000% * 0.5093% (0.92 0.02 0.02) = 0.509% Peak 873 (3.34, 7.34, 119.88 ppm): 5 chemical-shift based assignments, quality = 0.544, support = 2.9, residual support = 12.3: HD3 PRO 68 - HN LEU 67 20.000% * 75.4372% (0.55 3.62 16.29) = 75.437% kept HD3 PRO 93 - HN LEU 67 20.000% * 18.6395% (0.61 0.81 0.02) = 18.639% kept QB PHE 55 - HN LEU 67 20.000% * 4.5220% (0.43 0.28 0.89) = 4.522% kept HD2 ARG+ 54 - HN LEU 67 20.000% * 0.7286% (0.96 0.02 0.23) = 0.729% HB3 CYS 53 - HN LEU 67 20.000% * 0.6726% (0.88 0.02 0.02) = 0.673% Peak 874 (2.85, 7.34, 119.88 ppm): 3 chemical-shift based assignments, quality = 0.272, support = 3.33, residual support = 9.38: QE LYS+ 66 - HN LEU 67 33.333% * 75.8376% (0.24 4.15 11.99) = 75.838% kept HA ALA 64 - HN LEU 67 33.333% * 23.1294% (0.38 0.80 1.21) = 23.129% kept HB3 ASN 35 - HN LEU 67 33.333% * 1.0330% (0.67 0.02 0.02) = 1.033% kept Peak 875 (1.98, 7.34, 119.88 ppm): 6 chemical-shift based assignments, quality = 0.363, support = 3.74, residual support = 25.4: O HB2 LEU 67 - HN LEU 67 16.667% * 73.8564% (0.32 10.0 4.02 30.56) = 73.856% kept HG2 PRO 68 - HN LEU 67 16.667% * 17.5863% (0.38 1.0 4.12 16.29) = 17.586% kept HB2 LEU 115 - HN LEU 67 16.667% * 5.7299% (0.88 1.0 0.57 0.02) = 5.730% kept HB ILE 19 - HN LEU 67 16.667% * 1.4383% (0.28 1.0 0.45 0.40) = 1.438% kept QB GLU- 114 - HN LEU 67 16.667% * 1.1791% (0.20 1.0 0.52 0.02) = 1.179% kept HG3 PRO 58 - HN LEU 67 16.667% * 0.2100% (0.92 1.0 0.02 0.02) = 0.210% Peak 876 (1.82, 7.34, 119.88 ppm): 7 chemical-shift based assignments, quality = 0.798, support = 3.31, residual support = 8.24: QB LYS+ 66 - HN LEU 67 14.286% * 68.5157% (0.88 4.45 11.99) = 68.516% kept QB LYS+ 65 - HN LEU 67 14.286% * 12.7100% (0.55 1.33 0.11) = 12.710% kept HB2 LEU 71 - HN LEU 67 14.286% * 6.3659% (0.49 0.75 0.02) = 6.366% kept HG2 PRO 93 - HN LEU 67 14.286% * 5.9477% (0.98 0.35 0.02) = 5.948% kept HG12 ILE 103 - HN LEU 67 14.286% * 2.8690% (0.38 0.44 0.02) = 2.869% kept HB VAL 41 - HN LEU 67 14.286% * 1.8363% (0.61 0.17 0.11) = 1.836% kept QB LYS+ 102 - HN LEU 67 14.286% * 1.7554% (0.73 0.14 0.02) = 1.755% kept Peak 877 (1.46, 7.34, 119.88 ppm): 8 chemical-shift based assignments, quality = 0.947, support = 4.19, residual support = 25.8: HG LEU 67 - HN LEU 67 12.500% * 84.2889% (1.00 4.89 30.56) = 84.289% kept HB3 LEU 115 - HN LEU 67 12.500% * 6.7797% (0.98 0.40 0.02) = 6.780% kept HG LEU 115 - HN LEU 67 12.500% * 5.4174% (0.43 0.73 0.02) = 5.417% kept HG LEU 40 - HN LEU 67 12.500% * 1.3253% (0.98 0.08 0.02) = 1.325% kept HG2 LYS+ 102 - HN LEU 67 12.500% * 1.1701% (0.49 0.14 0.02) = 1.170% kept QB ALA 120 - HN LEU 67 12.500% * 0.5969% (0.43 0.08 0.02) = 0.597% HB3 LEU 40 - HN LEU 67 12.500% * 0.3092% (0.16 0.11 0.02) = 0.309% HG LEU 73 - HN LEU 67 12.500% * 0.1126% (0.32 0.02 0.02) = 0.113% Peak 878 (0.96, 7.34, 119.88 ppm): 4 chemical-shift based assignments, quality = 0.894, support = 0.02, residual support = 0.02: QD1 ILE 103 - HN LEU 67 25.000% * 32.3372% (1.00 0.02 0.02) = 32.337% kept QG2 ILE 119 - HN LEU 67 25.000% * 30.0006% (0.92 0.02 0.02) = 30.001% kept QD2 LEU 71 - HN LEU 67 25.000% * 30.0006% (0.92 0.02 0.02) = 30.001% kept HG3 LYS+ 74 - HN LEU 67 25.000% * 7.6616% (0.24 0.02 0.02) = 7.662% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 879 (3.95, 7.27, 117.25 ppm): 9 chemical-shift based assignments, quality = 0.37, support = 4.6, residual support = 22.4: O HA LYS+ 65 - HN LYS+ 66 11.111% * 89.6800% (0.32 10.0 5.09 24.95) = 89.680% kept HA LYS+ 121 - HN LYS+ 66 11.111% * 4.9483% (0.78 1.0 0.46 0.02) = 4.948% kept HA ALA 120 - HN LYS+ 66 11.111% * 4.3588% (0.92 1.0 0.34 0.02) = 4.359% kept QB SER 48 - HN LYS+ 66 11.111% * 0.2708% (0.98 1.0 0.02 0.02) = 0.271% HB THR 94 - HN LYS+ 66 11.111% * 0.2438% (0.88 1.0 0.02 0.02) = 0.244% HA2 GLY 51 - HN LYS+ 66 11.111% * 0.1842% (0.67 1.0 0.02 0.02) = 0.184% HA2 GLY 16 - HN LYS+ 66 11.111% * 0.1187% (0.43 1.0 0.02 0.02) = 0.119% QB SER 85 - HN LYS+ 66 11.111% * 0.1187% (0.43 1.0 0.02 0.02) = 0.119% QB SER 117 - HN LYS+ 66 11.111% * 0.0768% (0.28 1.0 0.02 0.02) = 0.077% Peak 880 (3.50, 7.27, 117.25 ppm): 3 chemical-shift based assignments, quality = 0.975, support = 2.13, residual support = 3.69: HA LEU 63 - HN LYS+ 66 33.333% * 99.4368% (0.98 2.14 3.71) = 99.437% kept HB2 HIS 22 - HN LYS+ 66 33.333% * 0.4073% (0.43 0.02 0.02) = 0.407% HA2 GLY 101 - HN LYS+ 66 33.333% * 0.1559% (0.16 0.02 0.02) = 0.156% Peak 881 (2.85, 7.27, 117.25 ppm): 2 chemical-shift based assignments, quality = 0.881, support = 3.69, residual support = 7.91: HA ALA 64 - HN LYS+ 66 50.000% * 99.8787% (0.88 3.69 7.92) = 99.879% kept HB3 ASN 35 - HN LYS+ 66 50.000% * 0.1213% (0.20 0.02 0.02) = 0.121% Peak 882 (1.81, 7.27, 117.25 ppm): 7 chemical-shift based assignments, quality = 0.614, support = 4.7, residual support = 60.4: O QB LYS+ 66 - HN LYS+ 66 14.286% * 57.7745% (0.38 10.0 4.37 87.00) = 57.774% kept QB LYS+ 65 - HN LYS+ 66 14.286% * 40.5616% (0.98 1.0 5.38 24.95) = 40.562% kept HB VAL 41 - HN LYS+ 66 14.286% * 0.8419% (0.16 1.0 0.67 0.54) = 0.842% HG2 PRO 93 - HN LYS+ 66 14.286% * 0.4854% (0.78 1.0 0.08 0.02) = 0.485% QB LYS+ 102 - HN LYS+ 66 14.286% * 0.1532% (1.00 1.0 0.02 0.02) = 0.153% HB2 LEU 71 - HN LYS+ 66 14.286% * 0.1472% (0.96 1.0 0.02 0.02) = 0.147% HB3 GLN 17 - HN LYS+ 66 14.286% * 0.0363% (0.24 1.0 0.02 0.02) = 0.036% Peak 883 (1.47, 7.27, 117.25 ppm): 6 chemical-shift based assignments, quality = 0.756, support = 1.44, residual support = 3.8: HG LEU 67 - HN LYS+ 66 16.667% * 30.5726% (0.73 2.02 11.99) = 30.573% kept HG LEU 115 - HN LYS+ 66 16.667% * 30.2176% (0.92 1.57 0.18) = 30.218% kept HB3 LEU 40 - HN LYS+ 66 16.667% * 17.1644% (0.61 1.36 0.28) = 17.164% kept QB ALA 120 - HN LYS+ 66 16.667% * 8.1103% (0.92 0.42 0.02) = 8.110% kept HG LEU 40 - HN LYS+ 66 16.667% * 6.9869% (0.55 0.61 0.28) = 6.987% kept HB3 LEU 115 - HN LYS+ 66 16.667% * 6.9482% (0.55 0.61 0.18) = 6.948% kept Peak 884 (0.40, 7.27, 117.25 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 3.3, residual support = 7.92: QB ALA 64 - HN LYS+ 66 100.000% *100.0000% (0.88 3.30 7.92) = 100.000% kept Peak 885 (3.96, 6.90, 114.80 ppm): 8 chemical-shift based assignments, quality = 0.574, support = 4.42, residual support = 103.9: O HA LYS+ 65 - HN LYS+ 65 12.500% * 97.1581% (0.58 10.0 4.54 106.91) = 97.158% kept HA ALA 120 - HN LYS+ 65 12.500% * 2.1442% (0.61 1.0 0.42 0.02) = 2.144% kept QB SER 85 - HN LYS+ 65 12.500% * 0.4278% (0.64 1.0 0.08 0.02) = 0.428% HA2 GLY 16 - HN LYS+ 65 12.500% * 0.1074% (0.64 1.0 0.02 0.02) = 0.107% QB SER 48 - HN LYS+ 65 12.500% * 0.0635% (0.38 1.0 0.02 0.02) = 0.064% HB THR 94 - HN LYS+ 65 12.500% * 0.0437% (0.26 1.0 0.02 0.02) = 0.044% HA LYS+ 121 - HN LYS+ 65 12.500% * 0.0323% (0.19 1.0 0.02 0.02) = 0.032% HA2 GLY 51 - HN LYS+ 65 12.500% * 0.0230% (0.14 1.0 0.02 0.02) = 0.023% Peak 886 (2.85, 6.90, 114.80 ppm): 2 chemical-shift based assignments, quality = 0.61, support = 4.17, residual support = 19.7: O HA ALA 64 - HN LYS+ 65 50.000% * 99.9776% (0.61 10.0 4.17 19.75) = 99.978% kept HB3 ASN 35 - HN LYS+ 65 50.000% * 0.0224% (0.14 1.0 0.02 0.02) = 0.022% Peak 887 (1.82, 6.90, 114.80 ppm): 7 chemical-shift based assignments, quality = 0.457, support = 4.29, residual support = 74.8: O QB LYS+ 65 - HN LYS+ 65 14.286% * 65.4981% (0.38 10.0 5.11 106.91) = 65.498% kept QB LYS+ 66 - HN LYS+ 65 14.286% * 18.8688% (0.61 1.0 3.57 24.95) = 18.869% kept HG2 PRO 93 - HN LYS+ 65 14.286% * 11.7416% (0.68 1.0 2.00 0.95) = 11.742% kept HB VAL 41 - HN LYS+ 65 14.286% * 3.7010% (0.42 1.0 1.02 0.02) = 3.701% kept QB LYS+ 102 - HN LYS+ 65 14.286% * 0.0871% (0.50 1.0 0.02 0.02) = 0.087% HB2 LEU 71 - HN LYS+ 65 14.286% * 0.0584% (0.34 1.0 0.02 0.02) = 0.058% HG12 ILE 103 - HN LYS+ 65 14.286% * 0.0450% (0.26 1.0 0.02 0.02) = 0.045% Peak 888 (1.48, 6.90, 114.80 ppm): 5 chemical-shift based assignments, quality = 0.586, support = 1.03, residual support = 0.943: HG LEU 115 - HN LYS+ 65 20.000% * 56.6365% (0.61 1.43 1.64) = 56.637% kept HB3 LEU 40 - HN LYS+ 65 20.000% * 20.7855% (0.69 0.47 0.02) = 20.785% kept QB ALA 120 - HN LYS+ 65 20.000% * 13.6252% (0.61 0.35 0.02) = 13.625% kept HG LEU 67 - HN LYS+ 65 20.000% * 8.7757% (0.16 0.83 0.11) = 8.776% kept HB2 LYS+ 74 - HN LYS+ 65 20.000% * 0.1771% (0.14 0.02 0.02) = 0.177% Peak 890 (1.35, 6.90, 114.80 ppm): 9 chemical-shift based assignments, quality = 0.524, support = 1.1, residual support = 0.837: HB2 LEU 63 - HN LYS+ 65 11.111% * 39.8646% (0.34 1.82 1.30) = 39.865% kept HB3 PRO 93 - HN LYS+ 65 11.111% * 33.1068% (0.68 0.75 0.95) = 33.107% kept QB ALA 84 - HN LYS+ 65 11.111% * 24.0972% (0.69 0.54 0.02) = 24.097% kept HG LEU 98 - HN LYS+ 65 11.111% * 0.8828% (0.68 0.02 0.02) = 0.883% QB ALA 124 - HN LYS+ 65 11.111% * 0.7949% (0.61 0.02 0.02) = 0.795% HB3 ASP- 44 - HN LYS+ 65 11.111% * 0.6007% (0.46 0.02 0.02) = 0.601% HB3 LEU 80 - HN LYS+ 65 11.111% * 0.2924% (0.22 0.02 0.02) = 0.292% HG3 LYS+ 106 - HN LYS+ 65 11.111% * 0.2123% (0.16 0.02 0.02) = 0.212% HB2 LEU 31 - HN LYS+ 65 11.111% * 0.1481% (0.11 0.02 0.02) = 0.148% Peak 891 (0.40, 6.90, 114.80 ppm): 1 chemical-shift based assignment, quality = 0.61, support = 4.14, residual support = 19.7: QB ALA 64 - HN LYS+ 65 100.000% *100.0000% (0.61 4.14 19.75) = 100.000% kept Peak 892 (3.74, 6.46, 118.53 ppm): 3 chemical-shift based assignments, quality = 0.786, support = 0.674, residual support = 2.24: HA ALA 61 - HN ALA 64 33.333% * 66.6736% (0.88 0.75 3.15) = 66.674% kept HD2 PRO 68 - HN ALA 64 33.333% * 32.5703% (0.61 0.53 0.44) = 32.570% kept HD3 PRO 58 - HN ALA 64 33.333% * 0.7561% (0.38 0.02 0.02) = 0.756% Peak 893 (2.85, 6.46, 118.53 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 4.05, residual support = 20.2: O HA ALA 64 - HN ALA 64 50.000% * 99.9776% (0.88 10.0 4.06 20.22) = 99.978% kept HB3 ASN 35 - HN ALA 64 50.000% * 0.0224% (0.20 1.0 0.02 0.02) = 0.022% Peak 894 (1.80, 6.46, 118.53 ppm): 5 chemical-shift based assignments, quality = 0.805, support = 4.07, residual support = 16.7: QB LYS+ 65 - HN ALA 64 20.000% * 84.5238% (0.84 4.73 19.75) = 84.524% kept HB2 LEU 71 - HN ALA 64 20.000% * 6.5626% (0.88 0.35 0.02) = 6.563% kept HG2 PRO 93 - HN ALA 64 20.000% * 4.8362% (0.32 0.70 0.02) = 4.836% kept QB LYS+ 102 - HN ALA 64 20.000% * 3.7920% (0.67 0.27 0.02) = 3.792% kept HB3 GLN 17 - HN ALA 64 20.000% * 0.2854% (0.67 0.02 1.63) = 0.285% Peak 895 (1.35, 6.46, 118.53 ppm): 9 chemical-shift based assignments, quality = 0.686, support = 4.53, residual support = 26.5: HB2 LEU 63 - HN ALA 64 11.111% * 58.6233% (0.49 7.07 45.07) = 58.623% kept HB3 PRO 93 - HN ALA 64 11.111% * 19.6744% (0.98 1.18 0.02) = 19.674% kept QB ALA 84 - HN ALA 64 11.111% * 15.0439% (1.00 0.89 0.23) = 15.044% kept HG LEU 98 - HN ALA 64 11.111% * 5.8835% (0.98 0.35 0.02) = 5.883% kept QB ALA 124 - HN ALA 64 11.111% * 0.3007% (0.88 0.02 0.02) = 0.301% HB3 ASP- 44 - HN ALA 64 11.111% * 0.2273% (0.67 0.02 0.02) = 0.227% HB3 LEU 80 - HN ALA 64 11.111% * 0.1106% (0.32 0.02 0.02) = 0.111% HG3 LYS+ 106 - HN ALA 64 11.111% * 0.0803% (0.24 0.02 0.02) = 0.080% HB2 LEU 31 - HN ALA 64 11.111% * 0.0560% (0.16 0.02 0.02) = 0.056% Peak 896 (1.05, 6.46, 118.53 ppm): 4 chemical-shift based assignments, quality = 0.329, support = 5.48, residual support = 37.7: HG LEU 63 - HN ALA 64 25.000% * 83.6635% (0.24 6.49 45.07) = 83.663% kept HG3 LYS+ 112 - HN ALA 64 25.000% * 15.8016% (0.84 0.35 0.02) = 15.802% kept QG2 VAL 108 - HN ALA 64 25.000% * 0.3550% (0.32 0.02 0.02) = 0.355% HB2 LEU 104 - HN ALA 64 25.000% * 0.1799% (0.16 0.02 0.02) = 0.180% Peak 897 (0.88, 6.46, 118.53 ppm): 3 chemical-shift based assignments, quality = 0.921, support = 6.45, residual support = 44.9: HB3 LEU 63 - HN ALA 64 33.333% * 99.7185% (0.92 6.46 45.07) = 99.718% kept QG1 VAL 108 - HN ALA 64 33.333% * 0.2027% (0.61 0.02 0.02) = 0.203% QG1 VAL 18 - HN ALA 64 33.333% * 0.0788% (0.24 0.02 10.19) = 0.079% Peak 898 (0.57, 6.46, 118.53 ppm): 6 chemical-shift based assignments, quality = 0.804, support = 5.84, residual support = 43.6: QD2 LEU 63 - HN ALA 64 16.667% * 72.9022% (1.00 5.80 45.07) = 72.902% kept QD1 LEU 63 - HN ALA 64 16.667% * 23.5337% (0.28 6.73 45.07) = 23.534% kept QD1 LEU 73 - HN ALA 64 16.667% * 3.4143% (0.28 0.98 3.45) = 3.414% kept QG2 VAL 41 - HN ALA 64 16.667% * 0.0817% (0.32 0.02 0.02) = 0.082% QD2 LEU 98 - HN ALA 64 16.667% * 0.0340% (0.14 0.02 0.02) = 0.034% QD1 LEU 80 - HN ALA 64 16.667% * 0.0340% (0.14 0.02 0.02) = 0.034% Peak 899 (0.40, 6.46, 118.53 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 4.06, residual support = 20.2: O QB ALA 64 - HN ALA 64 100.000% *100.0000% (0.88 10.0 4.06 20.22) = 100.000% kept Peak 900 (4.22, 7.59, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 5.03, residual support = 30.6: O HA ASP- 62 - HN LEU 63 33.333% * 99.9197% (0.92 10.0 5.04 30.61) = 99.920% kept HB THR 26 - HN LEU 63 33.333% * 0.0657% (0.61 1.0 0.02 0.02) = 0.066% HA SER 82 - HN LEU 63 33.333% * 0.0146% (0.14 1.0 0.02 0.02) = 0.015% Peak 901 (3.93, 7.59, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.64, support = 0.908, residual support = 1.25: QB SER 117 - HN LEU 63 16.667% * 26.4907% (0.98 0.69 0.52) = 26.491% kept HA PHE 60 - HN LEU 63 16.667% * 23.8078% (0.43 1.41 3.61) = 23.808% kept HA2 GLY 51 - HN LEU 63 16.667% * 21.5072% (0.67 0.82 0.80) = 21.507% kept HB THR 94 - HN LEU 63 16.667% * 15.3760% (0.43 0.91 0.48) = 15.376% kept HA LYS+ 121 - HN LEU 63 16.667% * 12.5997% (0.55 0.59 0.02) = 12.600% kept QB SER 48 - HN LEU 63 16.667% * 0.2187% (0.28 0.02 0.02) = 0.219% Peak 902 (3.51, 7.59, 120.97 ppm): 2 chemical-shift based assignments, quality = 0.545, support = 7.19, residual support = 199.7: O HA LEU 63 - HN LEU 63 50.000% * 99.8891% (0.55 10.0 7.20 199.94) = 99.889% kept HA2 GLY 101 - HN LEU 63 50.000% * 0.1109% (0.61 1.0 0.02 0.02) = 0.111% Peak 903 (2.65, 7.59, 120.97 ppm): 2 chemical-shift based assignments, quality = 0.955, support = 5.03, residual support = 30.6: HB2 ASP- 62 - HN LEU 63 50.000% * 99.9317% (0.96 5.04 30.61) = 99.932% kept HB2 PRO 52 - HN LEU 63 50.000% * 0.0683% (0.16 0.02 0.49) = 0.068% Peak 904 (2.45, 7.59, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.876, support = 5.0, residual support = 30.4: HB3 ASP- 62 - HN LEU 63 25.000% * 99.2852% (0.88 5.04 30.61) = 99.285% kept HG3 MET 96 - HN LEU 63 25.000% * 0.3731% (0.84 0.02 0.13) = 0.373% HG2 GLU- 36 - HN LEU 63 25.000% * 0.2174% (0.49 0.02 0.02) = 0.217% HB3 ASP- 86 - HN LEU 63 25.000% * 0.1242% (0.28 0.02 0.02) = 0.124% Peak 905 (1.35, 7.59, 120.97 ppm): 9 chemical-shift based assignments, quality = 0.525, support = 7.02, residual support = 180.7: O HB2 LEU 63 - HN LEU 63 11.111% * 90.3778% (0.49 10.0 7.73 199.94) = 90.378% kept QB ALA 84 - HN LEU 63 11.111% * 4.8432% (1.00 1.0 0.52 0.14) = 4.843% kept HB3 PRO 93 - HN LEU 63 11.111% * 3.8080% (0.98 1.0 0.42 0.18) = 3.808% kept HB2 LEU 31 - HN LEU 63 11.111% * 0.3973% (0.16 1.0 0.26 0.34) = 0.397% HG LEU 98 - HN LEU 63 11.111% * 0.1820% (0.98 1.0 0.02 0.12) = 0.182% QB ALA 124 - HN LEU 63 11.111% * 0.1639% (0.88 1.0 0.02 0.02) = 0.164% HB3 ASP- 44 - HN LEU 63 11.111% * 0.1238% (0.67 1.0 0.02 0.02) = 0.124% HB3 LEU 80 - HN LEU 63 11.111% * 0.0603% (0.32 1.0 0.02 0.65) = 0.060% HG3 LYS+ 106 - HN LEU 63 11.111% * 0.0438% (0.24 1.0 0.02 0.02) = 0.044% Peak 906 (1.07, 7.59, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.94, support = 6.61, residual support = 176.1: HG LEU 63 - HN LEU 63 33.333% * 88.0494% (1.00 7.28 199.94) = 88.049% kept HG3 LYS+ 112 - HN LEU 63 33.333% * 10.7595% (0.49 1.82 0.20) = 10.759% kept QG2 VAL 24 - HN LEU 63 33.333% * 1.1911% (0.96 0.10 1.23) = 1.191% kept Peak 907 (0.88, 7.59, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 7.27, residual support = 199.8: O HB3 LEU 63 - HN LEU 63 33.333% * 99.9088% (0.92 10.0 7.27 199.94) = 99.909% kept QG1 VAL 108 - HN LEU 63 33.333% * 0.0656% (0.61 1.0 0.02 0.02) = 0.066% QG1 VAL 18 - HN LEU 63 33.333% * 0.0255% (0.24 1.0 0.02 0.02) = 0.026% Peak 908 (0.58, 7.59, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.728, support = 6.19, residual support = 183.5: QD2 LEU 63 - HN LEU 63 20.000% * 46.2189% (0.67 7.26 199.94) = 46.219% kept QD1 LEU 63 - HN LEU 63 20.000% * 45.2645% (0.78 6.06 199.94) = 45.265% kept QD1 LEU 73 - HN LEU 63 20.000% * 8.4185% (0.78 1.13 6.67) = 8.418% kept QD2 LEU 115 - HN LEU 63 20.000% * 0.0531% (0.28 0.02 0.02) = 0.053% QD2 LEU 80 - HN LEU 63 20.000% * 0.0450% (0.24 0.02 0.65) = 0.045% Peak 909 (2.65, 7.86, 120.86 ppm): 2 chemical-shift based assignments, quality = 0.812, support = 3.65, residual support = 38.3: O HB2 ASP- 62 - HN ASP- 62 50.000% * 98.2703% (0.82 10.0 3.68 38.89) = 98.270% kept HB2 PRO 52 - HN ASP- 62 50.000% * 1.7297% (0.14 1.0 2.05 2.09) = 1.730% kept Peak 910 (2.45, 7.86, 120.86 ppm): 4 chemical-shift based assignments, quality = 0.759, support = 3.68, residual support = 38.8: O HB3 ASP- 62 - HN ASP- 62 25.000% * 99.8190% (0.76 10.0 3.68 38.89) = 99.819% kept HG3 MET 96 - HN ASP- 62 25.000% * 0.0945% (0.72 1.0 0.02 0.02) = 0.094% HG2 GLU- 36 - HN ASP- 62 25.000% * 0.0551% (0.42 1.0 0.02 0.02) = 0.055% HB3 ASP- 86 - HN ASP- 62 25.000% * 0.0314% (0.24 1.0 0.02 0.90) = 0.031% Peak 911 (1.84, 7.86, 120.86 ppm): 8 chemical-shift based assignments, quality = 0.71, support = 0.99, residual support = 1.39: HB3 PRO 52 - HN ASP- 62 12.500% * 66.1820% (0.76 1.30 2.09) = 66.182% kept HG LEU 123 - HN ASP- 62 12.500% * 24.1198% (0.76 0.47 0.02) = 24.120% kept HG3 PRO 68 - HN ASP- 62 12.500% * 4.1060% (0.32 0.19 0.02) = 4.106% kept HG2 ARG+ 54 - HN ASP- 62 12.500% * 4.0587% (0.24 0.25 0.02) = 4.059% kept HG12 ILE 103 - HN ASP- 62 12.500% * 0.5632% (0.42 0.02 0.02) = 0.563% HB ILE 103 - HN ASP- 62 12.500% * 0.3757% (0.28 0.02 0.02) = 0.376% HB VAL 41 - HN ASP- 62 12.500% * 0.3217% (0.24 0.02 0.02) = 0.322% HB3 ASP- 105 - HN ASP- 62 12.500% * 0.2728% (0.20 0.02 0.02) = 0.273% Peak 912 (1.42, 7.86, 120.86 ppm): 9 chemical-shift based assignments, quality = 0.704, support = 2.56, residual support = 4.73: QB ALA 61 - HN ASP- 62 11.111% * 92.9443% (0.72 2.75 5.09) = 92.944% kept QB ALA 110 - HN ASP- 62 11.111% * 4.0008% (0.86 0.10 0.02) = 4.001% kept HG LEU 80 - HN ASP- 62 11.111% * 0.8064% (0.86 0.02 0.02) = 0.806% HG12 ILE 19 - HN ASP- 62 11.111% * 0.7944% (0.84 0.02 0.02) = 0.794% HB3 LEU 67 - HN ASP- 62 11.111% * 0.4916% (0.52 0.02 0.02) = 0.492% HB2 LEU 80 - HN ASP- 62 11.111% * 0.3481% (0.37 0.02 0.02) = 0.348% QG LYS+ 66 - HN ASP- 62 11.111% * 0.2631% (0.28 0.02 0.02) = 0.263% HD3 LYS+ 121 - HN ASP- 62 11.111% * 0.1911% (0.20 0.02 0.02) = 0.191% HB3 LYS+ 74 - HN ASP- 62 11.111% * 0.1604% (0.17 0.02 0.02) = 0.160% Peak 913 (1.82, 7.59, 120.97 ppm): 7 chemical-shift based assignments, quality = 0.759, support = 1.36, residual support = 1.48: QB LYS+ 65 - HN LEU 63 14.286% * 36.3677% (0.55 2.25 1.30) = 36.368% kept HG2 PRO 93 - HN LEU 63 14.286% * 26.8830% (0.98 0.93 0.18) = 26.883% kept QB LYS+ 66 - HN LEU 63 14.286% * 25.7124% (0.88 0.99 3.71) = 25.712% kept QB LYS+ 102 - HN LEU 63 14.286% * 7.8923% (0.73 0.37 0.02) = 7.892% kept HB2 LEU 71 - HN LEU 63 14.286% * 2.5644% (0.49 0.18 0.02) = 2.564% kept HB VAL 41 - HN LEU 63 14.286% * 0.3584% (0.61 0.02 0.02) = 0.358% HG12 ILE 103 - HN LEU 63 14.286% * 0.2218% (0.38 0.02 0.02) = 0.222% Peak 914 (3.93, 7.72, 117.18 ppm): 6 chemical-shift based assignments, quality = 0.441, support = 4.72, residual support = 21.4: O HA PHE 60 - HN ALA 61 16.667% * 97.1323% (0.43 10.0 4.85 22.06) = 97.132% kept QB SER 117 - HN ALA 61 16.667% * 2.4334% (0.98 1.0 0.22 0.02) = 2.433% kept HA2 GLY 51 - HN ALA 61 16.667% * 0.1508% (0.67 1.0 0.02 0.02) = 0.151% HA LYS+ 121 - HN ALA 61 16.667% * 0.1235% (0.55 1.0 0.02 0.02) = 0.123% HB THR 94 - HN ALA 61 16.667% * 0.0971% (0.43 1.0 0.02 0.02) = 0.097% QB SER 48 - HN ALA 61 16.667% * 0.0629% (0.28 1.0 0.02 0.02) = 0.063% Peak 915 (3.74, 7.72, 117.18 ppm): 3 chemical-shift based assignments, quality = 0.88, support = 2.37, residual support = 11.3: O HA ALA 61 - HN ALA 61 33.333% * 99.6690% (0.88 10.0 2.37 11.32) = 99.669% kept HD3 PRO 58 - HN ALA 61 33.333% * 0.2625% (0.38 1.0 0.12 0.02) = 0.263% HD2 PRO 68 - HN ALA 61 33.333% * 0.0685% (0.61 1.0 0.02 0.02) = 0.069% Peak 916 (3.41, 7.72, 117.18 ppm): 2 chemical-shift based assignments, quality = 0.685, support = 3.79, residual support = 18.7: HB2 PHE 60 - HN ALA 61 50.000% * 84.4376% (0.67 4.36 22.06) = 84.438% kept HB2 TRP 87 - HN ALA 61 50.000% * 15.5624% (0.78 0.68 0.39) = 15.562% kept Peak 917 (2.97, 7.72, 117.18 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 4.61, residual support = 22.0: HB3 PHE 60 - HN ALA 61 50.000% * 99.6727% (0.96 4.63 22.06) = 99.673% kept QE LYS+ 106 - HN ALA 61 50.000% * 0.3273% (0.73 0.02 0.02) = 0.327% Peak 918 (1.44, 7.72, 117.18 ppm): 10 chemical-shift based assignments, quality = 0.508, support = 2.71, residual support = 10.3: O QB ALA 61 - HN ALA 61 10.000% * 91.1288% (0.49 10.0 2.92 11.32) = 91.129% kept QG LYS+ 66 - HN ALA 61 10.000% * 6.2328% (0.96 1.0 0.70 0.02) = 6.233% kept HG LEU 40 - HN ALA 61 10.000% * 1.4082% (0.32 1.0 0.46 0.02) = 1.408% kept HB3 LEU 67 - HN ALA 61 10.000% * 0.7025% (0.73 1.0 0.10 0.02) = 0.703% HG LEU 73 - HN ALA 61 10.000% * 0.1835% (0.98 1.0 0.02 0.02) = 0.184% HG2 LYS+ 102 - HN ALA 61 10.000% * 0.1652% (0.88 1.0 0.02 0.02) = 0.165% HB3 LEU 115 - HN ALA 61 10.000% * 0.0608% (0.32 1.0 0.02 0.02) = 0.061% HG LEU 80 - HN ALA 61 10.000% * 0.0441% (0.24 1.0 0.02 0.02) = 0.044% QB ALA 110 - HN ALA 61 10.000% * 0.0371% (0.20 1.0 0.02 0.02) = 0.037% HG LEU 67 - HN ALA 61 10.000% * 0.0371% (0.20 1.0 0.02 0.02) = 0.037% Peak 920 (3.72, 7.25, 119.50 ppm): 2 chemical-shift based assignments, quality = 0.735, support = 4.91, residual support = 29.1: HD3 PRO 58 - HN PHE 59 50.000% * 99.6101% (0.74 4.93 29.22) = 99.610% kept HA VAL 75 - HN PHE 59 50.000% * 0.3899% (0.71 0.02 0.02) = 0.390% Peak 921 (3.33, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.752, support = 3.72, residual support = 39.8: O HB2 PHE 59 - HN PHE 59 16.667% * 96.3015% (0.76 10.0 3.84 41.35) = 96.301% kept QB PHE 55 - HN PHE 59 16.667% * 3.4762% (0.68 1.0 0.80 0.02) = 3.476% kept HD3 PRO 68 - HN PHE 59 16.667% * 0.0769% (0.60 1.0 0.02 0.02) = 0.077% HD3 PRO 93 - HN PHE 59 16.667% * 0.0713% (0.56 1.0 0.02 0.02) = 0.071% HB3 CYS 53 - HN PHE 59 16.667% * 0.0422% (0.33 1.0 0.02 0.02) = 0.042% HD2 ARG+ 54 - HN PHE 59 16.667% * 0.0319% (0.25 1.0 0.02 0.02) = 0.032% Peak 922 (3.17, 7.25, 119.50 ppm): 1 chemical-shift based assignment, quality = 0.56, support = 4.32, residual support = 41.3: O HB3 PHE 59 - HN PHE 59 100.000% *100.0000% (0.56 10.0 4.32 41.35) = 100.000% kept Peak 923 (2.38, 7.25, 119.50 ppm): 5 chemical-shift based assignments, quality = 0.582, support = 0.334, residual support = 0.231: HB2 GLU- 100 - HN PHE 59 20.000% * 67.1117% (0.64 0.43 0.25) = 67.112% kept HB2 GLN 116 - HN PHE 59 20.000% * 21.7970% (0.51 0.17 0.11) = 21.797% kept HB3 PHE 97 - HN PHE 59 20.000% * 8.0776% (0.33 0.10 0.44) = 8.078% kept QG GLU- 79 - HN PHE 59 20.000% * 2.2723% (0.47 0.02 0.02) = 2.272% kept QG GLN 32 - HN PHE 59 20.000% * 0.7414% (0.15 0.02 0.02) = 0.741% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 924 (2.08, 7.25, 119.50 ppm): 4 chemical-shift based assignments, quality = 0.734, support = 5.78, residual support = 27.8: HG2 PRO 58 - HN PHE 59 25.000% * 95.1728% (0.74 6.07 29.22) = 95.173% kept HB2 GLU- 14 - HN PHE 59 25.000% * 4.1852% (0.77 0.26 0.02) = 4.185% kept HG2 MET 11 - HN PHE 59 25.000% * 0.3282% (0.77 0.02 0.02) = 0.328% HG3 PRO 52 - HN PHE 59 25.000% * 0.3138% (0.74 0.02 0.02) = 0.314% Peak 925 (1.90, 7.25, 119.50 ppm): 5 chemical-shift based assignments, quality = 0.598, support = 6.0, residual support = 28.8: O HB3 PRO 58 - HN PHE 59 20.000% * 98.7228% (0.60 10.0 6.07 29.22) = 98.723% kept HB3 GLU- 14 - HN PHE 59 20.000% * 1.1193% (0.18 1.0 0.75 0.02) = 1.119% kept HG3 MET 11 - HN PHE 59 20.000% * 0.0614% (0.38 1.0 0.02 0.02) = 0.061% HB2 MET 92 - HN PHE 59 20.000% * 0.0614% (0.38 1.0 0.02 0.02) = 0.061% HB3 GLN 30 - HN PHE 59 20.000% * 0.0351% (0.21 1.0 0.02 0.02) = 0.035% Peak 926 (1.71, 7.25, 119.50 ppm): 6 chemical-shift based assignments, quality = 0.495, support = 1.35, residual support = 2.19: QD LYS+ 99 - HN PHE 59 16.667% * 34.3444% (0.51 1.35 2.81) = 34.344% kept HB3 LYS+ 99 - HN PHE 59 16.667% * 32.6551% (0.42 1.57 2.81) = 32.655% kept QG1 ILE 56 - HN PHE 59 16.667% * 32.1653% (0.56 1.16 0.95) = 32.165% kept QD LYS+ 106 - HN PHE 59 16.667% * 0.4623% (0.47 0.02 0.02) = 0.462% HB2 LEU 73 - HN PHE 59 16.667% * 0.2475% (0.25 0.02 0.22) = 0.247% HB3 MET 92 - HN PHE 59 16.667% * 0.1254% (0.13 0.02 0.02) = 0.125% Peak 927 (3.76, 7.41, 127.14 ppm): 3 chemical-shift based assignments, quality = 0.3, support = 0.46, residual support = 0.53: HA LYS+ 38 - HN ALA 57 33.333% * 82.5302% (0.20 0.55 0.64) = 82.530% kept HA VAL 24 - HN ALA 57 33.333% * 13.9160% (0.92 0.02 0.02) = 13.916% kept HD2 PRO 68 - HN ALA 57 33.333% * 3.5539% (0.24 0.02 0.02) = 3.554% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 928 (3.36, 7.41, 127.14 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 929 (1.90, 7.41, 127.14 ppm): 5 chemical-shift based assignments, quality = 0.76, support = 3.55, residual support = 17.8: HB3 PRO 58 - HN ALA 57 20.000% * 95.9857% (0.78 3.68 18.57) = 95.986% kept HB3 GLN 30 - HN ALA 57 20.000% * 3.2088% (0.28 0.35 0.02) = 3.209% kept HB2 MET 92 - HN ALA 57 20.000% * 0.3242% (0.49 0.02 0.02) = 0.324% HG3 MET 11 - HN ALA 57 20.000% * 0.3242% (0.49 0.02 0.02) = 0.324% HB3 GLU- 14 - HN ALA 57 20.000% * 0.1570% (0.24 0.02 0.02) = 0.157% Peak 930 (1.64, 7.41, 127.14 ppm): 7 chemical-shift based assignments, quality = 0.831, support = 3.93, residual support = 14.4: O QB ALA 57 - HN ALA 57 14.286% * 96.9205% (0.84 10.0 4.05 14.82) = 96.920% kept HD2 LYS+ 74 - HN ALA 57 14.286% * 2.1871% (0.98 1.0 0.38 0.02) = 2.187% kept HD3 LYS+ 111 - HN ALA 57 14.286% * 0.7550% (0.78 1.0 0.17 0.02) = 0.755% HB3 LEU 123 - HN ALA 57 14.286% * 0.0435% (0.38 1.0 0.02 0.02) = 0.044% QD LYS+ 33 - HN ALA 57 14.286% * 0.0435% (0.38 1.0 0.02 0.02) = 0.044% HB2 LYS+ 121 - HN ALA 57 14.286% * 0.0274% (0.24 1.0 0.02 0.02) = 0.027% QD LYS+ 65 - HN ALA 57 14.286% * 0.0230% (0.20 1.0 0.02 0.02) = 0.023% Peak 931 (1.26, 7.41, 127.14 ppm): 8 chemical-shift based assignments, quality = 0.768, support = 3.42, residual support = 13.0: QG2 ILE 56 - HN ALA 57 12.500% * 72.6098% (0.73 4.47 17.73) = 72.610% kept HG3 LYS+ 38 - HN ALA 57 12.500% * 17.7626% (0.96 0.83 0.64) = 17.763% kept QG2 THR 39 - HN ALA 57 12.500% * 6.7326% (0.92 0.33 0.02) = 6.733% kept QB ALA 34 - HN ALA 57 12.500% * 2.1277% (0.43 0.22 0.02) = 2.128% kept QB ALA 91 - HN ALA 57 12.500% * 0.4130% (0.92 0.02 0.02) = 0.413% HG13 ILE 19 - HN ALA 57 12.500% * 0.1922% (0.43 0.02 0.02) = 0.192% HG3 LYS+ 99 - HN ALA 57 12.500% * 0.0885% (0.20 0.02 0.02) = 0.089% HG2 LYS+ 74 - HN ALA 57 12.500% * 0.0736% (0.16 0.02 0.02) = 0.074% Peak 932 (2.88, 7.68, 113.30 ppm): 4 chemical-shift based assignments, quality = 0.212, support = 2.86, residual support = 45.4: O HB2 ASN 69 - HD21 ASN 69 25.000% * 96.4729% (0.21 10.0 2.96 47.01) = 96.473% kept QE LYS+ 66 - HD21 ASN 69 25.000% * 1.9244% (0.37 1.0 0.22 0.21) = 1.924% kept HB3 ASN 35 - HD21 ASN 69 25.000% * 1.5420% (0.13 1.0 0.51 0.02) = 1.542% kept HB2 ASP- 76 - HD21 ASN 69 25.000% * 0.0606% (0.13 1.0 0.02 0.02) = 0.061% Peak 933 (0.88, 7.68, 113.30 ppm): 4 chemical-shift based assignments, quality = 0.229, support = 2.26, residual support = 8.15: QG1 VAL 70 - HD21 ASN 69 25.000% * 56.5732% (0.16 3.30 13.99) = 56.573% kept QG1 VAL 18 - HD21 ASN 69 25.000% * 31.3083% (0.24 1.18 0.75) = 31.308% kept HB3 LEU 63 - HD21 ASN 69 25.000% * 11.6558% (0.56 0.19 0.02) = 11.656% kept QG1 VAL 108 - HD21 ASN 69 25.000% * 0.4627% (0.21 0.02 0.02) = 0.463% Peak 934 (4.37, 7.68, 113.30 ppm): 5 chemical-shift based assignments, quality = 0.42, support = 0.02, residual support = 0.02: HA ASP- 113 - HD21 ASN 69 20.000% * 26.3095% (0.52 0.02 0.02) = 26.310% kept HA LYS+ 99 - HD21 ASN 69 20.000% * 25.1518% (0.50 0.02 0.02) = 25.152% kept HA ASN 35 - HD21 ASN 69 20.000% * 19.0093% (0.37 0.02 0.02) = 19.009% kept HA ILE 56 - HD21 ASN 69 20.000% * 17.2866% (0.34 0.02 0.02) = 17.287% kept HA LEU 123 - HD21 ASN 69 20.000% * 12.2427% (0.24 0.02 0.02) = 12.243% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 935 (3.33, 7.59, 115.08 ppm): 6 chemical-shift based assignments, quality = 0.904, support = 2.23, residual support = 7.76: QB PHE 55 - HN ILE 56 16.667% * 56.5733% (0.92 3.25 13.49) = 56.573% kept HD2 ARG+ 54 - HN ILE 56 16.667% * 21.4452% (0.84 1.36 0.42) = 21.445% kept HB3 CYS 53 - HN ILE 56 16.667% * 11.8018% (0.92 0.68 0.12) = 11.802% kept HD3 PRO 93 - HN ILE 56 16.667% * 5.3522% (1.00 0.29 0.11) = 5.352% kept HD3 PRO 68 - HN ILE 56 16.667% * 3.2194% (0.98 0.17 0.02) = 3.219% kept HB2 PHE 59 - HN ILE 56 16.667% * 1.6081% (0.55 0.16 0.95) = 1.608% kept Peak 936 (1.89, 7.59, 115.08 ppm): 7 chemical-shift based assignments, quality = 0.719, support = 4.46, residual support = 73.2: O HB ILE 56 - HN ILE 56 14.286% * 91.5440% (0.73 10.0 4.72 79.89) = 91.544% kept HB3 PRO 58 - HN ILE 56 14.286% * 7.1252% (0.61 1.0 1.86 0.14) = 7.125% kept HB3 GLN 30 - HN ILE 56 14.286% * 1.0653% (1.00 1.0 0.17 1.05) = 1.065% kept HB3 LYS+ 38 - HN ILE 56 14.286% * 0.1164% (0.92 1.0 0.02 0.02) = 0.116% HB2 MET 92 - HN ILE 56 14.286% * 0.1113% (0.88 1.0 0.02 0.02) = 0.111% QB LYS+ 106 - HN ILE 56 14.286% * 0.0207% (0.16 1.0 0.02 0.02) = 0.021% QB LYS+ 81 - HN ILE 56 14.286% * 0.0171% (0.14 1.0 0.02 0.02) = 0.017% Peak 937 (1.71, 7.59, 115.08 ppm): 6 chemical-shift based assignments, quality = 0.702, support = 4.59, residual support = 75.9: QG1 ILE 56 - HN ILE 56 16.667% * 94.9331% (0.73 4.82 79.89) = 94.933% kept HB2 LEU 73 - HN ILE 56 16.667% * 3.9902% (0.32 0.45 0.36) = 3.990% kept QD LYS+ 99 - HN ILE 56 16.667% * 0.3619% (0.67 0.02 0.02) = 0.362% QD LYS+ 106 - HN ILE 56 16.667% * 0.3291% (0.61 0.02 0.02) = 0.329% HB3 LYS+ 99 - HN ILE 56 16.667% * 0.2963% (0.55 0.02 0.02) = 0.296% HB3 MET 92 - HN ILE 56 16.667% * 0.0893% (0.16 0.02 0.02) = 0.089% Peak 938 (1.45, 7.59, 115.08 ppm): 7 chemical-shift based assignments, quality = 0.707, support = 0.842, residual support = 0.452: HG LEU 40 - HN ILE 56 14.286% * 48.7019% (0.84 1.22 0.82) = 48.702% kept HG LEU 67 - HN ILE 56 14.286% * 19.0097% (0.67 0.60 0.02) = 19.010% kept HG LEU 73 - HN ILE 56 14.286% * 13.3171% (0.78 0.36 0.36) = 13.317% kept QG LYS+ 66 - HN ILE 56 14.286% * 11.2718% (0.49 0.48 0.02) = 11.272% kept HB3 LEU 67 - HN ILE 56 14.286% * 6.0193% (0.24 0.53 0.02) = 6.019% kept HG2 LYS+ 102 - HN ILE 56 14.286% * 0.8820% (0.92 0.02 0.02) = 0.882% HB3 LEU 115 - HN ILE 56 14.286% * 0.7981% (0.84 0.02 0.02) = 0.798% Peak 939 (1.27, 7.59, 115.08 ppm): 6 chemical-shift based assignments, quality = 0.957, support = 5.15, residual support = 68.8: QG2 ILE 56 - HN ILE 56 16.667% * 86.1485% (1.00 5.88 79.89) = 86.148% kept HG3 LYS+ 38 - HN ILE 56 16.667% * 6.1016% (0.88 0.47 0.02) = 6.102% kept QG2 THR 39 - HN ILE 56 16.667% * 6.0929% (0.49 0.85 0.02) = 6.093% kept QB ALA 34 - HN ILE 56 16.667% * 1.4042% (0.88 0.11 0.02) = 1.404% kept QB ALA 91 - HN ILE 56 16.667% * 0.1427% (0.49 0.02 0.02) = 0.143% QG2 THR 23 - HN ILE 56 16.667% * 0.1100% (0.38 0.02 0.02) = 0.110% Peak 941 (3.34, 7.87, 121.30 ppm): 12 chemical-shift based assignments, quality = 0.814, support = 5.4, residual support = 64.3: HD2 ARG+ 54 - HN ARG+ 54 8.333% * 46.6317% (0.88 6.76 116.05) = 46.632% kept HB3 CYS 53 - HN ARG+ 54 8.333% * 35.6428% (0.87 5.27 27.19) = 35.643% kept QB PHE 55 - HN ARG+ 54 8.333% * 11.2657% (0.54 2.69 4.02) = 11.266% kept HD3 PRO 68 - HN ARG+ 54 8.333% * 5.1793% (0.64 1.03 0.97) = 5.179% kept HB3 CYS 53 - HN ASP- 62 8.333% * 1.0862% (0.10 1.38 0.84) = 1.086% kept HD3 PRO 93 - HN ARG+ 54 8.333% * 0.1080% (0.69 0.02 0.02) = 0.108% HB2 PHE 59 - HN ARG+ 54 8.333% * 0.0325% (0.21 0.02 0.02) = 0.033% HD2 ARG+ 54 - HN ASP- 62 8.333% * 0.0161% (0.10 0.02 0.02) = 0.016% HD3 PRO 93 - HN ASP- 62 8.333% * 0.0126% (0.08 0.02 0.02) = 0.013% HD3 PRO 68 - HN ASP- 62 8.333% * 0.0117% (0.07 0.02 0.02) = 0.012% QB PHE 55 - HN ASP- 62 8.333% * 0.0097% (0.06 0.02 0.02) = 0.010% HB2 PHE 59 - HN ASP- 62 8.333% * 0.0038% (0.02 0.02 1.23) = 0.004% Peak 944 (2.03, 7.87, 121.30 ppm): 18 chemical-shift based assignments, quality = 0.633, support = 1.28, residual support = 0.841: HB3 PRO 68 - HN ARG+ 54 5.556% * 36.7547% (0.87 1.30 0.97) = 36.755% kept HG3 GLN 30 - HN ARG+ 54 5.556% * 28.4381% (0.64 1.36 0.97) = 28.438% kept HB2 LYS+ 111 - HN ARG+ 54 5.556% * 18.8530% (0.54 1.08 0.43) = 18.853% kept HB2 GLN 30 - HN ARG+ 54 5.556% * 13.1968% (0.25 1.65 0.97) = 13.197% kept HB2 LYS+ 111 - HN ASP- 62 5.556% * 0.8686% (0.06 0.43 0.02) = 0.869% HB3 PRO 68 - HN ASP- 62 5.556% * 0.6220% (0.10 0.19 0.02) = 0.622% QB GLU- 15 - HN ARG+ 54 5.556% * 0.2808% (0.43 0.02 0.02) = 0.281% HB2 GLN 17 - HN ARG+ 54 5.556% * 0.2808% (0.43 0.02 0.02) = 0.281% HB3 GLU- 100 - HN ARG+ 54 5.556% * 0.2165% (0.33 0.02 0.02) = 0.216% HB ILE 119 - HN ARG+ 54 5.556% * 0.1604% (0.25 0.02 0.02) = 0.160% HB3 GLU- 25 - HN ARG+ 54 5.556% * 0.1360% (0.21 0.02 0.02) = 0.136% HG3 GLN 30 - HN ASP- 62 5.556% * 0.0487% (0.07 0.02 0.02) = 0.049% HB2 GLN 17 - HN ASP- 62 5.556% * 0.0327% (0.05 0.02 0.02) = 0.033% QB GLU- 15 - HN ASP- 62 5.556% * 0.0327% (0.05 0.02 0.02) = 0.033% HB3 GLU- 100 - HN ASP- 62 5.556% * 0.0252% (0.04 0.02 0.02) = 0.025% HB ILE 119 - HN ASP- 62 5.556% * 0.0187% (0.03 0.02 0.02) = 0.019% HB2 GLN 30 - HN ASP- 62 5.556% * 0.0187% (0.03 0.02 0.02) = 0.019% HB3 GLU- 25 - HN ASP- 62 5.556% * 0.0158% (0.02 0.02 0.02) = 0.016% Peak 945 (1.86, 7.87, 121.30 ppm): 18 chemical-shift based assignments, quality = 0.838, support = 4.67, residual support = 89.1: HG2 ARG+ 54 - HN ARG+ 54 5.556% * 76.6582% (0.87 5.91 116.05) = 76.658% kept HG3 PRO 68 - HN ARG+ 54 5.556% * 9.4905% (0.81 0.78 0.97) = 9.491% kept QB LYS+ 33 - HN ARG+ 54 5.556% * 7.2485% (0.87 0.56 0.67) = 7.249% kept QB LYS+ 81 - HN ARG+ 54 5.556% * 4.7593% (0.74 0.43 0.02) = 4.759% kept HG2 ARG+ 54 - HN ASP- 62 5.556% * 0.3806% (0.10 0.25 0.02) = 0.381% HG3 PRO 68 - HN ASP- 62 5.556% * 0.2686% (0.09 0.19 0.02) = 0.269% HB3 ASP- 105 - HN ARG+ 54 5.556% * 0.2632% (0.88 0.02 0.02) = 0.263% HB ILE 103 - HN ARG+ 54 5.556% * 0.2529% (0.84 0.02 0.02) = 0.253% HB3 GLN 90 - HN ARG+ 54 5.556% * 0.2442% (0.81 0.02 0.02) = 0.244% QB LYS+ 106 - HN ARG+ 54 5.556% * 0.2070% (0.69 0.02 0.02) = 0.207% HB ILE 56 - HN ARG+ 54 5.556% * 0.0523% (0.17 0.02 0.42) = 0.052% HB3 ASP- 105 - HN ASP- 62 5.556% * 0.0306% (0.10 0.02 0.02) = 0.031% QB LYS+ 33 - HN ASP- 62 5.556% * 0.0302% (0.10 0.02 0.02) = 0.030% HB ILE 103 - HN ASP- 62 5.556% * 0.0294% (0.10 0.02 0.02) = 0.029% HB3 GLN 90 - HN ASP- 62 5.556% * 0.0284% (0.09 0.02 0.02) = 0.028% QB LYS+ 81 - HN ASP- 62 5.556% * 0.0257% (0.09 0.02 0.02) = 0.026% QB LYS+ 106 - HN ASP- 62 5.556% * 0.0241% (0.08 0.02 0.02) = 0.024% HB ILE 56 - HN ASP- 62 5.556% * 0.0061% (0.02 0.02 0.02) = 0.006% Peak 946 (1.42, 7.87, 121.30 ppm): 18 chemical-shift based assignments, quality = 0.62, support = 0.782, residual support = 0.817: HG LEU 80 - HN ARG+ 54 5.556% * 31.2261% (0.88 0.56 0.02) = 31.226% kept QB ALA 110 - HN ARG+ 54 5.556% * 22.7543% (0.88 0.40 0.02) = 22.754% kept HB3 LEU 67 - HN ARG+ 54 5.556% * 15.2708% (0.54 0.45 0.23) = 15.271% kept QB ALA 61 - HN ASP- 62 5.556% * 15.0255% (0.09 2.75 5.09) = 15.026% kept HB2 LEU 80 - HN ARG+ 54 5.556% * 7.3118% (0.38 0.30 0.02) = 7.312% kept QG LYS+ 66 - HN ARG+ 54 5.556% * 4.7386% (0.29 0.26 0.13) = 4.739% kept HG12 ILE 19 - HN ARG+ 54 5.556% * 1.1036% (0.87 0.02 0.02) = 1.104% kept QB ALA 61 - HN ARG+ 54 5.556% * 0.9405% (0.74 0.02 0.02) = 0.940% QB ALA 110 - HN ASP- 62 5.556% * 0.6468% (0.10 0.10 0.02) = 0.647% HD3 LYS+ 121 - HN ARG+ 54 5.556% * 0.2654% (0.21 0.02 0.02) = 0.265% HB3 LYS+ 74 - HN ARG+ 54 5.556% * 0.2228% (0.17 0.02 0.02) = 0.223% HG LEU 80 - HN ASP- 62 5.556% * 0.1304% (0.10 0.02 0.02) = 0.130% HG12 ILE 19 - HN ASP- 62 5.556% * 0.1284% (0.10 0.02 0.02) = 0.128% HB3 LEU 67 - HN ASP- 62 5.556% * 0.0795% (0.06 0.02 0.02) = 0.079% HB2 LEU 80 - HN ASP- 62 5.556% * 0.0563% (0.04 0.02 0.02) = 0.056% QG LYS+ 66 - HN ASP- 62 5.556% * 0.0425% (0.03 0.02 0.02) = 0.043% HD3 LYS+ 121 - HN ASP- 62 5.556% * 0.0309% (0.02 0.02 0.02) = 0.031% HB3 LYS+ 74 - HN ASP- 62 5.556% * 0.0259% (0.02 0.02 0.02) = 0.026% Peak 947 (3.96, 9.57, 121.38 ppm): 8 chemical-shift based assignments, quality = 0.193, support = 2.16, residual support = 7.14: O HA2 GLY 51 - HN GLY 51 12.500% * 97.6496% (0.20 10.0 2.21 7.31) = 97.650% kept QB SER 85 - HN GLY 51 12.500% * 0.4555% (0.92 1.0 0.02 0.02) = 0.455% HA2 GLY 16 - HN GLY 51 12.500% * 0.4555% (0.92 1.0 0.02 0.02) = 0.455% HA ALA 120 - HN GLY 51 12.500% * 0.4355% (0.88 1.0 0.02 0.02) = 0.435% HA LYS+ 65 - HN GLY 51 12.500% * 0.4121% (0.84 1.0 0.02 0.02) = 0.412% QB SER 48 - HN GLY 51 12.500% * 0.2695% (0.55 1.0 0.02 0.02) = 0.269% HB THR 94 - HN GLY 51 12.500% * 0.1852% (0.38 1.0 0.02 0.02) = 0.185% HA LYS+ 121 - HN GLY 51 12.500% * 0.1372% (0.28 1.0 0.02 0.02) = 0.137% Peak 948 (2.79, 6.60, 121.96 ppm): 3 chemical-shift based assignments, quality = 0.428, support = 1.59, residual support = 6.44: O QB CYS 50 - HN CYS 50 33.333% * 99.6652% (0.43 10.0 1.60 6.46) = 99.665% kept HB3 ASP- 78 - HN CYS 50 33.333% * 0.1935% (0.67 1.0 0.02 0.02) = 0.194% QE LYS+ 74 - HN CYS 50 33.333% * 0.1412% (0.49 1.0 0.02 0.02) = 0.141% Peak 949 (0.39, 6.60, 121.96 ppm): 3 chemical-shift based assignments, quality = 0.316, support = 1.39, residual support = 1.65: QB ALA 47 - HN CYS 50 33.333% * 51.2257% (0.28 1.90 2.82) = 51.226% kept QB ALA 64 - HN CYS 50 33.333% * 28.9780% (0.49 0.61 0.45) = 28.978% kept QG1 VAL 42 - HN CYS 50 33.333% * 19.7963% (0.16 1.24 0.40) = 19.796% kept Peak 950 (3.96, 6.63, 116.57 ppm): 7 chemical-shift based assignments, quality = 0.372, support = 2.61, residual support = 9.52: QB SER 48 - HN TRP 49 14.286% * 70.5547% (0.16 3.63 13.49) = 70.555% kept QB SER 85 - HN TRP 49 14.286% * 22.6477% (0.92 0.21 0.02) = 22.648% kept HA LYS+ 65 - HN TRP 49 14.286% * 2.3194% (0.98 0.02 0.02) = 2.319% kept HA2 GLY 16 - HN TRP 49 14.286% * 2.1844% (0.92 0.02 0.02) = 2.184% kept HA ALA 120 - HN TRP 49 14.286% * 1.0165% (0.43 0.02 0.02) = 1.016% kept HD2 PRO 52 - HN TRP 49 14.286% * 0.8881% (0.38 0.02 0.02) = 0.888% HA GLN 32 - HN TRP 49 14.286% * 0.3892% (0.16 0.02 0.02) = 0.389% Peak 952 (3.15, 6.63, 116.57 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 4.0, residual support = 69.7: O HB3 TRP 49 - HN TRP 49 50.000% * 99.8902% (0.61 10.0 4.00 69.82) = 99.890% kept HB3 PHE 59 - HN TRP 49 50.000% * 0.1098% (0.67 1.0 0.02 0.02) = 0.110% Peak 954 (3.96, 9.44, 119.76 ppm): 7 chemical-shift based assignments, quality = 0.236, support = 2.33, residual support = 9.03: O QB SER 48 - HN SER 48 14.286% * 88.6869% (0.16 10.0 2.59 10.18) = 88.687% kept QB SER 85 - HN SER 48 14.286% * 9.7641% (0.92 1.0 0.39 0.02) = 9.764% kept HA LYS+ 65 - HN SER 48 14.286% * 0.5285% (0.98 1.0 0.02 0.02) = 0.529% HA2 GLY 16 - HN SER 48 14.286% * 0.4978% (0.92 1.0 0.02 0.02) = 0.498% HA ALA 120 - HN SER 48 14.286% * 0.2316% (0.43 1.0 0.02 0.02) = 0.232% HD2 PRO 52 - HN SER 48 14.286% * 0.2024% (0.38 1.0 0.02 0.02) = 0.202% HA GLN 32 - HN SER 48 14.286% * 0.0887% (0.16 1.0 0.02 0.02) = 0.089% Peak 955 (0.38, 9.44, 119.76 ppm): 3 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 3.56: QB ALA 47 - HN SER 48 33.333% * 81.1709% (0.78 3.41 4.34) = 81.171% kept QG1 VAL 42 - HN SER 48 33.333% * 18.7290% (0.61 1.02 0.21) = 18.729% kept HG2 LYS+ 112 - HN SER 48 33.333% * 0.1001% (0.16 0.02 0.02) = 0.100% Peak 957 (3.40, 7.01, 120.97 ppm): 2 chemical-shift based assignments, quality = 0.613, support = 0.02, residual support = 0.02: HB2 PHE 60 - HN ALA 47 50.000% * 54.9834% (0.67 0.02 0.02) = 54.983% kept HB2 TRP 87 - HN ALA 47 50.000% * 45.0166% (0.55 0.02 0.02) = 45.017% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 958 (2.79, 7.01, 120.97 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 0.741, residual support = 1.93: QB CYS 50 - HN ALA 47 25.000% * 65.1150% (0.92 0.70 2.82) = 65.115% kept HB3 ASN 69 - HN ALA 47 25.000% * 32.5739% (0.38 0.87 0.28) = 32.574% kept QE LYS+ 74 - HN ALA 47 25.000% * 1.9147% (0.96 0.02 0.02) = 1.915% kept HB3 ASP- 78 - HN ALA 47 25.000% * 0.3964% (0.20 0.02 0.16) = 0.396% Peak 959 (0.74, 7.01, 120.97 ppm): 6 chemical-shift based assignments, quality = 0.907, support = 2.34, residual support = 3.88: QG2 THR 46 - HN ALA 47 16.667% * 92.2763% (0.92 2.53 4.20) = 92.276% kept QG2 VAL 18 - HN ALA 47 16.667% * 3.8777% (0.78 0.13 0.02) = 3.878% kept QD1 ILE 19 - HN ALA 47 16.667% * 2.8212% (0.88 0.08 0.02) = 2.821% kept QD2 LEU 104 - HN ALA 47 16.667% * 0.5280% (0.67 0.02 0.02) = 0.528% QG1 VAL 43 - HN ALA 47 16.667% * 0.3401% (0.43 0.02 0.02) = 0.340% QG1 VAL 41 - HN ALA 47 16.667% * 0.1567% (0.20 0.02 0.02) = 0.157% Peak 960 (0.39, 7.01, 120.97 ppm): 3 chemical-shift based assignments, quality = 0.277, support = 1.86, residual support = 8.0: O QB ALA 47 - HN ALA 47 33.333% * 99.7495% (0.28 10.0 1.87 8.02) = 99.750% kept QB ALA 64 - HN ALA 47 33.333% * 0.1872% (0.49 1.0 0.02 0.02) = 0.187% QG1 VAL 42 - HN ALA 47 33.333% * 0.0633% (0.16 1.0 0.02 0.02) = 0.063% Peak 961 (3.47, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.289, support = 0.456, residual support = 0.582: HB2 HIS 122 - HN THR 46 50.000% * 73.8432% (0.20 0.59 0.78) = 73.843% kept HA LYS+ 112 - HN THR 46 50.000% * 26.1568% (0.55 0.08 0.02) = 26.157% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 962 (1.32, 8.46, 117.19 ppm): 6 chemical-shift based assignments, quality = 0.667, support = 1.04, residual support = 1.6: QG2 THR 77 - HN THR 46 16.667% * 30.8992% (0.32 2.16 4.98) = 30.899% kept QB ALA 88 - HN THR 46 16.667% * 25.5701% (0.88 0.66 0.11) = 25.570% kept HG2 LYS+ 38 - HN THR 46 16.667% * 21.1998% (0.92 0.52 0.15) = 21.200% kept HG2 LYS+ 99 - HN THR 46 16.667% * 16.0389% (0.78 0.46 0.02) = 16.039% kept HG2 LYS+ 111 - HN THR 46 16.667% * 5.2988% (0.38 0.32 0.02) = 5.299% kept HB2 LEU 31 - HN THR 46 16.667% * 0.9931% (0.28 0.08 0.02) = 0.993% Peak 963 (1.03, 8.46, 117.19 ppm): 3 chemical-shift based assignments, quality = 0.744, support = 0.0777, residual support = 0.02: QD1 ILE 119 - HN THR 46 33.333% * 63.2476% (0.61 0.11 0.02) = 63.248% kept QG2 VAL 108 - HN THR 46 33.333% * 18.3762% (0.98 0.02 0.02) = 18.376% kept HB2 LEU 104 - HN THR 46 33.333% * 18.3762% (0.98 0.02 0.02) = 18.376% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 964 (0.75, 8.46, 117.19 ppm): 6 chemical-shift based assignments, quality = 0.912, support = 2.26, residual support = 14.8: QG2 THR 46 - HN THR 46 16.667% * 61.2568% (0.92 2.89 23.52) = 61.257% kept QG2 VAL 18 - HN THR 46 16.667% * 32.4354% (1.00 1.42 0.94) = 32.435% kept QD1 ILE 19 - HN THR 46 16.667% * 5.5152% (0.43 0.56 2.20) = 5.515% kept QG1 VAL 43 - HN THR 46 16.667% * 0.4055% (0.88 0.02 0.02) = 0.406% QG1 VAL 41 - HN THR 46 16.667% * 0.2787% (0.61 0.02 0.02) = 0.279% QD2 LEU 104 - HN THR 46 16.667% * 0.1083% (0.24 0.02 0.02) = 0.108% Peak 965 (0.45, 8.46, 117.19 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 0.876, residual support = 0.541: QG1 VAL 75 - HN THR 46 50.000% * 77.6455% (0.84 1.00 0.65) = 77.645% kept QD1 LEU 115 - HN THR 46 50.000% * 22.3545% (0.55 0.44 0.15) = 22.355% kept Peak 966 (3.96, 8.74, 125.75 ppm): 8 chemical-shift based assignments, quality = 0.6, support = 1.68, residual support = 8.05: HB THR 94 - HN PHE 45 12.500% * 52.9191% (0.38 2.94 15.13) = 52.919% kept QB SER 85 - HN PHE 45 12.500% * 15.4844% (0.92 0.35 0.25) = 15.484% kept HA2 GLY 16 - HN PHE 45 12.500% * 10.1878% (0.92 0.23 0.02) = 10.188% kept HA ALA 120 - HN PHE 45 12.500% * 9.8497% (0.88 0.23 0.02) = 9.850% kept HA LYS+ 65 - HN PHE 45 12.500% * 8.4672% (0.84 0.21 0.02) = 8.467% kept HA LYS+ 121 - HN PHE 45 12.500% * 2.3790% (0.28 0.18 0.02) = 2.379% kept QB SER 48 - HN PHE 45 12.500% * 0.5231% (0.55 0.02 0.02) = 0.523% HA2 GLY 51 - HN PHE 45 12.500% * 0.1896% (0.20 0.02 0.02) = 0.190% Peak 967 (3.06, 8.74, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.975, support = 3.43, residual support = 54.8: O HB2 PHE 45 - HN PHE 45 33.333% * 99.4199% (0.98 10.0 3.45 55.08) = 99.420% kept QE LYS+ 111 - HN PHE 45 33.333% * 0.5634% (0.96 1.0 0.12 1.41) = 0.563% HB2 CYS 21 - HN PHE 45 33.333% * 0.0167% (0.16 1.0 0.02 0.02) = 0.017% Peak 968 (2.43, 8.74, 125.75 ppm): 5 chemical-shift based assignments, quality = 0.72, support = 3.73, residual support = 54.6: O HB3 PHE 45 - HN PHE 45 20.000% * 99.2041% (0.73 10.0 3.76 55.08) = 99.204% kept QE LYS+ 112 - HN PHE 45 20.000% * 0.5764% (0.73 1.0 0.12 0.45) = 0.576% HG2 GLU- 29 - HN PHE 45 20.000% * 0.1141% (0.84 1.0 0.02 0.02) = 0.114% HB3 ASP- 86 - HN PHE 45 20.000% * 0.0829% (0.61 1.0 0.02 0.02) = 0.083% HB VAL 107 - HN PHE 45 20.000% * 0.0225% (0.16 1.0 0.02 0.02) = 0.022% Peak 969 (1.33, 8.74, 125.75 ppm): 8 chemical-shift based assignments, quality = 0.676, support = 1.47, residual support = 2.25: HG2 LYS+ 38 - HN PHE 45 12.500% * 20.2656% (0.92 0.86 0.59) = 20.266% kept HB3 ASP- 44 - HN PHE 45 12.500% * 19.8657% (0.20 3.92 7.79) = 19.866% kept HG2 LYS+ 99 - HN PHE 45 12.500% * 19.1653% (1.00 0.75 0.54) = 19.165% kept QB ALA 88 - HN PHE 45 12.500% * 15.4590% (0.43 1.41 1.37) = 15.459% kept HB2 LEU 31 - HN PHE 45 12.500% * 13.4915% (0.73 0.73 0.81) = 13.491% kept HG2 LYS+ 111 - HN PHE 45 12.500% * 11.3379% (0.84 0.53 1.41) = 11.338% kept HB3 LEU 80 - HN PHE 45 12.500% * 0.2490% (0.49 0.02 0.02) = 0.249% HB2 LEU 63 - HN PHE 45 12.500% * 0.1661% (0.32 0.02 0.02) = 0.166% Peak 970 (0.08, 8.74, 125.75 ppm): 3 chemical-shift based assignments, quality = 0.751, support = 0.995, residual support = 3.27: QG2 VAL 83 - HN PHE 45 33.333% * 35.2550% (0.96 0.80 2.96) = 35.255% kept QD2 LEU 31 - HN PHE 45 33.333% * 34.4546% (0.67 1.12 0.81) = 34.455% kept QD1 ILE 89 - HN PHE 45 33.333% * 30.2903% (0.61 1.08 6.43) = 30.290% kept Peak 971 (2.42, 8.46, 117.19 ppm): 5 chemical-shift based assignments, quality = 0.982, support = 3.02, residual support = 5.19: HB3 PHE 45 - HN THR 46 20.000% * 90.5708% (1.00 3.32 5.73) = 90.571% kept QE LYS+ 112 - HN THR 46 20.000% * 6.5675% (1.00 0.24 0.02) = 6.568% kept HB VAL 107 - HN THR 46 20.000% * 2.5932% (0.61 0.16 0.02) = 2.593% kept HG2 GLU- 29 - HN THR 46 20.000% * 0.1782% (0.32 0.02 0.02) = 0.178% HB3 ASP- 86 - HN THR 46 20.000% * 0.0903% (0.16 0.02 0.02) = 0.090% Peak 973 (6.59, 8.09, 110.83 ppm): 2 chemical-shift based assignments, quality = 0.824, support = 0.857, residual support = 3.25: HN CYS 50 - HN CYS 53 50.000% * 50.2342% (0.73 0.96 4.30) = 50.234% kept HN VAL 83 - HN CYS 53 50.000% * 49.7658% (0.92 0.75 2.19) = 49.766% kept Peak 974 (4.53, 8.09, 110.83 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 7.4, residual support = 34.2: O HA PRO 52 - HN CYS 53 50.000% * 99.6945% (0.32 10.0 7.42 34.32) = 99.694% kept HA LYS+ 111 - HN CYS 53 50.000% * 0.3055% (1.00 1.0 0.02 0.02) = 0.306% Peak 975 (4.16, 8.09, 110.83 ppm): 4 chemical-shift based assignments, quality = 0.782, support = 4.33, residual support = 38.3: O HA CYS 53 - HN CYS 53 25.000% * 99.8652% (0.78 10.0 4.34 38.40) = 99.865% kept HA THR 26 - HN CYS 53 25.000% * 0.0697% (0.55 1.0 0.02 0.02) = 0.070% HA ILE 19 - HN CYS 53 25.000% * 0.0479% (0.38 1.0 0.02 0.02) = 0.048% HA GLU- 114 - HN CYS 53 25.000% * 0.0173% (0.14 1.0 0.02 0.02) = 0.017% Peak 976 (3.96, 8.09, 110.83 ppm): 8 chemical-shift based assignments, quality = 0.277, support = 2.53, residual support = 2.03: HA2 GLY 51 - HN CYS 53 12.500% * 85.9185% (0.20 2.94 2.36) = 85.919% kept QB SER 85 - HN CYS 53 12.500% * 2.7289% (0.92 0.02 0.02) = 2.729% kept HA2 GLY 16 - HN CYS 53 12.500% * 2.7289% (0.92 0.02 0.02) = 2.729% kept HA ALA 120 - HN CYS 53 12.500% * 2.6088% (0.88 0.02 0.02) = 2.609% kept HA LYS+ 65 - HN CYS 53 12.500% * 2.4692% (0.84 0.02 0.02) = 2.469% kept QB SER 48 - HN CYS 53 12.500% * 1.6143% (0.55 0.02 0.02) = 1.614% kept HB THR 94 - HN CYS 53 12.500% * 1.1095% (0.38 0.02 0.02) = 1.109% kept HA LYS+ 121 - HN CYS 53 12.500% * 0.8219% (0.28 0.02 0.02) = 0.822% Peak 977 (3.82, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.89, support = 4.56, residual support = 37.6: O HB2 CYS 53 - HN CYS 53 16.667% * 90.7231% (0.96 10.0 4.46 38.40) = 90.723% kept HD3 PRO 52 - HN CYS 53 16.667% * 8.1938% (0.28 1.0 6.21 34.32) = 8.194% kept HA VAL 83 - HN CYS 53 16.667% * 0.9895% (0.28 1.0 0.75 2.19) = 0.989% HD2 PRO 58 - HN CYS 53 16.667% * 0.0356% (0.38 1.0 0.02 0.02) = 0.036% HA GLN 30 - HN CYS 53 16.667% * 0.0356% (0.38 1.0 0.02 0.02) = 0.036% HA GLU- 100 - HN CYS 53 16.667% * 0.0224% (0.24 1.0 0.02 0.02) = 0.022% Peak 978 (3.33, 8.09, 110.83 ppm): 6 chemical-shift based assignments, quality = 0.903, support = 5.07, residual support = 35.3: O HB3 CYS 53 - HN CYS 53 16.667% * 81.1520% (0.92 10.0 5.46 38.40) = 81.152% kept HD2 ARG+ 54 - HN CYS 53 16.667% * 15.1488% (0.84 1.0 4.13 27.19) = 15.149% kept QB PHE 55 - HN CYS 53 16.667% * 2.9142% (0.92 1.0 0.72 0.20) = 2.914% kept HB2 PHE 59 - HN CYS 53 16.667% * 0.6113% (0.55 1.0 0.25 0.02) = 0.611% HD3 PRO 93 - HN CYS 53 16.667% * 0.0875% (1.00 1.0 0.02 0.02) = 0.087% HD3 PRO 68 - HN CYS 53 16.667% * 0.0862% (0.98 1.0 0.02 0.02) = 0.086% Peak 979 (2.79, 8.09, 110.83 ppm): 3 chemical-shift based assignments, quality = 0.471, support = 2.05, residual support = 2.94: QB CYS 50 - HN CYS 53 33.333% * 61.2236% (0.43 2.78 4.30) = 61.224% kept QE LYS+ 74 - HN CYS 53 33.333% * 28.0155% (0.49 1.12 1.11) = 28.016% kept HB3 ASP- 78 - HN CYS 53 33.333% * 10.7609% (0.67 0.31 0.02) = 10.761% kept Peak 980 (2.30, 8.09, 110.83 ppm): 5 chemical-shift based assignments, quality = 0.44, support = 0.0632, residual support = 0.02: HB2 GLU- 79 - HN CYS 53 20.000% * 46.3478% (0.32 0.11 0.02) = 46.348% kept QB MET 11 - HN CYS 53 20.000% * 15.2904% (0.61 0.02 0.02) = 15.290% kept HG2 MET 92 - HN CYS 53 20.000% * 13.7664% (0.55 0.02 0.02) = 13.766% kept HG3 GLU- 36 - HN CYS 53 20.000% * 13.7664% (0.55 0.02 0.02) = 13.766% kept QG GLU- 114 - HN CYS 53 20.000% * 10.8290% (0.43 0.02 0.02) = 10.829% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 981 (2.08, 8.09, 110.83 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 6.18, residual support = 30.6: HG3 PRO 52 - HN CYS 53 25.000% * 89.2330% (0.96 6.84 34.32) = 89.233% kept HG2 MET 11 - HN CYS 53 25.000% * 10.2345% (1.00 0.75 0.02) = 10.234% kept HB2 GLU- 14 - HN CYS 53 25.000% * 0.2716% (1.00 0.02 0.02) = 0.272% HG2 PRO 58 - HN CYS 53 25.000% * 0.2609% (0.96 0.02 0.02) = 0.261% Peak 982 (1.85, 8.09, 110.83 ppm): 10 chemical-shift based assignments, quality = 0.491, support = 5.66, residual support = 30.8: O HB3 PRO 52 - HN CYS 53 10.000% * 70.0251% (0.38 10.0 6.85 34.32) = 70.025% kept HG2 ARG+ 54 - HN CYS 53 10.000% * 24.9430% (0.78 1.0 3.42 27.19) = 24.943% kept HG3 PRO 68 - HN CYS 53 10.000% * 2.6622% (0.88 1.0 0.32 0.02) = 2.662% kept QB LYS+ 33 - HN CYS 53 10.000% * 1.8157% (0.55 1.0 0.36 0.02) = 1.816% kept HB ILE 103 - HN CYS 53 10.000% * 0.1558% (0.84 1.0 0.02 0.02) = 0.156% HB3 ASP- 105 - HN CYS 53 10.000% * 0.1355% (0.73 1.0 0.02 0.02) = 0.135% HB3 GLN 90 - HN CYS 53 10.000% * 0.0801% (0.43 1.0 0.02 0.02) = 0.080% HG LEU 123 - HN CYS 53 10.000% * 0.0700% (0.38 1.0 0.02 0.02) = 0.070% QB LYS+ 81 - HN CYS 53 10.000% * 0.0606% (0.32 1.0 0.02 0.02) = 0.061% QB LYS+ 106 - HN CYS 53 10.000% * 0.0519% (0.28 1.0 0.02 0.02) = 0.052% Peak 983 (8.05, 7.85, 118.81 ppm): 4 chemical-shift based assignments, quality = 0.632, support = 4.61, residual support = 31.7: T HN GLN 32 - HN LEU 31 25.000% * 90.6889% (0.62 10.00 5.00 34.90) = 90.689% kept HN SER 85 - HN LEU 31 25.000% * 7.2524% (0.93 1.00 1.07 0.28) = 7.252% kept T HN GLN 32 - HN PHE 55 25.000% * 1.5930% (0.15 10.00 0.15 0.02) = 1.593% kept HN SER 85 - HN PHE 55 25.000% * 0.4656% (0.22 1.00 0.29 0.02) = 0.466% Peak 984 (8.29, 7.85, 118.81 ppm): 6 chemical-shift based assignments, quality = 0.383, support = 4.11, residual support = 15.7: T HN GLN 30 - HN LEU 31 16.667% * 55.5935% (0.26 10.00 5.68 27.30) = 55.593% kept HN GLU- 29 - HN LEU 31 16.667% * 23.1257% (0.89 1.00 2.42 0.88) = 23.126% kept T HN GLN 30 - HN PHE 55 16.667% * 13.3185% (0.06 10.00 2.09 2.17) = 13.318% kept HN ASP- 86 - HN LEU 31 16.667% * 6.2400% (0.35 1.00 1.66 0.36) = 6.240% kept HN GLU- 29 - HN PHE 55 16.667% * 1.7044% (0.21 1.00 0.74 0.02) = 1.704% kept HN ASP- 86 - HN PHE 55 16.667% * 0.0180% (0.08 1.00 0.02 0.02) = 0.018% Peak 985 (4.47, 7.84, 118.81 ppm): 8 chemical-shift based assignments, quality = 0.269, support = 2.5, residual support = 12.4: O HA PHE 55 - HN PHE 55 12.500% * 90.4247% (0.26 10.0 2.72 13.64) = 90.425% kept HA ALA 110 - HN PHE 55 12.500% * 3.4490% (0.62 1.0 0.32 0.46) = 3.449% kept HA GLN 90 - HN PHE 55 12.500% * 2.5470% (0.48 1.0 0.30 0.02) = 2.547% kept HA PHE 55 - HN LEU 31 12.500% * 1.7602% (0.11 1.0 0.88 0.13) = 1.760% kept HA GLN 90 - HN LEU 31 12.500% * 1.6104% (0.21 1.0 0.43 0.02) = 1.610% kept HA ALA 110 - HN LEU 31 12.500% * 0.0969% (0.27 1.0 0.02 0.02) = 0.097% HA VAL 107 - HN PHE 55 12.500% * 0.0774% (0.22 1.0 0.02 0.02) = 0.077% HA VAL 107 - HN LEU 31 12.500% * 0.0344% (0.10 1.0 0.02 0.19) = 0.034% Peak 986 (3.33, 7.84, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.734, support = 2.56, residual support = 11.8: O QB PHE 55 - HN PHE 55 8.333% * 82.7659% (0.77 10.0 2.41 13.64) = 82.766% kept HD2 ARG+ 54 - HN PHE 55 8.333% * 12.7885% (0.57 1.0 4.17 4.02) = 12.789% kept HB3 CYS 53 - HN PHE 55 8.333% * 3.5520% (0.66 1.0 1.01 0.20) = 3.552% kept HD3 PRO 93 - HN PHE 55 8.333% * 0.4154% (0.78 1.0 0.10 0.02) = 0.415% HB3 CYS 53 - HN LEU 31 8.333% * 0.1735% (0.29 1.0 0.11 0.02) = 0.173% HD3 PRO 68 - HN PHE 55 8.333% * 0.0844% (0.79 1.0 0.02 0.02) = 0.084% HB2 PHE 59 - HN PHE 55 8.333% * 0.0563% (0.52 1.0 0.02 0.02) = 0.056% HD3 PRO 68 - HN LEU 31 8.333% * 0.0375% (0.35 1.0 0.02 0.02) = 0.038% HD3 PRO 93 - HN LEU 31 8.333% * 0.0373% (0.35 1.0 0.02 0.02) = 0.037% QB PHE 55 - HN LEU 31 8.333% * 0.0368% (0.34 1.0 0.02 0.13) = 0.037% HD2 ARG+ 54 - HN LEU 31 8.333% * 0.0272% (0.25 1.0 0.02 2.80) = 0.027% HB2 PHE 59 - HN LEU 31 8.333% * 0.0250% (0.23 1.0 0.02 0.02) = 0.025% Peak 987 (4.14, 7.84, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.263, support = 1.91, residual support = 3.9: HA ASN 28 - HN LEU 31 8.333% * 48.2194% (0.23 3.37 6.33) = 48.219% kept HA GLU- 114 - HN LEU 31 8.333% * 14.6518% (0.31 0.77 0.02) = 14.652% kept HA ASN 28 - HN PHE 55 8.333% * 9.7740% (0.52 0.30 0.18) = 9.774% kept HA ALA 34 - HN LEU 31 8.333% * 8.4432% (0.32 0.43 9.42) = 8.443% kept HA THR 26 - HN LEU 31 8.333% * 8.0194% (0.13 1.00 0.11) = 8.019% kept HA LEU 115 - HN LEU 31 8.333% * 6.7002% (0.25 0.43 0.31) = 6.700% kept HA1 GLY 101 - HN PHE 55 8.333% * 0.9601% (0.78 0.02 0.02) = 0.960% HA ALA 34 - HN PHE 55 8.333% * 0.8908% (0.73 0.02 0.02) = 0.891% HA GLU- 114 - HN PHE 55 8.333% * 0.8516% (0.69 0.02 0.02) = 0.852% HA LEU 115 - HN PHE 55 8.333% * 0.7007% (0.57 0.02 1.99) = 0.701% HA1 GLY 101 - HN LEU 31 8.333% * 0.4267% (0.35 0.02 0.02) = 0.427% HA THR 26 - HN PHE 55 8.333% * 0.3622% (0.29 0.02 0.02) = 0.362% Peak 988 (3.63, 7.85, 118.81 ppm): 2 chemical-shift based assignments, quality = 0.345, support = 6.26, residual support = 171.6: O HA LEU 31 - HN LEU 31 50.000% * 98.3553% (0.35 10.0 6.35 174.46) = 98.355% kept HA LEU 31 - HN PHE 55 50.000% * 1.6447% (0.08 1.0 1.40 0.13) = 1.645% kept Peak 989 (2.03, 7.84, 118.81 ppm): 20 chemical-shift based assignments, quality = 0.401, support = 3.81, residual support = 16.6: HG3 GLN 30 - HN LEU 31 5.000% * 34.1208% (0.34 5.38 27.30) = 34.121% kept HB2 GLN 30 - HN LEU 31 5.000% * 22.9605% (0.21 5.86 27.30) = 22.961% kept HG3 GLN 30 - HN PHE 55 5.000% * 19.7673% (0.77 1.39 2.17) = 19.767% kept HB2 GLN 30 - HN PHE 55 5.000% * 11.2927% (0.48 1.28 2.17) = 11.293% kept HB2 ARG+ 54 - HN PHE 55 5.000% * 7.6947% (0.16 2.67 4.02) = 7.695% kept HB3 PRO 68 - HN PHE 55 5.000% * 3.0843% (0.57 0.29 0.02) = 3.084% kept HB3 GLU- 100 - HN PHE 55 5.000% * 0.2113% (0.57 0.02 0.02) = 0.211% HB ILE 119 - HN PHE 55 5.000% * 0.1765% (0.48 0.02 0.02) = 0.176% HB3 PRO 68 - HN LEU 31 5.000% * 0.0939% (0.25 0.02 0.02) = 0.094% HB3 GLU- 100 - HN LEU 31 5.000% * 0.0939% (0.25 0.02 0.02) = 0.094% HB2 LYS+ 111 - HN PHE 55 5.000% * 0.0809% (0.22 0.02 0.02) = 0.081% HB VAL 108 - HN PHE 55 5.000% * 0.0809% (0.22 0.02 0.02) = 0.081% HB ILE 119 - HN LEU 31 5.000% * 0.0784% (0.21 0.02 0.02) = 0.078% HB2 GLN 17 - HN PHE 55 5.000% * 0.0576% (0.16 0.02 0.02) = 0.058% QB GLU- 15 - HN PHE 55 5.000% * 0.0576% (0.16 0.02 0.02) = 0.058% HB2 LYS+ 111 - HN LEU 31 5.000% * 0.0359% (0.10 0.02 0.02) = 0.036% HB VAL 108 - HN LEU 31 5.000% * 0.0359% (0.10 0.02 0.02) = 0.036% HB2 ARG+ 54 - HN LEU 31 5.000% * 0.0256% (0.07 0.02 2.80) = 0.026% QB GLU- 15 - HN LEU 31 5.000% * 0.0256% (0.07 0.02 0.02) = 0.026% HB2 GLN 17 - HN LEU 31 5.000% * 0.0256% (0.07 0.02 0.02) = 0.026% Peak 990 (1.34, 7.85, 118.81 ppm): 20 chemical-shift based assignments, quality = 0.631, support = 5.45, residual support = 146.4: O HB2 LEU 31 - HN LEU 31 5.000% * 83.8416% (0.62 10.0 6.33 174.46) = 83.842% kept HB3 LEU 80 - HN LEU 31 5.000% * 4.6582% (0.82 1.0 0.84 3.34) = 4.658% kept QB ALA 84 - HN LEU 31 5.000% * 4.2103% (0.51 1.0 1.23 0.02) = 4.210% kept HB2 LEU 63 - HN LEU 31 5.000% * 3.9928% (0.91 1.0 0.65 0.34) = 3.993% kept HB2 LEU 31 - HN PHE 55 5.000% * 1.4201% (0.15 1.0 1.41 0.13) = 1.420% kept HB3 ASP- 44 - HN LEU 31 5.000% * 1.3322% (0.93 1.0 0.21 0.24) = 1.332% kept QB ALA 124 - HN LEU 31 5.000% * 0.1109% (0.82 1.0 0.02 0.02) = 0.111% HG LEU 98 - HN LEU 31 5.000% * 0.0913% (0.68 1.0 0.02 0.02) = 0.091% HG2 LYS+ 111 - HN LEU 31 5.000% * 0.0686% (0.51 1.0 0.02 0.02) = 0.069% HB3 PRO 93 - HN LEU 31 5.000% * 0.0612% (0.45 1.0 0.02 0.02) = 0.061% HB3 ASP- 44 - HN PHE 55 5.000% * 0.0300% (0.22 1.0 0.02 0.02) = 0.030% HB2 LEU 63 - HN PHE 55 5.000% * 0.0295% (0.22 1.0 0.02 0.02) = 0.030% QB ALA 124 - HN PHE 55 5.000% * 0.0266% (0.20 1.0 0.02 0.02) = 0.027% HB3 LEU 80 - HN PHE 55 5.000% * 0.0266% (0.20 1.0 0.02 1.12) = 0.027% HG2 LYS+ 99 - HN LEU 31 5.000% * 0.0249% (0.18 1.0 0.02 0.02) = 0.025% HG LEU 98 - HN PHE 55 5.000% * 0.0219% (0.16 1.0 0.02 0.02) = 0.022% QB ALA 84 - HN PHE 55 5.000% * 0.0164% (0.12 1.0 0.02 0.02) = 0.016% HG2 LYS+ 111 - HN PHE 55 5.000% * 0.0164% (0.12 1.0 0.02 0.02) = 0.016% HB3 PRO 93 - HN PHE 55 5.000% * 0.0147% (0.11 1.0 0.02 0.02) = 0.015% HG2 LYS+ 99 - HN PHE 55 5.000% * 0.0060% (0.04 1.0 0.02 0.02) = 0.006% Peak 991 (1.13, 7.85, 118.81 ppm): 8 chemical-shift based assignments, quality = 0.713, support = 6.21, residual support = 170.2: O HB3 LEU 31 - HN LEU 31 12.500% * 97.5855% (0.73 10.0 6.34 174.46) = 97.586% kept HB3 LEU 31 - HN PHE 55 12.500% * 1.6602% (0.17 1.0 1.42 0.13) = 1.660% kept HG13 ILE 119 - HN LEU 31 12.500% * 0.5719% (0.78 1.0 0.11 0.02) = 0.572% QB ALA 20 - HN LEU 31 12.500% * 0.0976% (0.73 1.0 0.02 0.02) = 0.098% HG2 LYS+ 121 - HN LEU 31 12.500% * 0.0294% (0.22 1.0 0.02 0.02) = 0.029% HG13 ILE 119 - HN PHE 55 12.500% * 0.0249% (0.19 1.0 0.02 0.02) = 0.025% QB ALA 20 - HN PHE 55 12.500% * 0.0234% (0.17 1.0 0.02 0.02) = 0.023% HG2 LYS+ 121 - HN PHE 55 12.500% * 0.0070% (0.05 1.0 0.02 0.02) = 0.007% Peak 992 (0.79, 7.85, 118.81 ppm): 8 chemical-shift based assignments, quality = 0.466, support = 3.99, residual support = 99.4: HG LEU 31 - HN LEU 31 12.500% * 55.9173% (0.40 6.08 174.46) = 55.917% kept QD1 ILE 56 - HN LEU 31 12.500% * 17.8718% (0.91 0.85 0.12) = 17.872% kept QD1 ILE 56 - HN PHE 55 12.500% * 13.1602% (0.22 2.62 13.49) = 13.160% kept HG3 LYS+ 121 - HN LEU 31 12.500% * 5.2208% (0.40 0.57 0.02) = 5.221% kept QD2 LEU 73 - HN LEU 31 12.500% * 4.2322% (0.62 0.30 0.85) = 4.232% kept HG LEU 31 - HN PHE 55 12.500% * 3.4851% (0.10 1.58 0.13) = 3.485% kept QD2 LEU 73 - HN PHE 55 12.500% * 0.0685% (0.15 0.02 0.02) = 0.068% HG3 LYS+ 121 - HN PHE 55 12.500% * 0.0441% (0.10 0.02 0.02) = 0.044% Peak 993 (0.04, 7.85, 118.81 ppm): 2 chemical-shift based assignments, quality = 0.778, support = 0.02, residual support = 0.78: QG2 VAL 43 - HN LEU 31 50.000% * 80.6732% (0.91 0.02 0.96) = 80.673% kept QG2 VAL 43 - HN PHE 55 50.000% * 19.3268% (0.22 0.02 0.02) = 19.327% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 994 (0.60, 7.85, 118.81 ppm): 12 chemical-shift based assignments, quality = 0.735, support = 0.981, residual support = 1.21: QD2 LEU 115 - HN LEU 31 8.333% * 27.7017% (0.82 1.11 0.31) = 27.702% kept QD2 LEU 80 - HN LEU 31 8.333% * 26.5429% (0.86 1.02 3.34) = 26.543% kept QD1 LEU 104 - HN LEU 31 8.333% * 23.1458% (0.91 0.84 0.33) = 23.146% kept QD1 LEU 63 - HN LEU 31 8.333% * 13.4346% (0.35 1.27 0.34) = 13.435% kept QD1 LEU 73 - HN LEU 31 8.333% * 4.0947% (0.35 0.39 0.85) = 4.095% kept QD2 LEU 115 - HN PHE 55 8.333% * 3.7873% (0.20 0.63 1.99) = 3.787% kept QD2 LEU 80 - HN PHE 55 8.333% * 0.7956% (0.21 0.13 1.12) = 0.796% QG1 VAL 83 - HN LEU 31 8.333% * 0.2121% (0.35 0.02 0.02) = 0.212% QD1 LEU 104 - HN PHE 55 8.333% * 0.1327% (0.22 0.02 0.02) = 0.133% QD1 LEU 63 - HN PHE 55 8.333% * 0.0508% (0.08 0.02 0.02) = 0.051% QD1 LEU 73 - HN PHE 55 8.333% * 0.0508% (0.08 0.02 0.02) = 0.051% QG1 VAL 83 - HN PHE 55 8.333% * 0.0508% (0.08 0.02 0.02) = 0.051% Peak 995 (1.90, 7.85, 118.81 ppm): 10 chemical-shift based assignments, quality = 0.505, support = 4.99, residual support = 20.4: HB3 GLN 30 - HN LEU 31 10.000% * 74.1961% (0.45 6.43 27.30) = 74.196% kept HB3 PRO 58 - HN LEU 31 10.000% * 14.0386% (0.89 0.62 0.02) = 14.039% kept HB2 MET 92 - HN LEU 31 10.000% * 5.7110% (0.68 0.33 0.02) = 5.711% kept HB3 GLN 30 - HN PHE 55 10.000% * 5.5614% (0.11 2.01 2.17) = 5.561% kept HG3 MET 11 - HN LEU 31 10.000% * 0.1318% (0.26 0.02 0.02) = 0.132% HB3 LYS+ 38 - HN LEU 31 10.000% * 0.1118% (0.22 0.02 3.54) = 0.112% HB3 PRO 58 - HN PHE 55 10.000% * 0.1086% (0.21 0.02 0.02) = 0.109% HB2 MET 92 - HN PHE 55 10.000% * 0.0825% (0.16 0.02 0.02) = 0.082% HG3 MET 11 - HN PHE 55 10.000% * 0.0316% (0.06 0.02 0.02) = 0.032% HB3 LYS+ 38 - HN PHE 55 10.000% * 0.0268% (0.05 0.02 0.02) = 0.027% Peak 996 (2.72, 7.85, 118.81 ppm): 4 chemical-shift based assignments, quality = 0.315, support = 4.63, residual support = 18.3: HG2 GLN 30 - HN LEU 31 25.000% * 58.6251% (0.22 6.72 27.30) = 58.625% kept HB3 ASN 28 - HN LEU 31 25.000% * 35.6955% (0.51 1.77 6.33) = 35.695% kept HG2 GLN 30 - HN PHE 55 25.000% * 3.0450% (0.05 1.46 2.17) = 3.045% kept HB3 ASN 28 - HN PHE 55 25.000% * 2.6344% (0.12 0.54 0.18) = 2.634% kept Peak 997 (3.85, 7.85, 118.81 ppm): 14 chemical-shift based assignments, quality = 0.395, support = 5.41, residual support = 25.9: O HA GLN 30 - HN LEU 31 7.143% * 94.5491% (0.40 10.0 5.68 27.30) = 94.549% kept HD3 PRO 52 - HN LEU 31 7.143% * 2.9500% (0.51 1.0 0.49 0.12) = 2.950% kept HA GLN 30 - HN PHE 55 7.143% * 1.7778% (0.10 1.0 1.57 2.17) = 1.778% kept HB3 SER 82 - HN LEU 31 7.143% * 0.2104% (0.89 1.0 0.02 0.02) = 0.210% QB SER 13 - HN LEU 31 7.143% * 0.1202% (0.51 1.0 0.02 0.02) = 0.120% HB THR 39 - HN LEU 31 7.143% * 0.1071% (0.45 1.0 0.02 0.02) = 0.107% HB3 SER 37 - HN LEU 31 7.143% * 0.0612% (0.26 1.0 0.02 0.02) = 0.061% HA ILE 89 - HN LEU 31 7.143% * 0.0612% (0.26 1.0 0.02 0.02) = 0.061% HB3 SER 82 - HN PHE 55 7.143% * 0.0504% (0.21 1.0 0.02 0.02) = 0.050% QB SER 13 - HN PHE 55 7.143% * 0.0288% (0.12 1.0 0.02 0.02) = 0.029% HD3 PRO 52 - HN PHE 55 7.143% * 0.0288% (0.12 1.0 0.02 0.19) = 0.029% HB THR 39 - HN PHE 55 7.143% * 0.0257% (0.11 1.0 0.02 0.02) = 0.026% HA ILE 89 - HN PHE 55 7.143% * 0.0147% (0.06 1.0 0.02 0.02) = 0.015% HB3 SER 37 - HN PHE 55 7.143% * 0.0147% (0.06 1.0 0.02 0.02) = 0.015% Peak 998 (4.13, 7.87, 121.30 ppm): 14 chemical-shift based assignments, quality = 0.348, support = 5.72, residual support = 110.2: O HA ARG+ 54 - HN ARG+ 54 7.143% * 94.9623% (0.33 10.0 6.01 116.05) = 94.962% kept HA ALA 34 - HN ARG+ 54 7.143% * 2.5788% (0.78 1.0 0.23 0.02) = 2.579% kept HA ASN 28 - HN ARG+ 54 7.143% * 1.5688% (0.88 1.0 0.12 0.02) = 1.569% kept HA ALA 124 - HN ARG+ 54 7.143% * 0.2583% (0.21 1.0 0.09 0.02) = 0.258% HA LEU 115 - HN ARG+ 54 7.143% * 0.2518% (0.88 1.0 0.02 1.89) = 0.252% HA1 GLY 101 - HN ARG+ 54 7.143% * 0.1535% (0.54 1.0 0.02 0.02) = 0.153% HA GLU- 114 - HN ARG+ 54 7.143% * 0.0950% (0.33 1.0 0.02 0.02) = 0.095% HA ASN 28 - HN ASP- 62 7.143% * 0.0294% (0.10 1.0 0.02 0.02) = 0.029% HA LEU 115 - HN ASP- 62 7.143% * 0.0293% (0.10 1.0 0.02 0.02) = 0.029% HA ALA 34 - HN ASP- 62 7.143% * 0.0260% (0.09 1.0 0.02 0.02) = 0.026% HA1 GLY 101 - HN ASP- 62 7.143% * 0.0179% (0.06 1.0 0.02 0.02) = 0.018% HA ARG+ 54 - HN ASP- 62 7.143% * 0.0110% (0.04 1.0 0.02 0.02) = 0.011% HA GLU- 114 - HN ASP- 62 7.143% * 0.0110% (0.04 1.0 0.02 0.02) = 0.011% HA ALA 124 - HN ASP- 62 7.143% * 0.0069% (0.02 1.0 0.02 0.02) = 0.007% Peak 1000 (3.68, 6.63, 116.57 ppm): 5 chemical-shift based assignments, quality = 0.952, support = 3.85, residual support = 66.6: O HB2 TRP 49 - HN TRP 49 20.000% * 95.3654% (0.96 10.0 4.00 69.82) = 95.365% kept HA ALA 84 - HN TRP 49 20.000% * 4.0995% (0.98 1.0 0.84 0.02) = 4.099% kept HA ILE 119 - HN TRP 49 20.000% * 0.3578% (0.88 1.0 0.08 0.02) = 0.358% HA THR 118 - HN TRP 49 20.000% * 0.0993% (1.00 1.0 0.02 0.13) = 0.099% HA2 GLY 109 - HN TRP 49 20.000% * 0.0781% (0.78 1.0 0.02 0.02) = 0.078% Peak 1001 (0.37, 11.10, 134.86 ppm): 3 chemical-shift based assignments, quality = 0.964, support = 1.78, residual support = 4.57: QB ALA 47 - HE1 TRP 49 33.333% * 60.5519% (1.00 2.02 6.36) = 60.552% kept QG1 VAL 42 - HE1 TRP 49 33.333% * 39.1893% (0.92 1.41 1.84) = 39.189% kept HG2 LYS+ 112 - HE1 TRP 49 33.333% * 0.2588% (0.43 0.02 0.02) = 0.259% Peak 1002 (0.37, 6.63, 116.57 ppm): 3 chemical-shift based assignments, quality = 0.973, support = 2.65, residual support = 5.1: QB ALA 47 - HN TRP 49 33.333% * 72.1863% (1.00 3.17 6.36) = 72.186% kept QG1 VAL 42 - HN TRP 49 33.333% * 27.6172% (0.92 1.31 1.84) = 27.617% kept HG2 LYS+ 112 - HN TRP 49 33.333% * 0.1965% (0.43 0.02 0.02) = 0.196% Peak 1003 (3.82, 7.01, 120.97 ppm): 5 chemical-shift based assignments, quality = 0.453, support = 0.549, residual support = 0.407: HA GLU- 100 - HN ALA 47 20.000% * 86.7194% (0.43 0.63 0.47) = 86.719% kept HB2 CYS 53 - HN ALA 47 20.000% * 5.0122% (0.78 0.02 0.02) = 5.012% kept HD2 PRO 58 - HN ALA 47 20.000% * 3.8840% (0.61 0.02 0.02) = 3.884% kept HA VAL 83 - HN ALA 47 20.000% * 3.1170% (0.49 0.02 0.02) = 3.117% kept HA GLN 30 - HN ALA 47 20.000% * 1.2673% (0.20 0.02 0.02) = 1.267% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1004 (2.28, 8.78, 123.55 ppm): 6 chemical-shift based assignments, quality = 0.72, support = 2.81, residual support = 32.2: O HB2 ASP- 44 - HN ASP- 44 16.667% * 99.1759% (0.73 10.0 2.83 32.52) = 99.176% kept HB3 PHE 72 - HN ASP- 44 16.667% * 0.4469% (0.55 1.0 0.12 0.02) = 0.447% QG GLU- 15 - HN ASP- 44 16.667% * 0.1205% (0.88 1.0 0.02 0.02) = 0.121% QB MET 11 - HN ASP- 44 16.667% * 0.1069% (0.78 1.0 0.02 0.02) = 0.107% QG GLU- 14 - HN ASP- 44 16.667% * 0.0911% (0.67 1.0 0.02 0.02) = 0.091% QG GLN 90 - HN ASP- 44 16.667% * 0.0587% (0.43 1.0 0.02 0.02) = 0.059% Peak 1005 (1.70, 8.78, 123.55 ppm): 7 chemical-shift based assignments, quality = 0.673, support = 0.596, residual support = 1.23: HB2 LEU 73 - HN ASP- 44 14.286% * 43.3294% (0.73 0.73 0.19) = 43.329% kept HB3 MET 92 - HN ASP- 44 14.286% * 30.0282% (0.49 0.75 3.49) = 30.028% kept QD LYS+ 106 - HN ASP- 44 14.286% * 18.6500% (0.96 0.24 0.46) = 18.650% kept HD2 LYS+ 111 - HN ASP- 44 14.286% * 5.5203% (0.32 0.21 0.27) = 5.520% kept QD LYS+ 99 - HN ASP- 44 14.286% * 1.6125% (0.98 0.02 0.02) = 1.613% kept QG1 ILE 56 - HN ASP- 44 14.286% * 0.5341% (0.32 0.02 0.02) = 0.534% HB3 LYS+ 99 - HN ASP- 44 14.286% * 0.3256% (0.20 0.02 0.02) = 0.326% Peak 1006 (1.51, 8.78, 123.55 ppm): 5 chemical-shift based assignments, quality = 0.806, support = 0.24, residual support = 0.0328: QD LYS+ 66 - HN ASP- 44 20.000% * 40.6860% (0.78 0.35 0.02) = 40.686% kept HG2 LYS+ 65 - HN ASP- 44 20.000% * 31.2218% (0.88 0.24 0.02) = 31.222% kept HD2 LYS+ 121 - HN ASP- 44 20.000% * 11.3103% (0.96 0.08 0.02) = 11.310% kept QG2 THR 26 - HN ASP- 44 20.000% * 10.0404% (0.78 0.09 0.02) = 10.040% kept HB2 LYS+ 74 - HN ASP- 44 20.000% * 6.7416% (0.38 0.12 0.21) = 6.742% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1007 (1.35, 8.78, 123.55 ppm): 9 chemical-shift based assignments, quality = 0.95, support = 3.17, residual support = 30.6: O HB3 ASP- 44 - HN ASP- 44 11.111% * 94.1425% (0.98 10.0 3.32 32.52) = 94.142% kept HB3 PRO 93 - HN ASP- 44 11.111% * 2.5542% (0.67 1.0 0.80 0.02) = 2.554% kept HB2 LEU 31 - HN ASP- 44 11.111% * 2.1068% (0.49 1.0 0.90 0.24) = 2.107% kept QB ALA 84 - HN ASP- 44 11.111% * 0.8270% (0.73 1.0 0.24 0.02) = 0.827% QB ALA 124 - HN ASP- 44 11.111% * 0.0941% (0.98 1.0 0.02 0.02) = 0.094% HB2 LEU 63 - HN ASP- 44 11.111% * 0.0848% (0.88 1.0 0.02 0.02) = 0.085% HG LEU 98 - HN ASP- 44 11.111% * 0.0848% (0.88 1.0 0.02 0.02) = 0.085% HB3 LEU 80 - HN ASP- 44 11.111% * 0.0697% (0.73 1.0 0.02 0.02) = 0.070% HG2 LYS+ 111 - HN ASP- 44 11.111% * 0.0360% (0.38 1.0 0.02 0.27) = 0.036% Peak 1008 (0.75, 8.78, 123.55 ppm): 6 chemical-shift based assignments, quality = 0.775, support = 3.92, residual support = 11.0: QG1 VAL 43 - HN ASP- 44 16.667% * 95.0484% (0.78 4.12 11.55) = 95.048% kept QG2 THR 46 - HN ASP- 44 16.667% * 2.5122% (0.98 0.09 0.02) = 2.512% kept QG1 VAL 41 - HN ASP- 44 16.667% * 1.3398% (0.49 0.09 0.02) = 1.340% kept QG2 VAL 18 - HN ASP- 44 16.667% * 0.5865% (1.00 0.02 0.02) = 0.586% QD1 ILE 19 - HN ASP- 44 16.667% * 0.3219% (0.55 0.02 0.02) = 0.322% QD2 LEU 104 - HN ASP- 44 16.667% * 0.1914% (0.32 0.02 0.02) = 0.191% Peak 1009 (0.06, 8.78, 123.55 ppm): 2 chemical-shift based assignments, quality = 0.417, support = 2.99, residual support = 8.77: QG2 VAL 43 - HN ASP- 44 50.000% * 75.4207% (0.38 3.70 11.55) = 75.421% kept QD2 LEU 31 - HN ASP- 44 50.000% * 24.5793% (0.55 0.83 0.24) = 24.579% kept Peak 1010 (4.84, 9.16, 125.94 ppm): 2 chemical-shift based assignments, quality = 0.241, support = 0.395, residual support = 0.373: HA PHE 45 - HN VAL 43 50.000% * 93.8441% (0.24 0.42 0.40) = 93.844% kept HA ASP- 78 - HN VAL 43 50.000% * 6.1559% (0.32 0.02 0.02) = 6.156% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1011 (5.33, 9.16, 125.94 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 1.5, residual support = 6.51: HA MET 96 - HN VAL 43 100.000% *100.0000% (0.24 1.50 6.51) = 100.000% kept Peak 1012 (2.21, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.901, support = 1.45, residual support = 6.29: HB2 MET 96 - HN VAL 43 16.667% * 96.6355% (0.92 1.50 6.51) = 96.635% kept HB VAL 70 - HN VAL 43 16.667% * 1.0916% (0.78 0.02 0.02) = 1.092% kept QG GLN 17 - HN VAL 43 16.667% * 0.9302% (0.67 0.02 0.02) = 0.930% HB2 GLU- 25 - HN VAL 43 16.667% * 0.6789% (0.49 0.02 0.02) = 0.679% HG2 GLU- 100 - HN VAL 43 16.667% * 0.3878% (0.28 0.02 0.02) = 0.388% HB3 ASP- 76 - HN VAL 43 16.667% * 0.2760% (0.20 0.02 0.02) = 0.276% Peak 1013 (1.76, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 3.68, residual support = 50.0: O HB VAL 43 - HN VAL 43 33.333% * 99.8415% (0.73 10.0 3.69 50.06) = 99.842% kept QD LYS+ 81 - HN VAL 43 33.333% * 0.0834% (0.61 1.0 0.02 0.02) = 0.083% HB2 LYS+ 99 - HN VAL 43 33.333% * 0.0751% (0.55 1.0 0.02 0.02) = 0.075% Peak 1014 (1.37, 9.16, 125.94 ppm): 10 chemical-shift based assignments, quality = 0.762, support = 3.72, residual support = 15.7: HB VAL 42 - HN VAL 43 10.000% * 63.7020% (0.67 5.13 23.15) = 63.702% kept HG3 LYS+ 106 - HN VAL 43 10.000% * 28.0886% (1.00 1.52 3.38) = 28.089% kept HB2 LYS+ 112 - HN VAL 43 10.000% * 5.8699% (0.92 0.34 0.02) = 5.870% kept QB ALA 84 - HN VAL 43 10.000% * 1.0719% (0.32 0.18 0.02) = 1.072% kept HG3 LYS+ 102 - HN VAL 43 10.000% * 0.3110% (0.84 0.02 0.02) = 0.311% HB3 LEU 73 - HN VAL 43 10.000% * 0.2914% (0.78 0.02 1.03) = 0.291% HG3 LYS+ 65 - HN VAL 43 10.000% * 0.2484% (0.67 0.02 0.02) = 0.248% HG3 LYS+ 33 - HN VAL 43 10.000% * 0.2033% (0.55 0.02 0.02) = 0.203% HB3 PRO 93 - HN VAL 43 10.000% * 0.1397% (0.38 0.02 0.02) = 0.140% HG LEU 98 - HN VAL 43 10.000% * 0.0737% (0.20 0.02 0.02) = 0.074% Peak 1015 (0.75, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.713, support = 3.78, residual support = 37.8: QG1 VAL 43 - HN VAL 43 16.667% * 74.6710% (0.78 4.40 50.06) = 74.671% kept QG1 VAL 41 - HN VAL 43 16.667% * 22.7286% (0.49 2.15 1.66) = 22.729% kept QG2 THR 46 - HN VAL 43 16.667% * 1.7916% (0.98 0.08 0.02) = 1.792% kept QG2 VAL 18 - HN VAL 43 16.667% * 0.4313% (1.00 0.02 0.02) = 0.431% QD1 ILE 19 - HN VAL 43 16.667% * 0.2367% (0.55 0.02 0.02) = 0.237% QD2 LEU 104 - HN VAL 43 16.667% * 0.1407% (0.32 0.02 0.02) = 0.141% Peak 1016 (0.56, 9.16, 125.94 ppm): 6 chemical-shift based assignments, quality = 0.502, support = 1.68, residual support = 1.44: QG2 VAL 41 - HN VAL 43 16.667% * 86.8391% (0.49 1.91 1.66) = 86.839% kept QD2 LEU 63 - HN VAL 43 16.667% * 7.5572% (0.96 0.08 0.02) = 7.557% kept QD1 LEU 63 - HN VAL 43 16.667% * 4.4148% (0.16 0.29 0.02) = 4.415% kept QD1 LEU 80 - HN VAL 43 16.667% * 0.4407% (0.24 0.02 0.02) = 0.441% QD2 LEU 98 - HN VAL 43 16.667% * 0.4407% (0.24 0.02 0.02) = 0.441% QD1 LEU 73 - HN VAL 43 16.667% * 0.3075% (0.16 0.02 1.03) = 0.307% Peak 1017 (0.37, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.909, support = 4.04, residual support = 21.2: QG1 VAL 42 - HN VAL 43 33.333% * 91.5193% (0.92 4.38 23.15) = 91.519% kept QB ALA 47 - HN VAL 43 33.333% * 4.9466% (1.00 0.22 0.02) = 4.947% kept HG2 LYS+ 112 - HN VAL 43 33.333% * 3.5341% (0.43 0.36 0.02) = 3.534% kept Peak 1018 (0.08, 9.16, 125.94 ppm): 3 chemical-shift based assignments, quality = 0.638, support = 0.0894, residual support = 0.621: QD2 LEU 31 - HN VAL 43 33.333% * 63.7526% (0.49 0.13 0.96) = 63.753% kept QG2 VAL 83 - HN VAL 43 33.333% * 20.3328% (1.00 0.02 0.02) = 20.333% kept QD1 ILE 89 - HN VAL 43 33.333% * 15.9146% (0.78 0.02 0.02) = 15.915% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1019 (1.83, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 5.32, residual support = 17.4: HB VAL 41 - HN VAL 42 16.667% * 98.6109% (0.92 5.40 17.65) = 98.611% kept HG12 ILE 103 - HN VAL 42 16.667% * 0.3957% (1.00 0.02 0.02) = 0.396% HG LEU 123 - HN VAL 42 16.667% * 0.3097% (0.78 0.02 0.02) = 0.310% HB3 PRO 52 - HN VAL 42 16.667% * 0.3097% (0.78 0.02 0.02) = 0.310% QB LYS+ 66 - HN VAL 42 16.667% * 0.2639% (0.67 0.02 0.02) = 0.264% HG2 PRO 93 - HN VAL 42 16.667% * 0.1100% (0.28 0.02 0.02) = 0.110% Peak 1020 (1.38, 8.95, 126.35 ppm): 9 chemical-shift based assignments, quality = 0.936, support = 5.11, residual support = 67.2: O HB VAL 42 - HN VAL 42 11.111% * 97.9247% (0.96 10.0 5.22 68.59) = 97.925% kept HB2 LYS+ 112 - HN VAL 42 11.111% * 0.9748% (0.73 1.0 0.26 0.02) = 0.975% HB3 LEU 73 - HN VAL 42 11.111% * 0.3871% (0.88 1.0 0.09 1.06) = 0.387% HG3 LYS+ 65 - HN VAL 42 11.111% * 0.3732% (0.96 1.0 0.08 0.02) = 0.373% HG3 LYS+ 33 - HN VAL 42 11.111% * 0.1019% (1.00 1.0 0.02 0.02) = 0.102% HG3 LYS+ 102 - HN VAL 42 11.111% * 0.0856% (0.84 1.0 0.02 0.02) = 0.086% QB ALA 12 - HN VAL 42 11.111% * 0.0683% (0.67 1.0 0.02 0.02) = 0.068% HG3 LYS+ 106 - HN VAL 42 11.111% * 0.0559% (0.55 1.0 0.02 0.90) = 0.056% QB LEU 98 - HN VAL 42 11.111% * 0.0285% (0.28 1.0 0.02 0.02) = 0.028% Peak 1021 (0.91, 8.95, 126.35 ppm): 3 chemical-shift based assignments, quality = 0.911, support = 0.737, residual support = 0.752: QD1 LEU 40 - HN VAL 42 33.333% * 91.0322% (0.96 0.80 0.82) = 91.032% kept QD2 LEU 67 - HN VAL 42 33.333% * 5.5055% (0.61 0.08 0.02) = 5.505% kept QG1 VAL 108 - HN VAL 42 33.333% * 3.4623% (0.20 0.15 0.02) = 3.462% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1022 (0.75, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.693, support = 3.67, residual support = 16.6: QG1 VAL 43 - HN VAL 42 16.667% * 42.7741% (0.78 3.66 23.15) = 42.774% kept QG1 VAL 41 - HN VAL 42 16.667% * 37.6358% (0.49 5.18 17.65) = 37.636% kept QG2 THR 46 - HN VAL 42 16.667% * 14.1716% (0.98 0.97 0.23) = 14.172% kept QD1 ILE 19 - HN VAL 42 16.667% * 3.7464% (0.55 0.46 0.02) = 3.746% kept QG2 VAL 18 - HN VAL 42 16.667% * 1.5753% (1.00 0.11 0.02) = 1.575% kept QD2 LEU 104 - HN VAL 42 16.667% * 0.0969% (0.32 0.02 0.02) = 0.097% Peak 1023 (0.56, 8.95, 126.35 ppm): 6 chemical-shift based assignments, quality = 0.489, support = 4.69, residual support = 16.4: QG2 VAL 41 - HN VAL 42 16.667% * 93.0124% (0.49 5.03 17.65) = 93.012% kept QD2 LEU 63 - HN VAL 42 16.667% * 3.2962% (0.96 0.09 0.02) = 3.296% kept QD1 LEU 63 - HN VAL 42 16.667% * 1.6701% (0.16 0.27 0.02) = 1.670% kept QD1 LEU 73 - HN VAL 42 16.667% * 1.0621% (0.16 0.17 1.06) = 1.062% kept QD2 LEU 98 - HN VAL 42 16.667% * 0.7801% (0.24 0.09 0.02) = 0.780% QD1 LEU 80 - HN VAL 42 16.667% * 0.1790% (0.24 0.02 0.02) = 0.179% Peak 1024 (0.36, 8.95, 126.35 ppm): 3 chemical-shift based assignments, quality = 0.717, support = 4.37, residual support = 66.2: QG1 VAL 42 - HN VAL 42 33.333% * 96.5577% (0.73 4.53 68.59) = 96.558% kept QB ALA 47 - HN VAL 42 33.333% * 2.8576% (0.55 0.18 0.02) = 2.858% kept HG2 LYS+ 112 - HN VAL 42 33.333% * 0.5848% (1.00 0.02 0.02) = 0.585% Peak 1025 (0.15, 8.95, 126.35 ppm): 2 chemical-shift based assignments, quality = 0.322, support = 4.51, residual support = 67.9: QG2 VAL 42 - HN VAL 42 50.000% * 99.0561% (0.32 4.55 68.59) = 99.056% kept QG2 VAL 75 - HN VAL 42 50.000% * 0.9439% (0.16 0.09 0.02) = 0.944% Peak 1026 (1.82, 9.02, 128.16 ppm): 9 chemical-shift based assignments, quality = 0.777, support = 4.11, residual support = 53.6: O HB VAL 41 - HN VAL 41 11.111% * 96.4349% (0.78 10.0 4.26 55.52) = 96.435% kept QB LYS+ 66 - HN VAL 41 11.111% * 2.2968% (0.98 1.0 0.38 0.54) = 2.297% kept HG LEU 123 - HN VAL 41 11.111% * 0.9143% (0.20 1.0 0.75 0.54) = 0.914% HG2 PRO 93 - HN VAL 41 11.111% * 0.1087% (0.88 1.0 0.02 0.02) = 0.109% QB LYS+ 102 - HN VAL 41 11.111% * 0.0673% (0.55 1.0 0.02 0.02) = 0.067% HG12 ILE 103 - HN VAL 41 11.111% * 0.0673% (0.55 1.0 0.02 0.02) = 0.067% QB LYS+ 65 - HN VAL 41 11.111% * 0.0462% (0.38 1.0 0.02 0.02) = 0.046% HB2 LEU 71 - HN VAL 41 11.111% * 0.0400% (0.32 1.0 0.02 1.29) = 0.040% HB3 PRO 52 - HN VAL 41 11.111% * 0.0244% (0.20 1.0 0.02 0.02) = 0.024% Peak 1027 (1.43, 9.02, 128.16 ppm): 9 chemical-shift based assignments, quality = 0.765, support = 0.372, residual support = 0.204: HG LEU 80 - HN VAL 41 11.111% * 27.5009% (0.92 0.41 0.25) = 27.501% kept HB3 LEU 67 - HN VAL 41 11.111% * 22.3587% (0.88 0.35 0.11) = 22.359% kept QB ALA 110 - HN VAL 41 11.111% * 13.7876% (0.88 0.21 0.02) = 13.788% kept HB2 LEU 80 - HN VAL 41 11.111% * 12.3622% (0.20 0.86 0.25) = 12.362% kept HG12 ILE 19 - HN VAL 41 11.111% * 12.1068% (0.78 0.21 0.02) = 12.107% kept QG LYS+ 66 - HN VAL 41 11.111% * 9.6667% (0.61 0.22 0.54) = 9.667% kept QB ALA 61 - HN VAL 41 11.111% * 1.4537% (1.00 0.02 1.59) = 1.454% kept HG LEU 73 - HN VAL 41 11.111% * 0.4743% (0.32 0.02 0.02) = 0.474% HG2 LYS+ 102 - HN VAL 41 11.111% * 0.2891% (0.20 0.02 0.02) = 0.289% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1028 (1.28, 9.02, 128.16 ppm): 4 chemical-shift based assignments, quality = 0.886, support = 0.898, residual support = 1.58: QG2 THR 23 - HN VAL 41 25.000% * 55.9030% (0.98 0.92 1.28) = 55.903% kept QB ALA 34 - HN VAL 41 25.000% * 43.2004% (0.78 0.89 2.00) = 43.200% kept QG2 ILE 56 - HN VAL 41 25.000% * 0.6040% (0.49 0.02 0.02) = 0.604% HG3 LYS+ 38 - HN VAL 41 25.000% * 0.2925% (0.24 0.02 0.02) = 0.293% Peak 1029 (0.98, 9.02, 128.16 ppm): 6 chemical-shift based assignments, quality = 0.841, support = 1.87, residual support = 6.02: QD2 LEU 40 - HN VAL 41 16.667% * 72.5750% (0.84 2.44 8.23) = 72.575% kept QD1 LEU 67 - HN VAL 41 16.667% * 16.9192% (0.88 0.54 0.11) = 16.919% kept HG3 LYS+ 74 - HN VAL 41 16.667% * 4.8609% (1.00 0.14 0.02) = 4.861% kept QG2 ILE 103 - HN VAL 41 16.667% * 2.9366% (0.98 0.08 0.02) = 2.937% kept QD2 LEU 71 - HN VAL 41 16.667% * 1.6237% (0.38 0.12 1.29) = 1.624% kept QD1 ILE 103 - HN VAL 41 16.667% * 1.0845% (0.24 0.13 0.02) = 1.084% kept Peak 1030 (0.76, 9.02, 128.16 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 3.67, residual support = 49.6: QG1 VAL 41 - HN VAL 41 16.667% * 89.2213% (1.00 4.08 55.52) = 89.221% kept QG1 VAL 43 - HN VAL 41 16.667% * 6.0735% (0.88 0.31 1.66) = 6.074% kept QG2 THR 46 - HN VAL 41 16.667% * 3.4125% (0.38 0.42 0.02) = 3.412% kept QG2 VAL 18 - HN VAL 41 16.667% * 1.0788% (0.55 0.09 0.02) = 1.079% kept HG LEU 31 - HN VAL 41 16.667% * 0.1420% (0.32 0.02 0.02) = 0.142% QD2 LEU 73 - HN VAL 41 16.667% * 0.0719% (0.16 0.02 0.02) = 0.072% Peak 1031 (0.56, 9.02, 128.16 ppm): 6 chemical-shift based assignments, quality = 0.465, support = 3.38, residual support = 46.6: QG2 VAL 41 - HN VAL 41 16.667% * 81.6604% (0.49 3.98 55.52) = 81.660% kept QD2 LEU 98 - HN VAL 41 16.667% * 10.7887% (0.24 1.09 11.13) = 10.789% kept QD1 LEU 80 - HN VAL 41 16.667% * 3.8645% (0.24 0.39 0.25) = 3.864% kept QD2 LEU 63 - HN VAL 41 16.667% * 3.4091% (0.96 0.08 0.02) = 3.409% kept QD1 LEU 63 - HN VAL 41 16.667% * 0.1387% (0.16 0.02 0.02) = 0.139% QD1 LEU 73 - HN VAL 41 16.667% * 0.1387% (0.16 0.02 0.02) = 0.139% Peak 1032 (0.21, 9.02, 128.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 1033 (4.04, 8.88, 128.13 ppm): 2 chemical-shift based assignments, quality = 0.941, support = 0.597, residual support = 0.314: HA1 GLY 16 - HN LEU 40 50.000% * 87.9695% (0.96 0.66 0.35) = 87.969% kept HB2 SER 37 - HN LEU 40 50.000% * 12.0305% (0.84 0.10 0.02) = 12.031% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1034 (3.84, 8.88, 128.13 ppm): 5 chemical-shift based assignments, quality = 0.685, support = 0.17, residual support = 0.104: HA GLN 30 - HN LEU 40 20.000% * 33.1221% (0.88 0.14 0.27) = 33.122% kept HB2 CYS 53 - HN LEU 40 20.000% * 24.2501% (0.28 0.33 0.02) = 24.250% kept HD3 PRO 52 - HN LEU 40 20.000% * 23.6204% (0.96 0.09 0.02) = 23.620% kept HB3 SER 82 - HN LEU 40 20.000% * 18.1259% (0.55 0.12 0.02) = 18.126% kept QB SER 13 - HN LEU 40 20.000% * 0.8816% (0.16 0.02 0.02) = 0.882% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1035 (2.99, 8.88, 128.13 ppm): 4 chemical-shift based assignments, quality = 0.447, support = 0.271, residual support = 3.7: QE LYS+ 99 - HN LEU 40 25.000% * 70.7017% (0.28 0.37 5.03) = 70.702% kept HB3 TRP 27 - HN LEU 40 25.000% * 12.9843% (0.96 0.02 0.02) = 12.984% kept HB2 PHE 97 - HN LEU 40 25.000% * 12.5377% (0.92 0.02 1.09) = 12.538% kept QE LYS+ 106 - HN LEU 40 25.000% * 3.7763% (0.28 0.02 0.02) = 3.776% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1036 (1.93, 8.88, 128.13 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 4.02, residual support = 70.1: O HB2 LEU 40 - HN LEU 40 20.000% * 99.8335% (0.92 10.0 4.02 70.17) = 99.834% kept HB3 MET 96 - HN LEU 40 20.000% * 0.0903% (0.84 1.0 0.02 0.55) = 0.090% HB3 GLU- 14 - HN LEU 40 20.000% * 0.0406% (0.38 1.0 0.02 0.02) = 0.041% HG3 MET 11 - HN LEU 40 20.000% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% HB3 ARG+ 54 - HN LEU 40 20.000% * 0.0178% (0.16 1.0 0.02 0.02) = 0.018% Peak 1037 (1.46, 8.88, 128.13 ppm): 8 chemical-shift based assignments, quality = 0.505, support = 4.25, residual support = 68.6: O HB3 LEU 40 - HN LEU 40 12.500% * 61.8267% (0.32 10.0 4.23 70.17) = 61.827% kept HG LEU 40 - HN LEU 40 12.500% * 35.9494% (0.84 1.0 4.52 70.17) = 35.949% kept HG2 LYS+ 102 - HN LEU 40 12.500% * 1.5974% (0.28 1.0 0.60 0.02) = 1.597% kept HG LEU 67 - HN LEU 40 12.500% * 0.1821% (0.96 1.0 0.02 0.02) = 0.182% HB3 LEU 115 - HN LEU 40 12.500% * 0.1591% (0.84 1.0 0.02 0.02) = 0.159% HG LEU 115 - HN LEU 40 12.500% * 0.1270% (0.67 1.0 0.02 0.02) = 0.127% QB ALA 120 - HN LEU 40 12.500% * 0.1270% (0.67 1.0 0.02 0.02) = 0.127% HG LEU 73 - HN LEU 40 12.500% * 0.0313% (0.16 1.0 0.02 0.02) = 0.031% Peak 1038 (1.28, 8.88, 128.13 ppm): 4 chemical-shift based assignments, quality = 0.715, support = 0.909, residual support = 0.324: QB ALA 34 - HN LEU 40 25.000% * 49.0359% (0.78 1.00 0.43) = 49.036% kept QG2 THR 23 - HN LEU 40 25.000% * 27.5396% (0.98 0.45 0.14) = 27.540% kept HG3 LYS+ 38 - HN LEU 40 25.000% * 20.9582% (0.24 1.41 0.27) = 20.958% kept QG2 ILE 56 - HN LEU 40 25.000% * 2.4663% (0.49 0.08 0.82) = 2.466% kept Peak 1039 (0.85, 8.88, 128.13 ppm): 5 chemical-shift based assignments, quality = 0.787, support = 0.776, residual support = 8.72: QD1 LEU 71 - HN LEU 40 20.000% * 42.5084% (0.96 0.75 0.60) = 42.508% kept QG1 VAL 70 - HN LEU 40 20.000% * 40.5220% (0.67 1.03 20.88) = 40.522% kept QG1 VAL 18 - HN LEU 40 20.000% * 9.4692% (0.49 0.33 0.02) = 9.469% kept HB3 LEU 104 - HN LEU 40 20.000% * 6.3702% (0.84 0.13 0.02) = 6.370% kept QD1 LEU 123 - HN LEU 40 20.000% * 1.1302% (0.96 0.02 0.34) = 1.130% kept Peak 1040 (0.97, 8.88, 128.13 ppm): 7 chemical-shift based assignments, quality = 0.577, support = 2.36, residual support = 30.7: QD2 LEU 40 - HN LEU 40 14.286% * 43.3075% (0.24 4.31 70.17) = 43.307% kept QD2 LEU 71 - HN LEU 40 14.286% * 43.0253% (0.96 1.05 0.60) = 43.025% kept QG2 ILE 103 - HN LEU 40 14.286% * 8.7032% (0.43 0.47 0.02) = 8.703% kept QD1 ILE 103 - HN LEU 40 14.286% * 2.6794% (0.84 0.08 0.02) = 2.679% kept QD1 LEU 67 - HN LEU 40 14.286% * 1.3010% (0.28 0.11 0.02) = 1.301% kept HG3 LYS+ 74 - HN LEU 40 14.286% * 0.5175% (0.61 0.02 0.02) = 0.518% QG2 ILE 119 - HN LEU 40 14.286% * 0.4660% (0.55 0.02 0.02) = 0.466% Peak 1041 (0.20, 8.88, 128.13 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 3.84, residual support = 20.9: QG2 VAL 70 - HN LEU 40 100.000% *100.0000% (0.28 3.84 20.88) = 100.000% kept Peak 1042 (4.11, 7.75, 114.55 ppm): 4 chemical-shift based assignments, quality = 0.656, support = 1.75, residual support = 0.774: HA GLU- 36 - HN THR 39 25.000% * 67.8651% (0.61 2.29 1.06) = 67.865% kept HA LYS+ 81 - HN THR 39 25.000% * 27.4416% (0.78 0.72 0.19) = 27.442% kept HA ARG+ 54 - HN THR 39 25.000% * 3.7910% (0.78 0.10 0.02) = 3.791% kept HA ALA 124 - HN THR 39 25.000% * 0.9023% (0.92 0.02 0.02) = 0.902% Peak 1043 (4.42, 7.75, 114.55 ppm): 7 chemical-shift based assignments, quality = 0.639, support = 2.54, residual support = 6.78: HA SER 37 - HN THR 39 14.286% * 66.7808% (0.78 2.63 2.96) = 66.781% kept HA LEU 40 - HN THR 39 14.286% * 30.8785% (0.38 2.53 15.54) = 30.879% kept HA THR 46 - HN THR 39 14.286% * 0.5729% (0.88 0.02 0.02) = 0.573% HA GLN 17 - HN THR 39 14.286% * 0.5081% (0.78 0.02 0.02) = 0.508% HA GLU- 15 - HN THR 39 14.286% * 0.4330% (0.67 0.02 0.02) = 0.433% HA SER 13 - HN THR 39 14.286% * 0.4330% (0.67 0.02 0.02) = 0.433% HA PRO 58 - HN THR 39 14.286% * 0.3937% (0.61 0.02 0.02) = 0.394% Peak 1044 (3.84, 7.75, 114.55 ppm): 5 chemical-shift based assignments, quality = 0.749, support = 0.286, residual support = 0.0199: HD3 PRO 52 - HN THR 39 20.000% * 44.9848% (0.96 0.33 0.02) = 44.985% kept HB3 SER 82 - HN THR 39 20.000% * 22.9659% (0.55 0.29 0.02) = 22.966% kept HA GLN 30 - HN THR 39 20.000% * 17.5591% (0.88 0.14 0.02) = 17.559% kept HB2 CYS 53 - HN THR 39 20.000% * 14.0146% (0.28 0.35 0.02) = 14.015% kept QB SER 13 - HN THR 39 20.000% * 0.4756% (0.16 0.02 0.02) = 0.476% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1045 (1.27, 7.75, 114.55 ppm): 6 chemical-shift based assignments, quality = 0.616, support = 4.05, residual support = 19.9: HG3 LYS+ 38 - HN THR 39 16.667% * 56.3668% (0.55 5.64 28.42) = 56.367% kept QB ALA 34 - HN THR 39 16.667% * 24.7131% (1.00 1.36 1.72) = 24.713% kept QG2 THR 39 - HN THR 39 16.667% * 13.6171% (0.20 3.76 25.58) = 13.617% kept QG2 THR 23 - HN THR 39 16.667% * 4.9250% (0.73 0.37 0.02) = 4.925% kept QG2 ILE 56 - HN THR 39 16.667% * 0.3056% (0.84 0.02 0.02) = 0.306% QB ALA 91 - HN THR 39 16.667% * 0.0724% (0.20 0.02 0.02) = 0.072% Peak 1046 (3.79, 7.88, 117.58 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 6.06, residual support = 195.0: O HA LYS+ 38 - HN LYS+ 38 25.000% * 99.8883% (0.61 10.0 6.07 195.26) = 99.888% kept HA GLU- 100 - HN LYS+ 38 25.000% * 0.0458% (0.28 1.0 0.02 0.50) = 0.046% HA VAL 83 - HN LYS+ 38 25.000% * 0.0388% (0.24 1.0 0.02 0.02) = 0.039% HD2 PRO 58 - HN LYS+ 38 25.000% * 0.0271% (0.16 1.0 0.02 0.02) = 0.027% Peak 1047 (2.18, 7.88, 117.58 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 5.88, residual support = 193.4: O HB2 LYS+ 38 - HN LYS+ 38 33.333% * 99.0258% (1.00 10.0 5.94 195.26) = 99.026% kept HG3 GLU- 29 - HN LYS+ 38 33.333% * 0.9508% (0.49 1.0 0.39 0.02) = 0.951% HB2 GLN 90 - HN LYS+ 38 33.333% * 0.0233% (0.24 1.0 0.02 0.02) = 0.023% Peak 1048 (1.89, 7.88, 117.58 ppm): 5 chemical-shift based assignments, quality = 0.788, support = 4.95, residual support = 187.4: O HB3 LYS+ 38 - HN LYS+ 38 20.000% * 95.9511% (0.78 10.0 5.13 195.26) = 95.951% kept HB3 GLN 30 - HN LYS+ 38 20.000% * 3.7659% (0.98 1.0 0.63 0.02) = 3.766% kept HB2 MET 92 - HN LYS+ 38 20.000% * 0.1202% (0.98 1.0 0.02 0.02) = 0.120% HB3 PRO 58 - HN LYS+ 38 20.000% * 0.0960% (0.78 1.0 0.02 0.02) = 0.096% HB ILE 56 - HN LYS+ 38 20.000% * 0.0669% (0.55 1.0 0.02 0.02) = 0.067% Peak 1049 (1.31, 7.88, 117.58 ppm): 4 chemical-shift based assignments, quality = 0.468, support = 4.5, residual support = 159.1: HG2 LYS+ 38 - HN LYS+ 38 25.000% * 81.4816% (0.38 5.45 195.26) = 81.482% kept QB ALA 88 - HN LYS+ 38 25.000% * 13.5851% (0.88 0.39 0.02) = 13.585% kept QG2 THR 77 - HN LYS+ 38 25.000% * 4.7454% (0.88 0.13 0.02) = 4.745% kept HG2 LYS+ 99 - HN LYS+ 38 25.000% * 0.1880% (0.24 0.02 0.60) = 0.188% Peak 1050 (2.18, 7.75, 114.55 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 5.92, residual support = 28.1: HB2 LYS+ 38 - HN THR 39 33.333% * 98.7987% (1.00 5.99 28.42) = 98.799% kept HG3 GLU- 29 - HN THR 39 33.333% * 1.1236% (0.49 0.14 0.02) = 1.124% kept HB2 GLN 90 - HN THR 39 33.333% * 0.0777% (0.24 0.02 0.02) = 0.078% Peak 1051 (3.87, 7.91, 112.05 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 2.77, residual support = 23.0: O HB3 SER 37 - HN SER 37 16.667% * 94.5566% (0.98 10.0 2.90 24.23) = 94.557% kept HB THR 39 - HN SER 37 16.667% * 3.3755% (0.98 1.0 0.71 2.96) = 3.376% kept HB THR 118 - HN SER 37 16.667% * 1.0007% (0.49 1.0 0.43 0.02) = 1.001% kept HA ILE 89 - HN SER 37 16.667% * 0.9223% (0.98 1.0 0.20 0.02) = 0.922% QB SER 13 - HN SER 37 16.667% * 0.0922% (0.96 1.0 0.02 0.02) = 0.092% HB3 SER 82 - HN SER 37 16.667% * 0.0527% (0.55 1.0 0.02 0.02) = 0.053% Peak 1052 (2.15, 7.91, 112.05 ppm): 5 chemical-shift based assignments, quality = 0.956, support = 3.47, residual support = 7.44: QB GLU- 36 - HN SER 37 20.000% * 93.6719% (1.00 3.69 7.94) = 93.672% kept HB2 GLN 90 - HN SER 37 20.000% * 3.7014% (0.43 0.34 0.02) = 3.701% kept HG3 GLU- 29 - HN SER 37 20.000% * 1.7599% (0.20 0.35 0.02) = 1.760% kept HB3 GLU- 79 - HN SER 37 20.000% * 0.4979% (0.98 0.02 0.02) = 0.498% HB3 GLU- 29 - HN SER 37 20.000% * 0.3689% (0.73 0.02 0.02) = 0.369% Peak 1053 (1.30, 7.91, 112.05 ppm): 2 chemical-shift based assignments, quality = 0.558, support = 0.207, residual support = 0.141: QB ALA 88 - HN SER 37 50.000% * 85.5679% (0.49 0.24 0.16) = 85.568% kept QG2 THR 77 - HN SER 37 50.000% * 14.4321% (0.98 0.02 0.02) = 14.432% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1054 (2.93, 7.76, 119.36 ppm): 5 chemical-shift based assignments, quality = 0.494, support = 4.06, residual support = 20.8: HB2 ASN 35 - HN GLU- 36 20.000% * 69.9804% (0.38 5.58 29.74) = 69.980% kept QE LYS+ 33 - HN GLU- 36 20.000% * 14.5941% (0.73 0.60 0.02) = 14.594% kept HB2 ASN 28 - HN GLU- 36 20.000% * 14.1706% (0.88 0.48 0.02) = 14.171% kept QE LYS+ 65 - HN GLU- 36 20.000% * 0.6651% (1.00 0.02 0.02) = 0.665% HB2 ASP- 86 - HN GLU- 36 20.000% * 0.5899% (0.88 0.02 0.21) = 0.590% Peak 1055 (2.47, 7.76, 119.36 ppm): 2 chemical-shift based assignments, quality = 0.92, support = 4.21, residual support = 61.4: HG2 GLU- 36 - HN GLU- 36 50.000% * 99.6894% (0.92 4.22 61.63) = 99.689% kept HG3 MET 96 - HN GLU- 36 50.000% * 0.3106% (0.61 0.02 0.02) = 0.311% Peak 1056 (2.14, 7.76, 119.36 ppm): 3 chemical-shift based assignments, quality = 0.777, support = 5.88, residual support = 57.2: O QB GLU- 36 - HN GLU- 36 33.333% * 92.7186% (0.78 10.0 6.26 61.63) = 92.719% kept HB3 GLU- 79 - HN GLU- 36 33.333% * 4.8805% (0.88 1.0 0.93 0.02) = 4.880% kept HB3 GLU- 29 - HN GLU- 36 33.333% * 2.4009% (0.32 1.0 1.25 0.11) = 2.401% kept Peak 1057 (2.29, 7.76, 119.36 ppm): 6 chemical-shift based assignments, quality = 0.367, support = 4.12, residual support = 60.3: HG3 GLU- 36 - HN GLU- 36 16.667% * 97.7785% (0.38 4.22 61.63) = 97.778% kept QB MET 11 - HN GLU- 36 16.667% * 0.9668% (0.78 0.02 0.02) = 0.967% HG2 MET 92 - HN GLU- 36 16.667% * 0.4636% (0.38 0.02 0.02) = 0.464% QG GLU- 114 - HN GLU- 36 16.667% * 0.3434% (0.28 0.02 0.02) = 0.343% HB2 GLU- 79 - HN GLU- 36 16.667% * 0.2445% (0.20 0.02 0.02) = 0.244% QG GLU- 15 - HN GLU- 36 16.667% * 0.2032% (0.16 0.02 0.02) = 0.203% Peak 1058 (3.55, 6.53, 110.12 ppm): 2 chemical-shift based assignments, quality = 0.278, support = 0.02, residual support = 0.02: HD2 PRO 93 - HD22 ASN 35 50.000% * 50.0000% (0.28 0.02 0.02) = 50.000% kept HB2 TRP 27 - HD22 ASN 35 50.000% * 50.0000% (0.28 0.02 0.02) = 50.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1059 (2.94, 6.53, 110.12 ppm): 5 chemical-shift based assignments, quality = 0.547, support = 3.19, residual support = 42.2: O HB2 ASN 35 - HD22 ASN 35 20.000% * 94.5963% (0.55 10.0 3.35 44.57) = 94.596% kept HB2 ASN 28 - HD22 ASN 35 20.000% * 3.1279% (0.73 1.0 0.50 0.21) = 3.128% kept QE LYS+ 33 - HD22 ASN 35 20.000% * 1.4615% (0.55 1.0 0.31 2.13) = 1.461% kept QE LYS+ 65 - HD22 ASN 35 20.000% * 0.6445% (0.92 1.0 0.08 0.02) = 0.645% HB2 ASP- 86 - HD22 ASN 35 20.000% * 0.1698% (0.98 1.0 0.02 0.02) = 0.170% Peak 1060 (3.99, 7.37, 110.13 ppm): 8 chemical-shift based assignments, quality = 0.698, support = 0.62, residual support = 0.589: HB2 SER 82 - HD21 ASN 35 12.500% * 24.1457% (0.83 0.79 0.40) = 24.146% kept HA SER 48 - HD21 ASN 35 12.500% * 14.9811% (0.92 0.44 0.02) = 14.981% kept HA ALA 88 - HD21 ASN 35 12.500% * 14.3462% (0.61 0.64 0.24) = 14.346% kept HA GLN 32 - HD21 ASN 35 12.500% * 14.0749% (0.55 0.70 0.02) = 14.075% kept HA GLU- 29 - HD21 ASN 35 12.500% * 13.6619% (0.67 0.56 1.63) = 13.662% kept HA LYS+ 33 - HD21 ASN 35 12.500% * 10.7674% (0.43 0.68 2.13) = 10.767% kept HA VAL 18 - HD21 ASN 35 12.500% * 7.8186% (0.73 0.29 0.02) = 7.819% kept HD2 PRO 52 - HD21 ASN 35 12.500% * 0.2041% (0.28 0.02 0.02) = 0.204% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1061 (2.93, 7.37, 110.13 ppm): 5 chemical-shift based assignments, quality = 0.399, support = 2.95, residual support = 38.2: O HB2 ASN 35 - HD21 ASN 35 20.000% * 85.2348% (0.32 10.0 3.35 44.57) = 85.235% kept QE LYS+ 33 - HD21 ASN 35 20.000% * 8.9716% (0.78 1.0 0.87 2.13) = 8.972% kept HB2 ASN 28 - HD21 ASN 35 20.000% * 4.5161% (0.92 1.0 0.37 0.21) = 4.516% kept QE LYS+ 65 - HD21 ASN 35 20.000% * 1.0582% (1.00 1.0 0.08 0.02) = 1.058% kept HB2 ASP- 86 - HD21 ASN 35 20.000% * 0.2193% (0.83 1.0 0.02 0.02) = 0.219% Peak 1062 (4.00, 8.06, 119.69 ppm): 10 chemical-shift based assignments, quality = 0.439, support = 3.35, residual support = 27.4: O HA GLN 32 - HN GLN 32 10.000% * 73.2388% (0.38 10.0 3.62 33.72) = 73.239% kept HA LYS+ 33 - HN GLN 32 10.000% * 19.9147% (0.61 1.0 3.37 13.33) = 19.915% kept HA GLU- 29 - HN GLN 32 10.000% * 3.9877% (0.84 1.0 0.49 0.02) = 3.988% kept HA ALA 88 - HN GLN 32 10.000% * 2.2380% (0.43 1.0 0.53 0.02) = 2.238% kept HB2 SER 82 - HN GLN 32 10.000% * 0.1866% (0.96 1.0 0.02 0.02) = 0.187% HA VAL 18 - HN GLN 32 10.000% * 0.1722% (0.88 1.0 0.02 0.02) = 0.172% HA SER 48 - HN GLN 32 10.000% * 0.1527% (0.78 1.0 0.02 0.02) = 0.153% HA GLN 116 - HN GLN 32 10.000% * 0.0386% (0.20 1.0 0.02 0.02) = 0.039% HA VAL 70 - HN GLN 32 10.000% * 0.0386% (0.20 1.0 0.02 0.02) = 0.039% HD2 PRO 52 - HN GLN 32 10.000% * 0.0321% (0.16 1.0 0.02 0.02) = 0.032% Peak 1063 (4.01, 7.95, 120.58 ppm): 7 chemical-shift based assignments, quality = 0.72, support = 4.46, residual support = 108.0: O HA LYS+ 33 - HN LYS+ 33 14.286% * 99.1666% (0.73 10.0 4.49 108.90) = 99.167% kept HB2 SER 82 - HN LYS+ 33 14.286% * 0.4081% (0.32 1.0 0.18 0.57) = 0.408% HA VAL 70 - HN LYS+ 33 14.286% * 0.1366% (1.00 1.0 0.02 0.02) = 0.137% HA GLN 116 - HN LYS+ 33 14.286% * 0.1366% (1.00 1.0 0.02 0.02) = 0.137% HA GLU- 29 - HN LYS+ 33 14.286% * 0.0665% (0.49 1.0 0.02 0.02) = 0.066% HA VAL 18 - HN LYS+ 33 14.286% * 0.0587% (0.43 1.0 0.02 0.11) = 0.059% HB2 SER 37 - HN LYS+ 33 14.286% * 0.0270% (0.20 1.0 0.02 0.02) = 0.027% Peak 1064 (4.16, 8.29, 121.00 ppm): 4 chemical-shift based assignments, quality = 0.797, support = 0.217, residual support = 0.158: HA THR 26 - HN GLU- 29 25.000% * 83.3039% (0.88 0.25 0.19) = 83.304% kept HA GLU- 114 - HN GLU- 29 25.000% * 11.9059% (0.38 0.08 0.02) = 11.906% kept HA CYS 53 - HN GLU- 29 25.000% * 3.2794% (0.43 0.02 0.02) = 3.279% kept HA1 GLY 101 - HN GLU- 29 25.000% * 1.5108% (0.20 0.02 0.02) = 1.511% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1065 (2.93, 6.97, 111.81 ppm): 5 chemical-shift based assignments, quality = 0.877, support = 3.65, residual support = 87.2: O HB2 ASN 28 - HD22 ASN 28 20.000% * 99.3267% (0.88 10.0 3.68 87.83) = 99.327% kept HB2 ASP- 86 - HD22 ASN 28 20.000% * 0.4373% (0.88 1.0 0.09 0.02) = 0.437% QE LYS+ 65 - HD22 ASN 28 20.000% * 0.1120% (1.00 1.0 0.02 0.02) = 0.112% QE LYS+ 33 - HD22 ASN 28 20.000% * 0.0817% (0.73 1.0 0.02 0.02) = 0.082% HB2 ASN 35 - HD22 ASN 28 20.000% * 0.0422% (0.38 1.0 0.02 0.21) = 0.042% Peak 1066 (2.72, 7.18, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.374, support = 3.65, residual support = 111.0: O HG2 GLN 30 - HE21 GLN 30 50.000% * 85.7135% (0.32 10.0 3.98 129.04) = 85.714% kept HB3 ASN 28 - HE21 GLN 30 50.000% * 14.2865% (0.67 1.0 1.62 2.78) = 14.286% kept Peak 1067 (2.72, 6.64, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.341, support = 4.02, residual support = 123.2: O HG2 GLN 30 - HE22 GLN 30 50.000% * 95.3497% (0.32 10.0 4.20 129.04) = 95.350% kept HB3 ASN 28 - HE22 GLN 30 50.000% * 4.6503% (0.67 1.0 0.47 2.78) = 4.650% kept Peak 1068 (2.73, 6.97, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.781, support = 3.66, residual support = 87.7: O HB3 ASN 28 - HD22 ASN 28 33.333% * 99.8110% (0.78 10.0 3.67 87.83) = 99.811% kept HG2 GLN 30 - HD22 ASN 28 33.333% * 0.1269% (1.00 1.0 0.02 2.78) = 0.127% QE LYS+ 121 - HD22 ASN 28 33.333% * 0.0621% (0.49 1.0 0.02 0.02) = 0.062% Peak 1069 (1.07, 6.97, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.829, support = 1.04, residual support = 7.64: QG2 VAL 24 - HD22 ASN 28 33.333% * 64.5736% (0.92 1.22 10.78) = 64.574% kept HG LEU 63 - HD22 ASN 28 33.333% * 31.1418% (0.73 0.75 2.19) = 31.142% kept HG3 LYS+ 112 - HD22 ASN 28 33.333% * 4.2846% (0.16 0.46 0.02) = 4.285% kept Peak 1070 (4.01, 8.29, 121.00 ppm): 6 chemical-shift based assignments, quality = 0.674, support = 4.68, residual support = 63.1: O HA GLU- 29 - HN GLU- 29 16.667% * 94.8656% (0.67 10.0 4.89 66.47) = 94.866% kept HA LYS+ 33 - HN GLU- 29 16.667% * 4.7070% (0.88 1.0 0.75 0.02) = 4.707% kept HA GLN 116 - HN GLU- 29 16.667% * 0.1360% (0.96 1.0 0.02 0.02) = 0.136% HA VAL 70 - HN GLU- 29 16.667% * 0.1360% (0.96 1.0 0.02 0.02) = 0.136% HA VAL 18 - HN GLU- 29 16.667% * 0.0863% (0.61 1.0 0.02 0.02) = 0.086% HB2 SER 82 - HN GLU- 29 16.667% * 0.0692% (0.49 1.0 0.02 0.02) = 0.069% Peak 1071 (2.93, 8.29, 121.00 ppm): 5 chemical-shift based assignments, quality = 0.872, support = 3.83, residual support = 11.3: HB2 ASN 28 - HN GLU- 29 20.000% * 69.6360% (0.92 5.04 16.10) = 69.636% kept HB2 ASP- 86 - HN GLU- 29 20.000% * 14.6429% (0.84 1.17 0.16) = 14.643% kept QE LYS+ 33 - HN GLU- 29 20.000% * 12.4294% (0.78 1.06 0.02) = 12.429% kept HB2 ASN 35 - HN GLU- 29 20.000% * 2.9926% (0.32 0.62 1.63) = 2.993% kept QE LYS+ 65 - HN GLU- 29 20.000% * 0.2991% (1.00 0.02 0.02) = 0.299% Peak 1072 (2.74, 8.29, 121.00 ppm): 4 chemical-shift based assignments, quality = 0.589, support = 4.82, residual support = 20.3: HG2 GLN 30 - HN GLU- 29 25.000% * 61.5186% (0.73 4.51 23.07) = 61.519% kept HB3 ASN 28 - HN GLU- 29 25.000% * 38.0089% (0.38 5.39 16.10) = 38.009% kept QE LYS+ 121 - HN GLU- 29 25.000% * 0.3315% (0.88 0.02 0.02) = 0.331% HB3 HIS 122 - HN GLU- 29 25.000% * 0.1410% (0.38 0.02 0.02) = 0.141% Peak 1073 (2.42, 8.29, 121.00 ppm): 4 chemical-shift based assignments, quality = 0.303, support = 4.38, residual support = 63.8: HG2 GLU- 29 - HN GLU- 29 25.000% * 96.0241% (0.28 4.56 66.47) = 96.024% kept QE LYS+ 112 - HN GLU- 29 25.000% * 1.4833% (0.98 0.02 0.55) = 1.483% kept HB3 PHE 45 - HN GLU- 29 25.000% * 1.4833% (0.98 0.02 0.02) = 1.483% kept HB VAL 107 - HN GLU- 29 25.000% * 1.0093% (0.67 0.02 0.02) = 1.009% kept Peak 1075 (4.15, 8.31, 118.54 ppm): 6 chemical-shift based assignments, quality = 0.709, support = 1.62, residual support = 2.65: HA THR 26 - HN GLN 30 16.667% * 56.6531% (0.92 1.36 3.48) = 56.653% kept HA ASN 28 - HN GLN 30 16.667% * 24.0929% (0.16 3.26 2.78) = 24.093% kept HA GLU- 114 - HN GLN 30 16.667% * 15.6367% (0.88 0.39 0.02) = 15.637% kept HA ALA 34 - HN GLN 30 16.667% * 2.2775% (0.38 0.13 0.22) = 2.277% kept HA LEU 115 - HN GLN 30 16.667% * 0.7398% (0.20 0.08 0.43) = 0.740% HA1 GLY 101 - HN GLN 30 16.667% * 0.6000% (0.67 0.02 0.02) = 0.600% Peak 1076 (4.00, 8.31, 118.54 ppm): 7 chemical-shift based assignments, quality = 0.991, support = 4.63, residual support = 23.0: O HA GLU- 29 - HN GLN 30 14.286% * 99.5670% (1.00 10.0 4.65 23.07) = 99.567% kept HA VAL 18 - HN GLN 30 14.286% * 0.0981% (0.98 1.0 0.02 0.02) = 0.098% HA LYS+ 33 - HN GLN 30 14.286% * 0.0957% (0.96 1.0 0.02 0.02) = 0.096% HB2 SER 82 - HN GLN 30 14.286% * 0.0924% (0.92 1.0 0.02 0.02) = 0.092% HA VAL 70 - HN GLN 30 14.286% * 0.0546% (0.55 1.0 0.02 0.02) = 0.055% HA GLN 116 - HN GLN 30 14.286% * 0.0546% (0.55 1.0 0.02 0.02) = 0.055% HA SER 48 - HN GLN 30 14.286% * 0.0376% (0.38 1.0 0.02 0.02) = 0.038% Peak 1077 (3.84, 8.31, 118.54 ppm): 6 chemical-shift based assignments, quality = 0.833, support = 5.81, residual support = 128.7: O HA GLN 30 - HN GLN 30 16.667% * 99.7459% (0.84 10.0 5.82 129.04) = 99.746% kept HD3 PRO 52 - HN GLN 30 16.667% * 0.1102% (0.92 1.0 0.02 0.02) = 0.110% HB3 SER 82 - HN GLN 30 16.667% * 0.0724% (0.61 1.0 0.02 0.02) = 0.072% HB2 CYS 53 - HN GLN 30 16.667% * 0.0282% (0.24 1.0 0.02 0.02) = 0.028% QB SER 13 - HN GLN 30 16.667% * 0.0236% (0.20 1.0 0.02 0.02) = 0.024% HB THR 39 - HN GLN 30 16.667% * 0.0196% (0.16 1.0 0.02 0.02) = 0.020% Peak 1078 (2.73, 8.31, 118.54 ppm): 3 chemical-shift based assignments, quality = 0.944, support = 5.67, residual support = 101.6: HG2 GLN 30 - HN GLN 30 33.333% * 78.2582% (1.00 6.68 129.04) = 78.258% kept HB3 ASN 28 - HN GLN 30 33.333% * 20.0242% (0.78 2.17 2.78) = 20.024% kept QE LYS+ 121 - HN GLN 30 33.333% * 1.7176% (0.49 0.30 1.91) = 1.718% kept Peak 1079 (1.87, 8.31, 118.54 ppm): 12 chemical-shift based assignments, quality = 0.484, support = 4.66, residual support = 104.7: O HB3 GLN 30 - HN GLN 30 8.333% * 81.0605% (0.43 10.0 5.57 129.04) = 81.060% kept HB ILE 56 - HN GLN 30 8.333% * 8.2931% (0.92 1.0 0.95 1.05) = 8.293% kept HB3 GLN 90 - HN GLN 30 8.333% * 3.7195% (0.61 1.0 0.65 0.02) = 3.719% kept QB LYS+ 106 - HN GLN 30 8.333% * 3.7011% (0.78 1.0 0.50 0.02) = 3.701% kept HG2 ARG+ 54 - HN GLN 30 8.333% * 2.6724% (0.28 1.0 1.02 0.97) = 2.672% kept HB3 LYS+ 38 - HN GLN 30 8.333% * 0.1370% (0.73 1.0 0.02 0.02) = 0.137% QB LYS+ 81 - HN GLN 30 8.333% * 0.1370% (0.73 1.0 0.02 0.02) = 0.137% QB LYS+ 33 - HN GLN 30 8.333% * 0.0919% (0.49 1.0 0.02 0.02) = 0.092% HB3 ASP- 105 - HN GLN 30 8.333% * 0.0613% (0.32 1.0 0.02 0.02) = 0.061% HB2 MET 92 - HN GLN 30 8.333% * 0.0445% (0.24 1.0 0.02 0.02) = 0.044% HB ILE 103 - HN GLN 30 8.333% * 0.0445% (0.24 1.0 0.02 0.02) = 0.044% HG3 PRO 68 - HN GLN 30 8.333% * 0.0373% (0.20 1.0 0.02 0.02) = 0.037% Peak 1080 (0.79, 8.31, 118.54 ppm): 4 chemical-shift based assignments, quality = 0.717, support = 3.49, residual support = 15.4: HG LEU 31 - HN GLN 30 25.000% * 54.3146% (0.61 4.87 27.30) = 54.315% kept QD1 ILE 56 - HN GLN 30 25.000% * 35.4192% (1.00 1.93 1.05) = 35.419% kept HG3 LYS+ 121 - HN GLN 30 25.000% * 9.1035% (0.28 1.78 1.91) = 9.103% kept QD2 LEU 73 - HN GLN 30 25.000% * 1.1627% (0.84 0.08 0.65) = 1.163% kept Peak 1081 (1.49, 8.31, 118.54 ppm): 7 chemical-shift based assignments, quality = 0.452, support = 1.71, residual support = 3.09: QG2 THR 26 - HN GLN 30 14.286% * 82.0614% (0.49 2.00 3.48) = 82.061% kept HD2 LYS+ 121 - HN GLN 30 14.286% * 12.0308% (0.28 0.51 1.91) = 12.031% kept QB ALA 120 - HN GLN 30 14.286% * 1.5802% (0.20 0.09 0.02) = 1.580% kept HB2 LYS+ 74 - HN GLN 30 14.286% * 1.4878% (0.88 0.02 0.02) = 1.488% kept HG LEU 115 - HN GLN 30 14.286% * 1.3864% (0.20 0.08 0.43) = 1.386% kept HB3 LEU 40 - HN GLN 30 14.286% * 0.8206% (0.49 0.02 0.27) = 0.821% HG2 LYS+ 65 - HN GLN 30 14.286% * 0.6327% (0.38 0.02 0.02) = 0.633% Peak 1082 (2.06, 8.31, 118.54 ppm): 7 chemical-shift based assignments, quality = 0.483, support = 0.278, residual support = 0.733: HB2 ARG+ 54 - HN GLN 30 14.286% * 75.0918% (0.49 0.36 0.97) = 75.092% kept HB2 GLU- 14 - HN GLN 30 14.286% * 8.3929% (0.24 0.08 0.02) = 8.393% kept HB2 PRO 93 - HN GLN 30 14.286% * 8.0012% (0.92 0.02 0.02) = 8.001% kept HB VAL 108 - HN GLN 30 14.286% * 3.2530% (0.38 0.02 0.02) = 3.253% kept HG2 MET 11 - HN GLN 30 14.286% * 2.4099% (0.28 0.02 0.02) = 2.410% kept HG3 PRO 52 - HN GLN 30 14.286% * 1.4256% (0.16 0.02 0.02) = 1.426% kept HG2 PRO 58 - HN GLN 30 14.286% * 1.4256% (0.16 0.02 0.02) = 1.426% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1083 (2.16, 8.31, 118.54 ppm): 6 chemical-shift based assignments, quality = 0.876, support = 3.99, residual support = 21.2: HB3 GLU- 29 - HN GLN 30 16.667% * 45.9076% (0.78 4.73 23.07) = 45.908% kept HG3 GLU- 29 - HN GLN 30 16.667% * 45.7771% (0.96 3.86 23.07) = 45.777% kept HB2 GLN 90 - HN GLN 30 16.667% * 8.0958% (0.98 0.67 0.02) = 8.096% kept HB2 LYS+ 38 - HN GLN 30 16.667% * 0.0805% (0.32 0.02 0.02) = 0.081% QB GLU- 36 - HN GLN 30 16.667% * 0.0805% (0.32 0.02 0.02) = 0.081% HB3 GLU- 79 - HN GLN 30 16.667% * 0.0585% (0.24 0.02 0.02) = 0.058% Peak 1084 (2.24, 8.29, 121.00 ppm): 5 chemical-shift based assignments, quality = 0.543, support = 4.54, residual support = 66.1: O HB2 GLU- 29 - HN GLU- 29 20.000% * 99.4466% (0.55 10.0 4.56 66.47) = 99.447% kept HB2 ASP- 105 - HN GLU- 29 20.000% * 0.1785% (0.98 1.0 0.02 0.02) = 0.179% HG3 MET 92 - HN GLU- 29 20.000% * 0.1322% (0.73 1.0 0.02 0.02) = 0.132% HB3 ASP- 76 - HN GLU- 29 20.000% * 0.1322% (0.73 1.0 0.02 0.02) = 0.132% HG2 GLU- 100 - HN GLU- 29 20.000% * 0.1105% (0.61 1.0 0.02 0.02) = 0.110% Peak 1085 (2.17, 8.29, 121.00 ppm): 4 chemical-shift based assignments, quality = 0.596, support = 4.59, residual support = 64.2: O HB3 GLU- 29 - HN GLU- 29 25.000% * 58.4008% (0.38 10.0 4.36 66.47) = 58.401% kept HG3 GLU- 29 - HN GLU- 29 25.000% * 38.1355% (0.92 1.0 5.31 66.47) = 38.135% kept HB2 LYS+ 38 - HN GLU- 29 25.000% * 3.3599% (0.73 1.0 0.59 0.02) = 3.360% kept HB2 GLN 90 - HN GLU- 29 25.000% * 0.1038% (0.67 1.0 0.02 0.02) = 0.104% Peak 1086 (2.03, 7.18, 111.61 ppm): 10 chemical-shift based assignments, quality = 0.924, support = 3.1, residual support = 122.8: O HG3 GLN 30 - HE21 GLN 30 10.000% * 85.3563% (0.98 10.0 3.11 129.04) = 85.356% kept HB2 GLN 30 - HE21 GLN 30 10.000% * 9.7569% (0.61 1.0 3.69 129.04) = 9.757% kept HB ILE 119 - HE21 GLN 30 10.000% * 4.6601% (0.61 1.0 1.76 0.75) = 4.660% kept HB3 PRO 68 - HE21 GLN 30 10.000% * 0.0632% (0.73 1.0 0.02 0.02) = 0.063% HB3 GLU- 100 - HE21 GLN 30 10.000% * 0.0632% (0.73 1.0 0.02 0.02) = 0.063% HB2 LYS+ 111 - HE21 GLN 30 10.000% * 0.0242% (0.28 1.0 0.02 0.02) = 0.024% HB VAL 108 - HE21 GLN 30 10.000% * 0.0242% (0.28 1.0 0.02 0.02) = 0.024% HB2 ARG+ 54 - HE21 GLN 30 10.000% * 0.0172% (0.20 1.0 0.02 0.97) = 0.017% QB GLU- 15 - HE21 GLN 30 10.000% * 0.0172% (0.20 1.0 0.02 0.02) = 0.017% HB2 GLN 17 - HE21 GLN 30 10.000% * 0.0172% (0.20 1.0 0.02 0.02) = 0.017% Peak 1087 (0.72, 7.18, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.563, support = 1.13, residual support = 1.45: QD1 LEU 98 - HE21 GLN 30 50.000% * 56.4284% (0.78 0.75 1.22) = 56.428% kept QD2 LEU 104 - HE21 GLN 30 50.000% * 43.5716% (0.28 1.63 1.75) = 43.572% kept Peak 1088 (0.72, 6.64, 111.61 ppm): 2 chemical-shift based assignments, quality = 0.601, support = 0.907, residual support = 1.41: QD1 LEU 98 - HE22 GLN 30 50.000% * 64.0278% (0.78 0.75 1.22) = 64.028% kept QD2 LEU 104 - HE22 GLN 30 50.000% * 35.9722% (0.28 1.19 1.75) = 35.972% kept Peak 1089 (3.61, 8.06, 119.69 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 5.69, residual support = 34.9: O HA LEU 31 - HN GLN 32 100.000% *100.0000% (0.92 10.0 5.69 34.90) = 100.000% kept Peak 1090 (2.40, 8.06, 119.69 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 3.45, residual support = 26.7: QG GLN 32 - HN GLN 32 33.333% * 76.0697% (0.98 3.94 33.72) = 76.070% kept QG GLU- 79 - HN GLN 32 33.333% * 23.1688% (0.61 1.94 4.41) = 23.169% kept HB VAL 107 - HN GLN 32 33.333% * 0.7615% (0.43 0.09 0.02) = 0.762% Peak 1091 (2.12, 8.06, 119.69 ppm): 4 chemical-shift based assignments, quality = 0.777, support = 3.95, residual support = 33.5: O QB GLN 32 - HN GLN 32 25.000% * 99.3099% (0.78 10.0 3.98 33.72) = 99.310% kept HB VAL 24 - HN GLN 32 25.000% * 0.5143% (0.88 1.0 0.09 0.02) = 0.514% HG3 GLU- 100 - HN GLN 32 25.000% * 0.1213% (0.96 1.0 0.02 0.02) = 0.121% HB2 PRO 68 - HN GLN 32 25.000% * 0.0545% (0.43 1.0 0.02 0.02) = 0.055% Peak 1092 (1.89, 8.06, 119.69 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 1.77, residual support = 0.883: HB3 GLN 30 - HN GLN 32 20.000% * 76.4857% (0.98 2.10 0.88) = 76.486% kept HB3 PRO 58 - HN GLN 32 20.000% * 21.7994% (0.78 0.75 0.98) = 21.799% kept HB2 MET 92 - HN GLN 32 20.000% * 0.7280% (0.98 0.02 0.02) = 0.728% HB3 LYS+ 38 - HN GLN 32 20.000% * 0.5813% (0.78 0.02 0.02) = 0.581% HB ILE 56 - HN GLN 32 20.000% * 0.4056% (0.55 0.02 0.02) = 0.406% Peak 1093 (1.34, 8.06, 119.69 ppm): 11 chemical-shift based assignments, quality = 0.947, support = 4.76, residual support = 28.7: HB2 LEU 31 - HN GLN 32 9.091% * 82.0993% (0.96 5.68 34.90) = 82.099% kept HB3 LEU 80 - HN GLN 32 9.091% * 10.3528% (1.00 0.69 0.02) = 10.353% kept HB2 LEU 63 - HN GLN 32 9.091% * 6.3885% (0.92 0.46 0.02) = 6.389% kept HG2 LYS+ 111 - HN GLN 32 9.091% * 0.2670% (0.88 0.02 0.02) = 0.267% HB3 ASP- 44 - HN GLN 32 9.091% * 0.2368% (0.78 0.02 0.02) = 0.237% QB ALA 124 - HN GLN 32 9.091% * 0.1652% (0.55 0.02 0.02) = 0.165% HG2 LYS+ 99 - HN GLN 32 9.091% * 0.1473% (0.49 0.02 0.02) = 0.147% HG LEU 98 - HN GLN 32 9.091% * 0.1136% (0.38 0.02 0.02) = 0.114% HG2 LYS+ 38 - HN GLN 32 9.091% * 0.0982% (0.32 0.02 0.02) = 0.098% QB ALA 84 - HN GLN 32 9.091% * 0.0713% (0.24 0.02 0.02) = 0.071% HB3 PRO 93 - HN GLN 32 9.091% * 0.0599% (0.20 0.02 0.02) = 0.060% Peak 1094 (1.12, 8.06, 119.69 ppm): 5 chemical-shift based assignments, quality = 0.949, support = 5.65, residual support = 34.7: HB3 LEU 31 - HN GLN 32 20.000% * 99.3184% (0.96 5.69 34.90) = 99.318% kept HG13 ILE 119 - HN GLN 32 20.000% * 0.3371% (0.92 0.02 0.02) = 0.337% HD3 LYS+ 112 - HN GLN 32 20.000% * 0.1569% (0.43 0.02 0.02) = 0.157% QG1 VAL 24 - HN GLN 32 20.000% * 0.1015% (0.28 0.02 0.02) = 0.102% QB ALA 20 - HN GLN 32 20.000% * 0.0861% (0.24 0.02 0.02) = 0.086% Peak 1096 (2.40, 7.95, 120.58 ppm): 5 chemical-shift based assignments, quality = 0.644, support = 3.27, residual support = 11.4: QG GLN 32 - HN LYS+ 33 20.000% * 85.4122% (0.67 3.72 13.33) = 85.412% kept QG GLU- 79 - HN LYS+ 33 20.000% * 7.4545% (0.24 0.92 0.19) = 7.454% kept HB VAL 107 - HN LYS+ 33 20.000% * 6.8092% (0.84 0.24 0.02) = 6.809% kept QE LYS+ 112 - HN LYS+ 33 20.000% * 0.1621% (0.24 0.02 0.02) = 0.162% HB3 PHE 45 - HN LYS+ 33 20.000% * 0.1621% (0.24 0.02 0.02) = 0.162% Peak 1097 (2.11, 7.95, 120.58 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 3.71, residual support = 13.2: QB GLN 32 - HN LYS+ 33 25.000% * 98.7269% (1.00 3.76 13.33) = 98.727% kept HB VAL 24 - HN LYS+ 33 25.000% * 0.5152% (0.98 0.02 0.02) = 0.515% HB2 PRO 68 - HN LYS+ 33 25.000% * 0.4391% (0.84 0.02 0.02) = 0.439% HG3 GLU- 100 - HN LYS+ 33 25.000% * 0.3188% (0.61 0.02 0.02) = 0.319% Peak 1098 (1.87, 7.95, 120.58 ppm): 10 chemical-shift based assignments, quality = 0.925, support = 4.22, residual support = 99.7: O QB LYS+ 33 - HN LYS+ 33 10.000% * 91.3444% (0.92 10.0 4.55 108.90) = 91.344% kept QB LYS+ 106 - HN LYS+ 33 10.000% * 4.3514% (1.00 1.0 0.88 0.34) = 4.351% kept QB LYS+ 81 - HN LYS+ 33 10.000% * 3.8562% (1.00 1.0 0.78 4.99) = 3.856% kept HB3 GLN 90 - HN LYS+ 33 10.000% * 0.0970% (0.98 1.0 0.02 0.02) = 0.097% HB3 ASP- 105 - HN LYS+ 33 10.000% * 0.0775% (0.78 1.0 0.02 0.56) = 0.077% HG2 ARG+ 54 - HN LYS+ 33 10.000% * 0.0719% (0.73 1.0 0.02 0.67) = 0.072% HB ILE 103 - HN LYS+ 33 10.000% * 0.0660% (0.67 1.0 0.02 0.02) = 0.066% HG3 PRO 68 - HN LYS+ 33 10.000% * 0.0600% (0.61 1.0 0.02 0.02) = 0.060% HB ILE 56 - HN LYS+ 33 10.000% * 0.0482% (0.49 1.0 0.02 0.02) = 0.048% HB3 LYS+ 38 - HN LYS+ 33 10.000% * 0.0275% (0.28 1.0 0.02 0.02) = 0.028% Peak 1099 (1.56, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.517, support = 2.42, residual support = 73.3: HG2 LYS+ 33 - HN LYS+ 33 33.333% * 66.9633% (0.32 3.42 108.90) = 66.963% kept HG2 LYS+ 106 - HN LYS+ 33 33.333% * 26.4116% (0.92 0.47 0.34) = 26.412% kept QG LYS+ 81 - HN LYS+ 33 33.333% * 6.6251% (0.84 0.13 4.99) = 6.625% kept Peak 1100 (1.36, 7.95, 120.58 ppm): 12 chemical-shift based assignments, quality = 0.757, support = 0.585, residual support = 0.372: QB ALA 84 - HN LYS+ 33 8.333% * 65.6051% (0.88 0.71 0.43) = 65.605% kept HG3 LYS+ 106 - HN LYS+ 33 8.333% * 26.1326% (0.55 0.46 0.34) = 26.133% kept HB3 PRO 93 - HN LYS+ 33 8.333% * 1.9378% (0.92 0.02 0.02) = 1.938% kept HG LEU 98 - HN LYS+ 33 8.333% * 1.5243% (0.73 0.02 0.02) = 1.524% kept QB ALA 124 - HN LYS+ 33 8.333% * 1.1463% (0.55 0.02 0.02) = 1.146% kept HB2 LYS+ 112 - HN LYS+ 33 8.333% * 0.7879% (0.38 0.02 0.02) = 0.788% HB3 ASP- 44 - HN LYS+ 33 8.333% * 0.6815% (0.32 0.02 0.02) = 0.682% HG3 LYS+ 102 - HN LYS+ 33 8.333% * 0.5837% (0.28 0.02 0.02) = 0.584% HB3 LEU 73 - HN LYS+ 33 8.333% * 0.4949% (0.24 0.02 0.02) = 0.495% HB2 LEU 63 - HN LYS+ 33 8.333% * 0.4154% (0.20 0.02 0.02) = 0.415% HB VAL 42 - HN LYS+ 33 8.333% * 0.3453% (0.16 0.02 0.02) = 0.345% HG3 LYS+ 65 - HN LYS+ 33 8.333% * 0.3453% (0.16 0.02 0.98) = 0.345% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1101 (0.08, 7.95, 120.58 ppm): 3 chemical-shift based assignments, quality = 0.784, support = 0.366, residual support = 0.183: QG2 VAL 83 - HN LYS+ 33 33.333% * 64.6734% (0.98 0.34 0.21) = 64.673% kept QD2 LEU 31 - HN LYS+ 33 33.333% * 31.9496% (0.38 0.44 0.15) = 31.950% kept QD1 ILE 89 - HN LYS+ 33 33.333% * 3.3770% (0.88 0.02 0.02) = 3.377% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1114 (4.00, 8.36, 120.50 ppm): 7 chemical-shift based assignments, quality = 0.941, support = 1.78, residual support = 1.54: HA LYS+ 33 - HN ASN 35 14.286% * 49.9813% (0.96 2.61 2.13) = 49.981% kept HA GLU- 29 - HN ASN 35 14.286% * 26.2406% (1.00 1.31 1.63) = 26.241% kept HB2 SER 82 - HN ASN 35 14.286% * 12.6401% (0.92 0.68 0.40) = 12.640% kept HA VAL 18 - HN ASN 35 14.286% * 7.4297% (0.98 0.38 0.02) = 7.430% kept HA SER 48 - HN ASN 35 14.286% * 3.2702% (0.38 0.43 0.02) = 3.270% kept HA GLN 116 - HN ASN 35 14.286% * 0.2191% (0.55 0.02 0.02) = 0.219% HA VAL 70 - HN ASN 35 14.286% * 0.2191% (0.55 0.02 0.02) = 0.219% Peak 1115 (4.10, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.923, support = 3.43, residual support = 27.5: HA GLU- 36 - HN ASN 35 25.000% * 92.4906% (0.92 3.69 29.74) = 92.491% kept HA LYS+ 81 - HN ASN 35 25.000% * 6.9465% (1.00 0.26 0.02) = 6.946% kept HA ALA 124 - HN ASN 35 25.000% * 0.3295% (0.61 0.02 0.02) = 0.330% HA ARG+ 54 - HN ASN 35 25.000% * 0.2334% (0.43 0.02 0.02) = 0.233% Peak 1116 (2.92, 8.36, 120.50 ppm): 5 chemical-shift based assignments, quality = 0.858, support = 1.46, residual support = 1.24: QE LYS+ 33 - HN ASN 35 20.000% * 55.5302% (1.00 1.96 2.13) = 55.530% kept HB2 ASN 28 - HN ASN 35 20.000% * 19.6321% (0.92 0.75 0.21) = 19.632% kept HB2 ASP- 78 - HN ASN 35 20.000% * 15.6026% (0.43 1.27 0.13) = 15.603% kept QE LYS+ 65 - HN ASN 35 20.000% * 6.4133% (0.73 0.31 0.02) = 6.413% kept HB2 ASP- 86 - HN ASN 35 20.000% * 2.8217% (0.38 0.26 0.02) = 2.822% kept Peak 1117 (1.28, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 2.87, residual support = 11.3: QB ALA 34 - HN ASN 35 25.000% * 83.0467% (0.84 3.35 13.65) = 83.047% kept QG2 THR 23 - HN ASN 35 25.000% * 14.6905% (0.96 0.52 0.02) = 14.690% kept HG3 LYS+ 38 - HN ASN 35 25.000% * 1.9390% (0.28 0.24 0.02) = 1.939% kept QG2 ILE 56 - HN ASN 35 25.000% * 0.3238% (0.55 0.02 0.02) = 0.324% Peak 1118 (2.93, 7.61, 111.81 ppm): 5 chemical-shift based assignments, quality = 0.917, support = 3.34, residual support = 87.3: O HB2 ASN 28 - HD21 ASN 28 20.000% * 99.3772% (0.92 10.0 3.36 87.83) = 99.377% kept HB2 ASP- 86 - HD21 ASN 28 20.000% * 0.3959% (0.84 1.0 0.09 0.02) = 0.396% QE LYS+ 65 - HD21 ASN 28 20.000% * 0.1077% (1.00 1.0 0.02 0.02) = 0.108% QE LYS+ 33 - HD21 ASN 28 20.000% * 0.0843% (0.78 1.0 0.02 0.02) = 0.084% HB2 ASN 35 - HD21 ASN 28 20.000% * 0.0350% (0.32 1.0 0.02 0.21) = 0.035% Peak 1119 (2.73, 7.61, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 3.27, residual support = 85.4: O HB3 ASN 28 - HD21 ASN 28 33.333% * 97.1312% (0.78 10.0 3.35 87.83) = 97.131% kept HG2 GLN 30 - HD21 ASN 28 33.333% * 2.8084% (1.00 1.0 0.45 2.78) = 2.808% kept QE LYS+ 121 - HD21 ASN 28 33.333% * 0.0604% (0.49 1.0 0.02 0.02) = 0.060% Peak 1120 (1.06, 7.61, 111.81 ppm): 3 chemical-shift based assignments, quality = 0.71, support = 1.46, residual support = 5.15: HG LEU 63 - HD21 ASN 28 33.333% * 51.3437% (0.78 1.58 2.19) = 51.344% kept QG2 VAL 24 - HD21 ASN 28 33.333% * 37.3908% (0.55 1.65 10.78) = 37.391% kept HG3 LYS+ 112 - HD21 ASN 28 33.333% * 11.2656% (0.92 0.29 0.02) = 11.266% kept Peak 1121 (4.49, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 5.11, residual support = 30.3: O HA TRP 27 - HN ASN 28 25.000% * 98.3249% (1.00 10.0 5.19 30.81) = 98.325% kept HA VAL 107 - HN ASN 28 25.000% * 1.5698% (0.61 1.0 0.53 0.62) = 1.570% kept HA ALA 91 - HN ASN 28 25.000% * 0.0821% (0.84 1.0 0.02 0.02) = 0.082% HA PRO 52 - HN ASN 28 25.000% * 0.0232% (0.24 1.0 0.02 0.02) = 0.023% Peak 1122 (3.76, 8.80, 115.33 ppm): 2 chemical-shift based assignments, quality = 0.834, support = 6.0, residual support = 10.8: HA VAL 24 - HN ASN 28 50.000% * 99.8708% (0.84 6.01 10.78) = 99.871% kept HD2 PRO 68 - HN ASN 28 50.000% * 0.1292% (0.32 0.02 0.02) = 0.129% Peak 1124 (3.57, 8.80, 115.33 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 4.97, residual support = 30.6: HB2 TRP 27 - HN ASN 28 33.333% * 99.1694% (0.61 5.01 30.81) = 99.169% kept HA THR 77 - HN ASN 28 33.333% * 0.4350% (0.67 0.02 0.02) = 0.435% HD2 PRO 93 - HN ASN 28 33.333% * 0.3956% (0.61 0.02 0.02) = 0.396% Peak 1125 (2.93, 8.80, 115.33 ppm): 5 chemical-shift based assignments, quality = 0.916, support = 5.74, residual support = 85.8: O HB2 ASN 28 - HN ASN 28 20.000% * 97.7247% (0.92 10.0 5.87 87.83) = 97.725% kept HB2 ASP- 86 - HN ASN 28 20.000% * 1.6708% (0.84 1.0 0.38 0.02) = 1.671% kept QE LYS+ 33 - HN ASN 28 20.000% * 0.4643% (0.78 1.0 0.11 0.02) = 0.464% QE LYS+ 65 - HN ASN 28 20.000% * 0.1059% (1.00 1.0 0.02 0.02) = 0.106% HB2 ASN 35 - HN ASN 28 20.000% * 0.0344% (0.32 1.0 0.02 0.21) = 0.034% Peak 1126 (2.73, 8.80, 115.33 ppm): 3 chemical-shift based assignments, quality = 0.805, support = 5.44, residual support = 78.5: O HB3 ASN 28 - HN ASN 28 33.333% * 89.0084% (0.78 10.0 5.87 87.83) = 89.008% kept HG2 GLN 30 - HN ASN 28 33.333% * 10.9362% (1.00 1.0 1.93 2.78) = 10.936% kept QE LYS+ 121 - HN ASN 28 33.333% * 0.0554% (0.49 1.0 0.02 0.02) = 0.055% Peak 1127 (2.19, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.769, support = 0.652, residual support = 3.95: HB2 GLU- 25 - HN ASN 28 25.000% * 94.9786% (0.78 0.69 4.16) = 94.979% kept QG GLN 17 - HN ASN 28 25.000% * 2.1479% (0.61 0.02 0.02) = 2.148% kept HB VAL 70 - HN ASN 28 25.000% * 1.7237% (0.49 0.02 0.02) = 1.724% kept HB2 LYS+ 38 - HN ASN 28 25.000% * 1.1497% (0.32 0.02 0.02) = 1.150% kept Peak 1128 (1.09, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.457, support = 1.99, residual support = 6.95: QG1 VAL 107 - HN ASN 28 25.000% * 36.6132% (0.84 0.81 0.62) = 36.613% kept QG2 VAL 24 - HN ASN 28 25.000% * 32.3156% (0.16 3.64 10.78) = 32.316% kept QG1 VAL 24 - HN ASN 28 25.000% * 30.0769% (0.32 1.71 10.78) = 30.077% kept HD3 LYS+ 112 - HN ASN 28 25.000% * 0.9943% (0.20 0.09 0.02) = 0.994% Peak 1129 (0.61, 8.80, 115.33 ppm): 4 chemical-shift based assignments, quality = 0.384, support = 1.14, residual support = 0.362: QD1 LEU 104 - HN ASN 28 25.000% * 48.9043% (0.43 0.91 0.33) = 48.904% kept QD2 LEU 80 - HN ASN 28 25.000% * 37.7387% (0.16 1.83 0.52) = 37.739% kept QG1 VAL 83 - HN ASN 28 25.000% * 10.3660% (1.00 0.08 0.02) = 10.366% kept QG2 ILE 89 - HN ASN 28 25.000% * 2.9911% (0.28 0.09 0.02) = 2.991% kept Peak 1130 (3.77, 7.73, 123.24 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 2.71, residual support = 11.9: HA VAL 24 - HN TRP 27 25.000% * 71.3410% (0.98 2.88 15.72) = 71.341% kept HA LYS+ 38 - HN TRP 27 25.000% * 28.5857% (0.49 2.32 2.52) = 28.586% kept HA VAL 24 - HN ALA 91 25.000% * 0.0490% (0.10 0.02 0.02) = 0.049% HA LYS+ 38 - HN ALA 91 25.000% * 0.0243% (0.05 0.02 0.02) = 0.024% Peak 1131 (3.56, 7.73, 123.24 ppm): 6 chemical-shift based assignments, quality = 0.975, support = 5.32, residual support = 89.2: O HB2 TRP 27 - HN TRP 27 16.667% * 99.4524% (0.98 10.0 5.35 89.72) = 99.452% kept HA THR 77 - HN TRP 27 16.667% * 0.4261% (0.24 1.0 0.36 0.02) = 0.426% HD2 PRO 93 - HN TRP 27 16.667% * 0.0995% (0.98 1.0 0.02 0.02) = 0.099% HD2 PRO 93 - HN ALA 91 16.667% * 0.0098% (0.10 1.0 0.02 0.02) = 0.010% HB2 TRP 27 - HN ALA 91 16.667% * 0.0098% (0.10 1.0 0.02 0.02) = 0.010% HA THR 77 - HN ALA 91 16.667% * 0.0024% (0.02 1.0 0.02 0.02) = 0.002% Peak 1132 (2.99, 7.73, 123.24 ppm): 8 chemical-shift based assignments, quality = 0.978, support = 5.39, residual support = 89.6: O HB3 TRP 27 - HN TRP 27 12.500% * 99.8205% (0.98 10.0 5.40 89.72) = 99.820% kept HB2 PHE 97 - HN TRP 27 12.500% * 0.0974% (0.96 1.0 0.02 0.02) = 0.097% QE LYS+ 106 - HN TRP 27 12.500% * 0.0331% (0.32 1.0 0.02 0.02) = 0.033% QE LYS+ 99 - HN TRP 27 12.500% * 0.0240% (0.24 1.0 0.02 0.02) = 0.024% HB3 TRP 27 - HN ALA 91 12.500% * 0.0098% (0.10 1.0 0.02 0.02) = 0.010% HB2 PHE 97 - HN ALA 91 12.500% * 0.0096% (0.09 1.0 0.02 0.02) = 0.010% QE LYS+ 106 - HN ALA 91 12.500% * 0.0033% (0.03 1.0 0.02 0.02) = 0.003% QE LYS+ 99 - HN ALA 91 12.500% * 0.0024% (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 = 0.239, support = 0.42, residual support = 0.521: HB3 CYS 21 - HN TRP 27 25.000% * 93.3074% (0.24 0.45 0.56) = 93.307% kept HG2 MET 96 - HN TRP 27 25.000% * 5.7187% (0.32 0.02 0.02) = 5.719% kept HG2 MET 96 - HN ALA 91 25.000% * 0.5642% (0.03 0.02 0.02) = 0.564% HB3 CYS 21 - HN ALA 91 25.000% * 0.4097% (0.02 0.02 0.02) = 0.410% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1135 (1.50, 7.73, 123.24 ppm): 10 chemical-shift based assignments, quality = 0.899, support = 4.11, residual support = 14.5: QG2 THR 26 - HN TRP 27 10.000% * 86.8210% (0.96 4.61 16.73) = 86.821% kept HB2 LYS+ 74 - HN TRP 27 10.000% * 11.3995% (0.61 0.95 0.02) = 11.400% kept QD LYS+ 66 - HN TRP 27 10.000% * 0.8359% (0.55 0.08 0.02) = 0.836% HD2 LYS+ 121 - HN TRP 27 10.000% * 0.3921% (1.00 0.02 0.02) = 0.392% HG2 LYS+ 65 - HN TRP 27 10.000% * 0.3921% (1.00 0.02 0.02) = 0.392% HD2 LYS+ 121 - HN ALA 91 10.000% * 0.0387% (0.10 0.02 0.02) = 0.039% HG2 LYS+ 65 - HN ALA 91 10.000% * 0.0387% (0.10 0.02 0.02) = 0.039% QG2 THR 26 - HN ALA 91 10.000% * 0.0372% (0.09 0.02 0.02) = 0.037% HB2 LYS+ 74 - HN ALA 91 10.000% * 0.0236% (0.06 0.02 0.02) = 0.024% QD LYS+ 66 - HN ALA 91 10.000% * 0.0212% (0.05 0.02 0.02) = 0.021% Peak 1136 (0.58, 7.73, 123.24 ppm): 12 chemical-shift based assignments, quality = 0.742, support = 1.83, residual support = 4.85: QD1 LEU 73 - HN TRP 27 8.333% * 25.8920% (1.00 1.61 2.75) = 25.892% kept QD2 LEU 80 - HN TRP 27 8.333% * 22.6509% (0.55 2.57 7.12) = 22.651% kept QD1 LEU 63 - HN TRP 27 8.333% * 21.7371% (1.00 1.35 3.06) = 21.737% kept QD2 LEU 115 - HN TRP 27 8.333% * 19.4048% (0.61 1.98 8.39) = 19.405% kept QD1 LEU 104 - HN TRP 27 8.333% * 6.9238% (0.24 1.82 1.97) = 6.924% kept QD2 LEU 63 - HN TRP 27 8.333% * 3.2735% (0.32 0.63 3.06) = 3.274% kept QD1 LEU 63 - HN ALA 91 8.333% * 0.0317% (0.10 0.02 0.02) = 0.032% QD1 LEU 73 - HN ALA 91 8.333% * 0.0317% (0.10 0.02 0.02) = 0.032% QD2 LEU 115 - HN ALA 91 8.333% * 0.0193% (0.06 0.02 0.02) = 0.019% QD2 LEU 80 - HN ALA 91 8.333% * 0.0174% (0.05 0.02 0.02) = 0.017% QD2 LEU 63 - HN ALA 91 8.333% * 0.0103% (0.03 0.02 0.02) = 0.010% QD1 LEU 104 - HN ALA 91 8.333% * 0.0075% (0.02 0.02 0.02) = 0.008% Peak 1137 (0.14, 7.73, 123.24 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 0.827, residual support = 1.87: QG2 VAL 75 - HN TRP 27 25.000% * 67.1085% (0.88 1.02 2.11) = 67.108% kept QG2 VAL 42 - HN TRP 27 25.000% * 32.6151% (1.00 0.44 1.39) = 32.615% kept QG2 VAL 42 - HN ALA 91 25.000% * 0.1465% (0.10 0.02 0.02) = 0.147% QG2 VAL 75 - HN ALA 91 25.000% * 0.1300% (0.09 0.02 0.02) = 0.130% Peak 1138 (4.49, 10.20, 129.00 ppm): 4 chemical-shift based assignments, quality = 0.981, support = 2.48, residual support = 88.5: HA TRP 27 - HE1 TRP 27 25.000% * 98.6238% (1.00 2.52 89.72) = 98.624% kept HA ALA 91 - HE1 TRP 27 25.000% * 0.6950% (0.88 0.02 0.02) = 0.695% HA VAL 107 - HE1 TRP 27 25.000% * 0.5253% (0.67 0.02 0.29) = 0.525% HA PRO 52 - HE1 TRP 27 25.000% * 0.1559% (0.20 0.02 0.02) = 0.156% Peak 1139 (0.59, 10.20, 129.00 ppm): 5 chemical-shift based assignments, quality = 0.889, support = 1.13, residual support = 5.81: QD2 LEU 115 - HE1 TRP 27 20.000% * 32.4575% (1.00 1.41 8.39) = 32.457% kept QD2 LEU 80 - HE1 TRP 27 20.000% * 29.8091% (0.98 1.31 7.12) = 29.809% kept QD1 LEU 104 - HE1 TRP 27 20.000% * 14.1181% (0.73 0.84 1.97) = 14.118% kept QD1 LEU 63 - HE1 TRP 27 20.000% * 12.0913% (0.73 0.72 3.06) = 12.091% kept QD1 LEU 73 - HE1 TRP 27 20.000% * 11.5240% (0.73 0.68 2.75) = 11.524% kept Peak 1140 (0.05, 10.20, 129.00 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.572, residual support = 2.54: QG2 VAL 43 - HE1 TRP 27 100.000% *100.0000% (0.98 0.57 2.54) = 100.000% kept Peak 1141 (2.19, 8.12, 116.43 ppm): 4 chemical-shift based assignments, quality = 0.742, support = 4.33, residual support = 19.1: HB2 GLU- 25 - HN THR 26 25.000% * 88.9845% (0.78 4.78 21.51) = 88.985% kept HB2 LYS+ 38 - HN THR 26 25.000% * 7.1879% (0.32 0.93 0.02) = 7.188% kept QG GLN 17 - HN THR 26 25.000% * 3.5962% (0.61 0.25 0.02) = 3.596% kept HB VAL 70 - HN THR 26 25.000% * 0.2314% (0.49 0.02 0.33) = 0.231% Peak 1142 (2.02, 8.12, 116.43 ppm): 9 chemical-shift based assignments, quality = 0.379, support = 3.57, residual support = 16.0: HB3 GLU- 25 - HN THR 26 11.111% * 73.6621% (0.28 4.76 21.51) = 73.662% kept HB2 LYS+ 111 - HN THR 26 11.111% * 14.7563% (0.67 0.40 0.02) = 14.756% kept HB3 PRO 68 - HN THR 26 11.111% * 5.0470% (1.00 0.09 0.02) = 5.047% kept HG3 GLN 30 - HN THR 26 11.111% * 3.4675% (0.67 0.09 3.48) = 3.468% kept HB2 GLN 30 - HN THR 26 11.111% * 1.2256% (0.24 0.09 3.48) = 1.226% kept QB GLU- 15 - HN THR 26 11.111% * 0.6085% (0.55 0.02 0.02) = 0.609% HB2 GLN 17 - HN THR 26 11.111% * 0.6085% (0.55 0.02 0.02) = 0.609% HB3 GLU- 100 - HN THR 26 11.111% * 0.3618% (0.32 0.02 0.02) = 0.362% HB ILE 119 - HN THR 26 11.111% * 0.2627% (0.24 0.02 0.02) = 0.263% Peak 1143 (1.50, 8.12, 116.43 ppm): 6 chemical-shift based assignments, quality = 0.884, support = 3.62, residual support = 18.2: QG2 THR 26 - HN THR 26 16.667% * 79.4512% (0.88 4.40 22.87) = 79.451% kept HB2 LYS+ 74 - HN THR 26 16.667% * 14.4978% (0.98 0.72 0.11) = 14.498% kept HG2 LYS+ 65 - HN THR 26 16.667% * 5.1710% (0.78 0.32 0.29) = 5.171% kept QD LYS+ 66 - HN THR 26 16.667% * 0.3062% (0.16 0.09 0.02) = 0.306% HB3 LEU 40 - HN THR 26 16.667% * 0.3009% (0.16 0.09 0.02) = 0.301% HD2 LYS+ 121 - HN THR 26 16.667% * 0.2728% (0.67 0.02 0.02) = 0.273% Peak 1144 (1.32, 8.12, 116.43 ppm): 7 chemical-shift based assignments, quality = 0.467, support = 0.615, residual support = 0.159: QG2 THR 77 - HN THR 26 14.286% * 35.9829% (0.20 1.26 0.36) = 35.983% kept HG2 LYS+ 111 - HN THR 26 14.286% * 27.4259% (0.55 0.35 0.02) = 27.426% kept HB2 LEU 31 - HN THR 26 14.286% * 18.2996% (0.43 0.30 0.11) = 18.300% kept HG2 LYS+ 38 - HN THR 26 14.286% * 12.8487% (1.00 0.09 0.02) = 12.849% kept HG2 LYS+ 99 - HN THR 26 14.286% * 2.6655% (0.92 0.02 0.02) = 2.665% kept QB ALA 88 - HN THR 26 14.286% * 2.0968% (0.73 0.02 0.02) = 2.097% kept HB3 LEU 80 - HN THR 26 14.286% * 0.6807% (0.24 0.02 0.02) = 0.681% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1145 (3.76, 8.78, 120.28 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 5.43, residual support = 31.0: O HA VAL 24 - HN GLU- 25 50.000% * 99.9611% (0.84 10.0 5.44 31.01) = 99.961% kept HD2 PRO 68 - HN GLU- 25 50.000% * 0.0389% (0.32 1.0 0.02 0.02) = 0.039% Peak 1146 (2.18, 8.78, 120.28 ppm): 4 chemical-shift based assignments, quality = 0.324, support = 5.81, residual support = 113.7: O HB2 GLU- 25 - HN GLU- 25 25.000% * 99.6485% (0.32 10.0 5.83 114.09) = 99.649% kept HB2 LYS+ 38 - HN GLU- 25 25.000% * 0.2402% (0.78 1.0 0.02 0.02) = 0.240% QG GLN 17 - HN GLU- 25 25.000% * 0.0607% (0.20 1.0 0.02 0.02) = 0.061% HG3 GLU- 29 - HN GLU- 25 25.000% * 0.0505% (0.16 1.0 0.02 0.02) = 0.050% Peak 1147 (2.02, 8.78, 120.28 ppm): 9 chemical-shift based assignments, quality = 0.298, support = 5.36, residual support = 105.1: O HB3 GLU- 25 - HN GLU- 25 11.111% * 92.1011% (0.28 10.0 5.80 114.09) = 92.101% kept HB2 LYS+ 111 - HN GLU- 25 11.111% * 3.8258% (0.67 1.0 0.35 0.02) = 3.826% kept HB2 GLN 17 - HN GLU- 25 11.111% * 3.0780% (0.55 1.0 0.34 0.02) = 3.078% kept HB3 PRO 68 - HN GLU- 25 11.111% * 0.3296% (1.00 1.0 0.02 0.02) = 0.330% HG3 GLN 30 - HN GLU- 25 11.111% * 0.2209% (0.67 1.0 0.02 0.02) = 0.221% QB GLU- 15 - HN GLU- 25 11.111% * 0.1809% (0.55 1.0 0.02 0.02) = 0.181% HB3 GLU- 100 - HN GLU- 25 11.111% * 0.1075% (0.32 1.0 0.02 0.02) = 0.108% HB ILE 119 - HN GLU- 25 11.111% * 0.0781% (0.24 1.0 0.02 0.02) = 0.078% HB2 GLN 30 - HN GLU- 25 11.111% * 0.0781% (0.24 1.0 0.02 0.02) = 0.078% Peak 1148 (1.29, 8.78, 120.28 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 2.58, residual support = 3.59: QG2 THR 23 - HN GLU- 25 50.000% * 74.4172% (0.49 3.10 4.71) = 74.417% kept QG2 THR 77 - HN GLU- 25 50.000% * 25.5828% (0.49 1.07 0.33) = 25.583% kept Peak 1149 (1.07, 8.78, 120.28 ppm): 3 chemical-shift based assignments, quality = 0.919, support = 4.22, residual support = 30.9: QG2 VAL 24 - HN GLU- 25 33.333% * 99.5473% (0.92 4.24 31.01) = 99.547% kept HG LEU 63 - HN GLU- 25 33.333% * 0.3691% (0.73 0.02 0.02) = 0.369% HG3 LYS+ 112 - HN GLU- 25 33.333% * 0.0836% (0.16 0.02 0.02) = 0.084% Peak 1150 (2.52, 8.78, 120.28 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 5.23, residual support = 114.0: HG2 GLU- 25 - HN GLU- 25 50.000% * 99.9181% (0.92 5.23 114.09) = 99.918% kept HB3 PHE 95 - HN GLU- 25 50.000% * 0.0819% (0.20 0.02 0.02) = 0.082% Peak 1151 (3.76, 9.21, 123.27 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 3.97, residual support = 56.9: O HA VAL 24 - HN VAL 24 50.000% * 99.9611% (0.84 10.0 3.97 56.88) = 99.961% kept HD2 PRO 68 - HN VAL 24 50.000% * 0.0389% (0.32 1.0 0.02 0.02) = 0.039% Peak 1152 (2.12, 9.21, 123.27 ppm): 4 chemical-shift based assignments, quality = 0.88, support = 4.21, residual support = 56.7: O HB VAL 24 - HN VAL 24 25.000% * 99.7549% (0.88 10.0 4.22 56.88) = 99.755% kept HG3 GLU- 100 - HN VAL 24 25.000% * 0.1081% (0.96 1.0 0.02 0.02) = 0.108% QB GLN 32 - HN VAL 24 25.000% * 0.0885% (0.78 1.0 0.02 0.02) = 0.088% HB2 PRO 68 - HN VAL 24 25.000% * 0.0486% (0.43 1.0 0.02 0.02) = 0.049% Peak 1153 (1.29, 9.21, 123.27 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 10.4: QG2 THR 23 - HN VAL 24 50.000% * 76.2783% (0.49 3.91 13.55) = 76.278% kept QG2 THR 77 - HN VAL 24 50.000% * 23.7217% (0.49 1.22 0.30) = 23.722% kept Peak 1154 (1.10, 9.21, 123.27 ppm): 3 chemical-shift based assignments, quality = 0.774, support = 3.68, residual support = 56.3: QG1 VAL 24 - HN VAL 24 33.333% * 98.9220% (0.78 3.72 56.88) = 98.922% kept QG1 VAL 107 - HN VAL 24 33.333% * 0.6659% (0.98 0.02 0.02) = 0.666% HD3 LYS+ 112 - HN VAL 24 33.333% * 0.4121% (0.61 0.02 0.02) = 0.412% Peak 1155 (0.58, 9.21, 123.27 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 1.33, residual support = 0.886: QD1 LEU 63 - HN VAL 24 16.667% * 53.5965% (1.00 1.81 1.23) = 53.596% kept QD1 LEU 73 - HN VAL 24 16.667% * 15.6328% (1.00 0.53 0.27) = 15.633% kept QD2 LEU 80 - HN VAL 24 16.667% * 13.4060% (0.55 0.82 0.28) = 13.406% kept QD2 LEU 63 - HN VAL 24 16.667% * 12.0703% (0.32 1.25 1.23) = 12.070% kept QD2 LEU 115 - HN VAL 24 16.667% * 5.1541% (0.61 0.29 0.02) = 5.154% kept QD1 LEU 104 - HN VAL 24 16.667% * 0.1403% (0.24 0.02 0.02) = 0.140% Peak 1156 (3.49, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.928, support = 4.17, residual support = 12.5: HB2 HIS 22 - HN THR 23 50.000% * 83.4061% (0.98 4.72 14.71) = 83.406% kept HA LEU 63 - HN THR 23 50.000% * 16.5939% (0.67 1.38 1.70) = 16.594% kept Peak 1157 (3.23, 7.33, 104.59 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 4.62, residual support = 14.7: HB3 HIS 22 - HN THR 23 100.000% *100.0000% (0.55 4.62 14.71) = 100.000% kept Peak 1158 (2.58, 7.33, 104.59 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 2.0, residual support = 2.4: HB3 CYS 21 - HN THR 23 100.000% *100.0000% (1.00 2.00 2.40) = 100.000% kept Peak 1159 (1.49, 7.33, 104.59 ppm): 7 chemical-shift based assignments, quality = 0.498, support = 1.34, residual support = 5.28: QG2 THR 26 - HN THR 23 14.286% * 73.0773% (0.49 1.74 7.21) = 73.077% kept HB2 LYS+ 74 - HN THR 23 14.286% * 12.5764% (0.88 0.16 0.02) = 12.576% kept HG LEU 115 - HN THR 23 14.286% * 9.1138% (0.20 0.53 0.02) = 9.114% kept HG2 LYS+ 65 - HN THR 23 14.286% * 3.5694% (0.38 0.11 0.02) = 3.569% kept HB3 LEU 40 - HN THR 23 14.286% * 0.8409% (0.49 0.02 0.14) = 0.841% HD2 LYS+ 121 - HN THR 23 14.286% * 0.4803% (0.28 0.02 0.02) = 0.480% QB ALA 120 - HN THR 23 14.286% * 0.3419% (0.20 0.02 0.02) = 0.342% Peak 1160 (1.30, 7.33, 104.59 ppm): 2 chemical-shift based assignments, quality = 0.8, support = 1.64, residual support = 1.18: QG2 THR 77 - HN THR 23 50.000% * 77.5008% (0.92 1.75 1.47) = 77.501% kept QB ALA 88 - HN THR 23 50.000% * 22.4992% (0.38 1.25 0.20) = 22.499% kept Peak 1161 (0.57, 7.33, 104.59 ppm): 6 chemical-shift based assignments, quality = 0.731, support = 1.55, residual support = 1.55: QD2 LEU 63 - HN THR 23 16.667% * 64.0453% (1.00 1.53 1.70) = 64.045% kept QD1 LEU 63 - HN THR 23 16.667% * 21.9976% (0.24 2.22 1.70) = 21.998% kept QD1 LEU 73 - HN THR 23 16.667% * 6.9762% (0.24 0.71 0.02) = 6.976% kept QG2 VAL 41 - HN THR 23 16.667% * 6.7050% (0.38 0.43 1.28) = 6.705% kept QD2 LEU 98 - HN THR 23 16.667% * 0.1380% (0.16 0.02 0.02) = 0.138% QD1 LEU 80 - HN THR 23 16.667% * 0.1380% (0.16 0.02 0.15) = 0.138% Peak 1162 (3.23, 9.10, 120.75 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 3.08, residual support = 32.1: O HB3 HIS 22 - HN HIS 22 50.000% * 99.9491% (0.96 10.0 3.08 32.09) = 99.949% kept HD3 ARG+ 54 - HN HIS 22 50.000% * 0.0509% (0.49 1.0 0.02 0.02) = 0.051% Peak 1163 (1.62, 7.87, 121.30 ppm): 10 chemical-shift based assignments, quality = 0.7, support = 0.862, residual support = 0.462: QD LYS+ 33 - HN ARG+ 54 10.000% * 42.2217% (0.84 1.00 0.67) = 42.222% kept HD3 LYS+ 111 - HN ARG+ 54 10.000% * 29.9644% (0.54 1.12 0.43) = 29.964% kept HB3 LEU 123 - HN ARG+ 54 10.000% * 16.7193% (0.84 0.39 0.30) = 16.719% kept QB ALA 57 - HN ARG+ 54 10.000% * 8.3026% (0.48 0.34 0.02) = 8.303% kept HB3 LEU 123 - HN ASP- 62 10.000% * 2.4120% (0.10 0.49 0.02) = 2.412% kept HD2 LYS+ 74 - HN ARG+ 54 10.000% * 0.1457% (0.15 0.02 0.02) = 0.146% QD LYS+ 33 - HN ASP- 62 10.000% * 0.0985% (0.10 0.02 0.02) = 0.099% HD3 LYS+ 111 - HN ASP- 62 10.000% * 0.0625% (0.06 0.02 0.02) = 0.063% QB ALA 57 - HN ASP- 62 10.000% * 0.0563% (0.06 0.02 0.02) = 0.056% HD2 LYS+ 74 - HN ASP- 62 10.000% * 0.0170% (0.02 0.02 0.02) = 0.017% Peak 1165 (3.08, 7.93, 121.01 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 3.38, residual support = 28.6: O HB2 CYS 21 - HN CYS 21 50.000% * 99.9788% (0.78 10.0 3.38 28.57) = 99.979% kept HB2 CYS 21 - HN ILE 119 50.000% * 0.0212% (0.17 1.0 0.02 0.02) = 0.021% Peak 1166 (2.60, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.235, support = 3.38, residual support = 28.5: O HB3 CYS 21 - HN CYS 21 25.000% * 99.8123% (0.24 10.0 3.39 28.57) = 99.812% kept HG2 MET 96 - HN CYS 21 25.000% * 0.1375% (0.32 1.0 0.02 0.02) = 0.137% HG2 MET 96 - HN ILE 119 25.000% * 0.0291% (0.07 1.0 0.02 0.02) = 0.029% HB3 CYS 21 - HN ILE 119 25.000% * 0.0211% (0.05 1.0 0.02 0.02) = 0.021% Peak 1167 (1.84, 7.93, 121.01 ppm): 10 chemical-shift based assignments, quality = 0.842, support = 0.999, residual support = 0.841: HB3 PRO 52 - HN CYS 21 10.000% * 28.0424% (1.00 1.05 1.03) = 28.042% kept HG LEU 123 - HN CYS 21 10.000% * 28.0424% (1.00 1.05 1.03) = 28.042% kept HB VAL 41 - HN CYS 21 10.000% * 19.9756% (0.61 1.23 0.90) = 19.976% kept HG12 ILE 103 - HN CYS 21 10.000% * 17.2925% (0.84 0.77 0.45) = 17.293% kept QB LYS+ 66 - HN CYS 21 10.000% * 4.1458% (0.32 0.48 0.02) = 4.146% kept HG LEU 123 - HN ILE 119 10.000% * 2.1884% (0.21 0.39 0.16) = 2.188% kept HB3 PRO 52 - HN ILE 119 10.000% * 0.1127% (0.21 0.02 0.02) = 0.113% HG12 ILE 103 - HN ILE 119 10.000% * 0.0946% (0.18 0.02 0.02) = 0.095% HB VAL 41 - HN ILE 119 10.000% * 0.0687% (0.13 0.02 0.02) = 0.069% QB LYS+ 66 - HN ILE 119 10.000% * 0.0368% (0.07 0.02 0.02) = 0.037% Peak 1168 (1.13, 7.93, 121.01 ppm): 8 chemical-shift based assignments, quality = 0.488, support = 4.15, residual support = 83.2: QB ALA 20 - HN CYS 21 12.500% * 51.4526% (0.61 3.26 13.99) = 51.453% kept HG13 ILE 119 - HN ILE 119 12.500% * 35.7516% (0.20 6.78 212.54) = 35.752% kept HB3 LEU 31 - HN CYS 21 12.500% * 11.1889% (0.92 0.47 0.02) = 11.189% kept HD3 LYS+ 112 - HN ILE 119 12.500% * 0.8700% (0.03 1.17 0.02) = 0.870% HG13 ILE 119 - HN CYS 21 12.500% * 0.4977% (0.96 0.02 0.02) = 0.498% HB3 LEU 31 - HN ILE 119 12.500% * 0.1018% (0.20 0.02 0.02) = 0.102% HD3 LYS+ 112 - HN CYS 21 12.500% * 0.0705% (0.14 0.02 0.02) = 0.070% QB ALA 20 - HN ILE 119 12.500% * 0.0669% (0.13 0.02 0.02) = 0.067% Peak 1169 (0.76, 7.93, 121.01 ppm): 12 chemical-shift based assignments, quality = 0.771, support = 0.78, residual support = 0.742: QG1 VAL 41 - HN CYS 21 8.333% * 69.8595% (0.96 0.90 0.90) = 69.860% kept QD2 LEU 73 - HN CYS 21 8.333% * 17.4546% (0.28 0.77 0.64) = 17.455% kept QG1 VAL 43 - HN CYS 21 8.333% * 6.8247% (0.73 0.12 0.02) = 6.825% kept QG1 VAL 41 - HN ILE 119 8.333% * 2.1527% (0.20 0.13 0.02) = 2.153% kept QD2 LEU 73 - HN ILE 119 8.333% * 1.3032% (0.06 0.27 0.02) = 1.303% kept HG LEU 31 - HN CYS 21 8.333% * 0.7888% (0.49 0.02 0.02) = 0.789% QG2 VAL 18 - HN CYS 21 8.333% * 0.6082% (0.38 0.02 0.02) = 0.608% QG2 THR 46 - HN CYS 21 8.333% * 0.3820% (0.24 0.02 0.02) = 0.382% QG1 VAL 43 - HN ILE 119 8.333% * 0.2493% (0.15 0.02 0.02) = 0.249% HG LEU 31 - HN ILE 119 8.333% * 0.1671% (0.10 0.02 0.02) = 0.167% QG2 VAL 18 - HN ILE 119 8.333% * 0.1288% (0.08 0.02 0.02) = 0.129% QG2 THR 46 - HN ILE 119 8.333% * 0.0809% (0.05 0.02 0.02) = 0.081% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1170 (0.57, 7.93, 121.01 ppm): 12 chemical-shift based assignments, quality = 0.618, support = 1.54, residual support = 2.75: QD2 LEU 63 - HN CYS 21 8.333% * 47.2398% (1.00 1.30 3.80) = 47.240% kept QD1 LEU 63 - HN CYS 21 8.333% * 18.2857% (0.24 2.13 3.80) = 18.286% kept QG2 VAL 41 - HN CYS 21 8.333% * 17.5915% (0.38 1.28 0.90) = 17.591% kept QD1 LEU 73 - HN CYS 21 8.333% * 16.3076% (0.24 1.90 0.64) = 16.308% kept QD2 LEU 63 - HN ILE 119 8.333% * 0.1538% (0.21 0.02 0.02) = 0.154% QD1 LEU 80 - HN CYS 21 8.333% * 0.1200% (0.16 0.02 0.02) = 0.120% QD2 LEU 98 - HN CYS 21 8.333% * 0.1200% (0.16 0.02 0.02) = 0.120% QG2 VAL 41 - HN ILE 119 8.333% * 0.0580% (0.08 0.02 0.02) = 0.058% QD1 LEU 63 - HN ILE 119 8.333% * 0.0364% (0.05 0.02 0.02) = 0.036% QD1 LEU 73 - HN ILE 119 8.333% * 0.0364% (0.05 0.02 0.02) = 0.036% QD2 LEU 98 - HN ILE 119 8.333% * 0.0254% (0.03 0.02 0.02) = 0.025% QD1 LEU 80 - HN ILE 119 8.333% * 0.0254% (0.03 0.02 0.02) = 0.025% Peak 1172 (8.16, 7.92, 121.27 ppm): 6 chemical-shift based assignments, quality = 0.595, support = 1.2, residual support = 3.5: HN GLU- 114 - HN ILE 119 16.667% * 54.8362% (0.88 0.80 1.00) = 54.836% kept HN GLN 116 - HN ILE 119 16.667% * 36.2858% (0.24 1.99 8.14) = 36.286% kept HN GLU- 114 - HN CYS 21 16.667% * 7.1485% (0.19 0.50 0.02) = 7.149% kept HN LEU 71 - HN ILE 119 16.667% * 1.3635% (0.88 0.02 0.13) = 1.363% kept HN LEU 71 - HN CYS 21 16.667% * 0.2888% (0.19 0.02 0.02) = 0.289% HN GLN 116 - HN CYS 21 16.667% * 0.0771% (0.05 0.02 0.02) = 0.077% Peak 1173 (7.23, 7.92, 121.27 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 0.666, residual support = 2.48: HH2 TRP 87 - HN ILE 119 16.667% * 45.8729% (1.00 0.70 0.59) = 45.873% kept HN HIS 122 - HN ILE 119 16.667% * 45.6413% (1.00 0.70 4.00) = 45.641% kept HN PHE 59 - HN ILE 119 16.667% * 6.4098% (0.28 0.35 5.99) = 6.410% kept HN HIS 122 - HN CYS 21 16.667% * 1.7222% (0.21 0.12 0.02) = 1.722% kept HH2 TRP 87 - HN CYS 21 16.667% * 0.2766% (0.21 0.02 0.02) = 0.277% HN PHE 59 - HN CYS 21 16.667% * 0.0773% (0.06 0.02 0.02) = 0.077% Peak 1174 (8.71, 7.93, 121.01 ppm): 2 chemical-shift based assignments, quality = 0.881, support = 3.03, residual support = 14.0: HN ALA 20 - HN CYS 21 50.000% * 99.8605% (0.88 3.03 13.99) = 99.860% kept HN ALA 20 - HN ILE 119 50.000% * 0.1395% (0.19 0.02 0.02) = 0.140% Peak 1175 (7.42, 7.92, 121.27 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 4.43, residual support = 29.8: T HN ALA 120 - HN ILE 119 16.667% * 96.9404% (1.00 10.00 4.56 30.57) = 96.940% kept HE21 GLN 116 - HN ILE 119 16.667% * 1.9750% (0.61 1.00 0.67 8.14) = 1.975% kept T HN ALA 120 - HN CYS 21 16.667% * 1.0149% (0.21 10.00 0.10 0.02) = 1.015% kept HN ALA 57 - HN ILE 119 16.667% * 0.0472% (0.49 1.00 0.02 0.02) = 0.047% HE21 GLN 116 - HN CYS 21 16.667% * 0.0125% (0.13 1.00 0.02 0.02) = 0.012% HN ALA 57 - HN CYS 21 16.667% * 0.0100% (0.10 1.00 0.02 0.02) = 0.010% Peak 1176 (3.87, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.882, support = 3.39, residual support = 41.8: HB THR 118 - HN ILE 119 10.000% * 73.0543% (0.96 4.21 55.89) = 73.054% kept HA ILE 89 - HN ILE 119 10.000% * 19.8779% (0.78 1.40 4.52) = 19.878% kept HA ILE 89 - HN CYS 21 10.000% * 3.0983% (0.17 1.03 0.43) = 3.098% kept HB3 SER 37 - HN ILE 119 10.000% * 1.9913% (0.78 0.14 1.95) = 1.991% kept HB THR 39 - HN ILE 119 10.000% * 1.2992% (0.55 0.13 0.02) = 1.299% kept HB THR 118 - HN CYS 21 10.000% * 0.3630% (0.20 0.10 0.02) = 0.363% QB SER 13 - HN ILE 119 10.000% * 0.1765% (0.49 0.02 0.02) = 0.177% HB3 SER 37 - HN CYS 21 10.000% * 0.0601% (0.17 0.02 0.02) = 0.060% HB THR 39 - HN CYS 21 10.000% * 0.0419% (0.12 0.02 0.02) = 0.042% QB SER 13 - HN CYS 21 10.000% * 0.0374% (0.10 0.02 0.02) = 0.037% Peak 1178 (2.26, 7.92, 121.27 ppm): 16 chemical-shift based assignments, quality = 0.786, support = 6.11, residual support = 170.9: HG12 ILE 119 - HN ILE 119 6.250% * 80.3872% (0.78 7.52 212.54) = 80.387% kept QG GLN 90 - HN ILE 119 6.250% * 6.4341% (0.98 0.48 0.02) = 6.434% kept HB3 PHE 72 - HN ILE 119 6.250% * 4.1734% (0.92 0.33 1.75) = 4.173% kept QG GLU- 14 - HN ILE 119 6.250% * 3.9378% (0.84 0.35 0.02) = 3.938% kept HB2 ASP- 44 - HN ILE 119 6.250% * 2.7943% (0.78 0.26 0.02) = 2.794% kept HG12 ILE 119 - HN CYS 21 6.250% * 0.9771% (0.17 0.43 0.02) = 0.977% QG GLN 90 - HN CYS 21 6.250% * 0.8254% (0.21 0.29 0.02) = 0.825% QG GLU- 15 - HN ILE 119 6.250% * 0.1657% (0.61 0.02 0.02) = 0.166% HB2 GLU- 29 - HN ILE 119 6.250% * 0.0644% (0.24 0.02 0.02) = 0.064% HB3 PHE 72 - HN CYS 21 6.250% * 0.0534% (0.20 0.02 0.02) = 0.053% QG GLU- 14 - HN CYS 21 6.250% * 0.0483% (0.18 0.02 0.02) = 0.048% HB2 ASP- 44 - HN CYS 21 6.250% * 0.0453% (0.17 0.02 0.02) = 0.045% HG3 MET 92 - HN ILE 119 6.250% * 0.0370% (0.14 0.02 0.02) = 0.037% QG GLU- 15 - HN CYS 21 6.250% * 0.0351% (0.13 0.02 0.02) = 0.035% HB2 GLU- 29 - HN CYS 21 6.250% * 0.0136% (0.05 0.02 0.02) = 0.014% HG3 MET 92 - HN CYS 21 6.250% * 0.0078% (0.03 0.02 0.02) = 0.008% Peak 1179 (2.04, 7.92, 121.27 ppm): 14 chemical-shift based assignments, quality = 0.828, support = 7.48, residual support = 207.2: O HB ILE 119 - HN ILE 119 7.143% * 97.4926% (0.84 10.0 7.67 212.54) = 97.493% kept HB2 GLN 30 - HN ILE 119 7.143% * 1.5872% (0.84 1.0 0.33 0.75) = 1.587% kept HB ILE 119 - HN CYS 21 7.143% * 0.4395% (0.18 1.0 0.43 0.02) = 0.440% HG3 GLN 30 - HN ILE 119 7.143% * 0.1144% (0.98 1.0 0.02 0.75) = 0.114% HB3 GLU- 100 - HN ILE 119 7.143% * 0.1077% (0.92 1.0 0.02 0.02) = 0.108% HB VAL 108 - HN ILE 119 7.143% * 0.0568% (0.49 1.0 0.02 0.02) = 0.057% HB3 PRO 68 - HN ILE 119 7.143% * 0.0568% (0.49 1.0 0.02 0.02) = 0.057% HB2 ARG+ 54 - HN ILE 119 7.143% * 0.0438% (0.38 1.0 0.02 0.02) = 0.044% HG3 GLN 30 - HN CYS 21 7.143% * 0.0242% (0.21 1.0 0.02 0.02) = 0.024% HB3 GLU- 100 - HN CYS 21 7.143% * 0.0228% (0.20 1.0 0.02 0.02) = 0.023% HB2 GLN 30 - HN CYS 21 7.143% * 0.0207% (0.18 1.0 0.02 0.02) = 0.021% HB3 PRO 68 - HN CYS 21 7.143% * 0.0120% (0.10 1.0 0.02 0.02) = 0.012% HB VAL 108 - HN CYS 21 7.143% * 0.0120% (0.10 1.0 0.02 0.02) = 0.012% HB2 ARG+ 54 - HN CYS 21 7.143% * 0.0093% (0.08 1.0 0.02 0.02) = 0.009% Peak 1180 (1.12, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.883, support = 6.12, residual support = 186.1: HG13 ILE 119 - HN ILE 119 10.000% * 87.3533% (0.98 6.78 212.54) = 87.353% kept HD3 LYS+ 112 - HN ILE 119 10.000% * 4.9736% (0.32 1.17 0.02) = 4.974% kept QG1 VAL 24 - HN ILE 119 10.000% * 3.0088% (0.20 1.16 0.02) = 3.009% kept QB ALA 20 - HN CYS 21 10.000% * 2.9445% (0.07 3.26 13.99) = 2.944% kept HB3 LEU 31 - HN CYS 21 10.000% * 1.2894% (0.21 0.47 0.02) = 1.289% kept HB3 LEU 31 - HN ILE 119 10.000% * 0.2615% (1.00 0.02 0.02) = 0.261% QB ALA 20 - HN ILE 119 10.000% * 0.0853% (0.32 0.02 0.02) = 0.085% HG13 ILE 119 - HN CYS 21 10.000% * 0.0546% (0.21 0.02 0.02) = 0.055% HD3 LYS+ 112 - HN CYS 21 10.000% * 0.0181% (0.07 0.02 0.02) = 0.018% QG1 VAL 24 - HN CYS 21 10.000% * 0.0110% (0.04 0.02 0.02) = 0.011% Peak 1181 (0.99, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.447, support = 0.468, residual support = 0.22: QG2 ILE 103 - HN ILE 119 10.000% * 33.8296% (0.67 0.48 0.02) = 33.830% kept HB VAL 75 - HN ILE 119 10.000% * 15.8458% (0.55 0.27 0.02) = 15.846% kept QD2 LEU 40 - HN CYS 21 10.000% * 13.6723% (0.19 0.69 0.02) = 13.672% kept HB VAL 75 - HN CYS 21 10.000% * 11.6307% (0.12 0.95 1.56) = 11.631% kept HG3 LYS+ 74 - HN ILE 119 10.000% * 9.2903% (0.49 0.18 0.02) = 9.290% kept QD1 LEU 67 - HN CYS 21 10.000% * 7.0274% (0.18 0.37 0.02) = 7.027% kept QG2 ILE 103 - HN CYS 21 10.000% * 4.8344% (0.14 0.32 0.45) = 4.834% kept QD2 LEU 40 - HN ILE 119 10.000% * 1.8754% (0.88 0.02 0.02) = 1.875% kept QD1 LEU 67 - HN ILE 119 10.000% * 1.7750% (0.84 0.02 0.02) = 1.775% kept HG3 LYS+ 74 - HN CYS 21 10.000% * 0.2191% (0.10 0.02 1.25) = 0.219% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1182 (0.21, 7.92, 121.27 ppm): 2 chemical-shift based assignments, quality = 0.276, support = 5.45, residual support = 55.5: QG2 THR 118 - HN ILE 119 50.000% * 99.2479% (0.28 5.49 55.89) = 99.248% kept QG2 THR 118 - HN CYS 21 50.000% * 0.7521% (0.06 0.20 0.02) = 0.752% Peak 1183 (1.46, 7.92, 121.27 ppm): 16 chemical-shift based assignments, quality = 0.682, support = 2.13, residual support = 14.0: QB ALA 120 - HN ILE 119 6.250% * 45.1995% (0.61 3.74 30.57) = 45.199% kept HB3 LEU 115 - HN ILE 119 6.250% * 20.7705% (0.88 1.18 0.70) = 20.770% kept HG LEU 115 - HN ILE 119 6.250% * 11.6332% (0.61 0.96 0.70) = 11.633% kept HG LEU 67 - HN ILE 119 6.250% * 7.5686% (0.98 0.39 0.02) = 7.569% kept HG LEU 40 - HN ILE 119 6.250% * 7.4798% (0.88 0.43 0.02) = 7.480% kept HB3 LEU 40 - HN ILE 119 6.250% * 2.2994% (0.28 0.41 0.02) = 2.299% kept HG LEU 67 - HN CYS 21 6.250% * 1.5471% (0.21 0.37 0.02) = 1.547% kept HG LEU 40 - HN CYS 21 6.250% * 1.3639% (0.19 0.37 0.02) = 1.364% kept HG LEU 73 - HN ILE 119 6.250% * 1.0773% (0.20 0.27 0.02) = 1.077% kept HG LEU 73 - HN CYS 21 6.250% * 0.3894% (0.04 0.47 0.64) = 0.389% QB ALA 120 - HN CYS 21 6.250% * 0.2531% (0.13 0.10 0.02) = 0.253% HG2 LYS+ 102 - HN CYS 21 6.250% * 0.1396% (0.07 0.10 0.02) = 0.140% HG2 LYS+ 102 - HN ILE 119 6.250% * 0.1294% (0.32 0.02 0.02) = 0.129% HB3 LEU 115 - HN CYS 21 6.250% * 0.0745% (0.19 0.02 0.02) = 0.075% HG LEU 115 - HN CYS 21 6.250% * 0.0512% (0.13 0.02 0.02) = 0.051% HB3 LEU 40 - HN CYS 21 6.250% * 0.0235% (0.06 0.02 0.02) = 0.023% Peak 1184 (0.13, 7.93, 121.01 ppm): 4 chemical-shift based assignments, quality = 0.941, support = 0.995, residual support = 1.19: QG2 VAL 75 - HN CYS 21 25.000% * 75.6831% (1.00 1.20 1.56) = 75.683% kept QG2 VAL 42 - HN CYS 21 25.000% * 20.4387% (0.88 0.37 0.02) = 20.439% kept QG2 VAL 75 - HN ILE 119 25.000% * 3.6416% (0.21 0.27 0.02) = 3.642% kept QG2 VAL 42 - HN ILE 119 25.000% * 0.2365% (0.19 0.02 0.02) = 0.237% Peak 1185 (1.15, 8.71, 131.46 ppm): 4 chemical-shift based assignments, quality = 0.665, support = 3.53, residual support = 10.9: O QB ALA 20 - HN ALA 20 25.000% * 99.7097% (0.67 10.0 3.54 10.93) = 99.710% kept HG2 LYS+ 121 - HN ALA 20 25.000% * 0.1487% (1.00 1.0 0.02 0.02) = 0.149% QG2 VAL 107 - HN ALA 20 25.000% * 0.1170% (0.78 1.0 0.02 0.02) = 0.117% HG13 ILE 103 - HN ALA 20 25.000% * 0.0246% (0.16 1.0 0.02 0.24) = 0.025% Peak 1186 (0.69, 8.71, 131.46 ppm): 2 chemical-shift based assignments, quality = 0.978, support = 1.78, residual support = 17.0: QG2 ILE 19 - HN ALA 20 50.000% * 99.8118% (0.98 1.78 17.07) = 99.812% kept QD1 LEU 98 - HN ALA 20 50.000% * 0.1882% (0.16 0.02 0.02) = 0.188% Peak 1187 (2.00, 8.93, 131.32 ppm): 7 chemical-shift based assignments, quality = 0.906, support = 4.36, residual support = 97.3: O HB ILE 19 - HN ILE 19 14.286% * 96.4989% (0.92 10.0 4.48 100.87) = 96.499% kept HB2 GLN 17 - HN ILE 19 14.286% * 3.1393% (0.49 1.0 1.23 0.02) = 3.139% kept QB GLU- 114 - HN ILE 19 14.286% * 0.1025% (0.98 1.0 0.02 0.02) = 0.102% HG2 PRO 68 - HN ILE 19 14.286% * 0.0873% (0.84 1.0 0.02 0.02) = 0.087% HB3 GLU- 25 - HN ILE 19 14.286% * 0.0818% (0.78 1.0 0.02 0.02) = 0.082% QB GLU- 15 - HN ILE 19 14.286% * 0.0509% (0.49 1.0 0.02 0.02) = 0.051% HB2 LYS+ 111 - HN ILE 19 14.286% * 0.0392% (0.38 1.0 0.02 0.02) = 0.039% Peak 1188 (1.43, 8.93, 131.32 ppm): 8 chemical-shift based assignments, quality = 0.6, support = 3.17, residual support = 58.7: HG12 ILE 19 - HN ILE 19 12.500% * 56.9924% (0.49 4.81 100.87) = 56.992% kept HG LEU 73 - HN ILE 19 12.500% * 22.3869% (0.61 1.52 5.10) = 22.387% kept HB3 LEU 67 - HN ILE 19 12.500% * 14.1153% (1.00 0.58 0.40) = 14.115% kept QG LYS+ 66 - HN ILE 19 12.500% * 5.2264% (0.88 0.24 0.02) = 5.226% kept QB ALA 61 - HN ILE 19 12.500% * 0.4496% (0.92 0.02 0.02) = 0.450% HG LEU 80 - HN ILE 19 12.500% * 0.3248% (0.67 0.02 0.02) = 0.325% QB ALA 110 - HN ILE 19 12.500% * 0.2954% (0.61 0.02 0.02) = 0.295% HG2 LYS+ 102 - HN ILE 19 12.500% * 0.2092% (0.43 0.02 3.68) = 0.209% Peak 1189 (1.24, 8.93, 131.32 ppm): 7 chemical-shift based assignments, quality = 0.91, support = 3.34, residual support = 67.5: HG13 ILE 19 - HN ILE 19 14.286% * 66.0768% (0.92 4.50 100.87) = 66.077% kept HG LEU 71 - HN ILE 19 14.286% * 21.8722% (0.96 1.44 2.91) = 21.872% kept HG2 LYS+ 74 - HN ILE 19 14.286% * 7.5257% (0.98 0.48 2.70) = 7.526% kept QB ALA 91 - HN ILE 19 14.286% * 4.0285% (0.43 0.59 0.02) = 4.029% kept HG3 LYS+ 99 - HN ILE 19 14.286% * 0.3169% (1.00 0.02 0.02) = 0.317% QG2 THR 39 - HN ILE 19 14.286% * 0.1368% (0.43 0.02 0.02) = 0.137% HG3 LYS+ 38 - HN ILE 19 14.286% * 0.0431% (0.14 0.02 0.02) = 0.043% Peak 1190 (0.84, 8.93, 131.32 ppm): 4 chemical-shift based assignments, quality = 0.348, support = 1.01, residual support = 2.42: QD1 LEU 71 - HN ILE 19 25.000% * 59.2774% (0.43 0.86 2.91) = 59.277% kept QG1 VAL 70 - HN ILE 19 25.000% * 36.3745% (0.16 1.38 1.91) = 36.374% kept HB3 LEU 104 - HN ILE 19 25.000% * 2.9674% (0.92 0.02 0.02) = 2.967% kept QD1 LEU 123 - HN ILE 19 25.000% * 1.3808% (0.43 0.02 0.02) = 1.381% kept Peak 1191 (0.75, 8.93, 131.32 ppm): 5 chemical-shift based assignments, quality = 0.755, support = 3.91, residual support = 31.5: QG2 VAL 18 - HN ILE 19 20.000% * 60.4214% (0.92 4.26 15.72) = 60.421% kept QD1 ILE 19 - HN ILE 19 20.000% * 21.4676% (0.28 5.03 100.87) = 21.468% kept QG2 THR 46 - HN ILE 19 20.000% * 17.5699% (0.78 1.46 2.20) = 17.570% kept QG1 VAL 43 - HN ILE 19 20.000% * 0.3009% (0.98 0.02 0.02) = 0.301% QG1 VAL 41 - HN ILE 19 20.000% * 0.2403% (0.78 0.02 0.02) = 0.240% Peak 1192 (1.43, 8.71, 131.46 ppm): 8 chemical-shift based assignments, quality = 0.657, support = 2.81, residual support = 9.77: HG12 ILE 19 - HN ALA 20 12.500% * 57.1272% (0.49 4.52 17.07) = 57.127% kept HB3 LEU 67 - HN ALA 20 12.500% * 18.4044% (1.00 0.71 0.10) = 18.404% kept QG LYS+ 66 - HN ALA 20 12.500% * 11.9979% (0.88 0.52 0.02) = 11.998% kept QB ALA 61 - HN ALA 20 12.500% * 6.0220% (0.92 0.25 0.02) = 6.022% kept HG LEU 73 - HN ALA 20 12.500% * 5.5645% (0.61 0.35 0.02) = 5.564% kept HG LEU 80 - HN ALA 20 12.500% * 0.3462% (0.67 0.02 0.02) = 0.346% QB ALA 110 - HN ALA 20 12.500% * 0.3148% (0.61 0.02 0.02) = 0.315% HG2 LYS+ 102 - HN ALA 20 12.500% * 0.2230% (0.43 0.02 1.02) = 0.223% Peak 1193 (1.43, 7.93, 121.01 ppm): 16 chemical-shift based assignments, quality = 0.646, support = 0.794, residual support = 0.199: HG12 ILE 19 - HN CYS 21 6.250% * 36.2678% (0.49 1.50 0.28) = 36.268% kept HB3 LEU 67 - HN CYS 21 6.250% * 24.8922% (1.00 0.50 0.02) = 24.892% kept HG LEU 73 - HN CYS 21 6.250% * 14.0792% (0.61 0.47 0.64) = 14.079% kept QG LYS+ 66 - HN CYS 21 6.250% * 12.7630% (0.88 0.29 0.02) = 12.763% kept HB3 LEU 67 - HN ILE 119 6.250% * 4.0865% (0.21 0.39 0.02) = 4.086% kept HG2 LYS+ 102 - HN CYS 21 6.250% * 2.1788% (0.43 0.10 0.02) = 2.179% kept HG LEU 73 - HN ILE 119 6.250% * 1.7474% (0.13 0.27 0.02) = 1.747% kept QG LYS+ 66 - HN ILE 119 6.250% * 1.1404% (0.19 0.12 0.02) = 1.140% kept QB ALA 61 - HN CYS 21 6.250% * 0.9195% (0.92 0.02 0.02) = 0.919% HG LEU 80 - HN CYS 21 6.250% * 0.6644% (0.67 0.02 0.02) = 0.664% QB ALA 110 - HN CYS 21 6.250% * 0.6041% (0.61 0.02 0.02) = 0.604% QB ALA 61 - HN ILE 119 6.250% * 0.1948% (0.20 0.02 0.02) = 0.195% HG LEU 80 - HN ILE 119 6.250% * 0.1407% (0.14 0.02 0.02) = 0.141% QB ALA 110 - HN ILE 119 6.250% * 0.1280% (0.13 0.02 0.02) = 0.128% HG12 ILE 19 - HN ILE 119 6.250% * 0.1027% (0.10 0.02 0.02) = 0.103% HG2 LYS+ 102 - HN ILE 119 6.250% * 0.0906% (0.09 0.02 0.02) = 0.091% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1194 (2.19, 7.45, 112.50 ppm): 4 chemical-shift based assignments, quality = 0.302, support = 2.72, residual support = 68.6: O QG GLN 17 - HE21 GLN 17 25.000% * 99.6710% (0.30 10.0 2.73 68.85) = 99.671% kept HB2 GLU- 25 - HE21 GLN 17 25.000% * 0.1407% (0.43 1.0 0.02 0.02) = 0.141% HB2 LYS+ 38 - HE21 GLN 17 25.000% * 0.1129% (0.34 1.0 0.02 0.02) = 0.113% HB VAL 70 - HE21 GLN 17 25.000% * 0.0753% (0.23 1.0 0.02 1.63) = 0.075% Peak 1195 (8.26, 7.69, 115.83 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 6.08, residual support = 41.1: T HN VAL 18 - HN GLN 17 50.000% * 99.9118% (0.49 10.00 6.09 41.16) = 99.912% kept HN SER 13 - HN GLN 17 50.000% * 0.0882% (0.43 1.00 0.02 0.02) = 0.088% Peak 1196 (7.68, 8.27, 122.56 ppm): 3 chemical-shift based assignments, quality = 0.778, support = 5.8, residual support = 38.9: T HN GLN 17 - HN VAL 18 33.333% * 94.4295% (0.77 10.00 6.09 41.16) = 94.429% kept HD21 ASN 69 - HN VAL 18 33.333% * 5.4597% (0.92 1.00 0.97 0.75) = 5.460% kept HN TRP 87 - HN VAL 18 33.333% * 0.1108% (0.90 1.00 0.02 0.02) = 0.111% Peak 1197 (8.46, 8.93, 131.32 ppm): 2 chemical-shift based assignments, quality = 0.751, support = 1.85, residual support = 1.58: HN THR 46 - HN ILE 19 50.000% * 67.2044% (0.67 2.34 2.20) = 67.204% kept HN MET 92 - HN ILE 19 50.000% * 32.7956% (0.92 0.83 0.32) = 32.796% kept Peak 1198 (8.11, 9.21, 123.27 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.69, residual support = 2.69: HN THR 26 - HN VAL 24 100.000% *100.0000% (0.73 2.69 2.69) = 100.000% kept Peak 1199 (7.33, 9.21, 123.27 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 2.99, residual support = 13.5: HN THR 23 - HN VAL 24 20.000% * 94.1801% (0.96 3.16 13.55) = 94.180% kept HE3 TRP 27 - HN VAL 24 20.000% * 4.5251% (0.55 0.27 15.72) = 4.525% kept QE PHE 95 - HN VAL 24 20.000% * 0.6112% (0.98 0.02 0.02) = 0.611% QD PHE 55 - HN VAL 24 20.000% * 0.4159% (0.67 0.02 0.02) = 0.416% HN LEU 67 - HN VAL 24 20.000% * 0.2678% (0.43 0.02 0.02) = 0.268% Peak 1200 (10.58, 10.20, 129.00 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 0.862, residual support = 3.96: HE1 TRP 87 - HE1 TRP 27 100.000% *100.0000% (0.24 0.86 3.96) = 100.000% kept Peak 1202 (8.08, 8.36, 120.50 ppm): 4 chemical-shift based assignments, quality = 0.939, support = 3.79, residual support = 11.8: T HN ALA 34 - HN ASN 35 25.000% * 86.2880% (0.96 10.00 4.34 13.65) = 86.288% kept T HN LEU 80 - HN ASN 35 25.000% * 13.6468% (0.84 10.00 0.36 0.02) = 13.647% kept HN CYS 53 - HN ASN 35 25.000% * 0.0439% (0.49 1.00 0.02 0.02) = 0.044% HN GLN 32 - HN ASN 35 25.000% * 0.0213% (0.24 1.00 0.02 0.02) = 0.021% Peak 1203 (7.91, 7.76, 119.36 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 3.35, residual support = 5.91: HN SER 37 - HN GLU- 36 25.000% * 71.2354% (0.96 4.27 7.94) = 71.235% kept HN ILE 89 - HN GLU- 36 25.000% * 21.2664% (0.98 1.24 1.16) = 21.266% kept HN ILE 119 - HN GLU- 36 25.000% * 7.4510% (0.73 0.59 0.02) = 7.451% kept HN CYS 21 - HN GLU- 36 25.000% * 0.0472% (0.14 0.02 0.02) = 0.047% Peak 1204 (7.88, 7.75, 114.55 ppm): 2 chemical-shift based assignments, quality = 0.985, support = 5.31, residual support = 27.9: T HN LYS+ 38 - HN THR 39 50.000% * 98.3130% (1.00 10.00 5.39 28.42) = 98.313% kept HN ARG+ 54 - HN THR 39 50.000% * 1.6870% (0.43 1.00 0.79 0.02) = 1.687% kept Peak 1205 (9.33, 9.16, 125.94 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 1.65, residual support = 6.51: HN MET 96 - HN VAL 43 100.000% *100.0000% (0.55 1.65 6.51) = 100.000% kept Peak 1206 (8.97, 8.78, 123.55 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 0.456, residual support = 0.456: HN LYS+ 106 - HN ASP- 44 100.000% *100.0000% (1.00 0.46 0.46) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1207 (8.97, 9.16, 125.94 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 3.0, residual support = 3.38: HN LYS+ 106 - HN VAL 43 100.000% *100.0000% (1.00 3.00 3.38) = 100.000% kept Peak 1208 (7.58, 8.78, 123.55 ppm): 5 chemical-shift based assignments, quality = 0.91, support = 0.289, residual support = 0.207: HN LYS+ 111 - HN ASP- 44 20.000% * 75.1183% (1.00 0.35 0.27) = 75.118% kept HE21 GLN 32 - HN ASP- 44 20.000% * 16.6935% (0.61 0.13 0.02) = 16.694% kept HN ALA 84 - HN ASP- 44 20.000% * 4.2514% (1.00 0.02 0.02) = 4.251% kept HN ILE 56 - HN ASP- 44 20.000% * 2.3332% (0.55 0.02 0.02) = 2.333% kept HN LEU 63 - HN ASP- 44 20.000% * 1.6036% (0.38 0.02 0.02) = 1.604% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1209 (7.26, 8.78, 123.55 ppm): 3 chemical-shift based assignments, quality = 0.787, support = 0.577, residual support = 0.65: QE PHE 59 - HN ASP- 44 33.333% * 65.7081% (0.84 0.72 0.90) = 65.708% kept HN LYS+ 66 - HN ASP- 44 33.333% * 28.3863% (0.78 0.33 0.02) = 28.386% kept HN PHE 59 - HN ASP- 44 33.333% * 5.9056% (0.28 0.19 0.90) = 5.906% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1210 (7.68, 7.86, 120.86 ppm): 3 chemical-shift based assignments, quality = 0.63, support = 0.468, residual support = 0.202: HN TRP 87 - HN ASP- 62 33.333% * 80.6102% (0.63 0.56 0.25) = 80.610% kept HD21 ASN 69 - HN ASP- 62 33.333% * 17.4473% (0.67 0.11 0.02) = 17.447% kept HN GLN 17 - HN ASP- 62 33.333% * 1.9425% (0.42 0.02 0.02) = 1.943% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1211 (7.57, 7.86, 120.86 ppm): 4 chemical-shift based assignments, quality = 0.664, support = 0.02, residual support = 0.02: HE21 GLN 32 - HN ASP- 62 25.000% * 36.6817% (0.82 0.02 0.02) = 36.682% kept HN ALA 84 - HN ASP- 62 25.000% * 27.8624% (0.63 0.02 0.02) = 27.862% kept HN LYS+ 111 - HN ASP- 62 25.000% * 27.8624% (0.63 0.02 0.02) = 27.862% kept HN ILE 56 - HN ASP- 62 25.000% * 7.5934% (0.17 0.02 0.02) = 7.593% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1212 (8.75, 8.95, 120.59 ppm): 2 chemical-shift based assignments, quality = 0.869, support = 0.079, residual support = 0.02: HN PHE 45 - HN LEU 73 50.000% * 79.7034% (0.84 0.09 0.02) = 79.703% kept HN ALA 110 - HN LEU 73 50.000% * 20.2966% (1.00 0.02 0.02) = 20.297% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1213 (8.51, 9.10, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 2.47, residual support = 5.89: HN ASP- 78 - HN ASP- 76 50.000% * 99.7282% (0.49 2.48 5.91) = 99.728% kept HN LYS+ 112 - HN ASP- 76 50.000% * 0.2718% (0.16 0.02 0.02) = 0.272% Peak 1214 (7.57, 8.49, 124.18 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 3.7, residual support = 19.9: T HN LYS+ 111 - HN LYS+ 112 25.000% * 99.3408% (0.73 10.00 3.72 19.99) = 99.341% kept HN ILE 56 - HN LYS+ 112 25.000% * 0.4291% (0.20 1.00 0.32 3.89) = 0.429% HE21 GLN 32 - HN LYS+ 112 25.000% * 0.1308% (0.96 1.00 0.02 0.02) = 0.131% HN ALA 84 - HN LYS+ 112 25.000% * 0.0993% (0.73 1.00 0.02 0.02) = 0.099% Peak 1215 (7.30, 8.17, 116.99 ppm): 2 chemical-shift based assignments, quality = 0.799, support = 0.187, residual support = 0.112: HN LYS+ 81 - HN GLN 116 50.000% * 83.5658% (0.88 0.20 0.13) = 83.566% kept QD PHE 60 - HN GLN 116 50.000% * 16.4342% (0.38 0.09 0.02) = 16.434% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1216 (3.69, 7.43, 118.69 ppm): 4 chemical-shift based assignments, quality = 0.579, support = 5.65, residual support = 26.2: O HA ILE 119 - HN ALA 120 25.000% * 85.6760% (0.61 10.0 5.88 30.57) = 85.676% kept HA THR 118 - HN ALA 120 25.000% * 13.1511% (0.41 1.0 4.58 0.39) = 13.151% kept HB2 TRP 49 - HN ALA 120 25.000% * 1.1346% (0.51 1.0 0.32 0.02) = 1.135% kept HA ALA 84 - HN ALA 120 25.000% * 0.0383% (0.27 1.0 0.02 0.02) = 0.038% Peak 1217 (4.24, 7.43, 118.69 ppm): 4 chemical-shift based assignments, quality = 0.618, support = 0.897, residual support = 2.73: HA SER 117 - HN ALA 120 25.000% * 69.8388% (0.83 0.58 2.90) = 69.839% kept HA ALA 57 - HN ALA 120 25.000% * 28.2770% (0.11 1.73 2.47) = 28.277% kept HB THR 26 - HN ALA 120 25.000% * 1.3161% (0.46 0.02 0.02) = 1.316% kept HA ASP- 62 - HN ALA 120 25.000% * 0.5682% (0.20 0.02 0.02) = 0.568% Peak 1218 (2.48, 7.41, 111.00 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 3.91, residual support = 87.1: O HG3 GLN 116 - HE21 GLN 116 50.000% * 99.9245% (0.43 10.0 3.92 87.15) = 99.924% kept HB3 TRP 87 - HE21 GLN 116 50.000% * 0.0755% (0.32 1.0 0.02 0.02) = 0.076% Peak 1219 (1.45, 7.41, 111.00 ppm): 7 chemical-shift based assignments, quality = 0.859, support = 3.24, residual support = 55.0: HB3 LEU 115 - HE21 GLN 116 14.286% * 95.8172% (0.88 3.38 57.37) = 95.817% kept HG LEU 67 - HE21 GLN 116 14.286% * 1.8139% (0.73 0.08 0.02) = 1.814% kept HG LEU 40 - HE21 GLN 116 14.286% * 0.5678% (0.88 0.02 0.02) = 0.568% HG2 LYS+ 102 - HE21 GLN 116 14.286% * 0.5678% (0.88 0.02 0.02) = 0.568% HB3 LEU 67 - HE21 GLN 116 14.286% * 0.4899% (0.20 0.08 0.02) = 0.490% HG LEU 73 - HE21 GLN 116 14.286% * 0.4672% (0.73 0.02 1.53) = 0.467% QG LYS+ 66 - HE21 GLN 116 14.286% * 0.2764% (0.43 0.02 0.02) = 0.276% Peak 1220 (2.02, 8.66, 115.11 ppm): 9 chemical-shift based assignments, quality = 0.775, support = 0.783, residual support = 0.676: HB3 GLU- 25 - HN SER 117 11.111% * 40.3551% (0.84 0.97 1.22) = 40.355% kept HB2 GLN 17 - HN SER 117 11.111% * 27.0308% (1.00 0.55 0.58) = 27.031% kept QB GLU- 114 - HN SER 117 11.111% * 18.9966% (0.32 1.18 0.12) = 18.997% kept QB GLU- 15 - HN SER 117 11.111% * 9.0248% (1.00 0.18 0.02) = 9.025% kept HB3 PRO 68 - HN SER 117 11.111% * 2.5724% (0.67 0.08 0.02) = 2.572% kept HB2 LYS+ 111 - HN SER 117 11.111% * 0.9884% (1.00 0.02 0.02) = 0.988% HG2 PRO 68 - HN SER 117 11.111% * 0.6343% (0.16 0.08 0.02) = 0.634% HB ILE 19 - HN SER 117 11.111% * 0.2342% (0.24 0.02 0.02) = 0.234% HG3 GLN 30 - HN SER 117 11.111% * 0.1634% (0.16 0.02 0.02) = 0.163% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1221 (1.46, 8.66, 115.11 ppm): 8 chemical-shift based assignments, quality = 0.732, support = 2.43, residual support = 2.01: HB3 LEU 115 - HN SER 117 12.500% * 42.6940% (0.84 2.64 1.79) = 42.694% kept HG LEU 115 - HN SER 117 12.500% * 34.9748% (0.67 2.71 1.79) = 34.975% kept QB ALA 120 - HN SER 117 12.500% * 21.3407% (0.67 1.65 2.90) = 21.341% kept HG LEU 67 - HN SER 117 12.500% * 0.3701% (0.96 0.02 0.02) = 0.370% HG LEU 40 - HN SER 117 12.500% * 0.3234% (0.84 0.02 0.02) = 0.323% HB3 LEU 40 - HN SER 117 12.500% * 0.1257% (0.32 0.02 0.02) = 0.126% HG2 LYS+ 102 - HN SER 117 12.500% * 0.1076% (0.28 0.02 0.02) = 0.108% HG LEU 73 - HN SER 117 12.500% * 0.0637% (0.16 0.02 0.02) = 0.064% Peak 1222 (2.99, 9.38, 128.74 ppm): 4 chemical-shift based assignments, quality = 0.898, support = 2.21, residual support = 2.49: HB2 PHE 97 - HN LEU 104 25.000% * 54.7775% (1.00 2.76 3.10) = 54.777% kept HB3 TRP 27 - HN LEU 104 25.000% * 24.6471% (0.98 1.26 1.97) = 24.647% kept QE LYS+ 106 - HN LEU 104 25.000% * 20.4646% (0.55 1.88 1.51) = 20.465% kept HB3 PHE 60 - HN LEU 104 25.000% * 0.1108% (0.28 0.02 0.02) = 0.111% Peak 1223 (1.83, 9.38, 128.74 ppm): 7 chemical-shift based assignments, quality = 0.874, support = 5.33, residual support = 29.3: HG12 ILE 103 - HN LEU 104 14.286% * 91.9612% (0.92 5.69 31.83) = 91.961% kept QB LYS+ 102 - HN LEU 104 14.286% * 5.7776% (0.20 1.67 0.14) = 5.778% kept HB VAL 41 - HN LEU 104 14.286% * 1.3999% (1.00 0.08 0.02) = 1.400% kept QB LYS+ 66 - HN LEU 104 14.286% * 0.3088% (0.88 0.02 0.02) = 0.309% HB3 PRO 52 - HN LEU 104 14.286% * 0.1911% (0.55 0.02 0.02) = 0.191% HG LEU 123 - HN LEU 104 14.286% * 0.1911% (0.55 0.02 0.02) = 0.191% HG2 PRO 93 - HN LEU 104 14.286% * 0.1703% (0.49 0.02 0.02) = 0.170% Peak 1224 (1.41, 8.62, 122.05 ppm): 8 chemical-shift based assignments, quality = 0.754, support = 0.561, residual support = 1.3: HG12 ILE 19 - HN ILE 103 12.500% * 39.7605% (0.73 0.81 2.28) = 39.761% kept HB2 LEU 80 - HN ILE 103 12.500% * 32.4734% (0.96 0.51 0.02) = 32.473% kept HD3 LYS+ 121 - HN ILE 103 12.500% * 13.4363% (0.78 0.26 0.02) = 13.436% kept QB LEU 98 - HN ILE 103 12.500% * 8.8549% (0.32 0.41 4.29) = 8.855% kept QB ALA 110 - HN ILE 103 12.500% * 3.3912% (0.61 0.08 0.12) = 3.391% kept HB3 LYS+ 74 - HN ILE 103 12.500% * 0.9760% (0.73 0.02 0.02) = 0.976% HG LEU 80 - HN ILE 103 12.500% * 0.7340% (0.55 0.02 0.02) = 0.734% QB ALA 61 - HN ILE 103 12.500% * 0.3737% (0.28 0.02 0.02) = 0.374% Peak 1225 (0.73, 8.62, 122.05 ppm): 4 chemical-shift based assignments, quality = 0.972, support = 4.26, residual support = 26.5: QD2 LEU 104 - HN ILE 103 25.000% * 82.0334% (1.00 4.98 31.83) = 82.033% kept QD1 ILE 19 - HN ILE 103 25.000% * 15.7631% (0.92 1.04 2.28) = 15.763% kept QG2 VAL 18 - HN ILE 103 25.000% * 2.0621% (0.28 0.45 0.02) = 2.062% kept QG2 THR 46 - HN ILE 103 25.000% * 0.1414% (0.43 0.02 0.02) = 0.141% Peak 1226 (0.58, 9.38, 128.74 ppm): 5 chemical-shift based assignments, quality = 0.584, support = 0.327, residual support = 0.101: QD2 LEU 63 - HN LEU 104 20.000% * 63.6781% (0.49 0.47 0.14) = 63.678% kept QD1 LEU 73 - HN LEU 104 20.000% * 19.8129% (0.92 0.08 0.02) = 19.813% kept QD2 LEU 80 - HN LEU 104 20.000% * 9.0458% (0.38 0.09 0.02) = 9.046% kept QD1 LEU 63 - HN LEU 104 20.000% * 5.0932% (0.92 0.02 0.14) = 5.093% kept QD2 LEU 115 - HN LEU 104 20.000% * 2.3701% (0.43 0.02 0.02) = 2.370% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1227 (0.71, 7.80, 116.22 ppm): 2 chemical-shift based assignments, quality = 0.881, support = 3.87, residual support = 7.32: QD1 LEU 98 - HN ASP- 105 50.000% * 99.8375% (0.88 3.87 7.33) = 99.838% kept QG2 ILE 19 - HN ASP- 105 50.000% * 0.1625% (0.28 0.02 0.02) = 0.162% Peak 1228 (1.38, 8.97, 118.18 ppm): 8 chemical-shift based assignments, quality = 0.892, support = 2.38, residual support = 45.5: HG3 LYS+ 106 - HN LYS+ 106 12.500% * 43.0772% (0.78 3.40 101.04) = 43.077% kept HB3 LEU 73 - HN LYS+ 106 12.500% * 31.4834% (1.00 1.95 5.68) = 31.483% kept HB VAL 42 - HN LYS+ 106 12.500% * 22.0467% (1.00 1.37 0.90) = 22.047% kept HG3 LYS+ 33 - HN LYS+ 106 12.500% * 2.3145% (0.96 0.15 0.34) = 2.314% kept HG3 LYS+ 65 - HN LYS+ 106 12.500% * 0.3224% (1.00 0.02 0.02) = 0.322% HG3 LYS+ 102 - HN LYS+ 106 12.500% * 0.3176% (0.98 0.02 0.02) = 0.318% HB2 LYS+ 112 - HN LYS+ 106 12.500% * 0.2991% (0.92 0.02 0.02) = 0.299% QB ALA 12 - HN LYS+ 106 12.500% * 0.1392% (0.43 0.02 0.02) = 0.139% Peak 1229 (1.08, 8.97, 118.18 ppm): 3 chemical-shift based assignments, quality = 0.252, support = 2.34, residual support = 20.4: QG1 VAL 107 - HN LYS+ 106 33.333% * 95.9426% (0.24 2.43 21.24) = 95.943% kept QG2 VAL 24 - HN LYS+ 106 33.333% * 2.4291% (0.73 0.02 0.02) = 2.429% kept HG LEU 63 - HN LYS+ 106 33.333% * 1.6283% (0.49 0.02 0.02) = 1.628% kept Peak 1230 (0.90, 9.14, 128.89 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 3.7, residual support = 51.8: QG1 VAL 108 - HN VAL 108 33.333% * 95.3104% (0.96 3.84 54.36) = 95.310% kept HB3 LEU 63 - HN VAL 108 33.333% * 4.5869% (0.24 0.75 0.02) = 4.587% kept QD1 LEU 40 - HN VAL 108 33.333% * 0.1027% (0.20 0.02 0.02) = 0.103% Peak 1231 (0.63, 7.72, 122.85 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 2.45, residual support = 4.67: QG2 ILE 89 - HN ALA 91 25.000% * 87.5491% (1.00 2.63 5.28) = 87.549% kept QG1 VAL 83 - HN ALA 91 25.000% * 6.3689% (0.24 0.81 0.02) = 6.369% kept QG2 ILE 89 - HN TRP 27 25.000% * 4.1279% (0.10 1.26 0.16) = 4.128% kept QG1 VAL 83 - HN TRP 27 25.000% * 1.9541% (0.02 2.52 2.40) = 1.954% kept Peak 1232 (1.26, 10.11, 128.03 ppm): 8 chemical-shift based assignments, quality = 0.541, support = 2.68, residual support = 12.5: HG3 LYS+ 99 - HN GLU- 100 12.500% * 49.4556% (0.16 4.96 24.88) = 49.456% kept HG3 LYS+ 38 - HN GLU- 100 12.500% * 33.9035% (0.98 0.57 0.50) = 33.903% kept QG2 THR 39 - HN GLU- 100 12.500% * 13.4138% (0.88 0.25 0.02) = 13.414% kept QB ALA 91 - HN GLU- 100 12.500% * 1.0696% (0.88 0.02 0.02) = 1.070% kept QG2 ILE 56 - HN GLU- 100 12.500% * 0.9487% (0.78 0.02 0.02) = 0.949% QB ALA 34 - HN GLU- 100 12.500% * 0.5900% (0.49 0.02 0.02) = 0.590% HG13 ILE 19 - HN GLU- 100 12.500% * 0.4549% (0.38 0.02 0.02) = 0.455% HG2 LYS+ 74 - HN GLU- 100 12.500% * 0.1640% (0.14 0.02 0.02) = 0.164% Peak 1233 (1.37, 7.29, 121.74 ppm): 10 chemical-shift based assignments, quality = 0.741, support = 1.0, residual support = 1.89: HB3 LEU 73 - HN LYS+ 81 10.000% * 31.1843% (0.84 1.12 0.86) = 31.184% kept HG3 LYS+ 33 - HN LYS+ 81 10.000% * 31.0376% (0.61 1.54 4.99) = 31.038% kept HG3 LYS+ 65 - HN LYS+ 81 10.000% * 15.8150% (0.73 0.65 0.30) = 15.815% kept HG3 LYS+ 106 - HN LYS+ 81 10.000% * 11.1291% (1.00 0.33 0.02) = 11.129% kept HB VAL 42 - HN LYS+ 81 10.000% * 9.0983% (0.73 0.38 0.22) = 9.098% kept HB2 LYS+ 112 - HN LYS+ 81 10.000% * 0.6369% (0.96 0.02 0.02) = 0.637% HG3 LYS+ 102 - HN LYS+ 81 10.000% * 0.5879% (0.88 0.02 0.02) = 0.588% HB3 PRO 93 - HN LYS+ 81 10.000% * 0.2163% (0.32 0.02 0.02) = 0.216% QB ALA 84 - HN LYS+ 81 10.000% * 0.1852% (0.28 0.02 0.26) = 0.185% HG LEU 98 - HN LYS+ 81 10.000% * 0.1096% (0.16 0.02 0.02) = 0.110% Peak 1234 (0.08, 7.91, 118.70 ppm): 3 chemical-shift based assignments, quality = 0.82, support = 4.9, residual support = 165.4: QD1 ILE 89 - HN ILE 89 33.333% * 91.9157% (0.84 5.29 179.91) = 91.916% kept QD2 LEU 31 - HN ILE 89 33.333% * 5.0260% (0.43 0.56 0.02) = 5.026% kept QG2 VAL 83 - HN ILE 89 33.333% * 3.0583% (1.00 0.15 0.74) = 3.058% kept Peak 1235 (1.34, 7.91, 118.70 ppm): 10 chemical-shift based assignments, quality = 0.683, support = 0.657, residual support = 2.68: HG2 LYS+ 111 - HN ILE 89 10.000% * 24.2424% (0.96 0.39 0.52) = 24.242% kept QB ALA 84 - HN ILE 89 10.000% * 21.4965% (0.16 2.00 11.71) = 21.497% kept HB3 LEU 80 - HN ILE 89 10.000% * 15.2782% (0.96 0.24 0.02) = 15.278% kept HB3 ASP- 44 - HN ILE 89 10.000% * 13.5844% (0.67 0.31 0.10) = 13.584% kept HB2 LEU 63 - HN ILE 89 10.000% * 12.8357% (0.84 0.23 0.02) = 12.836% kept HG2 LYS+ 99 - HN ILE 89 10.000% * 9.7714% (0.61 0.25 0.12) = 9.771% kept HB2 LEU 31 - HN ILE 89 10.000% * 1.3027% (1.00 0.02 0.02) = 1.303% kept QB ALA 124 - HN ILE 89 10.000% * 0.5624% (0.43 0.02 0.02) = 0.562% HG2 LYS+ 38 - HN ILE 89 10.000% * 0.5624% (0.43 0.02 0.02) = 0.562% HG LEU 98 - HN ILE 89 10.000% * 0.3640% (0.28 0.02 0.02) = 0.364% Peak 1236 (1.25, 8.62, 127.39 ppm): 7 chemical-shift based assignments, quality = 0.639, support = 2.97, residual support = 21.2: QB ALA 91 - HN GLN 90 14.286% * 95.8774% (0.67 3.10 22.13) = 95.877% kept HG13 ILE 19 - HN GLN 90 14.286% * 0.9274% (1.00 0.02 0.02) = 0.927% HG3 LYS+ 99 - HN GLN 90 14.286% * 0.8184% (0.88 0.02 0.02) = 0.818% HG2 LYS+ 74 - HN GLN 90 14.286% * 0.7746% (0.84 0.02 0.02) = 0.775% HG LEU 71 - HN GLN 90 14.286% * 0.7258% (0.78 0.02 0.02) = 0.726% QG2 THR 39 - HN GLN 90 14.286% * 0.6185% (0.67 0.02 0.02) = 0.619% HG3 LYS+ 38 - HN GLN 90 14.286% * 0.2578% (0.28 0.02 0.02) = 0.258% Peak 1237 (2.24, 7.39, 112.01 ppm): 6 chemical-shift based assignments, quality = 0.614, support = 0.0756, residual support = 0.0659: HG12 ILE 119 - HE21 GLN 90 16.667% * 48.6921% (0.43 0.13 0.02) = 48.692% kept HG3 MET 92 - HE21 GLN 90 16.667% * 16.8861% (1.00 0.02 0.29) = 16.886% kept HB2 GLU- 29 - HE21 GLN 90 16.667% * 16.1431% (0.96 0.02 0.02) = 16.143% kept HB2 ASP- 105 - HE21 GLN 90 16.667% * 10.2419% (0.61 0.02 0.02) = 10.242% kept HB3 ASP- 76 - HE21 GLN 90 16.667% * 4.6950% (0.28 0.02 0.02) = 4.695% kept HG2 GLU- 100 - HE21 GLN 90 16.667% * 3.3417% (0.20 0.02 0.02) = 3.342% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1238 (2.15, 8.62, 127.39 ppm): 5 chemical-shift based assignments, quality = 0.484, support = 5.36, residual support = 70.9: O HB2 GLN 90 - HN GLN 90 20.000% * 99.3936% (0.49 10.0 5.40 71.31) = 99.394% kept QB GLU- 36 - HN GLN 90 20.000% * 0.2032% (1.00 1.0 0.02 0.02) = 0.203% HB3 GLU- 79 - HN GLN 90 20.000% * 0.1952% (0.96 1.0 0.02 0.02) = 0.195% HB3 GLU- 29 - HN GLN 90 20.000% * 0.1598% (0.78 1.0 0.02 0.02) = 0.160% HG3 GLU- 29 - HN GLN 90 20.000% * 0.0481% (0.24 1.0 0.02 0.02) = 0.048% Peak 1239 (0.77, 9.36, 127.59 ppm): 5 chemical-shift based assignments, quality = 0.748, support = 3.63, residual support = 20.0: QD2 LEU 73 - HN PHE 72 20.000% * 69.9700% (0.73 4.68 28.12) = 69.970% kept HG LEU 31 - HN PHE 72 20.000% * 23.9152% (0.92 1.26 1.34) = 23.915% kept QD1 ILE 56 - HN PHE 72 20.000% * 5.7757% (0.32 0.86 0.15) = 5.776% kept QG1 VAL 41 - HN PHE 72 20.000% * 0.2247% (0.55 0.02 0.02) = 0.225% QG1 VAL 43 - HN PHE 72 20.000% * 0.1144% (0.28 0.02 0.02) = 0.114% Peak 1240 (0.40, 9.36, 127.59 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.82, residual support = 39.3: QB ALA 64 - HN PHE 72 100.000% *100.0000% (1.00 2.82 39.30) = 100.000% kept Peak 1241 (2.00, 8.48, 121.30 ppm): 7 chemical-shift based assignments, quality = 0.682, support = 1.97, residual support = 2.61: HB ILE 19 - HN LYS+ 74 14.286% * 96.7213% (0.71 2.04 2.70) = 96.721% kept QB GLU- 114 - HN LYS+ 74 14.286% * 0.9476% (0.71 0.02 0.02) = 0.948% HG2 PRO 68 - HN LYS+ 74 14.286% * 0.9105% (0.68 0.02 0.02) = 0.910% HB3 GLU- 25 - HN LYS+ 74 14.286% * 0.5777% (0.43 0.02 0.02) = 0.578% QB GLU- 15 - HN LYS+ 74 14.286% * 0.3092% (0.23 0.02 0.02) = 0.309% HB2 GLN 17 - HN LYS+ 74 14.286% * 0.3092% (0.23 0.02 0.02) = 0.309% HB2 LYS+ 111 - HN LYS+ 74 14.286% * 0.2245% (0.17 0.02 0.02) = 0.225% Peak 1242 (0.60, 8.48, 121.30 ppm): 6 chemical-shift based assignments, quality = 0.216, support = 2.76, residual support = 10.9: QD1 LEU 73 - HN LYS+ 74 16.667% * 72.2395% (0.17 3.61 15.04) = 72.240% kept QD1 LEU 63 - HN LYS+ 74 16.667% * 16.7074% (0.17 0.84 0.11) = 16.707% kept QD1 LEU 104 - HN LYS+ 74 16.667% * 7.5669% (0.71 0.09 0.02) = 7.567% kept QD2 LEU 80 - HN LYS+ 74 16.667% * 1.3279% (0.55 0.02 0.02) = 1.328% kept QD2 LEU 115 - HN LYS+ 74 16.667% * 1.2319% (0.51 0.02 0.02) = 1.232% kept QG1 VAL 83 - HN LYS+ 74 16.667% * 0.9264% (0.39 0.02 0.02) = 0.926% Peak 1243 (1.33, 8.52, 119.25 ppm): 8 chemical-shift based assignments, quality = 0.787, support = 1.26, residual support = 1.37: HG2 LYS+ 111 - HN ASP- 78 12.500% * 54.7334% (0.78 1.95 2.00) = 54.733% kept HG2 LYS+ 38 - HN ASP- 78 12.500% * 15.1442% (0.96 0.44 0.10) = 15.144% kept HG2 LYS+ 99 - HN ASP- 78 12.500% * 14.7518% (1.00 0.41 0.02) = 14.752% kept HB3 LEU 80 - HN ASP- 78 12.500% * 8.2065% (0.43 0.53 3.09) = 8.207% kept QB ALA 88 - HN ASP- 78 12.500% * 6.3685% (0.49 0.36 0.02) = 6.369% kept HB2 LEU 31 - HN ASP- 78 12.500% * 0.4782% (0.67 0.02 0.02) = 0.478% HB2 LEU 63 - HN ASP- 78 12.500% * 0.1994% (0.28 0.02 0.02) = 0.199% HB3 ASP- 44 - HN ASP- 78 12.500% * 0.1179% (0.16 0.02 0.02) = 0.118% Peak 1244 (0.36, 8.52, 119.25 ppm): 3 chemical-shift based assignments, quality = 0.873, support = 0.883, residual support = 0.835: HG2 LYS+ 112 - HN ASP- 78 33.333% * 41.9252% (0.84 1.11 1.76) = 41.925% kept QG1 VAL 42 - HN ASP- 78 33.333% * 31.6128% (0.96 0.73 0.17) = 31.613% kept QB ALA 47 - HN ASP- 78 33.333% * 26.4621% (0.84 0.70 0.16) = 26.462% kept Peak 1245 (4.26, 8.52, 119.25 ppm): 7 chemical-shift based assignments, quality = 0.707, support = 3.54, residual support = 16.2: HA GLU- 79 - HN ASP- 78 14.286% * 78.0624% (0.84 3.57 16.56) = 78.062% kept HB THR 77 - HN ASP- 78 14.286% * 17.9816% (0.16 4.17 18.18) = 17.982% kept HA THR 39 - HN ASP- 78 14.286% * 2.7932% (0.92 0.12 0.02) = 2.793% kept HA1 GLY 51 - HN ASP- 78 14.286% * 0.5211% (1.00 0.02 0.02) = 0.521% HA ALA 57 - HN ASP- 78 14.286% * 0.4099% (0.78 0.02 0.02) = 0.410% HA ILE 103 - HN ASP- 78 14.286% * 0.1456% (0.28 0.02 0.02) = 0.146% HA SER 85 - HN ASP- 78 14.286% * 0.0861% (0.16 0.02 0.02) = 0.086% Peak 1246 (4.83, 8.52, 119.25 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.12, residual support = 35.9: O HA ASP- 78 - HN ASP- 78 33.333% * 99.9077% (1.00 10.0 4.13 35.95) = 99.908% kept HA THR 23 - HN ASP- 78 33.333% * 0.0725% (0.73 1.0 0.02 0.02) = 0.073% HA LEU 80 - HN ASP- 78 33.333% * 0.0198% (0.20 1.0 0.02 3.09) = 0.020% Peak 1248 (3.69, 7.92, 121.27 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 6.41, residual support = 137.1: O HA ILE 119 - HN ILE 119 10.000% * 51.9143% (1.00 10.0 7.49 212.54) = 51.914% kept O HA THR 118 - HN ILE 119 10.000% * 47.9230% (0.92 10.0 5.26 55.89) = 47.923% kept HB2 TRP 49 - HN ILE 119 10.000% * 0.0509% (0.98 1.0 0.02 0.02) = 0.051% HA ALA 84 - HN ILE 119 10.000% * 0.0406% (0.78 1.0 0.02 0.02) = 0.041% HA2 GLY 109 - HN ILE 119 10.000% * 0.0253% (0.49 1.0 0.02 0.02) = 0.025% HA ILE 119 - HN CYS 21 10.000% * 0.0110% (0.21 1.0 0.02 0.02) = 0.011% HB2 TRP 49 - HN CYS 21 10.000% * 0.0108% (0.21 1.0 0.02 0.02) = 0.011% HA THR 118 - HN CYS 21 10.000% * 0.0102% (0.20 1.0 0.02 0.02) = 0.010% HA ALA 84 - HN CYS 21 10.000% * 0.0086% (0.17 1.0 0.02 0.02) = 0.009% HA2 GLY 109 - HN CYS 21 10.000% * 0.0054% (0.10 1.0 0.02 0.02) = 0.005% Peak 1249 (3.82, 7.87, 121.30 ppm): 8 chemical-shift based assignments, quality = 0.492, support = 4.31, residual support = 22.8: HB2 CYS 53 - HN ARG+ 54 12.500% * 83.7617% (0.48 5.04 27.19) = 83.762% kept HD2 PRO 58 - HN ARG+ 54 12.500% * 11.7367% (0.74 0.46 0.02) = 11.737% kept HB2 CYS 53 - HN ASP- 62 12.500% * 2.0376% (0.06 1.05 0.84) = 2.038% kept HA VAL 83 - HN ASP- 62 12.500% * 1.5103% (0.07 0.59 0.02) = 1.510% kept HA VAL 83 - HN ARG+ 54 12.500% * 0.4417% (0.64 0.02 0.02) = 0.442% HA GLU- 100 - HN ARG+ 54 12.500% * 0.4057% (0.59 0.02 0.02) = 0.406% HD2 PRO 58 - HN ASP- 62 12.500% * 0.0591% (0.09 0.02 0.02) = 0.059% HA GLU- 100 - HN ASP- 62 12.500% * 0.0472% (0.07 0.02 0.02) = 0.047% Peak 1250 (0.76, 7.72, 117.18 ppm): 5 chemical-shift based assignments, quality = 0.843, support = 0.972, residual support = 1.02: QG1 VAL 41 - HN ALA 61 20.000% * 61.2979% (0.84 1.28 1.59) = 61.298% kept QG2 VAL 18 - HN ALA 61 20.000% * 29.6735% (0.88 0.59 0.14) = 29.673% kept QG1 VAL 43 - HN ALA 61 20.000% * 6.6194% (1.00 0.12 0.02) = 6.619% kept QD1 ILE 19 - HN ALA 61 20.000% * 1.5795% (0.24 0.12 0.02) = 1.580% kept QG2 THR 46 - HN ALA 61 20.000% * 0.8298% (0.73 0.02 0.02) = 0.830% Peak 1251 (2.15, 8.36, 120.50 ppm): 5 chemical-shift based assignments, quality = 0.827, support = 3.47, residual support = 14.6: QB GLU- 36 - HN ASN 35 20.000% * 47.0446% (0.84 5.01 29.74) = 47.045% kept HB3 GLU- 29 - HN ASN 35 20.000% * 23.3411% (0.98 2.12 1.63) = 23.341% kept HB3 GLU- 79 - HN ASN 35 20.000% * 21.5194% (0.73 2.63 0.76) = 21.519% kept HG3 GLU- 29 - HN ASN 35 20.000% * 5.0173% (0.49 0.92 1.63) = 5.017% kept HB2 GLN 90 - HN ASN 35 20.000% * 3.0776% (0.78 0.35 0.02) = 3.078% kept Peak 1252 (2.30, 8.48, 122.27 ppm): 5 chemical-shift based assignments, quality = 0.427, support = 2.96, residual support = 41.3: O QB MET 11 - HN MET 11 20.000% * 99.4109% (0.43 10.0 2.97 41.52) = 99.411% kept HG2 MET 92 - HN MET 11 20.000% * 0.1681% (0.73 1.0 0.02 0.02) = 0.168% HG3 GLU- 36 - HN MET 11 20.000% * 0.1681% (0.73 1.0 0.02 0.02) = 0.168% QG GLU- 114 - HN MET 11 20.000% * 0.1404% (0.61 1.0 0.02 0.02) = 0.140% HB2 GLU- 79 - HN MET 11 20.000% * 0.1126% (0.49 1.0 0.02 0.02) = 0.113% Peak 1253 (2.08, 8.48, 122.27 ppm): 5 chemical-shift based assignments, quality = 0.83, support = 2.89, residual support = 35.9: HG2 MET 11 - HN MET 11 20.000% * 86.3175% (0.84 3.28 41.52) = 86.318% kept HB2 GLU- 14 - HN MET 11 20.000% * 12.3526% (0.88 0.44 0.15) = 12.353% kept HG2 PRO 58 - HN MET 11 20.000% * 0.6026% (0.96 0.02 0.02) = 0.603% HG3 PRO 52 - HN MET 11 20.000% * 0.6026% (0.96 0.02 0.02) = 0.603% HB2 PRO 68 - HN MET 11 20.000% * 0.1247% (0.20 0.02 0.02) = 0.125% Peak 1254 (1.91, 8.48, 122.27 ppm): 5 chemical-shift based assignments, quality = 0.795, support = 2.9, residual support = 36.9: HG3 MET 11 - HN MET 11 20.000% * 88.8037% (0.84 3.22 41.52) = 88.804% kept HB3 PRO 58 - HN MET 11 20.000% * 5.6152% (0.43 0.40 0.02) = 5.615% kept HB3 GLU- 14 - HN MET 11 20.000% * 5.3421% (0.55 0.30 0.15) = 5.342% kept HB2 MET 92 - HN MET 11 20.000% * 0.1305% (0.20 0.02 0.02) = 0.131% HB3 MET 96 - HN MET 11 20.000% * 0.1085% (0.16 0.02 0.02) = 0.108% Peak 1255 (1.55, 8.48, 122.27 ppm): 5 chemical-shift based assignments, quality = 0.367, support = 0.433, residual support = 0.501: HD3 LYS+ 74 - HN MET 11 20.000% * 73.8816% (0.24 0.58 0.67) = 73.882% kept HG2 LYS+ 33 - HN MET 11 20.000% * 10.8332% (1.00 0.02 0.02) = 10.833% kept QG LYS+ 81 - HN MET 11 20.000% * 7.2255% (0.67 0.02 0.02) = 7.226% kept HG2 LYS+ 106 - HN MET 11 20.000% * 5.9158% (0.55 0.02 0.02) = 5.916% kept HB3 LYS+ 111 - HN MET 11 20.000% * 2.1439% (0.20 0.02 0.02) = 2.144% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1256 (2.08, 8.37, 125.10 ppm): 4 chemical-shift based assignments, quality = 0.716, support = 3.19, residual support = 9.02: HG2 MET 11 - HN ALA 12 25.000% * 94.3188% (0.72 3.38 9.56) = 94.319% kept HB2 GLU- 14 - HN ALA 12 25.000% * 2.6059% (0.72 0.09 0.02) = 2.606% kept HG2 PRO 58 - HN ALA 12 25.000% * 2.5415% (0.69 0.10 0.02) = 2.541% kept HG3 PRO 52 - HN ALA 12 25.000% * 0.5338% (0.69 0.02 0.02) = 0.534% Peak 1257 (1.39, 8.37, 125.10 ppm): 10 chemical-shift based assignments, quality = 0.633, support = 2.15, residual support = 11.7: O QB ALA 12 - HN ALA 12 10.000% * 97.3589% (0.64 10.0 2.20 11.97) = 97.359% kept HG3 LYS+ 33 - HN ALA 12 10.000% * 2.1665% (0.64 1.0 0.45 0.02) = 2.167% kept HG3 LYS+ 65 - HN ALA 12 10.000% * 0.0863% (0.56 1.0 0.02 0.02) = 0.086% HB VAL 42 - HN ALA 12 10.000% * 0.0863% (0.56 1.0 0.02 0.02) = 0.086% HB3 LEU 73 - HN ALA 12 10.000% * 0.0736% (0.48 1.0 0.02 0.02) = 0.074% HG3 LYS+ 102 - HN ALA 12 10.000% * 0.0669% (0.44 1.0 0.02 0.02) = 0.067% HB2 LYS+ 112 - HN ALA 12 10.000% * 0.0537% (0.35 1.0 0.02 0.02) = 0.054% QB LEU 98 - HN ALA 12 10.000% * 0.0537% (0.35 1.0 0.02 0.12) = 0.054% HG3 LYS+ 106 - HN ALA 12 10.000% * 0.0358% (0.23 1.0 0.02 0.02) = 0.036% HB3 LYS+ 74 - HN ALA 12 10.000% * 0.0181% (0.12 1.0 0.02 0.02) = 0.018% Peak 1258 (1.39, 8.24, 114.58 ppm): 10 chemical-shift based assignments, quality = 0.849, support = 1.52, residual support = 3.04: QB ALA 12 - HN SER 13 10.000% * 93.2863% (0.88 1.63 3.26) = 93.286% kept HG3 LYS+ 33 - HN SER 13 10.000% * 1.1429% (0.88 0.02 0.02) = 1.143% kept HG3 LYS+ 65 - HN SER 13 10.000% * 1.0137% (0.78 0.02 0.02) = 1.014% kept HB VAL 42 - HN SER 13 10.000% * 1.0137% (0.78 0.02 0.02) = 1.014% kept HB3 LEU 73 - HN SER 13 10.000% * 0.8638% (0.67 0.02 0.02) = 0.864% HG3 LYS+ 102 - HN SER 13 10.000% * 0.7855% (0.61 0.02 0.02) = 0.785% HB2 LYS+ 112 - HN SER 13 10.000% * 0.6304% (0.49 0.02 0.02) = 0.630% QB LEU 98 - HN SER 13 10.000% * 0.6304% (0.49 0.02 0.02) = 0.630% HG3 LYS+ 106 - HN SER 13 10.000% * 0.4204% (0.32 0.02 0.02) = 0.420% HB3 LYS+ 74 - HN SER 13 10.000% * 0.2130% (0.16 0.02 0.02) = 0.213% Peak 1259 (3.88, 8.32, 122.30 ppm): 5 chemical-shift based assignments, quality = 0.274, support = 2.17, residual support = 5.32: QB SER 13 - HN GLU- 14 20.000% * 94.0216% (0.26 2.31 5.65) = 94.022% kept HB THR 118 - HN GLU- 14 20.000% * 2.1565% (0.69 0.02 0.02) = 2.156% kept HA ILE 89 - HN GLU- 14 20.000% * 1.4455% (0.46 0.02 0.02) = 1.446% kept HB3 SER 37 - HN GLU- 14 20.000% * 1.4455% (0.46 0.02 0.02) = 1.446% kept HB THR 39 - HN GLU- 14 20.000% * 0.9310% (0.30 0.02 0.02) = 0.931% Peak 1260 (2.26, 8.32, 122.30 ppm): 8 chemical-shift based assignments, quality = 0.355, support = 2.89, residual support = 26.7: QG GLU- 14 - HN GLU- 14 12.500% * 70.9741% (0.38 3.71 36.96) = 70.974% kept QG GLU- 15 - HN GLU- 14 12.500% * 15.2580% (0.23 1.34 2.66) = 15.258% kept HB2 GLU- 29 - HN GLU- 14 12.500% * 9.4796% (0.34 0.56 0.13) = 9.480% kept HG12 ILE 119 - HN GLU- 14 12.500% * 2.7026% (0.68 0.08 0.02) = 2.703% kept QG GLN 90 - HN GLU- 14 12.500% * 0.5489% (0.55 0.02 0.02) = 0.549% HB3 PHE 72 - HN GLU- 14 12.500% * 0.4677% (0.46 0.02 0.02) = 0.468% HB2 ASP- 44 - HN GLU- 14 12.500% * 0.3414% (0.34 0.02 0.02) = 0.341% HG3 MET 92 - HN GLU- 14 12.500% * 0.2277% (0.23 0.02 0.02) = 0.228% Peak 1261 (2.08, 8.32, 122.30 ppm): 4 chemical-shift based assignments, quality = 0.691, support = 3.63, residual support = 36.9: O HB2 GLU- 14 - HN GLU- 14 25.000% * 99.7082% (0.69 10.0 3.65 36.96) = 99.708% kept HG2 MET 11 - HN GLU- 14 25.000% * 0.1002% (0.70 1.0 0.02 0.15) = 0.100% HG2 PRO 58 - HN GLU- 14 25.000% * 0.0958% (0.67 1.0 0.02 0.02) = 0.096% HG3 PRO 52 - HN GLU- 14 25.000% * 0.0958% (0.67 1.0 0.02 0.02) = 0.096% Peak 1262 (1.93, 8.32, 122.30 ppm): 4 chemical-shift based assignments, quality = 0.544, support = 3.64, residual support = 36.9: O HB3 GLU- 14 - HN GLU- 14 25.000% * 99.7416% (0.55 10.0 3.65 36.96) = 99.742% kept HB3 MET 96 - HN GLU- 14 25.000% * 0.1268% (0.69 1.0 0.02 0.02) = 0.127% HB2 LEU 40 - HN GLU- 14 25.000% * 0.0696% (0.38 1.0 0.02 0.02) = 0.070% HG3 MET 11 - HN GLU- 14 25.000% * 0.0620% (0.34 1.0 0.02 0.15) = 0.062% Peak 1263 (2.20, 7.69, 115.83 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 4.59, residual support = 55.9: QG GLN 17 - HN GLN 17 25.000% * 80.6902% (1.00 5.38 68.85) = 80.690% kept HB VAL 70 - HN GLN 17 25.000% * 18.9015% (0.96 1.31 1.63) = 18.902% kept HB2 GLU- 25 - HN GLN 17 25.000% * 0.2952% (0.98 0.02 0.02) = 0.295% HB2 MET 96 - HN GLN 17 25.000% * 0.1130% (0.38 0.02 0.02) = 0.113% Peak 1264 (2.01, 7.69, 115.83 ppm): 8 chemical-shift based assignments, quality = 0.832, support = 5.08, residual support = 64.9: O HB2 GLN 17 - HN GLN 17 12.500% * 94.2453% (0.84 10.0 5.32 68.85) = 94.245% kept QB GLU- 15 - HN GLN 17 12.500% * 5.3239% (0.84 1.0 1.13 0.16) = 5.324% kept HB3 GLU- 25 - HN GLN 17 12.500% * 0.1123% (1.00 1.0 0.02 0.02) = 0.112% HB2 LYS+ 111 - HN GLN 17 12.500% * 0.0819% (0.73 1.0 0.02 0.02) = 0.082% QB GLU- 114 - HN GLN 17 12.500% * 0.0819% (0.73 1.0 0.02 0.02) = 0.082% HB ILE 19 - HN GLN 17 12.500% * 0.0684% (0.61 1.0 0.02 0.02) = 0.068% HG2 PRO 68 - HN GLN 17 12.500% * 0.0549% (0.49 1.0 0.02 0.02) = 0.055% HB3 PRO 68 - HN GLN 17 12.500% * 0.0314% (0.28 1.0 0.02 0.02) = 0.031% Peak 1265 (1.79, 7.69, 115.83 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 4.94, residual support = 67.0: O HB3 GLN 17 - HN GLN 17 25.000% * 97.3034% (0.96 10.0 5.05 68.85) = 97.303% kept HB2 LEU 71 - HN GLN 17 25.000% * 2.5192% (0.55 1.0 0.91 0.02) = 2.519% kept QB LYS+ 102 - HN GLN 17 25.000% * 0.1278% (0.32 1.0 0.08 0.02) = 0.128% QB LYS+ 65 - HN GLN 17 25.000% * 0.0495% (0.49 1.0 0.02 0.02) = 0.050% Peak 1266 (2.01, 8.66, 110.73 ppm): 8 chemical-shift based assignments, quality = 0.936, support = 2.19, residual support = 8.64: HB2 GLN 17 - HN GLY 16 12.500% * 61.0029% (0.95 2.61 12.33) = 61.003% kept QB GLU- 15 - HN GLY 16 12.500% * 37.4436% (0.95 1.60 2.99) = 37.444% kept HB2 LYS+ 111 - HN GLY 16 12.500% * 0.4586% (0.93 0.02 0.02) = 0.459% HB3 GLU- 25 - HN GLY 16 12.500% * 0.4129% (0.84 0.02 0.02) = 0.413% HB3 PRO 68 - HN GLY 16 12.500% * 0.2838% (0.58 0.02 0.02) = 0.284% QB GLU- 114 - HN GLY 16 12.500% * 0.1756% (0.36 0.02 0.02) = 0.176% HB ILE 19 - HN GLY 16 12.500% * 0.1301% (0.26 0.02 0.02) = 0.130% HG2 PRO 68 - HN GLY 16 12.500% * 0.0926% (0.19 0.02 0.02) = 0.093% Peak 1267 (2.19, 8.27, 122.56 ppm): 4 chemical-shift based assignments, quality = 0.427, support = 4.81, residual support = 33.5: QG GLN 17 - HN VAL 18 25.000% * 80.5009% (0.45 5.57 41.16) = 80.501% kept HB VAL 70 - HN VAL 18 25.000% * 18.8482% (0.35 1.69 2.03) = 18.848% kept HB2 GLU- 25 - HN VAL 18 25.000% * 0.3959% (0.62 0.02 0.02) = 0.396% HB2 LYS+ 38 - HN VAL 18 25.000% * 0.2550% (0.40 0.02 0.02) = 0.255% Peak 1268 (1.97, 8.27, 122.56 ppm): 5 chemical-shift based assignments, quality = 0.444, support = 4.91, residual support = 61.8: O HB VAL 18 - HN VAL 18 20.000% * 98.8327% (0.45 10.0 4.96 62.50) = 98.833% kept HB2 LEU 115 - HN VAL 18 20.000% * 0.7851% (0.81 1.0 0.09 0.02) = 0.785% HB2 LEU 67 - HN VAL 18 20.000% * 0.1792% (0.81 1.0 0.02 0.02) = 0.179% HG3 PRO 58 - HN VAL 18 20.000% * 0.1696% (0.77 1.0 0.02 0.02) = 0.170% HB3 ARG+ 54 - HN VAL 18 20.000% * 0.0334% (0.15 1.0 0.02 0.02) = 0.033% Peak 1269 (1.81, 8.27, 122.56 ppm): 7 chemical-shift based assignments, quality = 0.672, support = 0.261, residual support = 0.143: QB LYS+ 65 - HN VAL 18 14.286% * 40.9318% (0.72 0.34 0.13) = 40.932% kept HB2 LEU 71 - HN VAL 18 14.286% * 32.8399% (0.67 0.29 0.02) = 32.840% kept QB LYS+ 66 - HN VAL 18 14.286% * 15.1087% (0.62 0.15 0.55) = 15.109% kept HG12 ILE 103 - HN VAL 18 14.286% * 4.0142% (0.18 0.13 0.02) = 4.014% kept HG2 PRO 93 - HN VAL 18 14.286% * 3.0565% (0.90 0.02 0.02) = 3.057% kept QB LYS+ 102 - HN VAL 18 14.286% * 2.8785% (0.85 0.02 0.02) = 2.879% kept HB VAL 41 - HN VAL 18 14.286% * 1.1703% (0.35 0.02 0.02) = 1.170% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1270 (0.76, 8.27, 122.56 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 4.48, residual support = 51.6: QG2 VAL 18 - HN VAL 18 20.000% * 79.4267% (0.81 5.12 62.50) = 79.427% kept QD1 ILE 19 - HN VAL 18 20.000% * 12.5403% (0.22 3.03 15.72) = 12.540% kept QG1 VAL 41 - HN VAL 18 20.000% * 6.5808% (0.77 0.45 0.02) = 6.581% kept QG2 THR 46 - HN VAL 18 20.000% * 1.1025% (0.67 0.09 0.94) = 1.102% kept QG1 VAL 43 - HN VAL 18 20.000% * 0.3497% (0.92 0.02 0.02) = 0.350% Peak 1271 (0.41, 8.27, 122.56 ppm): 1 chemical-shift based assignment, quality = 0.67, support = 2.71, residual support = 10.2: QB ALA 64 - HN VAL 18 100.000% *100.0000% (0.67 2.71 10.19) = 100.000% kept Peak 1272 (7.24, 8.20, 120.98 ppm): 8 chemical-shift based assignments, quality = 0.515, support = 1.64, residual support = 4.19: HN PHE 59 - HN GLU- 15 12.500% * 41.4976% (0.88 1.08 2.55) = 41.498% kept HN PHE 59 - HN PHE 60 12.500% * 25.9829% (0.17 3.56 8.87) = 25.983% kept QE PHE 59 - HN GLU- 15 12.500% * 10.4818% (0.32 0.74 2.55) = 10.482% kept QE PHE 59 - HN PHE 60 12.500% * 6.0829% (0.06 2.27 8.87) = 6.083% kept HH2 TRP 87 - HN GLU- 15 12.500% * 5.9924% (0.49 0.28 0.02) = 5.992% kept HN HIS 122 - HN GLU- 15 12.500% * 5.6564% (0.61 0.21 0.02) = 5.656% kept HH2 TRP 87 - HN PHE 60 12.500% * 2.4372% (0.09 0.61 0.98) = 2.437% kept HN HIS 122 - HN PHE 60 12.500% * 1.8688% (0.12 0.37 0.02) = 1.869% kept Peak 1273 (7.72, 8.20, 120.98 ppm): 8 chemical-shift based assignments, quality = 0.83, support = 2.86, residual support = 7.63: HN ALA 61 - HN GLU- 15 12.500% * 71.9456% (1.00 2.85 4.66) = 71.946% kept HN ALA 61 - HN PHE 60 12.500% * 19.4135% (0.19 4.06 22.06) = 19.413% kept HN ALA 91 - HN GLU- 15 12.500% * 6.4886% (0.98 0.26 0.02) = 6.489% kept HE3 TRP 87 - HN GLU- 15 12.500% * 1.3993% (0.73 0.08 0.02) = 1.399% kept HN TRP 27 - HN PHE 60 12.500% * 0.3145% (0.10 0.12 0.02) = 0.315% HN TRP 27 - HN GLU- 15 12.500% * 0.2752% (0.55 0.02 0.02) = 0.275% HN ALA 91 - HN PHE 60 12.500% * 0.0937% (0.19 0.02 0.02) = 0.094% HE3 TRP 87 - HN PHE 60 12.500% * 0.0694% (0.14 0.02 0.98) = 0.069% Peak 1274 (2.97, 8.20, 120.98 ppm): 8 chemical-shift based assignments, quality = 0.414, support = 3.36, residual support = 43.7: O HB3 PHE 60 - HN PHE 60 12.500% * 71.5365% (0.19 10.0 4.12 59.96) = 71.536% kept HB3 PHE 60 - HN GLU- 15 12.500% * 27.8732% (1.00 1.0 1.48 2.79) = 27.873% kept QE LYS+ 106 - HN GLU- 15 12.500% * 0.3327% (0.88 1.0 0.02 0.02) = 0.333% HB2 PHE 97 - HN GLU- 15 12.500% * 0.0889% (0.24 1.0 0.02 0.02) = 0.089% HB3 TRP 27 - HN GLU- 15 12.500% * 0.0746% (0.20 1.0 0.02 0.02) = 0.075% QE LYS+ 106 - HN PHE 60 12.500% * 0.0631% (0.17 1.0 0.02 0.02) = 0.063% HB2 PHE 97 - HN PHE 60 12.500% * 0.0169% (0.04 1.0 0.02 0.02) = 0.017% HB3 TRP 27 - HN PHE 60 12.500% * 0.0142% (0.04 1.0 0.02 0.02) = 0.014% Peak 1275 (3.15, 8.20, 120.98 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 2.07, residual support = 4.97: HB3 PHE 59 - HN GLU- 15 25.000% * 59.9976% (0.67 1.08 2.55) = 59.998% kept HB3 PHE 59 - HN PHE 60 25.000% * 38.7994% (0.13 3.68 8.87) = 38.799% kept HB3 TRP 49 - HN GLU- 15 25.000% * 1.0112% (0.61 0.02 0.02) = 1.011% kept HB3 TRP 49 - HN PHE 60 25.000% * 0.1919% (0.12 0.02 0.02) = 0.192% 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 = 0.131, support = 1.46, residual support = 2.05: T HN SER 117 - HN THR 118 16.667% * 78.3452% (0.12 10.00 1.76 2.61) = 78.345% kept T HN SER 117 - HN PHE 60 16.667% * 18.1375% (0.15 10.00 0.33 0.02) = 18.138% kept HN GLY 16 - HN PHE 60 16.667% * 3.3330% (0.20 1.00 0.47 0.02) = 3.333% kept HN GLY 16 - HN THR 118 16.667% * 0.1130% (0.16 1.00 0.02 0.02) = 0.113% HN SER 82 - HN PHE 60 16.667% * 0.0396% (0.05 1.00 0.02 0.02) = 0.040% HN SER 82 - HN THR 118 16.667% * 0.0316% (0.04 1.00 0.02 0.02) = 0.032% Not enough quality. Peak unassigned. Peak 1278 (0.24, 8.17, 120.70 ppm): 2 chemical-shift based assignments, quality = 0.0702, support = 2.29, residual support = 15.3: QG2 THR 118 - HN THR 118 50.000% * 84.2098% (0.07 2.64 18.17) = 84.210% kept QG2 THR 118 - HN PHE 60 50.000% * 15.7902% (0.08 0.39 0.02) = 15.790% kept Peak 1279 (3.90, 8.17, 120.70 ppm): 2 chemical-shift based assignments, quality = 0.0739, support = 4.37, residual support = 59.9: O HA PHE 60 - HN PHE 60 50.000% * 99.9204% (0.07 10.0 4.37 59.96) = 99.920% kept HA PHE 60 - HN THR 118 50.000% * 0.0796% (0.06 1.0 0.02 0.02) = 0.080% Peak 1280 (3.69, 8.17, 120.70 ppm): 10 chemical-shift based assignments, quality = 0.0925, support = 2.74, residual support = 24.4: O HA THR 118 - HN THR 118 10.000% * 79.1103% (0.09 10.0 2.73 18.17) = 79.110% kept HA ILE 119 - HN THR 118 10.000% * 17.9772% (0.12 1.0 3.17 55.89) = 17.977% kept HA ILE 119 - HN PHE 60 10.000% * 1.6453% (0.15 1.0 0.23 0.02) = 1.645% kept HA THR 118 - HN PHE 60 10.000% * 0.8730% (0.11 1.0 0.18 0.02) = 0.873% HB2 TRP 49 - HN PHE 60 10.000% * 0.1213% (0.13 1.0 0.02 0.02) = 0.121% HB2 TRP 49 - HN THR 118 10.000% * 0.0966% (0.10 1.0 0.02 0.13) = 0.097% HA ALA 84 - HN PHE 60 10.000% * 0.0682% (0.07 1.0 0.02 0.02) = 0.068% HA ALA 84 - HN THR 118 10.000% * 0.0544% (0.06 1.0 0.02 0.02) = 0.054% HA2 GLY 109 - HN PHE 60 10.000% * 0.0299% (0.03 1.0 0.02 0.02) = 0.030% HA2 GLY 109 - HN THR 118 10.000% * 0.0238% (0.03 1.0 0.02 0.02) = 0.024% Peak 1282 (4.35, 8.18, 120.93 ppm): 6 chemical-shift based assignments, quality = 0.967, support = 3.52, residual support = 8.79: O HA PHE 59 - HN PHE 60 16.667% * 99.1244% (0.98 10.0 3.55 8.87) = 99.124% kept HA ASP- 113 - HN PHE 60 16.667% * 0.7156% (0.32 1.0 0.44 0.02) = 0.716% HA PHE 59 - HN THR 118 16.667% * 0.0773% (0.76 1.0 0.02 6.40) = 0.077% HA TRP 87 - HN PHE 60 16.667% * 0.0323% (0.32 1.0 0.02 0.98) = 0.032% HA ASP- 113 - HN THR 118 16.667% * 0.0252% (0.25 1.0 0.02 0.02) = 0.025% HA TRP 87 - HN THR 118 16.667% * 0.0252% (0.25 1.0 0.02 0.13) = 0.025% Peak 1283 (3.91, 8.18, 120.93 ppm): 4 chemical-shift based assignments, quality = 0.891, support = 4.34, residual support = 58.9: O HA PHE 60 - HN PHE 60 25.000% * 98.2154% (0.90 10.0 4.37 59.96) = 98.215% kept QB SER 117 - HN THR 118 25.000% * 1.6906% (0.13 1.0 2.48 2.61) = 1.691% kept HA PHE 60 - HN THR 118 25.000% * 0.0766% (0.71 1.0 0.02 0.02) = 0.077% QB SER 117 - HN PHE 60 25.000% * 0.0175% (0.16 1.0 0.02 0.02) = 0.017% Peak 1286 (2.26, 8.18, 120.93 ppm): 16 chemical-shift based assignments, quality = 0.681, support = 1.77, residual support = 28.4: HG12 ILE 119 - HN THR 118 6.250% * 50.3672% (0.60 3.24 55.89) = 50.367% kept QG GLN 90 - HN PHE 60 6.250% * 6.8031% (0.96 0.27 0.02) = 6.803% kept HB3 PHE 72 - HN PHE 60 6.250% * 6.6927% (0.90 0.28 2.43) = 6.693% kept HB2 ASP- 44 - HN PHE 60 6.250% * 6.2623% (0.77 0.31 0.02) = 6.262% kept HB3 PHE 72 - HN THR 118 6.250% * 6.0731% (0.71 0.33 0.02) = 6.073% kept HG12 ILE 119 - HN PHE 60 6.250% * 5.9197% (0.77 0.30 0.02) = 5.920% kept QG GLU- 14 - HN THR 118 6.250% * 5.7303% (0.64 0.35 0.02) = 5.730% kept QG GLU- 14 - HN PHE 60 6.250% * 4.3352% (0.82 0.20 0.11) = 4.335% kept HB2 ASP- 44 - HN THR 118 6.250% * 4.0662% (0.60 0.26 0.02) = 4.066% kept QG GLN 90 - HN THR 118 6.250% * 1.7487% (0.75 0.09 0.02) = 1.749% kept QG GLU- 15 - HN PHE 60 6.250% * 1.4235% (0.59 0.09 2.79) = 1.424% kept QG GLU- 15 - HN THR 118 6.250% * 0.2411% (0.46 0.02 0.02) = 0.241% HB2 GLU- 29 - HN PHE 60 6.250% * 0.1202% (0.23 0.02 0.02) = 0.120% HB2 GLU- 29 - HN THR 118 6.250% * 0.0937% (0.18 0.02 0.02) = 0.094% HG3 MET 92 - HN PHE 60 6.250% * 0.0690% (0.13 0.02 0.02) = 0.069% HG3 MET 92 - HN THR 118 6.250% * 0.0538% (0.10 0.02 0.02) = 0.054% Peak 1287 (1.99, 8.18, 120.93 ppm): 12 chemical-shift based assignments, quality = 0.582, support = 0.529, residual support = 0.188: HG3 PRO 58 - HN PHE 60 8.333% * 39.7549% (0.77 0.63 0.14) = 39.755% kept HB2 LEU 115 - HN THR 118 8.333% * 25.5514% (0.55 0.56 0.45) = 25.551% kept QB GLU- 114 - HN THR 118 8.333% * 14.3502% (0.25 0.71 0.11) = 14.350% kept HB2 LEU 115 - HN PHE 60 8.333% * 12.2775% (0.71 0.21 0.02) = 12.278% kept QB GLU- 114 - HN PHE 60 8.333% * 3.7430% (0.32 0.14 0.02) = 3.743% kept HG3 PRO 58 - HN THR 118 8.333% * 0.9774% (0.60 0.02 0.02) = 0.977% HG2 PRO 68 - HN PHE 60 8.333% * 0.8748% (0.54 0.02 0.02) = 0.875% HB ILE 19 - HN PHE 60 8.333% * 0.6882% (0.42 0.02 0.02) = 0.688% HG2 PRO 68 - HN THR 118 8.333% * 0.6819% (0.42 0.02 0.02) = 0.682% HB ILE 19 - HN THR 118 8.333% * 0.5364% (0.33 0.02 0.02) = 0.536% HB2 LEU 67 - HN PHE 60 8.333% * 0.3170% (0.19 0.02 0.02) = 0.317% HB2 LEU 67 - HN THR 118 8.333% * 0.2471% (0.15 0.02 0.02) = 0.247% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1288 (1.69, 8.20, 120.98 ppm): 16 chemical-shift based assignments, quality = 0.576, support = 0.0832, residual support = 0.0371: HG3 PRO 93 - HN GLU- 15 6.250% * 24.0673% (0.55 0.11 0.02) = 24.067% kept HB2 LEU 123 - HN GLU- 15 6.250% * 21.6074% (0.61 0.09 0.02) = 21.607% kept QD LYS+ 99 - HN PHE 60 6.250% * 11.5381% (0.12 0.25 0.02) = 11.538% kept HB3 MET 92 - HN GLU- 15 6.250% * 7.9604% (1.00 0.02 0.02) = 7.960% kept HD2 LYS+ 111 - HN GLU- 15 6.250% * 7.6101% (0.96 0.02 0.02) = 7.610% kept HB2 LEU 73 - HN GLU- 15 6.250% * 7.3484% (0.92 0.02 0.02) = 7.348% kept QD LYS+ 106 - HN GLU- 15 6.250% * 5.3094% (0.67 0.02 0.02) = 5.309% kept QD LYS+ 99 - HN GLU- 15 6.250% * 4.8282% (0.61 0.02 0.02) = 4.828% kept QD LYS+ 102 - HN GLU- 15 6.250% * 2.2133% (0.28 0.02 0.02) = 2.213% kept HB3 MET 92 - HN PHE 60 6.250% * 1.5105% (0.19 0.02 0.02) = 1.510% kept HD2 LYS+ 111 - HN PHE 60 6.250% * 1.4440% (0.18 0.02 0.02) = 1.444% kept HB2 LEU 73 - HN PHE 60 6.250% * 1.3944% (0.18 0.02 1.28) = 1.394% kept QD LYS+ 106 - HN PHE 60 6.250% * 1.0075% (0.13 0.02 0.02) = 1.007% kept HB2 LEU 123 - HN PHE 60 6.250% * 0.9162% (0.12 0.02 0.12) = 0.916% HG3 PRO 93 - HN PHE 60 6.250% * 0.8248% (0.10 0.02 0.02) = 0.825% QD LYS+ 102 - HN PHE 60 6.250% * 0.4200% (0.05 0.02 0.02) = 0.420% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1289 (1.41, 8.20, 120.98 ppm): 16 chemical-shift based assignments, quality = 0.577, support = 0.752, residual support = 4.28: HB2 LEU 80 - HN GLU- 15 6.250% * 40.3034% (0.98 0.34 0.02) = 40.303% kept QB ALA 61 - HN GLU- 15 6.250% * 28.3996% (0.24 0.99 4.66) = 28.400% kept QB ALA 61 - HN PHE 60 6.250% * 13.3629% (0.04 2.45 22.06) = 13.363% kept HB3 LYS+ 74 - HN GLU- 15 6.250% * 8.6666% (0.78 0.09 0.02) = 8.667% kept HD3 LYS+ 121 - HN GLU- 15 6.250% * 2.0386% (0.84 0.02 0.02) = 2.039% kept HG12 ILE 19 - HN GLU- 15 6.250% * 1.6279% (0.67 0.02 0.02) = 1.628% kept QB ALA 110 - HN GLU- 15 6.250% * 1.3328% (0.55 0.02 0.02) = 1.333% kept HG LEU 80 - HN GLU- 15 6.250% * 1.1880% (0.49 0.02 0.02) = 1.188% kept QB LEU 98 - HN GLU- 15 6.250% * 0.9160% (0.38 0.02 0.02) = 0.916% HB2 LEU 80 - HN PHE 60 6.250% * 0.4539% (0.19 0.02 0.02) = 0.454% HD3 LYS+ 121 - HN PHE 60 6.250% * 0.3868% (0.16 0.02 0.43) = 0.387% HB3 LYS+ 74 - HN PHE 60 6.250% * 0.3625% (0.15 0.02 0.02) = 0.362% HG12 ILE 19 - HN PHE 60 6.250% * 0.3089% (0.13 0.02 0.02) = 0.309% QB ALA 110 - HN PHE 60 6.250% * 0.2529% (0.10 0.02 0.02) = 0.253% HG LEU 80 - HN PHE 60 6.250% * 0.2254% (0.09 0.02 0.02) = 0.225% QB LEU 98 - HN PHE 60 6.250% * 0.1738% (0.07 0.02 0.02) = 0.174% Peak 1291 (1.28, 8.08, 121.56 ppm): 8 chemical-shift based assignments, quality = 0.772, support = 3.15, residual support = 15.3: O QB ALA 34 - HN ALA 34 12.500% * 95.6184% (0.78 10.0 3.25 16.01) = 95.618% kept QB ALA 34 - HN LEU 80 12.500% * 3.9889% (0.69 1.0 0.94 0.11) = 3.989% kept QG2 THR 23 - HN ALA 34 12.500% * 0.1197% (0.98 1.0 0.02 0.02) = 0.120% QG2 THR 23 - HN LEU 80 12.500% * 0.1064% (0.87 1.0 0.02 0.15) = 0.106% QG2 ILE 56 - HN ALA 34 12.500% * 0.0595% (0.48 1.0 0.02 0.02) = 0.059% QG2 ILE 56 - HN LEU 80 12.500% * 0.0528% (0.43 1.0 0.02 0.02) = 0.053% HG3 LYS+ 38 - HN ALA 34 12.500% * 0.0288% (0.23 1.0 0.02 0.02) = 0.029% HG3 LYS+ 38 - HN LEU 80 12.500% * 0.0256% (0.21 1.0 0.02 0.02) = 0.026% Peak 1292 (4.12, 8.08, 121.56 ppm): 14 chemical-shift based assignments, quality = 0.306, support = 2.62, residual support = 11.3: O HA ALA 34 - HN ALA 34 7.143% * 60.5011% (0.28 10.0 3.08 16.01) = 60.501% kept HA LYS+ 81 - HN LEU 80 7.143% * 10.6635% (0.21 1.0 4.68 14.17) = 10.663% kept HA LEU 115 - HN ALA 34 7.143% * 5.5496% (0.48 1.0 1.05 0.29) = 5.550% kept HA ASN 28 - HN ALA 34 7.143% * 4.7338% (0.54 1.0 0.80 0.02) = 4.734% kept HA LEU 115 - HN LEU 80 7.143% * 3.6800% (0.43 1.0 0.78 0.11) = 3.680% kept HA LYS+ 81 - HN ALA 34 7.143% * 3.6311% (0.23 1.0 1.42 2.21) = 3.631% kept HA ASN 28 - HN LEU 80 7.143% * 2.7117% (0.48 1.0 0.51 0.52) = 2.712% kept HA ALA 34 - HN LEU 80 7.143% * 2.2148% (0.25 1.0 0.82 0.11) = 2.215% kept HA GLU- 36 - HN ALA 34 7.143% * 2.1789% (0.13 1.0 1.48 0.12) = 2.179% kept HA ALA 124 - HN ALA 34 7.143% * 1.9572% (0.83 1.0 0.22 0.02) = 1.957% kept HA GLU- 36 - HN LEU 80 7.143% * 1.0958% (0.12 1.0 0.84 0.02) = 1.096% kept HA ALA 124 - HN LEU 80 7.143% * 0.6897% (0.74 1.0 0.09 0.02) = 0.690% HA ARG+ 54 - HN ALA 34 7.143% * 0.2080% (0.95 1.0 0.02 0.02) = 0.208% HA ARG+ 54 - HN LEU 80 7.143% * 0.1848% (0.84 1.0 0.02 0.02) = 0.185% Peak 1293 (4.00, 8.08, 121.56 ppm): 14 chemical-shift based assignments, quality = 0.943, support = 4.71, residual support = 13.7: O HA LYS+ 33 - HN ALA 34 7.143% * 70.7575% (0.98 10.0 5.87 19.04) = 70.757% kept HA GLU- 29 - HN ALA 34 7.143% * 10.7621% (0.98 1.0 3.04 1.17) = 10.762% kept HB2 SER 82 - HN ALA 34 7.143% * 6.3426% (0.88 1.0 1.99 0.59) = 6.343% kept HA LYS+ 33 - HN LEU 80 7.143% * 3.9982% (0.87 1.0 1.27 1.16) = 3.998% kept HA VAL 18 - HN ALA 34 7.143% * 3.4071% (0.95 1.0 0.99 0.12) = 3.407% kept HA GLU- 29 - HN LEU 80 7.143% * 1.6147% (0.87 1.0 0.51 0.02) = 1.615% kept HB2 SER 82 - HN LEU 80 7.143% * 1.4735% (0.78 1.0 0.52 0.02) = 1.473% kept HA GLN 116 - HN ALA 34 7.143% * 0.8473% (0.60 1.0 0.39 0.02) = 0.847% HA GLN 116 - HN LEU 80 7.143% * 0.6088% (0.54 1.0 0.31 0.02) = 0.609% HA VAL 18 - HN LEU 80 7.143% * 0.0613% (0.84 1.0 0.02 0.02) = 0.061% HA VAL 70 - HN ALA 34 7.143% * 0.0438% (0.60 1.0 0.02 0.02) = 0.044% HA VAL 70 - HN LEU 80 7.143% * 0.0389% (0.54 1.0 0.02 0.02) = 0.039% HA SER 48 - HN ALA 34 7.143% * 0.0234% (0.32 1.0 0.02 0.02) = 0.023% HA SER 48 - HN LEU 80 7.143% * 0.0208% (0.29 1.0 0.02 0.02) = 0.021% Peak 1294 (1.37, 8.08, 121.56 ppm): 20 chemical-shift based assignments, quality = 0.582, support = 2.42, residual support = 8.06: HG3 LYS+ 33 - HN ALA 34 5.000% * 41.4707% (0.54 4.56 19.04) = 41.471% kept HG3 LYS+ 33 - HN LEU 80 5.000% * 12.9712% (0.48 1.60 1.16) = 12.971% kept HB3 LEU 73 - HN LEU 80 5.000% * 12.8412% (0.69 1.11 0.11) = 12.841% kept HG3 LYS+ 65 - HN LEU 80 5.000% * 6.7313% (0.59 0.68 0.02) = 6.731% kept HB VAL 42 - HN LEU 80 5.000% * 6.3685% (0.59 0.64 0.02) = 6.368% kept HG3 LYS+ 106 - HN LEU 80 5.000% * 6.1273% (0.88 0.42 0.02) = 6.127% kept QB ALA 84 - HN ALA 34 5.000% * 5.3387% (0.32 0.99 0.02) = 5.339% kept HG3 LYS+ 106 - HN ALA 34 5.000% * 4.9260% (0.99 0.30 0.02) = 4.926% kept HB VAL 42 - HN ALA 34 5.000% * 1.1776% (0.66 0.11 0.02) = 1.178% kept HB2 LYS+ 112 - HN ALA 34 5.000% * 0.3078% (0.92 0.02 0.02) = 0.308% HG3 LYS+ 102 - HN ALA 34 5.000% * 0.2785% (0.83 0.02 0.02) = 0.279% HB2 LYS+ 112 - HN LEU 80 5.000% * 0.2734% (0.82 0.02 0.02) = 0.273% HB3 LEU 73 - HN ALA 34 5.000% * 0.2610% (0.78 0.02 0.02) = 0.261% HG3 LYS+ 102 - HN LEU 80 5.000% * 0.2474% (0.74 0.02 0.02) = 0.247% HG3 LYS+ 65 - HN ALA 34 5.000% * 0.2224% (0.66 0.02 0.02) = 0.222% HB3 PRO 93 - HN ALA 34 5.000% * 0.1251% (0.37 0.02 0.02) = 0.125% HB3 PRO 93 - HN LEU 80 5.000% * 0.1112% (0.33 0.02 0.13) = 0.111% QB ALA 84 - HN LEU 80 5.000% * 0.0962% (0.29 0.02 0.02) = 0.096% HG LEU 98 - HN ALA 34 5.000% * 0.0660% (0.20 0.02 0.02) = 0.066% HG LEU 98 - HN LEU 80 5.000% * 0.0586% (0.17 0.02 0.02) = 0.059% Peak 1295 (1.87, 8.08, 121.56 ppm): 24 chemical-shift based assignments, quality = 0.535, support = 3.27, residual support = 10.8: QB LYS+ 81 - HN LEU 80 4.167% * 32.0064% (0.64 3.92 14.17) = 32.006% kept QB LYS+ 33 - HN ALA 34 4.167% * 31.0629% (0.48 5.04 19.04) = 31.063% kept QB LYS+ 33 - HN LEU 80 4.167% * 9.5777% (0.43 1.75 1.16) = 9.578% kept QB LYS+ 81 - HN ALA 34 4.167% * 9.3205% (0.72 1.01 2.21) = 9.321% kept HB3 GLN 30 - HN ALA 34 4.167% * 7.5328% (0.43 1.38 0.22) = 7.533% kept HB3 GLN 30 - HN LEU 80 4.167% * 6.0680% (0.38 1.26 0.45) = 6.068% kept HB3 GLN 90 - HN ALA 34 4.167% * 2.5233% (0.60 0.33 0.02) = 2.523% kept HB ILE 56 - HN ALA 34 4.167% * 0.2339% (0.92 0.02 0.02) = 0.234% HB ILE 56 - HN LEU 80 4.167% * 0.2077% (0.82 0.02 0.02) = 0.208% QB LYS+ 106 - HN ALA 34 4.167% * 0.1983% (0.78 0.02 0.02) = 0.198% HB3 LYS+ 38 - HN ALA 34 4.167% * 0.1840% (0.72 0.02 0.02) = 0.184% QB LYS+ 106 - HN LEU 80 4.167% * 0.1761% (0.69 0.02 0.02) = 0.176% HB3 LYS+ 38 - HN LEU 80 4.167% * 0.1634% (0.64 0.02 0.02) = 0.163% HB3 GLN 90 - HN LEU 80 4.167% * 0.1365% (0.54 0.02 0.02) = 0.136% HB3 ASP- 105 - HN ALA 34 4.167% * 0.0822% (0.32 0.02 0.02) = 0.082% HB3 ASP- 105 - HN LEU 80 4.167% * 0.0731% (0.29 0.02 0.02) = 0.073% HG2 ARG+ 54 - HN ALA 34 4.167% * 0.0704% (0.28 0.02 0.02) = 0.070% HG2 ARG+ 54 - HN LEU 80 4.167% * 0.0626% (0.25 0.02 0.02) = 0.063% HB2 MET 92 - HN ALA 34 4.167% * 0.0597% (0.23 0.02 0.02) = 0.060% HB ILE 103 - HN ALA 34 4.167% * 0.0597% (0.23 0.02 0.02) = 0.060% HB2 MET 92 - HN LEU 80 4.167% * 0.0530% (0.21 0.02 0.02) = 0.053% HB ILE 103 - HN LEU 80 4.167% * 0.0530% (0.21 0.02 0.02) = 0.053% HG3 PRO 68 - HN ALA 34 4.167% * 0.0501% (0.20 0.02 0.02) = 0.050% HG3 PRO 68 - HN LEU 80 4.167% * 0.0445% (0.17 0.02 0.02) = 0.045% Peak 1296 (4.83, 8.09, 121.65 ppm): 6 chemical-shift based assignments, quality = 0.461, support = 4.11, residual support = 27.4: O HA LEU 80 - HN LEU 80 16.667% * 51.3903% (0.21 10.0 6.23 51.41) = 51.390% kept HA ASP- 78 - HN LEU 80 16.667% * 25.4527% (0.88 1.0 2.35 3.09) = 25.453% kept HA ASP- 78 - HN ALA 34 16.667% * 13.4015% (0.65 1.0 1.67 1.76) = 13.401% kept HA LEU 80 - HN ALA 34 16.667% * 3.4097% (0.15 1.0 1.79 0.11) = 3.410% kept HA THR 23 - HN ALA 34 16.667% * 3.2764% (0.51 1.0 0.52 0.02) = 3.276% kept HA THR 23 - HN LEU 80 16.667% * 3.0695% (0.69 1.0 0.36 0.15) = 3.069% kept Peak 1297 (4.26, 8.09, 121.65 ppm): 10 chemical-shift based assignments, quality = 0.514, support = 4.42, residual support = 14.6: O HA GLU- 79 - HN LEU 80 10.000% * 90.2377% (0.54 10.0 4.70 15.89) = 90.238% kept HA GLU- 79 - HN ALA 34 10.000% * 7.7757% (0.40 1.0 2.32 3.53) = 7.776% kept HA1 GLY 51 - HN LEU 80 10.000% * 0.9767% (0.78 1.0 0.15 0.02) = 0.977% HA1 GLY 51 - HN ALA 34 10.000% * 0.5389% (0.58 1.0 0.11 0.02) = 0.539% HA ALA 57 - HN LEU 80 10.000% * 0.1422% (0.84 1.0 0.02 0.02) = 0.142% HA THR 39 - HN LEU 80 10.000% * 0.1080% (0.64 1.0 0.02 0.02) = 0.108% HA ALA 57 - HN ALA 34 10.000% * 0.1055% (0.63 1.0 0.02 0.02) = 0.106% HA THR 39 - HN ALA 34 10.000% * 0.0802% (0.48 1.0 0.02 1.72) = 0.080% HA ILE 103 - HN LEU 80 10.000% * 0.0201% (0.12 1.0 0.02 0.02) = 0.020% HA ILE 103 - HN ALA 34 10.000% * 0.0149% (0.09 1.0 0.02 0.02) = 0.015% Peak 1298 (2.15, 8.09, 121.65 ppm): 10 chemical-shift based assignments, quality = 0.578, support = 2.86, residual support = 7.11: HB3 GLU- 79 - HN LEU 80 10.000% * 39.2656% (0.59 4.63 15.89) = 39.266% kept HB3 GLU- 29 - HN ALA 34 10.000% * 18.4791% (0.65 1.97 1.17) = 18.479% kept HB3 GLU- 79 - HN ALA 34 10.000% * 17.1669% (0.44 2.73 3.53) = 17.167% kept QB GLU- 36 - HN ALA 34 10.000% * 10.2603% (0.51 1.39 0.12) = 10.260% kept HB3 GLU- 29 - HN LEU 80 10.000% * 6.5102% (0.88 0.51 0.02) = 6.510% kept QB GLU- 36 - HN LEU 80 10.000% * 3.4511% (0.69 0.35 0.02) = 3.451% kept HG3 GLU- 29 - HN ALA 34 10.000% * 3.3673% (0.36 0.65 1.17) = 3.367% kept HG3 GLU- 29 - HN LEU 80 10.000% * 1.1291% (0.48 0.16 0.02) = 1.129% kept HB2 GLN 90 - HN LEU 80 10.000% * 0.2126% (0.74 0.02 0.02) = 0.213% HB2 GLN 90 - HN ALA 34 10.000% * 0.1577% (0.55 0.02 0.02) = 0.158% Peak 1300 (8.37, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.615, support = 3.62, residual support = 11.1: T HN ASN 35 - HN ALA 34 25.000% * 81.1226% (0.60 10.00 4.34 13.65) = 81.123% kept T HN ASN 35 - HN LEU 80 25.000% * 13.0432% (0.54 10.00 0.36 0.02) = 13.043% kept HN ALA 12 - HN ALA 34 25.000% * 5.7178% (0.98 1.00 0.87 0.82) = 5.718% kept HN ALA 12 - HN LEU 80 25.000% * 0.1164% (0.87 1.00 0.02 0.02) = 0.116% Peak 1301 (7.29, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.919, support = 3.2, residual support = 9.46: HN LYS+ 81 - HN LEU 80 25.000% * 60.7278% (0.88 3.86 14.17) = 60.728% kept HN LYS+ 81 - HN ALA 34 25.000% * 38.8645% (0.99 2.19 2.21) = 38.864% kept QD PHE 60 - HN ALA 34 25.000% * 0.2159% (0.60 0.02 0.02) = 0.216% QD PHE 60 - HN LEU 80 25.000% * 0.1918% (0.54 0.02 0.02) = 0.192% Peak 1302 (3.85, 8.08, 121.56 ppm): 14 chemical-shift based assignments, quality = 0.609, support = 1.09, residual support = 0.455: HB3 SER 82 - HN ALA 34 7.143% * 28.2271% (0.83 1.51 0.59) = 28.227% kept HA GLN 30 - HN ALA 34 7.143% * 17.5299% (0.60 1.29 0.22) = 17.530% kept QB SER 13 - HN ALA 34 7.143% * 11.6038% (0.37 1.38 0.58) = 11.604% kept HB3 SER 82 - HN LEU 80 7.143% * 8.6713% (0.74 0.52 0.02) = 8.671% kept HB THR 39 - HN ALA 34 7.143% * 8.2671% (0.32 1.13 1.72) = 8.267% kept HA GLN 30 - HN LEU 80 7.143% * 7.8127% (0.54 0.65 0.45) = 7.813% kept HD3 PRO 52 - HN LEU 80 7.143% * 6.8098% (0.64 0.47 0.02) = 6.810% kept HD3 PRO 52 - HN ALA 34 7.143% * 5.7013% (0.72 0.35 0.02) = 5.701% kept HB3 SER 37 - HN ALA 34 7.143% * 2.5255% (0.16 0.68 0.02) = 2.525% kept HA ILE 89 - HN ALA 34 7.143% * 2.4414% (0.16 0.66 0.02) = 2.441% kept QB SER 13 - HN LEU 80 7.143% * 0.1496% (0.33 0.02 0.02) = 0.150% HB THR 39 - HN LEU 80 7.143% * 0.1294% (0.29 0.02 0.02) = 0.129% HA ILE 89 - HN LEU 80 7.143% * 0.0656% (0.15 0.02 0.02) = 0.066% HB3 SER 37 - HN LEU 80 7.143% * 0.0656% (0.15 0.02 0.02) = 0.066% Peak 1303 (3.60, 8.08, 121.56 ppm): 2 chemical-shift based assignments, quality = 0.521, support = 2.77, residual support = 7.18: HA LEU 31 - HN ALA 34 50.000% * 63.2271% (0.54 3.18 9.42) = 63.227% kept HA LEU 31 - HN LEU 80 50.000% * 36.7729% (0.48 2.08 3.34) = 36.773% kept Peak 1304 (4.85, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.185, support = 1.79, residual support = 2.16: HA ASP- 78 - HN LEU 80 25.000% * 47.9208% (0.15 2.35 3.09) = 47.921% kept HA ASP- 78 - HN ALA 34 25.000% * 38.2873% (0.16 1.67 1.76) = 38.287% kept HA PHE 45 - HN LEU 80 25.000% * 12.5912% (0.38 0.24 0.02) = 12.591% kept HA PHE 45 - HN ALA 34 25.000% * 1.2007% (0.43 0.02 0.02) = 1.201% kept Not enough quality. Peak unassigned. Peak 1305 (2.91, 8.08, 121.56 ppm): 8 chemical-shift based assignments, quality = 0.68, support = 2.55, residual support = 5.22: HB2 ASP- 78 - HN LEU 80 12.500% * 31.7305% (0.84 2.44 3.09) = 31.730% kept HB2 ASP- 78 - HN ALA 34 12.500% * 26.7690% (0.95 1.83 1.76) = 26.769% kept QE LYS+ 33 - HN ALA 34 12.500% * 19.4988% (0.23 5.40 19.04) = 19.499% kept HB2 ASP- 76 - HN LEU 80 12.500% * 12.2810% (0.59 1.35 0.18) = 12.281% kept HB2 ASN 69 - HN LEU 80 12.500% * 5.6672% (0.43 0.86 0.02) = 5.667% kept QE LYS+ 33 - HN LEU 80 12.500% * 2.5400% (0.21 0.79 1.16) = 2.540% kept HB2 ASP- 76 - HN ALA 34 12.500% * 1.3645% (0.66 0.13 0.02) = 1.364% kept HB2 ASN 69 - HN ALA 34 12.500% * 0.1491% (0.48 0.02 0.02) = 0.149% Peak 1306 (2.33, 8.08, 121.56 ppm): 6 chemical-shift based assignments, quality = 0.393, support = 2.68, residual support = 8.58: HB2 GLU- 79 - HN LEU 80 16.667% * 49.3011% (0.17 4.47 15.89) = 49.301% kept HG3 GLU- 25 - HN ALA 34 16.667% * 26.9906% (0.95 0.45 0.02) = 26.991% kept HB2 GLU- 79 - HN ALA 34 16.667% * 20.9250% (0.20 1.69 3.53) = 20.925% kept HG3 GLU- 25 - HN LEU 80 16.667% * 1.0645% (0.84 0.02 0.02) = 1.064% kept HG2 PRO 52 - HN ALA 34 16.667% * 0.9103% (0.72 0.02 0.02) = 0.910% HG2 PRO 52 - HN LEU 80 16.667% * 0.8085% (0.64 0.02 0.02) = 0.809% Peak 1307 (2.14, 8.08, 121.56 ppm): 8 chemical-shift based assignments, quality = 0.624, support = 3.28, residual support = 8.48: HB3 GLU- 79 - HN LEU 80 12.500% * 46.0519% (0.64 4.63 15.89) = 46.052% kept HB3 GLU- 79 - HN ALA 34 12.500% * 30.5519% (0.72 2.73 3.53) = 30.552% kept QB GLU- 36 - HN ALA 34 12.500% * 12.9972% (0.60 1.39 0.12) = 12.997% kept HB3 GLU- 29 - HN ALA 34 12.500% * 6.0079% (0.20 1.97 1.17) = 6.008% kept QB GLU- 36 - HN LEU 80 12.500% * 2.8810% (0.54 0.35 0.02) = 2.881% kept HB3 GLU- 29 - HN LEU 80 12.500% * 1.3949% (0.17 0.51 0.02) = 1.395% kept HG3 GLU- 100 - HN ALA 34 12.500% * 0.0611% (0.20 0.02 0.02) = 0.061% HG3 GLU- 100 - HN LEU 80 12.500% * 0.0543% (0.17 0.02 0.02) = 0.054% Peak 1308 (0.43, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 0.408, residual support = 0.188: QD1 LEU 115 - HN ALA 34 25.000% * 48.6774% (0.83 0.44 0.29) = 48.677% kept QD1 LEU 115 - HN LEU 80 25.000% * 43.0335% (0.74 0.44 0.11) = 43.034% kept QG1 VAL 75 - HN LEU 80 25.000% * 6.8344% (0.48 0.11 0.02) = 6.834% kept QG1 VAL 75 - HN ALA 34 25.000% * 1.4547% (0.54 0.02 0.02) = 1.455% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 1309 (0.57, 8.08, 121.56 ppm): 10 chemical-shift based assignments, quality = 0.456, support = 2.05, residual support = 12.9: QD2 LEU 80 - HN LEU 80 10.000% * 24.3679% (0.15 5.45 51.41) = 24.368% kept QD1 LEU 63 - HN LEU 80 10.000% * 23.3537% (0.59 1.29 0.65) = 23.354% kept QD2 LEU 63 - HN LEU 80 10.000% * 22.0331% (0.69 1.04 0.65) = 22.033% kept QD1 LEU 73 - HN LEU 80 10.000% * 10.7027% (0.59 0.59 0.11) = 10.703% kept QD2 LEU 63 - HN ALA 34 10.000% * 5.7575% (0.78 0.24 0.02) = 5.758% kept QD2 LEU 80 - HN ALA 34 10.000% * 5.6729% (0.16 1.13 0.11) = 5.673% kept QD2 LEU 115 - HN ALA 34 10.000% * 4.5396% (0.20 0.75 0.29) = 4.540% kept QD2 LEU 115 - HN LEU 80 10.000% * 2.7567% (0.17 0.51 0.11) = 2.757% kept QD1 LEU 63 - HN ALA 34 10.000% * 0.4080% (0.66 0.02 0.02) = 0.408% QD1 LEU 73 - HN ALA 34 10.000% * 0.4080% (0.66 0.02 0.02) = 0.408% Peak 1310 (0.82, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 0.0677, residual support = 0.02: QD2 LEU 123 - HN ALA 34 25.000% * 77.2876% (0.99 0.08 0.02) = 77.288% kept QD2 LEU 123 - HN LEU 80 25.000% * 16.8066% (0.88 0.02 0.02) = 16.807% kept HG3 LYS+ 121 - HN ALA 34 25.000% * 3.1277% (0.16 0.02 0.02) = 3.128% kept HG3 LYS+ 121 - HN LEU 80 25.000% * 2.7781% (0.15 0.02 0.02) = 2.778% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1311 (1.87, 8.09, 121.65 ppm): 20 chemical-shift based assignments, quality = 0.724, support = 3.58, residual support = 12.3: QB LYS+ 81 - HN LEU 80 5.000% * 39.3976% (0.88 3.92 14.17) = 39.398% kept QB LYS+ 33 - HN ALA 34 5.000% * 33.3400% (0.58 5.04 19.04) = 33.340% kept QB LYS+ 33 - HN LEU 80 5.000% * 15.5989% (0.78 1.75 1.16) = 15.599% kept QB LYS+ 81 - HN ALA 34 5.000% * 7.5607% (0.65 1.01 2.21) = 7.561% kept HB3 GLN 90 - HN ALA 34 5.000% * 2.3545% (0.63 0.33 0.02) = 2.354% kept QB LYS+ 106 - HN LEU 80 5.000% * 0.2021% (0.88 0.02 0.02) = 0.202% HB3 GLN 90 - HN LEU 80 5.000% * 0.1932% (0.84 0.02 0.02) = 0.193% QB LYS+ 106 - HN ALA 34 5.000% * 0.1500% (0.65 0.02 0.02) = 0.150% HB3 ASP- 105 - HN LEU 80 5.000% * 0.1468% (0.64 0.02 0.02) = 0.147% HG2 ARG+ 54 - HN LEU 80 5.000% * 0.1348% (0.59 0.02 0.02) = 0.135% HB ILE 103 - HN LEU 80 5.000% * 0.1226% (0.54 0.02 0.02) = 0.123% HB ILE 56 - HN LEU 80 5.000% * 0.1104% (0.48 0.02 0.02) = 0.110% HG3 PRO 68 - HN LEU 80 5.000% * 0.1104% (0.48 0.02 0.02) = 0.110% HB3 ASP- 105 - HN ALA 34 5.000% * 0.1089% (0.48 0.02 0.02) = 0.109% HG2 ARG+ 54 - HN ALA 34 5.000% * 0.1000% (0.44 0.02 0.02) = 0.100% HB ILE 103 - HN ALA 34 5.000% * 0.0910% (0.40 0.02 0.02) = 0.091% HG3 PRO 68 - HN ALA 34 5.000% * 0.0819% (0.36 0.02 0.02) = 0.082% HB ILE 56 - HN ALA 34 5.000% * 0.0819% (0.36 0.02 0.02) = 0.082% HB3 LYS+ 38 - HN LEU 80 5.000% * 0.0656% (0.29 0.02 0.02) = 0.066% HB3 LYS+ 38 - HN ALA 34 5.000% * 0.0487% (0.21 0.02 0.02) = 0.049% Peak 1312 (1.29, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.484, support = 0.24, residual support = 0.0921: QG2 THR 77 - HN LEU 80 25.000% * 66.2363% (0.54 0.29 0.12) = 66.236% kept QG2 THR 77 - HN ALA 34 25.000% * 28.7926% (0.40 0.17 0.02) = 28.793% kept QG2 THR 23 - HN LEU 80 25.000% * 2.8538% (0.33 0.02 0.15) = 2.854% kept QG2 THR 23 - HN ALA 34 25.000% * 2.1173% (0.25 0.02 0.02) = 2.117% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1313 (1.43, 8.09, 121.65 ppm): 16 chemical-shift based assignments, quality = 0.535, support = 3.67, residual support = 35.5: HG LEU 80 - HN LEU 80 6.250% * 69.0373% (0.54 5.03 51.41) = 69.037% kept QG LYS+ 66 - HN LEU 80 6.250% * 11.3786% (0.81 0.54 0.02) = 11.379% kept HG LEU 80 - HN ALA 34 6.250% * 10.9399% (0.40 1.07 0.11) = 10.940% kept HG LEU 73 - HN LEU 80 6.250% * 4.2668% (0.59 0.28 0.11) = 4.267% kept HG12 ILE 19 - HN ALA 34 6.250% * 1.3543% (0.28 0.19 0.02) = 1.354% kept HB3 LEU 67 - HN LEU 80 6.250% * 0.4504% (0.88 0.02 0.02) = 0.450% QB ALA 61 - HN LEU 80 6.250% * 0.3994% (0.78 0.02 0.02) = 0.399% HB3 LEU 67 - HN ALA 34 6.250% * 0.3341% (0.65 0.02 0.02) = 0.334% QG LYS+ 66 - HN ALA 34 6.250% * 0.3100% (0.60 0.02 0.02) = 0.310% QB ALA 61 - HN ALA 34 6.250% * 0.2964% (0.58 0.02 0.02) = 0.296% QB ALA 110 - HN LEU 80 6.250% * 0.2472% (0.48 0.02 0.02) = 0.247% HG LEU 73 - HN ALA 34 6.250% * 0.2240% (0.44 0.02 0.02) = 0.224% HG2 LYS+ 102 - HN LEU 80 6.250% * 0.2203% (0.43 0.02 0.02) = 0.220% HG12 ILE 19 - HN LEU 80 6.250% * 0.1944% (0.38 0.02 0.02) = 0.194% QB ALA 110 - HN ALA 34 6.250% * 0.1834% (0.36 0.02 0.02) = 0.183% HG2 LYS+ 102 - HN ALA 34 6.250% * 0.1635% (0.32 0.02 0.02) = 0.163% Peak 1314 (0.76, 8.09, 121.65 ppm): 12 chemical-shift based assignments, quality = 0.358, support = 1.78, residual support = 4.72: HG LEU 31 - HN ALA 34 8.333% * 36.9532% (0.25 3.19 9.42) = 36.953% kept QG1 VAL 41 - HN ALA 34 8.333% * 23.0419% (0.65 0.75 2.00) = 23.042% kept HG LEU 31 - HN LEU 80 8.333% * 22.8606% (0.33 1.46 3.34) = 22.861% kept QG2 VAL 18 - HN ALA 34 8.333% * 11.2719% (0.32 0.75 0.12) = 11.272% kept QD2 LEU 73 - HN LEU 80 8.333% * 2.8351% (0.17 0.34 0.11) = 2.835% kept QG1 VAL 41 - HN LEU 80 8.333% * 0.8282% (0.88 0.02 0.25) = 0.828% QG1 VAL 43 - HN LEU 80 8.333% * 0.6952% (0.74 0.02 0.02) = 0.695% QG1 VAL 43 - HN ALA 34 8.333% * 0.5158% (0.55 0.02 0.02) = 0.516% QG2 VAL 18 - HN LEU 80 8.333% * 0.4051% (0.43 0.02 0.02) = 0.405% QG2 THR 46 - HN LEU 80 8.333% * 0.2702% (0.29 0.02 0.02) = 0.270% QG2 THR 46 - HN ALA 34 8.333% * 0.2005% (0.21 0.02 0.02) = 0.200% QD2 LEU 73 - HN ALA 34 8.333% * 0.1222% (0.13 0.02 0.02) = 0.122% Peak 1315 (0.59, 8.09, 121.65 ppm): 12 chemical-shift based assignments, quality = 0.687, support = 3.4, residual support = 28.1: QD2 LEU 80 - HN LEU 80 8.333% * 54.3319% (0.69 5.45 51.41) = 54.332% kept QD1 LEU 63 - HN LEU 80 8.333% * 15.6833% (0.84 1.29 0.65) = 15.683% kept QD2 LEU 80 - HN ALA 34 8.333% * 8.3355% (0.51 1.13 0.11) = 8.336% kept QD1 LEU 73 - HN LEU 80 8.333% * 7.1875% (0.84 0.59 0.11) = 7.187% kept QD2 LEU 115 - HN ALA 34 8.333% * 5.9160% (0.55 0.75 0.29) = 5.916% kept QD2 LEU 115 - HN LEU 80 8.333% * 5.4513% (0.74 0.51 0.11) = 5.451% kept QD2 LEU 63 - HN LEU 80 8.333% * 2.1693% (0.15 1.04 0.65) = 2.169% kept QD2 LEU 63 - HN ALA 34 8.333% * 0.3736% (0.11 0.24 0.02) = 0.374% QD1 LEU 63 - HN ALA 34 8.333% * 0.1806% (0.63 0.02 0.02) = 0.181% QD1 LEU 73 - HN ALA 34 8.333% * 0.1806% (0.63 0.02 0.02) = 0.181% QD1 LEU 104 - HN LEU 80 8.333% * 0.1094% (0.38 0.02 0.02) = 0.109% QD1 LEU 104 - HN ALA 34 8.333% * 0.0811% (0.28 0.02 0.02) = 0.081% Peak 1316 (0.46, 8.09, 121.65 ppm): 2 chemical-shift based assignments, quality = 0.169, support = 0.0952, residual support = 0.02: QG1 VAL 75 - HN LEU 80 50.000% * 87.6986% (0.17 0.11 0.02) = 87.699% kept QG1 VAL 75 - HN ALA 34 50.000% * 12.3014% (0.13 0.02 0.02) = 12.301% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1317 (4.12, 8.09, 121.65 ppm): 14 chemical-shift based assignments, quality = 0.447, support = 2.51, residual support = 12.1: O HA ALA 34 - HN ALA 34 7.143% * 75.3922% (0.40 10.0 3.08 16.01) = 75.392% kept HA LEU 115 - HN LEU 80 7.143% * 5.4739% (0.74 1.0 0.78 0.11) = 5.474% kept HA LEU 115 - HN ALA 34 7.143% * 5.4399% (0.55 1.0 1.05 0.29) = 5.440% kept HA ASN 28 - HN ALA 34 7.143% * 4.3700% (0.58 1.0 0.80 0.02) = 4.370% kept HA ALA 34 - HN LEU 80 7.143% * 4.1880% (0.54 1.0 0.82 0.11) = 4.188% kept HA ASN 28 - HN LEU 80 7.143% * 3.7986% (0.78 1.0 0.51 0.52) = 3.799% kept HA ALA 124 - HN ALA 34 7.143% * 0.6515% (0.32 1.0 0.22 0.02) = 0.652% HA ALA 124 - HN LEU 80 7.143% * 0.3484% (0.43 1.0 0.09 0.02) = 0.348% HA ARG+ 54 - HN LEU 80 7.143% * 0.1117% (0.59 1.0 0.02 0.02) = 0.112% HA ARG+ 54 - HN ALA 34 7.143% * 0.0829% (0.44 1.0 0.02 0.02) = 0.083% HA1 GLY 101 - HN LEU 80 7.143% * 0.0544% (0.29 1.0 0.02 0.02) = 0.054% HA1 GLY 101 - HN ALA 34 7.143% * 0.0404% (0.21 1.0 0.02 0.02) = 0.040% HA GLU- 114 - HN LEU 80 7.143% * 0.0276% (0.15 1.0 0.02 0.02) = 0.028% HA GLU- 114 - HN ALA 34 7.143% * 0.0204% (0.11 1.0 0.02 0.02) = 0.020% Peak 1318 (3.60, 8.09, 121.65 ppm): 2 chemical-shift based assignments, quality = 0.416, support = 2.66, residual support = 6.57: HA LEU 31 - HN ALA 34 50.000% * 53.1196% (0.36 3.18 9.42) = 53.120% kept HA LEU 31 - HN LEU 80 50.000% * 46.8804% (0.48 2.08 3.34) = 46.880% kept Peak 1319 (2.91, 8.09, 121.65 ppm): 12 chemical-shift based assignments, quality = 0.538, support = 2.87, residual support = 6.8: HB2 ASP- 78 - HN LEU 80 8.333% * 30.5909% (0.84 2.44 3.09) = 30.591% kept QE LYS+ 33 - HN ALA 34 8.333% * 28.6958% (0.36 5.40 19.04) = 28.696% kept HB2 ASP- 78 - HN ALA 34 8.333% * 17.0074% (0.63 1.83 1.76) = 17.007% kept HB2 ASN 28 - HN ALA 34 8.333% * 6.0181% (0.25 1.65 0.02) = 6.018% kept HB2 ASP- 76 - HN LEU 80 8.333% * 5.7631% (0.29 1.35 0.18) = 5.763% kept QE LYS+ 33 - HN LEU 80 8.333% * 5.6723% (0.48 0.79 1.16) = 5.672% kept HB2 ASN 69 - HN LEU 80 8.333% * 2.2214% (0.17 0.86 0.02) = 2.221% kept HB2 ASN 28 - HN LEU 80 8.333% * 2.0917% (0.33 0.42 0.52) = 2.092% kept QE LYS+ 65 - HN ALA 34 8.333% * 1.4269% (0.13 0.74 0.02) = 1.427% kept HB2 ASP- 76 - HN ALA 34 8.333% * 0.4220% (0.21 0.13 0.02) = 0.422% QE LYS+ 65 - HN LEU 80 8.333% * 0.0519% (0.17 0.02 0.02) = 0.052% HB2 ASN 69 - HN ALA 34 8.333% * 0.0385% (0.13 0.02 0.02) = 0.039% Peak 1320 (2.33, 8.09, 121.65 ppm): 6 chemical-shift based assignments, quality = 0.269, support = 3.02, residual support = 9.99: HB2 GLU- 79 - HN LEU 80 16.667% * 59.1491% (0.17 4.47 15.89) = 59.149% kept HG3 GLU- 25 - HN ALA 34 16.667% * 21.3399% (0.63 0.45 0.02) = 21.340% kept HB2 GLU- 79 - HN ALA 34 16.667% * 16.5442% (0.13 1.69 3.53) = 16.544% kept HG3 GLU- 25 - HN LEU 80 16.667% * 1.2771% (0.84 0.02 0.02) = 1.277% kept HG2 PRO 52 - HN LEU 80 16.667% * 0.9700% (0.64 0.02 0.02) = 0.970% HG2 PRO 52 - HN ALA 34 16.667% * 0.7197% (0.48 0.02 0.02) = 0.720% Peak 1321 (4.01, 8.09, 121.65 ppm): 14 chemical-shift based assignments, quality = 0.649, support = 4.61, residual support = 13.4: O HA LYS+ 33 - HN ALA 34 7.143% * 69.4490% (0.65 10.0 5.87 19.04) = 69.449% kept HA GLU- 29 - HN ALA 34 7.143% * 9.7509% (0.60 1.0 3.04 1.17) = 9.751% kept HA LYS+ 33 - HN LEU 80 7.143% * 5.9549% (0.88 1.0 1.27 1.16) = 5.955% kept HB2 SER 82 - HN ALA 34 7.143% * 5.4120% (0.51 1.0 1.99 0.59) = 5.412% kept HA VAL 18 - HN ALA 34 7.143% * 3.0258% (0.58 1.0 0.99 0.12) = 3.026% kept HA GLU- 29 - HN LEU 80 7.143% * 2.2201% (0.81 1.0 0.51 0.02) = 2.220% kept HB2 SER 82 - HN LEU 80 7.143% * 1.9078% (0.69 1.0 0.52 0.02) = 1.908% kept HA GLN 116 - HN LEU 80 7.143% * 1.0640% (0.64 1.0 0.31 0.02) = 1.064% kept HA GLN 116 - HN ALA 34 7.143% * 0.9760% (0.48 1.0 0.39 0.02) = 0.976% HA VAL 18 - HN LEU 80 7.143% * 0.0826% (0.78 1.0 0.02 0.02) = 0.083% HA VAL 70 - HN LEU 80 7.143% * 0.0680% (0.64 1.0 0.02 0.02) = 0.068% HA VAL 70 - HN ALA 34 7.143% * 0.0504% (0.48 1.0 0.02 0.02) = 0.050% HA SER 48 - HN LEU 80 7.143% * 0.0221% (0.21 1.0 0.02 0.02) = 0.022% HA SER 48 - HN ALA 34 7.143% * 0.0164% (0.15 1.0 0.02 0.02) = 0.016% Peak 1322 (8.28, 8.08, 121.56 ppm): 4 chemical-shift based assignments, quality = 0.409, support = 0.369, residual support = 0.577: HN VAL 18 - HN ALA 34 25.000% * 51.7807% (0.48 0.34 0.12) = 51.781% kept HN GLU- 29 - HN ALA 34 25.000% * 43.7549% (0.32 0.44 1.17) = 43.755% kept HN VAL 18 - HN LEU 80 25.000% * 2.6782% (0.43 0.02 0.02) = 2.678% kept HN GLU- 29 - HN LEU 80 25.000% * 1.7863% (0.29 0.02 0.02) = 1.786% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1323 (8.28, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.326, support = 0.35, residual support = 0.438: HN VAL 18 - HN ALA 34 25.000% * 62.4448% (0.40 0.34 0.12) = 62.445% kept HN GLU- 29 - HN ALA 34 25.000% * 30.7494% (0.15 0.44 1.17) = 30.749% kept HN VAL 18 - HN LEU 80 25.000% * 4.9009% (0.54 0.02 0.02) = 4.901% kept HN GLU- 29 - HN LEU 80 25.000% * 1.9049% (0.21 0.02 0.02) = 1.905% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 1325 (8.38, 8.09, 121.65 ppm): 4 chemical-shift based assignments, quality = 0.326, support = 3.35, residual support = 10.2: T HN ASN 35 - HN ALA 34 25.000% * 74.1770% (0.28 10.00 4.34 13.65) = 74.177% kept T HN ASN 35 - HN LEU 80 25.000% * 18.0977% (0.38 10.00 0.36 0.02) = 18.098% kept HN ALA 12 - HN ALA 34 25.000% * 7.4938% (0.65 1.00 0.87 0.82) = 7.494% kept HN ALA 12 - HN LEU 80 25.000% * 0.2316% (0.88 1.00 0.02 0.02) = 0.232% Peak 1326 (7.29, 8.09, 121.65 ppm): 6 chemical-shift based assignments, quality = 0.794, support = 3.35, residual support = 10.6: HN LYS+ 81 - HN LEU 80 16.667% * 69.9203% (0.87 3.86 14.17) = 69.920% kept HN LYS+ 81 - HN ALA 34 16.667% * 29.4888% (0.64 2.19 2.21) = 29.489% kept QD PHE 60 - HN LEU 80 16.667% * 0.2892% (0.69 0.02 0.02) = 0.289% QD PHE 60 - HN ALA 34 16.667% * 0.2146% (0.51 0.02 0.02) = 0.215% HN LYS+ 66 - HN LEU 80 16.667% * 0.0500% (0.12 0.02 0.02) = 0.050% HN LYS+ 66 - HN ALA 34 16.667% * 0.0371% (0.09 0.02 0.02) = 0.037% Peaks: selected : 1103 with diagonal assignment : 129 without assignment possibility : 9 with one assignment possibility : 92 with multiple assignment possibilities : 873 with given assignment possibilities : 0 with unique volume contribution : 288 with multiple volume contributions : 677 eliminated by violation filter : 0 Peaks: selected : 1103 without assignment : 130 with assignment : 973 with unique assignment : 393 with multiple assignment : 580 with reference assignment : 129 with identical reference assignment : 114 with compatible reference assignment : 15 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 844 Atoms with eliminated volume contribution > 2.5: HN ALA 34 4.0 HN LEU 40 3.0 HN ASP- 44 4.0 HA PHE 45 3.9 HN THR 46 3.0 HN ASP- 62 3.2 HN ASN 69 3.0 HN LEU 73 3.0 HN LYS+ 74 4.0 HN LEU 80 3.0 HN MET 96 3.0 HN LYS+ 102 2.5 HN SER 117 2.9 HN HIS 122 3.0 Peak 1 (4.29, 4.29, 56.56 ppm): 1 diagonal assignment: * HA MET 11 - HA MET 11 (1.00) kept Peak 4 (2.08, 4.29, 56.56 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.99, residual support = 31.7: * O T HG2 MET 11 - HA MET 11 25.000% * 76.3261% (1.00 10.0 10.00 3.74 41.52) = 76.326% kept T HB2 GLU- 14 - HA MET 11 25.000% * 22.5023% (1.00 1.0 10.00 0.59 0.15) = 22.502% kept HG2 PRO 58 - HA MET 11 25.000% * 1.0986% (0.96 1.0 1.00 0.30 0.02) = 1.099% kept HG3 PRO 52 - HA MET 11 25.000% * 0.0730% (0.96 1.0 1.00 0.02 0.02) = 0.073% Peak 5 (1.92, 4.29, 56.56 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 3.54, residual support = 37.3: * O T HG3 MET 11 - HA MET 11 25.000% * 89.8741% (1.00 10.0 10.00 3.91 41.52) = 89.874% kept T HB3 GLU- 14 - HA MET 11 25.000% * 10.0725% (0.88 1.0 10.00 0.25 0.15) = 10.072% kept HB3 MET 96 - HA MET 11 25.000% * 0.0386% (0.43 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 58 - HA MET 11 25.000% * 0.0148% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 6 (4.29, 2.08, 30.22 ppm): 18 chemical-shift based assignments, quality = 0.909, support = 3.38, residual support = 36.3: * O T HA MET 11 - HG2 MET 11 5.556% * 86.6701% (1.00 10.0 10.00 3.74 41.52) = 86.670% kept T HA MET 11 - HB2 GLU- 14 5.556% * 9.5899% (0.37 1.0 10.00 0.59 0.15) = 9.590% kept HA ALA 12 - HG2 MET 11 5.556% * 2.8570% (0.24 1.0 1.00 2.80 9.56) = 2.857% kept HA ALA 12 - HB2 GLU- 14 5.556% * 0.3573% (0.09 1.0 1.00 0.94 0.02) = 0.357% HA ASP- 44 - HG2 MET 11 5.556% * 0.0862% (1.00 1.0 1.00 0.02 0.02) = 0.086% HB THR 77 - HG2 MET 11 5.556% * 0.0829% (0.96 1.0 1.00 0.02 0.02) = 0.083% HA SER 85 - HG2 MET 11 5.556% * 0.0829% (0.96 1.0 1.00 0.02 0.02) = 0.083% HA ILE 103 - HG2 MET 11 5.556% * 0.0724% (0.84 1.0 1.00 0.02 0.02) = 0.072% HA ASP- 44 - HB2 GLU- 14 5.556% * 0.0322% (0.37 1.0 1.00 0.02 0.02) = 0.032% HA SER 85 - HB2 GLU- 14 5.556% * 0.0309% (0.36 1.0 1.00 0.02 0.02) = 0.031% HB THR 77 - HB2 GLU- 14 5.556% * 0.0309% (0.36 1.0 1.00 0.02 0.02) = 0.031% HA ILE 103 - HB2 GLU- 14 5.556% * 0.0270% (0.31 1.0 1.00 0.02 0.02) = 0.027% HA GLU- 79 - HG2 MET 11 5.556% * 0.0241% (0.28 1.0 1.00 0.02 0.02) = 0.024% HA ASP- 86 - HG2 MET 11 5.556% * 0.0172% (0.20 1.0 1.00 0.02 0.02) = 0.017% HA THR 39 - HG2 MET 11 5.556% * 0.0172% (0.20 1.0 1.00 0.02 0.02) = 0.017% HA GLU- 79 - HB2 GLU- 14 5.556% * 0.0090% (0.10 1.0 1.00 0.02 0.02) = 0.009% HA THR 39 - HB2 GLU- 14 5.556% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 86 - HB2 GLU- 14 5.556% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 7 (2.29, 2.08, 30.22 ppm): 10 chemical-shift based assignments, quality = 0.794, support = 2.74, residual support = 34.1: * O T QB MET 11 - HG2 MET 11 10.000% * 74.4412% (1.00 10.0 10.00 3.09 41.52) = 74.441% kept T QG GLU- 15 - HB2 GLU- 14 10.000% * 11.8382% (0.18 1.0 10.00 1.75 2.66) = 11.838% kept O T QG GLU- 14 - HB2 GLU- 14 10.000% * 7.7292% (0.10 10.0 10.00 2.82 36.96) = 7.729% kept T QB MET 11 - HB2 GLU- 14 10.000% * 5.3686% (0.37 1.0 10.00 0.39 0.15) = 5.369% kept T QG GLU- 15 - HG2 MET 11 10.000% * 0.3623% (0.49 1.0 10.00 0.02 0.02) = 0.362% T QG GLU- 14 - HG2 MET 11 10.000% * 0.2070% (0.28 1.0 10.00 0.02 0.15) = 0.207% HB2 ASP- 44 - HG2 MET 11 10.000% * 0.0242% (0.32 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 72 - HG2 MET 11 10.000% * 0.0147% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 ASP- 44 - HB2 GLU- 14 10.000% * 0.0090% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB3 PHE 72 - HB2 GLU- 14 10.000% * 0.0055% (0.07 1.0 1.00 0.02 0.02) = 0.006% 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): 8 chemical-shift based assignments, quality = 0.805, support = 3.05, residual support = 35.3: * O T HG3 MET 11 - HG2 MET 11 12.500% * 65.6228% (1.00 10.0 10.00 3.59 41.52) = 65.623% kept O T HB3 GLU- 14 - HB2 GLU- 14 12.500% * 21.6266% (0.33 10.0 10.00 3.00 36.96) = 21.627% kept T HG3 MET 11 - HB2 GLU- 14 12.500% * 6.6340% (0.37 1.0 10.00 0.54 0.15) = 6.634% kept T HB3 GLU- 14 - HG2 MET 11 12.500% * 5.9297% (0.88 1.0 10.00 0.20 0.15) = 5.930% kept T HB3 PRO 58 - HG2 MET 11 12.500% * 0.1079% (0.16 1.0 10.00 0.02 0.02) = 0.108% T HB3 PRO 58 - HB2 GLU- 14 12.500% * 0.0403% (0.06 1.0 10.00 0.02 0.02) = 0.040% HB3 MET 96 - HG2 MET 11 12.500% * 0.0282% (0.43 1.0 1.00 0.02 0.02) = 0.028% HB3 MET 96 - HB2 GLU- 14 12.500% * 0.0105% (0.16 1.0 1.00 0.02 0.02) = 0.011% Peak 11 (4.29, 1.92, 30.22 ppm): 18 chemical-shift based assignments, quality = 0.945, support = 3.71, residual support = 38.7: * O T HA MET 11 - HG3 MET 11 5.556% * 92.4370% (1.00 10.0 10.00 3.91 41.52) = 92.437% kept T HA MET 11 - HB3 GLU- 14 5.556% * 3.8881% (0.33 1.0 10.00 0.25 0.15) = 3.888% kept HA ALA 12 - HG3 MET 11 5.556% * 3.1243% (0.24 1.0 1.00 2.87 9.56) = 3.124% kept HA ASP- 44 - HG3 MET 11 5.556% * 0.0920% (1.00 1.0 1.00 0.02 0.02) = 0.092% HB THR 77 - HG3 MET 11 5.556% * 0.0884% (0.96 1.0 1.00 0.02 0.02) = 0.088% HA SER 85 - HG3 MET 11 5.556% * 0.0884% (0.96 1.0 1.00 0.02 0.02) = 0.088% HA ILE 103 - HG3 MET 11 5.556% * 0.0772% (0.84 1.0 1.00 0.02 0.02) = 0.077% HA ASP- 44 - HB3 GLU- 14 5.556% * 0.0305% (0.33 1.0 1.00 0.02 0.02) = 0.030% HA SER 85 - HB3 GLU- 14 5.556% * 0.0293% (0.32 1.0 1.00 0.02 0.02) = 0.029% HB THR 77 - HB3 GLU- 14 5.556% * 0.0293% (0.32 1.0 1.00 0.02 0.02) = 0.029% HA GLU- 79 - HG3 MET 11 5.556% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA ILE 103 - HB3 GLU- 14 5.556% * 0.0256% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA ASP- 86 - HG3 MET 11 5.556% * 0.0183% (0.20 1.0 1.00 0.02 0.02) = 0.018% HA THR 39 - HG3 MET 11 5.556% * 0.0183% (0.20 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 79 - HB3 GLU- 14 5.556% * 0.0085% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA ALA 12 - HB3 GLU- 14 5.556% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA THR 39 - HB3 GLU- 14 5.556% * 0.0061% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA ASP- 86 - HB3 GLU- 14 5.556% * 0.0061% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 12 (2.29, 1.92, 30.22 ppm): 10 chemical-shift based assignments, quality = 0.813, support = 2.92, residual support = 35.2: * O T QB MET 11 - HG3 MET 11 10.000% * 77.7063% (1.00 10.0 10.00 3.21 41.52) = 77.706% kept T QG GLU- 15 - HB3 GLU- 14 10.000% * 11.2210% (0.16 1.0 10.00 1.79 2.66) = 11.221% kept O T QG GLU- 14 - HB3 GLU- 14 10.000% * 7.1559% (0.09 10.0 10.00 3.00 36.96) = 7.156% kept T QB MET 11 - HB3 GLU- 14 10.000% * 3.2685% (0.33 1.0 10.00 0.25 0.15) = 3.269% kept T QG GLU- 15 - HG3 MET 11 10.000% * 0.3782% (0.49 1.0 10.00 0.02 0.02) = 0.378% T QG GLU- 14 - HG3 MET 11 10.000% * 0.2161% (0.28 1.0 10.00 0.02 0.15) = 0.216% HB2 ASP- 44 - HG3 MET 11 10.000% * 0.0252% (0.32 1.0 1.00 0.02 0.02) = 0.025% HB3 PHE 72 - HG3 MET 11 10.000% * 0.0154% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB2 ASP- 44 - HB3 GLU- 14 10.000% * 0.0084% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB3 PHE 72 - HB3 GLU- 14 10.000% * 0.0051% (0.07 1.0 1.00 0.02 0.02) = 0.005% Peak 14 (2.08, 1.92, 30.22 ppm): 8 chemical-shift based assignments, quality = 0.851, support = 2.92, residual support = 33.2: * O T HG2 MET 11 - HG3 MET 11 12.500% * 61.8484% (1.00 10.0 10.00 3.59 41.52) = 61.848% kept O T HB2 GLU- 14 - HB3 GLU- 14 12.500% * 20.3827% (0.33 10.0 10.00 3.00 36.96) = 20.383% kept T HB2 GLU- 14 - HG3 MET 11 12.500% * 16.6594% (1.00 1.0 10.00 0.54 0.15) = 16.659% kept HG2 PRO 58 - HG3 MET 11 12.500% * 0.8064% (0.96 1.0 1.00 0.27 0.02) = 0.806% T HG2 MET 11 - HB3 GLU- 14 12.500% * 0.2048% (0.33 1.0 10.00 0.02 0.15) = 0.205% HG3 PRO 52 - HG3 MET 11 12.500% * 0.0591% (0.96 1.0 1.00 0.02 0.02) = 0.059% HG2 PRO 58 - HB3 GLU- 14 12.500% * 0.0196% (0.32 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 52 - HB3 GLU- 14 12.500% * 0.0196% (0.32 1.0 1.00 0.02 0.02) = 0.020% 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 (0.29) kept Peak 16 (4.29, 2.29, 36.10 ppm): 27 chemical-shift based assignments, quality = 0.963, support = 3.24, residual support = 40.0: * O HA MET 11 - QB MET 11 3.704% * 95.6682% (1.00 10.0 1.00 3.33 41.52) = 95.668% kept HA ALA 12 - QB MET 11 3.704% * 2.5651% (0.24 1.0 1.00 2.27 9.56) = 2.565% kept T HA ASP- 44 - QB MET 11 3.704% * 0.9519% (1.00 1.0 10.00 0.02 0.02) = 0.952% T HA ASP- 44 - QG GLU- 15 3.704% * 0.1538% (0.16 1.0 10.00 0.02 0.02) = 0.154% T HA ASP- 44 - QG GLU- 14 3.704% * 0.1517% (0.16 1.0 10.00 0.02 0.02) = 0.152% HB THR 77 - QB MET 11 3.704% * 0.0915% (0.96 1.0 1.00 0.02 0.02) = 0.091% HA SER 85 - QB MET 11 3.704% * 0.0915% (0.96 1.0 1.00 0.02 0.02) = 0.091% HA ILE 103 - QB MET 11 3.704% * 0.0799% (0.84 1.0 1.00 0.02 0.02) = 0.080% HA ALA 12 - QG GLU- 14 3.704% * 0.0426% (0.04 1.0 1.00 0.24 0.02) = 0.043% HA GLU- 79 - QB MET 11 3.704% * 0.0266% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA THR 39 - QB MET 11 3.704% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA ASP- 86 - QB MET 11 3.704% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA MET 11 - QG GLU- 15 3.704% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA MET 11 - QG GLU- 14 3.704% * 0.0152% (0.16 1.0 1.00 0.02 0.15) = 0.015% HB THR 77 - QG GLU- 15 3.704% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA SER 85 - QG GLU- 15 3.704% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA SER 85 - QG GLU- 14 3.704% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB THR 77 - QG GLU- 14 3.704% * 0.0146% (0.15 1.0 1.00 0.02 0.02) = 0.015% HA ILE 103 - QG GLU- 15 3.704% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA ILE 103 - QG GLU- 14 3.704% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA GLU- 79 - QG GLU- 15 3.704% * 0.0043% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 79 - QG GLU- 14 3.704% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ALA 12 - QG GLU- 15 3.704% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ASP- 86 - QG GLU- 15 3.704% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA THR 39 - QG GLU- 15 3.704% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA THR 39 - QG GLU- 14 3.704% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA ASP- 86 - QG GLU- 14 3.704% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 17 (2.29, 2.29, 36.10 ppm): 3 diagonal assignments: * QB MET 11 - QB MET 11 (1.00) kept QG GLU- 15 - QG GLU- 15 (0.08) kept QG GLU- 14 - QG GLU- 14 (0.04) kept Peak 19 (2.08, 2.29, 36.10 ppm): 12 chemical-shift based assignments, quality = 0.823, support = 2.52, residual support = 31.0: * O T HG2 MET 11 - QB MET 11 8.333% * 64.9528% (1.00 10.0 10.00 3.09 41.52) = 64.953% kept T HB2 GLU- 14 - QB MET 11 8.333% * 12.4812% (1.00 1.0 10.00 0.39 0.15) = 12.481% kept O T HB2 GLU- 14 - QG GLU- 14 8.333% * 10.3000% (0.16 10.0 10.00 2.82 36.96) = 10.300% kept T HB2 GLU- 14 - QG GLU- 15 8.333% * 9.1374% (0.16 1.0 10.00 1.75 2.66) = 9.137% kept HG3 PRO 52 - QB MET 11 8.333% * 1.9453% (0.96 1.0 1.00 0.63 0.02) = 1.945% kept HG2 PRO 58 - QB MET 11 8.333% * 0.9349% (0.96 1.0 1.00 0.30 0.02) = 0.935% T HG2 MET 11 - QG GLU- 15 8.333% * 0.1050% (0.16 1.0 10.00 0.02 0.02) = 0.105% T HG2 MET 11 - QG GLU- 14 8.333% * 0.1035% (0.16 1.0 10.00 0.02 0.15) = 0.104% HG3 PRO 52 - QG GLU- 15 8.333% * 0.0100% (0.15 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 58 - QG GLU- 15 8.333% * 0.0100% (0.15 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 58 - QG GLU- 14 8.333% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% HG3 PRO 52 - QG GLU- 14 8.333% * 0.0099% (0.15 1.0 1.00 0.02 0.02) = 0.010% Peak 20 (1.92, 2.29, 36.10 ppm): 12 chemical-shift based assignments, quality = 0.821, support = 2.81, residual support = 34.0: * O T HG3 MET 11 - QB MET 11 8.333% * 72.2307% (1.00 10.0 10.00 3.21 41.52) = 72.231% kept O T HB3 GLU- 14 - QG GLU- 14 8.333% * 10.1589% (0.14 10.0 10.00 3.00 36.96) = 10.159% kept T HB3 GLU- 14 - QG GLU- 15 8.333% * 9.2267% (0.14 1.0 10.00 1.79 2.66) = 9.227% kept T HB3 GLU- 14 - QB MET 11 8.333% * 8.0951% (0.88 1.0 10.00 0.25 0.15) = 8.095% kept T HG3 MET 11 - QG GLU- 15 8.333% * 0.1167% (0.16 1.0 10.00 0.02 0.02) = 0.117% T HG3 MET 11 - QG GLU- 14 8.333% * 0.1151% (0.16 1.0 10.00 0.02 0.15) = 0.115% HB3 MET 96 - QB MET 11 8.333% * 0.0310% (0.43 1.0 1.00 0.02 0.02) = 0.031% HB3 PRO 58 - QB MET 11 8.333% * 0.0119% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB3 MET 96 - QG GLU- 15 8.333% * 0.0050% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 MET 96 - QG GLU- 14 8.333% * 0.0049% (0.07 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 58 - QG GLU- 15 8.333% * 0.0019% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 58 - QG GLU- 14 8.333% * 0.0019% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 26 (4.31, 4.31, 53.06 ppm): 1 diagonal assignment: * HA ALA 12 - HA ALA 12 (0.53) kept Peak 27 (1.39, 4.31, 53.06 ppm): 10 chemical-shift based assignments, quality = 0.628, support = 1.92, residual support = 11.6: * O T QB ALA 12 - HA ALA 12 10.000% * 96.5645% (0.64 10.0 10.00 1.96 11.97) = 96.565% kept QB LEU 98 - HA ALA 12 10.000% * 2.5866% (0.35 1.0 1.00 0.97 0.12) = 2.587% kept HB3 LEU 73 - HA ALA 12 10.000% * 0.4079% (0.48 1.0 1.00 0.11 0.02) = 0.408% HG3 LYS+ 33 - HA ALA 12 10.000% * 0.0966% (0.64 1.0 1.00 0.02 0.02) = 0.097% HG3 LYS+ 65 - HA ALA 12 10.000% * 0.0856% (0.57 1.0 1.00 0.02 0.02) = 0.086% HB VAL 42 - HA ALA 12 10.000% * 0.0856% (0.57 1.0 1.00 0.02 0.02) = 0.086% HG3 LYS+ 102 - HA ALA 12 10.000% * 0.0664% (0.44 1.0 1.00 0.02 0.02) = 0.066% HB2 LYS+ 112 - HA ALA 12 10.000% * 0.0533% (0.35 1.0 1.00 0.02 0.02) = 0.053% HG3 LYS+ 106 - HA ALA 12 10.000% * 0.0355% (0.24 1.0 1.00 0.02 0.02) = 0.036% HB3 LYS+ 74 - HA ALA 12 10.000% * 0.0180% (0.12 1.0 1.00 0.02 0.02) = 0.018% Peak 28 (4.31, 1.39, 19.22 ppm): 4 chemical-shift based assignments, quality = 0.639, support = 1.96, residual support = 11.9: * O T HA ALA 12 - QB ALA 12 25.000% * 99.6504% (0.64 10.0 10.00 1.96 11.97) = 99.650% kept HA LEU 104 - QB ALA 12 25.000% * 0.1211% (0.78 1.0 1.00 0.02 0.02) = 0.121% HA GLU- 14 - QB ALA 12 25.000% * 0.1211% (0.78 1.0 1.00 0.02 0.02) = 0.121% HA ASP- 86 - QB ALA 12 25.000% * 0.1074% (0.69 1.0 1.00 0.02 0.02) = 0.107% Peak 29 (1.39, 1.39, 19.22 ppm): 1 diagonal assignment: * QB ALA 12 - QB ALA 12 (0.78) 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 (0.13) kept HA SER 37 - HA SER 37 (0.07) kept Peak 31 (3.86, 4.41, 58.75 ppm): 18 chemical-shift based assignments, quality = 0.841, support = 1.86, residual support = 7.65: * O T QB SER 13 - HA SER 13 5.556% * 74.6981% (1.00 10.0 10.00 1.93 4.63) = 74.698% kept O T HB3 SER 37 - HA SER 37 5.556% * 17.2991% (0.23 10.0 10.00 2.31 24.23) = 17.299% kept T HB3 SER 37 - HA SER 13 5.556% * 6.1671% (0.88 1.0 10.00 0.19 0.02) = 6.167% kept HB THR 39 - HA SER 37 5.556% * 0.8124% (0.26 1.0 1.00 0.83 2.96) = 0.812% T QB SER 13 - HA THR 46 5.556% * 0.2623% (0.35 1.0 10.00 0.02 0.02) = 0.262% T HB3 SER 37 - HA THR 46 5.556% * 0.2315% (0.31 1.0 10.00 0.02 0.02) = 0.231% T QB SER 13 - HA SER 37 5.556% * 0.1960% (0.26 1.0 10.00 0.02 0.02) = 0.196% HB THR 39 - HA SER 13 5.556% * 0.0743% (1.00 1.0 1.00 0.02 0.02) = 0.074% HA ILE 89 - HA SER 13 5.556% * 0.0659% (0.88 1.0 1.00 0.02 0.02) = 0.066% HB3 SER 82 - HA SER 13 5.556% * 0.0542% (0.73 1.0 1.00 0.02 0.02) = 0.054% HB THR 39 - HA THR 46 5.556% * 0.0261% (0.35 1.0 1.00 0.02 0.02) = 0.026% HB THR 118 - HA SER 13 5.556% * 0.0243% (0.32 1.0 1.00 0.02 0.02) = 0.024% HA ILE 89 - HA THR 46 5.556% * 0.0231% (0.31 1.0 1.00 0.02 0.02) = 0.023% HB3 SER 82 - HA THR 46 5.556% * 0.0190% (0.25 1.0 1.00 0.02 0.02) = 0.019% HA ILE 89 - HA SER 37 5.556% * 0.0173% (0.23 1.0 1.00 0.02 0.02) = 0.017% HB3 SER 82 - HA SER 37 5.556% * 0.0142% (0.19 1.0 1.00 0.02 0.02) = 0.014% HB THR 118 - HA THR 46 5.556% * 0.0085% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB THR 118 - HA SER 37 5.556% * 0.0064% (0.09 1.0 1.00 0.02 0.02) = 0.006% Peak 32 (4.41, 3.86, 64.22 ppm): 14 chemical-shift based assignments, quality = 0.843, support = 1.87, residual support = 7.84: * O T HA SER 13 - QB SER 13 7.143% * 74.6422% (1.00 10.0 10.00 1.93 4.63) = 74.642% kept O T HA SER 37 - HB3 SER 37 7.143% * 18.0960% (0.24 10.0 10.00 2.31 24.23) = 18.096% kept T HA SER 13 - HB3 SER 37 7.143% * 6.0889% (0.87 1.0 10.00 0.19 0.02) = 6.089% kept T HA THR 46 - QB SER 13 7.143% * 0.2801% (0.38 1.0 10.00 0.02 0.02) = 0.280% T HA THR 46 - HB3 SER 37 7.143% * 0.2443% (0.33 1.0 10.00 0.02 0.02) = 0.244% T HA SER 37 - QB SER 13 7.143% * 0.2075% (0.28 1.0 10.00 0.02 0.02) = 0.208% HA GLU- 15 - QB SER 13 7.143% * 0.0746% (1.00 1.0 1.00 0.02 0.02) = 0.075% HA PRO 58 - QB SER 13 7.143% * 0.0743% (1.00 1.0 1.00 0.02 0.02) = 0.074% HA LEU 40 - QB SER 13 7.143% * 0.0659% (0.88 1.0 1.00 0.02 0.02) = 0.066% HA GLU- 15 - HB3 SER 37 7.143% * 0.0651% (0.87 1.0 1.00 0.02 0.02) = 0.065% HA PRO 58 - HB3 SER 37 7.143% * 0.0648% (0.87 1.0 1.00 0.02 0.02) = 0.065% HA LEU 40 - HB3 SER 37 7.143% * 0.0574% (0.77 1.0 1.00 0.02 0.02) = 0.057% HA GLN 17 - QB SER 13 7.143% * 0.0208% (0.28 1.0 1.00 0.02 0.02) = 0.021% HA GLN 17 - HB3 SER 37 7.143% * 0.0181% (0.24 1.0 1.00 0.02 0.02) = 0.018% 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 (0.77) kept Peak 34 (4.31, 4.31, 56.62 ppm): 1 diagonal assignment: * HA GLU- 14 - HA GLU- 14 (1.00) kept Peak 35 (2.08, 4.31, 56.62 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 2.92, residual support = 36.5: * O T HB2 GLU- 14 - HA GLU- 14 25.000% * 98.8230% (1.00 10.0 10.00 2.96 36.96) = 98.823% kept T HG2 MET 11 - HA GLU- 14 25.000% * 0.9833% (1.00 1.0 10.00 0.02 0.15) = 0.983% HG2 PRO 58 - HA GLU- 14 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG3 PRO 52 - HA GLU- 14 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% Peak 36 (2.27, 4.31, 56.62 ppm): 7 chemical-shift based assignments, quality = 0.96, support = 2.35, residual support = 21.1: * O T QG GLU- 14 - HA GLU- 14 14.286% * 53.7160% (1.00 10.0 10.00 2.79 36.96) = 53.716% kept T QG GLU- 15 - HA GLU- 14 14.286% * 45.8059% (0.92 1.0 10.00 1.85 2.66) = 45.806% kept QG GLN 90 - HA GLU- 14 14.286% * 0.1996% (0.92 1.0 1.00 0.08 0.02) = 0.200% T QB MET 11 - HA GLU- 14 14.286% * 0.1494% (0.28 1.0 10.00 0.02 0.15) = 0.149% HB2 ASP- 44 - HA GLU- 14 14.286% * 0.0534% (1.00 1.0 1.00 0.02 0.02) = 0.053% HB3 PHE 72 - HA GLU- 14 14.286% * 0.0527% (0.98 1.0 1.00 0.02 0.02) = 0.053% HG12 ILE 119 - HA GLU- 14 14.286% * 0.0231% (0.43 1.0 1.00 0.02 0.02) = 0.023% Peak 38 (4.31, 2.08, 30.50 ppm): 8 chemical-shift based assignments, quality = 0.964, support = 2.85, residual support = 34.0: * O T HA GLU- 14 - HB2 GLU- 14 12.500% * 90.8594% (1.00 10.0 10.00 2.96 36.96) = 90.859% kept HA ALA 12 - HG2 MET 11 12.500% * 4.5357% (0.36 1.0 1.00 2.80 9.56) = 4.536% kept HA ALA 12 - HB2 GLU- 14 12.500% * 4.0676% (0.96 1.0 1.00 0.94 0.02) = 4.068% kept T HA GLU- 14 - HG2 MET 11 12.500% * 0.3393% (0.37 1.0 10.00 0.02 0.15) = 0.339% HA ASP- 86 - HB2 GLU- 14 12.500% * 0.0891% (0.98 1.0 1.00 0.02 0.02) = 0.089% HA LEU 104 - HB2 GLU- 14 12.500% * 0.0551% (0.61 1.0 1.00 0.02 0.02) = 0.055% HA ASP- 86 - HG2 MET 11 12.500% * 0.0333% (0.37 1.0 1.00 0.02 0.02) = 0.033% HA LEU 104 - HG2 MET 11 12.500% * 0.0206% (0.23 1.0 1.00 0.02 0.02) = 0.021% 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): 14 chemical-shift based assignments, quality = 0.896, support = 2.32, residual support = 22.0: * O T QG GLU- 14 - HB2 GLU- 14 7.143% * 50.5845% (1.00 10.0 10.00 2.82 36.96) = 50.585% kept T QG GLU- 15 - HB2 GLU- 14 7.143% * 40.8526% (0.92 1.0 10.00 1.75 2.66) = 40.853% kept O T QB MET 11 - HG2 MET 11 7.143% * 5.2522% (0.10 10.0 10.00 3.09 41.52) = 5.252% kept T QB MET 11 - HB2 GLU- 14 7.143% * 2.7161% (0.28 1.0 10.00 0.39 0.15) = 2.716% kept T QG GLU- 14 - HG2 MET 11 7.143% * 0.1889% (0.37 1.0 10.00 0.02 0.15) = 0.189% T QG GLU- 15 - HG2 MET 11 7.143% * 0.1744% (0.34 1.0 10.00 0.02 0.02) = 0.174% HB2 ASP- 44 - HB2 GLU- 14 7.143% * 0.0503% (1.00 1.0 1.00 0.02 0.02) = 0.050% HB3 PHE 72 - HB2 GLU- 14 7.143% * 0.0496% (0.98 1.0 1.00 0.02 0.02) = 0.050% QG GLN 90 - HB2 GLU- 14 7.143% * 0.0467% (0.92 1.0 1.00 0.02 0.02) = 0.047% HG12 ILE 119 - HB2 GLU- 14 7.143% * 0.0217% (0.43 1.0 1.00 0.02 0.02) = 0.022% HB2 ASP- 44 - HG2 MET 11 7.143% * 0.0188% (0.37 1.0 1.00 0.02 0.02) = 0.019% HB3 PHE 72 - HG2 MET 11 7.143% * 0.0185% (0.37 1.0 1.00 0.02 0.02) = 0.019% QG GLN 90 - HG2 MET 11 7.143% * 0.0174% (0.34 1.0 1.00 0.02 0.02) = 0.017% HG12 ILE 119 - HG2 MET 11 7.143% * 0.0081% (0.16 1.0 1.00 0.02 0.02) = 0.008% Peak 42 (4.31, 2.27, 36.31 ppm): 12 chemical-shift based assignments, quality = 0.913, support = 2.33, residual support = 21.5: * O T HA GLU- 14 - QG GLU- 14 8.333% * 55.1974% (1.00 10.0 10.00 2.79 36.96) = 55.197% kept T HA GLU- 14 - QG GLU- 15 8.333% * 42.9127% (0.84 1.0 10.00 1.85 2.66) = 42.913% kept HA ALA 12 - QB MET 11 8.333% * 0.9565% (0.15 1.0 1.00 2.27 9.56) = 0.956% HA ALA 12 - QG GLU- 14 8.333% * 0.6258% (0.96 1.0 1.00 0.24 0.02) = 0.626% T HA GLU- 14 - QB MET 11 8.333% * 0.0880% (0.16 1.0 10.00 0.02 0.15) = 0.088% HA ASP- 86 - QG GLU- 14 8.333% * 0.0541% (0.98 1.0 1.00 0.02 0.02) = 0.054% HA ASP- 86 - QG GLU- 15 8.333% * 0.0455% (0.82 1.0 1.00 0.02 0.02) = 0.046% HA ALA 12 - QG GLU- 15 8.333% * 0.0444% (0.80 1.0 1.00 0.02 0.02) = 0.044% HA LEU 104 - QG GLU- 14 8.333% * 0.0335% (0.61 1.0 1.00 0.02 0.02) = 0.033% HA LEU 104 - QG GLU- 15 8.333% * 0.0282% (0.51 1.0 1.00 0.02 0.02) = 0.028% HA ASP- 86 - QB MET 11 8.333% * 0.0086% (0.16 1.0 1.00 0.02 0.02) = 0.009% HA LEU 104 - QB MET 11 8.333% * 0.0053% (0.10 1.0 1.00 0.02 0.02) = 0.005% 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 (0.78) kept QB MET 11 - QB MET 11 (0.04) kept Peak 45 (1.92, 2.27, 36.31 ppm): 12 chemical-shift based assignments, quality = 0.858, support = 2.49, residual support = 23.2: * O T HB3 GLU- 14 - QG GLU- 14 8.333% * 51.7383% (1.00 10.0 10.00 3.00 36.96) = 51.738% kept T HB3 GLU- 14 - QG GLU- 15 8.333% * 39.0013% (0.84 1.0 10.00 1.79 2.66) = 39.001% kept O T HG3 MET 11 - QB MET 11 8.333% * 7.2768% (0.14 10.0 10.00 3.21 41.52) = 7.277% kept T HB3 GLU- 14 - QB MET 11 8.333% * 1.0472% (0.16 1.0 10.00 0.25 0.15) = 1.047% kept T HG3 MET 11 - QG GLU- 14 8.333% * 0.4566% (0.88 1.0 10.00 0.02 0.15) = 0.457% T HG3 MET 11 - QG GLU- 15 8.333% * 0.3843% (0.74 1.0 10.00 0.02 0.02) = 0.384% HB3 MET 96 - QG GLU- 14 8.333% * 0.0376% (0.73 1.0 1.00 0.02 0.02) = 0.038% HB3 MET 96 - QG GLU- 15 8.333% * 0.0316% (0.61 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 40 - QG GLU- 14 8.333% * 0.0102% (0.20 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 40 - QG GLU- 15 8.333% * 0.0086% (0.17 1.0 1.00 0.02 0.02) = 0.009% HB3 MET 96 - QB MET 11 8.333% * 0.0060% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 40 - QB MET 11 8.333% * 0.0016% (0.03 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 (0.67) kept Peak 51 (2.27, 4.41, 56.54 ppm): 14 chemical-shift based assignments, quality = 0.95, support = 1.59, residual support = 2.91: * O T QG GLU- 15 - HA GLU- 15 7.143% * 52.0388% (1.00 10.0 10.00 1.32 3.22) = 52.039% kept T QG GLU- 14 - HA GLU- 15 7.143% * 46.5104% (0.92 1.0 10.00 1.94 2.66) = 46.510% kept T QG GLU- 15 - HA LEU 40 7.143% * 0.3926% (0.75 1.0 10.00 0.02 0.02) = 0.393% T QG GLU- 14 - HA LEU 40 7.143% * 0.3624% (0.70 1.0 10.00 0.02 0.02) = 0.362% T QB MET 11 - HA GLU- 15 7.143% * 0.2533% (0.49 1.0 10.00 0.02 0.02) = 0.253% T QB MET 11 - HA LEU 40 7.143% * 0.1911% (0.37 1.0 10.00 0.02 0.02) = 0.191% HB2 ASP- 44 - HA GLU- 15 7.143% * 0.0497% (0.96 1.0 1.00 0.02 0.02) = 0.050% HB3 PHE 72 - HA GLU- 15 7.143% * 0.0435% (0.84 1.0 1.00 0.02 0.02) = 0.043% QG GLN 90 - HA GLU- 15 7.143% * 0.0378% (0.73 1.0 1.00 0.02 0.02) = 0.038% HB2 ASP- 44 - HA LEU 40 7.143% * 0.0375% (0.72 1.0 1.00 0.02 0.02) = 0.038% HB3 PHE 72 - HA LEU 40 7.143% * 0.0328% (0.63 1.0 1.00 0.02 0.02) = 0.033% QG GLN 90 - HA LEU 40 7.143% * 0.0285% (0.55 1.0 1.00 0.02 0.02) = 0.029% HG12 ILE 119 - HA GLU- 15 7.143% * 0.0123% (0.24 1.0 1.00 0.02 0.02) = 0.012% HG12 ILE 119 - HA LEU 40 7.143% * 0.0093% (0.18 1.0 1.00 0.02 0.02) = 0.009% Peak 52 (2.01, 4.41, 56.54 ppm): 16 chemical-shift based assignments, quality = 0.991, support = 1.43, residual support = 2.23: * O T QB GLU- 15 - HA GLU- 15 6.250% * 67.7738% (1.00 10.0 10.00 1.68 3.22) = 67.774% kept T HB2 GLN 17 - HA GLU- 15 6.250% * 31.3591% (1.00 1.0 10.00 0.93 0.16) = 31.359% kept T HB3 PRO 68 - HA GLU- 15 6.250% * 0.4111% (0.61 1.0 10.00 0.02 0.02) = 0.411% HB2 LYS+ 111 - HA GLU- 15 6.250% * 0.0664% (0.98 1.0 1.00 0.02 0.02) = 0.066% HB3 GLU- 25 - HA GLU- 15 6.250% * 0.0598% (0.88 1.0 1.00 0.02 0.02) = 0.060% QB GLU- 15 - HA LEU 40 6.250% * 0.0511% (0.75 1.0 1.00 0.02 0.02) = 0.051% HB2 GLN 17 - HA LEU 40 6.250% * 0.0511% (0.75 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 111 - HA LEU 40 6.250% * 0.0501% (0.74 1.0 1.00 0.02 0.02) = 0.050% HB3 GLU- 25 - HA LEU 40 6.250% * 0.0451% (0.67 1.0 1.00 0.02 0.02) = 0.045% HB3 PRO 68 - HA LEU 40 6.250% * 0.0310% (0.46 1.0 1.00 0.02 0.02) = 0.031% QB GLU- 114 - HA GLU- 15 6.250% * 0.0254% (0.38 1.0 1.00 0.02 0.02) = 0.025% QB GLU- 114 - HA LEU 40 6.250% * 0.0192% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB ILE 19 - HA GLU- 15 6.250% * 0.0188% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB ILE 19 - HA LEU 40 6.250% * 0.0142% (0.21 1.0 1.00 0.02 0.02) = 0.014% HG2 PRO 68 - HA GLU- 15 6.250% * 0.0134% (0.20 1.0 1.00 0.02 0.02) = 0.013% HG2 PRO 68 - HA LEU 40 6.250% * 0.0101% (0.15 1.0 1.00 0.02 0.02) = 0.010% Peak 53 (4.41, 2.27, 36.40 ppm): 21 chemical-shift based assignments, quality = 0.914, support = 1.6, residual support = 3.03: * O T HA GLU- 15 - QG GLU- 15 4.762% * 50.9524% (1.00 10.0 10.00 1.32 3.22) = 50.952% kept T HA GLU- 15 - QG GLU- 14 4.762% * 41.5180% (0.84 1.0 10.00 1.94 2.66) = 41.518% kept HA SER 13 - QG GLU- 14 4.762% * 5.1116% (0.84 1.0 1.00 2.38 5.65) = 5.112% kept HA SER 13 - QG GLU- 15 4.762% * 1.2300% (1.00 1.0 1.00 0.48 0.02) = 1.230% kept T HA LEU 40 - QG GLU- 15 4.762% * 0.4497% (0.88 1.0 10.00 0.02 0.02) = 0.450% T HA LEU 40 - QG GLU- 14 4.762% * 0.3784% (0.74 1.0 10.00 0.02 0.02) = 0.378% T HA GLU- 15 - QB MET 11 4.762% * 0.0823% (0.16 1.0 10.00 0.02 0.02) = 0.082% T HA LEU 40 - QB MET 11 4.762% * 0.0727% (0.14 1.0 10.00 0.02 0.02) = 0.073% HA PRO 58 - QG GLU- 15 4.762% * 0.0507% (1.00 1.0 1.00 0.02 0.02) = 0.051% HA PRO 58 - QG GLU- 14 4.762% * 0.0427% (0.84 1.0 1.00 0.02 0.02) = 0.043% HA THR 46 - QG GLU- 15 4.762% * 0.0191% (0.38 1.0 1.00 0.02 0.02) = 0.019% HA THR 46 - QG GLU- 14 4.762% * 0.0161% (0.32 1.0 1.00 0.02 0.02) = 0.016% HA GLN 17 - QG GLU- 15 4.762% * 0.0142% (0.28 1.0 1.00 0.02 0.16) = 0.014% HA SER 37 - QG GLU- 15 4.762% * 0.0142% (0.28 1.0 1.00 0.02 0.02) = 0.014% HA GLN 17 - QG GLU- 14 4.762% * 0.0119% (0.23 1.0 1.00 0.02 0.02) = 0.012% HA SER 37 - QG GLU- 14 4.762% * 0.0119% (0.23 1.0 1.00 0.02 0.02) = 0.012% HA SER 13 - QB MET 11 4.762% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% HA PRO 58 - QB MET 11 4.762% * 0.0082% (0.16 1.0 1.00 0.02 0.02) = 0.008% HA THR 46 - QB MET 11 4.762% * 0.0031% (0.06 1.0 1.00 0.02 0.02) = 0.003% HA SER 37 - QB MET 11 4.762% * 0.0023% (0.04 1.0 1.00 0.02 0.02) = 0.002% HA GLN 17 - QB MET 11 4.762% * 0.0023% (0.04 1.0 1.00 0.02 0.02) = 0.002% 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 (0.78) kept QB MET 11 - QB MET 11 (0.08) 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): 8 chemical-shift based assignments, quality = 0.992, support = 3.93, residual support = 63.6: * O T HB2 GLN 17 - HA GLN 17 12.500% * 92.3725% (1.00 10.0 10.00 4.24 68.85) = 92.373% kept T QB GLU- 15 - HA GLN 17 12.500% * 6.8165% (1.00 1.0 10.00 0.15 0.16) = 6.817% kept T HB3 PRO 68 - HA GLN 17 12.500% * 0.5603% (0.61 1.0 10.00 0.02 0.02) = 0.560% HB2 LYS+ 111 - HA GLN 17 12.500% * 0.0905% (0.98 1.0 1.00 0.02 0.02) = 0.091% HB3 GLU- 25 - HA GLN 17 12.500% * 0.0815% (0.88 1.0 1.00 0.02 0.02) = 0.082% QB GLU- 114 - HA GLN 17 12.500% * 0.0347% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - HA GLN 17 12.500% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 68 - HA GLN 17 12.500% * 0.0183% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 62 (2.21, 4.42, 54.38 ppm): 6 chemical-shift based assignments, quality = 0.582, support = 3.02, residual support = 45.6: * O T QG GLN 17 - HA GLN 17 16.667% * 65.4696% (0.55 10.0 10.00 4.18 68.85) = 65.470% kept T HB VAL 70 - HA GLN 17 16.667% * 33.7255% (0.67 1.0 10.00 0.84 1.63) = 33.726% kept HB2 MET 96 - HA GLN 17 16.667% * 0.6815% (0.98 1.0 1.00 0.12 0.02) = 0.682% HG2 GLU- 100 - HA GLN 17 16.667% * 0.0450% (0.38 1.0 1.00 0.02 0.02) = 0.045% HB2 GLU- 25 - HA GLN 17 16.667% * 0.0450% (0.38 1.0 1.00 0.02 0.02) = 0.045% HB3 ASP- 76 - HA GLN 17 16.667% * 0.0333% (0.28 1.0 1.00 0.02 0.02) = 0.033% Peak 63 (4.42, 2.01, 31.84 ppm): 21 chemical-shift based assignments, quality = 0.207, support = 3.33, residual support = 48.7: * O T HA GLN 17 - HB2 GLN 17 4.762% * 69.7683% (0.24 10.0 10.00 4.24 68.85) = 69.768% kept O T HA GLU- 15 - QB GLU- 15 4.762% * 21.7732% (0.08 10.0 10.00 1.68 3.22) = 21.773% kept T HA GLN 17 - QB GLU- 15 4.762% * 5.7788% (0.27 1.0 10.00 0.15 0.16) = 5.779% kept T HA GLN 17 - HB3 PRO 68 4.762% * 1.3259% (0.46 1.0 10.00 0.02 0.02) = 1.326% kept T HA GLU- 15 - HB3 PRO 68 4.762% * 0.3687% (0.13 1.0 10.00 0.02 0.02) = 0.369% T HA GLU- 15 - HB2 GLN 17 4.762% * 0.1940% (0.07 1.0 10.00 0.02 0.16) = 0.194% HA SER 37 - HB3 PRO 68 4.762% * 0.1326% (0.46 1.0 1.00 0.02 0.02) = 0.133% HA THR 46 - HB3 PRO 68 4.762% * 0.1300% (0.45 1.0 1.00 0.02 0.02) = 0.130% HA SER 37 - QB GLU- 15 4.762% * 0.0783% (0.27 1.0 1.00 0.02 0.02) = 0.078% HA THR 46 - QB GLU- 15 4.762% * 0.0768% (0.27 1.0 1.00 0.02 0.02) = 0.077% HA SER 37 - HB2 GLN 17 4.762% * 0.0698% (0.24 1.0 1.00 0.02 0.02) = 0.070% HA THR 46 - HB2 GLN 17 4.762% * 0.0684% (0.24 1.0 1.00 0.02 0.02) = 0.068% HA VAL 42 - HB3 PRO 68 4.762% * 0.0430% (0.15 1.0 1.00 0.02 0.02) = 0.043% HA SER 13 - HB3 PRO 68 4.762% * 0.0369% (0.13 1.0 1.00 0.02 0.02) = 0.037% HA PRO 58 - HB3 PRO 68 4.762% * 0.0313% (0.11 1.0 1.00 0.02 0.02) = 0.031% HA VAL 42 - QB GLU- 15 4.762% * 0.0254% (0.09 1.0 1.00 0.02 0.02) = 0.025% HA VAL 42 - HB2 GLN 17 4.762% * 0.0227% (0.08 1.0 1.00 0.02 0.02) = 0.023% HA SER 13 - QB GLU- 15 4.762% * 0.0218% (0.08 1.0 1.00 0.02 0.02) = 0.022% HA SER 13 - HB2 GLN 17 4.762% * 0.0194% (0.07 1.0 1.00 0.02 0.02) = 0.019% HA PRO 58 - QB GLU- 15 4.762% * 0.0185% (0.06 1.0 1.00 0.02 0.02) = 0.018% HA PRO 58 - HB2 GLN 17 4.762% * 0.0164% (0.06 1.0 1.00 0.02 0.02) = 0.016% Peak 64 (2.01, 2.01, 31.84 ppm): 3 diagonal assignments: HB3 PRO 68 - HB3 PRO 68 (0.28) 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): 18 chemical-shift based assignments, quality = 0.156, support = 2.47, residual support = 35.9: * O T QG GLN 17 - HB2 GLN 17 5.556% * 51.4758% (0.13 10.0 10.00 4.42 68.85) = 51.476% kept T HB VAL 70 - HB2 GLN 17 5.556% * 21.5082% (0.16 1.0 10.00 0.68 1.63) = 21.508% kept T HB VAL 70 - HB3 PRO 68 5.556% * 14.1695% (0.31 1.0 10.00 0.24 0.93) = 14.169% kept T QG GLN 17 - QB GLU- 15 5.556% * 4.2637% (0.15 1.0 10.00 0.15 0.16) = 4.264% kept T HB2 GLU- 25 - HB2 GLN 17 5.556% * 4.1613% (0.09 1.0 10.00 0.24 0.02) = 4.161% kept T QG GLN 17 - HB3 PRO 68 5.556% * 0.9783% (0.25 1.0 10.00 0.02 0.02) = 0.978% T HB VAL 70 - QB GLU- 15 5.556% * 0.7057% (0.18 1.0 10.00 0.02 0.02) = 0.706% T HG2 GLU- 100 - HB3 PRO 68 5.556% * 0.6724% (0.17 1.0 10.00 0.02 0.02) = 0.672% T HB2 GLU- 25 - HB3 PRO 68 5.556% * 0.6724% (0.17 1.0 10.00 0.02 0.02) = 0.672% HB2 MET 96 - HB2 GLN 17 5.556% * 0.5358% (0.24 1.0 1.00 0.12 0.02) = 0.536% T HB2 GLU- 25 - QB GLU- 15 5.556% * 0.3971% (0.10 1.0 10.00 0.02 0.02) = 0.397% HB2 MET 96 - HB3 PRO 68 5.556% * 0.1756% (0.45 1.0 1.00 0.02 0.02) = 0.176% HB2 MET 96 - QB GLU- 15 5.556% * 0.1037% (0.27 1.0 1.00 0.02 0.02) = 0.104% HB3 ASP- 76 - HB3 PRO 68 5.556% * 0.0498% (0.13 1.0 1.00 0.02 0.02) = 0.050% HG2 GLU- 100 - QB GLU- 15 5.556% * 0.0397% (0.10 1.0 1.00 0.02 0.02) = 0.040% HG2 GLU- 100 - HB2 GLN 17 5.556% * 0.0354% (0.09 1.0 1.00 0.02 0.02) = 0.035% HB3 ASP- 76 - QB GLU- 15 5.556% * 0.0294% (0.08 1.0 1.00 0.02 0.02) = 0.029% HB3 ASP- 76 - HB2 GLN 17 5.556% * 0.0262% (0.07 1.0 1.00 0.02 0.02) = 0.026% Peak 66 (4.42, 2.21, 33.80 ppm): 14 chemical-shift based assignments, quality = 0.507, support = 3.87, residual support = 62.7: * O T HA GLN 17 - QG GLN 17 7.143% * 90.8804% (0.55 10.0 10.00 4.18 68.85) = 90.880% kept T HA GLN 17 - HB VAL 70 7.143% * 8.7737% (0.12 1.0 10.00 0.84 1.63) = 8.774% kept HA SER 37 - QG GLN 17 7.143% * 0.0909% (0.55 1.0 1.00 0.02 0.02) = 0.091% HA THR 46 - QG GLN 17 7.143% * 0.0891% (0.54 1.0 1.00 0.02 0.02) = 0.089% HA VAL 42 - QG GLN 17 7.143% * 0.0295% (0.18 1.0 1.00 0.02 0.02) = 0.030% HA GLU- 15 - QG GLN 17 7.143% * 0.0253% (0.15 1.0 1.00 0.02 0.16) = 0.025% HA SER 13 - QG GLN 17 7.143% * 0.0253% (0.15 1.0 1.00 0.02 0.02) = 0.025% HA PRO 58 - QG GLN 17 7.143% * 0.0214% (0.13 1.0 1.00 0.02 0.02) = 0.021% HA SER 37 - HB VAL 70 7.143% * 0.0208% (0.12 1.0 1.00 0.02 0.02) = 0.021% HA THR 46 - HB VAL 70 7.143% * 0.0204% (0.12 1.0 1.00 0.02 0.02) = 0.020% HA VAL 42 - HB VAL 70 7.143% * 0.0068% (0.04 1.0 1.00 0.02 0.02) = 0.007% HA SER 13 - HB VAL 70 7.143% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA GLU- 15 - HB VAL 70 7.143% * 0.0058% (0.03 1.0 1.00 0.02 0.02) = 0.006% HA PRO 58 - HB VAL 70 7.143% * 0.0049% (0.03 1.0 1.00 0.02 0.02) = 0.005% Peak 67 (2.01, 2.21, 33.80 ppm): 16 chemical-shift based assignments, quality = 0.498, support = 3.78, residual support = 57.4: * O T HB2 GLN 17 - QG GLN 17 6.250% * 83.3813% (0.55 10.0 10.00 4.42 68.85) = 83.381% kept T HB3 GLU- 25 - HB VAL 70 6.250% * 8.5390% (0.11 1.0 10.00 1.01 0.02) = 8.539% kept T QB GLU- 15 - QG GLN 17 6.250% * 6.1530% (0.55 1.0 10.00 0.15 0.16) = 6.153% kept T HB3 GLU- 25 - QG GLN 17 6.250% * 0.7358% (0.48 1.0 10.00 0.02 0.02) = 0.736% T HB3 PRO 68 - QG GLN 17 6.250% * 0.5057% (0.33 1.0 10.00 0.02 0.02) = 0.506% T HB2 GLN 17 - HB VAL 70 6.250% * 0.1909% (0.12 1.0 10.00 0.02 1.63) = 0.191% T QB GLU- 15 - HB VAL 70 6.250% * 0.1909% (0.12 1.0 10.00 0.02 0.02) = 0.191% T HB3 PRO 68 - HB VAL 70 6.250% * 0.1158% (0.08 1.0 10.00 0.02 0.93) = 0.116% HB2 LYS+ 111 - QG GLN 17 6.250% * 0.0817% (0.54 1.0 1.00 0.02 0.02) = 0.082% QB GLU- 114 - QG GLN 17 6.250% * 0.0313% (0.20 1.0 1.00 0.02 0.02) = 0.031% HB ILE 19 - QG GLN 17 6.250% * 0.0232% (0.15 1.0 1.00 0.02 0.02) = 0.023% HB2 LYS+ 111 - HB VAL 70 6.250% * 0.0187% (0.12 1.0 1.00 0.02 0.02) = 0.019% HG2 PRO 68 - QG GLN 17 6.250% * 0.0165% (0.11 1.0 1.00 0.02 0.02) = 0.017% QB GLU- 114 - HB VAL 70 6.250% * 0.0072% (0.05 1.0 1.00 0.02 0.02) = 0.007% HB ILE 19 - HB VAL 70 6.250% * 0.0053% (0.03 1.0 1.00 0.02 1.91) = 0.005% HG2 PRO 68 - HB VAL 70 6.250% * 0.0038% (0.02 1.0 1.00 0.02 0.93) = 0.004% Peak 68 (2.21, 2.21, 33.80 ppm): 2 diagonal assignments: * QG GLN 17 - QG GLN 17 (0.30) kept HB VAL 70 - HB VAL 70 (0.08) 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): 5 chemical-shift based assignments, quality = 0.998, support = 3.57, residual support = 62.4: * O T HB VAL 18 - HA VAL 18 20.000% * 99.8005% (1.00 10.0 10.00 3.58 62.50) = 99.800% kept HB3 ARG+ 54 - HA VAL 18 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 67 - HA VAL 18 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 115 - HA VAL 18 20.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 58 - HA VAL 18 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 71 (0.86, 4.00, 62.64 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 4.03, residual support = 60.4: * O T QG1 VAL 18 - HA VAL 18 16.667% * 96.5636% (1.00 10.0 10.00 4.15 62.50) = 96.564% kept QD1 LEU 71 - HA VAL 18 16.667% * 2.3882% (0.67 1.0 1.00 0.74 0.02) = 2.388% kept T QG1 VAL 70 - HA VAL 18 16.667% * 0.9231% (0.96 1.0 10.00 0.02 2.03) = 0.923% QD1 LEU 123 - HA VAL 18 16.667% * 0.0644% (0.67 1.0 1.00 0.02 0.02) = 0.064% HB3 LEU 63 - HA VAL 18 16.667% * 0.0415% (0.43 1.0 1.00 0.02 0.02) = 0.041% HB3 LEU 104 - HA VAL 18 16.667% * 0.0191% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 72 (0.75, 4.00, 62.64 ppm): 6 chemical-shift based assignments, quality = 0.948, support = 4.04, residual support = 57.1: * O T QG2 VAL 18 - HA VAL 18 16.667% * 89.2728% (1.00 10.0 10.00 4.15 62.50) = 89.273% kept QD1 ILE 19 - HA VAL 18 16.667% * 8.4107% (0.49 1.0 1.00 3.87 15.72) = 8.411% kept QG2 THR 46 - HA VAL 18 16.667% * 1.5062% (0.96 1.0 1.00 0.35 0.94) = 1.506% kept T QG1 VAL 41 - HA VAL 18 16.667% * 0.4875% (0.55 1.0 10.00 0.02 0.02) = 0.487% T QD2 LEU 104 - HA VAL 18 16.667% * 0.2482% (0.28 1.0 10.00 0.02 0.02) = 0.248% QG1 VAL 43 - HA VAL 18 16.667% * 0.0746% (0.84 1.0 1.00 0.02 0.02) = 0.075% Peak 73 (4.00, 1.96, 32.56 ppm): 9 chemical-shift based assignments, quality = 0.979, support = 3.43, residual support = 59.5: * O T HA VAL 18 - HB VAL 18 11.111% * 95.1669% (1.00 10.0 10.00 3.58 62.50) = 95.167% kept HA VAL 70 - HB VAL 18 11.111% * 1.7809% (0.43 1.0 1.00 0.87 2.03) = 1.781% kept HA LYS+ 33 - HB VAL 18 11.111% * 1.7367% (0.88 1.0 1.00 0.41 0.11) = 1.737% kept HA GLN 116 - HB VAL 18 11.111% * 1.0467% (0.43 1.0 1.00 0.51 0.02) = 1.047% kept HA GLU- 29 - HB VAL 18 11.111% * 0.0947% (1.00 1.0 1.00 0.02 0.02) = 0.095% HB2 SER 82 - HB VAL 18 11.111% * 0.0933% (0.98 1.0 1.00 0.02 0.02) = 0.093% HA SER 48 - HB VAL 18 11.111% * 0.0463% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA ALA 88 - HB VAL 18 11.111% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA GLN 32 - HB VAL 18 11.111% * 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 = 3.3, residual support = 62.3: * O T QG1 VAL 18 - HB VAL 18 16.667% * 99.7091% (1.00 10.0 10.00 3.31 62.50) = 99.709% kept QG1 VAL 70 - HB VAL 18 16.667% * 0.0953% (0.96 1.0 1.00 0.02 2.03) = 0.095% QD1 LEU 123 - HB VAL 18 16.667% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% QD1 LEU 71 - HB VAL 18 16.667% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 63 - HB VAL 18 16.667% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 LEU 104 - HB VAL 18 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 76 (0.75, 1.96, 32.56 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 3.24, residual support = 58.0: * O T QG2 VAL 18 - HB VAL 18 16.667% * 90.7825% (1.00 10.0 10.00 3.25 62.50) = 90.783% kept QD1 ILE 19 - HB VAL 18 16.667% * 8.0186% (0.49 1.0 1.00 3.63 15.72) = 8.019% kept T QG1 VAL 41 - HB VAL 18 16.667% * 0.4957% (0.55 1.0 10.00 0.02 0.02) = 0.496% QG2 THR 46 - HB VAL 18 16.667% * 0.3749% (0.96 1.0 1.00 0.09 0.94) = 0.375% T QD2 LEU 104 - HB VAL 18 16.667% * 0.2524% (0.28 1.0 10.00 0.02 0.02) = 0.252% QG1 VAL 43 - HB VAL 18 16.667% * 0.0758% (0.84 1.0 1.00 0.02 0.02) = 0.076% Peak 77 (4.00, 0.86, 22.91 ppm): 9 chemical-shift based assignments, quality = 0.824, support = 3.43, residual support = 44.7: * O T HA VAL 18 - QG1 VAL 18 11.111% * 70.6146% (1.00 10.0 10.00 4.15 62.50) = 70.615% kept T HA VAL 70 - QG1 VAL 18 11.111% * 27.5508% (0.43 1.0 10.00 1.82 2.03) = 27.551% kept HA GLN 116 - QG1 VAL 18 11.111% * 0.9499% (0.43 1.0 1.00 0.63 0.02) = 0.950% T HB2 SER 82 - QG1 VAL 18 11.111% * 0.6922% (0.98 1.0 10.00 0.02 0.02) = 0.692% HA GLU- 29 - QG1 VAL 18 11.111% * 0.0703% (1.00 1.0 1.00 0.02 0.02) = 0.070% HA LYS+ 33 - QG1 VAL 18 11.111% * 0.0623% (0.88 1.0 1.00 0.02 0.11) = 0.062% HA SER 48 - QG1 VAL 18 11.111% * 0.0344% (0.49 1.0 1.00 0.02 0.02) = 0.034% HA ALA 88 - QG1 VAL 18 11.111% * 0.0140% (0.20 1.0 1.00 0.02 0.02) = 0.014% HA GLN 32 - QG1 VAL 18 11.111% * 0.0116% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 78 (1.96, 0.86, 22.91 ppm): 5 chemical-shift based assignments, quality = 0.995, support = 3.26, residual support = 61.3: * O T HB VAL 18 - QG1 VAL 18 20.000% * 98.1333% (1.00 10.0 10.00 3.31 62.50) = 98.133% kept HB2 LEU 67 - QG1 VAL 18 20.000% * 1.7473% (0.78 1.0 1.00 0.45 0.02) = 1.747% kept HB3 ARG+ 54 - QG1 VAL 18 20.000% * 0.0768% (0.78 1.0 1.00 0.02 0.02) = 0.077% HB2 LEU 115 - QG1 VAL 18 20.000% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 58 - QG1 VAL 18 20.000% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% 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 = 0.938, support = 3.51, residual support = 53.4: * O T QG2 VAL 18 - QG1 VAL 18 16.667% * 83.4508% (1.00 10.0 10.00 3.79 62.50) = 83.451% kept QD1 ILE 19 - QG1 VAL 18 16.667% * 7.6230% (0.49 1.0 1.00 3.75 15.72) = 7.623% kept QG2 THR 46 - QG1 VAL 18 16.667% * 4.7908% (0.96 1.0 1.00 1.20 0.94) = 4.791% kept T QG1 VAL 41 - QG1 VAL 18 16.667% * 3.8336% (0.55 1.0 10.00 0.17 0.02) = 3.834% kept T QD2 LEU 104 - QG1 VAL 18 16.667% * 0.2320% (0.28 1.0 10.00 0.02 0.02) = 0.232% QG1 VAL 43 - QG1 VAL 18 16.667% * 0.0697% (0.84 1.0 1.00 0.02 0.02) = 0.070% Peak 81 (4.00, 0.75, 22.78 ppm): 27 chemical-shift based assignments, quality = 0.973, support = 3.97, residual support = 59.5: * O T HA VAL 18 - QG2 VAL 18 3.704% * 95.1748% (1.00 10.0 10.00 4.15 62.50) = 95.175% kept HA LYS+ 33 - QG2 VAL 18 3.704% * 1.6425% (0.88 1.0 1.00 0.39 0.11) = 1.643% kept HA LYS+ 33 - QG1 VAL 41 3.704% * 1.4587% (0.48 1.0 1.00 0.64 0.02) = 1.459% kept HA GLU- 29 - QG2 VAL 18 3.704% * 0.6523% (1.00 1.0 1.00 0.14 0.02) = 0.652% T HA VAL 18 - QG1 VAL 41 3.704% * 0.5197% (0.55 1.0 10.00 0.02 0.02) = 0.520% HB2 SER 82 - QG2 VAL 18 3.704% * 0.0933% (0.98 1.0 1.00 0.02 0.02) = 0.093% T HA VAL 18 - QD2 LEU 104 3.704% * 0.0718% (0.08 1.0 10.00 0.02 0.02) = 0.072% HA GLU- 29 - QG1 VAL 41 3.704% * 0.0517% (0.54 1.0 1.00 0.02 0.02) = 0.052% HB2 SER 82 - QG1 VAL 41 3.704% * 0.0509% (0.54 1.0 1.00 0.02 0.02) = 0.051% HA SER 48 - QG2 VAL 18 3.704% * 0.0463% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA GLN 116 - QG2 VAL 18 3.704% * 0.0409% (0.43 1.0 1.00 0.02 0.02) = 0.041% HA VAL 70 - QG2 VAL 18 3.704% * 0.0409% (0.43 1.0 1.00 0.02 2.03) = 0.041% HA SER 48 - QG1 VAL 41 3.704% * 0.0253% (0.27 1.0 1.00 0.02 0.02) = 0.025% HA VAL 70 - QG1 VAL 41 3.704% * 0.0223% (0.23 1.0 1.00 0.02 0.02) = 0.022% HA GLN 116 - QG1 VAL 41 3.704% * 0.0223% (0.23 1.0 1.00 0.02 0.02) = 0.022% HA ALA 88 - QG2 VAL 18 3.704% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA GLN 32 - QG2 VAL 18 3.704% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA ALA 88 - QG1 VAL 41 3.704% * 0.0103% (0.11 1.0 1.00 0.02 0.17) = 0.010% HA GLN 32 - QG1 VAL 41 3.704% * 0.0085% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA GLU- 29 - QD2 LEU 104 3.704% * 0.0071% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB2 SER 82 - QD2 LEU 104 3.704% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA LYS+ 33 - QD2 LEU 104 3.704% * 0.0063% (0.07 1.0 1.00 0.02 0.13) = 0.006% HA SER 48 - QD2 LEU 104 3.704% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% HA GLN 116 - QD2 LEU 104 3.704% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA VAL 70 - QD2 LEU 104 3.704% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA ALA 88 - QD2 LEU 104 3.704% * 0.0014% (0.01 1.0 1.00 0.02 0.02) = 0.001% HA GLN 32 - QD2 LEU 104 3.704% * 0.0012% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 82 (1.96, 0.75, 22.78 ppm): 15 chemical-shift based assignments, quality = 0.991, support = 3.22, residual support = 61.9: * O T HB VAL 18 - QG2 VAL 18 6.667% * 99.0632% (1.00 10.0 10.00 3.25 62.50) = 99.063% kept T HB VAL 18 - QG1 VAL 41 6.667% * 0.5410% (0.55 1.0 10.00 0.02 0.02) = 0.541% HB3 ARG+ 54 - QG2 VAL 18 6.667% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 67 - QG2 VAL 18 6.667% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.078% T HB VAL 18 - QD2 LEU 104 6.667% * 0.0748% (0.08 1.0 10.00 0.02 0.02) = 0.075% HB3 ARG+ 54 - QG1 VAL 41 6.667% * 0.0423% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB2 LEU 67 - QG1 VAL 41 6.667% * 0.0423% (0.43 1.0 1.00 0.02 0.11) = 0.042% HB2 LEU 115 - QG2 VAL 18 6.667% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 PRO 58 - QG2 VAL 18 6.667% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 LEU 115 - QG1 VAL 41 6.667% * 0.0128% (0.13 1.0 1.00 0.02 0.02) = 0.013% HG3 PRO 58 - QG1 VAL 41 6.667% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 ARG+ 54 - QD2 LEU 104 6.667% * 0.0059% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 67 - QD2 LEU 104 6.667% * 0.0059% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 115 - QD2 LEU 104 6.667% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HG3 PRO 58 - QD2 LEU 104 6.667% * 0.0015% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 83 (0.86, 0.75, 22.78 ppm): 18 chemical-shift based assignments, quality = 0.96, support = 3.62, residual support = 61.0: * O T QG1 VAL 18 - QG2 VAL 18 5.556% * 93.6221% (1.00 10.0 10.00 3.79 62.50) = 93.622% kept T QG1 VAL 18 - QG1 VAL 41 5.556% * 4.3009% (0.55 1.0 10.00 0.17 0.02) = 4.301% kept O T HB3 LEU 104 - QD2 LEU 104 5.556% * 1.3982% (0.01 10.0 10.00 5.12 175.07) = 1.398% kept T HB3 LEU 104 - QG2 VAL 18 5.556% * 0.1853% (0.20 1.0 10.00 0.02 0.02) = 0.185% QG1 VAL 70 - QG2 VAL 18 5.556% * 0.0895% (0.96 1.0 1.00 0.02 2.03) = 0.090% T QG1 VAL 18 - QD2 LEU 104 5.556% * 0.0707% (0.08 1.0 10.00 0.02 0.02) = 0.071% QD1 LEU 123 - QG2 VAL 18 5.556% * 0.0624% (0.67 1.0 1.00 0.02 0.02) = 0.062% QD1 LEU 71 - QG2 VAL 18 5.556% * 0.0624% (0.67 1.0 1.00 0.02 0.02) = 0.062% QG1 VAL 70 - QG1 VAL 41 5.556% * 0.0489% (0.52 1.0 1.00 0.02 0.02) = 0.049% HB3 LEU 63 - QG2 VAL 18 5.556% * 0.0402% (0.43 1.0 1.00 0.02 0.02) = 0.040% QD1 LEU 123 - QG1 VAL 41 5.556% * 0.0341% (0.36 1.0 1.00 0.02 0.54) = 0.034% QD1 LEU 71 - QG1 VAL 41 5.556% * 0.0341% (0.36 1.0 1.00 0.02 1.29) = 0.034% HB3 LEU 63 - QG1 VAL 41 5.556% * 0.0220% (0.23 1.0 1.00 0.02 0.02) = 0.022% HB3 LEU 104 - QG1 VAL 41 5.556% * 0.0101% (0.11 1.0 1.00 0.02 0.02) = 0.010% QG1 VAL 70 - QD2 LEU 104 5.556% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% QD1 LEU 123 - QD2 LEU 104 5.556% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD1 LEU 71 - QD2 LEU 104 5.556% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 63 - QD2 LEU 104 5.556% * 0.0030% (0.03 1.0 1.00 0.02 0.14) = 0.003% 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 (0.30) kept QD2 LEU 104 - QD2 LEU 104 (0.02) 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): 7 chemical-shift based assignments, quality = 0.993, support = 4.6, residual support = 97.8: * O T HB ILE 19 - HA ILE 19 14.286% * 96.9719% (1.00 10.0 10.00 4.73 100.87) = 96.972% kept QB GLU- 114 - HA ILE 19 14.286% * 2.3304% (0.98 1.0 1.00 0.49 0.02) = 2.330% kept T HB3 GLU- 25 - HA ILE 19 14.286% * 0.5295% (0.55 1.0 10.00 0.02 0.02) = 0.530% HG2 PRO 68 - HA ILE 19 14.286% * 0.0951% (0.98 1.0 1.00 0.02 0.02) = 0.095% QB GLU- 15 - HA ILE 19 14.286% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 17 - HA ILE 19 14.286% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 111 - HA ILE 19 14.286% * 0.0192% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 87 (1.42, 4.18, 60.49 ppm): 9 chemical-shift based assignments, quality = 0.972, support = 5.12, residual support = 96.6: * O T HG12 ILE 19 - HA ILE 19 11.111% * 95.7694% (1.00 10.0 10.00 5.30 100.87) = 95.769% kept HB3 LEU 67 - HA ILE 19 11.111% * 3.0190% (0.49 1.0 1.00 1.30 0.40) = 3.019% kept T HG LEU 80 - HA ILE 19 11.111% * 0.9156% (0.96 1.0 10.00 0.02 0.02) = 0.916% QB ALA 110 - HA ILE 19 11.111% * 0.0939% (0.98 1.0 1.00 0.02 0.02) = 0.094% QB ALA 61 - HA ILE 19 11.111% * 0.0695% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 80 - HA ILE 19 11.111% * 0.0523% (0.55 1.0 1.00 0.02 0.02) = 0.052% HD3 LYS+ 121 - HA ILE 19 11.111% * 0.0311% (0.32 1.0 1.00 0.02 0.02) = 0.031% HB3 LYS+ 74 - HA ILE 19 11.111% * 0.0266% (0.28 1.0 1.00 0.02 2.70) = 0.027% QG LYS+ 66 - HA ILE 19 11.111% * 0.0226% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 88 (1.25, 4.18, 60.49 ppm): 7 chemical-shift based assignments, quality = 0.96, support = 4.06, residual support = 85.6: * O T HG13 ILE 19 - HA ILE 19 14.286% * 84.4489% (1.00 10.0 10.00 4.73 100.87) = 84.449% kept T HG LEU 71 - HA ILE 19 14.286% * 14.7306% (0.78 1.0 10.00 0.45 2.91) = 14.731% kept HG3 LYS+ 99 - HA ILE 19 14.286% * 0.6138% (0.88 1.0 1.00 0.16 0.02) = 0.614% HG2 LYS+ 74 - HA ILE 19 14.286% * 0.0705% (0.84 1.0 1.00 0.02 2.70) = 0.071% QG2 THR 39 - HA ILE 19 14.286% * 0.0563% (0.67 1.0 1.00 0.02 0.02) = 0.056% QB ALA 91 - HA ILE 19 14.286% * 0.0563% (0.67 1.0 1.00 0.02 0.02) = 0.056% HG3 LYS+ 38 - HA ILE 19 14.286% * 0.0235% (0.28 1.0 1.00 0.02 0.02) = 0.023% Peak 89 (0.74, 4.18, 60.49 ppm): 5 chemical-shift based assignments, quality = 0.947, support = 4.41, residual support = 91.7: * T QD1 ILE 19 - HA ILE 19 20.000% * 89.4316% (1.00 10.00 4.48 100.87) = 89.432% kept QG2 VAL 18 - HA ILE 19 20.000% * 9.3291% (0.49 1.00 4.29 15.72) = 9.329% kept QG2 THR 46 - HA ILE 19 20.000% * 1.1390% (0.67 1.00 0.38 2.20) = 1.139% kept QD2 LEU 104 - HA ILE 19 20.000% * 0.0826% (0.92 1.00 0.02 0.02) = 0.083% QG1 VAL 43 - HA ILE 19 20.000% * 0.0177% (0.20 1.00 0.02 0.02) = 0.018% Peak 90 (4.18, 2.00, 37.78 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 4.59, residual support = 97.4: * O T HA ILE 19 - HB ILE 19 33.333% * 96.5316% (1.00 10.0 10.00 4.73 100.87) = 96.532% kept HA CYS 53 - HB ILE 19 33.333% * 2.6621% (0.78 1.0 1.00 0.70 0.02) = 2.662% kept T HA GLU- 25 - HB ILE 19 33.333% * 0.8063% (0.84 1.0 10.00 0.02 0.02) = 0.806% 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): 9 chemical-shift based assignments, quality = 0.897, support = 3.53, residual support = 81.6: * O T HG12 ILE 19 - HB ILE 19 11.111% * 80.8377% (1.00 10.0 10.00 4.16 100.87) = 80.838% kept T HB3 LEU 67 - HB ILE 19 11.111% * 18.1397% (0.49 1.0 10.00 0.92 0.40) = 18.140% kept T HG LEU 80 - HB ILE 19 11.111% * 0.7728% (0.96 1.0 10.00 0.02 0.02) = 0.773% QB ALA 110 - HB ILE 19 11.111% * 0.0792% (0.98 1.0 1.00 0.02 0.02) = 0.079% QB ALA 61 - HB ILE 19 11.111% * 0.0587% (0.73 1.0 1.00 0.02 0.02) = 0.059% HB2 LEU 80 - HB ILE 19 11.111% * 0.0441% (0.55 1.0 1.00 0.02 0.02) = 0.044% HD3 LYS+ 121 - HB ILE 19 11.111% * 0.0262% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB3 LYS+ 74 - HB ILE 19 11.111% * 0.0225% (0.28 1.0 1.00 0.02 2.70) = 0.022% QG LYS+ 66 - HB ILE 19 11.111% * 0.0191% (0.24 1.0 1.00 0.02 0.02) = 0.019% Peak 93 (1.25, 2.00, 37.78 ppm): 7 chemical-shift based assignments, quality = 0.944, support = 3.18, residual support = 75.8: * O T HG13 ILE 19 - HB ILE 19 14.286% * 74.4661% (1.00 10.0 10.00 4.00 100.87) = 74.466% kept T HG LEU 71 - HB ILE 19 14.286% * 23.9019% (0.78 1.0 10.00 0.82 2.91) = 23.902% kept HG2 LYS+ 74 - HB ILE 19 14.286% * 1.4462% (0.84 1.0 1.00 0.47 2.70) = 1.446% kept HG3 LYS+ 99 - HB ILE 19 14.286% * 0.0657% (0.88 1.0 1.00 0.02 0.02) = 0.066% QB ALA 91 - HB ILE 19 14.286% * 0.0497% (0.67 1.0 1.00 0.02 0.02) = 0.050% QG2 THR 39 - HB ILE 19 14.286% * 0.0497% (0.67 1.0 1.00 0.02 0.02) = 0.050% HG3 LYS+ 38 - HB ILE 19 14.286% * 0.0207% (0.28 1.0 1.00 0.02 0.02) = 0.021% Peak 94 (0.74, 2.00, 37.78 ppm): 5 chemical-shift based assignments, quality = 0.947, support = 3.71, residual support = 91.7: * O T QD1 ILE 19 - HB ILE 19 20.000% * 89.4723% (1.00 10.0 10.00 3.69 100.87) = 89.472% kept QG2 VAL 18 - HB ILE 19 20.000% * 9.3727% (0.49 1.0 1.00 4.30 15.72) = 9.373% kept QG2 THR 46 - HB ILE 19 20.000% * 1.0546% (0.67 1.0 1.00 0.35 2.20) = 1.055% kept QD2 LEU 104 - HB ILE 19 20.000% * 0.0826% (0.92 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 43 - HB ILE 19 20.000% * 0.0177% (0.20 1.0 1.00 0.02 0.02) = 0.018% Peak 95 (4.18, 1.42, 27.25 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 5.15, residual support = 97.7: * O T HA ILE 19 - HG12 ILE 19 16.667% * 96.8099% (1.00 10.0 10.00 5.30 100.87) = 96.810% kept HA CYS 53 - HG12 ILE 19 16.667% * 2.6593% (0.78 1.0 1.00 0.70 0.02) = 2.659% kept T HA ILE 19 - HG LEU 80 16.667% * 0.3873% (0.40 1.0 10.00 0.02 0.02) = 0.387% HA GLU- 25 - HG12 ILE 19 16.667% * 0.0809% (0.84 1.0 1.00 0.02 0.02) = 0.081% HA GLU- 25 - HG LEU 80 16.667% * 0.0323% (0.33 1.0 1.00 0.02 0.02) = 0.032% HA CYS 53 - HG LEU 80 16.667% * 0.0303% (0.31 1.0 1.00 0.02 0.02) = 0.030% Peak 96 (2.00, 1.42, 27.25 ppm): 14 chemical-shift based assignments, quality = 0.992, support = 4.12, residual support = 100.0: * O T HB ILE 19 - HG12 ILE 19 7.143% * 99.1508% (1.00 10.0 10.00 4.16 100.87) = 99.151% kept T HB ILE 19 - HG LEU 80 7.143% * 0.3966% (0.40 1.0 10.00 0.02 0.02) = 0.397% QB GLU- 114 - HG12 ILE 19 7.143% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 PRO 68 - HG12 ILE 19 7.143% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HG12 ILE 19 7.143% * 0.0541% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 68 - HG LEU 80 7.143% * 0.0389% (0.39 1.0 1.00 0.02 0.02) = 0.039% QB GLU- 114 - HG LEU 80 7.143% * 0.0389% (0.39 1.0 1.00 0.02 0.02) = 0.039% HB2 GLN 17 - HG12 ILE 19 7.143% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB GLU- 15 - HG12 ILE 19 7.143% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 25 - HG LEU 80 7.143% * 0.0217% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 111 - HG12 ILE 19 7.143% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 GLN 17 - HG LEU 80 7.143% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% QB GLU- 15 - HG LEU 80 7.143% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB2 LYS+ 111 - HG LEU 80 7.143% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 97 (1.42, 1.42, 27.25 ppm): 2 diagonal assignments: * HG12 ILE 19 - HG12 ILE 19 (1.00) kept HG LEU 80 - HG LEU 80 (0.38) kept Peak 98 (1.25, 1.42, 27.25 ppm): 14 chemical-shift based assignments, quality = 0.941, support = 3.29, residual support = 78.8: * O T HG13 ILE 19 - HG12 ILE 19 7.143% * 77.4992% (1.00 10.0 10.00 4.06 100.87) = 77.499% kept T HG LEU 71 - HG12 ILE 19 7.143% * 20.8201% (0.78 1.0 10.00 0.69 2.91) = 20.820% kept T HG LEU 71 - HG LEU 80 7.143% * 1.0094% (0.31 1.0 10.00 0.08 0.02) = 1.009% kept T HG13 ILE 19 - HG LEU 80 7.143% * 0.3100% (0.40 1.0 10.00 0.02 0.02) = 0.310% HG3 LYS+ 99 - HG12 ILE 19 7.143% * 0.0684% (0.88 1.0 1.00 0.02 0.02) = 0.068% HG2 LYS+ 74 - HG12 ILE 19 7.143% * 0.0647% (0.84 1.0 1.00 0.02 2.70) = 0.065% QG2 THR 39 - HG12 ILE 19 7.143% * 0.0517% (0.67 1.0 1.00 0.02 0.02) = 0.052% QB ALA 91 - HG12 ILE 19 7.143% * 0.0517% (0.67 1.0 1.00 0.02 0.02) = 0.052% HG3 LYS+ 99 - HG LEU 80 7.143% * 0.0274% (0.35 1.0 1.00 0.02 0.40) = 0.027% HG2 LYS+ 74 - HG LEU 80 7.143% * 0.0259% (0.33 1.0 1.00 0.02 0.02) = 0.026% HG3 LYS+ 38 - HG12 ILE 19 7.143% * 0.0215% (0.28 1.0 1.00 0.02 0.02) = 0.022% QG2 THR 39 - HG LEU 80 7.143% * 0.0207% (0.27 1.0 1.00 0.02 0.02) = 0.021% QB ALA 91 - HG LEU 80 7.143% * 0.0207% (0.27 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 38 - HG LEU 80 7.143% * 0.0086% (0.11 1.0 1.00 0.02 0.02) = 0.009% Peak 99 (0.74, 1.42, 27.25 ppm): 10 chemical-shift based assignments, quality = 0.95, support = 3.66, residual support = 93.0: * O T QD1 ILE 19 - HG12 ILE 19 10.000% * 90.8872% (1.00 10.0 10.00 3.66 100.87) = 90.887% kept QG2 VAL 18 - HG12 ILE 19 10.000% * 8.5040% (0.49 1.0 1.00 3.84 15.72) = 8.504% kept T QD1 ILE 19 - HG LEU 80 10.000% * 0.3636% (0.40 1.0 10.00 0.02 0.02) = 0.364% QD2 LEU 104 - HG12 ILE 19 10.000% * 0.0839% (0.92 1.0 1.00 0.02 0.02) = 0.084% QG2 THR 46 - HG12 ILE 19 10.000% * 0.0606% (0.67 1.0 1.00 0.02 2.20) = 0.061% QD2 LEU 104 - HG LEU 80 10.000% * 0.0336% (0.37 1.0 1.00 0.02 0.02) = 0.034% QG2 THR 46 - HG LEU 80 10.000% * 0.0243% (0.27 1.0 1.00 0.02 0.02) = 0.024% QG1 VAL 43 - HG12 ILE 19 10.000% * 0.0180% (0.20 1.0 1.00 0.02 0.02) = 0.018% QG2 VAL 18 - HG LEU 80 10.000% * 0.0177% (0.19 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 43 - HG LEU 80 10.000% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 100 (4.18, 1.25, 27.25 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 4.69, residual support = 99.9: * O T HA ILE 19 - HG13 ILE 19 16.667% * 98.9986% (1.00 10.0 10.00 4.73 100.87) = 98.999% kept T HA CYS 53 - HG13 ILE 19 16.667% * 0.7749% (0.78 1.0 10.00 0.02 0.02) = 0.775% T HA ILE 19 - HG LEU 71 16.667% * 0.1239% (0.13 1.0 10.00 0.02 2.91) = 0.124% HA GLU- 25 - HG13 ILE 19 16.667% * 0.0827% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA GLU- 25 - HG LEU 71 16.667% * 0.0103% (0.10 1.0 1.00 0.02 1.02) = 0.010% HA CYS 53 - HG LEU 71 16.667% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 101 (2.00, 1.25, 27.25 ppm): 14 chemical-shift based assignments, quality = 0.996, support = 3.94, residual support = 99.4: * O T HB ILE 19 - HG13 ILE 19 7.143% * 98.5321% (1.00 10.0 10.00 4.00 100.87) = 98.532% kept HG2 PRO 68 - HG13 ILE 19 7.143% * 1.0798% (0.98 1.0 1.00 0.22 0.02) = 1.080% kept T HB ILE 19 - HG LEU 71 7.143% * 0.1233% (0.13 1.0 10.00 0.02 2.91) = 0.123% QB GLU- 114 - HG13 ILE 19 7.143% * 0.0966% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HG13 ILE 19 7.143% * 0.0538% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB GLU- 15 - HG13 ILE 19 7.143% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 17 - HG13 ILE 19 7.143% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 111 - HG13 ILE 19 7.143% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB GLU- 114 - HG LEU 71 7.143% * 0.0121% (0.12 1.0 1.00 0.02 0.02) = 0.012% HG2 PRO 68 - HG LEU 71 7.143% * 0.0121% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB3 GLU- 25 - HG LEU 71 7.143% * 0.0067% (0.07 1.0 1.00 0.02 1.02) = 0.007% HB2 GLN 17 - HG LEU 71 7.143% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB GLU- 15 - HG LEU 71 7.143% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 LYS+ 111 - HG LEU 71 7.143% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 102 (1.42, 1.25, 27.25 ppm): 18 chemical-shift based assignments, quality = 0.96, support = 3.91, residual support = 94.5: * O T HG12 ILE 19 - HG13 ILE 19 5.556% * 93.6415% (1.00 10.0 10.00 4.06 100.87) = 93.641% kept HB3 LEU 67 - HG13 ILE 19 5.556% * 4.9028% (0.49 1.0 1.00 2.15 0.40) = 4.903% kept T HG LEU 80 - HG13 ILE 19 5.556% * 0.8952% (0.96 1.0 10.00 0.02 0.02) = 0.895% T HG12 ILE 19 - HG LEU 71 5.556% * 0.1171% (0.13 1.0 10.00 0.02 2.91) = 0.117% T HG LEU 80 - HG LEU 71 5.556% * 0.1120% (0.12 1.0 10.00 0.02 0.02) = 0.112% QB ALA 110 - HG13 ILE 19 5.556% * 0.0918% (0.98 1.0 1.00 0.02 0.02) = 0.092% QB ALA 61 - HG13 ILE 19 5.556% * 0.0680% (0.73 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 80 - HG13 ILE 19 5.556% * 0.0511% (0.55 1.0 1.00 0.02 0.02) = 0.051% HD3 LYS+ 121 - HG13 ILE 19 5.556% * 0.0304% (0.32 1.0 1.00 0.02 0.02) = 0.030% HB3 LYS+ 74 - HG13 ILE 19 5.556% * 0.0260% (0.28 1.0 1.00 0.02 2.70) = 0.026% QG LYS+ 66 - HG13 ILE 19 5.556% * 0.0221% (0.24 1.0 1.00 0.02 0.02) = 0.022% QB ALA 110 - HG LEU 71 5.556% * 0.0115% (0.12 1.0 1.00 0.02 0.02) = 0.011% QB ALA 61 - HG LEU 71 5.556% * 0.0085% (0.09 1.0 1.00 0.02 0.02) = 0.009% HB2 LEU 80 - HG LEU 71 5.556% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 LEU 67 - HG LEU 71 5.556% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HD3 LYS+ 121 - HG LEU 71 5.556% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 74 - HG LEU 71 5.556% * 0.0033% (0.03 1.0 1.00 0.02 2.00) = 0.003% QG LYS+ 66 - HG LEU 71 5.556% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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 (0.10) kept Peak 104 (0.74, 1.25, 27.25 ppm): 10 chemical-shift based assignments, quality = 0.95, support = 3.67, residual support = 92.7: * O T QD1 ILE 19 - HG13 ILE 19 10.000% * 90.4467% (1.00 10.0 10.00 3.63 100.87) = 90.447% kept QG2 VAL 18 - HG13 ILE 19 10.000% * 9.2527% (0.49 1.0 1.00 4.20 15.72) = 9.253% kept T QD1 ILE 19 - HG LEU 71 10.000% * 0.1132% (0.13 1.0 10.00 0.02 2.91) = 0.113% QD2 LEU 104 - HG13 ILE 19 10.000% * 0.0835% (0.92 1.0 1.00 0.02 0.02) = 0.083% QG2 THR 46 - HG13 ILE 19 10.000% * 0.0603% (0.67 1.0 1.00 0.02 2.20) = 0.060% QG1 VAL 43 - HG13 ILE 19 10.000% * 0.0179% (0.20 1.0 1.00 0.02 0.02) = 0.018% QD2 LEU 104 - HG LEU 71 10.000% * 0.0104% (0.12 1.0 1.00 0.02 0.02) = 0.010% QG2 THR 46 - HG LEU 71 10.000% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.008% QG2 VAL 18 - HG LEU 71 10.000% * 0.0055% (0.06 1.0 1.00 0.02 0.02) = 0.006% QG1 VAL 43 - HG LEU 71 10.000% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 105 (4.18, 0.74, 12.33 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 4.37, residual support = 98.0: * T HA ILE 19 - QD1 ILE 19 33.333% * 97.1046% (1.00 10.00 4.48 100.87) = 97.105% kept HA CYS 53 - QD1 ILE 19 33.333% * 2.8143% (0.78 1.00 0.74 0.02) = 2.814% kept HA GLU- 25 - QD1 ILE 19 33.333% * 0.0811% (0.84 1.00 0.02 0.02) = 0.081% Peak 106 (2.00, 0.74, 12.33 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 3.68, residual support = 100.5: * O T HB ILE 19 - QD1 ILE 19 14.286% * 99.6750% (1.00 10.0 10.00 3.69 100.87) = 99.675% kept HG2 PRO 68 - QD1 ILE 19 14.286% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% QB GLU- 114 - QD1 ILE 19 14.286% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 25 - QD1 ILE 19 14.286% * 0.0544% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB GLU- 15 - QD1 ILE 19 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 17 - QD1 ILE 19 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 LYS+ 111 - QD1 ILE 19 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 107 (1.42, 0.74, 12.33 ppm): 9 chemical-shift based assignments, quality = 0.979, support = 3.57, residual support = 97.9: * O T HG12 ILE 19 - QD1 ILE 19 11.111% * 97.0333% (1.00 10.0 10.00 3.66 100.87) = 97.033% kept HB3 LEU 67 - QD1 ILE 19 11.111% * 1.7392% (0.49 1.0 1.00 0.74 0.40) = 1.739% kept T HG LEU 80 - QD1 ILE 19 11.111% * 0.9276% (0.96 1.0 10.00 0.02 0.02) = 0.928% QB ALA 110 - QD1 ILE 19 11.111% * 0.0951% (0.98 1.0 1.00 0.02 0.02) = 0.095% QB ALA 61 - QD1 ILE 19 11.111% * 0.0705% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 80 - QD1 ILE 19 11.111% * 0.0530% (0.55 1.0 1.00 0.02 0.02) = 0.053% HD3 LYS+ 121 - QD1 ILE 19 11.111% * 0.0315% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 LYS+ 74 - QD1 ILE 19 11.111% * 0.0270% (0.28 1.0 1.00 0.02 2.70) = 0.027% QG LYS+ 66 - QD1 ILE 19 11.111% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 108 (1.25, 0.74, 12.33 ppm): 7 chemical-shift based assignments, quality = 0.984, support = 3.57, residual support = 99.3: * O T HG13 ILE 19 - QD1 ILE 19 14.286% * 98.4444% (1.00 10.0 10.00 3.63 100.87) = 98.444% kept T HG LEU 71 - QD1 ILE 19 14.286% * 0.7705% (0.78 1.0 10.00 0.02 2.91) = 0.771% HG3 LYS+ 99 - QD1 ILE 19 14.286% * 0.5442% (0.88 1.0 1.00 0.13 0.02) = 0.544% HG2 LYS+ 74 - QD1 ILE 19 14.286% * 0.0822% (0.84 1.0 1.00 0.02 2.70) = 0.082% QG2 THR 39 - QD1 ILE 19 14.286% * 0.0657% (0.67 1.0 1.00 0.02 0.02) = 0.066% QB ALA 91 - QD1 ILE 19 14.286% * 0.0657% (0.67 1.0 1.00 0.02 0.02) = 0.066% HG3 LYS+ 38 - QD1 ILE 19 14.286% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% 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 = 0.989, support = 2.28, residual support = 10.8: * O T QB ALA 20 - HA ALA 20 20.000% * 98.9429% (1.00 10.0 10.00 2.30 10.93) = 98.943% kept HG13 ILE 119 - HA ALA 20 20.000% * 0.9325% (0.43 1.0 1.00 0.44 0.02) = 0.932% HG2 LYS+ 121 - HA ALA 20 20.000% * 0.0600% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 LEU 31 - HA ALA 20 20.000% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG2 VAL 107 - HA ALA 20 20.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 112 (4.63, 1.14, 19.25 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.3, residual support = 10.9: * O T HA ALA 20 - QB ALA 20 100.000% *100.0000% (1.00 10.0 10.00 2.30 10.93) = 100.000% kept 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): 2 chemical-shift based assignments, quality = 1.0, support = 2.5, residual support = 28.6: * O T HB2 CYS 21 - HA CYS 21 50.000% * 99.9722% (1.00 10.0 10.00 2.50 28.57) = 99.972% kept QE LYS+ 111 - HA CYS 21 50.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 116 (2.60, 4.59, 57.78 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 2.53, residual support = 28.6: * O T HB3 CYS 21 - HA CYS 21 50.000% * 99.9617% (0.43 10.0 10.00 2.53 28.57) = 99.962% kept HG2 MET 96 - HA CYS 21 50.000% * 0.0383% (0.16 1.0 1.00 0.02 0.02) = 0.038% 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 = 0.429, support = 2.6, residual support = 28.6: * O T HB3 CYS 21 - HB2 CYS 21 50.000% * 99.9617% (0.43 10.0 10.00 2.60 28.57) = 99.962% kept HG2 MET 96 - HB2 CYS 21 50.000% * 0.0383% (0.16 1.0 1.00 0.02 0.02) = 0.038% Peak 121 (3.08, 2.60, 28.30 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 2.6, residual support = 28.6: * O T HB2 CYS 21 - HB3 CYS 21 50.000% * 99.9722% (0.43 10.0 10.00 2.60 28.57) = 99.972% kept QE LYS+ 111 - HB3 CYS 21 50.000% * 0.0278% (0.12 1.0 1.00 0.02 0.02) = 0.028% Peak 122 (2.60, 2.60, 28.30 ppm): 1 diagonal assignment: * HB3 CYS 21 - HB3 CYS 21 (0.18) kept Peak 123 (4.68, 4.68, 56.96 ppm): 1 diagonal assignment: * HA HIS 22 - HA HIS 22 (0.78) kept Peak 124 (3.50, 4.68, 56.96 ppm): 2 chemical-shift based assignments, quality = 0.543, support = 2.21, residual support = 31.4: * O T HB2 HIS 22 - HA HIS 22 50.000% * 97.6946% (0.54 10.0 10.00 2.25 32.09) = 97.695% kept HA LEU 63 - HA HIS 22 50.000% * 2.3054% (0.88 1.0 1.00 0.29 0.26) = 2.305% kept Peak 125 (3.24, 4.68, 56.96 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 3.08, residual support = 32.1: * O T HB3 HIS 22 - HA HIS 22 50.000% * 99.9333% (0.88 10.0 10.00 3.08 32.09) = 99.933% kept HD3 ARG+ 54 - HA HIS 22 50.000% * 0.0667% (0.59 1.0 1.00 0.02 0.02) = 0.067% Peak 126 (4.68, 3.50, 29.58 ppm): 3 chemical-shift based assignments, quality = 0.534, support = 2.25, residual support = 32.0: * O T HA HIS 22 - HB2 HIS 22 33.333% * 99.7894% (0.54 10.0 10.00 2.25 32.09) = 99.789% kept HA ASN 69 - HB2 HIS 22 33.333% * 0.1108% (0.59 1.0 1.00 0.02 0.02) = 0.111% HA VAL 43 - HB2 HIS 22 33.333% * 0.0998% (0.54 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 (0.37) kept Peak 128 (3.24, 3.50, 29.58 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 3.89, residual support = 32.1: * O T HB3 HIS 22 - HB2 HIS 22 50.000% * 99.9333% (0.61 10.0 10.00 3.89 32.09) = 99.933% kept HD3 ARG+ 54 - HB2 HIS 22 50.000% * 0.0667% (0.40 1.0 1.00 0.02 0.02) = 0.067% Peak 129 (4.68, 3.24, 29.58 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 3.07, residual support = 32.0: * O T HA HIS 22 - HB3 HIS 22 33.333% * 99.7894% (0.88 10.0 10.00 3.08 32.09) = 99.789% kept HA ASN 69 - HB3 HIS 22 33.333% * 0.1108% (0.98 1.0 1.00 0.02 0.02) = 0.111% HA VAL 43 - HB3 HIS 22 33.333% * 0.0998% (0.88 1.0 1.00 0.02 0.02) = 0.100% Peak 130 (3.50, 3.24, 29.58 ppm): 2 chemical-shift based assignments, quality = 0.615, support = 3.81, residual support = 31.4: * O T HB2 HIS 22 - HB3 HIS 22 50.000% * 97.6946% (0.61 10.0 10.00 3.89 32.09) = 97.695% kept HA LEU 63 - HB3 HIS 22 50.000% * 2.3054% (1.00 1.0 1.00 0.29 0.26) = 2.305% kept 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 (0.37) kept Peak 133 (1.28, 4.83, 58.62 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 1.93, residual support = 8.47: * O T QG2 THR 23 - HA THR 23 25.000% * 99.8795% (0.61 10.0 10.00 1.93 8.49) = 99.879% kept QB ALA 34 - HA THR 23 25.000% * 0.0666% (0.40 1.0 1.00 0.02 0.02) = 0.067% QG2 ILE 56 - HA THR 23 25.000% * 0.0375% (0.23 1.0 1.00 0.02 0.02) = 0.037% HG3 LYS+ 38 - HA THR 23 25.000% * 0.0164% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 134 (4.83, 1.28, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 1.93, residual support = 8.47: * O T HA THR 23 - QG2 THR 23 50.000% * 99.8387% (0.61 10.0 10.00 1.93 8.49) = 99.839% kept HA ASP- 78 - QG2 THR 23 50.000% * 0.1613% (0.98 1.0 1.00 0.02 0.02) = 0.161% 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): 4 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 56.8: * O T QG1 VAL 24 - HA VAL 24 25.000% * 99.8216% (1.00 10.0 10.00 3.43 56.88) = 99.822% kept HD3 LYS+ 112 - HA VAL 24 25.000% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG1 VAL 107 - HA VAL 24 25.000% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 31 - HA VAL 24 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 138 (3.77, 1.10, 23.10 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 56.9: * O T HA VAL 24 - QG1 VAL 24 50.000% * 99.9625% (1.00 10.0 10.00 3.43 56.88) = 99.962% kept HA LYS+ 38 - QG1 VAL 24 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% 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 (0.06) kept Peak 141 (2.20, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 4.89, residual support = 112.9: * O T HB2 GLU- 25 - HA GLU- 25 12.500% * 98.9210% (1.00 10.0 10.00 4.94 114.09) = 98.921% kept HB VAL 70 - HA GLU- 25 12.500% * 0.7491% (0.88 1.0 1.00 0.17 0.02) = 0.749% T HB2 GLU- 25 - HA SER 82 12.500% * 0.1715% (0.17 1.0 10.00 0.02 0.02) = 0.172% QG GLN 17 - HA GLU- 25 12.500% * 0.0946% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 MET 96 - HA GLU- 25 12.500% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% QG GLN 17 - HA SER 82 12.500% * 0.0164% (0.17 1.0 1.00 0.02 0.02) = 0.016% HB VAL 70 - HA SER 82 12.500% * 0.0151% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 MET 96 - HA SER 82 12.500% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 142 (2.01, 4.18, 61.45 ppm): 16 chemical-shift based assignments, quality = 0.985, support = 4.62, residual support = 109.9: * O T HB3 GLU- 25 - HA GLU- 25 6.250% * 96.3266% (1.00 10.0 10.00 4.79 114.09) = 96.327% kept HB2 LYS+ 111 - HA GLU- 25 6.250% * 1.6229% (0.78 1.0 1.00 0.43 0.02) = 1.623% kept HB2 GLN 17 - HA GLU- 25 6.250% * 1.0601% (0.88 1.0 1.00 0.25 0.02) = 1.060% kept T HB ILE 19 - HA GLU- 25 6.250% * 0.5260% (0.55 1.0 10.00 0.02 0.02) = 0.526% T HB3 GLU- 25 - HA SER 82 6.250% * 0.1670% (0.17 1.0 10.00 0.02 0.02) = 0.167% QB GLU- 15 - HA GLU- 25 6.250% * 0.0850% (0.88 1.0 1.00 0.02 0.02) = 0.085% QB GLU- 114 - HA GLU- 25 6.250% * 0.0642% (0.67 1.0 1.00 0.02 0.36) = 0.064% HG2 PRO 68 - HA GLU- 25 6.250% * 0.0414% (0.43 1.0 1.00 0.02 0.02) = 0.041% HB3 PRO 68 - HA GLU- 25 6.250% * 0.0313% (0.32 1.0 1.00 0.02 0.02) = 0.031% HB2 GLN 17 - HA SER 82 6.250% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% QB GLU- 15 - HA SER 82 6.250% * 0.0147% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 111 - HA SER 82 6.250% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% QB GLU- 114 - HA SER 82 6.250% * 0.0111% (0.12 1.0 1.00 0.02 0.02) = 0.011% HB ILE 19 - HA SER 82 6.250% * 0.0091% (0.09 1.0 1.00 0.02 0.18) = 0.009% HG2 PRO 68 - HA SER 82 6.250% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 PRO 68 - HA SER 82 6.250% * 0.0054% (0.06 1.0 1.00 0.02 0.02) = 0.005% Peak 143 (2.52, 4.18, 61.45 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 113.9: * O T HG2 GLU- 25 - HA GLU- 25 25.000% * 99.8077% (1.00 10.0 10.00 4.31 114.09) = 99.808% kept T HG2 GLU- 25 - HA SER 82 25.000% * 0.1731% (0.17 1.0 10.00 0.02 0.02) = 0.173% HB3 TRP 87 - HA GLU- 25 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 TRP 87 - HA SER 82 25.000% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 144 (2.33, 4.18, 61.45 ppm): 12 chemical-shift based assignments, quality = 0.996, support = 3.68, residual support = 113.7: * O T HG3 GLU- 25 - HA GLU- 25 8.333% * 99.6201% (1.00 10.0 10.00 3.69 114.09) = 99.620% kept T HG3 GLU- 25 - HA SER 82 8.333% * 0.1727% (0.17 1.0 10.00 0.02 0.02) = 0.173% HG2 PRO 52 - HA GLU- 25 8.333% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HA GLU- 25 8.333% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QG GLU- 114 - HA GLU- 25 8.333% * 0.0235% (0.24 1.0 1.00 0.02 0.36) = 0.023% HG3 GLU- 36 - HA GLU- 25 8.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 MET 92 - HA GLU- 25 8.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 PRO 52 - HA SER 82 8.333% * 0.0152% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 GLU- 79 - HA SER 82 8.333% * 0.0056% (0.06 1.0 1.00 0.02 0.02) = 0.006% QG GLU- 114 - HA SER 82 8.333% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HG3 GLU- 36 - HA SER 82 8.333% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG2 MET 92 - HA SER 82 8.333% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 145 (4.18, 2.20, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.996, support = 4.92, residual support = 113.6: * O T HA GLU- 25 - HB2 GLU- 25 25.000% * 99.5509% (1.00 10.0 10.00 4.94 114.09) = 99.551% kept T HA SER 82 - HB2 GLU- 25 25.000% * 0.3232% (0.32 1.0 10.00 0.02 0.02) = 0.323% HA ILE 19 - HB2 GLU- 25 25.000% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA CYS 53 - HB2 GLU- 25 25.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% 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): 8 chemical-shift based assignments, quality = 0.976, support = 4.26, residual support = 102.0: * O T HB3 GLU- 25 - HB2 GLU- 25 12.500% * 89.4216% (1.00 10.0 10.00 4.74 114.09) = 89.422% kept T HB2 GLN 17 - HB2 GLU- 25 12.500% * 9.2821% (0.88 1.0 10.00 0.24 0.02) = 9.282% kept T QB GLU- 15 - HB2 GLU- 25 12.500% * 0.7891% (0.88 1.0 10.00 0.02 0.02) = 0.789% T HB3 PRO 68 - HB2 GLU- 25 12.500% * 0.2903% (0.32 1.0 10.00 0.02 0.02) = 0.290% HB2 LYS+ 111 - HB2 GLU- 25 12.500% * 0.0700% (0.78 1.0 1.00 0.02 0.02) = 0.070% QB GLU- 114 - HB2 GLU- 25 12.500% * 0.0596% (0.67 1.0 1.00 0.02 0.36) = 0.060% HB ILE 19 - HB2 GLU- 25 12.500% * 0.0488% (0.55 1.0 1.00 0.02 0.02) = 0.049% HG2 PRO 68 - HB2 GLU- 25 12.500% * 0.0384% (0.43 1.0 1.00 0.02 0.02) = 0.038% Peak 148 (2.52, 2.20, 28.95 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 114.1: * O T HG2 GLU- 25 - HB2 GLU- 25 50.000% * 99.9836% (1.00 10.0 10.00 4.30 114.09) = 99.984% kept HB3 TRP 87 - HB2 GLU- 25 50.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 149 (2.33, 2.20, 28.95 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 113.9: * O T HG3 GLU- 25 - HB2 GLU- 25 16.667% * 99.8231% (1.00 10.0 10.00 3.70 114.09) = 99.823% kept HG2 PRO 52 - HB2 GLU- 25 16.667% * 0.0881% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HB2 GLU- 25 16.667% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QG GLU- 114 - HB2 GLU- 25 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.36) = 0.024% HG2 MET 92 - HB2 GLU- 25 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 36 - HB2 GLU- 25 16.667% * 0.0164% (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 = 0.988, support = 4.73, residual support = 112.7: * O T HA GLU- 25 - HB3 GLU- 25 25.000% * 98.8114% (1.00 10.0 10.00 4.79 114.09) = 98.811% kept T HA ILE 19 - HB3 GLU- 25 25.000% * 0.8253% (0.84 1.0 10.00 0.02 0.02) = 0.825% T HA SER 82 - HB3 GLU- 25 25.000% * 0.3208% (0.32 1.0 10.00 0.02 0.02) = 0.321% HA CYS 53 - HB3 GLU- 25 25.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 151 (2.20, 2.01, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.957, support = 3.57, residual support = 78.3: * O T HB2 GLU- 25 - HB3 GLU- 25 25.000% * 68.6236% (1.00 10.0 10.00 4.74 114.09) = 68.624% kept T HB VAL 70 - HB3 GLU- 25 25.000% * 30.7013% (0.88 1.0 10.00 1.01 0.02) = 30.701% kept T QG GLN 17 - HB3 GLU- 25 25.000% * 0.6560% (0.96 1.0 10.00 0.02 0.02) = 0.656% HB2 MET 96 - HB3 GLU- 25 25.000% * 0.0191% (0.28 1.0 1.00 0.02 0.02) = 0.019% 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): 2 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 114.1: * O T HG2 GLU- 25 - HB3 GLU- 25 50.000% * 99.9836% (1.00 10.0 10.00 4.25 114.09) = 99.984% kept HB3 TRP 87 - HB3 GLU- 25 50.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 154 (2.33, 2.01, 28.95 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 3.58, residual support = 112.6: * O T HG3 GLU- 25 - HB3 GLU- 25 16.667% * 98.7290% (1.00 10.0 10.00 3.62 114.09) = 98.729% kept T QG GLU- 114 - HB3 GLU- 25 16.667% * 1.1194% (0.24 1.0 10.00 0.10 0.36) = 1.119% kept HG2 PRO 52 - HB3 GLU- 25 16.667% * 0.0871% (0.88 1.0 1.00 0.02 0.02) = 0.087% HB2 GLU- 79 - HB3 GLU- 25 16.667% * 0.0321% (0.32 1.0 1.00 0.02 0.02) = 0.032% HG3 GLU- 36 - HB3 GLU- 25 16.667% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 MET 92 - HB3 GLU- 25 16.667% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 155 (4.18, 2.52, 37.82 ppm): 4 chemical-shift based assignments, quality = 0.996, support = 4.29, residual support = 113.6: * O T HA GLU- 25 - HG2 GLU- 25 25.000% * 99.5509% (1.00 10.0 10.00 4.31 114.09) = 99.551% kept T HA SER 82 - HG2 GLU- 25 25.000% * 0.3232% (0.32 1.0 10.00 0.02 0.02) = 0.323% HA ILE 19 - HG2 GLU- 25 25.000% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA CYS 53 - HG2 GLU- 25 25.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 156 (2.20, 2.52, 37.82 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 4.25, residual support = 112.8: * O T HB2 GLU- 25 - HG2 GLU- 25 25.000% * 98.8990% (1.00 10.0 10.00 4.30 114.09) = 98.899% kept HB2 MET 96 - HG2 GLU- 25 25.000% * 0.9191% (0.28 1.0 1.00 0.67 0.02) = 0.919% QG GLN 17 - HG2 GLU- 25 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB VAL 70 - HG2 GLU- 25 25.000% * 0.0873% (0.88 1.0 1.00 0.02 0.02) = 0.087% Peak 157 (2.01, 2.52, 37.82 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 4.23, residual support = 113.6: * O T HB3 GLU- 25 - HG2 GLU- 25 12.500% * 99.5505% (1.00 10.0 10.00 4.25 114.09) = 99.551% kept QB GLU- 15 - HG2 GLU- 25 12.500% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLN 17 - HG2 GLU- 25 12.500% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 LYS+ 111 - HG2 GLU- 25 12.500% * 0.0779% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB GLU- 114 - HG2 GLU- 25 12.500% * 0.0664% (0.67 1.0 1.00 0.02 0.36) = 0.066% HB ILE 19 - HG2 GLU- 25 12.500% * 0.0544% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 PRO 68 - HG2 GLU- 25 12.500% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 PRO 68 - HG2 GLU- 25 12.500% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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): 6 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 113.9: * O T HG3 GLU- 25 - HG2 GLU- 25 16.667% * 99.8231% (1.00 10.0 10.00 3.31 114.09) = 99.823% kept HG2 PRO 52 - HG2 GLU- 25 16.667% * 0.0881% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HG2 GLU- 25 16.667% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QG GLU- 114 - HG2 GLU- 25 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.36) = 0.024% HG2 MET 92 - HG2 GLU- 25 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG3 GLU- 36 - HG2 GLU- 25 16.667% * 0.0164% (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 = 0.996, support = 3.67, residual support = 113.6: * O T HA GLU- 25 - HG3 GLU- 25 25.000% * 99.5509% (1.00 10.0 10.00 3.69 114.09) = 99.551% kept T HA SER 82 - HG3 GLU- 25 25.000% * 0.3232% (0.32 1.0 10.00 0.02 0.02) = 0.323% HA ILE 19 - HG3 GLU- 25 25.000% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA CYS 53 - HG3 GLU- 25 25.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 161 (2.20, 2.33, 37.82 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 113.9: * O T HB2 GLU- 25 - HG3 GLU- 25 25.000% * 99.7888% (1.00 10.0 10.00 3.70 114.09) = 99.789% kept QG GLN 17 - HG3 GLU- 25 25.000% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB VAL 70 - HG3 GLU- 25 25.000% * 0.0881% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 MET 96 - HG3 GLU- 25 25.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 162 (2.01, 2.33, 37.82 ppm): 8 chemical-shift based assignments, quality = 0.916, support = 2.97, residual support = 86.1: * O T HB3 GLU- 25 - HG3 GLU- 25 12.500% * 75.3986% (1.00 10.0 10.00 3.62 114.09) = 75.399% kept T QB GLU- 114 - HG3 GLU- 25 12.500% * 24.3112% (0.67 1.0 10.00 0.97 0.36) = 24.311% kept QB GLU- 15 - HG3 GLU- 25 12.500% * 0.0665% (0.88 1.0 1.00 0.02 0.02) = 0.067% HB2 GLN 17 - HG3 GLU- 25 12.500% * 0.0665% (0.88 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 111 - HG3 GLU- 25 12.500% * 0.0590% (0.78 1.0 1.00 0.02 0.02) = 0.059% HB ILE 19 - HG3 GLU- 25 12.500% * 0.0412% (0.55 1.0 1.00 0.02 0.02) = 0.041% HG2 PRO 68 - HG3 GLU- 25 12.500% * 0.0324% (0.43 1.0 1.00 0.02 0.02) = 0.032% HB3 PRO 68 - HG3 GLU- 25 12.500% * 0.0245% (0.32 1.0 1.00 0.02 0.02) = 0.024% Peak 163 (2.52, 2.33, 37.82 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 114.1: * O T HG2 GLU- 25 - HG3 GLU- 25 50.000% * 99.9836% (1.00 10.0 10.00 3.31 114.09) = 99.984% kept HB3 TRP 87 - HG3 GLU- 25 50.000% * 0.0164% (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 = 0.999, support = 2.8, residual support = 22.8: * O T HB THR 26 - HA THR 26 33.333% * 99.8560% (1.00 10.0 10.00 2.81 22.87) = 99.856% kept HA ASP- 62 - HA THR 26 33.333% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 117 - HA THR 26 33.333% * 0.0606% (0.61 1.0 1.00 0.02 0.29) = 0.061% Peak 167 (1.50, 4.15, 66.74 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 2.44, residual support = 22.1: * O T QG2 THR 26 - HA THR 26 20.000% * 96.6775% (1.00 10.0 10.00 2.51 22.87) = 96.677% kept HB2 LYS+ 74 - HA THR 26 20.000% * 2.0328% (0.78 1.0 1.00 0.54 0.11) = 2.033% kept HG2 LYS+ 65 - HA THR 26 20.000% * 1.1642% (0.98 1.0 1.00 0.25 0.29) = 1.164% kept HD2 LYS+ 121 - HA THR 26 20.000% * 0.0892% (0.92 1.0 1.00 0.02 0.02) = 0.089% QD LYS+ 66 - HA THR 26 20.000% * 0.0363% (0.38 1.0 1.00 0.02 0.02) = 0.036% Peak 168 (4.15, 4.23, 69.37 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 2.8, residual support = 22.8: * O T HA THR 26 - HB THR 26 20.000% * 99.8510% (1.00 10.0 10.00 2.81 22.87) = 99.851% kept HA GLU- 114 - HB THR 26 20.000% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HA1 GLY 101 - HB THR 26 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 34 - HB THR 26 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA CYS 53 - HB THR 26 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 5 chemical-shift based assignments, quality = 0.986, support = 2.66, residual support = 21.0: * O T QG2 THR 26 - HB THR 26 20.000% * 91.8475% (1.00 10.0 10.00 2.82 22.87) = 91.847% kept HG2 LYS+ 65 - HB THR 26 20.000% * 5.1180% (0.98 1.0 1.00 1.14 0.29) = 5.118% kept HB2 LYS+ 74 - HB THR 26 20.000% * 2.2131% (0.78 1.0 1.00 0.62 0.11) = 2.213% kept QD LYS+ 66 - HB THR 26 20.000% * 0.7367% (0.38 1.0 1.00 0.43 0.02) = 0.737% HD2 LYS+ 121 - HB THR 26 20.000% * 0.0848% (0.92 1.0 1.00 0.02 0.02) = 0.085% Peak 171 (4.15, 1.50, 23.02 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 2.51, residual support = 22.8: * O T HA THR 26 - QG2 THR 26 20.000% * 99.8510% (1.00 10.0 10.00 2.51 22.87) = 99.851% kept HA GLU- 114 - QG2 THR 26 20.000% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HA1 GLY 101 - QG2 THR 26 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 34 - QG2 THR 26 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA CYS 53 - QG2 THR 26 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 172 (4.23, 1.50, 23.02 ppm): 3 chemical-shift based assignments, quality = 0.996, support = 2.81, residual support = 22.8: * O T HB THR 26 - QG2 THR 26 33.333% * 99.6306% (1.00 10.0 10.00 2.82 22.87) = 99.631% kept HA SER 117 - QG2 THR 26 33.333% * 0.2862% (0.61 1.0 1.00 0.09 0.29) = 0.286% HA ASP- 62 - QG2 THR 26 33.333% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% 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 = 4.67, residual support = 89.6: * O T HB2 TRP 27 - HA TRP 27 33.333% * 99.8837% (1.00 10.0 10.00 4.67 89.72) = 99.884% 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% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 176 (2.99, 4.49, 60.67 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.55, residual support = 89.6: * O T HB3 TRP 27 - HA TRP 27 20.000% * 99.8216% (1.00 10.0 10.00 4.56 89.72) = 99.822% kept HB2 PHE 97 - HA TRP 27 20.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HA TRP 27 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 PHE 60 - HA TRP 27 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% QE LYS+ 99 - HA TRP 27 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 177 (4.49, 3.56, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 89.6: * O T HA TRP 27 - HB2 TRP 27 25.000% * 99.8325% (1.00 10.0 10.00 4.67 89.72) = 99.833% kept HA ALA 91 - HB2 TRP 27 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA VAL 107 - HB2 TRP 27 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.29) = 0.061% HA PRO 52 - HB2 TRP 27 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% 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 = 4.97, residual support = 89.6: * O T HB3 TRP 27 - HB2 TRP 27 20.000% * 99.8216% (1.00 10.0 10.00 4.97 89.72) = 99.822% kept HB2 PHE 97 - HB2 TRP 27 20.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HB2 TRP 27 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 PHE 60 - HB2 TRP 27 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% QE LYS+ 99 - HB2 TRP 27 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 180 (4.49, 2.99, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.55, residual support = 89.6: * O T HA TRP 27 - HB3 TRP 27 25.000% * 99.8325% (1.00 10.0 10.00 4.56 89.72) = 99.833% kept HA ALA 91 - HB3 TRP 27 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA VAL 107 - HB3 TRP 27 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.29) = 0.061% HA PRO 52 - HB3 TRP 27 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 181 (3.56, 2.99, 30.32 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.97, residual support = 89.6: * O T HB2 TRP 27 - HB3 TRP 27 33.333% * 99.8837% (1.00 10.0 10.00 4.97 89.72) = 99.884% 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% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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 = 0.984, support = 3.73, residual support = 86.4: * O T HB2 ASN 28 - HA ASN 28 16.667% * 98.3666% (1.00 10.0 10.00 3.80 87.83) = 98.367% kept HB2 ASP- 86 - HA ASN 28 16.667% * 0.8307% (0.61 1.0 1.00 0.28 0.02) = 0.831% QE LYS+ 33 - HA ASN 28 16.667% * 0.5269% (0.96 1.0 1.00 0.11 0.02) = 0.527% T HB2 ASN 35 - HA ASN 28 16.667% * 0.1618% (0.16 1.0 10.00 0.02 0.21) = 0.162% QE LYS+ 65 - HA ASN 28 16.667% * 0.0908% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 ASP- 78 - HA ASN 28 16.667% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 185 (2.73, 4.13, 56.27 ppm): 3 chemical-shift based assignments, quality = 0.985, support = 3.74, residual support = 80.1: * O T HB3 ASN 28 - HA ASN 28 33.333% * 90.8607% (1.00 10.0 10.00 3.88 87.83) = 90.861% kept HG2 GLN 30 - HA ASN 28 33.333% * 9.1244% (0.84 1.0 1.00 2.40 2.78) = 9.124% kept QE LYS+ 121 - HA ASN 28 33.333% * 0.0149% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 186 (4.13, 2.93, 38.30 ppm): 14 chemical-shift based assignments, quality = 0.981, support = 3.71, residual support = 84.9: * O T HA ASN 28 - HB2 ASN 28 7.143% * 96.4662% (1.00 10.0 10.00 3.80 87.83) = 96.466% kept HA ALA 34 - HB2 ASN 28 7.143% * 1.6847% (0.88 1.0 1.00 0.40 0.02) = 1.685% kept HA ALA 34 - HB2 ASN 35 7.143% * 1.4608% (0.10 1.0 1.00 3.01 13.65) = 1.461% kept T HA ASN 28 - HB2 ASN 35 7.143% * 0.1101% (0.11 1.0 10.00 0.02 0.21) = 0.110% HA LEU 115 - HB2 ASN 28 7.143% * 0.0960% (1.00 1.0 1.00 0.02 0.58) = 0.096% HA1 GLY 101 - HB2 ASN 28 7.143% * 0.0585% (0.61 1.0 1.00 0.02 0.02) = 0.059% HA GLU- 114 - HB2 ASN 28 7.143% * 0.0362% (0.38 1.0 1.00 0.02 0.02) = 0.036% HA ARG+ 54 - HB2 ASN 28 7.143% * 0.0362% (0.38 1.0 1.00 0.02 0.02) = 0.036% HA ALA 124 - HB2 ASN 28 7.143% * 0.0227% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA LEU 115 - HB2 ASN 35 7.143% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA1 GLY 101 - HB2 ASN 35 7.143% * 0.0067% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA ARG+ 54 - HB2 ASN 35 7.143% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA GLU- 114 - HB2 ASN 35 7.143% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA ALA 124 - HB2 ASN 35 7.143% * 0.0026% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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 (0.02) kept Peak 188 (2.73, 2.93, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 4.54, residual support = 85.5: * O T HB3 ASN 28 - HB2 ASN 28 16.667% * 97.2800% (1.00 10.0 10.00 4.64 87.83) = 97.280% kept HG2 GLN 30 - HB2 ASN 28 16.667% * 2.5819% (0.84 1.0 1.00 0.64 2.78) = 2.582% kept T HB3 ASN 28 - HB2 ASN 35 16.667% * 0.1110% (0.11 1.0 10.00 0.02 0.21) = 0.111% QE LYS+ 121 - HB2 ASN 28 16.667% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 GLN 30 - HB2 ASN 35 16.667% * 0.0093% (0.10 1.0 1.00 0.02 0.02) = 0.009% QE LYS+ 121 - HB2 ASN 35 16.667% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 189 (4.13, 2.73, 38.30 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 3.87, residual support = 87.5: * O T HA ASN 28 - HB3 ASN 28 14.286% * 99.6542% (1.00 10.0 10.00 3.88 87.83) = 99.654% kept HA LEU 115 - HB3 ASN 28 14.286% * 0.0992% (1.00 1.0 1.00 0.02 0.58) = 0.099% HA ALA 34 - HB3 ASN 28 14.286% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA1 GLY 101 - HB3 ASN 28 14.286% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA ARG+ 54 - HB3 ASN 28 14.286% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA GLU- 114 - HB3 ASN 28 14.286% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA ALA 124 - HB3 ASN 28 14.286% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 190 (2.93, 2.73, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.985, support = 4.58, residual support = 86.6: * O T HB2 ASN 28 - HB3 ASN 28 16.667% * 98.5468% (1.00 10.0 10.00 4.64 87.83) = 98.547% kept HB2 ASP- 86 - HB3 ASN 28 16.667% * 0.6491% (0.61 1.0 1.00 0.22 0.02) = 0.649% QE LYS+ 33 - HB3 ASN 28 16.667% * 0.5279% (0.96 1.0 1.00 0.11 0.02) = 0.528% T HB2 ASN 35 - HB3 ASN 28 16.667% * 0.1621% (0.16 1.0 10.00 0.02 0.21) = 0.162% QE LYS+ 65 - HB3 ASN 28 16.667% * 0.0910% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 ASP- 78 - HB3 ASN 28 16.667% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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 (0.23) kept HA GLN 32 - HA GLN 32 (0.01) kept Peak 193 (2.25, 4.00, 59.66 ppm): 18 chemical-shift based assignments, quality = 0.989, support = 4.37, residual support = 66.0: * O T HB2 GLU- 29 - HA GLU- 29 5.556% * 99.3544% (1.00 10.0 10.00 4.40 66.47) = 99.354% kept T HB2 GLU- 29 - HA LYS+ 33 5.556% * 0.2549% (0.26 1.0 10.00 0.02 0.02) = 0.255% HG3 MET 92 - HA GLU- 29 5.556% * 0.0950% (0.95 1.0 1.00 0.02 0.02) = 0.095% T HB2 GLU- 29 - HA GLN 32 5.556% * 0.0819% (0.08 1.0 10.00 0.02 0.02) = 0.082% HG12 ILE 119 - HA GLU- 29 5.556% * 0.0603% (0.60 1.0 1.00 0.02 0.02) = 0.060% HB2 ASP- 105 - HA GLU- 29 5.556% * 0.0427% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG3 MET 92 - HA LYS+ 33 5.556% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 ASP- 76 - HA GLU- 29 5.556% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% QG GLN 90 - HA GLU- 29 5.556% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 119 - HA LYS+ 33 5.556% * 0.0155% (0.15 1.0 1.00 0.02 0.02) = 0.015% HB2 ASP- 105 - HA LYS+ 33 5.556% * 0.0110% (0.11 1.0 1.00 0.02 0.56) = 0.011% HG3 MET 92 - HA GLN 32 5.556% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG12 ILE 119 - HA GLN 32 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 ASP- 76 - HA LYS+ 33 5.556% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% QG GLN 90 - HA LYS+ 33 5.556% * 0.0042% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 ASP- 105 - HA GLN 32 5.556% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB3 ASP- 76 - HA GLN 32 5.556% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% QG GLN 90 - HA GLN 32 5.556% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 194 (2.16, 4.00, 59.66 ppm): 15 chemical-shift based assignments, quality = 0.846, support = 3.8, residual support = 66.4: * O HG3 GLU- 29 - HA GLU- 29 6.667% * 62.1437% (1.00 10.0 3.20 66.47) = 62.144% kept O HB3 GLU- 29 - HA GLU- 29 6.667% * 37.6921% (0.60 10.0 4.81 66.47) = 37.692% kept HB2 GLN 90 - HA GLU- 29 6.667% * 0.0548% (0.88 1.0 0.02 0.02) = 0.055% HB2 LYS+ 38 - HA GLU- 29 6.667% * 0.0302% (0.48 1.0 0.02 0.02) = 0.030% HG3 GLU- 29 - HA LYS+ 33 6.667% * 0.0159% (0.26 1.0 0.02 0.02) = 0.016% HB2 GLN 90 - HA LYS+ 33 6.667% * 0.0141% (0.23 1.0 0.02 0.02) = 0.014% QB GLU- 36 - HA GLU- 29 6.667% * 0.0123% (0.20 1.0 0.02 0.11) = 0.012% HB3 GLU- 29 - HA LYS+ 33 6.667% * 0.0097% (0.15 1.0 0.02 0.02) = 0.010% HB2 LYS+ 38 - HA LYS+ 33 6.667% * 0.0078% (0.12 1.0 0.02 0.02) = 0.008% HG3 GLU- 29 - HA GLN 32 6.667% * 0.0051% (0.08 1.0 0.02 0.02) = 0.005% HB2 GLN 90 - HA GLN 32 6.667% * 0.0045% (0.07 1.0 0.02 0.02) = 0.005% QB GLU- 36 - HA LYS+ 33 6.667% * 0.0032% (0.05 1.0 0.02 0.02) = 0.003% HB3 GLU- 29 - HA GLN 32 6.667% * 0.0031% (0.05 1.0 0.02 0.02) = 0.003% HB2 LYS+ 38 - HA GLN 32 6.667% * 0.0025% (0.04 1.0 0.02 0.02) = 0.002% QB GLU- 36 - HA GLN 32 6.667% * 0.0010% (0.02 1.0 0.02 0.02) = 0.001% Peak 195 (2.43, 4.00, 59.66 ppm): 15 chemical-shift based assignments, quality = 0.989, support = 4.31, residual support = 66.1: * O T HG2 GLU- 29 - HA GLU- 29 6.667% * 99.3971% (1.00 10.0 10.00 4.33 66.47) = 99.397% kept T HG2 GLU- 29 - HA LYS+ 33 6.667% * 0.2550% (0.26 1.0 10.00 0.02 0.02) = 0.255% HB3 ASP- 86 - HA GLU- 29 6.667% * 0.0918% (0.92 1.0 1.00 0.02 0.16) = 0.092% T HG2 GLU- 29 - HA GLN 32 6.667% * 0.0819% (0.08 1.0 10.00 0.02 0.02) = 0.082% QE LYS+ 112 - HA GLU- 29 6.667% * 0.0373% (0.37 1.0 1.00 0.02 0.55) = 0.037% HB3 PHE 45 - HA GLU- 29 6.667% * 0.0373% (0.37 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 62 - HA GLU- 29 6.667% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 ASP- 86 - HA LYS+ 33 6.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 PHE 45 - HA LYS+ 33 6.667% * 0.0096% (0.10 1.0 1.00 0.02 0.02) = 0.010% QE LYS+ 112 - HA LYS+ 33 6.667% * 0.0096% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 62 - HA LYS+ 33 6.667% * 0.0083% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 ASP- 86 - HA GLN 32 6.667% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% QE LYS+ 112 - HA GLN 32 6.667% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 PHE 45 - HA GLN 32 6.667% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 ASP- 62 - HA GLN 32 6.667% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 196 (4.00, 2.25, 30.32 ppm): 9 chemical-shift based assignments, quality = 0.981, support = 4.34, residual support = 65.6: * O T HA GLU- 29 - HB2 GLU- 29 11.111% * 98.6131% (1.00 10.0 10.00 4.40 66.47) = 98.613% kept T HA LYS+ 33 - HB2 GLU- 29 11.111% * 0.8746% (0.88 1.0 10.00 0.02 0.02) = 0.875% T HA GLN 32 - HB2 GLU- 29 11.111% * 0.1630% (0.16 1.0 10.00 0.02 0.02) = 0.163% HA VAL 18 - HB2 GLU- 29 11.111% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB2 SER 82 - HB2 GLU- 29 11.111% * 0.0971% (0.98 1.0 1.00 0.02 0.02) = 0.097% HA SER 48 - HB2 GLU- 29 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLN 116 - HB2 GLU- 29 11.111% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA VAL 70 - HB2 GLU- 29 11.111% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 88 - HB2 GLU- 29 11.111% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 5 chemical-shift based assignments, quality = 0.848, support = 3.18, residual support = 66.2: * O T HG3 GLU- 29 - HB2 GLU- 29 20.000% * 61.9878% (1.00 10.0 10.00 2.59 66.47) = 61.988% kept O HB3 GLU- 29 - HB2 GLU- 29 20.000% * 37.5975% (0.61 10.0 1.00 4.19 66.47) = 37.598% kept HB2 GLN 90 - HB2 GLU- 29 20.000% * 0.3722% (0.88 1.0 1.00 0.14 0.02) = 0.372% HB2 LYS+ 38 - HB2 GLU- 29 20.000% * 0.0302% (0.49 1.0 1.00 0.02 0.02) = 0.030% QB GLU- 36 - HB2 GLU- 29 20.000% * 0.0123% (0.20 1.0 1.00 0.02 0.11) = 0.012% Peak 199 (2.43, 2.25, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 3.97, residual support = 66.0: * O T HG2 GLU- 29 - HB2 GLU- 29 20.000% * 99.3153% (1.00 10.0 10.00 4.00 66.47) = 99.315% kept HB3 PHE 45 - HB2 GLU- 29 20.000% * 0.5235% (0.38 1.0 1.00 0.28 0.02) = 0.524% HB3 ASP- 86 - HB2 GLU- 29 20.000% * 0.0917% (0.92 1.0 1.00 0.02 0.16) = 0.092% QE LYS+ 112 - HB2 GLU- 29 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.55) = 0.037% HB3 ASP- 62 - HB2 GLU- 29 20.000% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 204 (4.00, 2.43, 36.74 ppm): 9 chemical-shift based assignments, quality = 0.981, support = 4.27, residual support = 65.6: * O T HA GLU- 29 - HG2 GLU- 29 11.111% * 98.6131% (1.00 10.0 10.00 4.33 66.47) = 98.613% kept T HA LYS+ 33 - HG2 GLU- 29 11.111% * 0.8746% (0.88 1.0 10.00 0.02 0.02) = 0.875% T HA GLN 32 - HG2 GLU- 29 11.111% * 0.1630% (0.16 1.0 10.00 0.02 0.02) = 0.163% HA VAL 18 - HG2 GLU- 29 11.111% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB2 SER 82 - HG2 GLU- 29 11.111% * 0.0971% (0.98 1.0 1.00 0.02 0.02) = 0.097% HA SER 48 - HG2 GLU- 29 11.111% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA GLN 116 - HG2 GLU- 29 11.111% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA VAL 70 - HG2 GLU- 29 11.111% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 88 - HG2 GLU- 29 11.111% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 205 (2.25, 2.43, 36.74 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 66.3: * O T HB2 GLU- 29 - HG2 GLU- 29 16.667% * 99.7684% (1.00 10.0 10.00 4.00 66.47) = 99.768% kept HG3 MET 92 - HG2 GLU- 29 16.667% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HG12 ILE 119 - HG2 GLU- 29 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% HB2 ASP- 105 - HG2 GLU- 29 16.667% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HG2 GLU- 29 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% QG GLN 90 - HG2 GLU- 29 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 206 (2.16, 2.43, 36.74 ppm): 5 chemical-shift based assignments, quality = 0.85, support = 3.71, residual support = 66.3: * O T HG3 GLU- 29 - HG2 GLU- 29 20.000% * 62.1165% (1.00 10.0 10.00 3.47 66.47) = 62.116% kept O T HB3 GLU- 29 - HG2 GLU- 29 20.000% * 37.6755% (0.61 10.0 10.00 4.12 66.47) = 37.676% kept T QB GLU- 36 - HG2 GLU- 29 20.000% * 0.1229% (0.20 1.0 10.00 0.02 0.11) = 0.123% HB2 GLN 90 - HG2 GLU- 29 20.000% * 0.0548% (0.88 1.0 1.00 0.02 0.02) = 0.055% HB2 LYS+ 38 - HG2 GLU- 29 20.000% * 0.0302% (0.49 1.0 1.00 0.02 0.02) = 0.030% 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 = 0.883, support = 4.66, residual support = 128.7: * O T HB2 GLN 30 - HA GLN 30 12.500% * 57.7979% (1.00 10.0 10.00 4.43 129.04) = 57.798% kept O T HG3 GLN 30 - HA GLN 30 12.500% * 41.9699% (0.73 10.0 10.00 5.00 129.04) = 41.970% kept HB ILE 119 - HA GLN 30 12.500% * 0.0578% (1.00 1.0 1.00 0.02 0.75) = 0.058% HB3 GLU- 100 - HA GLN 30 12.500% * 0.0567% (0.98 1.0 1.00 0.02 0.02) = 0.057% HB VAL 108 - HA GLN 30 12.500% * 0.0483% (0.84 1.0 1.00 0.02 0.02) = 0.048% HB2 ARG+ 54 - HA GLN 30 12.500% * 0.0420% (0.73 1.0 1.00 0.02 0.97) = 0.042% HB2 PRO 93 - HA GLN 30 12.500% * 0.0161% (0.28 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 68 - HA GLN 30 12.500% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% Peak 210 (1.89, 3.84, 58.37 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 4.84, residual support = 128.6: * O T HB3 GLN 30 - HA GLN 30 20.000% * 99.6870% (1.00 10.0 10.00 4.86 129.04) = 99.687% kept HB2 MET 92 - HA GLN 30 20.000% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 LYS+ 38 - HA GLN 30 20.000% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB3 PRO 58 - HA GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB ILE 56 - HA GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 1.05) = 0.066% Peak 211 (2.73, 3.84, 58.37 ppm): 3 chemical-shift based assignments, quality = 0.991, support = 5.55, residual support = 122.5: * O T HG2 GLN 30 - HA GLN 30 33.333% * 94.8411% (1.00 10.0 10.00 5.78 129.04) = 94.841% kept HB3 ASN 28 - HA GLN 30 33.333% * 5.1181% (0.84 1.0 1.00 1.29 2.78) = 5.118% kept QE LYS+ 121 - HA GLN 30 33.333% * 0.0407% (0.43 1.0 1.00 0.02 1.91) = 0.041% Peak 212 (3.84, 2.04, 28.09 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 128.8: * O T HA GLN 30 - HB2 GLN 30 25.000% * 99.8199% (1.00 10.0 10.00 4.43 129.04) = 99.820% kept HD3 PRO 52 - HB2 GLN 30 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HB2 GLN 30 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB3 SER 82 - HB2 GLN 30 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% 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): 5 chemical-shift based assignments, quality = 0.997, support = 4.35, residual support = 128.6: * O T HB3 GLN 30 - HB2 GLN 30 20.000% * 99.6870% (1.00 10.0 10.00 4.37 129.04) = 99.687% kept HB2 MET 92 - HB2 GLN 30 20.000% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 LYS+ 38 - HB2 GLN 30 20.000% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB3 PRO 58 - HB2 GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB ILE 56 - HB2 GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 1.05) = 0.066% Peak 215 (2.73, 2.04, 28.09 ppm): 3 chemical-shift based assignments, quality = 0.988, support = 5.06, residual support = 123.2: * O T HG2 GLN 30 - HB2 GLN 30 33.333% * 95.3541% (1.00 10.0 10.00 5.27 129.04) = 95.354% kept HB3 ASN 28 - HB2 GLN 30 33.333% * 3.5555% (0.84 1.0 1.00 0.89 2.78) = 3.555% kept QE LYS+ 121 - HB2 GLN 30 33.333% * 1.0904% (0.43 1.0 1.00 0.53 1.91) = 1.090% kept Peak 216 (3.84, 1.89, 28.09 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.85, residual support = 128.8: * O T HA GLN 30 - HB3 GLN 30 25.000% * 99.8199% (1.00 10.0 10.00 4.86 129.04) = 99.820% kept HD3 PRO 52 - HB3 GLN 30 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HB3 GLN 30 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB3 SER 82 - HB3 GLN 30 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 217 (2.04, 1.89, 28.09 ppm): 8 chemical-shift based assignments, quality = 0.881, support = 4.56, residual support = 128.6: * O T HB2 GLN 30 - HB3 GLN 30 12.500% * 57.7132% (1.00 10.0 10.00 4.37 129.04) = 57.713% kept O HG3 GLN 30 - HB3 GLN 30 12.500% * 41.9084% (0.73 10.0 1.00 4.86 129.04) = 41.908% kept HB VAL 108 - HB3 GLN 30 12.500% * 0.1947% (0.84 1.0 1.00 0.08 0.02) = 0.195% HB ILE 119 - HB3 GLN 30 12.500% * 0.0577% (1.00 1.0 1.00 0.02 0.75) = 0.058% HB3 GLU- 100 - HB3 GLN 30 12.500% * 0.0566% (0.98 1.0 1.00 0.02 0.02) = 0.057% HB2 ARG+ 54 - HB3 GLN 30 12.500% * 0.0419% (0.73 1.0 1.00 0.02 0.97) = 0.042% HB2 PRO 93 - HB3 GLN 30 12.500% * 0.0160% (0.28 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 68 - HB3 GLN 30 12.500% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% 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): 3 chemical-shift based assignments, quality = 0.986, support = 5.41, residual support = 121.9: * O T HG2 GLN 30 - HB3 GLN 30 33.333% * 94.3584% (1.00 10.0 10.00 5.67 129.04) = 94.358% kept HB3 ASN 28 - HB3 GLN 30 33.333% * 4.5984% (0.84 1.0 1.00 1.17 2.78) = 4.598% kept QE LYS+ 121 - HB3 GLN 30 33.333% * 1.0432% (0.43 1.0 1.00 0.51 1.91) = 1.043% kept Peak 220 (3.84, 2.73, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 128.8: * O T HA GLN 30 - HG2 GLN 30 25.000% * 99.8199% (1.00 10.0 10.00 5.78 129.04) = 99.820% kept HD3 PRO 52 - HG2 GLN 30 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HG2 GLN 30 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB3 SER 82 - HG2 GLN 30 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 221 (2.04, 2.73, 33.78 ppm): 8 chemical-shift based assignments, quality = 0.883, support = 5.77, residual support = 128.7: * O T HB2 GLN 30 - HG2 GLN 30 12.500% * 57.7979% (1.00 10.0 10.00 5.27 129.04) = 57.798% kept O T HG3 GLN 30 - HG2 GLN 30 12.500% * 41.9699% (0.73 10.0 10.00 6.50 129.04) = 41.970% kept HB ILE 119 - HG2 GLN 30 12.500% * 0.0578% (1.00 1.0 1.00 0.02 0.75) = 0.058% HB3 GLU- 100 - HG2 GLN 30 12.500% * 0.0567% (0.98 1.0 1.00 0.02 0.02) = 0.057% HB VAL 108 - HG2 GLN 30 12.500% * 0.0483% (0.84 1.0 1.00 0.02 0.02) = 0.048% HB2 ARG+ 54 - HG2 GLN 30 12.500% * 0.0420% (0.73 1.0 1.00 0.02 0.97) = 0.042% HB2 PRO 93 - HG2 GLN 30 12.500% * 0.0161% (0.28 1.0 1.00 0.02 0.02) = 0.016% HB3 PRO 68 - HG2 GLN 30 12.500% * 0.0114% (0.20 1.0 1.00 0.02 0.02) = 0.011% Peak 222 (1.89, 2.73, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 5.65, residual support = 128.6: * O T HB3 GLN 30 - HG2 GLN 30 20.000% * 99.6870% (1.00 10.0 10.00 5.67 129.04) = 99.687% kept HB2 MET 92 - HG2 GLN 30 20.000% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 LYS+ 38 - HG2 GLN 30 20.000% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB3 PRO 58 - HG2 GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB ILE 56 - HG2 GLN 30 20.000% * 0.0665% (0.67 1.0 1.00 0.02 1.05) = 0.066% 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): 9 chemical-shift based assignments, quality = 0.98, support = 5.51, residual support = 155.9: * O T HB2 LEU 31 - HA LEU 31 11.111% * 89.1561% (1.00 10.0 10.00 6.00 174.46) = 89.156% kept HB3 LEU 80 - HA LEU 31 11.111% * 7.6987% (0.92 1.0 1.00 1.87 3.34) = 7.699% kept HG2 LYS+ 38 - HA LEU 31 11.111% * 1.6274% (0.49 1.0 1.00 0.75 3.54) = 1.627% kept HB2 LEU 63 - HA LEU 31 11.111% * 1.2624% (0.78 1.0 1.00 0.36 0.34) = 1.262% kept HG2 LYS+ 111 - HA LEU 31 11.111% * 0.0874% (0.98 1.0 1.00 0.02 0.02) = 0.087% HG2 LYS+ 99 - HA LEU 31 11.111% * 0.0595% (0.67 1.0 1.00 0.02 0.02) = 0.059% HB3 ASP- 44 - HA LEU 31 11.111% * 0.0541% (0.61 1.0 1.00 0.02 0.24) = 0.054% QB ALA 124 - HA LEU 31 11.111% * 0.0335% (0.38 1.0 1.00 0.02 0.02) = 0.033% HG LEU 98 - HA LEU 31 11.111% * 0.0210% (0.24 1.0 1.00 0.02 0.02) = 0.021% Peak 226 (1.12, 3.61, 58.19 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 5.96, residual support = 173.4: * O T HB3 LEU 31 - HA LEU 31 20.000% * 99.3757% (1.00 10.0 10.00 6.00 174.46) = 99.376% kept HG13 ILE 119 - HA LEU 31 20.000% * 0.5430% (1.00 1.0 1.00 0.11 0.02) = 0.543% QB ALA 20 - HA LEU 31 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 112 - HA LEU 31 20.000% * 0.0276% (0.28 1.0 1.00 0.02 0.61) = 0.028% QG1 VAL 24 - HA LEU 31 20.000% * 0.0163% (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 = 0.62, support = 5.37, residual support = 165.2: * O T HG LEU 31 - HA LEU 31 25.000% * 94.7041% (0.61 10.0 10.00 5.64 174.46) = 94.704% kept QD1 ILE 56 - HA LEU 31 25.000% * 4.5667% (1.00 1.0 1.00 0.59 0.12) = 4.567% kept HG3 LYS+ 121 - HA LEU 31 25.000% * 0.5988% (0.28 1.0 1.00 0.28 0.02) = 0.599% QD2 LEU 73 - HA LEU 31 25.000% * 0.1304% (0.84 1.0 1.00 0.02 0.85) = 0.130% Peak 228 (0.00, 3.61, 58.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.73, residual support = 174.5: * T QD1 LEU 31 - HA LEU 31 100.000% *100.0000% (1.00 10.00 4.73 174.46) = 100.000% kept Peak 229 (0.07, 3.61, 58.19 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 174.3: * T QD2 LEU 31 - HA LEU 31 33.333% * 99.9349% (1.00 10.00 5.05 174.46) = 99.935% kept QG2 VAL 83 - HA LEU 31 33.333% * 0.0486% (0.49 1.00 0.02 0.02) = 0.049% QD1 ILE 89 - HA LEU 31 33.333% * 0.0164% (0.16 1.00 0.02 0.02) = 0.016% Peak 230 (3.61, 1.33, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 174.5: * O T HA LEU 31 - HB2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 6.00 174.46) = 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): 5 chemical-shift based assignments, quality = 0.994, support = 5.96, residual support = 173.4: * O T HB3 LEU 31 - HB2 LEU 31 20.000% * 99.3757% (1.00 10.0 10.00 6.00 174.46) = 99.376% kept HG13 ILE 119 - HB2 LEU 31 20.000% * 0.5430% (1.00 1.0 1.00 0.11 0.02) = 0.543% QB ALA 20 - HB2 LEU 31 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 112 - HB2 LEU 31 20.000% * 0.0276% (0.28 1.0 1.00 0.02 0.61) = 0.028% QG1 VAL 24 - HB2 LEU 31 20.000% * 0.0163% (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 = 0.62, support = 5.31, residual support = 165.2: * O T HG LEU 31 - HB2 LEU 31 25.000% * 94.7041% (0.61 10.0 10.00 5.58 174.46) = 94.704% kept QD1 ILE 56 - HB2 LEU 31 25.000% * 4.5667% (1.00 1.0 1.00 0.59 0.12) = 4.567% kept HG3 LYS+ 121 - HB2 LEU 31 25.000% * 0.5988% (0.28 1.0 1.00 0.28 0.02) = 0.599% QD2 LEU 73 - HB2 LEU 31 25.000% * 0.1304% (0.84 1.0 1.00 0.02 0.85) = 0.130% Peak 234 (0.00, 1.33, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.67, residual support = 174.5: * O T QD1 LEU 31 - HB2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.67 174.46) = 100.000% kept Peak 235 (0.07, 1.33, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 4.99, residual support = 174.3: * O T QD2 LEU 31 - HB2 LEU 31 33.333% * 99.9349% (1.00 10.0 10.00 4.99 174.46) = 99.935% kept QG2 VAL 83 - HB2 LEU 31 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QD1 ILE 89 - HB2 LEU 31 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 236 (3.61, 1.12, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 174.5: * O T HA LEU 31 - HB3 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 6.00 174.46) = 100.000% kept Peak 237 (1.33, 1.12, 40.94 ppm): 9 chemical-shift based assignments, quality = 0.976, support = 5.61, residual support = 162.0: * O T HB2 LEU 31 - HB3 LEU 31 11.111% * 92.7558% (1.00 10.0 10.00 6.00 174.46) = 92.756% kept HB3 LEU 80 - HB3 LEU 31 11.111% * 3.2751% (0.92 1.0 1.00 0.77 3.34) = 3.275% kept HG2 LYS+ 38 - HB3 LEU 31 11.111% * 1.6931% (0.49 1.0 1.00 0.75 3.54) = 1.693% kept HB2 LEU 63 - HB3 LEU 31 11.111% * 1.3134% (0.78 1.0 1.00 0.36 0.34) = 1.313% kept HG2 LYS+ 111 - HB3 LEU 31 11.111% * 0.7878% (0.98 1.0 1.00 0.17 0.02) = 0.788% HG2 LYS+ 99 - HB3 LEU 31 11.111% * 0.0619% (0.67 1.0 1.00 0.02 0.02) = 0.062% HB3 ASP- 44 - HB3 LEU 31 11.111% * 0.0563% (0.61 1.0 1.00 0.02 0.24) = 0.056% QB ALA 124 - HB3 LEU 31 11.111% * 0.0348% (0.38 1.0 1.00 0.02 0.02) = 0.035% HG LEU 98 - HB3 LEU 31 11.111% * 0.0219% (0.24 1.0 1.00 0.02 0.02) = 0.022% 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 = 0.62, support = 5.35, residual support = 165.2: * O T HG LEU 31 - HB3 LEU 31 25.000% * 94.7041% (0.61 10.0 10.00 5.62 174.46) = 94.704% kept QD1 ILE 56 - HB3 LEU 31 25.000% * 4.5667% (1.00 1.0 1.00 0.59 0.12) = 4.567% kept HG3 LYS+ 121 - HB3 LEU 31 25.000% * 0.5988% (0.28 1.0 1.00 0.28 0.02) = 0.599% QD2 LEU 73 - HB3 LEU 31 25.000% * 0.1304% (0.84 1.0 1.00 0.02 0.85) = 0.130% Peak 240 (0.00, 1.12, 40.94 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.7, residual support = 174.5: * O T QD1 LEU 31 - HB3 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.70 174.46) = 100.000% kept Peak 241 (0.07, 1.12, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.02, residual support = 174.3: * O T QD2 LEU 31 - HB3 LEU 31 33.333% * 99.9349% (1.00 10.0 10.00 5.03 174.46) = 99.935% kept QG2 VAL 83 - HB3 LEU 31 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QD1 ILE 89 - HB3 LEU 31 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 242 (3.61, 0.79, 27.16 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.64, residual support = 174.5: * O T HA LEU 31 - HG LEU 31 100.000% *100.0000% (0.61 10.0 10.00 5.64 174.46) = 100.000% kept Peak 243 (1.33, 0.79, 27.16 ppm): 9 chemical-shift based assignments, quality = 0.599, support = 5.45, residual support = 170.2: * O T HB2 LEU 31 - HG LEU 31 11.111% * 97.5422% (0.61 10.0 10.00 5.58 174.46) = 97.542% kept HB2 LEU 63 - HG LEU 31 11.111% * 1.4488% (0.47 1.0 1.00 0.38 0.34) = 1.449% kept HG2 LYS+ 111 - HG LEU 31 11.111% * 0.6877% (0.59 1.0 1.00 0.14 0.02) = 0.688% HB3 LEU 80 - HG LEU 31 11.111% * 0.0900% (0.56 1.0 1.00 0.02 3.34) = 0.090% HG2 LYS+ 99 - HG LEU 31 11.111% * 0.0651% (0.40 1.0 1.00 0.02 0.02) = 0.065% HB3 ASP- 44 - HG LEU 31 11.111% * 0.0592% (0.37 1.0 1.00 0.02 0.24) = 0.059% HG2 LYS+ 38 - HG LEU 31 11.111% * 0.0475% (0.30 1.0 1.00 0.02 3.54) = 0.047% QB ALA 124 - HG LEU 31 11.111% * 0.0366% (0.23 1.0 1.00 0.02 0.02) = 0.037% HG LEU 98 - HG LEU 31 11.111% * 0.0230% (0.14 1.0 1.00 0.02 0.02) = 0.023% Peak 244 (1.12, 0.79, 27.16 ppm): 5 chemical-shift based assignments, quality = 0.603, support = 5.58, residual support = 173.4: * O T HB3 LEU 31 - HG LEU 31 20.000% * 99.3757% (0.61 10.0 10.00 5.62 174.46) = 99.376% kept HG13 ILE 119 - HG LEU 31 20.000% * 0.5430% (0.60 1.0 1.00 0.11 0.02) = 0.543% QB ALA 20 - HG LEU 31 20.000% * 0.0373% (0.23 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 112 - HG LEU 31 20.000% * 0.0276% (0.17 1.0 1.00 0.02 0.61) = 0.028% QG1 VAL 24 - HG LEU 31 20.000% * 0.0163% (0.10 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 (0.37) kept Peak 246 (0.00, 0.79, 27.16 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 4.54, residual support = 174.5: * O T QD1 LEU 31 - HG LEU 31 100.000% *100.0000% (0.61 10.0 10.00 4.54 174.46) = 100.000% kept Peak 247 (0.07, 0.79, 27.16 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 4.86, residual support = 174.3: * O T QD2 LEU 31 - HG LEU 31 33.333% * 99.9349% (0.61 10.0 10.00 4.86 174.46) = 99.935% kept QG2 VAL 83 - HG LEU 31 33.333% * 0.0486% (0.30 1.0 1.00 0.02 0.02) = 0.049% QD1 ILE 89 - HG LEU 31 33.333% * 0.0164% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 248 (3.61, 0.00, 23.44 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.73, residual support = 174.5: * T HA LEU 31 - QD1 LEU 31 100.000% *100.0000% (1.00 10.00 4.73 174.46) = 100.000% kept Peak 249 (1.33, 0.00, 23.44 ppm): 9 chemical-shift based assignments, quality = 0.991, support = 4.63, residual support = 172.9: * O T HB2 LEU 31 - QD1 LEU 31 11.111% * 99.1324% (1.00 10.0 10.00 4.67 174.46) = 99.132% kept HB2 LEU 63 - QD1 LEU 31 11.111% * 0.4439% (0.78 1.0 1.00 0.11 0.34) = 0.444% HG2 LYS+ 111 - QD1 LEU 31 11.111% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 80 - QD1 LEU 31 11.111% * 0.0915% (0.92 1.0 1.00 0.02 3.34) = 0.092% HG2 LYS+ 99 - QD1 LEU 31 11.111% * 0.0661% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 ASP- 44 - QD1 LEU 31 11.111% * 0.0601% (0.61 1.0 1.00 0.02 0.24) = 0.060% HG2 LYS+ 38 - QD1 LEU 31 11.111% * 0.0483% (0.49 1.0 1.00 0.02 3.54) = 0.048% QB ALA 124 - QD1 LEU 31 11.111% * 0.0372% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG LEU 98 - QD1 LEU 31 11.111% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 250 (1.12, 0.00, 23.44 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 4.67, residual support = 173.4: * O T HB3 LEU 31 - QD1 LEU 31 20.000% * 99.3757% (1.00 10.0 10.00 4.70 174.46) = 99.376% kept HG13 ILE 119 - QD1 LEU 31 20.000% * 0.5430% (1.00 1.0 1.00 0.11 0.02) = 0.543% QB ALA 20 - QD1 LEU 31 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 112 - QD1 LEU 31 20.000% * 0.0276% (0.28 1.0 1.00 0.02 0.61) = 0.028% QG1 VAL 24 - QD1 LEU 31 20.000% * 0.0163% (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 = 0.628, support = 4.32, residual support = 164.2: * O T HG LEU 31 - QD1 LEU 31 25.000% * 94.0950% (0.61 10.0 10.00 4.54 174.46) = 94.095% kept QD1 ILE 56 - QD1 LEU 31 25.000% * 5.7323% (1.00 1.0 1.00 0.74 0.12) = 5.732% kept QD2 LEU 73 - QD1 LEU 31 25.000% * 0.1296% (0.84 1.0 1.00 0.02 0.85) = 0.130% HG3 LYS+ 121 - QD1 LEU 31 25.000% * 0.0431% (0.28 1.0 1.00 0.02 0.02) = 0.043% 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 = 174.3: * O T QD2 LEU 31 - QD1 LEU 31 33.333% * 99.9349% (1.00 10.0 10.00 4.31 174.46) = 99.935% kept QG2 VAL 83 - QD1 LEU 31 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QD1 ILE 89 - QD1 LEU 31 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 254 (3.61, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.05, residual support = 174.5: * T HA LEU 31 - QD2 LEU 31 100.000% *100.0000% (1.00 10.00 5.05 174.46) = 100.000% kept Peak 255 (1.33, 0.07, 21.81 ppm): 9 chemical-shift based assignments, quality = 0.98, support = 4.83, residual support = 166.7: * O T HB2 LEU 31 - QD2 LEU 31 11.111% * 95.5356% (1.00 10.0 10.00 4.99 174.46) = 95.536% kept HB3 ASP- 44 - QD2 LEU 31 11.111% * 4.0392% (0.61 1.0 1.00 1.39 0.24) = 4.039% kept HG2 LYS+ 111 - QD2 LEU 31 11.111% * 0.0936% (0.98 1.0 1.00 0.02 0.02) = 0.094% HB3 LEU 80 - QD2 LEU 31 11.111% * 0.0882% (0.92 1.0 1.00 0.02 3.34) = 0.088% HB2 LEU 63 - QD2 LEU 31 11.111% * 0.0748% (0.78 1.0 1.00 0.02 0.34) = 0.075% HG2 LYS+ 99 - QD2 LEU 31 11.111% * 0.0637% (0.67 1.0 1.00 0.02 0.02) = 0.064% HG2 LYS+ 38 - QD2 LEU 31 11.111% * 0.0465% (0.49 1.0 1.00 0.02 3.54) = 0.047% QB ALA 124 - QD2 LEU 31 11.111% * 0.0359% (0.38 1.0 1.00 0.02 0.02) = 0.036% HG LEU 98 - QD2 LEU 31 11.111% * 0.0225% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 256 (1.12, 0.07, 21.81 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 5.0, residual support = 173.4: * O T HB3 LEU 31 - QD2 LEU 31 20.000% * 99.3757% (1.00 10.0 10.00 5.03 174.46) = 99.376% kept HG13 ILE 119 - QD2 LEU 31 20.000% * 0.5430% (1.00 1.0 1.00 0.11 0.02) = 0.543% QB ALA 20 - QD2 LEU 31 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% HD3 LYS+ 112 - QD2 LEU 31 20.000% * 0.0276% (0.28 1.0 1.00 0.02 0.61) = 0.028% QG1 VAL 24 - QD2 LEU 31 20.000% * 0.0163% (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 = 0.626, support = 4.57, residual support = 162.9: * O T HG LEU 31 - QD2 LEU 31 25.000% * 93.3279% (0.61 10.0 10.00 4.86 174.46) = 93.328% kept QD2 LEU 73 - QD2 LEU 31 25.000% * 3.5976% (0.84 1.0 1.00 0.56 0.85) = 3.598% kept QD1 ILE 56 - QD2 LEU 31 25.000% * 3.0318% (1.00 1.0 1.00 0.40 0.12) = 3.032% kept HG3 LYS+ 121 - QD2 LEU 31 25.000% * 0.0428% (0.28 1.0 1.00 0.02 0.02) = 0.043% Peak 258 (0.00, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.31, residual support = 174.5: * O T QD1 LEU 31 - QD2 LEU 31 100.000% *100.0000% (1.00 10.0 10.00 4.31 174.46) = 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 GLU- 29 - HA GLU- 29 (0.31) kept HA LYS+ 33 - HA LYS+ 33 (0.28) kept * HA GLN 32 - HA GLN 32 (0.18) kept Peak 261 (2.11, 4.00, 59.42 ppm): 12 chemical-shift based assignments, quality = 0.465, support = 3.26, residual support = 21.7: T QB GLN 32 - HA LYS+ 33 8.333% * 51.5483% (0.51 1.0 10.00 3.79 13.33) = 51.548% kept * O T QB GLN 32 - HA GLN 32 8.333% * 43.8393% (0.43 10.0 10.00 2.95 33.72) = 43.839% kept T QB GLN 32 - HA GLU- 29 8.333% * 4.2849% (0.39 1.0 10.00 0.22 0.02) = 4.285% kept HB VAL 24 - HA LYS+ 33 8.333% * 0.0505% (0.50 1.0 1.00 0.02 0.02) = 0.051% HB2 PRO 68 - HA LYS+ 33 8.333% * 0.0431% (0.42 1.0 1.00 0.02 0.02) = 0.043% HB VAL 24 - HA GLN 32 8.333% * 0.0430% (0.42 1.0 1.00 0.02 0.02) = 0.043% HB VAL 24 - HA GLU- 29 8.333% * 0.0390% (0.38 1.0 1.00 0.02 0.02) = 0.039% HB2 PRO 68 - HA GLN 32 8.333% * 0.0366% (0.36 1.0 1.00 0.02 0.02) = 0.037% HB2 PRO 68 - HA GLU- 29 8.333% * 0.0333% (0.33 1.0 1.00 0.02 0.02) = 0.033% HG3 GLU- 100 - HA LYS+ 33 8.333% * 0.0313% (0.31 1.0 1.00 0.02 0.02) = 0.031% HG3 GLU- 100 - HA GLN 32 8.333% * 0.0266% (0.26 1.0 1.00 0.02 0.02) = 0.027% HG3 GLU- 100 - HA GLU- 29 8.333% * 0.0242% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 262 (2.39, 4.00, 59.42 ppm): 9 chemical-shift based assignments, quality = 0.461, support = 3.14, residual support = 21.3: T QG GLN 32 - HA LYS+ 33 11.111% * 50.5956% (0.51 1.0 10.00 3.76 13.33) = 50.596% kept * O T QG GLN 32 - HA GLN 32 11.111% * 43.0291% (0.43 10.0 10.00 2.85 33.72) = 43.029% kept T QG GLN 32 - HA GLU- 29 11.111% * 4.2057% (0.39 1.0 10.00 0.22 0.02) = 4.206% kept QG GLU- 79 - HA LYS+ 33 11.111% * 1.1265% (0.37 1.0 1.00 0.61 0.19) = 1.127% kept QG GLU- 79 - HA GLN 32 11.111% * 0.9716% (0.31 1.0 1.00 0.62 4.41) = 0.972% QG GLU- 79 - HA GLU- 29 11.111% * 0.0284% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 107 - HA LYS+ 33 11.111% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB VAL 107 - HA GLN 32 11.111% * 0.0140% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB VAL 107 - HA GLU- 29 11.111% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 263 (4.00, 2.11, 27.95 ppm): 10 chemical-shift based assignments, quality = 0.516, support = 3.15, residual support = 20.5: T HA LYS+ 33 - QB GLN 32 10.000% * 51.3485% (0.55 1.0 10.00 3.79 13.33) = 51.349% kept * O T HA GLN 32 - QB GLN 32 10.000% * 40.3922% (0.43 10.0 10.00 2.95 33.72) = 40.392% kept T HA GLU- 29 - QB GLN 32 10.000% * 7.9201% (0.78 1.0 10.00 0.22 0.02) = 7.920% kept HB2 SER 82 - QB GLN 32 10.000% * 0.0868% (0.92 1.0 1.00 0.02 0.02) = 0.087% HA SER 48 - QB GLN 32 10.000% * 0.0785% (0.84 1.0 1.00 0.02 0.02) = 0.079% HA VAL 18 - QB GLN 32 10.000% * 0.0785% (0.84 1.0 1.00 0.02 0.02) = 0.079% HA ALA 88 - QB GLN 32 10.000% * 0.0458% (0.49 1.0 1.00 0.02 0.02) = 0.046% HD2 PRO 52 - QB GLN 32 10.000% * 0.0186% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA GLN 116 - QB GLN 32 10.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA VAL 70 - QB GLN 32 10.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% 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): 3 chemical-shift based assignments, quality = 0.988, support = 2.81, residual support = 32.8: * O T QG GLN 32 - QB GLN 32 33.333% * 96.9165% (1.00 10.0 10.00 2.88 33.72) = 96.917% kept QG GLU- 79 - QB GLN 32 33.333% * 2.6391% (0.73 1.0 1.00 0.75 4.41) = 2.639% kept HB VAL 107 - QB GLN 32 33.333% * 0.4444% (0.32 1.0 1.00 0.28 0.02) = 0.444% Peak 266 (4.00, 2.39, 33.78 ppm): 10 chemical-shift based assignments, quality = 0.516, support = 3.1, residual support = 20.5: T HA LYS+ 33 - QG GLN 32 10.000% * 51.3485% (0.55 1.0 10.00 3.76 13.33) = 51.349% kept * O T HA GLN 32 - QG GLN 32 10.000% * 40.3922% (0.43 10.0 10.00 2.85 33.72) = 40.392% kept T HA GLU- 29 - QG GLN 32 10.000% * 7.9201% (0.78 1.0 10.00 0.22 0.02) = 7.920% kept HB2 SER 82 - QG GLN 32 10.000% * 0.0868% (0.92 1.0 1.00 0.02 0.02) = 0.087% HA SER 48 - QG GLN 32 10.000% * 0.0785% (0.84 1.0 1.00 0.02 0.02) = 0.079% HA VAL 18 - QG GLN 32 10.000% * 0.0785% (0.84 1.0 1.00 0.02 0.02) = 0.079% HA ALA 88 - QG GLN 32 10.000% * 0.0458% (0.49 1.0 1.00 0.02 0.02) = 0.046% HD2 PRO 52 - QG GLN 32 10.000% * 0.0186% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA GLN 116 - QG GLN 32 10.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA VAL 70 - QG GLN 32 10.000% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 267 (2.11, 2.39, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.87, residual support = 33.6: * O T QB GLN 32 - QG GLN 32 25.000% * 99.7584% (1.00 10.0 10.00 2.88 33.72) = 99.758% kept HB VAL 24 - QG GLN 32 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 PRO 68 - QG GLN 32 25.000% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG3 GLU- 100 - QG GLN 32 25.000% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% 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): 2 diagonal assignments: * HA LYS+ 33 - HA LYS+ 33 (1.00) kept HA GLU- 29 - HA GLU- 29 (0.25) kept Peak 270 (1.86, 4.01, 59.34 ppm): 20 chemical-shift based assignments, quality = 0.918, support = 5.46, residual support = 95.7: * O T QB LYS+ 33 - HA LYS+ 33 5.000% * 87.7738% (1.00 10.0 10.00 6.11 108.90) = 87.774% kept T QB LYS+ 33 - HA GLU- 29 5.000% * 10.1035% (0.27 1.0 10.00 0.86 0.02) = 10.103% kept QB LYS+ 81 - HA LYS+ 33 5.000% * 1.4479% (0.92 1.0 1.00 0.36 4.99) = 1.448% kept HB3 GLN 90 - HA LYS+ 33 5.000% * 0.0860% (0.98 1.0 1.00 0.02 0.02) = 0.086% HB3 ASP- 105 - HA LYS+ 33 5.000% * 0.0839% (0.96 1.0 1.00 0.02 0.56) = 0.084% HG2 ARG+ 54 - HA LYS+ 33 5.000% * 0.0810% (0.92 1.0 1.00 0.02 0.67) = 0.081% QB LYS+ 106 - HA LYS+ 33 5.000% * 0.0775% (0.88 1.0 1.00 0.02 0.34) = 0.077% HB ILE 103 - HA LYS+ 33 5.000% * 0.0775% (0.88 1.0 1.00 0.02 0.02) = 0.077% HG3 PRO 68 - HA LYS+ 33 5.000% * 0.0733% (0.84 1.0 1.00 0.02 0.02) = 0.073% HB ILE 56 - HA LYS+ 33 5.000% * 0.0244% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 90 - HA GLU- 29 5.000% * 0.0230% (0.26 1.0 1.00 0.02 0.02) = 0.023% HB3 ASP- 105 - HA GLU- 29 5.000% * 0.0224% (0.26 1.0 1.00 0.02 0.02) = 0.022% HG2 ARG+ 54 - HA GLU- 29 5.000% * 0.0216% (0.25 1.0 1.00 0.02 0.02) = 0.022% QB LYS+ 81 - HA GLU- 29 5.000% * 0.0216% (0.25 1.0 1.00 0.02 0.02) = 0.022% QB LYS+ 106 - HA GLU- 29 5.000% * 0.0207% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB ILE 103 - HA GLU- 29 5.000% * 0.0207% (0.24 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 68 - HA GLU- 29 5.000% * 0.0196% (0.22 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 38 - HA LYS+ 33 5.000% * 0.0119% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB ILE 56 - HA GLU- 29 5.000% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - HA GLU- 29 5.000% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 272 (1.38, 4.01, 59.34 ppm): 18 chemical-shift based assignments, quality = 0.885, support = 3.66, residual support = 75.0: * O T HG3 LYS+ 33 - HA LYS+ 33 5.556% * 68.7423% (1.00 10.0 10.00 5.09 108.90) = 68.742% kept T HG3 LYS+ 65 - HA LYS+ 33 5.556% * 11.2312% (0.98 1.0 10.00 0.33 0.98) = 11.231% kept T HG3 LYS+ 106 - HA LYS+ 33 5.556% * 11.2184% (0.61 1.0 10.00 0.54 0.34) = 11.218% kept T HG3 LYS+ 33 - HA GLU- 29 5.556% * 7.4408% (0.27 1.0 10.00 0.81 0.02) = 7.441% kept T HG3 LYS+ 102 - HA LYS+ 33 5.556% * 0.6066% (0.88 1.0 10.00 0.02 0.02) = 0.607% T HG3 LYS+ 65 - HA GLU- 29 5.556% * 0.1799% (0.26 1.0 10.00 0.02 0.02) = 0.180% T HG3 LYS+ 102 - HA GLU- 29 5.556% * 0.1620% (0.24 1.0 10.00 0.02 0.02) = 0.162% T HG3 LYS+ 106 - HA GLU- 29 5.556% * 0.1113% (0.16 1.0 10.00 0.02 0.02) = 0.111% HB VAL 42 - HA LYS+ 33 5.556% * 0.0674% (0.98 1.0 1.00 0.02 0.02) = 0.067% HB3 LEU 73 - HA LYS+ 33 5.556% * 0.0635% (0.92 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 112 - HA LYS+ 33 5.556% * 0.0538% (0.78 1.0 1.00 0.02 0.02) = 0.054% QB ALA 12 - HA LYS+ 33 5.556% * 0.0417% (0.61 1.0 1.00 0.02 0.02) = 0.042% HB VAL 42 - HA GLU- 29 5.556% * 0.0180% (0.26 1.0 1.00 0.02 0.02) = 0.018% HB3 LEU 73 - HA GLU- 29 5.556% * 0.0169% (0.25 1.0 1.00 0.02 0.02) = 0.017% QB LEU 98 - HA LYS+ 33 5.556% * 0.0162% (0.24 1.0 1.00 0.02 0.02) = 0.016% HB2 LYS+ 112 - HA GLU- 29 5.556% * 0.0144% (0.21 1.0 1.00 0.02 0.55) = 0.014% QB ALA 12 - HA GLU- 29 5.556% * 0.0111% (0.16 1.0 1.00 0.02 0.02) = 0.011% QB LEU 98 - HA GLU- 29 5.556% * 0.0043% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 273 (1.63, 4.01, 59.34 ppm): 10 chemical-shift based assignments, quality = 0.925, support = 3.48, residual support = 98.2: * T QD LYS+ 33 - HA LYS+ 33 10.000% * 90.2147% (1.00 10.00 3.79 108.90) = 90.215% kept T QD LYS+ 33 - HA GLU- 29 10.000% * 8.6615% (0.27 10.00 0.72 0.02) = 8.661% kept T HD3 LYS+ 111 - HA LYS+ 33 10.000% * 0.7061% (0.78 10.00 0.02 0.02) = 0.706% T HD3 LYS+ 111 - HA GLU- 29 10.000% * 0.1886% (0.21 10.00 0.02 0.02) = 0.189% HB3 LEU 123 - HA LYS+ 33 10.000% * 0.0902% (1.00 1.00 0.02 0.02) = 0.090% QB ALA 57 - HA LYS+ 33 10.000% * 0.0655% (0.73 1.00 0.02 0.02) = 0.066% HD2 LYS+ 74 - HA LYS+ 33 10.000% * 0.0251% (0.28 1.00 0.02 0.02) = 0.025% HB3 LEU 123 - HA GLU- 29 10.000% * 0.0241% (0.27 1.00 0.02 0.02) = 0.024% QB ALA 57 - HA GLU- 29 10.000% * 0.0175% (0.19 1.00 0.02 0.02) = 0.017% HD2 LYS+ 74 - HA GLU- 29 10.000% * 0.0067% (0.07 1.00 0.02 0.02) = 0.007% Peak 274 (2.92, 4.01, 59.34 ppm): 10 chemical-shift based assignments, quality = 0.903, support = 4.27, residual support = 84.8: * T QE LYS+ 33 - HA LYS+ 33 10.000% * 77.0706% (1.00 10.00 5.18 108.90) = 77.071% kept T QE LYS+ 65 - HA LYS+ 33 10.000% * 13.9990% (0.78 10.00 0.46 0.98) = 13.999% kept HB2 ASN 28 - HA GLU- 29 10.000% * 4.3168% (0.26 1.00 4.39 16.10) = 4.317% kept T QE LYS+ 33 - HA GLU- 29 10.000% * 4.3002% (0.27 10.00 0.42 0.02) = 4.300% kept T QE LYS+ 65 - HA GLU- 29 10.000% * 0.1611% (0.21 10.00 0.02 0.02) = 0.161% HB2 ASN 28 - HA LYS+ 33 10.000% * 0.0737% (0.96 1.00 0.02 0.02) = 0.074% HB2 ASP- 86 - HA LYS+ 33 10.000% * 0.0331% (0.43 1.00 0.02 0.02) = 0.033% HB2 ASP- 78 - HA LYS+ 33 10.000% * 0.0289% (0.38 1.00 0.02 0.02) = 0.029% HB2 ASP- 86 - HA GLU- 29 10.000% * 0.0088% (0.11 1.00 0.02 0.16) = 0.009% HB2 ASP- 78 - HA GLU- 29 10.000% * 0.0077% (0.10 1.00 0.02 0.02) = 0.008% Peak 275 (4.01, 1.86, 32.27 ppm): 7 chemical-shift based assignments, quality = 0.971, support = 4.52, residual support = 75.8: * O T HA LYS+ 33 - QB LYS+ 33 14.286% * 69.6032% (1.00 10.0 10.00 6.11 108.90) = 69.603% kept T HA GLU- 29 - QB LYS+ 33 14.286% * 27.6947% (0.92 1.0 10.00 0.86 0.02) = 27.695% kept HB2 SER 82 - QB LYS+ 33 14.286% * 2.5231% (0.78 1.0 1.00 0.93 0.57) = 2.523% kept HA VAL 18 - QB LYS+ 33 14.286% * 0.0614% (0.88 1.0 1.00 0.02 0.11) = 0.061% HA VAL 70 - QB LYS+ 33 14.286% * 0.0505% (0.73 1.0 1.00 0.02 0.02) = 0.051% HA GLN 116 - QB LYS+ 33 14.286% * 0.0505% (0.73 1.0 1.00 0.02 0.02) = 0.051% HA SER 48 - QB LYS+ 33 14.286% * 0.0164% (0.24 1.0 1.00 0.02 0.02) = 0.016% 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): 9 chemical-shift based assignments, quality = 0.94, support = 3.93, residual support = 81.2: * O T HG3 LYS+ 33 - QB LYS+ 33 11.111% * 74.4114% (1.00 10.0 10.00 5.14 108.90) = 74.411% kept T HG3 LYS+ 65 - QB LYS+ 33 11.111% * 12.7319% (0.98 1.0 10.00 0.35 0.98) = 12.732% kept T HG3 LYS+ 106 - QB LYS+ 33 11.111% * 11.7796% (0.61 1.0 10.00 0.52 0.34) = 11.780% kept T HG3 LYS+ 102 - QB LYS+ 33 11.111% * 0.6567% (0.88 1.0 10.00 0.02 0.02) = 0.657% T QB LEU 98 - QB LYS+ 33 11.111% * 0.1754% (0.24 1.0 10.00 0.02 0.02) = 0.175% HB VAL 42 - QB LYS+ 33 11.111% * 0.0729% (0.98 1.0 1.00 0.02 0.02) = 0.073% HB3 LEU 73 - QB LYS+ 33 11.111% * 0.0687% (0.92 1.0 1.00 0.02 0.02) = 0.069% HB2 LYS+ 112 - QB LYS+ 33 11.111% * 0.0582% (0.78 1.0 1.00 0.02 0.02) = 0.058% QB ALA 12 - QB LYS+ 33 11.111% * 0.0451% (0.61 1.0 1.00 0.02 0.02) = 0.045% Peak 279 (1.63, 1.86, 32.27 ppm): 5 chemical-shift based assignments, quality = 0.982, support = 4.71, residual support = 106.9: * O T QD LYS+ 33 - QB LYS+ 33 20.000% * 98.1517% (1.00 10.0 10.00 4.80 108.90) = 98.152% kept T HB3 LEU 123 - QB LYS+ 33 20.000% * 0.9815% (1.00 1.0 10.00 0.02 0.02) = 0.982% T HD3 LYS+ 111 - QB LYS+ 33 20.000% * 0.7682% (0.78 1.0 10.00 0.02 0.02) = 0.768% QB ALA 57 - QB LYS+ 33 20.000% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HD2 LYS+ 74 - QB LYS+ 33 20.000% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 280 (2.92, 1.86, 32.27 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 4.51, residual support = 92.8: * T QE LYS+ 33 - QB LYS+ 33 20.000% * 85.0917% (1.00 10.00 5.22 108.90) = 85.092% kept T QE LYS+ 65 - QB LYS+ 33 20.000% * 14.7584% (0.78 10.00 0.44 0.98) = 14.758% kept HB2 ASN 28 - QB LYS+ 33 20.000% * 0.0813% (0.96 1.00 0.02 0.02) = 0.081% HB2 ASP- 86 - QB LYS+ 33 20.000% * 0.0366% (0.43 1.00 0.02 0.02) = 0.037% HB2 ASP- 78 - QB LYS+ 33 20.000% * 0.0319% (0.38 1.00 0.02 0.02) = 0.032% Peak 287 (4.01, 1.38, 25.23 ppm): 28 chemical-shift based assignments, quality = 0.941, support = 3.45, residual support = 68.9: * O T HA LYS+ 33 - HG3 LYS+ 33 3.571% * 63.1949% (1.00 10.0 10.00 5.09 108.90) = 63.195% kept T HA GLU- 29 - HG3 LYS+ 33 3.571% * 23.6451% (0.92 1.0 10.00 0.81 0.02) = 23.645% kept T HA LYS+ 33 - HG3 LYS+ 65 3.571% * 8.9956% (0.85 1.0 10.00 0.33 0.98) = 8.996% kept HB2 SER 82 - HG3 LYS+ 33 3.571% * 1.7907% (0.78 1.0 1.00 0.72 0.57) = 1.791% kept T HA GLU- 29 - HG3 LYS+ 65 3.571% * 0.4982% (0.79 1.0 10.00 0.02 0.02) = 0.498% T HA LYS+ 33 - HG3 LYS+ 106 3.571% * 0.3042% (0.48 1.0 10.00 0.02 0.34) = 0.304% T HA LYS+ 33 - HG3 LYS+ 102 3.571% * 0.2929% (0.46 1.0 10.00 0.02 0.02) = 0.293% T HA GLU- 29 - HG3 LYS+ 106 3.571% * 0.2808% (0.44 1.0 10.00 0.02 0.02) = 0.281% T HA GLU- 29 - HG3 LYS+ 102 3.571% * 0.2703% (0.43 1.0 10.00 0.02 0.02) = 0.270% HB2 SER 82 - HG3 LYS+ 65 3.571% * 0.2260% (0.67 1.0 1.00 0.11 0.02) = 0.226% HA VAL 18 - HG3 LYS+ 33 3.571% * 0.0558% (0.88 1.0 1.00 0.02 0.11) = 0.056% HA VAL 18 - HG3 LYS+ 65 3.571% * 0.0476% (0.75 1.0 1.00 0.02 0.13) = 0.048% HA VAL 70 - HG3 LYS+ 33 3.571% * 0.0459% (0.73 1.0 1.00 0.02 0.02) = 0.046% HA GLN 116 - HG3 LYS+ 33 3.571% * 0.0459% (0.73 1.0 1.00 0.02 0.02) = 0.046% HA GLN 116 - HG3 LYS+ 65 3.571% * 0.0392% (0.62 1.0 1.00 0.02 0.02) = 0.039% HA VAL 70 - HG3 LYS+ 65 3.571% * 0.0392% (0.62 1.0 1.00 0.02 0.02) = 0.039% HA VAL 18 - HG3 LYS+ 106 3.571% * 0.0268% (0.42 1.0 1.00 0.02 0.02) = 0.027% HA VAL 18 - HG3 LYS+ 102 3.571% * 0.0258% (0.41 1.0 1.00 0.02 0.02) = 0.026% HB2 SER 82 - HG3 LYS+ 106 3.571% * 0.0238% (0.38 1.0 1.00 0.02 0.02) = 0.024% HB2 SER 82 - HG3 LYS+ 102 3.571% * 0.0229% (0.36 1.0 1.00 0.02 0.02) = 0.023% HA GLN 116 - HG3 LYS+ 106 3.571% * 0.0221% (0.35 1.0 1.00 0.02 0.02) = 0.022% HA VAL 70 - HG3 LYS+ 106 3.571% * 0.0221% (0.35 1.0 1.00 0.02 0.02) = 0.022% HA GLN 116 - HG3 LYS+ 102 3.571% * 0.0213% (0.34 1.0 1.00 0.02 0.02) = 0.021% HA VAL 70 - HG3 LYS+ 102 3.571% * 0.0213% (0.34 1.0 1.00 0.02 0.02) = 0.021% HA SER 48 - HG3 LYS+ 33 3.571% * 0.0149% (0.24 1.0 1.00 0.02 0.02) = 0.015% HA SER 48 - HG3 LYS+ 65 3.571% * 0.0127% (0.20 1.0 1.00 0.02 0.02) = 0.013% HA SER 48 - HG3 LYS+ 106 3.571% * 0.0072% (0.11 1.0 1.00 0.02 0.02) = 0.007% HA SER 48 - HG3 LYS+ 102 3.571% * 0.0069% (0.11 1.0 1.00 0.02 0.02) = 0.007% Peak 288 (1.86, 1.38, 25.23 ppm): 40 chemical-shift based assignments, quality = 0.778, support = 4.62, residual support = 90.1: * O T QB LYS+ 33 - HG3 LYS+ 33 2.500% * 58.4643% (1.00 10.0 10.00 5.14 108.90) = 58.464% kept O T QB LYS+ 106 - HG3 LYS+ 106 2.500% * 24.8341% (0.42 10.0 10.00 5.27 101.04) = 24.834% kept HB ILE 103 - HG3 LYS+ 102 2.500% * 4.3754% (0.41 1.0 1.00 3.66 17.31) = 4.375% kept HB3 ASP- 105 - HG3 LYS+ 106 2.500% * 4.1704% (0.46 1.0 1.00 3.10 14.16) = 4.170% kept T QB LYS+ 106 - HG3 LYS+ 33 2.500% * 3.8552% (0.88 1.0 10.00 0.15 0.34) = 3.855% kept HB3 ASP- 105 - HG3 LYS+ 33 2.500% * 1.7084% (0.96 1.0 1.00 0.61 0.56) = 1.708% kept T QB LYS+ 33 - HG3 LYS+ 65 2.500% * 0.4993% (0.85 1.0 10.00 0.02 0.98) = 0.499% T QB LYS+ 106 - HG3 LYS+ 65 2.500% * 0.4406% (0.75 1.0 10.00 0.02 0.02) = 0.441% T QB LYS+ 33 - HG3 LYS+ 106 2.500% * 0.2814% (0.48 1.0 10.00 0.02 0.34) = 0.281% T QB LYS+ 33 - HG3 LYS+ 102 2.500% * 0.2709% (0.46 1.0 10.00 0.02 0.02) = 0.271% T QB LYS+ 106 - HG3 LYS+ 102 2.500% * 0.2391% (0.41 1.0 10.00 0.02 0.02) = 0.239% HB3 GLN 90 - HG3 LYS+ 33 2.500% * 0.0573% (0.98 1.0 1.00 0.02 0.02) = 0.057% QB LYS+ 81 - HG3 LYS+ 33 2.500% * 0.0540% (0.92 1.0 1.00 0.02 4.99) = 0.054% HG2 ARG+ 54 - HG3 LYS+ 33 2.500% * 0.0540% (0.92 1.0 1.00 0.02 0.67) = 0.054% HB ILE 103 - HG3 LYS+ 33 2.500% * 0.0516% (0.88 1.0 1.00 0.02 0.02) = 0.052% HB3 GLN 90 - HG3 LYS+ 65 2.500% * 0.0489% (0.84 1.0 1.00 0.02 0.02) = 0.049% HG3 PRO 68 - HG3 LYS+ 33 2.500% * 0.0488% (0.84 1.0 1.00 0.02 0.02) = 0.049% HB3 ASP- 105 - HG3 LYS+ 65 2.500% * 0.0477% (0.82 1.0 1.00 0.02 0.02) = 0.048% HG2 ARG+ 54 - HG3 LYS+ 65 2.500% * 0.0461% (0.79 1.0 1.00 0.02 0.02) = 0.046% QB LYS+ 81 - HG3 LYS+ 65 2.500% * 0.0461% (0.79 1.0 1.00 0.02 0.30) = 0.046% HB ILE 103 - HG3 LYS+ 65 2.500% * 0.0441% (0.75 1.0 1.00 0.02 0.02) = 0.044% HG3 PRO 68 - HG3 LYS+ 65 2.500% * 0.0417% (0.71 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 90 - HG3 LYS+ 106 2.500% * 0.0276% (0.47 1.0 1.00 0.02 0.02) = 0.028% HB3 GLN 90 - HG3 LYS+ 102 2.500% * 0.0266% (0.45 1.0 1.00 0.02 0.02) = 0.027% HG2 ARG+ 54 - HG3 LYS+ 106 2.500% * 0.0260% (0.44 1.0 1.00 0.02 0.02) = 0.026% QB LYS+ 81 - HG3 LYS+ 106 2.500% * 0.0260% (0.44 1.0 1.00 0.02 0.02) = 0.026% HB3 ASP- 105 - HG3 LYS+ 102 2.500% * 0.0259% (0.44 1.0 1.00 0.02 0.02) = 0.026% QB LYS+ 81 - HG3 LYS+ 102 2.500% * 0.0250% (0.43 1.0 1.00 0.02 0.02) = 0.025% HG2 ARG+ 54 - HG3 LYS+ 102 2.500% * 0.0250% (0.43 1.0 1.00 0.02 0.02) = 0.025% HB ILE 103 - HG3 LYS+ 106 2.500% * 0.0248% (0.42 1.0 1.00 0.02 0.02) = 0.025% HG3 PRO 68 - HG3 LYS+ 106 2.500% * 0.0235% (0.40 1.0 1.00 0.02 0.02) = 0.024% HG3 PRO 68 - HG3 LYS+ 102 2.500% * 0.0226% (0.39 1.0 1.00 0.02 0.02) = 0.023% HB ILE 56 - HG3 LYS+ 33 2.500% * 0.0163% (0.28 1.0 1.00 0.02 0.02) = 0.016% HB ILE 56 - HG3 LYS+ 65 2.500% * 0.0139% (0.24 1.0 1.00 0.02 4.85) = 0.014% HB3 LYS+ 38 - HG3 LYS+ 33 2.500% * 0.0079% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB ILE 56 - HG3 LYS+ 106 2.500% * 0.0078% (0.13 1.0 1.00 0.02 0.02) = 0.008% HB ILE 56 - HG3 LYS+ 102 2.500% * 0.0075% (0.13 1.0 1.00 0.02 0.02) = 0.008% HB3 LYS+ 38 - HG3 LYS+ 65 2.500% * 0.0068% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - HG3 LYS+ 106 2.500% * 0.0038% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 38 - HG3 LYS+ 102 2.500% * 0.0037% (0.06 1.0 1.00 0.02 0.66) = 0.004% 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 (0.84) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.41) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.29) kept Peak 291 (1.63, 1.38, 25.23 ppm): 20 chemical-shift based assignments, quality = 0.948, support = 3.87, residual support = 101.8: * O T QD LYS+ 33 - HG3 LYS+ 33 5.000% * 93.4663% (1.00 10.0 10.00 4.14 108.90) = 93.466% kept T QD LYS+ 33 - HG3 LYS+ 106 5.000% * 2.7306% (0.48 1.0 10.00 0.12 0.34) = 2.731% kept T QD LYS+ 33 - HG3 LYS+ 65 5.000% * 0.7982% (0.85 1.0 10.00 0.02 0.98) = 0.798% T HD3 LYS+ 111 - HG3 LYS+ 33 5.000% * 0.7316% (0.78 1.0 10.00 0.02 0.02) = 0.732% T HD3 LYS+ 111 - HG3 LYS+ 65 5.000% * 0.6248% (0.67 1.0 10.00 0.02 0.02) = 0.625% T QD LYS+ 33 - HG3 LYS+ 102 5.000% * 0.4331% (0.46 1.0 10.00 0.02 0.02) = 0.433% T HD3 LYS+ 111 - HG3 LYS+ 106 5.000% * 0.3521% (0.38 1.0 10.00 0.02 0.02) = 0.352% T HD3 LYS+ 111 - HG3 LYS+ 102 5.000% * 0.3390% (0.36 1.0 10.00 0.02 0.02) = 0.339% HB3 LEU 123 - HG3 LYS+ 33 5.000% * 0.0935% (1.00 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 123 - HG3 LYS+ 65 5.000% * 0.0798% (0.85 1.0 1.00 0.02 0.74) = 0.080% QB ALA 57 - HG3 LYS+ 33 5.000% * 0.0679% (0.73 1.0 1.00 0.02 0.02) = 0.068% QB ALA 57 - HG3 LYS+ 65 5.000% * 0.0580% (0.62 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 123 - HG3 LYS+ 106 5.000% * 0.0450% (0.48 1.0 1.00 0.02 0.02) = 0.045% HB3 LEU 123 - HG3 LYS+ 102 5.000% * 0.0433% (0.46 1.0 1.00 0.02 0.02) = 0.043% QB ALA 57 - HG3 LYS+ 106 5.000% * 0.0327% (0.35 1.0 1.00 0.02 0.02) = 0.033% QB ALA 57 - HG3 LYS+ 102 5.000% * 0.0315% (0.34 1.0 1.00 0.02 0.02) = 0.031% HD2 LYS+ 74 - HG3 LYS+ 33 5.000% * 0.0260% (0.28 1.0 1.00 0.02 0.02) = 0.026% HD2 LYS+ 74 - HG3 LYS+ 65 5.000% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% HD2 LYS+ 74 - HG3 LYS+ 106 5.000% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.013% HD2 LYS+ 74 - HG3 LYS+ 102 5.000% * 0.0120% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 292 (2.92, 1.38, 25.23 ppm): 20 chemical-shift based assignments, quality = 0.846, support = 3.25, residual support = 77.3: * O T QE LYS+ 33 - HG3 LYS+ 33 5.000% * 42.6981% (1.00 10.0 10.00 4.36 108.90) = 42.698% kept O T QE LYS+ 65 - HG3 LYS+ 65 5.000% * 28.5410% (0.67 10.0 10.00 4.08 106.91) = 28.541% kept T QE LYS+ 33 - HG3 LYS+ 65 5.000% * 14.8771% (0.85 1.0 10.00 0.82 0.98) = 14.877% kept T QE LYS+ 65 - HG3 LYS+ 33 5.000% * 12.9542% (0.78 1.0 10.00 0.78 0.98) = 12.954% kept T QE LYS+ 33 - HG3 LYS+ 106 5.000% * 0.2055% (0.48 1.0 10.00 0.02 0.34) = 0.206% T QE LYS+ 33 - HG3 LYS+ 102 5.000% * 0.1979% (0.46 1.0 10.00 0.02 0.02) = 0.198% T QE LYS+ 65 - HG3 LYS+ 106 5.000% * 0.1609% (0.38 1.0 10.00 0.02 0.02) = 0.161% T QE LYS+ 65 - HG3 LYS+ 102 5.000% * 0.1549% (0.36 1.0 10.00 0.02 0.02) = 0.155% HB2 ASN 28 - HG3 LYS+ 33 5.000% * 0.0408% (0.96 1.0 1.00 0.02 0.02) = 0.041% HB2 ASN 28 - HG3 LYS+ 65 5.000% * 0.0349% (0.82 1.0 1.00 0.02 0.02) = 0.035% HB2 ASN 28 - HG3 LYS+ 106 5.000% * 0.0196% (0.46 1.0 1.00 0.02 0.02) = 0.020% HB2 ASN 28 - HG3 LYS+ 102 5.000% * 0.0189% (0.44 1.0 1.00 0.02 0.02) = 0.019% HB2 ASP- 86 - HG3 LYS+ 33 5.000% * 0.0183% (0.43 1.0 1.00 0.02 0.02) = 0.018% HB2 ASP- 78 - HG3 LYS+ 33 5.000% * 0.0160% (0.38 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 86 - HG3 LYS+ 65 5.000% * 0.0157% (0.37 1.0 1.00 0.02 0.02) = 0.016% HB2 ASP- 78 - HG3 LYS+ 65 5.000% * 0.0137% (0.32 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 86 - HG3 LYS+ 106 5.000% * 0.0088% (0.21 1.0 1.00 0.02 0.02) = 0.009% HB2 ASP- 86 - HG3 LYS+ 102 5.000% * 0.0085% (0.20 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 78 - HG3 LYS+ 106 5.000% * 0.0077% (0.18 1.0 1.00 0.02 0.02) = 0.008% HB2 ASP- 78 - HG3 LYS+ 102 5.000% * 0.0074% (0.17 1.0 1.00 0.02 0.02) = 0.007% Peak 293 (4.01, 1.63, 29.57 ppm): 14 chemical-shift based assignments, quality = 0.966, support = 2.98, residual support = 80.5: * T HA LYS+ 33 - QD LYS+ 33 7.143% * 73.9158% (1.00 10.00 3.79 108.90) = 73.916% kept T HA GLU- 29 - QD LYS+ 33 7.143% * 24.5308% (0.92 10.00 0.72 0.02) = 24.531% kept T HA LYS+ 33 - HD3 LYS+ 111 7.143% * 0.5781% (0.78 10.00 0.02 0.02) = 0.578% T HA GLU- 29 - HD3 LYS+ 111 7.143% * 0.5336% (0.72 10.00 0.02 0.02) = 0.534% HA VAL 18 - QD LYS+ 33 7.143% * 0.0652% (0.88 1.00 0.02 0.11) = 0.065% HB2 SER 82 - QD LYS+ 33 7.143% * 0.0579% (0.78 1.00 0.02 0.57) = 0.058% HA VAL 70 - QD LYS+ 33 7.143% * 0.0537% (0.73 1.00 0.02 0.02) = 0.054% HA GLN 116 - QD LYS+ 33 7.143% * 0.0537% (0.73 1.00 0.02 0.02) = 0.054% HA VAL 18 - HD3 LYS+ 111 7.143% * 0.0510% (0.69 1.00 0.02 0.02) = 0.051% HB2 SER 82 - HD3 LYS+ 111 7.143% * 0.0452% (0.61 1.00 0.02 0.02) = 0.045% HA GLN 116 - HD3 LYS+ 111 7.143% * 0.0420% (0.57 1.00 0.02 0.02) = 0.042% HA VAL 70 - HD3 LYS+ 111 7.143% * 0.0420% (0.57 1.00 0.02 0.02) = 0.042% HA SER 48 - QD LYS+ 33 7.143% * 0.0174% (0.24 1.00 0.02 0.02) = 0.017% HA SER 48 - HD3 LYS+ 111 7.143% * 0.0136% (0.18 1.00 0.02 0.02) = 0.014% Peak 294 (1.86, 1.63, 29.57 ppm): 20 chemical-shift based assignments, quality = 0.955, support = 3.52, residual support = 73.6: * O T QB LYS+ 33 - QD LYS+ 33 5.000% * 67.3901% (1.00 10.0 10.00 4.80 108.90) = 67.390% kept T HG2 ARG+ 54 - QD LYS+ 33 5.000% * 28.9195% (0.92 1.0 10.00 0.93 0.67) = 28.919% kept HG2 ARG+ 54 - HD3 LYS+ 111 5.000% * 1.9515% (0.72 1.0 1.00 0.80 0.43) = 1.952% kept T HG3 PRO 68 - QD LYS+ 33 5.000% * 0.5629% (0.84 1.0 10.00 0.02 0.02) = 0.563% T QB LYS+ 33 - HD3 LYS+ 111 5.000% * 0.5270% (0.78 1.0 10.00 0.02 0.02) = 0.527% HB3 GLN 90 - QD LYS+ 33 5.000% * 0.0661% (0.98 1.0 1.00 0.02 0.02) = 0.066% HB3 ASP- 105 - QD LYS+ 33 5.000% * 0.0644% (0.96 1.0 1.00 0.02 0.56) = 0.064% QB LYS+ 81 - QD LYS+ 33 5.000% * 0.0622% (0.92 1.0 1.00 0.02 4.99) = 0.062% QB LYS+ 106 - QD LYS+ 33 5.000% * 0.0595% (0.88 1.0 1.00 0.02 0.34) = 0.059% HB ILE 103 - QD LYS+ 33 5.000% * 0.0595% (0.88 1.0 1.00 0.02 0.02) = 0.059% HB3 GLN 90 - HD3 LYS+ 111 5.000% * 0.0517% (0.77 1.0 1.00 0.02 0.02) = 0.052% HB3 ASP- 105 - HD3 LYS+ 111 5.000% * 0.0504% (0.75 1.0 1.00 0.02 0.02) = 0.050% QB LYS+ 81 - HD3 LYS+ 111 5.000% * 0.0487% (0.72 1.0 1.00 0.02 0.02) = 0.049% QB LYS+ 106 - HD3 LYS+ 111 5.000% * 0.0465% (0.69 1.0 1.00 0.02 0.02) = 0.047% HB ILE 103 - HD3 LYS+ 111 5.000% * 0.0465% (0.69 1.0 1.00 0.02 0.02) = 0.047% HG3 PRO 68 - HD3 LYS+ 111 5.000% * 0.0440% (0.65 1.0 1.00 0.02 0.02) = 0.044% HB ILE 56 - QD LYS+ 33 5.000% * 0.0187% (0.28 1.0 1.00 0.02 0.02) = 0.019% HB ILE 56 - HD3 LYS+ 111 5.000% * 0.0147% (0.22 1.0 1.00 0.02 0.83) = 0.015% HB3 LYS+ 38 - QD LYS+ 33 5.000% * 0.0091% (0.14 1.0 1.00 0.02 0.02) = 0.009% HB3 LYS+ 38 - HD3 LYS+ 111 5.000% * 0.0071% (0.11 1.0 1.00 0.02 0.02) = 0.007% Peak 296 (1.38, 1.63, 29.57 ppm): 18 chemical-shift based assignments, quality = 0.904, support = 4.04, residual support = 92.6: * O T HG3 LYS+ 33 - QD LYS+ 33 5.556% * 82.7749% (1.00 10.0 10.00 4.14 108.90) = 82.775% kept HB2 LYS+ 112 - HD3 LYS+ 111 5.556% * 12.4656% (0.61 1.0 1.00 4.92 19.99) = 12.466% kept T HG3 LYS+ 65 - QD LYS+ 33 5.556% * 0.8114% (0.98 1.0 10.00 0.02 0.98) = 0.811% T HG3 LYS+ 102 - QD LYS+ 33 5.556% * 0.7305% (0.88 1.0 10.00 0.02 0.02) = 0.730% T HG3 LYS+ 33 - HD3 LYS+ 111 5.556% * 0.6474% (0.78 1.0 10.00 0.02 0.02) = 0.647% T HG3 LYS+ 65 - HD3 LYS+ 111 5.556% * 0.6345% (0.77 1.0 10.00 0.02 0.02) = 0.635% T HG3 LYS+ 102 - HD3 LYS+ 111 5.556% * 0.5713% (0.69 1.0 10.00 0.02 0.02) = 0.571% T HG3 LYS+ 106 - QD LYS+ 33 5.556% * 0.5021% (0.61 1.0 10.00 0.02 0.34) = 0.502% T HG3 LYS+ 106 - HD3 LYS+ 111 5.556% * 0.3926% (0.47 1.0 10.00 0.02 0.02) = 0.393% HB VAL 42 - QD LYS+ 33 5.556% * 0.0811% (0.98 1.0 1.00 0.02 0.02) = 0.081% HB3 LEU 73 - QD LYS+ 33 5.556% * 0.0764% (0.92 1.0 1.00 0.02 0.02) = 0.076% HB2 LYS+ 112 - QD LYS+ 33 5.556% * 0.0648% (0.78 1.0 1.00 0.02 0.02) = 0.065% HB VAL 42 - HD3 LYS+ 111 5.556% * 0.0635% (0.77 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 73 - HD3 LYS+ 111 5.556% * 0.0598% (0.72 1.0 1.00 0.02 0.11) = 0.060% QB ALA 12 - QD LYS+ 33 5.556% * 0.0502% (0.61 1.0 1.00 0.02 0.02) = 0.050% QB ALA 12 - HD3 LYS+ 111 5.556% * 0.0393% (0.47 1.0 1.00 0.02 0.02) = 0.039% QB LEU 98 - QD LYS+ 33 5.556% * 0.0195% (0.24 1.0 1.00 0.02 0.02) = 0.020% QB LEU 98 - HD3 LYS+ 111 5.556% * 0.0153% (0.18 1.0 1.00 0.02 0.02) = 0.015% 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 (0.61) kept Peak 298 (2.92, 1.63, 29.57 ppm): 10 chemical-shift based assignments, quality = 0.933, support = 3.29, residual support = 80.7: * O T QE LYS+ 33 - QD LYS+ 33 10.000% * 73.8655% (1.00 10.0 10.00 4.16 108.90) = 73.866% kept T QE LYS+ 65 - QD LYS+ 33 10.000% * 24.8728% (0.78 1.0 10.00 0.86 0.98) = 24.873% kept T QE LYS+ 33 - HD3 LYS+ 111 10.000% * 0.5777% (0.78 1.0 10.00 0.02 0.02) = 0.578% T QE LYS+ 65 - HD3 LYS+ 111 10.000% * 0.4522% (0.61 1.0 10.00 0.02 0.02) = 0.452% HB2 ASN 28 - QD LYS+ 33 10.000% * 0.0706% (0.96 1.0 1.00 0.02 0.02) = 0.071% HB2 ASN 28 - HD3 LYS+ 111 10.000% * 0.0552% (0.75 1.0 1.00 0.02 0.02) = 0.055% HB2 ASP- 86 - QD LYS+ 33 10.000% * 0.0317% (0.43 1.0 1.00 0.02 0.02) = 0.032% HB2 ASP- 78 - QD LYS+ 33 10.000% * 0.0277% (0.38 1.0 1.00 0.02 0.02) = 0.028% HB2 ASP- 86 - HD3 LYS+ 111 10.000% * 0.0248% (0.34 1.0 1.00 0.02 0.02) = 0.025% HB2 ASP- 78 - HD3 LYS+ 111 10.000% * 0.0217% (0.29 1.0 1.00 0.02 2.00) = 0.022% Peak 299 (4.01, 2.92, 42.01 ppm): 14 chemical-shift based assignments, quality = 0.932, support = 4.04, residual support = 82.9: * T HA LYS+ 33 - QE LYS+ 33 7.143% * 76.0829% (1.00 10.00 5.18 108.90) = 76.083% kept T HA GLU- 29 - QE LYS+ 33 7.143% * 14.6740% (0.92 10.00 0.42 0.02) = 14.674% kept T HA LYS+ 33 - QE LYS+ 65 7.143% * 7.9214% (0.45 10.00 0.46 0.98) = 7.921% kept HA VAL 18 - QE LYS+ 65 7.143% * 0.6672% (0.40 1.00 0.44 0.13) = 0.667% T HA GLU- 29 - QE LYS+ 65 7.143% * 0.3151% (0.41 10.00 0.02 0.02) = 0.315% HA VAL 18 - QE LYS+ 33 7.143% * 0.0671% (0.88 1.00 0.02 0.11) = 0.067% HB2 SER 82 - QE LYS+ 33 7.143% * 0.0596% (0.78 1.00 0.02 0.57) = 0.060% HA VAL 70 - QE LYS+ 33 7.143% * 0.0552% (0.73 1.00 0.02 0.02) = 0.055% HA GLN 116 - QE LYS+ 33 7.143% * 0.0552% (0.73 1.00 0.02 0.02) = 0.055% HB2 SER 82 - QE LYS+ 65 7.143% * 0.0267% (0.35 1.00 0.02 0.02) = 0.027% HA GLN 116 - QE LYS+ 65 7.143% * 0.0248% (0.33 1.00 0.02 0.02) = 0.025% HA VAL 70 - QE LYS+ 65 7.143% * 0.0248% (0.33 1.00 0.02 0.02) = 0.025% HA SER 48 - QE LYS+ 33 7.143% * 0.0179% (0.24 1.00 0.02 0.02) = 0.018% HA SER 48 - QE LYS+ 65 7.143% * 0.0080% (0.11 1.00 0.02 0.02) = 0.008% Peak 300 (1.86, 2.92, 42.01 ppm): 20 chemical-shift based assignments, quality = 0.935, support = 4.71, residual support = 97.5: * T QB LYS+ 33 - QE LYS+ 33 5.000% * 89.4887% (1.00 10.00 5.22 108.90) = 89.489% kept T QB LYS+ 33 - QE LYS+ 65 5.000% * 8.8967% (0.45 10.00 0.44 0.98) = 8.897% kept QB LYS+ 81 - QE LYS+ 33 5.000% * 0.8161% (0.92 1.00 0.20 4.99) = 0.816% HB3 GLN 90 - QE LYS+ 33 5.000% * 0.0877% (0.98 1.00 0.02 0.02) = 0.088% HB3 ASP- 105 - QE LYS+ 33 5.000% * 0.0856% (0.96 1.00 0.02 0.56) = 0.086% HG2 ARG+ 54 - QE LYS+ 33 5.000% * 0.0826% (0.92 1.00 0.02 0.67) = 0.083% QB LYS+ 106 - QE LYS+ 33 5.000% * 0.0790% (0.88 1.00 0.02 0.34) = 0.079% HB ILE 103 - QE LYS+ 33 5.000% * 0.0790% (0.88 1.00 0.02 0.02) = 0.079% HG3 PRO 68 - QE LYS+ 33 5.000% * 0.0747% (0.84 1.00 0.02 0.02) = 0.075% HB3 GLN 90 - QE LYS+ 65 5.000% * 0.0394% (0.44 1.00 0.02 0.02) = 0.039% HB3 ASP- 105 - QE LYS+ 65 5.000% * 0.0384% (0.43 1.00 0.02 0.02) = 0.038% QB LYS+ 81 - QE LYS+ 65 5.000% * 0.0371% (0.41 1.00 0.02 0.30) = 0.037% HG2 ARG+ 54 - QE LYS+ 65 5.000% * 0.0371% (0.41 1.00 0.02 0.02) = 0.037% QB LYS+ 106 - QE LYS+ 65 5.000% * 0.0354% (0.40 1.00 0.02 0.02) = 0.035% HB ILE 103 - QE LYS+ 65 5.000% * 0.0354% (0.40 1.00 0.02 0.02) = 0.035% HG3 PRO 68 - QE LYS+ 65 5.000% * 0.0335% (0.37 1.00 0.02 0.02) = 0.034% HB ILE 56 - QE LYS+ 33 5.000% * 0.0249% (0.28 1.00 0.02 0.02) = 0.025% HB3 LYS+ 38 - QE LYS+ 33 5.000% * 0.0121% (0.14 1.00 0.02 0.02) = 0.012% HB ILE 56 - QE LYS+ 65 5.000% * 0.0112% (0.12 1.00 0.02 4.85) = 0.011% HB3 LYS+ 38 - QE LYS+ 65 5.000% * 0.0054% (0.06 1.00 0.02 0.02) = 0.005% Peak 302 (1.38, 2.92, 42.01 ppm): 18 chemical-shift based assignments, quality = 0.814, support = 3.2, residual support = 75.6: * O T HG3 LYS+ 33 - QE LYS+ 33 5.556% * 48.2856% (1.00 10.0 10.00 4.36 108.90) = 48.286% kept O T HG3 LYS+ 65 - QE LYS+ 65 5.556% * 21.2344% (0.44 10.0 10.00 4.08 106.91) = 21.234% kept T HG3 LYS+ 65 - QE LYS+ 33 5.556% * 19.3099% (0.98 1.0 10.00 0.82 0.98) = 19.310% kept T HG3 LYS+ 33 - QE LYS+ 65 5.556% * 8.3971% (0.45 1.0 10.00 0.78 0.98) = 8.397% kept T HG3 LYS+ 106 - QE LYS+ 33 5.556% * 1.7776% (0.61 1.0 10.00 0.12 0.34) = 1.778% kept T HG3 LYS+ 102 - QE LYS+ 33 5.556% * 0.4261% (0.88 1.0 10.00 0.02 0.02) = 0.426% T HG3 LYS+ 102 - QE LYS+ 65 5.556% * 0.1912% (0.40 1.0 10.00 0.02 0.02) = 0.191% T HG3 LYS+ 106 - QE LYS+ 65 5.556% * 0.1314% (0.27 1.0 10.00 0.02 0.02) = 0.131% HB VAL 42 - QE LYS+ 33 5.556% * 0.0473% (0.98 1.0 1.00 0.02 0.02) = 0.047% HB3 LEU 73 - QE LYS+ 33 5.556% * 0.0446% (0.92 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 112 - QE LYS+ 33 5.556% * 0.0378% (0.78 1.0 1.00 0.02 0.02) = 0.038% QB ALA 12 - QE LYS+ 33 5.556% * 0.0293% (0.61 1.0 1.00 0.02 0.02) = 0.029% HB VAL 42 - QE LYS+ 65 5.556% * 0.0212% (0.44 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 73 - QE LYS+ 65 5.556% * 0.0200% (0.41 1.0 1.00 0.02 0.02) = 0.020% HB2 LYS+ 112 - QE LYS+ 65 5.556% * 0.0170% (0.35 1.0 1.00 0.02 0.02) = 0.017% QB ALA 12 - QE LYS+ 65 5.556% * 0.0131% (0.27 1.0 1.00 0.02 0.02) = 0.013% QB LEU 98 - QE LYS+ 33 5.556% * 0.0114% (0.24 1.0 1.00 0.02 0.02) = 0.011% QB LEU 98 - QE LYS+ 65 5.556% * 0.0051% (0.11 1.0 1.00 0.02 0.02) = 0.005% Peak 303 (1.63, 2.92, 42.01 ppm): 10 chemical-shift based assignments, quality = 0.9, support = 3.58, residual support = 90.4: * O T QD LYS+ 33 - QE LYS+ 33 10.000% * 82.8323% (1.00 10.0 10.00 4.16 108.90) = 82.832% kept T QD LYS+ 33 - QE LYS+ 65 10.000% * 15.9880% (0.45 1.0 10.00 0.86 0.98) = 15.988% kept T HD3 LYS+ 111 - QE LYS+ 33 10.000% * 0.6483% (0.78 1.0 10.00 0.02 0.02) = 0.648% T HD3 LYS+ 111 - QE LYS+ 65 10.000% * 0.2909% (0.35 1.0 10.00 0.02 0.02) = 0.291% HB3 LEU 123 - QE LYS+ 33 10.000% * 0.0828% (1.00 1.0 1.00 0.02 0.02) = 0.083% QB ALA 57 - QE LYS+ 33 10.000% * 0.0601% (0.73 1.0 1.00 0.02 0.02) = 0.060% HB3 LEU 123 - QE LYS+ 65 10.000% * 0.0372% (0.45 1.0 1.00 0.02 0.74) = 0.037% QB ALA 57 - QE LYS+ 65 10.000% * 0.0270% (0.33 1.0 1.00 0.02 0.02) = 0.027% HD2 LYS+ 74 - QE LYS+ 33 10.000% * 0.0230% (0.28 1.0 1.00 0.02 0.02) = 0.023% HD2 LYS+ 74 - QE LYS+ 65 10.000% * 0.0103% (0.12 1.0 1.00 0.02 0.02) = 0.010% 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 (0.35) kept Peak 305 (4.13, 4.13, 54.46 ppm): 2 diagonal assignments: * HA ALA 34 - HA ALA 34 (0.61) kept HA ALA 124 - HA ALA 124 (0.04) kept Peak 306 (1.28, 4.13, 54.46 ppm): 8 chemical-shift based assignments, quality = 0.616, support = 1.88, residual support = 15.4: * O T QB ALA 34 - HA ALA 34 12.500% * 96.5012% (0.61 10.0 10.00 1.93 16.01) = 96.501% kept QG2 THR 23 - HA ALA 34 12.500% * 3.2443% (0.77 1.0 1.00 0.54 0.02) = 3.244% kept T QB ALA 34 - HA ALA 124 12.500% * 0.1359% (0.09 1.0 10.00 0.02 0.02) = 0.136% QG2 ILE 56 - HA ALA 34 12.500% * 0.0600% (0.38 1.0 1.00 0.02 0.02) = 0.060% HG3 LYS+ 38 - HA ALA 34 12.500% * 0.0291% (0.18 1.0 1.00 0.02 0.02) = 0.029% QG2 THR 23 - HA ALA 124 12.500% * 0.0170% (0.11 1.0 1.00 0.02 0.02) = 0.017% QG2 ILE 56 - HA ALA 124 12.500% * 0.0084% (0.05 1.0 1.00 0.02 0.02) = 0.008% HG3 LYS+ 38 - HA ALA 124 12.500% * 0.0041% (0.03 1.0 1.00 0.02 0.02) = 0.004% Peak 307 (4.13, 1.28, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.608, support = 1.92, residual support = 15.9: * O T HA ALA 34 - QB ALA 34 14.286% * 99.1846% (0.61 10.0 10.00 1.93 16.01) = 99.185% kept T HA ALA 124 - QB ALA 34 14.286% * 0.4114% (0.25 1.0 10.00 0.02 0.02) = 0.411% HA ASN 28 - QB ALA 34 14.286% * 0.1242% (0.77 1.0 1.00 0.02 0.02) = 0.124% HA LEU 115 - QB ALA 34 14.286% * 0.1211% (0.75 1.0 1.00 0.02 0.29) = 0.121% HA1 GLY 101 - QB ALA 34 14.286% * 0.0617% (0.38 1.0 1.00 0.02 0.02) = 0.062% HA ARG+ 54 - QB ALA 34 14.286% * 0.0617% (0.38 1.0 1.00 0.02 0.02) = 0.062% HA GLU- 114 - QB ALA 34 14.286% * 0.0352% (0.22 1.0 1.00 0.02 0.02) = 0.035% Peak 308 (1.28, 1.28, 18.57 ppm): 1 diagonal assignment: * QB ALA 34 - QB ALA 34 (0.61) kept Peak 309 (4.38, 4.38, 56.42 ppm): 1 diagonal assignment: * HA ASN 35 - HA ASN 35 (1.00) kept Peak 310 (2.95, 4.38, 56.42 ppm): 4 chemical-shift based assignments, quality = 0.953, support = 3.77, residual support = 42.1: * O T HB2 ASN 35 - HA ASN 35 25.000% * 94.4896% (1.00 10.0 10.00 3.96 44.57) = 94.490% kept T HB2 ASN 28 - HA ASN 35 25.000% * 5.0564% (0.16 1.0 10.00 0.65 0.21) = 5.056% kept QE LYS+ 65 - HA ASN 35 25.000% * 0.3910% (0.32 1.0 1.00 0.25 0.02) = 0.391% HB2 ASP- 86 - HA ASN 35 25.000% * 0.0630% (0.67 1.0 1.00 0.02 0.02) = 0.063% 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 (0.02) 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 = 0.956, support = 4.25, residual support = 50.8: * O T QB GLU- 36 - HA GLU- 36 20.000% * 82.3449% (1.00 10.0 10.00 5.05 61.63) = 82.345% kept T HB3 GLU- 29 - HA GLU- 36 20.000% * 15.6032% (0.73 1.0 10.00 0.52 0.11) = 15.603% kept HB3 GLU- 79 - HA GLU- 36 20.000% * 2.0002% (0.98 1.0 1.00 0.50 0.02) = 2.000% kept HB2 GLN 90 - HA GLU- 36 20.000% * 0.0354% (0.43 1.0 1.00 0.02 0.02) = 0.035% HG3 GLU- 29 - HA GLU- 36 20.000% * 0.0163% (0.20 1.0 1.00 0.02 0.11) = 0.016% Peak 316 (2.46, 4.10, 58.69 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.29, residual support = 61.6: * O T HG2 GLU- 36 - HA GLU- 36 33.333% * 99.8930% (1.00 10.0 10.00 3.30 61.63) = 99.893% kept HG3 MET 96 - HA GLU- 36 33.333% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 ASP- 62 - HA GLU- 36 33.333% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 317 (2.31, 4.10, 58.69 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.29, residual support = 61.4: * O T HG3 GLU- 36 - HA GLU- 36 16.667% * 99.6569% (1.00 10.0 10.00 3.30 61.63) = 99.657% kept HG2 MET 92 - HA GLU- 36 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% QG GLU- 114 - HA GLU- 36 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HA GLU- 36 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 52 - HA GLU- 36 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 25 - HA GLU- 36 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 328 (4.10, 2.46, 36.40 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 61.5: * O T HA GLU- 36 - HG2 GLU- 36 25.000% * 99.8435% (1.00 10.0 10.00 3.30 61.63) = 99.844% kept HA LYS+ 81 - HG2 GLU- 36 25.000% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ALA 124 - HG2 GLU- 36 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA ARG+ 54 - HG2 GLU- 36 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 329 (2.15, 2.46, 36.40 ppm): 5 chemical-shift based assignments, quality = 0.996, support = 3.93, residual support = 60.1: * O QB GLU- 36 - HG2 GLU- 36 20.000% * 97.5772% (1.00 10.0 4.02 61.63) = 97.577% kept HB3 GLU- 79 - HG2 GLU- 36 20.000% * 1.3190% (0.98 1.0 0.28 0.02) = 1.319% kept HB3 GLU- 29 - HG2 GLU- 36 20.000% * 1.0425% (0.73 1.0 0.29 0.11) = 1.043% kept HB2 GLN 90 - HG2 GLU- 36 20.000% * 0.0419% (0.43 1.0 0.02 0.02) = 0.042% HG3 GLU- 29 - HG2 GLU- 36 20.000% * 0.0193% (0.20 1.0 0.02 0.11) = 0.019% 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): 6 chemical-shift based assignments, quality = 0.997, support = 2.99, residual support = 61.4: * O T HG3 GLU- 36 - HG2 GLU- 36 16.667% * 99.6569% (1.00 10.0 10.00 3.00 61.63) = 99.657% kept HG2 MET 92 - HG2 GLU- 36 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% QG GLU- 114 - HG2 GLU- 36 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HG2 GLU- 36 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 52 - HG2 GLU- 36 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 25 - HG2 GLU- 36 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 333 (4.10, 2.31, 36.40 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.29, residual support = 61.5: * O T HA GLU- 36 - HG3 GLU- 36 25.000% * 99.8435% (1.00 10.0 10.00 3.30 61.63) = 99.844% kept HA LYS+ 81 - HG3 GLU- 36 25.000% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ALA 124 - HG3 GLU- 36 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA ARG+ 54 - HG3 GLU- 36 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 334 (2.15, 2.31, 36.40 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 3.92, residual support = 60.0: * O QB GLU- 36 - HG3 GLU- 36 20.000% * 97.2785% (1.00 10.0 4.02 61.63) = 97.278% kept HB3 GLU- 79 - HG3 GLU- 36 20.000% * 1.3150% (0.98 1.0 0.28 0.02) = 1.315% kept HB3 GLU- 29 - HG3 GLU- 36 20.000% * 1.0394% (0.73 1.0 0.29 0.11) = 1.039% kept HB2 GLN 90 - HG3 GLU- 36 20.000% * 0.3479% (0.43 1.0 0.17 0.02) = 0.348% HG3 GLU- 29 - HG3 GLU- 36 20.000% * 0.0193% (0.20 1.0 0.02 0.11) = 0.019% Peak 336 (2.46, 2.31, 36.40 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 61.6: * O T HG2 GLU- 36 - HG3 GLU- 36 33.333% * 99.8930% (1.00 10.0 10.00 3.00 61.63) = 99.893% kept HG3 MET 96 - HG3 GLU- 36 33.333% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 ASP- 62 - HG3 GLU- 36 33.333% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 337 (2.31, 2.31, 36.40 ppm): 1 diagonal assignment: * HG3 GLU- 36 - HG3 GLU- 36 (1.00) 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 (0.96) kept HA SER 13 - HA SER 13 (0.07) kept Peak 339 (4.03, 4.42, 58.68 ppm): 12 chemical-shift based assignments, quality = 0.971, support = 2.23, residual support = 23.4: * O T HB2 SER 37 - HA SER 37 8.333% * 96.4569% (1.00 10.0 10.00 2.31 24.23) = 96.457% kept T HB2 SER 37 - HA SER 13 8.333% * 2.3681% (0.26 1.0 10.00 0.19 0.02) = 2.368% kept T HB2 SER 37 - HA THR 46 8.333% * 0.9452% (0.98 1.0 10.00 0.02 0.02) = 0.945% HA1 GLY 16 - HA SER 37 8.333% * 0.0643% (0.67 1.0 1.00 0.02 0.02) = 0.064% HA1 GLY 16 - HA THR 46 8.333% * 0.0630% (0.65 1.0 1.00 0.02 0.02) = 0.063% HA VAL 70 - HA SER 37 8.333% * 0.0191% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA GLN 116 - HA SER 37 8.333% * 0.0191% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA VAL 70 - HA THR 46 8.333% * 0.0187% (0.19 1.0 1.00 0.02 0.02) = 0.019% HA GLN 116 - HA THR 46 8.333% * 0.0187% (0.19 1.0 1.00 0.02 0.02) = 0.019% HA1 GLY 16 - HA SER 13 8.333% * 0.0169% (0.18 1.0 1.00 0.02 0.02) = 0.017% HA VAL 70 - HA SER 13 8.333% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HA GLN 116 - HA SER 13 8.333% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 340 (3.88, 4.42, 58.68 ppm): 15 chemical-shift based assignments, quality = 0.569, support = 2.14, residual support = 20.4: * O T HB3 SER 37 - HA SER 37 6.667% * 81.5414% (0.67 10.0 10.00 2.31 24.23) = 81.541% kept O T QB SER 13 - HA SER 13 6.667% * 12.0409% (0.10 10.0 10.00 1.93 4.63) = 12.041% kept HB THR 39 - HA SER 37 6.667% * 2.1875% (0.43 1.0 1.00 0.83 2.96) = 2.187% kept T HB3 SER 37 - HA SER 13 6.667% * 2.0019% (0.18 1.0 10.00 0.19 0.02) = 2.002% kept T HB3 SER 37 - HA THR 46 6.667% * 0.7990% (0.65 1.0 10.00 0.02 0.02) = 0.799% T QB SER 13 - HA SER 37 6.667% * 0.4588% (0.38 1.0 10.00 0.02 0.02) = 0.459% T QB SER 13 - HA THR 46 6.667% * 0.4496% (0.37 1.0 10.00 0.02 0.02) = 0.450% HB THR 118 - HA SER 37 6.667% * 0.1216% (1.00 1.0 1.00 0.02 0.02) = 0.122% HB THR 118 - HA THR 46 6.667% * 0.1192% (0.98 1.0 1.00 0.02 0.02) = 0.119% HA ILE 89 - HA SER 37 6.667% * 0.0815% (0.67 1.0 1.00 0.02 0.02) = 0.082% HA ILE 89 - HA THR 46 6.667% * 0.0799% (0.65 1.0 1.00 0.02 0.02) = 0.080% HB THR 39 - HA THR 46 6.667% * 0.0515% (0.42 1.0 1.00 0.02 0.02) = 0.051% HB THR 118 - HA SER 13 6.667% * 0.0319% (0.26 1.0 1.00 0.02 0.02) = 0.032% HA ILE 89 - HA SER 13 6.667% * 0.0214% (0.18 1.0 1.00 0.02 0.02) = 0.021% HB THR 39 - HA SER 13 6.667% * 0.0138% (0.11 1.0 1.00 0.02 0.02) = 0.014% Peak 341 (4.42, 4.03, 64.19 ppm): 7 chemical-shift based assignments, quality = 0.986, support = 2.28, residual support = 23.9: * O T HA SER 37 - HB2 SER 37 14.286% * 98.5784% (1.00 10.0 10.00 2.31 24.23) = 98.578% kept T HA THR 46 - HB2 SER 37 14.286% * 0.9663% (0.98 1.0 10.00 0.02 0.02) = 0.966% T HA SER 13 - HB2 SER 37 14.286% * 0.2741% (0.28 1.0 10.00 0.02 0.02) = 0.274% HA GLN 17 - HB2 SER 37 14.286% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA VAL 42 - HB2 SER 37 14.286% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 15 - HB2 SER 37 14.286% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA PRO 58 - HB2 SER 37 14.286% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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): 5 chemical-shift based assignments, quality = 0.665, support = 1.93, residual support = 23.3: * O T HB3 SER 37 - HB2 SER 37 20.000% * 95.9248% (0.67 10.0 10.00 2.00 24.23) = 95.925% kept HB THR 118 - HB2 SER 37 20.000% * 1.8575% (1.00 1.0 1.00 0.26 0.02) = 1.857% kept HB THR 39 - HB2 SER 37 20.000% * 1.5820% (0.43 1.0 1.00 0.51 2.96) = 1.582% kept T QB SER 13 - HB2 SER 37 20.000% * 0.5398% (0.38 1.0 10.00 0.02 0.02) = 0.540% HA ILE 89 - HB2 SER 37 20.000% * 0.0959% (0.67 1.0 1.00 0.02 0.02) = 0.096% Peak 344 (4.42, 3.88, 64.19 ppm): 14 chemical-shift based assignments, quality = 0.571, support = 2.17, residual support = 20.7: * O T HA SER 37 - HB3 SER 37 7.143% * 83.0380% (0.67 10.0 10.00 2.31 24.23) = 83.038% kept O T HA SER 13 - QB SER 13 7.143% * 12.8364% (0.10 10.0 10.00 1.93 4.63) = 12.836% kept T HA SER 13 - HB3 SER 37 7.143% * 2.1599% (0.19 1.0 10.00 0.19 0.02) = 2.160% kept T HA THR 46 - HB3 SER 37 7.143% * 0.8139% (0.65 1.0 10.00 0.02 0.02) = 0.814% T HA SER 37 - QB SER 13 7.143% * 0.4617% (0.37 1.0 10.00 0.02 0.02) = 0.462% T HA THR 46 - QB SER 13 7.143% * 0.4525% (0.36 1.0 10.00 0.02 0.02) = 0.453% HA GLN 17 - HB3 SER 37 7.143% * 0.0830% (0.67 1.0 1.00 0.02 0.02) = 0.083% HA GLN 17 - QB SER 13 7.143% * 0.0462% (0.37 1.0 1.00 0.02 0.02) = 0.046% HA VAL 42 - HB3 SER 37 7.143% * 0.0270% (0.22 1.0 1.00 0.02 0.02) = 0.027% HA GLU- 15 - HB3 SER 37 7.143% * 0.0231% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA PRO 58 - HB3 SER 37 7.143% * 0.0196% (0.16 1.0 1.00 0.02 0.02) = 0.020% HA VAL 42 - QB SER 13 7.143% * 0.0150% (0.12 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 15 - QB SER 13 7.143% * 0.0128% (0.10 1.0 1.00 0.02 0.02) = 0.013% HA PRO 58 - QB SER 13 7.143% * 0.0109% (0.09 1.0 1.00 0.02 0.02) = 0.011% Peak 345 (4.03, 3.88, 64.19 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 1.99, residual support = 24.1: * O T HB2 SER 37 - HB3 SER 37 12.500% * 99.2838% (0.67 10.0 10.00 2.00 24.23) = 99.284% kept T HB2 SER 37 - QB SER 13 12.500% * 0.5520% (0.37 1.0 10.00 0.02 0.02) = 0.552% HA1 GLY 16 - HB3 SER 37 12.500% * 0.0662% (0.44 1.0 1.00 0.02 0.02) = 0.066% HA1 GLY 16 - QB SER 13 12.500% * 0.0368% (0.25 1.0 1.00 0.02 0.02) = 0.037% HA VAL 70 - HB3 SER 37 12.500% * 0.0196% (0.13 1.0 1.00 0.02 0.02) = 0.020% HA GLN 116 - HB3 SER 37 12.500% * 0.0196% (0.13 1.0 1.00 0.02 0.02) = 0.020% HA GLN 116 - QB SER 13 12.500% * 0.0109% (0.07 1.0 1.00 0.02 0.02) = 0.011% HA VAL 70 - QB SER 13 12.500% * 0.0109% (0.07 1.0 1.00 0.02 0.02) = 0.011% Peak 346 (3.88, 3.88, 64.19 ppm): 2 diagonal assignments: * HB3 SER 37 - HB3 SER 37 (0.44) kept QB SER 13 - QB SER 13 (0.14) 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): 3 chemical-shift based assignments, quality = 0.997, support = 6.61, residual support = 194.7: * O T HB2 LYS+ 38 - HA LYS+ 38 33.333% * 99.7078% (1.00 10.0 10.00 6.63 195.26) = 99.708% kept HG3 GLU- 29 - HA LYS+ 38 33.333% * 0.2687% (0.49 1.0 1.00 0.11 0.02) = 0.269% HB2 GLN 90 - HA LYS+ 38 33.333% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 349 (1.88, 3.78, 58.04 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 5.6, residual support = 194.5: * O T HB3 LYS+ 38 - HA LYS+ 38 11.111% * 99.6230% (1.00 10.0 10.00 5.62 195.26) = 99.623% kept HB ILE 56 - HA LYS+ 38 11.111% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 GLN 30 - HA LYS+ 38 11.111% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 MET 92 - HA LYS+ 38 11.111% * 0.0664% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 PRO 58 - HA LYS+ 38 11.111% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 106 - HA LYS+ 38 11.111% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB LYS+ 81 - HA LYS+ 38 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.11) = 0.028% HB3 GLN 90 - HA LYS+ 38 11.111% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% QB LYS+ 33 - HA LYS+ 38 11.111% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 350 (1.32, 3.78, 58.04 ppm): 8 chemical-shift based assignments, quality = 0.97, support = 5.98, residual support = 183.6: * O T HG2 LYS+ 38 - HA LYS+ 38 12.500% * 93.9808% (1.00 10.0 10.00 6.31 195.26) = 93.981% kept QB ALA 88 - HA LYS+ 38 12.500% * 3.2913% (0.67 1.0 1.00 1.05 0.02) = 3.291% kept HB2 LEU 31 - HA LYS+ 38 12.500% * 1.7155% (0.49 1.0 1.00 0.75 3.54) = 1.715% kept T HG2 LYS+ 99 - HA LYS+ 38 12.500% * 0.8985% (0.96 1.0 10.00 0.02 0.60) = 0.898% HG2 LYS+ 111 - HA LYS+ 38 12.500% * 0.0570% (0.61 1.0 1.00 0.02 0.02) = 0.057% HB3 LEU 80 - HA LYS+ 38 12.500% * 0.0261% (0.28 1.0 1.00 0.02 0.02) = 0.026% QG2 THR 77 - HA LYS+ 38 12.500% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 63 - HA LYS+ 38 12.500% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 351 (1.26, 3.78, 58.04 ppm): 7 chemical-shift based assignments, quality = 0.963, support = 6.11, residual support = 166.1: * O T HG3 LYS+ 38 - HA LYS+ 38 14.286% * 83.2290% (1.00 10.0 10.00 6.72 195.26) = 83.229% kept QG2 THR 39 - HA LYS+ 38 14.286% * 12.6083% (0.78 1.0 1.00 3.87 28.42) = 12.608% kept QG2 ILE 56 - HA LYS+ 38 14.286% * 2.7544% (0.88 1.0 1.00 0.75 0.02) = 2.754% kept QB ALA 34 - HA LYS+ 38 14.286% * 1.3064% (0.61 1.0 1.00 0.52 0.02) = 1.306% kept QB ALA 91 - HA LYS+ 38 14.286% * 0.0651% (0.78 1.0 1.00 0.02 0.02) = 0.065% HG13 ILE 19 - HA LYS+ 38 14.286% * 0.0231% (0.28 1.0 1.00 0.02 0.02) = 0.023% QG2 THR 23 - HA LYS+ 38 14.286% * 0.0137% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 352 (1.67, 3.78, 58.04 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 5.68, residual support = 193.1: * T QD LYS+ 38 - HA LYS+ 38 14.286% * 98.8858% (1.00 10.00 5.74 195.26) = 98.886% kept T QD LYS+ 65 - HA LYS+ 38 14.286% * 0.8260% (0.84 10.00 0.02 0.02) = 0.826% HB VAL 83 - HA LYS+ 38 14.286% * 0.0913% (0.92 1.00 0.02 0.02) = 0.091% HB2 LYS+ 121 - HA LYS+ 38 14.286% * 0.0774% (0.78 1.00 0.02 0.02) = 0.077% QD LYS+ 102 - HA LYS+ 38 14.286% * 0.0600% (0.61 1.00 0.02 0.66) = 0.060% HG3 PRO 93 - HA LYS+ 38 14.286% * 0.0321% (0.32 1.00 0.02 0.02) = 0.032% HB2 LEU 123 - HA LYS+ 38 14.286% * 0.0275% (0.28 1.00 0.02 0.02) = 0.027% Peak 353 (3.78, 2.18, 29.57 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 6.56, residual support = 193.3: * O T HA LYS+ 38 - HB2 LYS+ 38 50.000% * 99.0040% (1.00 10.0 10.00 6.63 195.26) = 99.004% kept HA VAL 24 - HB2 LYS+ 38 50.000% * 0.9960% (0.38 1.0 1.00 0.54 0.02) = 0.996% 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): 9 chemical-shift based assignments, quality = 0.996, support = 5.66, residual support = 194.5: * O T HB3 LYS+ 38 - HB2 LYS+ 38 11.111% * 99.6230% (1.00 10.0 10.00 5.68 195.26) = 99.623% kept HB ILE 56 - HB2 LYS+ 38 11.111% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 GLN 30 - HB2 LYS+ 38 11.111% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 MET 92 - HB2 LYS+ 38 11.111% * 0.0664% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 PRO 58 - HB2 LYS+ 38 11.111% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 106 - HB2 LYS+ 38 11.111% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB LYS+ 81 - HB2 LYS+ 38 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.11) = 0.028% HB3 GLN 90 - HB2 LYS+ 38 11.111% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% QB LYS+ 33 - HB2 LYS+ 38 11.111% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 356 (1.32, 2.18, 29.57 ppm): 8 chemical-shift based assignments, quality = 0.971, support = 5.7, residual support = 183.7: * O T HG2 LYS+ 38 - HB2 LYS+ 38 12.500% * 94.0407% (1.00 10.0 10.00 6.01 195.26) = 94.041% kept QB ALA 88 - HB2 LYS+ 38 12.500% * 3.6620% (0.67 1.0 1.00 1.17 0.02) = 3.662% kept HB2 LEU 31 - HB2 LYS+ 38 12.500% * 1.2842% (0.49 1.0 1.00 0.56 3.54) = 1.284% kept T HG2 LYS+ 99 - HB2 LYS+ 38 12.500% * 0.8990% (0.96 1.0 10.00 0.02 0.60) = 0.899% HG2 LYS+ 111 - HB2 LYS+ 38 12.500% * 0.0570% (0.61 1.0 1.00 0.02 0.02) = 0.057% HB3 LEU 80 - HB2 LYS+ 38 12.500% * 0.0261% (0.28 1.0 1.00 0.02 0.02) = 0.026% QG2 THR 77 - HB2 LYS+ 38 12.500% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% HB2 LEU 63 - HB2 LYS+ 38 12.500% * 0.0155% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 357 (1.26, 2.18, 29.57 ppm): 7 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 170.6: * O T HG3 LYS+ 38 - HB2 LYS+ 38 14.286% * 85.6860% (1.00 10.0 10.00 6.21 195.26) = 85.686% kept QG2 THR 39 - HB2 LYS+ 38 14.286% * 11.6128% (0.78 1.0 1.00 3.46 28.42) = 11.613% kept QB ALA 34 - HB2 LYS+ 38 14.286% * 1.5483% (0.61 1.0 1.00 0.60 0.02) = 1.548% kept QB ALA 91 - HB2 LYS+ 38 14.286% * 1.0394% (0.78 1.0 1.00 0.31 0.02) = 1.039% kept QG2 ILE 56 - HB2 LYS+ 38 14.286% * 0.0756% (0.88 1.0 1.00 0.02 0.02) = 0.076% HG13 ILE 19 - HB2 LYS+ 38 14.286% * 0.0238% (0.28 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 23 - HB2 LYS+ 38 14.286% * 0.0141% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 359 (3.78, 1.88, 29.57 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 5.61, residual support = 194.8: * O T HA LYS+ 38 - HB3 LYS+ 38 50.000% * 99.7388% (1.00 10.0 10.00 5.62 195.26) = 99.739% kept HA VAL 24 - HB3 LYS+ 38 50.000% * 0.2612% (0.38 1.0 1.00 0.14 0.02) = 0.261% Peak 360 (2.18, 1.88, 29.57 ppm): 3 chemical-shift based assignments, quality = 0.997, support = 5.67, residual support = 194.7: * O T HB2 LYS+ 38 - HB3 LYS+ 38 33.333% * 99.7164% (1.00 10.0 10.00 5.68 195.26) = 99.716% kept T HB2 GLN 90 - HB3 LYS+ 38 33.333% * 0.2351% (0.24 1.0 10.00 0.02 0.02) = 0.235% HG3 GLU- 29 - HB3 LYS+ 38 33.333% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% 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): 8 chemical-shift based assignments, quality = 0.978, support = 5.12, residual support = 187.8: * O T HG2 LYS+ 38 - HB3 LYS+ 38 12.500% * 96.1657% (1.00 10.0 10.00 5.31 195.26) = 96.166% kept QB ALA 88 - HB3 LYS+ 38 12.500% * 1.4851% (0.67 1.0 1.00 0.46 0.02) = 1.485% kept HB2 LEU 31 - HB3 LYS+ 38 12.500% * 1.3132% (0.49 1.0 1.00 0.56 3.54) = 1.313% kept T HG2 LYS+ 99 - HB3 LYS+ 38 12.500% * 0.9193% (0.96 1.0 10.00 0.02 0.60) = 0.919% HG2 LYS+ 111 - HB3 LYS+ 38 12.500% * 0.0583% (0.61 1.0 1.00 0.02 0.02) = 0.058% HB3 LEU 80 - HB3 LYS+ 38 12.500% * 0.0267% (0.28 1.0 1.00 0.02 0.02) = 0.027% QG2 THR 77 - HB3 LYS+ 38 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 LEU 63 - HB3 LYS+ 38 12.500% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 363 (1.26, 1.88, 29.57 ppm): 7 chemical-shift based assignments, quality = 0.967, support = 4.96, residual support = 175.0: * O T HG3 LYS+ 38 - HB3 LYS+ 38 14.286% * 87.9956% (1.00 10.0 10.00 5.23 195.26) = 87.996% kept QG2 THR 39 - HB3 LYS+ 38 14.286% * 11.0667% (0.78 1.0 1.00 3.21 28.42) = 11.067% kept T QG2 ILE 56 - HB3 LYS+ 38 14.286% * 0.7766% (0.88 1.0 10.00 0.02 0.02) = 0.777% QB ALA 91 - HB3 LYS+ 38 14.286% * 0.0689% (0.78 1.0 1.00 0.02 0.02) = 0.069% QB ALA 34 - HB3 LYS+ 38 14.286% * 0.0534% (0.61 1.0 1.00 0.02 0.02) = 0.053% HG13 ILE 19 - HB3 LYS+ 38 14.286% * 0.0245% (0.28 1.0 1.00 0.02 0.02) = 0.024% QG2 THR 23 - HB3 LYS+ 38 14.286% * 0.0145% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 364 (1.67, 1.88, 29.57 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 4.58, residual support = 193.1: * O T QD LYS+ 38 - HB3 LYS+ 38 14.286% * 98.8858% (1.00 10.0 10.00 4.63 195.26) = 98.886% kept T QD LYS+ 65 - HB3 LYS+ 38 14.286% * 0.8260% (0.84 1.0 10.00 0.02 0.02) = 0.826% HB VAL 83 - HB3 LYS+ 38 14.286% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 LYS+ 121 - HB3 LYS+ 38 14.286% * 0.0774% (0.78 1.0 1.00 0.02 0.02) = 0.077% QD LYS+ 102 - HB3 LYS+ 38 14.286% * 0.0600% (0.61 1.0 1.00 0.02 0.66) = 0.060% HG3 PRO 93 - HB3 LYS+ 38 14.286% * 0.0321% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 123 - HB3 LYS+ 38 14.286% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 365 (3.78, 1.32, 25.69 ppm): 4 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 194.7: * O T HA LYS+ 38 - HG2 LYS+ 38 25.000% * 99.6877% (1.00 10.0 10.00 6.31 195.26) = 99.688% kept T HA LYS+ 38 - HG2 LYS+ 99 25.000% * 0.2650% (0.27 1.0 10.00 0.02 0.60) = 0.265% HA VAL 24 - HG2 LYS+ 38 25.000% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA VAL 24 - HG2 LYS+ 99 25.000% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% Peak 366 (2.18, 1.32, 25.69 ppm): 6 chemical-shift based assignments, quality = 0.996, support = 5.99, residual support = 194.6: * O T HB2 LYS+ 38 - HG2 LYS+ 38 16.667% * 99.6440% (1.00 10.0 10.00 6.01 195.26) = 99.644% kept T HB2 LYS+ 38 - HG2 LYS+ 99 16.667% * 0.2649% (0.27 1.0 10.00 0.02 0.60) = 0.265% HG3 GLU- 29 - HG2 LYS+ 38 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB2 GLN 90 - HG2 LYS+ 38 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG3 GLU- 29 - HG2 LYS+ 99 16.667% * 0.0129% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB2 GLN 90 - HG2 LYS+ 99 16.667% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 367 (1.88, 1.32, 25.69 ppm): 18 chemical-shift based assignments, quality = 0.993, support = 5.27, residual support = 193.8: * O T HB3 LYS+ 38 - HG2 LYS+ 38 5.556% * 99.2607% (1.00 10.0 10.00 5.31 195.26) = 99.261% kept T HB3 LYS+ 38 - HG2 LYS+ 99 5.556% * 0.2638% (0.27 1.0 10.00 0.02 0.60) = 0.264% HB ILE 56 - HG2 LYS+ 38 5.556% * 0.0916% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 GLN 30 - HG2 LYS+ 38 5.556% * 0.0876% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 MET 92 - HG2 LYS+ 38 5.556% * 0.0662% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 PRO 58 - HG2 LYS+ 38 5.556% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 106 - HG2 LYS+ 38 5.556% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB LYS+ 81 - HG2 LYS+ 38 5.556% * 0.0276% (0.28 1.0 1.00 0.02 0.11) = 0.028% HB ILE 56 - HG2 LYS+ 99 5.556% * 0.0244% (0.25 1.0 1.00 0.02 0.02) = 0.024% HB3 GLN 30 - HG2 LYS+ 99 5.556% * 0.0233% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB3 GLN 90 - HG2 LYS+ 38 5.556% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 MET 92 - HG2 LYS+ 99 5.556% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% QB LYS+ 33 - HG2 LYS+ 38 5.556% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 58 - HG2 LYS+ 99 5.556% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% QB LYS+ 106 - HG2 LYS+ 99 5.556% * 0.0086% (0.09 1.0 1.00 0.02 0.02) = 0.009% QB LYS+ 81 - HG2 LYS+ 99 5.556% * 0.0073% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 GLN 90 - HG2 LYS+ 99 5.556% * 0.0052% (0.05 1.0 1.00 0.02 0.02) = 0.005% QB LYS+ 33 - HG2 LYS+ 99 5.556% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 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 (0.25) kept Peak 369 (1.26, 1.32, 25.69 ppm): 14 chemical-shift based assignments, quality = 0.946, support = 5.68, residual support = 168.3: * O T HG3 LYS+ 38 - HG2 LYS+ 38 7.143% * 84.4509% (1.00 10.0 10.00 6.22 195.26) = 84.451% kept QG2 THR 39 - HG2 LYS+ 38 7.143% * 11.7125% (0.78 1.0 1.00 3.54 28.42) = 11.712% kept T HG3 LYS+ 38 - HG2 LYS+ 99 7.143% * 3.5289% (0.27 1.0 10.00 0.31 0.60) = 3.529% kept QG2 ILE 56 - HG2 LYS+ 38 7.143% * 0.0745% (0.88 1.0 1.00 0.02 0.02) = 0.075% QB ALA 91 - HG2 LYS+ 38 7.143% * 0.0661% (0.78 1.0 1.00 0.02 0.02) = 0.066% QB ALA 34 - HG2 LYS+ 38 7.143% * 0.0512% (0.61 1.0 1.00 0.02 0.02) = 0.051% HG13 ILE 19 - HG2 LYS+ 38 7.143% * 0.0235% (0.28 1.0 1.00 0.02 0.02) = 0.023% QG2 ILE 56 - HG2 LYS+ 99 7.143% * 0.0198% (0.23 1.0 1.00 0.02 0.02) = 0.020% QG2 THR 39 - HG2 LYS+ 99 7.143% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB ALA 91 - HG2 LYS+ 99 7.143% * 0.0176% (0.21 1.0 1.00 0.02 0.02) = 0.018% QG2 THR 23 - HG2 LYS+ 38 7.143% * 0.0139% (0.16 1.0 1.00 0.02 0.02) = 0.014% QB ALA 34 - HG2 LYS+ 99 7.143% * 0.0136% (0.16 1.0 1.00 0.02 0.02) = 0.014% HG13 ILE 19 - HG2 LYS+ 99 7.143% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% QG2 THR 23 - HG2 LYS+ 99 7.143% * 0.0037% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 370 (1.67, 1.32, 25.69 ppm): 14 chemical-shift based assignments, quality = 0.977, support = 5.29, residual support = 190.7: * O T QD LYS+ 38 - HG2 LYS+ 38 7.143% * 97.6724% (1.00 10.0 10.00 5.42 195.26) = 97.672% kept T QD LYS+ 65 - HG2 LYS+ 38 7.143% * 0.8158% (0.84 1.0 10.00 0.02 0.02) = 0.816% T QD LYS+ 102 - HG2 LYS+ 38 7.143% * 0.5924% (0.61 1.0 10.00 0.02 0.66) = 0.592% T QD LYS+ 38 - HG2 LYS+ 99 7.143% * 0.2596% (0.27 1.0 10.00 0.02 0.60) = 0.260% T QD LYS+ 65 - HG2 LYS+ 99 7.143% * 0.2168% (0.22 1.0 10.00 0.02 0.02) = 0.217% T QD LYS+ 102 - HG2 LYS+ 99 7.143% * 0.1575% (0.16 1.0 10.00 0.02 0.02) = 0.157% HB VAL 83 - HG2 LYS+ 38 7.143% * 0.0902% (0.92 1.0 1.00 0.02 0.02) = 0.090% HB2 LYS+ 121 - HG2 LYS+ 38 7.143% * 0.0764% (0.78 1.0 1.00 0.02 0.02) = 0.076% HG3 PRO 93 - HG2 LYS+ 38 7.143% * 0.0317% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 123 - HG2 LYS+ 38 7.143% * 0.0272% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB VAL 83 - HG2 LYS+ 99 7.143% * 0.0240% (0.25 1.0 1.00 0.02 0.64) = 0.024% HB2 LYS+ 121 - HG2 LYS+ 99 7.143% * 0.0203% (0.21 1.0 1.00 0.02 0.02) = 0.020% HG3 PRO 93 - HG2 LYS+ 99 7.143% * 0.0084% (0.09 1.0 1.00 0.02 0.26) = 0.008% HB2 LEU 123 - HG2 LYS+ 99 7.143% * 0.0072% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 371 (3.78, 1.26, 25.69 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 6.68, residual support = 194.1: * O T HA LYS+ 38 - HG3 LYS+ 38 50.000% * 99.3895% (1.00 10.0 10.00 6.72 195.26) = 99.389% kept HA VAL 24 - HG3 LYS+ 38 50.000% * 0.6105% (0.38 1.0 1.00 0.33 0.02) = 0.611% Peak 372 (2.18, 1.26, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.21, residual support = 195.1: * O T HB2 LYS+ 38 - HG3 LYS+ 38 33.333% * 99.9278% (1.00 10.0 10.00 6.21 195.26) = 99.928% kept HG3 GLU- 29 - HG3 LYS+ 38 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB2 GLN 90 - HG3 LYS+ 38 33.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 373 (1.88, 1.26, 25.69 ppm): 9 chemical-shift based assignments, quality = 0.994, support = 4.97, residual support = 185.3: * O T HB3 LYS+ 38 - HG3 LYS+ 38 11.111% * 94.8914% (1.00 10.0 10.00 5.23 195.26) = 94.891% kept T HB ILE 56 - HG3 LYS+ 38 11.111% * 4.8371% (0.92 1.0 10.00 0.11 0.02) = 4.837% kept HB3 GLN 30 - HG3 LYS+ 38 11.111% * 0.0837% (0.88 1.0 1.00 0.02 0.02) = 0.084% HB2 MET 92 - HG3 LYS+ 38 11.111% * 0.0633% (0.67 1.0 1.00 0.02 0.02) = 0.063% HB3 PRO 58 - HG3 LYS+ 38 11.111% * 0.0356% (0.38 1.0 1.00 0.02 0.02) = 0.036% QB LYS+ 106 - HG3 LYS+ 38 11.111% * 0.0308% (0.32 1.0 1.00 0.02 0.02) = 0.031% QB LYS+ 81 - HG3 LYS+ 38 11.111% * 0.0264% (0.28 1.0 1.00 0.02 0.11) = 0.026% HB3 GLN 90 - HG3 LYS+ 38 11.111% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB LYS+ 33 - HG3 LYS+ 38 11.111% * 0.0128% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 374 (1.32, 1.26, 25.69 ppm): 8 chemical-shift based assignments, quality = 0.981, support = 5.29, residual support = 164.3: * O T HG2 LYS+ 38 - HG3 LYS+ 38 12.500% * 84.0669% (1.00 10.0 10.00 6.22 195.26) = 84.067% kept T HG2 LYS+ 99 - HG3 LYS+ 38 12.500% * 12.6343% (0.96 1.0 10.00 0.31 0.60) = 12.634% kept QB ALA 88 - HG3 LYS+ 38 12.500% * 2.0488% (0.67 1.0 1.00 0.73 0.02) = 2.049% kept HB2 LEU 31 - HG3 LYS+ 38 12.500% * 1.1480% (0.49 1.0 1.00 0.56 3.54) = 1.148% kept HG2 LYS+ 111 - HG3 LYS+ 38 12.500% * 0.0510% (0.61 1.0 1.00 0.02 0.02) = 0.051% HB3 LEU 80 - HG3 LYS+ 38 12.500% * 0.0234% (0.28 1.0 1.00 0.02 0.02) = 0.023% QG2 THR 77 - HG3 LYS+ 38 12.500% * 0.0138% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 63 - HG3 LYS+ 38 12.500% * 0.0138% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 375 (1.26, 1.26, 25.69 ppm): 1 diagonal assignment: * HG3 LYS+ 38 - HG3 LYS+ 38 (1.00) kept Peak 376 (1.67, 1.26, 25.69 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 5.48, residual support = 193.1: * O T QD LYS+ 38 - HG3 LYS+ 38 14.286% * 98.8858% (1.00 10.0 10.00 5.55 195.26) = 98.886% kept T QD LYS+ 65 - HG3 LYS+ 38 14.286% * 0.8260% (0.84 1.0 10.00 0.02 0.02) = 0.826% HB VAL 83 - HG3 LYS+ 38 14.286% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 LYS+ 121 - HG3 LYS+ 38 14.286% * 0.0774% (0.78 1.0 1.00 0.02 0.02) = 0.077% QD LYS+ 102 - HG3 LYS+ 38 14.286% * 0.0600% (0.61 1.0 1.00 0.02 0.66) = 0.060% HG3 PRO 93 - HG3 LYS+ 38 14.286% * 0.0321% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 LEU 123 - HG3 LYS+ 38 14.286% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 377 (3.78, 1.67, 29.90 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 5.73, residual support = 194.9: * T HA LYS+ 38 - QD LYS+ 38 25.000% * 99.7914% (1.00 10.00 5.74 195.26) = 99.791% kept T HA LYS+ 38 - QD LYS+ 65 25.000% * 0.1650% (0.17 10.00 0.02 0.02) = 0.165% HA VAL 24 - QD LYS+ 38 25.000% * 0.0375% (0.38 1.00 0.02 0.02) = 0.037% HA VAL 24 - QD LYS+ 65 25.000% * 0.0062% (0.06 1.00 0.02 0.02) = 0.006% Peak 378 (2.18, 1.67, 29.90 ppm): 6 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 195.1: * O HB2 LYS+ 38 - QD LYS+ 38 16.667% * 99.8994% (1.00 10.0 5.32 195.26) = 99.899% kept HG3 GLU- 29 - QD LYS+ 38 16.667% * 0.0486% (0.49 1.0 0.02 0.02) = 0.049% HB2 GLN 90 - QD LYS+ 38 16.667% * 0.0236% (0.24 1.0 0.02 0.02) = 0.024% HB2 LYS+ 38 - QD LYS+ 65 16.667% * 0.0165% (0.17 1.0 0.02 0.02) = 0.017% HG3 GLU- 29 - QD LYS+ 65 16.667% * 0.0080% (0.08 1.0 0.02 0.02) = 0.008% HB2 GLN 90 - QD LYS+ 65 16.667% * 0.0039% (0.04 1.0 0.02 0.02) = 0.004% Peak 379 (1.88, 1.67, 29.90 ppm): 18 chemical-shift based assignments, quality = 0.994, support = 4.6, residual support = 194.1: * O T HB3 LYS+ 38 - QD LYS+ 38 5.556% * 99.3974% (1.00 10.0 10.00 4.63 195.26) = 99.397% kept T HB3 LYS+ 38 - QD LYS+ 65 5.556% * 0.1643% (0.17 1.0 10.00 0.02 0.02) = 0.164% HB ILE 56 - QD LYS+ 38 5.556% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 GLN 30 - QD LYS+ 38 5.556% * 0.0877% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 MET 92 - QD LYS+ 38 5.556% * 0.0663% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 PRO 58 - QD LYS+ 38 5.556% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 106 - QD LYS+ 38 5.556% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB LYS+ 81 - QD LYS+ 38 5.556% * 0.0276% (0.28 1.0 1.00 0.02 0.11) = 0.028% HB3 GLN 90 - QD LYS+ 38 5.556% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB ILE 56 - QD LYS+ 65 5.556% * 0.0152% (0.15 1.0 1.00 0.02 4.85) = 0.015% HB3 GLN 30 - QD LYS+ 65 5.556% * 0.0145% (0.15 1.0 1.00 0.02 0.02) = 0.014% QB LYS+ 33 - QD LYS+ 38 5.556% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB2 MET 92 - QD LYS+ 65 5.556% * 0.0110% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 PRO 58 - QD LYS+ 65 5.556% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 106 - QD LYS+ 65 5.556% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% QB LYS+ 81 - QD LYS+ 65 5.556% * 0.0046% (0.05 1.0 1.00 0.02 0.30) = 0.005% HB3 GLN 90 - QD LYS+ 65 5.556% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% QB LYS+ 33 - QD LYS+ 65 5.556% * 0.0022% (0.02 1.0 1.00 0.02 0.98) = 0.002% Peak 380 (1.32, 1.67, 29.90 ppm): 16 chemical-shift based assignments, quality = 0.985, support = 5.34, residual support = 192.3: * O T HG2 LYS+ 38 - QD LYS+ 38 6.250% * 98.4686% (1.00 10.0 10.00 5.42 195.26) = 98.469% kept T HG2 LYS+ 99 - QD LYS+ 38 6.250% * 0.9414% (0.96 1.0 10.00 0.02 0.60) = 0.941% T HG2 LYS+ 38 - QD LYS+ 65 6.250% * 0.1628% (0.17 1.0 10.00 0.02 0.02) = 0.163% T HG2 LYS+ 99 - QD LYS+ 65 6.250% * 0.1556% (0.16 1.0 10.00 0.02 0.02) = 0.156% QB ALA 88 - QD LYS+ 38 6.250% * 0.0657% (0.67 1.0 1.00 0.02 0.02) = 0.066% HG2 LYS+ 111 - QD LYS+ 38 6.250% * 0.0597% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 31 - QD LYS+ 38 6.250% * 0.0479% (0.49 1.0 1.00 0.02 3.54) = 0.048% HB3 LEU 80 - QD LYS+ 38 6.250% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% QG2 THR 77 - QD LYS+ 38 6.250% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 LEU 63 - QD LYS+ 38 6.250% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB ALA 88 - QD LYS+ 65 6.250% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 111 - QD LYS+ 65 6.250% * 0.0099% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB2 LEU 31 - QD LYS+ 65 6.250% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 80 - QD LYS+ 65 6.250% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% QG2 THR 77 - QD LYS+ 65 6.250% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB2 LEU 63 - QD LYS+ 65 6.250% * 0.0027% (0.03 1.0 1.00 0.02 1.30) = 0.003% Peak 381 (1.26, 1.67, 29.90 ppm): 14 chemical-shift based assignments, quality = 0.972, support = 5.26, residual support = 176.4: * O T HG3 LYS+ 38 - QD LYS+ 38 7.143% * 88.7867% (1.00 10.0 10.00 5.55 195.26) = 88.787% kept QG2 THR 39 - QD LYS+ 38 7.143% * 10.7742% (0.78 1.0 1.00 3.10 28.42) = 10.774% kept T HG3 LYS+ 38 - QD LYS+ 65 7.143% * 0.1468% (0.17 1.0 10.00 0.02 0.02) = 0.147% QG2 ILE 56 - QD LYS+ 38 7.143% * 0.0784% (0.88 1.0 1.00 0.02 0.02) = 0.078% QB ALA 91 - QD LYS+ 38 7.143% * 0.0695% (0.78 1.0 1.00 0.02 0.02) = 0.069% QB ALA 34 - QD LYS+ 38 7.143% * 0.0539% (0.61 1.0 1.00 0.02 0.02) = 0.054% HG13 ILE 19 - QD LYS+ 38 7.143% * 0.0247% (0.28 1.0 1.00 0.02 0.02) = 0.025% QG2 THR 23 - QD LYS+ 38 7.143% * 0.0146% (0.16 1.0 1.00 0.02 0.02) = 0.015% QG2 ILE 56 - QD LYS+ 65 7.143% * 0.0130% (0.15 1.0 1.00 0.02 4.85) = 0.013% QB ALA 91 - QD LYS+ 65 7.143% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.011% QG2 THR 39 - QD LYS+ 65 7.143% * 0.0115% (0.13 1.0 1.00 0.02 0.02) = 0.011% QB ALA 34 - QD LYS+ 65 7.143% * 0.0089% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG13 ILE 19 - QD LYS+ 65 7.143% * 0.0041% (0.05 1.0 1.00 0.02 0.02) = 0.004% QG2 THR 23 - QD LYS+ 65 7.143% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 382 (1.67, 1.67, 29.90 ppm): 2 diagonal assignments: * QD LYS+ 38 - QD LYS+ 38 (1.00) kept QD LYS+ 65 - QD LYS+ 65 (0.14) 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 (0.11) kept Peak 384 (3.86, 4.27, 62.55 ppm): 12 chemical-shift based assignments, quality = 0.983, support = 2.92, residual support = 24.6: * O T HB THR 39 - HA THR 39 8.333% * 96.0145% (1.00 10.0 10.00 3.00 25.58) = 96.015% kept HB3 SER 82 - HA THR 39 8.333% * 3.3814% (0.67 1.0 1.00 1.06 0.02) = 3.381% kept T HB THR 39 - HA ILE 103 8.333% * 0.2126% (0.22 1.0 10.00 0.02 0.02) = 0.213% QB SER 13 - HA THR 39 8.333% * 0.0955% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA ILE 89 - HA THR 39 8.333% * 0.0886% (0.92 1.0 1.00 0.02 0.02) = 0.089% HB3 SER 37 - HA THR 39 8.333% * 0.0886% (0.92 1.0 1.00 0.02 2.96) = 0.089% HB THR 118 - HA THR 39 8.333% * 0.0360% (0.38 1.0 1.00 0.02 0.02) = 0.036% QB SER 13 - HA ILE 103 8.333% * 0.0212% (0.22 1.0 1.00 0.02 0.02) = 0.021% HA ILE 89 - HA ILE 103 8.333% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 37 - HA ILE 103 8.333% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB3 SER 82 - HA ILE 103 8.333% * 0.0142% (0.15 1.0 1.00 0.02 0.02) = 0.014% HB THR 118 - HA ILE 103 8.333% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% Peak 385 (1.26, 4.27, 62.55 ppm): 14 chemical-shift based assignments, quality = 0.743, support = 2.86, residual support = 23.1: * O T QG2 THR 39 - HA THR 39 7.143% * 66.0898% (0.73 10.0 10.00 2.58 25.58) = 66.090% kept HG3 LYS+ 38 - HA THR 39 7.143% * 21.3263% (1.00 1.0 1.00 4.71 28.42) = 21.326% kept QB ALA 34 - HA THR 39 7.143% * 5.9269% (0.67 1.0 1.00 1.95 1.72) = 5.927% kept T QG2 THR 23 - HA THR 39 7.143% * 5.5011% (0.20 1.0 10.00 0.61 0.02) = 5.501% kept T QB ALA 91 - HA THR 39 7.143% * 0.6609% (0.73 1.0 10.00 0.02 0.02) = 0.661% T QG2 THR 39 - HA ILE 103 7.143% * 0.1464% (0.16 1.0 10.00 0.02 0.02) = 0.146% T QB ALA 91 - HA ILE 103 7.143% * 0.1464% (0.16 1.0 10.00 0.02 0.02) = 0.146% QG2 ILE 56 - HA THR 39 7.143% * 0.0840% (0.92 1.0 1.00 0.02 0.02) = 0.084% T QG2 THR 23 - HA ILE 103 7.143% * 0.0399% (0.04 1.0 10.00 0.02 0.02) = 0.040% HG13 ILE 19 - HA THR 39 7.143% * 0.0215% (0.24 1.0 1.00 0.02 0.02) = 0.021% HG3 LYS+ 38 - HA ILE 103 7.143% * 0.0201% (0.22 1.0 1.00 0.02 0.02) = 0.020% QG2 ILE 56 - HA ILE 103 7.143% * 0.0186% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB ALA 34 - HA ILE 103 7.143% * 0.0134% (0.15 1.0 1.00 0.02 0.02) = 0.013% HG13 ILE 19 - HA ILE 103 7.143% * 0.0048% (0.05 1.0 1.00 0.02 2.28) = 0.005% Peak 386 (4.27, 3.86, 70.88 ppm): 9 chemical-shift based assignments, quality = 0.992, support = 2.97, residual support = 25.4: * O T HA THR 39 - HB THR 39 11.111% * 99.1638% (1.00 10.0 10.00 3.00 25.58) = 99.164% kept T HA ILE 103 - HB THR 39 11.111% * 0.4827% (0.49 1.0 10.00 0.02 0.02) = 0.483% HA GLU- 79 - HB THR 39 11.111% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HA1 GLY 51 - HB THR 39 11.111% * 0.0948% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ALA 57 - HB THR 39 11.111% * 0.0542% (0.55 1.0 1.00 0.02 0.02) = 0.054% HA SER 85 - HB THR 39 11.111% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB THR 77 - HB THR 39 11.111% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA ASP- 44 - HB THR 39 11.111% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA MET 11 - HB THR 39 11.111% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 7 chemical-shift based assignments, quality = 0.722, support = 2.31, residual support = 16.3: * O T QG2 THR 39 - HB THR 39 14.286% * 46.3141% (0.73 10.0 10.00 2.34 25.58) = 46.314% kept T QB ALA 34 - HB THR 39 14.286% * 36.8582% (0.67 1.0 10.00 1.73 1.72) = 36.858% kept HG3 LYS+ 38 - HB THR 39 14.286% * 13.5269% (1.00 1.0 1.00 4.26 28.42) = 13.527% kept T QG2 THR 23 - HB THR 39 14.286% * 2.7637% (0.20 1.0 10.00 0.44 0.02) = 2.764% kept T QB ALA 91 - HB THR 39 14.286% * 0.4631% (0.73 1.0 10.00 0.02 0.02) = 0.463% QG2 ILE 56 - HB THR 39 14.286% * 0.0589% (0.92 1.0 1.00 0.02 0.02) = 0.059% HG13 ILE 19 - HB THR 39 14.286% * 0.0150% (0.24 1.0 1.00 0.02 0.02) = 0.015% Peak 389 (4.27, 1.26, 21.81 ppm): 27 chemical-shift based assignments, quality = 0.668, support = 2.36, residual support = 23.0: * O T HA THR 39 - QG2 THR 39 3.704% * 90.0074% (0.73 10.0 10.00 2.58 25.58) = 90.007% kept T HA THR 39 - QG2 THR 23 3.704% * 7.4919% (0.20 1.0 10.00 0.61 0.02) = 7.492% kept HA ALA 57 - QG2 THR 39 3.704% * 0.8005% (0.40 1.0 1.00 0.33 0.02) = 0.800% T HA ILE 103 - QG2 THR 39 3.704% * 0.4381% (0.35 1.0 10.00 0.02 0.02) = 0.438% T HA THR 39 - QB ALA 91 3.704% * 0.4250% (0.34 1.0 10.00 0.02 0.02) = 0.425% T HA ILE 103 - QB ALA 91 3.704% * 0.2069% (0.17 1.0 10.00 0.02 0.02) = 0.207% T HA ILE 103 - QG2 THR 23 3.704% * 0.1194% (0.10 1.0 10.00 0.02 0.02) = 0.119% HA GLU- 79 - QG2 THR 39 3.704% * 0.0882% (0.71 1.0 1.00 0.02 0.02) = 0.088% HA1 GLY 51 - QG2 THR 39 3.704% * 0.0860% (0.69 1.0 1.00 0.02 0.02) = 0.086% HA GLU- 79 - QB ALA 91 3.704% * 0.0417% (0.34 1.0 1.00 0.02 0.02) = 0.042% HA1 GLY 51 - QB ALA 91 3.704% * 0.0406% (0.33 1.0 1.00 0.02 0.02) = 0.041% HB THR 77 - QG2 THR 39 3.704% * 0.0292% (0.24 1.0 1.00 0.02 0.02) = 0.029% HA SER 85 - QG2 THR 39 3.704% * 0.0292% (0.24 1.0 1.00 0.02 0.02) = 0.029% HA GLU- 79 - QG2 THR 23 3.704% * 0.0240% (0.19 1.0 1.00 0.02 0.02) = 0.024% HA1 GLY 51 - QG2 THR 23 3.704% * 0.0235% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA ALA 57 - QB ALA 91 3.704% * 0.0232% (0.19 1.0 1.00 0.02 0.02) = 0.023% HA ASP- 44 - QG2 THR 39 3.704% * 0.0212% (0.17 1.0 1.00 0.02 0.02) = 0.021% HA MET 11 - QG2 THR 39 3.704% * 0.0178% (0.14 1.0 1.00 0.02 0.02) = 0.018% HA SER 85 - QB ALA 91 3.704% * 0.0138% (0.11 1.0 1.00 0.02 0.02) = 0.014% HB THR 77 - QB ALA 91 3.704% * 0.0138% (0.11 1.0 1.00 0.02 0.02) = 0.014% HA ALA 57 - QG2 THR 23 3.704% * 0.0134% (0.11 1.0 1.00 0.02 0.02) = 0.013% HA ASP- 44 - QB ALA 91 3.704% * 0.0100% (0.08 1.0 1.00 0.02 0.02) = 0.010% HA MET 11 - QB ALA 91 3.704% * 0.0084% (0.07 1.0 1.00 0.02 0.02) = 0.008% HB THR 77 - QG2 THR 23 3.704% * 0.0080% (0.06 1.0 1.00 0.02 1.47) = 0.008% HA SER 85 - QG2 THR 23 3.704% * 0.0080% (0.06 1.0 1.00 0.02 0.02) = 0.008% HA ASP- 44 - QG2 THR 23 3.704% * 0.0058% (0.05 1.0 1.00 0.02 0.02) = 0.006% HA MET 11 - QG2 THR 23 3.704% * 0.0049% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 390 (3.86, 1.26, 21.81 ppm): 18 chemical-shift based assignments, quality = 0.673, support = 2.17, residual support = 22.9: * O T HB THR 39 - QG2 THR 39 5.556% * 88.7488% (0.73 10.0 10.00 2.34 25.58) = 88.749% kept T HB THR 39 - QG2 THR 23 5.556% * 5.2960% (0.20 1.0 10.00 0.44 0.02) = 5.296% kept HA ILE 89 - QB ALA 91 5.556% * 3.7391% (0.32 1.0 1.00 1.93 5.28) = 3.739% kept HB3 SER 82 - QG2 THR 39 5.556% * 1.2935% (0.48 1.0 1.00 0.44 0.02) = 1.294% kept T HB THR 39 - QB ALA 91 5.556% * 0.4191% (0.34 1.0 10.00 0.02 0.02) = 0.419% QB SER 13 - QG2 THR 39 5.556% * 0.0883% (0.72 1.0 1.00 0.02 0.02) = 0.088% HA ILE 89 - QG2 THR 39 5.556% * 0.0819% (0.67 1.0 1.00 0.02 0.02) = 0.082% HB3 SER 37 - QG2 THR 39 5.556% * 0.0819% (0.67 1.0 1.00 0.02 2.96) = 0.082% QB SER 13 - QB ALA 91 5.556% * 0.0417% (0.34 1.0 1.00 0.02 0.02) = 0.042% HB3 SER 37 - QB ALA 91 5.556% * 0.0387% (0.32 1.0 1.00 0.02 0.32) = 0.039% HB THR 118 - QG2 THR 39 5.556% * 0.0333% (0.27 1.0 1.00 0.02 0.02) = 0.033% HB3 SER 82 - QB ALA 91 5.556% * 0.0280% (0.23 1.0 1.00 0.02 0.02) = 0.028% QB SER 13 - QG2 THR 23 5.556% * 0.0241% (0.20 1.0 1.00 0.02 0.02) = 0.024% HB3 SER 37 - QG2 THR 23 5.556% * 0.0223% (0.18 1.0 1.00 0.02 0.02) = 0.022% HA ILE 89 - QG2 THR 23 5.556% * 0.0223% (0.18 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 82 - QG2 THR 23 5.556% * 0.0161% (0.13 1.0 1.00 0.02 0.02) = 0.016% HB THR 118 - QB ALA 91 5.556% * 0.0157% (0.13 1.0 1.00 0.02 0.02) = 0.016% HB THR 118 - QG2 THR 23 5.556% * 0.0091% (0.07 1.0 1.00 0.02 0.02) = 0.009% Peak 391 (1.26, 1.26, 21.81 ppm): 3 diagonal assignments: * QG2 THR 39 - QG2 THR 39 (0.53) kept QB ALA 91 - QB ALA 91 (0.25) kept QG2 THR 23 - QG2 THR 23 (0.04) kept Peak 392 (4.40, 4.40, 56.43 ppm): 2 diagonal assignments: * HA LEU 40 - HA LEU 40 (1.00) kept HA GLU- 15 - HA GLU- 15 (0.67) kept Peak 393 (1.94, 4.40, 56.43 ppm): 8 chemical-shift based assignments, quality = 0.978, support = 3.95, residual support = 68.5: * O T HB2 LEU 40 - HA LEU 40 12.500% * 97.5981% (1.00 10.0 10.00 4.02 70.17) = 97.598% kept HB3 GLU- 14 - HA GLU- 15 12.500% * 1.4868% (0.15 1.0 1.00 2.04 2.66) = 1.487% kept T HB2 LEU 40 - HA GLU- 15 12.500% * 0.7363% (0.75 1.0 10.00 0.02 0.02) = 0.736% HB3 MET 96 - HA LEU 40 12.500% * 0.0592% (0.61 1.0 1.00 0.02 0.55) = 0.059% HB3 MET 96 - HA GLU- 15 12.500% * 0.0447% (0.46 1.0 1.00 0.02 0.02) = 0.045% HB3 ARG+ 54 - HA LEU 40 12.500% * 0.0317% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 ARG+ 54 - HA GLU- 15 12.500% * 0.0239% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 GLU- 14 - HA LEU 40 12.500% * 0.0193% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 394 (1.48, 4.40, 56.43 ppm): 10 chemical-shift based assignments, quality = 0.989, support = 4.21, residual support = 69.4: * O T HB3 LEU 40 - HA LEU 40 10.000% * 98.8889% (1.00 10.0 10.00 4.26 70.17) = 98.889% kept T HB3 LEU 40 - HA GLU- 15 10.000% * 0.7460% (0.75 1.0 10.00 0.02 0.02) = 0.746% HG LEU 115 - HA LEU 40 10.000% * 0.0826% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 120 - HA LEU 40 10.000% * 0.0826% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG LEU 115 - HA GLU- 15 10.000% * 0.0623% (0.63 1.0 1.00 0.02 0.02) = 0.062% QB ALA 120 - HA GLU- 15 10.000% * 0.0623% (0.63 1.0 1.00 0.02 0.02) = 0.062% HB2 LYS+ 74 - HA LEU 40 10.000% * 0.0233% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG LEU 67 - HA LEU 40 10.000% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 LYS+ 74 - HA GLU- 15 10.000% * 0.0176% (0.18 1.0 1.00 0.02 0.02) = 0.018% HG LEU 67 - HA GLU- 15 10.000% * 0.0148% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 395 (4.40, 1.94, 42.31 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 3.98, residual support = 69.4: * O T HA LEU 40 - HB2 LEU 40 14.286% * 98.8957% (1.00 10.0 10.00 4.02 70.17) = 98.896% kept T HA GLU- 15 - HB2 LEU 40 14.286% * 0.8728% (0.88 1.0 10.00 0.02 0.02) = 0.873% HA PRO 58 - HB2 LEU 40 14.286% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA SER 13 - HB2 LEU 40 14.286% * 0.0873% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA LEU 123 - HB2 LEU 40 14.286% * 0.0233% (0.24 1.0 1.00 0.02 0.34) = 0.023% HA THR 46 - HB2 LEU 40 14.286% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA ILE 56 - HB2 LEU 40 14.286% * 0.0134% (0.14 1.0 1.00 0.02 0.82) = 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): 5 chemical-shift based assignments, quality = 0.998, support = 4.15, residual support = 70.0: * O T HB3 LEU 40 - HB2 LEU 40 20.000% * 99.7900% (1.00 10.0 10.00 4.16 70.17) = 99.790% kept HG LEU 115 - HB2 LEU 40 20.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 120 - HB2 LEU 40 20.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB2 LYS+ 74 - HB2 LEU 40 20.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG LEU 67 - HB2 LEU 40 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 398 (4.40, 1.48, 42.31 ppm): 7 chemical-shift based assignments, quality = 0.989, support = 4.21, residual support = 69.4: * O T HA LEU 40 - HB3 LEU 40 14.286% * 98.8957% (1.00 10.0 10.00 4.26 70.17) = 98.896% kept T HA GLU- 15 - HB3 LEU 40 14.286% * 0.8728% (0.88 1.0 10.00 0.02 0.02) = 0.873% HA PRO 58 - HB3 LEU 40 14.286% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA SER 13 - HB3 LEU 40 14.286% * 0.0873% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA LEU 123 - HB3 LEU 40 14.286% * 0.0233% (0.24 1.0 1.00 0.02 0.34) = 0.023% HA THR 46 - HB3 LEU 40 14.286% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA ILE 56 - HB3 LEU 40 14.286% * 0.0134% (0.14 1.0 1.00 0.02 0.82) = 0.013% Peak 399 (1.94, 1.48, 42.31 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 4.16, residual support = 70.1: * O T HB2 LEU 40 - HB3 LEU 40 25.000% * 99.8872% (1.00 10.0 10.00 4.16 70.17) = 99.887% kept HB3 MET 96 - HB3 LEU 40 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.55) = 0.061% HB3 ARG+ 54 - HB3 LEU 40 25.000% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 GLU- 14 - HB3 LEU 40 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 400 (1.48, 1.48, 42.31 ppm): 1 diagonal assignment: * HB3 LEU 40 - HB3 LEU 40 (1.00) 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): 8 chemical-shift based assignments, quality = 0.426, support = 4.13, residual support = 55.1: * O T HB VAL 41 - HA VAL 41 12.500% * 99.2093% (0.43 10.0 10.00 4.16 55.52) = 99.209% kept HG LEU 123 - HA VAL 41 12.500% * 0.2264% (0.98 1.0 1.00 0.02 0.54) = 0.226% HB3 PRO 52 - HA VAL 41 12.500% * 0.2264% (0.98 1.0 1.00 0.02 0.02) = 0.226% HG12 ILE 103 - HA VAL 41 12.500% * 0.1540% (0.67 1.0 1.00 0.02 0.02) = 0.154% HG3 PRO 68 - HA VAL 41 12.500% * 0.0544% (0.24 1.0 1.00 0.02 0.02) = 0.054% HB ILE 103 - HA VAL 41 12.500% * 0.0457% (0.20 1.0 1.00 0.02 0.02) = 0.046% QB LYS+ 66 - HA VAL 41 12.500% * 0.0457% (0.20 1.0 1.00 0.02 0.54) = 0.046% HG2 ARG+ 54 - HA VAL 41 12.500% * 0.0380% (0.16 1.0 1.00 0.02 0.02) = 0.038% Peak 403 (0.76, 4.88, 60.22 ppm): 6 chemical-shift based assignments, quality = 0.984, support = 3.51, residual support = 52.8: * O T QG1 VAL 41 - HA VAL 41 16.667% * 94.9106% (1.00 10.0 10.00 3.66 55.52) = 94.911% kept QG1 VAL 43 - HA VAL 41 16.667% * 3.4940% (0.88 1.0 1.00 0.83 1.66) = 3.494% kept QG2 THR 46 - HA VAL 41 16.667% * 1.0307% (0.38 1.0 1.00 0.58 0.02) = 1.031% kept T QG2 VAL 18 - HA VAL 41 16.667% * 0.5183% (0.55 1.0 10.00 0.02 0.02) = 0.518% HG LEU 31 - HA VAL 41 16.667% * 0.0308% (0.32 1.0 1.00 0.02 0.02) = 0.031% QD2 LEU 73 - HA VAL 41 16.667% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 404 (0.55, 4.88, 60.22 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 3.64, residual support = 54.7: * O T QG2 VAL 41 - HA VAL 41 25.000% * 98.2912% (1.00 10.0 10.00 3.70 55.52) = 98.291% kept QD2 LEU 98 - HA VAL 41 25.000% * 1.1954% (0.88 1.0 1.00 0.28 11.13) = 1.195% kept QD2 LEU 63 - HA VAL 41 25.000% * 0.4267% (0.32 1.0 1.00 0.27 0.02) = 0.427% QD1 LEU 80 - HA VAL 41 25.000% * 0.0867% (0.88 1.0 1.00 0.02 0.25) = 0.087% Peak 405 (4.88, 1.84, 34.57 ppm): 3 chemical-shift based assignments, quality = 0.423, support = 4.09, residual support = 54.2: * O T HA VAL 41 - HB VAL 41 33.333% * 97.6357% (0.43 10.0 10.00 4.16 55.52) = 97.636% kept HA PHE 45 - HB VAL 41 33.333% * 2.3051% (0.14 1.0 1.00 1.45 0.56) = 2.305% kept HA HIS 122 - HB VAL 41 33.333% * 0.0592% (0.26 1.0 1.00 0.02 0.02) = 0.059% Peak 406 (1.84, 1.84, 34.57 ppm): 1 diagonal assignment: * HB VAL 41 - HB VAL 41 (0.18) kept Peak 407 (0.76, 1.84, 34.57 ppm): 6 chemical-shift based assignments, quality = 0.406, support = 3.44, residual support = 47.2: * O T QG1 VAL 41 - HB VAL 41 16.667% * 84.8871% (0.43 10.0 10.00 3.94 55.52) = 84.887% kept T QG2 VAL 18 - HB VAL 41 16.667% * 10.6175% (0.23 1.0 10.00 0.46 0.02) = 10.618% kept QG1 VAL 43 - HB VAL 41 16.667% * 4.4220% (0.38 1.0 1.00 1.18 1.66) = 4.422% kept QG2 THR 46 - HB VAL 41 16.667% * 0.0319% (0.16 1.0 1.00 0.02 0.02) = 0.032% HG LEU 31 - HB VAL 41 16.667% * 0.0276% (0.14 1.0 1.00 0.02 0.02) = 0.028% QD2 LEU 73 - HB VAL 41 16.667% * 0.0140% (0.07 1.0 1.00 0.02 0.02) = 0.014% Peak 408 (0.55, 1.84, 34.57 ppm): 4 chemical-shift based assignments, quality = 0.426, support = 3.84, residual support = 54.3: * O T QG2 VAL 41 - HB VAL 41 25.000% * 97.3216% (0.43 10.0 10.00 3.93 55.52) = 97.322% kept QD2 LEU 98 - HB VAL 41 25.000% * 2.1957% (0.38 1.0 1.00 0.51 11.13) = 2.196% kept QD2 LEU 63 - HB VAL 41 25.000% * 0.3969% (0.14 1.0 1.00 0.25 0.02) = 0.397% QD1 LEU 80 - HB VAL 41 25.000% * 0.0859% (0.38 1.0 1.00 0.02 0.25) = 0.086% Peak 409 (4.88, 0.55, 21.65 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 3.65, residual support = 54.4: * O T HA VAL 41 - QG2 VAL 41 33.333% * 97.8897% (1.00 10.0 10.00 3.70 55.52) = 97.890% kept HA PHE 45 - QG2 VAL 41 33.333% * 2.0509% (0.32 1.0 1.00 1.29 0.56) = 2.051% kept HA HIS 122 - QG2 VAL 41 33.333% * 0.0594% (0.61 1.0 1.00 0.02 0.02) = 0.059% Peak 410 (1.84, 0.55, 21.65 ppm): 8 chemical-shift based assignments, quality = 0.426, support = 3.9, residual support = 55.1: * O T HB VAL 41 - QG2 VAL 41 12.500% * 99.2093% (0.43 10.0 10.00 3.93 55.52) = 99.209% kept HG LEU 123 - QG2 VAL 41 12.500% * 0.2264% (0.98 1.0 1.00 0.02 0.54) = 0.226% HB3 PRO 52 - QG2 VAL 41 12.500% * 0.2264% (0.98 1.0 1.00 0.02 0.02) = 0.226% HG12 ILE 103 - QG2 VAL 41 12.500% * 0.1540% (0.67 1.0 1.00 0.02 0.02) = 0.154% HG3 PRO 68 - QG2 VAL 41 12.500% * 0.0544% (0.24 1.0 1.00 0.02 0.02) = 0.054% HB ILE 103 - QG2 VAL 41 12.500% * 0.0457% (0.20 1.0 1.00 0.02 0.02) = 0.046% QB LYS+ 66 - QG2 VAL 41 12.500% * 0.0457% (0.20 1.0 1.00 0.02 0.54) = 0.046% HG2 ARG+ 54 - QG2 VAL 41 12.500% * 0.0380% (0.16 1.0 1.00 0.02 0.02) = 0.038% Peak 411 (0.76, 0.55, 21.65 ppm): 6 chemical-shift based assignments, quality = 0.982, support = 3.29, residual support = 50.7: * O T QG1 VAL 41 - QG2 VAL 41 16.667% * 91.0373% (1.00 10.0 10.00 3.49 55.52) = 91.037% kept QG1 VAL 43 - QG2 VAL 41 16.667% * 6.9127% (0.88 1.0 1.00 1.72 1.66) = 6.913% kept T QG2 VAL 18 - QG2 VAL 41 16.667% * 1.9714% (0.55 1.0 10.00 0.08 0.02) = 1.971% kept QG2 THR 46 - QG2 VAL 41 16.667% * 0.0342% (0.38 1.0 1.00 0.02 0.02) = 0.034% HG LEU 31 - QG2 VAL 41 16.667% * 0.0296% (0.32 1.0 1.00 0.02 0.02) = 0.030% QD2 LEU 73 - QG2 VAL 41 16.667% * 0.0150% (0.16 1.0 1.00 0.02 0.02) = 0.015% 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 (0.03) kept Peak 414 (1.39, 4.44, 60.39 ppm): 22 chemical-shift based assignments, quality = 0.678, support = 3.92, residual support = 58.9: * O T HB VAL 42 - HA VAL 42 4.545% * 85.8825% (0.73 10.0 10.00 4.49 68.59) = 85.883% kept T HB2 LYS+ 112 - HA VAL 42 4.545% * 12.6573% (0.43 1.0 10.00 0.50 0.02) = 12.657% kept HG3 LYS+ 65 - HA VAL 42 4.545% * 0.7517% (0.73 1.0 1.00 0.18 0.02) = 0.752% QB ALA 12 - HA VAL 42 4.545% * 0.1092% (0.92 1.0 1.00 0.02 0.02) = 0.109% T HB VAL 42 - HA PHE 55 4.545% * 0.0993% (0.08 1.0 10.00 0.02 0.02) = 0.099% HG3 LYS+ 33 - HA VAL 42 4.545% * 0.0988% (0.84 1.0 1.00 0.02 0.02) = 0.099% HB3 LEU 73 - HA VAL 42 4.545% * 0.0717% (0.61 1.0 1.00 0.02 1.06) = 0.072% QB LEU 98 - HA VAL 42 4.545% * 0.0646% (0.55 1.0 1.00 0.02 0.02) = 0.065% HG3 LYS+ 102 - HA VAL 42 4.545% * 0.0646% (0.55 1.0 1.00 0.02 0.02) = 0.065% T HB2 LYS+ 112 - HA PHE 55 4.545% * 0.0587% (0.05 1.0 10.00 0.02 0.14) = 0.059% HG3 LYS+ 106 - HA VAL 42 4.545% * 0.0329% (0.28 1.0 1.00 0.02 0.90) = 0.033% HB3 LYS+ 74 - HA VAL 42 4.545% * 0.0234% (0.20 1.0 1.00 0.02 0.02) = 0.023% HD3 LYS+ 121 - HA VAL 42 4.545% * 0.0195% (0.16 1.0 1.00 0.02 0.02) = 0.019% QB ALA 12 - HA PHE 55 4.545% * 0.0126% (0.11 1.0 1.00 0.02 0.02) = 0.013% HG3 LYS+ 33 - HA PHE 55 4.545% * 0.0114% (0.10 1.0 1.00 0.02 0.02) = 0.011% HG3 LYS+ 65 - HA PHE 55 4.545% * 0.0099% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 73 - HA PHE 55 4.545% * 0.0083% (0.07 1.0 1.00 0.02 0.02) = 0.008% QB LEU 98 - HA PHE 55 4.545% * 0.0075% (0.06 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 102 - HA PHE 55 4.545% * 0.0075% (0.06 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 106 - HA PHE 55 4.545% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 LYS+ 74 - HA PHE 55 4.545% * 0.0027% (0.02 1.0 1.00 0.02 0.02) = 0.003% HD3 LYS+ 121 - HA PHE 55 4.545% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 415 (0.37, 4.44, 60.39 ppm): 6 chemical-shift based assignments, quality = 0.929, support = 3.55, residual support = 60.4: * O T QG1 VAL 42 - HA VAL 42 16.667% * 88.0458% (0.92 10.0 10.00 4.00 68.59) = 88.046% kept T QB ALA 47 - HA VAL 42 16.667% * 11.6971% (1.00 1.0 10.00 0.25 0.02) = 11.697% kept T QB ALA 47 - HA PHE 55 16.667% * 0.1097% (0.12 1.0 10.00 0.02 0.02) = 0.110% T QG1 VAL 42 - HA PHE 55 16.667% * 0.1018% (0.11 1.0 10.00 0.02 0.02) = 0.102% HG2 LYS+ 112 - HA VAL 42 16.667% * 0.0410% (0.43 1.0 1.00 0.02 0.02) = 0.041% HG2 LYS+ 112 - HA PHE 55 16.667% * 0.0047% (0.05 1.0 1.00 0.02 0.14) = 0.005% Peak 416 (0.15, 4.44, 60.39 ppm): 4 chemical-shift based assignments, quality = 0.605, support = 3.99, residual support = 68.5: * O T QG2 VAL 42 - HA VAL 42 25.000% * 99.8157% (0.61 10.0 10.00 4.00 68.59) = 99.816% kept T QG2 VAL 42 - HA PHE 55 25.000% * 0.1154% (0.07 1.0 10.00 0.02 0.02) = 0.115% QG2 VAL 75 - HA VAL 42 25.000% * 0.0618% (0.38 1.0 1.00 0.02 0.02) = 0.062% QG2 VAL 75 - HA PHE 55 25.000% * 0.0071% (0.04 1.0 1.00 0.02 0.02) = 0.007% Peak 417 (4.44, 1.39, 32.90 ppm): 10 chemical-shift based assignments, quality = 0.683, support = 4.0, residual support = 60.3: * O T HA VAL 42 - HB VAL 42 10.000% * 87.9554% (0.73 10.0 10.00 4.49 68.59) = 87.955% kept T HA VAL 42 - HB2 LYS+ 112 10.000% * 11.5523% (0.38 1.0 10.00 0.50 0.02) = 11.552% kept T HA PHE 55 - HB VAL 42 10.000% * 0.2445% (0.20 1.0 10.00 0.02 0.02) = 0.245% T HA PHE 55 - HB2 LYS+ 112 10.000% * 0.1289% (0.11 1.0 10.00 0.02 0.14) = 0.129% HA GLN 17 - HB VAL 42 10.000% * 0.0286% (0.24 1.0 1.00 0.02 0.02) = 0.029% HA SER 37 - HB VAL 42 10.000% * 0.0286% (0.24 1.0 1.00 0.02 0.02) = 0.029% HA THR 46 - HB VAL 42 10.000% * 0.0207% (0.17 1.0 1.00 0.02 0.23) = 0.021% HA SER 37 - HB2 LYS+ 112 10.000% * 0.0151% (0.12 1.0 1.00 0.02 0.02) = 0.015% HA GLN 17 - HB2 LYS+ 112 10.000% * 0.0151% (0.12 1.0 1.00 0.02 0.02) = 0.015% HA THR 46 - HB2 LYS+ 112 10.000% * 0.0109% (0.09 1.0 1.00 0.02 0.02) = 0.011% Peak 418 (1.39, 1.39, 32.90 ppm): 2 diagonal assignments: * HB VAL 42 - HB VAL 42 (0.53) kept HB2 LYS+ 112 - HB2 LYS+ 112 (0.16) kept Peak 419 (0.37, 1.39, 32.90 ppm): 6 chemical-shift based assignments, quality = 0.549, support = 3.45, residual support = 66.2: * O T QG1 VAL 42 - HB VAL 42 16.667% * 57.7447% (0.67 10.0 10.00 4.14 68.59) = 57.745% kept O T HG2 LYS+ 112 - HB2 LYS+ 112 16.667% * 14.1658% (0.16 10.0 10.00 6.48 188.03) = 14.166% kept T QB ALA 47 - HB2 LYS+ 112 16.667% * 12.3050% (0.38 1.0 10.00 0.75 0.02) = 12.305% kept T QB ALA 47 - HB VAL 42 16.667% * 10.1070% (0.72 1.0 10.00 0.32 0.02) = 10.107% kept T QG1 VAL 42 - HB2 LYS+ 112 16.667% * 5.4088% (0.35 1.0 10.00 0.36 0.02) = 5.409% kept T HG2 LYS+ 112 - HB VAL 42 16.667% * 0.2687% (0.31 1.0 10.00 0.02 0.02) = 0.269% Peak 420 (0.15, 1.39, 32.90 ppm): 4 chemical-shift based assignments, quality = 0.421, support = 3.85, residual support = 62.3: * O T QG2 VAL 42 - HB VAL 42 25.000% * 90.8225% (0.44 10.0 10.00 4.20 68.59) = 90.822% kept T QG2 VAL 42 - HB2 LYS+ 112 25.000% * 9.0917% (0.23 1.0 10.00 0.38 0.02) = 9.092% kept QG2 VAL 75 - HB VAL 42 25.000% * 0.0562% (0.27 1.0 1.00 0.02 0.02) = 0.056% QG2 VAL 75 - HB2 LYS+ 112 25.000% * 0.0296% (0.14 1.0 1.00 0.02 0.02) = 0.030% Peak 422 (1.39, 0.37, 21.48 ppm): 22 chemical-shift based assignments, quality = 0.595, support = 2.96, residual support = 46.4: * O T HB VAL 42 - QG1 VAL 42 4.545% * 67.5791% (0.67 10.0 10.00 4.14 68.59) = 67.579% kept T HB2 LYS+ 112 - QB ALA 47 4.545% * 13.4970% (0.36 1.0 10.00 0.75 0.02) = 13.497% kept T HB VAL 42 - QB ALA 47 4.545% * 9.8799% (0.60 1.0 10.00 0.32 0.02) = 9.880% kept T HB2 LYS+ 112 - QG1 VAL 42 4.545% * 7.1029% (0.40 1.0 10.00 0.36 0.02) = 7.103% kept HB3 LEU 73 - QG1 VAL 42 4.545% * 1.1445% (0.56 1.0 1.00 0.41 1.06) = 1.145% kept QB ALA 12 - QG1 VAL 42 4.545% * 0.0859% (0.85 1.0 1.00 0.02 0.02) = 0.086% HG3 LYS+ 33 - QG1 VAL 42 4.545% * 0.0777% (0.77 1.0 1.00 0.02 0.02) = 0.078% QB ALA 12 - QB ALA 47 4.545% * 0.0773% (0.77 1.0 1.00 0.02 0.02) = 0.077% HG3 LYS+ 33 - QB ALA 47 4.545% * 0.0700% (0.69 1.0 1.00 0.02 0.02) = 0.070% HG3 LYS+ 65 - QG1 VAL 42 4.545% * 0.0676% (0.67 1.0 1.00 0.02 0.02) = 0.068% HG3 LYS+ 65 - QB ALA 47 4.545% * 0.0608% (0.60 1.0 1.00 0.02 0.02) = 0.061% QB LEU 98 - QG1 VAL 42 4.545% * 0.0508% (0.50 1.0 1.00 0.02 0.02) = 0.051% HB3 LEU 73 - QB ALA 47 4.545% * 0.0508% (0.50 1.0 1.00 0.02 0.02) = 0.051% HG3 LYS+ 102 - QG1 VAL 42 4.545% * 0.0508% (0.50 1.0 1.00 0.02 0.02) = 0.051% QB LEU 98 - QB ALA 47 4.545% * 0.0458% (0.45 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 102 - QB ALA 47 4.545% * 0.0458% (0.45 1.0 1.00 0.02 0.02) = 0.046% HG3 LYS+ 106 - QG1 VAL 42 4.545% * 0.0259% (0.26 1.0 1.00 0.02 0.90) = 0.026% HG3 LYS+ 106 - QB ALA 47 4.545% * 0.0233% (0.23 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 74 - QG1 VAL 42 4.545% * 0.0184% (0.18 1.0 1.00 0.02 0.02) = 0.018% HB3 LYS+ 74 - QB ALA 47 4.545% * 0.0166% (0.16 1.0 1.00 0.02 0.02) = 0.017% HD3 LYS+ 121 - QG1 VAL 42 4.545% * 0.0153% (0.15 1.0 1.00 0.02 0.02) = 0.015% HD3 LYS+ 121 - QB ALA 47 4.545% * 0.0138% (0.14 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 (0.85) 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 = 0.553, support = 3.47, residual support = 60.2: * O T QG2 VAL 42 - QG1 VAL 42 25.000% * 87.7167% (0.56 10.0 10.00 3.92 68.59) = 87.717% kept T QG2 VAL 42 - QB ALA 47 25.000% * 12.1802% (0.50 1.0 10.00 0.31 0.02) = 12.180% kept QG2 VAL 75 - QG1 VAL 42 25.000% * 0.0543% (0.35 1.0 1.00 0.02 0.02) = 0.054% QG2 VAL 75 - QB ALA 47 25.000% * 0.0489% (0.31 1.0 1.00 0.02 0.02) = 0.049% Peak 425 (4.44, 0.15, 20.83 ppm): 5 chemical-shift based assignments, quality = 0.604, support = 3.99, residual support = 68.3: * O T HA VAL 42 - QG2 VAL 42 20.000% * 99.6348% (0.61 10.0 10.00 4.00 68.59) = 99.635% kept T HA PHE 55 - QG2 VAL 42 20.000% * 0.2770% (0.17 1.0 10.00 0.02 0.02) = 0.277% HA GLN 17 - QG2 VAL 42 20.000% * 0.0323% (0.20 1.0 1.00 0.02 0.02) = 0.032% HA SER 37 - QG2 VAL 42 20.000% * 0.0323% (0.20 1.0 1.00 0.02 0.02) = 0.032% HA THR 46 - QG2 VAL 42 20.000% * 0.0235% (0.14 1.0 1.00 0.02 0.23) = 0.023% Peak 426 (1.39, 0.15, 20.83 ppm): 11 chemical-shift based assignments, quality = 0.429, support = 4.02, residual support = 65.4: * O T HB VAL 42 - QG2 VAL 42 9.091% * 95.3273% (0.44 10.0 10.00 4.20 68.59) = 95.327% kept HB3 LEU 73 - QG2 VAL 42 9.091% * 1.7479% (0.37 1.0 1.00 0.44 1.06) = 1.748% kept HG3 LYS+ 106 - QG2 VAL 42 9.091% * 1.6143% (0.17 1.0 1.00 0.88 0.90) = 1.614% kept T HB2 LYS+ 112 - QG2 VAL 42 9.091% * 0.5639% (0.26 1.0 10.00 0.02 0.02) = 0.564% HG3 LYS+ 102 - QG2 VAL 42 9.091% * 0.3012% (0.33 1.0 1.00 0.08 0.02) = 0.301% QB ALA 12 - QG2 VAL 42 9.091% * 0.1212% (0.56 1.0 1.00 0.02 0.02) = 0.121% HG3 LYS+ 33 - QG2 VAL 42 9.091% * 0.1097% (0.51 1.0 1.00 0.02 0.02) = 0.110% HG3 LYS+ 65 - QG2 VAL 42 9.091% * 0.0953% (0.44 1.0 1.00 0.02 0.02) = 0.095% QB LEU 98 - QG2 VAL 42 9.091% * 0.0717% (0.33 1.0 1.00 0.02 0.02) = 0.072% HB3 LYS+ 74 - QG2 VAL 42 9.091% * 0.0260% (0.12 1.0 1.00 0.02 0.02) = 0.026% HD3 LYS+ 121 - QG2 VAL 42 9.091% * 0.0216% (0.10 1.0 1.00 0.02 0.02) = 0.022% Peak 427 (0.37, 0.15, 20.83 ppm): 3 chemical-shift based assignments, quality = 0.566, support = 3.4, residual support = 58.8: * O T QG1 VAL 42 - QG2 VAL 42 33.333% * 85.7112% (0.56 10.0 10.00 3.92 68.59) = 85.711% kept T QB ALA 47 - QG2 VAL 42 33.333% * 14.2489% (0.60 1.0 10.00 0.31 0.02) = 14.249% kept HG2 LYS+ 112 - QG2 VAL 42 33.333% * 0.0399% (0.26 1.0 1.00 0.02 0.02) = 0.040% Peak 428 (0.15, 0.15, 20.83 ppm): 1 diagonal assignment: * QG2 VAL 42 - QG2 VAL 42 (0.37) 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 = 0.921, support = 3.29, residual support = 49.9: * O T HB VAL 43 - HA VAL 43 25.000% * 99.7611% (0.92 10.0 10.00 3.30 50.06) = 99.761% kept HB2 LYS+ 99 - HA VAL 43 25.000% * 0.1075% (1.00 1.0 1.00 0.02 0.02) = 0.108% QD LYS+ 81 - HA VAL 43 25.000% * 0.1059% (0.98 1.0 1.00 0.02 0.02) = 0.106% HB3 GLN 17 - HA VAL 43 25.000% * 0.0255% (0.24 1.0 1.00 0.02 0.02) = 0.025% Peak 431 (0.76, 4.67, 60.29 ppm): 6 chemical-shift based assignments, quality = 0.782, support = 4.13, residual support = 48.4: * O T QG1 VAL 43 - HA VAL 43 16.667% * 96.6626% (0.78 10.0 10.00 4.26 50.06) = 96.663% kept QG1 VAL 41 - HA VAL 43 16.667% * 2.5852% (0.98 1.0 1.00 0.43 1.66) = 2.585% kept QG2 THR 46 - HA VAL 43 16.667% * 0.6169% (0.28 1.0 1.00 0.36 0.02) = 0.617% QG2 VAL 18 - HA VAL 43 16.667% * 0.0530% (0.43 1.0 1.00 0.02 0.02) = 0.053% HG LEU 31 - HA VAL 43 16.667% * 0.0530% (0.43 1.0 1.00 0.02 0.96) = 0.053% QD2 LEU 73 - HA VAL 43 16.667% * 0.0291% (0.24 1.0 1.00 0.02 1.03) = 0.029% Peak 432 (0.06, 4.67, 60.29 ppm): 2 chemical-shift based assignments, quality = 0.451, support = 2.17, residual support = 31.8: * O T QG2 VAL 43 - HA VAL 43 50.000% * 62.9008% (0.43 10.0 10.00 2.84 50.06) = 62.901% kept T QD2 LEU 31 - HA VAL 43 50.000% * 37.0992% (0.49 1.0 10.00 1.04 0.96) = 37.099% kept Peak 433 (4.67, 1.77, 34.62 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 3.29, residual support = 50.0: * O T HA VAL 43 - HB VAL 43 33.333% * 99.8613% (0.92 10.0 10.00 3.30 50.06) = 99.861% kept HA ASN 69 - HB VAL 43 33.333% * 0.0782% (0.72 1.0 1.00 0.02 0.02) = 0.078% HA HIS 22 - HB VAL 43 33.333% * 0.0606% (0.56 1.0 1.00 0.02 0.02) = 0.061% Peak 434 (1.77, 1.77, 34.62 ppm): 1 diagonal assignment: * HB VAL 43 - HB VAL 43 (0.85) kept Peak 435 (0.76, 1.77, 34.62 ppm): 6 chemical-shift based assignments, quality = 0.718, support = 3.53, residual support = 47.8: * O T QG1 VAL 43 - HB VAL 43 16.667% * 95.3200% (0.72 10.0 10.00 3.69 50.06) = 95.320% kept QG1 VAL 41 - HB VAL 43 16.667% * 3.2757% (0.90 1.0 1.00 0.55 1.66) = 3.276% kept QG2 THR 46 - HB VAL 43 16.667% * 0.8002% (0.26 1.0 1.00 0.47 0.02) = 0.800% T QG2 VAL 18 - HB VAL 43 16.667% * 0.5231% (0.40 1.0 10.00 0.02 0.02) = 0.523% HG LEU 31 - HB VAL 43 16.667% * 0.0523% (0.40 1.0 1.00 0.02 0.96) = 0.052% QD2 LEU 73 - HB VAL 43 16.667% * 0.0287% (0.22 1.0 1.00 0.02 1.03) = 0.029% Peak 436 (0.06, 1.77, 34.62 ppm): 2 chemical-shift based assignments, quality = 0.414, support = 2.1, residual support = 33.7: * O T QG2 VAL 43 - HB VAL 43 50.000% * 66.7591% (0.40 10.0 10.00 2.71 50.06) = 66.759% kept T QD2 LEU 31 - HB VAL 43 50.000% * 33.2409% (0.45 1.0 10.00 0.88 0.96) = 33.241% kept Peak 437 (4.67, 0.76, 21.16 ppm): 3 chemical-shift based assignments, quality = 0.782, support = 4.26, residual support = 50.0: * O T HA VAL 43 - QG1 VAL 43 33.333% * 99.8613% (0.78 10.0 10.00 4.26 50.06) = 99.861% kept HA ASN 69 - QG1 VAL 43 33.333% * 0.0782% (0.61 1.0 1.00 0.02 0.02) = 0.078% HA HIS 22 - QG1 VAL 43 33.333% * 0.0606% (0.47 1.0 1.00 0.02 0.02) = 0.061% Peak 438 (1.77, 0.76, 21.16 ppm): 4 chemical-shift based assignments, quality = 0.721, support = 3.68, residual support = 49.9: * O T HB VAL 43 - QG1 VAL 43 25.000% * 99.7611% (0.72 10.0 10.00 3.69 50.06) = 99.761% kept HB2 LYS+ 99 - QG1 VAL 43 25.000% * 0.1075% (0.78 1.0 1.00 0.02 0.02) = 0.108% QD LYS+ 81 - QG1 VAL 43 25.000% * 0.1059% (0.77 1.0 1.00 0.02 0.02) = 0.106% HB3 GLN 17 - QG1 VAL 43 25.000% * 0.0255% (0.18 1.0 1.00 0.02 0.02) = 0.025% Peak 439 (0.76, 0.76, 21.16 ppm): 1 diagonal assignment: * QG1 VAL 43 - QG1 VAL 43 (0.61) kept Peak 440 (0.06, 0.76, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.354, support = 2.61, residual support = 31.0: * O T QG2 VAL 43 - QG1 VAL 43 50.000% * 61.2130% (0.34 10.0 10.00 3.55 50.06) = 61.213% kept T QD2 LEU 31 - QG1 VAL 43 50.000% * 38.7870% (0.38 1.0 10.00 1.12 0.96) = 38.787% kept Peak 442 (1.77, 0.06, 21.48 ppm): 8 chemical-shift based assignments, quality = 0.394, support = 2.69, residual support = 49.7: * O T HB VAL 43 - QG2 VAL 43 12.500% * 99.3831% (0.40 10.0 10.00 2.71 50.06) = 99.383% kept T HB VAL 43 - QD2 LEU 31 12.500% * 0.3057% (0.12 1.0 10.00 0.02 0.96) = 0.306% HB2 LYS+ 99 - QG2 VAL 43 12.500% * 0.1071% (0.43 1.0 1.00 0.02 0.02) = 0.107% QD LYS+ 81 - QG2 VAL 43 12.500% * 0.1055% (0.42 1.0 1.00 0.02 0.02) = 0.106% HB2 LYS+ 99 - QD2 LEU 31 12.500% * 0.0329% (0.13 1.0 1.00 0.02 0.02) = 0.033% QD LYS+ 81 - QD2 LEU 31 12.500% * 0.0325% (0.13 1.0 1.00 0.02 0.02) = 0.032% HB3 GLN 17 - QG2 VAL 43 12.500% * 0.0254% (0.10 1.0 1.00 0.02 0.02) = 0.025% HB3 GLN 17 - QD2 LEU 31 12.500% * 0.0078% (0.03 1.0 1.00 0.02 0.02) = 0.008% Peak 443 (0.76, 0.06, 21.48 ppm): 12 chemical-shift based assignments, quality = 0.272, support = 3.36, residual support = 58.6: * O T QG1 VAL 43 - QG2 VAL 43 8.333% * 73.5361% (0.34 10.0 10.00 3.55 50.06) = 73.536% kept T QG1 VAL 43 - QD2 LEU 31 8.333% * 12.6466% (0.10 1.0 10.00 1.12 0.96) = 12.647% kept O T HG LEU 31 - QD2 LEU 31 8.333% * 12.4120% (0.06 10.0 10.00 4.86 174.46) = 12.412% kept QG1 VAL 41 - QG2 VAL 43 8.333% * 1.0369% (0.42 1.0 1.00 0.23 1.66) = 1.037% kept QD2 LEU 73 - QD2 LEU 31 8.333% * 0.1907% (0.03 1.0 1.00 0.56 0.85) = 0.191% QG2 VAL 18 - QG2 VAL 43 8.333% * 0.0404% (0.18 1.0 1.00 0.02 0.02) = 0.040% HG LEU 31 - QG2 VAL 43 8.333% * 0.0404% (0.18 1.0 1.00 0.02 0.96) = 0.040% QG1 VAL 41 - QD2 LEU 31 8.333% * 0.0283% (0.13 1.0 1.00 0.02 0.02) = 0.028% QG2 THR 46 - QG2 VAL 43 8.333% * 0.0261% (0.12 1.0 1.00 0.02 0.02) = 0.026% QD2 LEU 73 - QG2 VAL 43 8.333% * 0.0221% (0.10 1.0 1.00 0.02 1.03) = 0.022% QG2 VAL 18 - QD2 LEU 31 8.333% * 0.0124% (0.06 1.0 1.00 0.02 0.02) = 0.012% QG2 THR 46 - QD2 LEU 31 8.333% * 0.0080% (0.04 1.0 1.00 0.02 0.02) = 0.008% Peak 444 (0.06, 0.06, 21.48 ppm): 2 diagonal assignments: * QG2 VAL 43 - QG2 VAL 43 (0.18) kept QD2 LEU 31 - QD2 LEU 31 (0.06) 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): 7 chemical-shift based assignments, quality = 0.976, support = 2.25, residual support = 31.7: * O T HB2 ASP- 44 - HA ASP- 44 14.286% * 97.5638% (1.00 10.0 10.00 2.31 32.52) = 97.564% kept T QG GLU- 14 - HA ASP- 44 14.286% * 0.9708% (1.00 1.0 10.00 0.02 0.02) = 0.971% T QG GLU- 15 - HA ASP- 44 14.286% * 0.9327% (0.96 1.0 10.00 0.02 0.02) = 0.933% T QB MET 11 - HA ASP- 44 14.286% * 0.3167% (0.32 1.0 10.00 0.02 0.02) = 0.317% HB3 PHE 72 - HA ASP- 44 14.286% * 0.0933% (0.96 1.0 1.00 0.02 0.02) = 0.093% QG GLN 90 - HA ASP- 44 14.286% * 0.0861% (0.88 1.0 1.00 0.02 0.02) = 0.086% HG12 ILE 119 - HA ASP- 44 14.286% * 0.0366% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 447 (1.34, 4.29, 51.33 ppm): 10 chemical-shift based assignments, quality = 0.994, support = 2.75, residual support = 32.3: * O T HB3 ASP- 44 - HA ASP- 44 10.000% * 99.4127% (1.00 10.0 10.00 2.77 32.52) = 99.413% kept HB2 LEU 63 - HA ASP- 44 10.000% * 0.0950% (0.96 1.0 1.00 0.02 0.02) = 0.095% QB ALA 124 - HA ASP- 44 10.000% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 LEU 80 - HA ASP- 44 10.000% * 0.0830% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG LEU 98 - HA ASP- 44 10.000% * 0.0778% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 31 - HA ASP- 44 10.000% * 0.0603% (0.61 1.0 1.00 0.02 0.24) = 0.060% QB ALA 84 - HA ASP- 44 10.000% * 0.0603% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 93 - HA ASP- 44 10.000% * 0.0543% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 LYS+ 111 - HA ASP- 44 10.000% * 0.0484% (0.49 1.0 1.00 0.02 0.27) = 0.048% HG2 LYS+ 99 - HA ASP- 44 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 448 (4.29, 2.27, 38.87 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 2.3, residual support = 32.4: * O T HA ASP- 44 - HB2 ASP- 44 10.000% * 99.5128% (1.00 10.0 10.00 2.31 32.52) = 99.513% kept HA MET 11 - HB2 ASP- 44 10.000% * 0.0990% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB THR 77 - HB2 ASP- 44 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA SER 85 - HB2 ASP- 44 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA ILE 103 - HB2 ASP- 44 10.000% * 0.0878% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 79 - HB2 ASP- 44 10.000% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA THR 39 - HB2 ASP- 44 10.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA ALA 12 - HB2 ASP- 44 10.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA ASP- 86 - HB2 ASP- 44 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 51 - HB2 ASP- 44 10.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% 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): 10 chemical-shift based assignments, quality = 0.985, support = 2.4, residual support = 31.7: * O T HB3 ASP- 44 - HB2 ASP- 44 10.000% * 97.3643% (1.00 10.0 10.00 2.45 32.52) = 97.364% kept HB3 PRO 93 - HB2 ASP- 44 10.000% * 2.1137% (0.55 1.0 1.00 0.80 0.02) = 2.114% kept HB2 LEU 63 - HB2 ASP- 44 10.000% * 0.0931% (0.96 1.0 1.00 0.02 0.02) = 0.093% QB ALA 124 - HB2 ASP- 44 10.000% * 0.0899% (0.92 1.0 1.00 0.02 0.02) = 0.090% HB3 LEU 80 - HB2 ASP- 44 10.000% * 0.0813% (0.84 1.0 1.00 0.02 0.02) = 0.081% HG LEU 98 - HB2 ASP- 44 10.000% * 0.0762% (0.78 1.0 1.00 0.02 0.02) = 0.076% HB2 LEU 31 - HB2 ASP- 44 10.000% * 0.0591% (0.61 1.0 1.00 0.02 0.24) = 0.059% QB ALA 84 - HB2 ASP- 44 10.000% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HG2 LYS+ 111 - HB2 ASP- 44 10.000% * 0.0474% (0.49 1.0 1.00 0.02 0.27) = 0.047% HG2 LYS+ 99 - HB2 ASP- 44 10.000% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 451 (4.29, 1.34, 38.87 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 2.76, residual support = 32.4: * O T HA ASP- 44 - HB3 ASP- 44 10.000% * 99.5128% (1.00 10.0 10.00 2.77 32.52) = 99.513% kept HA MET 11 - HB3 ASP- 44 10.000% * 0.0990% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB THR 77 - HB3 ASP- 44 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA SER 85 - HB3 ASP- 44 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA ILE 103 - HB3 ASP- 44 10.000% * 0.0878% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA GLU- 79 - HB3 ASP- 44 10.000% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA THR 39 - HB3 ASP- 44 10.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA ALA 12 - HB3 ASP- 44 10.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA ASP- 86 - HB3 ASP- 44 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 51 - HB3 ASP- 44 10.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 452 (2.27, 1.34, 38.87 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 2.44, residual support = 32.4: * O T HB2 ASP- 44 - HB3 ASP- 44 14.286% * 99.5531% (1.00 10.0 10.00 2.45 32.52) = 99.553% kept QG GLU- 14 - HB3 ASP- 44 14.286% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 PHE 72 - HB3 ASP- 44 14.286% * 0.0952% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG GLU- 15 - HB3 ASP- 44 14.286% * 0.0952% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG GLN 90 - HB3 ASP- 44 14.286% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HG12 ILE 119 - HB3 ASP- 44 14.286% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB MET 11 - HB3 ASP- 44 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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): 2 chemical-shift based assignments, quality = 0.999, support = 2.74, residual support = 55.0: * O T HB2 PHE 45 - HA PHE 45 50.000% * 99.9118% (1.00 10.0 10.00 2.74 55.08) = 99.912% kept QE LYS+ 111 - HA PHE 45 50.000% * 0.0882% (0.88 1.0 1.00 0.02 1.41) = 0.088% Peak 456 (2.42, 4.86, 58.73 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.35, residual support = 55.0: * O T HB3 PHE 45 - HA PHE 45 20.000% * 99.7885% (1.00 10.0 10.00 3.36 55.08) = 99.789% kept QE LYS+ 112 - HA PHE 45 20.000% * 0.0998% (1.00 1.0 1.00 0.02 0.45) = 0.100% HB VAL 107 - HA PHE 45 20.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 29 - HA PHE 45 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 86 - HA PHE 45 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 457 (4.86, 3.05, 39.30 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 55.1: * O T HA PHE 45 - HB2 PHE 45 50.000% * 99.9675% (1.00 10.0 10.00 2.74 55.08) = 99.968% kept HA VAL 41 - HB2 PHE 45 50.000% * 0.0325% (0.32 1.0 1.00 0.02 0.56) = 0.032% 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 = 0.998, support = 3.29, residual support = 55.0: * O T HB3 PHE 45 - HB2 PHE 45 20.000% * 99.7885% (1.00 10.0 10.00 3.29 55.08) = 99.789% kept QE LYS+ 112 - HB2 PHE 45 20.000% * 0.0998% (1.00 1.0 1.00 0.02 0.45) = 0.100% HB VAL 107 - HB2 PHE 45 20.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 29 - HB2 PHE 45 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 86 - HB2 PHE 45 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 460 (4.86, 2.42, 39.30 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.35, residual support = 55.1: * O T HA PHE 45 - HB3 PHE 45 50.000% * 99.9675% (1.00 10.0 10.00 3.36 55.08) = 99.968% kept HA VAL 41 - HB3 PHE 45 50.000% * 0.0325% (0.32 1.0 1.00 0.02 0.56) = 0.032% Peak 461 (3.05, 2.42, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.29, residual support = 55.0: * O T HB2 PHE 45 - HB3 PHE 45 50.000% * 99.9118% (1.00 10.0 10.00 3.29 55.08) = 99.912% kept QE LYS+ 111 - HB3 PHE 45 50.000% * 0.0882% (0.88 1.0 1.00 0.02 1.41) = 0.088% 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 (0.96) kept HA SER 13 - HA SER 13 (0.13) kept Peak 464 (3.44, 4.42, 58.68 ppm): 9 chemical-shift based assignments, quality = 0.972, support = 2.22, residual support = 22.5: * O T HB THR 46 - HA THR 46 11.111% * 95.6259% (1.00 10.0 10.00 2.31 23.52) = 95.626% kept HB2 HIS 122 - HA THR 46 11.111% * 2.0190% (0.78 1.0 1.00 0.54 0.78) = 2.019% kept T HB THR 46 - HA SER 37 11.111% * 0.9370% (0.98 1.0 10.00 0.02 0.02) = 0.937% HA LYS+ 112 - HA THR 46 11.111% * 0.9349% (0.38 1.0 1.00 0.52 0.02) = 0.935% T HB THR 46 - HA SER 13 11.111% * 0.3358% (0.35 1.0 10.00 0.02 0.02) = 0.336% HB2 HIS 122 - HA SER 37 11.111% * 0.0733% (0.77 1.0 1.00 0.02 0.02) = 0.073% HA LYS+ 112 - HA SER 37 11.111% * 0.0352% (0.37 1.0 1.00 0.02 0.02) = 0.035% HB2 HIS 122 - HA SER 13 11.111% * 0.0263% (0.27 1.0 1.00 0.02 0.02) = 0.026% HA LYS+ 112 - HA SER 13 11.111% * 0.0126% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 465 (0.75, 4.42, 58.68 ppm): 18 chemical-shift based assignments, quality = 0.967, support = 2.7, residual support = 21.4: * O T QG2 THR 46 - HA THR 46 5.556% * 90.6206% (1.00 10.0 10.00 2.88 23.52) = 90.621% kept QG2 VAL 18 - HA THR 46 5.556% * 6.3774% (0.96 1.0 1.00 1.47 0.94) = 6.377% kept T QG2 THR 46 - HA SER 37 5.556% * 0.8880% (0.98 1.0 10.00 0.02 0.02) = 0.888% QD1 ILE 19 - HA THR 46 5.556% * 0.7963% (0.67 1.0 1.00 0.26 2.20) = 0.796% QG1 VAL 43 - HA THR 46 5.556% * 0.5533% (0.67 1.0 1.00 0.18 0.02) = 0.553% T QG2 THR 46 - HA SER 13 5.556% * 0.3182% (0.35 1.0 10.00 0.02 0.02) = 0.318% QG2 VAL 18 - HA SER 37 5.556% * 0.0849% (0.94 1.0 1.00 0.02 0.02) = 0.085% QD1 ILE 19 - HA SER 37 5.556% * 0.0592% (0.65 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 43 - HA SER 37 5.556% * 0.0592% (0.65 1.0 1.00 0.02 0.02) = 0.059% QD2 LEU 104 - HA THR 46 5.556% * 0.0389% (0.43 1.0 1.00 0.02 0.02) = 0.039% QD2 LEU 104 - HA SER 37 5.556% * 0.0381% (0.42 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 41 - HA THR 46 5.556% * 0.0340% (0.38 1.0 1.00 0.02 0.02) = 0.034% QG1 VAL 41 - HA SER 37 5.556% * 0.0333% (0.37 1.0 1.00 0.02 0.02) = 0.033% QG2 VAL 18 - HA SER 13 5.556% * 0.0304% (0.34 1.0 1.00 0.02 0.02) = 0.030% QD1 ILE 19 - HA SER 13 5.556% * 0.0212% (0.23 1.0 1.00 0.02 0.02) = 0.021% QG1 VAL 43 - HA SER 13 5.556% * 0.0212% (0.23 1.0 1.00 0.02 0.02) = 0.021% QD2 LEU 104 - HA SER 13 5.556% * 0.0137% (0.15 1.0 1.00 0.02 0.02) = 0.014% QG1 VAL 41 - HA SER 13 5.556% * 0.0119% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 466 (4.42, 3.44, 70.99 ppm): 8 chemical-shift based assignments, quality = 0.985, support = 2.28, residual support = 23.2: * O T HA THR 46 - HB THR 46 12.500% * 98.4605% (1.00 10.0 10.00 2.31 23.52) = 98.461% kept T HA SER 37 - HB THR 46 12.500% * 0.9651% (0.98 1.0 10.00 0.02 0.02) = 0.965% T HA SER 13 - HB THR 46 12.500% * 0.3695% (0.38 1.0 10.00 0.02 0.02) = 0.370% HA GLN 17 - HB THR 46 12.500% * 0.0965% (0.98 1.0 1.00 0.02 0.02) = 0.097% HA GLU- 15 - HB THR 46 12.500% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA PRO 58 - HB THR 46 12.500% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA VAL 42 - HB THR 46 12.500% * 0.0232% (0.24 1.0 1.00 0.02 0.23) = 0.023% HA LEU 40 - HB THR 46 12.500% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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 = 2.23, residual support = 23.0: * O T QG2 THR 46 - HB THR 46 16.667% * 97.5689% (1.00 10.0 10.00 2.27 23.52) = 97.569% kept QG2 VAL 18 - HB THR 46 16.667% * 2.2224% (0.96 1.0 1.00 0.48 0.94) = 2.222% kept QG1 VAL 43 - HB THR 46 16.667% * 0.0651% (0.67 1.0 1.00 0.02 0.02) = 0.065% QD1 ILE 19 - HB THR 46 16.667% * 0.0651% (0.67 1.0 1.00 0.02 2.20) = 0.065% QD2 LEU 104 - HB THR 46 16.667% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% QG1 VAL 41 - HB THR 46 16.667% * 0.0366% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 469 (4.42, 0.75, 18.88 ppm): 8 chemical-shift based assignments, quality = 0.977, support = 2.82, residual support = 23.0: * O T HA THR 46 - QG2 THR 46 12.500% * 97.7425% (1.00 10.0 10.00 2.88 23.52) = 97.743% kept T HA SER 37 - QG2 THR 46 12.500% * 0.9581% (0.98 1.0 10.00 0.02 0.02) = 0.958% HA VAL 42 - QG2 THR 46 12.500% * 0.7522% (0.24 1.0 1.00 0.65 0.23) = 0.752% T HA SER 13 - QG2 THR 46 12.500% * 0.3668% (0.38 1.0 10.00 0.02 0.02) = 0.367% HA GLN 17 - QG2 THR 46 12.500% * 0.0958% (0.98 1.0 1.00 0.02 0.02) = 0.096% HA GLU- 15 - QG2 THR 46 12.500% * 0.0367% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA PRO 58 - QG2 THR 46 12.500% * 0.0317% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA LEU 40 - QG2 THR 46 12.500% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 470 (3.44, 0.75, 18.88 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 2.22, residual support = 22.7: * O T HB THR 46 - QG2 THR 46 33.333% * 96.3779% (1.00 10.0 10.00 2.27 23.52) = 96.378% kept HB2 HIS 122 - QG2 THR 46 33.333% * 2.4757% (0.78 1.0 1.00 0.66 0.78) = 2.476% kept HA LYS+ 112 - QG2 THR 46 33.333% * 1.1464% (0.38 1.0 1.00 0.63 0.02) = 1.146% 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): 3 chemical-shift based assignments, quality = 0.863, support = 1.69, residual support = 7.04: * O T QB ALA 47 - HA ALA 47 33.333% * 87.7935% (0.88 10.0 10.00 1.88 8.02) = 87.793% kept T QG1 VAL 42 - HA ALA 47 33.333% * 12.1831% (0.73 1.0 10.00 0.34 0.02) = 12.183% kept HG2 LYS+ 112 - HA ALA 47 33.333% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 474 (4.56, 0.37, 21.60 ppm): 6 chemical-shift based assignments, quality = 0.842, support = 1.72, residual support = 7.11: * O T HA ALA 47 - QB ALA 47 16.667% * 88.1372% (0.88 10.0 10.00 1.88 8.02) = 88.137% kept T HA ALA 47 - QG1 VAL 42 16.667% * 10.2160% (0.61 1.0 10.00 0.34 0.02) = 10.216% kept HA CYS 50 - QB ALA 47 16.667% * 1.4946% (0.15 1.0 1.00 2.06 2.82) = 1.495% kept HA VAL 108 - QB ALA 47 16.667% * 0.0843% (0.84 1.0 1.00 0.02 0.02) = 0.084% HA VAL 108 - QG1 VAL 42 16.667% * 0.0579% (0.58 1.0 1.00 0.02 0.02) = 0.058% HA CYS 50 - QG1 VAL 42 16.667% * 0.0100% (0.10 1.0 1.00 0.02 0.40) = 0.010% Peak 475 (0.37, 0.37, 21.60 ppm): 2 diagonal assignments: * QB ALA 47 - QB ALA 47 (0.78) kept QG1 VAL 42 - QG1 VAL 42 (0.44) 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 (0.20) kept Peak 477 (3.94, 3.99, 61.71 ppm): 18 chemical-shift based assignments, quality = 0.957, support = 1.71, residual support = 9.6: * O T QB SER 48 - HA SER 48 5.556% * 94.3215% (1.00 10.0 10.00 1.80 10.18) = 94.322% kept T QB SER 85 - HA SER 48 5.556% * 4.2854% (0.32 1.0 10.00 0.28 0.02) = 4.285% kept T QB SER 117 - HA SER 48 5.556% * 0.3540% (0.38 1.0 10.00 0.02 0.02) = 0.354% T QB SER 48 - HB2 SER 82 5.556% * 0.3141% (0.33 1.0 10.00 0.02 0.02) = 0.314% T QB SER 117 - HB2 SER 82 5.556% * 0.1179% (0.12 1.0 10.00 0.02 0.02) = 0.118% T QB SER 85 - HB2 SER 82 5.556% * 0.1020% (0.11 1.0 10.00 0.02 0.15) = 0.102% HB THR 94 - HA SER 48 5.556% * 0.0902% (0.96 1.0 1.00 0.02 0.02) = 0.090% HA LYS+ 121 - HA SER 48 5.556% * 0.0832% (0.88 1.0 1.00 0.02 0.02) = 0.083% HA ALA 120 - HA SER 48 5.556% * 0.0788% (0.84 1.0 1.00 0.02 0.02) = 0.079% HA2 GLY 51 - HA SER 48 5.556% * 0.0738% (0.78 1.0 1.00 0.02 0.02) = 0.074% HA2 GLY 16 - HA SER 48 5.556% * 0.0306% (0.32 1.0 1.00 0.02 0.02) = 0.031% HB THR 94 - HB2 SER 82 5.556% * 0.0300% (0.32 1.0 1.00 0.02 0.02) = 0.030% HA LYS+ 121 - HB2 SER 82 5.556% * 0.0277% (0.29 1.0 1.00 0.02 0.02) = 0.028% HA ALA 120 - HB2 SER 82 5.556% * 0.0262% (0.28 1.0 1.00 0.02 0.02) = 0.026% HA2 GLY 51 - HB2 SER 82 5.556% * 0.0246% (0.26 1.0 1.00 0.02 0.02) = 0.025% HA LYS+ 65 - HA SER 48 5.556% * 0.0222% (0.24 1.0 1.00 0.02 0.02) = 0.022% HA2 GLY 16 - HB2 SER 82 5.556% * 0.0102% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA LYS+ 65 - HB2 SER 82 5.556% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 478 (3.99, 3.94, 63.31 ppm): 24 chemical-shift based assignments, quality = 0.955, support = 1.75, residual support = 9.71: * O T HA SER 48 - QB SER 48 4.167% * 95.2942% (1.00 10.0 10.00 1.80 10.18) = 95.294% kept T HD2 PRO 52 - QB SER 85 4.167% * 3.3054% (0.06 1.0 10.00 1.09 0.15) = 3.305% kept T HB2 SER 82 - QB SER 48 4.167% * 0.5780% (0.61 1.0 10.00 0.02 0.02) = 0.578% T HA SER 48 - QB SER 117 4.167% * 0.1438% (0.15 1.0 10.00 0.02 0.02) = 0.144% T HA SER 48 - QB SER 85 4.167% * 0.1244% (0.13 1.0 10.00 0.02 0.02) = 0.124% T HB2 SER 82 - QB SER 117 4.167% * 0.0872% (0.09 1.0 10.00 0.02 0.02) = 0.087% HA ALA 88 - QB SER 48 4.167% * 0.0796% (0.84 1.0 1.00 0.02 0.02) = 0.080% T HB2 SER 82 - QB SER 85 4.167% * 0.0754% (0.08 1.0 10.00 0.02 0.15) = 0.075% HA GLN 32 - QB SER 48 4.167% * 0.0746% (0.78 1.0 1.00 0.02 0.02) = 0.075% HD2 PRO 52 - QB SER 48 4.167% * 0.0464% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA VAL 18 - QB SER 48 4.167% * 0.0464% (0.49 1.0 1.00 0.02 0.02) = 0.046% HA GLU- 29 - QB SER 48 4.167% * 0.0409% (0.43 1.0 1.00 0.02 0.02) = 0.041% HA LYS+ 33 - QB SER 48 4.167% * 0.0225% (0.24 1.0 1.00 0.02 0.02) = 0.022% HA ALA 88 - QB SER 117 4.167% * 0.0120% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA GLN 32 - QB SER 117 4.167% * 0.0113% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA ALA 88 - QB SER 85 4.167% * 0.0104% (0.11 1.0 1.00 0.02 0.02) = 0.010% HA GLN 32 - QB SER 85 4.167% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% HD2 PRO 52 - QB SER 117 4.167% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA VAL 18 - QB SER 117 4.167% * 0.0070% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA GLU- 29 - QB SER 117 4.167% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA VAL 18 - QB SER 85 4.167% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA GLU- 29 - QB SER 85 4.167% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% HA LYS+ 33 - QB SER 117 4.167% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% HA LYS+ 33 - QB SER 85 4.167% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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 (0.06) kept QB SER 85 - QB SER 85 (0.04) 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 (0.78) kept Peak 481 (3.69, 4.58, 54.06 ppm): 10 chemical-shift based assignments, quality = 0.935, support = 3.51, residual support = 42.6: * O T HB2 TRP 49 - HA TRP 49 10.000% * 52.7411% (1.00 10.0 10.00 3.76 69.82) = 52.741% kept T HB2 TRP 49 - HA CYS 50 10.000% * 46.3760% (0.88 1.0 10.00 3.30 12.38) = 46.376% kept T HA2 GLY 109 - HA TRP 49 10.000% * 0.3199% (0.61 1.0 10.00 0.02 0.02) = 0.320% T HA2 GLY 109 - HA CYS 50 10.000% * 0.2813% (0.53 1.0 10.00 0.02 0.02) = 0.281% HA ILE 119 - HA TRP 49 10.000% * 0.0517% (0.98 1.0 1.00 0.02 0.02) = 0.052% HA THR 118 - HA TRP 49 10.000% * 0.0517% (0.98 1.0 1.00 0.02 0.13) = 0.052% HA ALA 84 - HA TRP 49 10.000% * 0.0465% (0.88 1.0 1.00 0.02 0.02) = 0.047% HA ILE 119 - HA CYS 50 10.000% * 0.0455% (0.86 1.0 1.00 0.02 0.02) = 0.045% HA THR 118 - HA CYS 50 10.000% * 0.0455% (0.86 1.0 1.00 0.02 0.02) = 0.045% HA ALA 84 - HA CYS 50 10.000% * 0.0409% (0.78 1.0 1.00 0.02 0.02) = 0.041% Peak 482 (3.15, 4.58, 54.06 ppm): 4 chemical-shift based assignments, quality = 0.629, support = 3.56, residual support = 42.9: * O T HB3 TRP 49 - HA TRP 49 25.000% * 53.1625% (0.67 10.0 10.00 3.76 69.82) = 53.163% kept T HB3 TRP 49 - HA CYS 50 25.000% * 46.7466% (0.59 1.0 10.00 3.33 12.38) = 46.747% kept HB3 PHE 59 - HA TRP 49 25.000% * 0.0483% (0.61 1.0 1.00 0.02 0.02) = 0.048% HB3 PHE 59 - HA CYS 50 25.000% * 0.0425% (0.53 1.0 1.00 0.02 0.02) = 0.043% Peak 483 (4.58, 3.69, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.943, support = 3.36, residual support = 40.5: * O T HA TRP 49 - HB2 TRP 49 20.000% * 50.1330% (1.00 10.0 10.00 3.76 69.82) = 50.133% kept T HA CYS 50 - HB2 TRP 49 20.000% * 44.2422% (0.88 1.0 10.00 3.30 12.38) = 44.242% kept T HA1 GLY 109 - HB2 TRP 49 20.000% * 5.5618% (0.92 1.0 10.00 0.24 0.02) = 5.562% kept HA CYS 21 - HB2 TRP 49 20.000% * 0.0442% (0.88 1.0 1.00 0.02 0.02) = 0.044% HA LYS+ 102 - HB2 TRP 49 20.000% * 0.0188% (0.38 1.0 1.00 0.02 0.02) = 0.019% 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 = 0.666, support = 3.0, residual support = 69.8: * O T HB3 TRP 49 - HB2 TRP 49 50.000% * 99.9091% (0.67 10.0 10.00 3.00 69.82) = 99.909% kept HB3 PHE 59 - HB2 TRP 49 50.000% * 0.0909% (0.61 1.0 1.00 0.02 0.02) = 0.091% Peak 486 (4.58, 3.15, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.626, support = 3.54, residual support = 42.6: * O T HA TRP 49 - HB3 TRP 49 20.000% * 52.7747% (0.67 10.0 10.00 3.76 69.82) = 52.775% kept T HA CYS 50 - HB3 TRP 49 20.000% * 46.5735% (0.59 1.0 10.00 3.33 12.38) = 46.573% kept HA1 GLY 109 - HB3 TRP 49 20.000% * 0.5855% (0.62 1.0 1.00 0.24 0.02) = 0.585% HA CYS 21 - HB3 TRP 49 20.000% * 0.0466% (0.59 1.0 1.00 0.02 0.02) = 0.047% HA LYS+ 102 - HB3 TRP 49 20.000% * 0.0198% (0.25 1.0 1.00 0.02 0.02) = 0.020% Peak 487 (3.69, 3.15, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.665, support = 2.99, residual support = 69.6: * O T HB2 TRP 49 - HB3 TRP 49 20.000% * 99.6562% (0.67 10.0 10.00 3.00 69.82) = 99.656% kept HA ILE 119 - HB3 TRP 49 20.000% * 0.0977% (0.65 1.0 1.00 0.02 0.02) = 0.098% HA THR 118 - HB3 TRP 49 20.000% * 0.0977% (0.65 1.0 1.00 0.02 0.13) = 0.098% HA ALA 84 - HB3 TRP 49 20.000% * 0.0879% (0.59 1.0 1.00 0.02 0.02) = 0.088% HA2 GLY 109 - HB3 TRP 49 20.000% * 0.0604% (0.40 1.0 1.00 0.02 0.02) = 0.060% Peak 488 (3.15, 3.15, 29.61 ppm): 1 diagonal assignment: * HB3 TRP 49 - HB3 TRP 49 (0.44) 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 (0.78) kept Peak 490 (2.80, 4.58, 54.04 ppm): 6 chemical-shift based assignments, quality = 0.942, support = 2.16, residual support = 9.22: * O T QB CYS 50 - HA CYS 50 16.667% * 53.1258% (1.00 10.0 10.00 1.64 6.46) = 53.126% kept T QB CYS 50 - HA TRP 49 16.667% * 46.7143% (0.88 1.0 10.00 2.75 12.38) = 46.714% kept QE LYS+ 74 - HA CYS 50 16.667% * 0.0529% (1.00 1.0 1.00 0.02 0.02) = 0.053% QE LYS+ 74 - HA TRP 49 16.667% * 0.0465% (0.87 1.0 1.00 0.02 0.02) = 0.046% HB3 ASN 69 - HA CYS 50 16.667% * 0.0322% (0.61 1.0 1.00 0.02 0.02) = 0.032% HB3 ASN 69 - HA TRP 49 16.667% * 0.0283% (0.53 1.0 1.00 0.02 0.02) = 0.028% Peak 491 (4.58, 2.80, 44.93 ppm): 6 chemical-shift based assignments, quality = 0.932, support = 2.13, residual support = 9.05: * O T HA CYS 50 - QB CYS 50 16.667% * 52.0253% (1.00 10.0 10.00 1.64 6.46) = 52.025% kept T HA TRP 49 - QB CYS 50 16.667% * 45.9122% (0.88 1.0 10.00 2.75 12.38) = 45.912% kept HA CYS 21 - QB CYS 50 16.667% * 1.1404% (0.61 1.0 1.00 0.72 0.02) = 1.140% kept HA ALA 47 - QB CYS 50 16.667% * 0.7167% (0.16 1.0 1.00 1.68 2.82) = 0.717% HA1 GLY 109 - QB CYS 50 16.667% * 0.1967% (1.00 1.0 1.00 0.08 0.02) = 0.197% HA LYS+ 102 - QB CYS 50 16.667% * 0.0086% (0.16 1.0 1.00 0.02 0.02) = 0.009% 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): 3 chemical-shift based assignments, quality = 0.999, support = 5.92, residual support = 195.6: * O T HA PRO 52 - HD2 PRO 52 33.333% * 99.9389% (1.00 10.0 10.00 5.92 195.71) = 99.939% kept HA LYS+ 111 - HD2 PRO 52 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% HA TRP 27 - HD2 PRO 52 33.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 494 (2.63, 3.98, 51.93 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 195.7: * O T HB2 PRO 52 - HD2 PRO 52 50.000% * 99.9722% (1.00 10.0 10.00 6.15 195.71) = 99.972% kept HB2 ASP- 62 - HD2 PRO 52 50.000% * 0.0278% (0.28 1.0 1.00 0.02 2.09) = 0.028% Peak 495 (1.84, 3.98, 51.93 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.93, residual support = 195.2: * O T HB3 PRO 52 - HD2 PRO 52 16.667% * 99.7236% (1.00 10.0 10.00 5.94 195.71) = 99.724% kept HG LEU 123 - HD2 PRO 52 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HD2 PRO 52 16.667% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB VAL 41 - HD2 PRO 52 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB LYS+ 66 - HD2 PRO 52 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 68 - HD2 PRO 52 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 496 (2.32, 3.98, 51.93 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 5.24, residual support = 193.7: * O T HG2 PRO 52 - HD2 PRO 52 16.667% * 98.9545% (1.00 10.0 10.00 5.30 195.71) = 98.954% kept HB2 GLU- 79 - HD2 PRO 52 16.667% * 0.8358% (0.61 1.0 1.00 0.28 0.02) = 0.836% HG3 GLU- 25 - HD2 PRO 52 16.667% * 0.0873% (0.88 1.0 1.00 0.02 0.02) = 0.087% QG GLU- 114 - HD2 PRO 52 16.667% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG2 MET 92 - HD2 PRO 52 16.667% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HD2 PRO 52 16.667% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 497 (2.08, 3.98, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.84, residual support = 193.4: * O T HG3 PRO 52 - HD2 PRO 52 25.000% * 98.8205% (1.00 10.0 10.00 5.91 195.71) = 98.820% kept T HG2 PRO 58 - HD2 PRO 52 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HD2 PRO 52 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HD2 PRO 52 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% 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): 2 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 195.7: * O T HB2 PRO 52 - HA PRO 52 50.000% * 99.9722% (1.00 10.0 10.00 5.25 195.71) = 99.972% kept HB2 ASP- 62 - HA PRO 52 50.000% * 0.0278% (0.28 1.0 1.00 0.02 2.09) = 0.028% Peak 501 (1.84, 4.51, 65.44 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 195.2: * O T HB3 PRO 52 - HA PRO 52 16.667% * 99.7236% (1.00 10.0 10.00 5.98 195.71) = 99.724% kept HG LEU 123 - HA PRO 52 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HA PRO 52 16.667% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB VAL 41 - HA PRO 52 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB LYS+ 66 - HA PRO 52 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 68 - HA PRO 52 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 502 (2.32, 4.51, 65.44 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.29, residual support = 195.2: * O T HG2 PRO 52 - HA PRO 52 16.667% * 99.7281% (1.00 10.0 10.00 5.31 195.71) = 99.728% kept HG3 GLU- 25 - HA PRO 52 16.667% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HA PRO 52 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% QG GLU- 114 - HA PRO 52 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG2 MET 92 - HA PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HA PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 503 (2.08, 4.51, 65.44 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.87, residual support = 193.4: * O T HG3 PRO 52 - HA PRO 52 25.000% * 98.8205% (1.00 10.0 10.00 5.94 195.71) = 98.820% kept T HG2 PRO 58 - HA PRO 52 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HA PRO 52 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HA PRO 52 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% Peak 504 (3.98, 4.51, 65.44 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 5.91, residual support = 195.2: * O T HD2 PRO 52 - HA PRO 52 14.286% * 99.7130% (1.00 10.0 10.00 5.92 195.71) = 99.713% kept HA GLN 32 - HA PRO 52 14.286% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ALA 88 - HA PRO 52 14.286% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 48 - HA PRO 52 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA LYS+ 65 - HA PRO 52 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB SER 85 - HA PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.15) = 0.020% HA2 GLY 16 - HA PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 505 (4.51, 2.63, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.24, residual support = 195.6: * O T HA PRO 52 - HB2 PRO 52 33.333% * 99.9389% (1.00 10.0 10.00 5.25 195.71) = 99.939% kept HA LYS+ 111 - HB2 PRO 52 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% HA TRP 27 - HB2 PRO 52 33.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 506 (2.63, 2.63, 32.81 ppm): 1 diagonal assignment: * HB2 PRO 52 - HB2 PRO 52 (1.00) kept Peak 507 (1.84, 2.63, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 6.18, residual support = 195.2: * O T HB3 PRO 52 - HB2 PRO 52 16.667% * 99.7236% (1.00 10.0 10.00 6.20 195.71) = 99.724% kept HG LEU 123 - HB2 PRO 52 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HB2 PRO 52 16.667% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB VAL 41 - HB2 PRO 52 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB LYS+ 66 - HB2 PRO 52 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 68 - HB2 PRO 52 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 508 (2.32, 2.63, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.23, residual support = 195.2: * O T HG2 PRO 52 - HB2 PRO 52 16.667% * 99.7281% (1.00 10.0 10.00 5.25 195.71) = 99.728% kept HG3 GLU- 25 - HB2 PRO 52 16.667% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HB2 PRO 52 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% QG GLU- 114 - HB2 PRO 52 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG2 MET 92 - HB2 PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HB2 PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 509 (2.08, 2.63, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 5.92, residual support = 187.8: * O T HG3 PRO 52 - HB2 PRO 52 25.000% * 95.9502% (1.00 10.0 10.00 6.16 195.71) = 95.950% kept T HG2 PRO 58 - HB2 PRO 52 25.000% * 3.8640% (1.00 1.0 10.00 0.08 0.02) = 3.864% kept HB2 GLU- 14 - HB2 PRO 52 25.000% * 0.0941% (0.98 1.0 1.00 0.02 0.02) = 0.094% HG2 MET 11 - HB2 PRO 52 25.000% * 0.0917% (0.96 1.0 1.00 0.02 0.02) = 0.092% Peak 510 (3.98, 2.63, 32.81 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 6.13, residual support = 195.2: * O T HD2 PRO 52 - HB2 PRO 52 14.286% * 99.7130% (1.00 10.0 10.00 6.15 195.71) = 99.713% kept HA GLN 32 - HB2 PRO 52 14.286% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ALA 88 - HB2 PRO 52 14.286% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 48 - HB2 PRO 52 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA LYS+ 65 - HB2 PRO 52 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB SER 85 - HB2 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.15) = 0.020% HA2 GLY 16 - HB2 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 511 (4.51, 1.84, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.98, residual support = 195.6: * O T HA PRO 52 - HB3 PRO 52 33.333% * 99.9389% (1.00 10.0 10.00 5.98 195.71) = 99.939% kept HA LYS+ 111 - HB3 PRO 52 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% HA TRP 27 - HB3 PRO 52 33.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 512 (2.63, 1.84, 32.81 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 195.7: * O T HB2 PRO 52 - HB3 PRO 52 50.000% * 99.9722% (1.00 10.0 10.00 6.20 195.71) = 99.972% kept HB2 ASP- 62 - HB3 PRO 52 50.000% * 0.0278% (0.28 1.0 1.00 0.02 2.09) = 0.028% 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 = 0.997, support = 5.3, residual support = 195.2: * O T HG2 PRO 52 - HB3 PRO 52 16.667% * 99.7281% (1.00 10.0 10.00 5.31 195.71) = 99.728% kept HG3 GLU- 25 - HB3 PRO 52 16.667% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 GLU- 79 - HB3 PRO 52 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% QG GLU- 114 - HB3 PRO 52 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG2 MET 92 - HB3 PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HB3 PRO 52 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 515 (2.08, 1.84, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.89, residual support = 193.4: * O T HG3 PRO 52 - HB3 PRO 52 25.000% * 98.8205% (1.00 10.0 10.00 5.96 195.71) = 98.820% kept T HG2 PRO 58 - HB3 PRO 52 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HB3 PRO 52 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HB3 PRO 52 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% Peak 516 (3.98, 1.84, 32.81 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 5.93, residual support = 195.2: * O T HD2 PRO 52 - HB3 PRO 52 14.286% * 99.7130% (1.00 10.0 10.00 5.94 195.71) = 99.713% kept HA GLN 32 - HB3 PRO 52 14.286% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ALA 88 - HB3 PRO 52 14.286% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 48 - HB3 PRO 52 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA LYS+ 65 - HB3 PRO 52 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB SER 85 - HB3 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.15) = 0.020% HA2 GLY 16 - HB3 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 517 (4.51, 2.32, 28.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.3, residual support = 195.6: * O T HA PRO 52 - HG2 PRO 52 33.333% * 99.9389% (1.00 10.0 10.00 5.31 195.71) = 99.939% kept HA LYS+ 111 - HG2 PRO 52 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% HA TRP 27 - HG2 PRO 52 33.333% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 518 (2.63, 2.32, 28.73 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 195.7: * O T HB2 PRO 52 - HG2 PRO 52 50.000% * 99.9722% (1.00 10.0 10.00 5.25 195.71) = 99.972% kept HB2 ASP- 62 - HG2 PRO 52 50.000% * 0.0278% (0.28 1.0 1.00 0.02 2.09) = 0.028% Peak 519 (1.84, 2.32, 28.73 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.3, residual support = 195.2: * O T HB3 PRO 52 - HG2 PRO 52 16.667% * 99.7236% (1.00 10.0 10.00 5.31 195.71) = 99.724% kept HG LEU 123 - HG2 PRO 52 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HG12 ILE 103 - HG2 PRO 52 16.667% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB VAL 41 - HG2 PRO 52 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% QB LYS+ 66 - HG2 PRO 52 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG3 PRO 68 - HG2 PRO 52 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 4 chemical-shift based assignments, quality = 0.988, support = 5.24, residual support = 193.4: * O T HG3 PRO 52 - HG2 PRO 52 25.000% * 98.8205% (1.00 10.0 10.00 5.30 195.71) = 98.820% kept T HG2 PRO 58 - HG2 PRO 52 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HG2 PRO 52 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HG2 PRO 52 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% Peak 522 (3.98, 2.32, 28.73 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 5.28, residual support = 195.2: * O T HD2 PRO 52 - HG2 PRO 52 14.286% * 99.7130% (1.00 10.0 10.00 5.30 195.71) = 99.713% kept HA GLN 32 - HG2 PRO 52 14.286% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ALA 88 - HG2 PRO 52 14.286% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 48 - HG2 PRO 52 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA LYS+ 65 - HG2 PRO 52 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB SER 85 - HG2 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.15) = 0.020% HA2 GLY 16 - HG2 PRO 52 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 523 (4.51, 2.08, 28.73 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 5.89, residual support = 193.9: * O T HA PRO 52 - HG3 PRO 52 16.667% * 99.0882% (1.00 10.0 10.00 5.94 195.71) = 99.088% kept T HA PRO 52 - HG2 PRO 58 16.667% * 0.8022% (0.81 1.0 10.00 0.02 0.02) = 0.802% HA LYS+ 111 - HG3 PRO 52 16.667% * 0.0372% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA LYS+ 111 - HG2 PRO 58 16.667% * 0.0301% (0.30 1.0 1.00 0.02 0.02) = 0.030% HA TRP 27 - HG3 PRO 52 16.667% * 0.0234% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA TRP 27 - HG2 PRO 58 16.667% * 0.0189% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 524 (2.63, 2.08, 28.73 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 5.97, residual support = 189.4: * O T HB2 PRO 52 - HG3 PRO 52 25.000% * 96.7955% (1.00 10.0 10.00 6.16 195.71) = 96.796% kept T HB2 PRO 52 - HG2 PRO 58 25.000% * 3.1558% (0.81 1.0 10.00 0.08 0.02) = 3.156% kept HB2 ASP- 62 - HG3 PRO 52 25.000% * 0.0269% (0.28 1.0 1.00 0.02 2.09) = 0.027% HB2 ASP- 62 - HG2 PRO 58 25.000% * 0.0218% (0.23 1.0 1.00 0.02 0.02) = 0.022% Peak 525 (1.84, 2.08, 28.73 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 5.89, residual support = 193.2: * O T HB3 PRO 52 - HG3 PRO 52 8.333% * 98.7059% (1.00 10.0 10.00 5.96 195.71) = 98.706% kept T HB3 PRO 52 - HG2 PRO 58 8.333% * 0.7991% (0.81 1.0 10.00 0.02 0.02) = 0.799% HG LEU 123 - HG3 PRO 52 8.333% * 0.0987% (1.00 1.0 1.00 0.02 0.02) = 0.099% HG LEU 123 - HG2 PRO 58 8.333% * 0.0799% (0.81 1.0 1.00 0.02 0.02) = 0.080% HG12 ILE 103 - HG3 PRO 52 8.333% * 0.0773% (0.78 1.0 1.00 0.02 0.02) = 0.077% HG12 ILE 103 - HG2 PRO 58 8.333% * 0.0625% (0.63 1.0 1.00 0.02 0.02) = 0.063% HB VAL 41 - HG3 PRO 52 8.333% * 0.0539% (0.55 1.0 1.00 0.02 0.02) = 0.054% HB VAL 41 - HG2 PRO 58 8.333% * 0.0436% (0.44 1.0 1.00 0.02 0.02) = 0.044% QB LYS+ 66 - HG3 PRO 52 8.333% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB LYS+ 66 - HG2 PRO 58 8.333% * 0.0222% (0.23 1.0 1.00 0.02 0.02) = 0.022% HG3 PRO 68 - HG3 PRO 52 8.333% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG3 PRO 68 - HG2 PRO 58 8.333% * 0.0131% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 526 (2.32, 2.08, 28.73 ppm): 12 chemical-shift based assignments, quality = 0.987, support = 5.23, residual support = 193.2: * O T HG2 PRO 52 - HG3 PRO 52 8.333% * 98.7138% (1.00 10.0 10.00 5.30 195.71) = 98.714% kept T HG2 PRO 52 - HG2 PRO 58 8.333% * 0.7992% (0.81 1.0 10.00 0.02 0.02) = 0.799% HG3 GLU- 25 - HG3 PRO 52 8.333% * 0.0871% (0.88 1.0 1.00 0.02 0.02) = 0.087% HG3 GLU- 25 - HG2 PRO 58 8.333% * 0.0705% (0.71 1.0 1.00 0.02 0.02) = 0.071% HB2 GLU- 79 - HG3 PRO 52 8.333% * 0.0599% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 GLU- 79 - HG2 PRO 58 8.333% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG GLU- 114 - HG3 PRO 52 8.333% * 0.0480% (0.49 1.0 1.00 0.02 0.02) = 0.048% QG GLU- 114 - HG2 PRO 58 8.333% * 0.0389% (0.39 1.0 1.00 0.02 0.02) = 0.039% HG2 MET 92 - HG3 PRO 52 8.333% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HG3 PRO 52 8.333% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 36 - HG2 PRO 58 8.333% * 0.0300% (0.30 1.0 1.00 0.02 0.02) = 0.030% HG2 MET 92 - HG2 PRO 58 8.333% * 0.0300% (0.30 1.0 1.00 0.02 0.02) = 0.030% 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): 14 chemical-shift based assignments, quality = 0.987, support = 5.83, residual support = 193.1: * O T HD2 PRO 52 - HG3 PRO 52 7.143% * 98.6870% (1.00 10.0 10.00 5.91 195.71) = 98.687% kept T HD2 PRO 52 - HG2 PRO 58 7.143% * 0.7989% (0.81 1.0 10.00 0.02 0.02) = 0.799% HA GLN 32 - HG3 PRO 52 7.143% * 0.0871% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA ALA 88 - HG3 PRO 52 7.143% * 0.0824% (0.84 1.0 1.00 0.02 0.02) = 0.082% HA GLN 32 - HG2 PRO 58 7.143% * 0.0705% (0.71 1.0 1.00 0.02 0.98) = 0.071% HA ALA 88 - HG2 PRO 58 7.143% * 0.0667% (0.68 1.0 1.00 0.02 0.02) = 0.067% HA SER 48 - HG3 PRO 52 7.143% * 0.0480% (0.49 1.0 1.00 0.02 0.02) = 0.048% HA SER 48 - HG2 PRO 58 7.143% * 0.0389% (0.39 1.0 1.00 0.02 0.02) = 0.039% HA LYS+ 65 - HG3 PRO 52 7.143% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HA LYS+ 65 - HG2 PRO 58 7.143% * 0.0222% (0.23 1.0 1.00 0.02 0.02) = 0.022% QB SER 85 - HG3 PRO 52 7.143% * 0.0195% (0.20 1.0 1.00 0.02 0.15) = 0.020% HA2 GLY 16 - HG3 PRO 52 7.143% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA2 GLY 16 - HG2 PRO 58 7.143% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB SER 85 - HG2 PRO 58 7.143% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 5 chemical-shift based assignments, quality = 0.955, support = 2.95, residual support = 37.8: * O T HB2 CYS 53 - HA CYS 53 20.000% * 92.7563% (1.00 10.0 10.00 2.96 38.40) = 92.756% kept HD3 PRO 52 - HA CYS 53 20.000% * 6.4608% (0.43 1.0 1.00 3.24 34.32) = 6.461% kept HA VAL 83 - HA CYS 53 20.000% * 0.7104% (0.16 1.0 1.00 0.93 2.19) = 0.710% HA GLN 30 - HA CYS 53 20.000% * 0.0507% (0.55 1.0 1.00 0.02 0.02) = 0.051% HD2 PRO 58 - HA CYS 53 20.000% * 0.0219% (0.24 1.0 1.00 0.02 0.02) = 0.022% Peak 531 (3.34, 4.17, 63.73 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 3.36, residual support = 35.7: * O T HB3 CYS 53 - HA CYS 53 16.667% * 81.6897% (1.00 10.0 10.00 3.30 38.40) = 81.690% kept HD2 ARG+ 54 - HA CYS 53 16.667% * 16.0899% (0.98 1.0 1.00 4.02 27.19) = 16.090% kept QB PHE 55 - HA CYS 53 16.667% * 2.0536% (0.73 1.0 1.00 0.69 0.20) = 2.054% kept HD3 PRO 93 - HA CYS 53 16.667% * 0.0721% (0.88 1.0 1.00 0.02 0.02) = 0.072% HD3 PRO 68 - HA CYS 53 16.667% * 0.0682% (0.84 1.0 1.00 0.02 0.02) = 0.068% HB2 PHE 59 - HA CYS 53 16.667% * 0.0265% (0.32 1.0 1.00 0.02 0.02) = 0.027% Peak 532 (4.17, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 2.95, residual support = 38.3: * O T HA CYS 53 - HB2 CYS 53 25.000% * 99.8592% (1.00 10.0 10.00 2.96 38.40) = 99.859% kept HA ILE 19 - HB2 CYS 53 25.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% HA GLU- 25 - HB2 CYS 53 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA THR 26 - HB2 CYS 53 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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 = 0.989, support = 3.46, residual support = 35.8: * O T HB3 CYS 53 - HB2 CYS 53 16.667% * 81.2929% (1.00 10.0 10.00 3.37 38.40) = 81.293% kept HD2 ARG+ 54 - HB2 CYS 53 16.667% * 16.8067% (0.98 1.0 1.00 4.22 27.19) = 16.807% kept QB PHE 55 - HB2 CYS 53 16.667% * 1.4939% (0.73 1.0 1.00 0.51 0.20) = 1.494% kept HD3 PRO 68 - HB2 CYS 53 16.667% * 0.3084% (0.84 1.0 1.00 0.09 0.02) = 0.308% HD3 PRO 93 - HB2 CYS 53 16.667% * 0.0717% (0.88 1.0 1.00 0.02 0.02) = 0.072% HB2 PHE 59 - HB2 CYS 53 16.667% * 0.0264% (0.32 1.0 1.00 0.02 0.02) = 0.026% Peak 535 (4.17, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.3, residual support = 38.3: * O T HA CYS 53 - HB3 CYS 53 25.000% * 99.8592% (1.00 10.0 10.00 3.30 38.40) = 99.859% kept HA ILE 19 - HB3 CYS 53 25.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% HA GLU- 25 - HB3 CYS 53 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA THR 26 - HB3 CYS 53 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 536 (3.83, 3.34, 34.62 ppm): 5 chemical-shift based assignments, quality = 0.954, support = 3.41, residual support = 38.0: * O T HB2 CYS 53 - HB3 CYS 53 20.000% * 92.0492% (1.00 10.0 10.00 3.37 38.40) = 92.049% kept HD3 PRO 52 - HB3 CYS 53 20.000% * 7.8637% (0.43 1.0 1.00 3.98 34.32) = 7.864% kept HA GLN 30 - HB3 CYS 53 20.000% * 0.0503% (0.55 1.0 1.00 0.02 0.02) = 0.050% HD2 PRO 58 - HB3 CYS 53 20.000% * 0.0217% (0.24 1.0 1.00 0.02 0.02) = 0.022% HA VAL 83 - HB3 CYS 53 20.000% * 0.0151% (0.16 1.0 1.00 0.02 2.19) = 0.015% 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 (0.05) kept Peak 539 (2.05, 4.11, 59.18 ppm): 14 chemical-shift based assignments, quality = 0.983, support = 4.26, residual support = 113.5: * O T HB2 ARG+ 54 - HA ARG+ 54 7.143% * 97.8206% (1.00 10.0 10.00 4.34 116.05) = 97.821% kept HG3 GLN 30 - HA ARG+ 54 7.143% * 1.5849% (0.28 1.0 1.00 1.17 0.97) = 1.585% kept T HB2 ARG+ 54 - HA LEU 115 7.143% * 0.1611% (0.16 1.0 10.00 0.02 1.89) = 0.161% HB VAL 108 - HA ARG+ 54 7.143% * 0.0959% (0.98 1.0 1.00 0.02 0.02) = 0.096% HB ILE 119 - HA ARG+ 54 7.143% * 0.0710% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB2 PRO 93 - HA ARG+ 54 7.143% * 0.0710% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB2 GLN 30 - HA ARG+ 54 7.143% * 0.0710% (0.73 1.0 1.00 0.02 0.97) = 0.071% HB3 GLU- 100 - HA ARG+ 54 7.143% * 0.0593% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB VAL 108 - HA LEU 115 7.143% * 0.0158% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 GLN 30 - HA LEU 115 7.143% * 0.0117% (0.12 1.0 1.00 0.02 0.43) = 0.012% HB2 PRO 93 - HA LEU 115 7.143% * 0.0117% (0.12 1.0 1.00 0.02 0.02) = 0.012% HB ILE 119 - HA LEU 115 7.143% * 0.0117% (0.12 1.0 1.00 0.02 0.70) = 0.012% HB3 GLU- 100 - HA LEU 115 7.143% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG3 GLN 30 - HA LEU 115 7.143% * 0.0045% (0.05 1.0 1.00 0.02 0.43) = 0.004% Peak 540 (1.86, 4.11, 59.18 ppm): 18 chemical-shift based assignments, quality = 0.98, support = 3.13, residual support = 85.0: * O T HG2 ARG+ 54 - HA ARG+ 54 5.556% * 73.0723% (1.00 10.0 10.00 4.08 116.05) = 73.072% kept T HG3 PRO 68 - HA ARG+ 54 5.556% * 22.8650% (0.98 1.0 10.00 0.64 0.97) = 22.865% kept T QB LYS+ 81 - HA ARG+ 54 5.556% * 3.4284% (0.73 1.0 10.00 0.13 0.02) = 3.428% kept T HG2 ARG+ 54 - HA LEU 115 5.556% * 0.1204% (0.16 1.0 10.00 0.02 1.89) = 0.120% T HG3 PRO 68 - HA LEU 115 5.556% * 0.1180% (0.16 1.0 10.00 0.02 0.02) = 0.118% HB3 ASP- 105 - HA ARG+ 54 5.556% * 0.0727% (1.00 1.0 1.00 0.02 0.02) = 0.073% HB ILE 103 - HA ARG+ 54 5.556% * 0.0727% (1.00 1.0 1.00 0.02 0.02) = 0.073% QB LYS+ 33 - HA ARG+ 54 5.556% * 0.0675% (0.92 1.0 1.00 0.02 0.67) = 0.067% HB3 GLN 90 - HA ARG+ 54 5.556% * 0.0610% (0.84 1.0 1.00 0.02 0.02) = 0.061% QB LYS+ 106 - HA ARG+ 54 5.556% * 0.0487% (0.67 1.0 1.00 0.02 0.02) = 0.049% HB3 ASP- 105 - HA LEU 115 5.556% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% HB ILE 103 - HA LEU 115 5.556% * 0.0120% (0.16 1.0 1.00 0.02 0.02) = 0.012% QB LYS+ 33 - HA LEU 115 5.556% * 0.0111% (0.15 1.0 1.00 0.02 0.02) = 0.011% HB3 GLN 90 - HA LEU 115 5.556% * 0.0101% (0.14 1.0 1.00 0.02 0.02) = 0.010% HB ILE 56 - HA ARG+ 54 5.556% * 0.0099% (0.14 1.0 1.00 0.02 0.42) = 0.010% QB LYS+ 81 - HA LEU 115 5.556% * 0.0087% (0.12 1.0 1.00 0.02 0.02) = 0.009% QB LYS+ 106 - HA LEU 115 5.556% * 0.0080% (0.11 1.0 1.00 0.02 0.02) = 0.008% HB ILE 56 - HA LEU 115 5.556% * 0.0016% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 541 (3.34, 4.11, 59.18 ppm): 12 chemical-shift based assignments, quality = 0.959, support = 4.36, residual support = 93.5: * T HD2 ARG+ 54 - HA ARG+ 54 8.333% * 76.8840% (1.00 10.00 4.60 116.05) = 76.884% kept HB3 CYS 53 - HA ARG+ 54 8.333% * 14.5156% (0.98 1.00 3.85 27.19) = 14.516% kept QB PHE 55 - HA ARG+ 54 8.333% * 7.9377% (0.61 1.00 3.40 4.02) = 7.938% kept HD3 PRO 68 - HA ARG+ 54 8.333% * 0.4156% (0.73 1.00 0.15 0.97) = 0.416% T HD2 ARG+ 54 - HA LEU 115 8.333% * 0.1266% (0.16 10.00 0.02 1.89) = 0.127% HD3 PRO 93 - HA ARG+ 54 8.333% * 0.0602% (0.78 1.00 0.02 0.02) = 0.060% HB2 PHE 59 - HA ARG+ 54 8.333% * 0.0181% (0.24 1.00 0.02 0.02) = 0.018% HB3 CYS 53 - HA LEU 115 8.333% * 0.0124% (0.16 1.00 0.02 0.02) = 0.012% HD3 PRO 93 - HA LEU 115 8.333% * 0.0099% (0.13 1.00 0.02 0.02) = 0.010% HD3 PRO 68 - HA LEU 115 8.333% * 0.0092% (0.12 1.00 0.02 0.02) = 0.009% QB PHE 55 - HA LEU 115 8.333% * 0.0077% (0.10 1.00 0.02 1.99) = 0.008% HB2 PHE 59 - HA LEU 115 8.333% * 0.0030% (0.04 1.00 0.02 11.88) = 0.003% Peak 542 (4.11, 2.05, 30.44 ppm): 7 chemical-shift based assignments, quality = 0.988, support = 4.27, residual support = 114.2: * O T HA ARG+ 54 - HB2 ARG+ 54 14.286% * 98.4340% (1.00 10.0 10.00 4.34 116.05) = 98.434% kept HA ASN 28 - HB2 ARG+ 54 14.286% * 1.0759% (0.38 1.0 1.00 0.58 0.02) = 1.076% kept T HA LEU 115 - HB2 ARG+ 54 14.286% * 0.3196% (0.32 1.0 10.00 0.02 1.89) = 0.320% HA ALA 124 - HB2 ARG+ 54 14.286% * 0.0941% (0.96 1.0 1.00 0.02 0.02) = 0.094% HA LYS+ 81 - HB2 ARG+ 54 14.286% * 0.0369% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA GLU- 36 - HB2 ARG+ 54 14.286% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA ALA 34 - HB2 ARG+ 54 14.286% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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 = 4.44, residual support = 96.3: * O T HD2 ARG+ 54 - HB2 ARG+ 54 16.667% * 79.5388% (1.00 10.0 10.00 4.82 116.05) = 79.539% kept HB3 CYS 53 - HB2 ARG+ 54 16.667% * 13.6961% (0.98 1.0 1.00 3.51 27.19) = 13.696% kept QB PHE 55 - HB2 ARG+ 54 16.667% * 5.5463% (0.61 1.0 1.00 2.30 4.02) = 5.546% kept T HD3 PRO 93 - HB2 ARG+ 54 16.667% * 0.6226% (0.78 1.0 10.00 0.02 0.02) = 0.623% T HD3 PRO 68 - HB2 ARG+ 54 16.667% * 0.5776% (0.73 1.0 10.00 0.02 0.97) = 0.578% HB2 PHE 59 - HB2 ARG+ 54 16.667% * 0.0188% (0.24 1.0 1.00 0.02 0.02) = 0.019% Peak 550 (4.11, 3.34, 43.59 ppm): 7 chemical-shift based assignments, quality = 0.987, support = 4.54, residual support = 114.5: * T HA ARG+ 54 - HD2 ARG+ 54 14.286% * 98.7039% (1.00 10.00 4.60 116.05) = 98.704% kept HA ASN 28 - HD2 ARG+ 54 14.286% * 0.8047% (0.38 1.00 0.43 0.02) = 0.805% T HA LEU 115 - HD2 ARG+ 54 14.286% * 0.3204% (0.32 10.00 0.02 1.89) = 0.320% HA ALA 124 - HD2 ARG+ 54 14.286% * 0.0944% (0.96 1.00 0.02 0.02) = 0.094% HA LYS+ 81 - HD2 ARG+ 54 14.286% * 0.0370% (0.38 1.00 0.02 0.02) = 0.037% HA GLU- 36 - HD2 ARG+ 54 14.286% * 0.0233% (0.24 1.00 0.02 0.02) = 0.023% HA ALA 34 - HD2 ARG+ 54 14.286% * 0.0162% (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 = 0.99, support = 4.77, residual support = 114.8: * O T HB2 ARG+ 54 - HD2 ARG+ 54 14.286% * 98.9532% (1.00 10.0 10.00 4.82 116.05) = 98.953% kept T HB2 PRO 93 - HD2 ARG+ 54 14.286% * 0.7185% (0.73 1.0 10.00 0.02 0.02) = 0.719% HB VAL 108 - HD2 ARG+ 54 14.286% * 0.0970% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 30 - HD2 ARG+ 54 14.286% * 0.0719% (0.73 1.0 1.00 0.02 0.97) = 0.072% HB ILE 119 - HD2 ARG+ 54 14.286% * 0.0719% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 GLU- 100 - HD2 ARG+ 54 14.286% * 0.0600% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG3 GLN 30 - HD2 ARG+ 54 14.286% * 0.0275% (0.28 1.0 1.00 0.02 0.97) = 0.028% Peak 552 (1.86, 3.34, 43.59 ppm): 9 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 105.3: * O T HG2 ARG+ 54 - HD2 ARG+ 54 11.111% * 90.6663% (1.00 10.0 10.00 4.96 116.05) = 90.666% kept T HG3 PRO 68 - HD2 ARG+ 54 11.111% * 7.7204% (0.98 1.0 10.00 0.17 0.97) = 7.720% kept QB LYS+ 81 - HD2 ARG+ 54 11.111% * 1.2006% (0.73 1.0 1.00 0.36 0.02) = 1.201% kept HB3 ASP- 105 - HD2 ARG+ 54 11.111% * 0.0902% (1.00 1.0 1.00 0.02 0.02) = 0.090% HB ILE 103 - HD2 ARG+ 54 11.111% * 0.0902% (1.00 1.0 1.00 0.02 0.02) = 0.090% QB LYS+ 33 - HD2 ARG+ 54 11.111% * 0.0837% (0.92 1.0 1.00 0.02 0.67) = 0.084% HB3 GLN 90 - HD2 ARG+ 54 11.111% * 0.0757% (0.84 1.0 1.00 0.02 0.02) = 0.076% QB LYS+ 106 - HD2 ARG+ 54 11.111% * 0.0605% (0.67 1.0 1.00 0.02 0.02) = 0.060% HB ILE 56 - HD2 ARG+ 54 11.111% * 0.0123% (0.14 1.0 1.00 0.02 0.42) = 0.012% 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 (0.03) kept Peak 555 (3.33, 4.45, 60.13 ppm): 12 chemical-shift based assignments, quality = 0.943, support = 3.47, residual support = 12.1: * O T QB PHE 55 - HA PHE 55 8.333% * 85.5539% (1.00 10.0 10.00 3.51 13.64) = 85.554% kept HD2 ARG+ 54 - HA PHE 55 8.333% * 10.7509% (0.61 1.0 1.00 4.14 4.02) = 10.751% kept HB3 CYS 53 - HA PHE 55 8.333% * 3.0010% (0.73 1.0 1.00 0.97 0.20) = 3.001% kept HD3 PRO 93 - HA PHE 55 8.333% * 0.4044% (0.96 1.0 1.00 0.10 0.02) = 0.404% T QB PHE 55 - HA VAL 42 8.333% * 0.0989% (0.12 1.0 10.00 0.02 0.02) = 0.099% HD3 PRO 68 - HA PHE 55 8.333% * 0.0839% (0.98 1.0 1.00 0.02 0.02) = 0.084% HB2 PHE 59 - HA PHE 55 8.333% * 0.0670% (0.78 1.0 1.00 0.02 0.02) = 0.067% HD3 PRO 68 - HA VAL 42 8.333% * 0.0097% (0.11 1.0 1.00 0.02 0.02) = 0.010% HD3 PRO 93 - HA VAL 42 8.333% * 0.0095% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB2 PHE 59 - HA VAL 42 8.333% * 0.0077% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB3 CYS 53 - HA VAL 42 8.333% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% HD2 ARG+ 54 - HA VAL 42 8.333% * 0.0060% (0.07 1.0 1.00 0.02 0.02) = 0.006% Peak 556 (4.45, 3.33, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 3.38, residual support = 13.1: * O T HA PHE 55 - QB PHE 55 25.000% * 95.7764% (1.00 10.0 10.00 3.51 13.64) = 95.776% kept HA ALA 110 - QB PHE 55 25.000% * 2.0399% (0.73 1.0 1.00 0.59 0.46) = 2.040% kept HA GLN 90 - QB PHE 55 25.000% * 1.9174% (0.88 1.0 1.00 0.45 0.02) = 1.917% kept T HA VAL 42 - QB PHE 55 25.000% * 0.2663% (0.28 1.0 10.00 0.02 0.02) = 0.266% 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): 11 chemical-shift based assignments, quality = 0.978, support = 3.86, residual support = 77.9: * O T HB ILE 56 - HA ILE 56 9.091% * 97.4582% (1.00 10.0 10.00 3.94 79.89) = 97.458% kept HB3 PRO 58 - HA ILE 56 9.091% * 1.6644% (0.20 1.0 1.00 1.73 0.14) = 1.664% kept HB3 GLN 30 - HA ILE 56 9.091% * 0.5520% (0.67 1.0 1.00 0.17 1.05) = 0.552% HB3 LYS+ 38 - HA ILE 56 9.091% * 0.0900% (0.92 1.0 1.00 0.02 0.02) = 0.090% QB LYS+ 106 - HA ILE 56 9.091% * 0.0532% (0.55 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 81 - HA ILE 56 9.091% * 0.0474% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB2 MET 92 - HA ILE 56 9.091% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 90 - HA ILE 56 9.091% * 0.0366% (0.38 1.0 1.00 0.02 0.91) = 0.037% QB LYS+ 33 - HA ILE 56 9.091% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 ASP- 105 - HA ILE 56 9.091% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 54 - HA ILE 56 9.091% * 0.0132% (0.14 1.0 1.00 0.02 0.42) = 0.013% Peak 560 (1.27, 4.38, 60.23 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 4.49, residual support = 77.3: * O QG2 ILE 56 - HA ILE 56 16.667% * 96.7359% (1.00 10.0 4.63 79.89) = 96.736% kept HG3 LYS+ 38 - HA ILE 56 16.667% * 1.4907% (0.88 1.0 0.35 0.02) = 1.491% kept QG2 THR 39 - HA ILE 56 16.667% * 1.2267% (0.49 1.0 0.52 0.02) = 1.227% kept QB ALA 34 - HA ILE 56 16.667% * 0.4633% (0.88 1.0 0.11 0.02) = 0.463% QB ALA 91 - HA ILE 56 16.667% * 0.0471% (0.49 1.0 0.02 0.02) = 0.047% QG2 THR 23 - HA ILE 56 16.667% * 0.0363% (0.38 1.0 0.02 0.02) = 0.036% Peak 561 (1.72, 4.38, 60.23 ppm): 5 chemical-shift based assignments, quality = 0.986, support = 3.77, residual support = 78.8: * O T QG1 ILE 56 - HA ILE 56 20.000% * 98.5929% (1.00 10.0 10.00 3.83 79.89) = 98.593% kept T HB3 LYS+ 99 - HA ILE 56 20.000% * 0.9425% (0.96 1.0 10.00 0.02 0.02) = 0.943% T QD LYS+ 99 - HA ILE 56 20.000% * 0.2324% (0.24 1.0 10.00 0.02 0.02) = 0.232% T QD LYS+ 106 - HA ILE 56 20.000% * 0.1951% (0.20 1.0 10.00 0.02 0.02) = 0.195% HB ILE 89 - HA ILE 56 20.000% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 563 (4.38, 1.88, 41.57 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.92, residual support = 79.6: * O T HA ILE 56 - HB ILE 56 16.667% * 99.6667% (1.00 10.0 10.00 3.94 79.89) = 99.667% kept HA ASN 35 - HB ILE 56 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA LEU 123 - HB ILE 56 16.667% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 99 - HB ILE 56 16.667% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ASP- 113 - HB ILE 56 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA LEU 40 - HB ILE 56 16.667% * 0.0135% (0.14 1.0 1.00 0.02 0.82) = 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): 6 chemical-shift based assignments, quality = 0.991, support = 4.57, residual support = 74.6: * O T QG2 ILE 56 - HB ILE 56 16.667% * 93.3836% (1.00 10.0 10.00 4.88 79.89) = 93.384% kept T HG3 LYS+ 38 - HB ILE 56 16.667% * 4.5508% (0.88 1.0 10.00 0.11 0.02) = 4.551% kept QB ALA 34 - HB ILE 56 16.667% * 1.9397% (0.88 1.0 1.00 0.47 0.02) = 1.940% kept QB ALA 91 - HB ILE 56 16.667% * 0.0455% (0.49 1.0 1.00 0.02 0.02) = 0.045% QG2 THR 39 - HB ILE 56 16.667% * 0.0455% (0.49 1.0 1.00 0.02 0.02) = 0.045% QG2 THR 23 - HB ILE 56 16.667% * 0.0350% (0.38 1.0 1.00 0.02 0.02) = 0.035% Peak 566 (1.72, 1.88, 41.57 ppm): 5 chemical-shift based assignments, quality = 0.994, support = 4.34, residual support = 79.4: * O T QG1 ILE 56 - HB ILE 56 20.000% * 99.4364% (1.00 10.0 10.00 4.37 79.89) = 99.436% kept T QD LYS+ 99 - HB ILE 56 20.000% * 0.2344% (0.24 1.0 10.00 0.02 0.02) = 0.234% T QD LYS+ 106 - HB ILE 56 20.000% * 0.1968% (0.20 1.0 10.00 0.02 0.02) = 0.197% HB3 LYS+ 99 - HB ILE 56 20.000% * 0.0951% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB ILE 89 - HB ILE 56 20.000% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 569 (1.88, 1.27, 17.92 ppm): 11 chemical-shift based assignments, quality = 0.972, support = 4.69, residual support = 76.4: * O T HB ILE 56 - QG2 ILE 56 9.091% * 95.6561% (1.00 10.0 10.00 4.88 79.89) = 95.656% kept HB3 GLN 30 - QG2 ILE 56 9.091% * 2.3635% (0.67 1.0 1.00 0.74 1.05) = 2.364% kept HB3 GLN 90 - QG2 ILE 56 9.091% * 0.8833% (0.38 1.0 1.00 0.49 0.91) = 0.883% T HB3 LYS+ 38 - QG2 ILE 56 9.091% * 0.8830% (0.92 1.0 10.00 0.02 0.02) = 0.883% QB LYS+ 106 - QG2 ILE 56 9.091% * 0.0522% (0.55 1.0 1.00 0.02 0.02) = 0.052% QB LYS+ 81 - QG2 ILE 56 9.091% * 0.0466% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB2 MET 92 - QG2 ILE 56 9.091% * 0.0411% (0.43 1.0 1.00 0.02 0.02) = 0.041% QB LYS+ 33 - QG2 ILE 56 9.091% * 0.0266% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 58 - QG2 ILE 56 9.091% * 0.0189% (0.20 1.0 1.00 0.02 0.14) = 0.019% HB3 ASP- 105 - QG2 ILE 56 9.091% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 54 - QG2 ILE 56 9.091% * 0.0129% (0.14 1.0 1.00 0.02 0.42) = 0.013% 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): 5 chemical-shift based assignments, quality = 0.998, support = 4.82, residual support = 79.8: * O T QG1 ILE 56 - QG2 ILE 56 20.000% * 99.8238% (1.00 10.0 10.00 4.83 79.89) = 99.824% kept HB3 LYS+ 99 - QG2 ILE 56 20.000% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB ILE 89 - QG2 ILE 56 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% QD LYS+ 99 - QG2 ILE 56 20.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% QD LYS+ 106 - QG2 ILE 56 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 573 (4.38, 1.72, 31.79 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 3.79, residual support = 79.0: * O T HA ILE 56 - QG1 ILE 56 16.667% * 98.8839% (1.00 10.0 10.00 3.83 79.89) = 98.884% kept T HA LYS+ 99 - QG1 ILE 56 16.667% * 0.8726% (0.88 1.0 10.00 0.02 0.02) = 0.873% HA ASN 35 - QG1 ILE 56 16.667% * 0.0984% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA LEU 123 - QG1 ILE 56 16.667% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ASP- 113 - QG1 ILE 56 16.667% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA LEU 40 - QG1 ILE 56 16.667% * 0.0134% (0.14 1.0 1.00 0.02 0.82) = 0.013% Peak 574 (1.88, 1.72, 31.79 ppm): 11 chemical-shift based assignments, quality = 0.984, support = 4.24, residual support = 77.3: * O T HB ILE 56 - QG1 ILE 56 9.091% * 96.7621% (1.00 10.0 10.00 4.37 79.89) = 96.762% kept HB3 GLN 30 - QG1 ILE 56 9.091% * 2.4202% (0.67 1.0 1.00 0.75 1.05) = 2.420% kept T QB LYS+ 106 - QG1 ILE 56 9.091% * 0.5284% (0.55 1.0 10.00 0.02 0.02) = 0.528% HB3 LYS+ 38 - QG1 ILE 56 9.091% * 0.0893% (0.92 1.0 1.00 0.02 0.02) = 0.089% QB LYS+ 81 - QG1 ILE 56 9.091% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB2 MET 92 - QG1 ILE 56 9.091% * 0.0416% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB3 GLN 90 - QG1 ILE 56 9.091% * 0.0363% (0.38 1.0 1.00 0.02 0.91) = 0.036% QB LYS+ 33 - QG1 ILE 56 9.091% * 0.0269% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB3 PRO 58 - QG1 ILE 56 9.091% * 0.0191% (0.20 1.0 1.00 0.02 0.14) = 0.019% HB3 ASP- 105 - QG1 ILE 56 9.091% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG2 ARG+ 54 - QG1 ILE 56 9.091% * 0.0131% (0.14 1.0 1.00 0.02 0.42) = 0.013% Peak 575 (1.27, 1.72, 31.79 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 4.71, residual support = 77.8: * O T QG2 ILE 56 - QG1 ILE 56 16.667% * 97.3272% (1.00 10.0 10.00 4.83 79.89) = 97.327% kept QB ALA 34 - QG1 ILE 56 16.667% * 2.0673% (0.88 1.0 1.00 0.48 0.02) = 2.067% kept HG3 LYS+ 38 - QG1 ILE 56 16.667% * 0.4743% (0.88 1.0 1.00 0.11 0.02) = 0.474% QB ALA 91 - QG1 ILE 56 16.667% * 0.0474% (0.49 1.0 1.00 0.02 0.02) = 0.047% QG2 THR 39 - QG1 ILE 56 16.667% * 0.0474% (0.49 1.0 1.00 0.02 0.02) = 0.047% QG2 THR 23 - QG1 ILE 56 16.667% * 0.0365% (0.38 1.0 1.00 0.02 0.02) = 0.037% 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): 7 chemical-shift based assignments, quality = 0.879, support = 6.5, residual support = 136.9: * O T HA PRO 58 - HD2 PRO 58 14.286% * 99.6304% (0.88 10.0 10.00 6.53 137.38) = 99.630% kept HA SER 13 - HD2 PRO 58 14.286% * 0.0991% (0.88 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 15 - HD2 PRO 58 14.286% * 0.0991% (0.88 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HD2 PRO 58 14.286% * 0.0920% (0.81 1.0 1.00 0.02 0.02) = 0.092% HA THR 46 - HD2 PRO 58 14.286% * 0.0323% (0.29 1.0 1.00 0.02 0.02) = 0.032% HA GLN 17 - HD2 PRO 58 14.286% * 0.0235% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA SER 37 - HD2 PRO 58 14.286% * 0.0235% (0.21 1.0 1.00 0.02 0.02) = 0.023% Peak 584 (2.35, 3.81, 50.93 ppm): 4 chemical-shift based assignments, quality = 0.851, support = 6.36, residual support = 131.5: * O T HB2 PRO 58 - HD2 PRO 58 25.000% * 95.7185% (0.88 10.0 10.00 6.62 137.38) = 95.718% kept T HB2 GLU- 100 - HD2 PRO 58 25.000% * 4.2083% (0.15 1.0 10.00 0.53 0.02) = 4.208% kept HB3 PHE 97 - HD2 PRO 58 25.000% * 0.0466% (0.43 1.0 1.00 0.02 0.02) = 0.047% HB2 GLN 116 - HD2 PRO 58 25.000% * 0.0266% (0.25 1.0 1.00 0.02 0.02) = 0.027% Peak 585 (1.89, 3.81, 50.93 ppm): 5 chemical-shift based assignments, quality = 0.586, support = 6.83, residual support = 133.6: * O T HB3 PRO 58 - HD2 PRO 58 20.000% * 97.2293% (0.59 10.0 10.00 7.02 137.38) = 97.229% kept HB ILE 56 - HD2 PRO 58 20.000% * 2.3617% (0.59 1.0 1.00 0.49 0.14) = 2.362% kept HB3 GLN 30 - HD2 PRO 58 20.000% * 0.1458% (0.88 1.0 1.00 0.02 0.02) = 0.146% HB2 MET 92 - HD2 PRO 58 20.000% * 0.1346% (0.81 1.0 1.00 0.02 0.02) = 0.135% HB3 LYS+ 38 - HD2 PRO 58 20.000% * 0.1286% (0.78 1.0 1.00 0.02 0.02) = 0.129% Peak 586 (2.08, 3.81, 50.93 ppm): 4 chemical-shift based assignments, quality = 0.872, support = 6.33, residual support = 135.8: * O T HG2 PRO 58 - HD2 PRO 58 25.000% * 98.8205% (0.88 10.0 10.00 6.41 137.38) = 98.820% kept T HG3 PRO 52 - HD2 PRO 58 25.000% * 0.9882% (0.88 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HD2 PRO 58 25.000% * 0.0969% (0.87 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HD2 PRO 58 25.000% * 0.0945% (0.84 1.0 1.00 0.02 0.02) = 0.094% Peak 587 (3.81, 3.81, 50.93 ppm): 1 diagonal assignment: * HD2 PRO 58 - HD2 PRO 58 (0.78) 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): 4 chemical-shift based assignments, quality = 0.999, support = 5.18, residual support = 137.3: * O T HB2 PRO 58 - HA PRO 58 25.000% * 99.9072% (1.00 10.0 10.00 5.19 137.38) = 99.907% kept HB3 PHE 97 - HA PRO 58 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB2 GLN 116 - HA PRO 58 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLU- 100 - HA PRO 58 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 590 (1.89, 4.41, 66.06 ppm): 5 chemical-shift based assignments, quality = 0.664, support = 6.13, residual support = 133.5: * O T HB3 PRO 58 - HA PRO 58 20.000% * 97.1906% (0.67 10.0 10.00 6.30 137.38) = 97.191% kept HB ILE 56 - HA PRO 58 20.000% * 2.4005% (0.67 1.0 1.00 0.49 0.14) = 2.401% kept HB3 GLN 30 - HA PRO 58 20.000% * 0.1457% (1.00 1.0 1.00 0.02 0.02) = 0.146% HB2 MET 92 - HA PRO 58 20.000% * 0.1345% (0.92 1.0 1.00 0.02 0.02) = 0.135% HB3 LYS+ 38 - HA PRO 58 20.000% * 0.1286% (0.88 1.0 1.00 0.02 0.02) = 0.129% Peak 591 (2.08, 4.41, 66.06 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.88, residual support = 135.8: * O T HG2 PRO 58 - HA PRO 58 25.000% * 98.8205% (1.00 10.0 10.00 5.95 137.38) = 98.820% kept T HG3 PRO 52 - HA PRO 58 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HA PRO 58 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HA PRO 58 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% Peak 592 (3.81, 4.41, 66.06 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 6.45, residual support = 135.7: * O T HD2 PRO 58 - HA PRO 58 33.333% * 98.7956% (0.88 10.0 10.00 6.53 137.38) = 98.796% kept T HA GLU- 100 - HA PRO 58 33.333% * 1.0973% (0.98 1.0 10.00 0.02 0.02) = 1.097% kept HA VAL 83 - HA PRO 58 33.333% * 0.1070% (0.96 1.0 1.00 0.02 0.02) = 0.107% Peak 593 (4.41, 2.35, 31.07 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.17, residual support = 136.9: * O T HA PRO 58 - HB2 PRO 58 14.286% * 99.6304% (1.00 10.0 10.00 5.19 137.38) = 99.630% kept HA SER 13 - HB2 PRO 58 14.286% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 15 - HB2 PRO 58 14.286% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HB2 PRO 58 14.286% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA THR 46 - HB2 PRO 58 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA GLN 17 - HB2 PRO 58 14.286% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA SER 37 - HB2 PRO 58 14.286% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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): 5 chemical-shift based assignments, quality = 0.664, support = 4.52, residual support = 136.7: * O T HB3 PRO 58 - HB2 PRO 58 20.000% * 99.4821% (0.67 10.0 10.00 4.54 137.38) = 99.482% kept HB3 GLN 30 - HB2 PRO 58 20.000% * 0.1492% (1.00 1.0 1.00 0.02 0.02) = 0.149% HB2 MET 92 - HB2 PRO 58 20.000% * 0.1377% (0.92 1.0 1.00 0.02 0.02) = 0.138% HB3 LYS+ 38 - HB2 PRO 58 20.000% * 0.1316% (0.88 1.0 1.00 0.02 0.02) = 0.132% HB ILE 56 - HB2 PRO 58 20.000% * 0.0995% (0.67 1.0 1.00 0.02 0.14) = 0.099% Peak 596 (2.08, 2.35, 31.07 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 4.17, residual support = 135.8: * O T HG2 PRO 58 - HB2 PRO 58 25.000% * 98.8205% (1.00 10.0 10.00 4.22 137.38) = 98.820% kept T HG3 PRO 52 - HB2 PRO 58 25.000% * 0.9882% (1.00 1.0 10.00 0.02 0.02) = 0.988% HB2 GLU- 14 - HB2 PRO 58 25.000% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG2 MET 11 - HB2 PRO 58 25.000% * 0.0945% (0.96 1.0 1.00 0.02 0.02) = 0.094% Peak 597 (3.81, 2.35, 31.07 ppm): 3 chemical-shift based assignments, quality = 0.883, support = 6.54, residual support = 135.7: * O T HD2 PRO 58 - HB2 PRO 58 33.333% * 98.7956% (0.88 10.0 10.00 6.62 137.38) = 98.796% kept T HA GLU- 100 - HB2 PRO 58 33.333% * 1.0973% (0.98 1.0 10.00 0.02 0.02) = 1.097% kept HA VAL 83 - HB2 PRO 58 33.333% * 0.1070% (0.96 1.0 1.00 0.02 0.02) = 0.107% Peak 598 (4.41, 1.89, 31.07 ppm): 7 chemical-shift based assignments, quality = 0.665, support = 6.27, residual support = 136.9: * O T HA PRO 58 - HB3 PRO 58 14.286% * 99.6304% (0.67 10.0 10.00 6.30 137.38) = 99.630% kept HA SER 13 - HB3 PRO 58 14.286% * 0.0991% (0.66 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 15 - HB3 PRO 58 14.286% * 0.0991% (0.66 1.0 1.00 0.02 0.02) = 0.099% HA LEU 40 - HB3 PRO 58 14.286% * 0.0920% (0.62 1.0 1.00 0.02 0.02) = 0.092% HA THR 46 - HB3 PRO 58 14.286% * 0.0323% (0.22 1.0 1.00 0.02 0.02) = 0.032% HA GLN 17 - HB3 PRO 58 14.286% * 0.0235% (0.16 1.0 1.00 0.02 0.02) = 0.023% HA SER 37 - HB3 PRO 58 14.286% * 0.0235% (0.16 1.0 1.00 0.02 0.02) = 0.023% Peak 599 (2.35, 1.89, 31.07 ppm): 4 chemical-shift based assignments, quality = 0.661, support = 4.48, residual support = 135.1: * O T HB2 PRO 58 - HB3 PRO 58 25.000% * 98.3380% (0.67 10.0 10.00 4.54 137.38) = 98.338% kept HB3 PHE 97 - HB3 PRO 58 25.000% * 1.6185% (0.32 1.0 1.00 0.68 0.02) = 1.618% kept HB2 GLN 116 - HB3 PRO 58 25.000% * 0.0273% (0.19 1.0 1.00 0.02 0.02) = 0.027% HB2 GLU- 100 - HB3 PRO 58 25.000% * 0.0162% (0.11 1.0 1.00 0.02 0.02) = 0.016% Peak 600 (1.89, 1.89, 31.07 ppm): 1 diagonal assignment: * HB3 PRO 58 - HB3 PRO 58 (0.44) kept Peak 601 (2.08, 1.89, 31.07 ppm): 4 chemical-shift based assignments, quality = 0.648, support = 4.18, residual support = 133.5: * O T HG2 PRO 58 - HB3 PRO 58 25.000% * 97.1476% (0.67 10.0 10.00 4.30 137.38) = 97.148% kept T HG3 PRO 52 - HB3 PRO 58 25.000% * 0.9715% (0.67 1.0 10.00 0.02 0.02) = 0.971% T HB2 GLU- 14 - HB3 PRO 58 25.000% * 0.9522% (0.65 1.0 10.00 0.02 0.02) = 0.952% T HG2 MET 11 - HB3 PRO 58 25.000% * 0.9287% (0.64 1.0 10.00 0.02 0.02) = 0.929% Peak 602 (3.81, 1.89, 31.07 ppm): 3 chemical-shift based assignments, quality = 0.587, support = 7.0, residual support = 137.1: * O T HD2 PRO 58 - HB3 PRO 58 33.333% * 99.7811% (0.59 10.0 10.00 7.02 137.38) = 99.781% kept HA GLU- 100 - HB3 PRO 58 33.333% * 0.1108% (0.65 1.0 1.00 0.02 0.02) = 0.111% HA VAL 83 - HB3 PRO 58 33.333% * 0.1081% (0.64 1.0 1.00 0.02 0.02) = 0.108% Peak 603 (4.41, 2.08, 28.60 ppm): 14 chemical-shift based assignments, quality = 0.985, support = 5.86, residual support = 135.4: * O T HA PRO 58 - HG2 PRO 58 7.143% * 98.5408% (1.00 10.0 10.00 5.95 137.38) = 98.541% kept T HA PRO 58 - HG3 PRO 52 7.143% * 0.7978% (0.81 1.0 10.00 0.02 0.02) = 0.798% HA GLU- 15 - HG2 PRO 58 7.143% * 0.0980% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA SER 13 - HG2 PRO 58 7.143% * 0.0980% (1.00 1.0 1.00 0.02 0.02) = 0.098% HA LEU 40 - HG2 PRO 58 7.143% * 0.0910% (0.92 1.0 1.00 0.02 0.02) = 0.091% HA GLU- 15 - HG3 PRO 52 7.143% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% HA SER 13 - HG3 PRO 52 7.143% * 0.0794% (0.81 1.0 1.00 0.02 0.02) = 0.079% HA LEU 40 - HG3 PRO 52 7.143% * 0.0736% (0.75 1.0 1.00 0.02 0.02) = 0.074% HA THR 46 - HG2 PRO 58 7.143% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA THR 46 - HG3 PRO 52 7.143% * 0.0259% (0.26 1.0 1.00 0.02 0.02) = 0.026% HA GLN 17 - HG2 PRO 58 7.143% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA SER 37 - HG2 PRO 58 7.143% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA GLN 17 - HG3 PRO 52 7.143% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% HA SER 37 - HG3 PRO 52 7.143% * 0.0188% (0.19 1.0 1.00 0.02 0.02) = 0.019% Peak 604 (2.35, 2.08, 28.60 ppm): 8 chemical-shift based assignments, quality = 0.99, support = 4.18, residual support = 136.1: * O T HB2 PRO 58 - HG2 PRO 58 12.500% * 99.0317% (1.00 10.0 10.00 4.22 137.38) = 99.032% kept T HB2 PRO 58 - HG3 PRO 52 12.500% * 0.8017% (0.81 1.0 10.00 0.02 0.02) = 0.802% HB3 PHE 97 - HG2 PRO 58 12.500% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB3 PHE 97 - HG3 PRO 52 12.500% * 0.0390% (0.39 1.0 1.00 0.02 0.02) = 0.039% HB2 GLN 116 - HG2 PRO 58 12.500% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 116 - HG3 PRO 52 12.500% * 0.0223% (0.23 1.0 1.00 0.02 0.02) = 0.022% HB2 GLU- 100 - HG2 PRO 58 12.500% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 GLU- 100 - HG3 PRO 52 12.500% * 0.0132% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 605 (1.89, 2.08, 28.60 ppm): 10 chemical-shift based assignments, quality = 0.655, support = 4.23, residual support = 135.0: * O T HB3 PRO 58 - HG2 PRO 58 10.000% * 98.2784% (0.67 10.0 10.00 4.30 137.38) = 98.278% kept T HB3 PRO 58 - HG3 PRO 52 10.000% * 0.7956% (0.54 1.0 10.00 0.02 0.02) = 0.796% HB3 GLN 30 - HG2 PRO 58 10.000% * 0.1473% (1.00 1.0 1.00 0.02 0.02) = 0.147% HB2 MET 92 - HG2 PRO 58 10.000% * 0.1360% (0.92 1.0 1.00 0.02 0.02) = 0.136% HB3 LYS+ 38 - HG2 PRO 58 10.000% * 0.1300% (0.88 1.0 1.00 0.02 0.02) = 0.130% HB3 GLN 30 - HG3 PRO 52 10.000% * 0.1193% (0.81 1.0 1.00 0.02 0.02) = 0.119% HB2 MET 92 - HG3 PRO 52 10.000% * 0.1101% (0.75 1.0 1.00 0.02 0.02) = 0.110% HB3 LYS+ 38 - HG3 PRO 52 10.000% * 0.1053% (0.71 1.0 1.00 0.02 0.02) = 0.105% HB ILE 56 - HG2 PRO 58 10.000% * 0.0983% (0.67 1.0 1.00 0.02 0.14) = 0.098% HB ILE 56 - HG3 PRO 52 10.000% * 0.0796% (0.54 1.0 1.00 0.02 0.02) = 0.080% 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): 6 chemical-shift based assignments, quality = 0.872, support = 6.33, residual support = 135.7: * O T HD2 PRO 58 - HG2 PRO 58 16.667% * 98.8078% (0.88 10.0 10.00 6.41 137.38) = 98.808% kept T HD2 PRO 58 - HG3 PRO 52 16.667% * 0.7999% (0.71 1.0 10.00 0.02 0.02) = 0.800% HA GLU- 100 - HG2 PRO 58 16.667% * 0.1097% (0.98 1.0 1.00 0.02 0.02) = 0.110% HA VAL 83 - HG2 PRO 58 16.667% * 0.1070% (0.96 1.0 1.00 0.02 0.02) = 0.107% HA GLU- 100 - HG3 PRO 52 16.667% * 0.0888% (0.79 1.0 1.00 0.02 0.02) = 0.089% HA VAL 83 - HG3 PRO 52 16.667% * 0.0867% (0.77 1.0 1.00 0.02 0.02) = 0.087% 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 = 2.93, residual support = 41.2: * O T HB2 PHE 59 - HA PHE 59 16.667% * 99.7390% (1.00 10.0 10.00 2.93 41.35) = 99.739% kept QB PHE 55 - HA PHE 59 16.667% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% HD3 PRO 68 - HA PHE 59 16.667% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HD3 PRO 93 - HA PHE 59 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 CYS 53 - HA PHE 59 16.667% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HD2 ARG+ 54 - HA PHE 59 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 610 (3.16, 4.35, 60.90 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 41.3: * O T HB3 PHE 59 - HA PHE 59 50.000% * 99.9836% (1.00 10.0 10.00 3.57 41.35) = 99.984% kept HB3 TRP 49 - HA PHE 59 50.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 611 (4.35, 3.32, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.991, support = 2.91, residual support = 41.0: * O T HA PHE 59 - HB2 PHE 59 33.333% * 99.1125% (1.00 10.0 10.00 2.93 41.35) = 99.113% kept HA ASP- 113 - HB2 PHE 59 33.333% * 0.8503% (0.28 1.0 1.00 0.62 0.02) = 0.850% HA TRP 87 - HB2 PHE 59 33.333% * 0.0372% (0.38 1.0 1.00 0.02 0.10) = 0.037% 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 = 3.3, residual support = 41.3: * O T HB3 PHE 59 - HB2 PHE 59 50.000% * 99.9836% (1.00 10.0 10.00 3.30 41.35) = 99.984% kept HB3 TRP 49 - HB2 PHE 59 50.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 614 (4.35, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 3.54, residual support = 40.9: * O T HA PHE 59 - HB3 PHE 59 33.333% * 98.8669% (1.00 10.0 10.00 3.57 41.35) = 98.867% kept HA ASP- 113 - HB3 PHE 59 33.333% * 1.0960% (0.28 1.0 1.00 0.80 0.02) = 1.096% kept HA TRP 87 - HB3 PHE 59 33.333% * 0.0371% (0.38 1.0 1.00 0.02 0.10) = 0.037% Peak 615 (3.32, 3.16, 39.73 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 3.24, residual support = 40.5: * O T HB2 PHE 59 - HB3 PHE 59 16.667% * 97.8934% (1.00 10.0 10.00 3.30 41.35) = 97.893% kept QB PHE 55 - HB3 PHE 59 16.667% * 1.9271% (0.78 1.0 1.00 0.50 0.02) = 1.927% kept HD3 PRO 68 - HB3 PHE 59 16.667% * 0.0653% (0.67 1.0 1.00 0.02 0.02) = 0.065% HD3 PRO 93 - HB3 PHE 59 16.667% * 0.0594% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 CYS 53 - HB3 PHE 59 16.667% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% HD2 ARG+ 54 - HB3 PHE 59 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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 = 3.92, residual support = 58.6: * O T HB2 PHE 60 - HA PHE 60 50.000% * 97.7770% (1.00 10.0 10.00 4.00 59.96) = 97.777% kept HB2 TRP 87 - HA PHE 60 50.000% * 2.2230% (0.98 1.0 1.00 0.46 0.98) = 2.223% kept Peak 619 (2.97, 3.92, 62.21 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 59.9: * O T HB3 PHE 60 - HA PHE 60 25.000% * 99.8686% (1.00 10.0 10.00 4.00 59.96) = 99.869% kept QE LYS+ 106 - HA PHE 60 25.000% * 0.0881% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 PHE 97 - HA PHE 60 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 TRP 27 - HA PHE 60 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 620 (3.92, 3.40, 40.02 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 59.9: * O T HA PHE 60 - HB2 PHE 60 50.000% * 99.9675% (1.00 10.0 10.00 4.00 59.96) = 99.968% kept QB SER 117 - HB2 PHE 60 50.000% * 0.0325% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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): 4 chemical-shift based assignments, quality = 0.999, support = 3.89, residual support = 59.9: * O T HB3 PHE 60 - HB2 PHE 60 25.000% * 99.8686% (1.00 10.0 10.00 3.89 59.96) = 99.869% kept QE LYS+ 106 - HB2 PHE 60 25.000% * 0.0881% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB2 PHE 97 - HB2 PHE 60 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 TRP 27 - HB2 PHE 60 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 623 (3.92, 2.97, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.993, support = 3.97, residual support = 59.6: * O T HA PHE 60 - HB3 PHE 60 50.000% * 99.3437% (1.00 10.0 10.00 4.00 59.96) = 99.344% kept QB SER 117 - HB3 PHE 60 50.000% * 0.6563% (0.32 1.0 1.00 0.41 0.02) = 0.656% Peak 624 (3.40, 2.97, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.74, residual support = 56.8: * O T HB2 PHE 60 - HB3 PHE 60 50.000% * 94.5671% (1.00 10.0 10.00 3.89 59.96) = 94.567% kept HB2 TRP 87 - HB3 PHE 60 50.000% * 5.4329% (0.98 1.0 1.00 1.17 0.98) = 5.433% 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): 9 chemical-shift based assignments, quality = 0.981, support = 1.99, residual support = 11.1: * O T QB ALA 61 - HA ALA 61 11.111% * 98.1077% (1.00 10.0 10.00 2.03 11.32) = 98.108% kept T QB ALA 110 - HA ALA 61 11.111% * 0.8195% (0.84 1.0 10.00 0.02 0.02) = 0.819% QG LYS+ 66 - HA ALA 61 11.111% * 0.4804% (0.67 1.0 1.00 0.15 0.02) = 0.480% HG12 ILE 19 - HA ALA 61 11.111% * 0.3391% (0.73 1.0 1.00 0.10 0.02) = 0.339% HB3 LEU 67 - HA ALA 61 11.111% * 0.0906% (0.92 1.0 1.00 0.02 0.02) = 0.091% HG LEU 80 - HA ALA 61 11.111% * 0.0866% (0.88 1.0 1.00 0.02 0.02) = 0.087% HG LEU 73 - HA ALA 61 11.111% * 0.0368% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG2 LYS+ 102 - HA ALA 61 11.111% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 80 - HA ALA 61 11.111% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 628 (3.74, 1.43, 17.92 ppm): 6 chemical-shift based assignments, quality = 0.992, support = 2.01, residual support = 11.2: * O T HA ALA 61 - QB ALA 61 16.667% * 99.1627% (1.00 10.0 10.00 2.03 11.32) = 99.163% kept T HA ALA 61 - QB ALA 110 16.667% * 0.6640% (0.67 1.0 10.00 0.02 0.02) = 0.664% HD2 PRO 68 - QB ALA 61 16.667% * 0.0875% (0.88 1.0 1.00 0.02 0.02) = 0.088% HD2 PRO 68 - QB ALA 110 16.667% * 0.0586% (0.59 1.0 1.00 0.02 0.02) = 0.059% HD3 PRO 58 - QB ALA 61 16.667% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HD3 PRO 58 - QB ALA 110 16.667% * 0.0109% (0.11 1.0 1.00 0.02 0.02) = 0.011% 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 (0.56) 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 = 38.9: * O T HB2 ASP- 62 - HA ASP- 62 50.000% * 99.9722% (1.00 10.0 10.00 3.00 38.89) = 99.972% kept HB2 PRO 52 - HA ASP- 62 50.000% * 0.0278% (0.28 1.0 1.00 0.02 2.09) = 0.028% Peak 632 (2.45, 4.22, 57.45 ppm): 5 chemical-shift based assignments, quality = 0.954, support = 2.99, residual support = 38.8: * O T HB3 ASP- 62 - HA ASP- 62 20.000% * 99.8251% (0.96 10.0 10.00 3.00 38.89) = 99.825% kept HG3 MET 96 - HA ASP- 62 20.000% * 0.0758% (0.73 1.0 1.00 0.02 0.02) = 0.076% HG2 GLU- 36 - HA ASP- 62 20.000% * 0.0392% (0.38 1.0 1.00 0.02 0.02) = 0.039% HB3 ASP- 86 - HA ASP- 62 20.000% * 0.0392% (0.38 1.0 1.00 0.02 0.90) = 0.039% HG2 GLU- 29 - HA ASP- 62 20.000% * 0.0207% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 633 (4.22, 2.65, 41.28 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 38.8: * O T HA ASP- 62 - HB2 ASP- 62 33.333% * 99.8888% (1.00 10.0 10.00 3.00 38.89) = 99.889% kept HB THR 26 - HB2 ASP- 62 33.333% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA SER 117 - HB2 ASP- 62 33.333% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% 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 = 0.948, support = 2.97, residual support = 38.6: * O T HB3 ASP- 62 - HB2 ASP- 62 20.000% * 99.1365% (0.96 10.0 10.00 3.00 38.89) = 99.137% kept HB3 ASP- 86 - HB2 ASP- 62 20.000% * 0.7287% (0.38 1.0 1.00 0.37 0.90) = 0.729% HG3 MET 96 - HB2 ASP- 62 20.000% * 0.0753% (0.73 1.0 1.00 0.02 0.02) = 0.075% HG2 GLU- 36 - HB2 ASP- 62 20.000% * 0.0389% (0.38 1.0 1.00 0.02 0.02) = 0.039% HG2 GLU- 29 - HB2 ASP- 62 20.000% * 0.0205% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 636 (4.22, 2.45, 41.28 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 3.0, residual support = 38.8: * O T HA ASP- 62 - HB3 ASP- 62 33.333% * 99.8888% (0.96 10.0 10.00 3.00 38.89) = 99.889% kept HB THR 26 - HB3 ASP- 62 33.333% * 0.0834% (0.80 1.0 1.00 0.02 0.02) = 0.083% HA SER 117 - HB3 ASP- 62 33.333% * 0.0278% (0.27 1.0 1.00 0.02 0.02) = 0.028% Peak 637 (2.65, 2.45, 41.28 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 3.0, residual support = 38.9: * O T HB2 ASP- 62 - HB3 ASP- 62 50.000% * 99.9722% (0.96 10.0 10.00 3.00 38.89) = 99.972% kept HB2 PRO 52 - HB3 ASP- 62 50.000% * 0.0278% (0.27 1.0 1.00 0.02 2.09) = 0.028% Peak 638 (2.45, 2.45, 41.28 ppm): 1 diagonal assignment: * HB3 ASP- 62 - HB3 ASP- 62 (0.91) 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 = 0.973, support = 5.96, residual support = 190.1: * O T HB2 LEU 63 - HA LEU 63 9.091% * 95.0795% (1.00 10.0 10.00 6.24 199.94) = 95.080% kept HG2 LYS+ 111 - HA LEU 63 9.091% * 2.1891% (0.67 1.0 1.00 0.69 0.35) = 2.189% kept QB ALA 84 - HA LEU 63 9.091% * 1.8654% (0.43 1.0 1.00 0.91 0.14) = 1.865% kept HB3 PRO 93 - HA LEU 63 9.091% * 0.4356% (0.38 1.0 1.00 0.24 0.18) = 0.436% HB3 ASP- 44 - HA LEU 63 9.091% * 0.0909% (0.96 1.0 1.00 0.02 0.02) = 0.091% HB3 LEU 80 - HA LEU 63 9.091% * 0.0909% (0.96 1.0 1.00 0.02 0.65) = 0.091% QB ALA 124 - HA LEU 63 9.091% * 0.0744% (0.78 1.0 1.00 0.02 0.02) = 0.074% HB2 LEU 31 - HA LEU 63 9.091% * 0.0744% (0.78 1.0 1.00 0.02 0.34) = 0.074% HG LEU 98 - HA LEU 63 9.091% * 0.0577% (0.61 1.0 1.00 0.02 0.12) = 0.058% HG2 LYS+ 99 - HA LEU 63 9.091% * 0.0264% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG2 LYS+ 38 - HA LEU 63 9.091% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 641 (0.88, 3.50, 57.67 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.97, residual support = 199.7: * O T HB3 LEU 63 - HA LEU 63 25.000% * 99.8918% (1.00 10.0 10.00 5.98 199.94) = 99.892% kept QG1 VAL 18 - HA LEU 63 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% QG1 VAL 108 - HA LEU 63 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 70 - HA LEU 63 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 642 (1.06, 3.50, 57.67 ppm): 3 chemical-shift based assignments, quality = 0.985, support = 5.67, residual support = 194.5: * O T HG LEU 63 - HA LEU 63 33.333% * 97.2663% (1.00 10.0 10.00 5.81 199.94) = 97.266% kept HG3 LYS+ 112 - HA LEU 63 33.333% * 2.3252% (0.55 1.0 1.00 0.88 0.20) = 2.325% kept QG2 VAL 24 - HA LEU 63 33.333% * 0.4084% (0.92 1.0 1.00 0.09 1.23) = 0.408% Peak 643 (0.58, 3.50, 57.67 ppm): 6 chemical-shift based assignments, quality = 0.865, support = 4.74, residual support = 169.8: * T QD1 LEU 63 - HA LEU 63 16.667% * 66.0355% (1.00 10.00 5.47 199.94) = 66.035% kept T QD2 LEU 63 - HA LEU 63 16.667% * 18.3603% (0.28 10.00 5.75 199.94) = 18.360% kept T QD1 LEU 73 - HA LEU 63 16.667% * 15.3365% (1.00 10.00 0.46 6.67) = 15.337% kept T QD1 LEU 104 - HA LEU 63 16.667% * 0.1836% (0.28 10.00 0.02 0.14) = 0.184% QD2 LEU 115 - HA LEU 63 16.667% * 0.0440% (0.67 1.00 0.02 0.02) = 0.044% QD2 LEU 80 - HA LEU 63 16.667% * 0.0401% (0.61 1.00 0.02 0.65) = 0.040% Peak 644 (0.57, 3.50, 57.67 ppm): 6 chemical-shift based assignments, quality = 0.815, support = 5.44, residual support = 190.6: * T QD2 LEU 63 - HA LEU 63 16.667% * 74.4488% (1.00 10.00 5.75 199.94) = 74.449% kept T QD1 LEU 63 - HA LEU 63 16.667% * 20.6995% (0.28 10.00 5.47 199.94) = 20.700% kept T QD1 LEU 73 - HA LEU 63 16.667% * 4.8074% (0.28 10.00 0.46 6.67) = 4.807% kept QG2 VAL 41 - HA LEU 63 16.667% * 0.0242% (0.32 1.00 0.02 0.02) = 0.024% QD2 LEU 98 - HA LEU 63 16.667% * 0.0101% (0.14 1.00 0.02 0.12) = 0.010% QD1 LEU 80 - HA LEU 63 16.667% * 0.0101% (0.14 1.00 0.02 0.65) = 0.010% Peak 645 (3.50, 1.34, 41.55 ppm): 2 chemical-shift based assignments, quality = 0.991, support = 6.18, residual support = 198.1: * O T HA LEU 63 - HB2 LEU 63 50.000% * 99.0819% (1.00 10.0 10.00 6.24 199.94) = 99.082% kept HB2 HIS 22 - HB2 LEU 63 50.000% * 0.9181% (0.55 1.0 1.00 0.34 0.26) = 0.918% 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): 4 chemical-shift based assignments, quality = 0.999, support = 6.26, residual support = 199.7: * O T HB3 LEU 63 - HB2 LEU 63 25.000% * 99.8918% (1.00 10.0 10.00 6.27 199.94) = 99.892% kept QG1 VAL 18 - HB2 LEU 63 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% QG1 VAL 108 - HB2 LEU 63 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 70 - HB2 LEU 63 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 648 (1.06, 1.34, 41.55 ppm): 3 chemical-shift based assignments, quality = 0.984, support = 6.1, residual support = 194.0: * O T HG LEU 63 - HB2 LEU 63 33.333% * 97.0378% (1.00 10.0 10.00 6.27 199.94) = 97.038% kept HG3 LYS+ 112 - HB2 LEU 63 33.333% * 2.4557% (0.55 1.0 1.00 0.93 0.20) = 2.456% kept QG2 VAL 24 - HB2 LEU 63 33.333% * 0.5065% (0.92 1.0 1.00 0.11 1.23) = 0.507% Peak 649 (0.58, 1.34, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 4.16, residual support = 114.9: * O T QD1 LEU 63 - HB2 LEU 63 16.667% * 43.8400% (1.00 10.0 10.00 5.81 199.94) = 43.840% kept T QD1 LEU 73 - HB2 LEU 63 16.667% * 43.7932% (1.00 1.0 10.00 2.00 6.67) = 43.793% kept O T QD2 LEU 63 - HB2 LEU 63 16.667% * 12.1891% (0.28 10.0 10.00 6.07 199.94) = 12.189% kept T QD1 LEU 104 - HB2 LEU 63 16.667% * 0.1219% (0.28 1.0 10.00 0.02 0.14) = 0.122% QD2 LEU 115 - HB2 LEU 63 16.667% * 0.0292% (0.67 1.0 1.00 0.02 0.02) = 0.029% QD2 LEU 80 - HB2 LEU 63 16.667% * 0.0266% (0.61 1.0 1.00 0.02 0.65) = 0.027% Peak 650 (0.57, 1.34, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 5.3, residual support = 165.4: * O T QD2 LEU 63 - HB2 LEU 63 16.667% * 64.2519% (1.00 10.0 10.00 6.07 199.94) = 64.252% kept O T QD1 LEU 63 - HB2 LEU 63 16.667% * 17.8644% (0.28 10.0 10.00 5.81 199.94) = 17.864% kept T QD1 LEU 73 - HB2 LEU 63 16.667% * 17.8454% (0.28 1.0 10.00 2.00 6.67) = 17.845% kept QG2 VAL 41 - HB2 LEU 63 16.667% * 0.0209% (0.32 1.0 1.00 0.02 0.02) = 0.021% QD2 LEU 98 - HB2 LEU 63 16.667% * 0.0087% (0.14 1.0 1.00 0.02 0.12) = 0.009% QD1 LEU 80 - HB2 LEU 63 16.667% * 0.0087% (0.14 1.0 1.00 0.02 0.65) = 0.009% Peak 651 (3.50, 0.88, 41.55 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 5.92, residual support = 198.0: * O T HA LEU 63 - HB3 LEU 63 50.000% * 99.0230% (1.00 10.0 10.00 5.98 199.94) = 99.023% kept HB2 HIS 22 - HB3 LEU 63 50.000% * 0.9770% (0.55 1.0 1.00 0.36 0.26) = 0.977% Peak 652 (1.34, 0.88, 41.55 ppm): 11 chemical-shift based assignments, quality = 0.976, support = 6.0, residual support = 190.3: * O T HB2 LEU 63 - HB3 LEU 63 9.091% * 95.1869% (1.00 10.0 10.00 6.27 199.94) = 95.187% kept HG2 LYS+ 111 - HB3 LEU 63 9.091% * 2.1787% (0.67 1.0 1.00 0.69 0.35) = 2.179% kept QB ALA 84 - HB3 LEU 63 9.091% * 2.1678% (0.43 1.0 1.00 1.06 0.14) = 2.168% kept HB3 ASP- 44 - HB3 LEU 63 9.091% * 0.0910% (0.96 1.0 1.00 0.02 0.02) = 0.091% HB3 LEU 80 - HB3 LEU 63 9.091% * 0.0910% (0.96 1.0 1.00 0.02 0.65) = 0.091% QB ALA 124 - HB3 LEU 63 9.091% * 0.0745% (0.78 1.0 1.00 0.02 0.02) = 0.075% HB2 LEU 31 - HB3 LEU 63 9.091% * 0.0745% (0.78 1.0 1.00 0.02 0.34) = 0.075% HG LEU 98 - HB3 LEU 63 9.091% * 0.0577% (0.61 1.0 1.00 0.02 0.12) = 0.058% HB3 PRO 93 - HB3 LEU 63 9.091% * 0.0357% (0.38 1.0 1.00 0.02 0.18) = 0.036% HG2 LYS+ 99 - HB3 LEU 63 9.091% * 0.0265% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG2 LYS+ 38 - HB3 LEU 63 9.091% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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 = 0.987, support = 5.86, residual support = 194.4: * O T HG LEU 63 - HB3 LEU 63 33.333% * 97.2169% (1.00 10.0 10.00 6.00 199.94) = 97.217% kept HG3 LYS+ 112 - HB3 LEU 63 33.333% * 2.6934% (0.55 1.0 1.00 1.01 0.20) = 2.693% kept QG2 VAL 24 - HB3 LEU 63 33.333% * 0.0897% (0.92 1.0 1.00 0.02 1.23) = 0.090% Peak 655 (0.58, 0.88, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.91, support = 4.39, residual support = 114.9: T QD1 LEU 73 - HB3 LEU 63 16.667% * 43.8195% (1.00 1.0 10.00 2.74 6.67) = 43.819% kept * O T QD1 LEU 63 - HB3 LEU 63 16.667% * 43.8195% (1.00 10.0 10.00 5.64 199.94) = 43.819% kept O T QD2 LEU 63 - HB3 LEU 63 16.667% * 12.1834% (0.28 10.0 10.00 5.88 199.94) = 12.183% kept T QD1 LEU 104 - HB3 LEU 63 16.667% * 0.1218% (0.28 1.0 10.00 0.02 0.14) = 0.122% QD2 LEU 115 - HB3 LEU 63 16.667% * 0.0292% (0.67 1.0 1.00 0.02 0.02) = 0.029% QD2 LEU 80 - HB3 LEU 63 16.667% * 0.0266% (0.61 1.0 1.00 0.02 0.65) = 0.027% Peak 656 (0.57, 0.88, 41.55 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 5.27, residual support = 165.3: * O T QD2 LEU 63 - HB3 LEU 63 16.667% * 64.2397% (1.00 10.0 10.00 5.88 199.94) = 64.240% kept T QD1 LEU 73 - HB3 LEU 63 16.667% * 17.8610% (0.28 1.0 10.00 2.74 6.67) = 17.861% kept O T QD1 LEU 63 - HB3 LEU 63 16.667% * 17.8610% (0.28 10.0 10.00 5.64 199.94) = 17.861% kept QG2 VAL 41 - HB3 LEU 63 16.667% * 0.0209% (0.32 1.0 1.00 0.02 0.02) = 0.021% QD2 LEU 98 - HB3 LEU 63 16.667% * 0.0087% (0.14 1.0 1.00 0.02 0.12) = 0.009% QD1 LEU 80 - HB3 LEU 63 16.667% * 0.0087% (0.14 1.0 1.00 0.02 0.65) = 0.009% Peak 657 (3.50, 1.06, 26.21 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 5.75, residual support = 198.0: * O T HA LEU 63 - HG LEU 63 50.000% * 99.0184% (1.00 10.0 10.00 5.81 199.94) = 99.018% kept HB2 HIS 22 - HG LEU 63 50.000% * 0.9816% (0.55 1.0 1.00 0.36 0.26) = 0.982% Peak 658 (1.34, 1.06, 26.21 ppm): 11 chemical-shift based assignments, quality = 0.988, support = 6.12, residual support = 195.0: * O T HB2 LEU 63 - HG LEU 63 9.091% * 97.5231% (1.00 10.0 10.00 6.27 199.94) = 97.523% kept HG2 LYS+ 111 - HG LEU 63 9.091% * 1.9570% (0.67 1.0 1.00 0.60 0.35) = 1.957% kept HB3 ASP- 44 - HG LEU 63 9.091% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% HB3 LEU 80 - HG LEU 63 9.091% * 0.0932% (0.96 1.0 1.00 0.02 0.65) = 0.093% QB ALA 124 - HG LEU 63 9.091% * 0.0763% (0.78 1.0 1.00 0.02 0.02) = 0.076% HB2 LEU 31 - HG LEU 63 9.091% * 0.0763% (0.78 1.0 1.00 0.02 0.34) = 0.076% HG LEU 98 - HG LEU 63 9.091% * 0.0592% (0.61 1.0 1.00 0.02 0.12) = 0.059% QB ALA 84 - HG LEU 63 9.091% * 0.0419% (0.43 1.0 1.00 0.02 0.14) = 0.042% HB3 PRO 93 - HG LEU 63 9.091% * 0.0366% (0.38 1.0 1.00 0.02 0.18) = 0.037% HG2 LYS+ 99 - HG LEU 63 9.091% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% HG2 LYS+ 38 - HG LEU 63 9.091% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 659 (0.88, 1.06, 26.21 ppm): 4 chemical-shift based assignments, quality = 0.991, support = 5.92, residual support = 197.0: * O T HB3 LEU 63 - HG LEU 63 25.000% * 98.5434% (1.00 10.0 10.00 6.00 199.94) = 98.543% kept QG1 VAL 108 - HG LEU 63 25.000% * 1.3869% (0.38 1.0 1.00 0.75 0.02) = 1.387% kept QG1 VAL 18 - HG LEU 63 25.000% * 0.0423% (0.43 1.0 1.00 0.02 0.02) = 0.042% QG1 VAL 70 - HG LEU 63 25.000% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% 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 = 0.889, support = 4.08, residual support = 141.0: * O T QD1 LEU 63 - HG LEU 63 16.667% * 54.3774% (1.00 10.0 10.00 5.37 199.94) = 54.377% kept T QD1 LEU 73 - HG LEU 63 16.667% * 30.2832% (1.00 1.0 10.00 1.11 6.67) = 30.283% kept O T QD2 LEU 63 - HG LEU 63 16.667% * 15.1189% (0.28 10.0 10.00 5.46 199.94) = 15.119% kept T QD1 LEU 104 - HG LEU 63 16.667% * 0.1512% (0.28 1.0 10.00 0.02 0.14) = 0.151% QD2 LEU 115 - HG LEU 63 16.667% * 0.0363% (0.67 1.0 1.00 0.02 0.02) = 0.036% QD2 LEU 80 - HG LEU 63 16.667% * 0.0330% (0.61 1.0 1.00 0.02 0.65) = 0.033% Peak 662 (0.57, 1.06, 26.21 ppm): 6 chemical-shift based assignments, quality = 0.782, support = 4.97, residual support = 179.0: * O T QD2 LEU 63 - HG LEU 63 16.667% * 69.7606% (1.00 10.0 10.00 5.46 199.94) = 69.761% kept O T QD1 LEU 63 - HG LEU 63 16.667% * 19.3960% (0.28 10.0 10.00 5.37 199.94) = 19.396% kept T QD1 LEU 73 - HG LEU 63 16.667% * 10.8018% (0.28 1.0 10.00 1.11 6.67) = 10.802% kept QG2 VAL 41 - HG LEU 63 16.667% * 0.0226% (0.32 1.0 1.00 0.02 0.02) = 0.023% QD2 LEU 98 - HG LEU 63 16.667% * 0.0094% (0.14 1.0 1.00 0.02 0.12) = 0.009% QD1 LEU 80 - HG LEU 63 16.667% * 0.0094% (0.14 1.0 1.00 0.02 0.65) = 0.009% Peak 663 (3.50, 0.58, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.98, support = 4.41, residual support = 157.9: * T HA LEU 63 - QD1 LEU 63 16.667% * 78.3530% (1.00 10.00 5.47 199.94) = 78.353% kept T HA LEU 63 - QD1 LEU 73 16.667% * 18.1972% (1.00 10.00 0.46 6.67) = 18.197% kept HB2 HIS 22 - QD1 LEU 63 16.667% * 2.7206% (0.55 1.00 1.27 0.26) = 2.721% kept HB2 HIS 22 - QD1 LEU 73 16.667% * 0.6299% (0.55 1.00 0.29 0.02) = 0.630% T HA LEU 63 - QD1 LEU 104 16.667% * 0.0942% (0.12 10.00 0.02 0.14) = 0.094% HB2 HIS 22 - QD1 LEU 104 16.667% * 0.0051% (0.07 1.00 0.02 0.02) = 0.005% Peak 664 (1.34, 0.58, 26.34 ppm): 33 chemical-shift based assignments, quality = 0.981, support = 3.22, residual support = 82.8: * O T HB2 LEU 63 - QD1 LEU 63 3.030% * 40.0320% (1.00 10.0 10.00 5.81 199.94) = 40.032% kept T HB2 LEU 63 - QD1 LEU 73 3.030% * 39.9892% (1.00 1.0 10.00 2.00 6.67) = 39.989% kept T HB3 LEU 80 - QD1 LEU 63 3.030% * 10.8810% (0.96 1.0 10.00 0.57 0.65) = 10.881% kept T HB3 LEU 80 - QD1 LEU 73 3.030% * 8.0463% (0.96 1.0 10.00 0.42 0.11) = 8.046% kept HG LEU 98 - QD1 LEU 63 3.030% * 0.5951% (0.61 1.0 1.00 0.49 0.12) = 0.595% T HB2 LEU 63 - QD1 LEU 104 3.030% * 0.0481% (0.12 1.0 10.00 0.02 0.14) = 0.048% HB3 ASP- 44 - QD1 LEU 73 3.030% * 0.0383% (0.96 1.0 1.00 0.02 0.19) = 0.038% HB3 ASP- 44 - QD1 LEU 63 3.030% * 0.0383% (0.96 1.0 1.00 0.02 0.02) = 0.038% QB ALA 124 - QD1 LEU 63 3.030% * 0.0313% (0.78 1.0 1.00 0.02 0.02) = 0.031% QB ALA 124 - QD1 LEU 73 3.030% * 0.0313% (0.78 1.0 1.00 0.02 0.02) = 0.031% HB2 LEU 31 - QD1 LEU 63 3.030% * 0.0313% (0.78 1.0 1.00 0.02 0.34) = 0.031% HB2 LEU 31 - QD1 LEU 73 3.030% * 0.0313% (0.78 1.0 1.00 0.02 0.85) = 0.031% HG2 LYS+ 111 - QD1 LEU 73 3.030% * 0.0267% (0.67 1.0 1.00 0.02 0.11) = 0.027% HG2 LYS+ 111 - QD1 LEU 63 3.030% * 0.0267% (0.67 1.0 1.00 0.02 0.35) = 0.027% HG LEU 98 - QD1 LEU 73 3.030% * 0.0243% (0.61 1.0 1.00 0.02 0.02) = 0.024% QB ALA 84 - QD1 LEU 73 3.030% * 0.0172% (0.43 1.0 1.00 0.02 0.02) = 0.017% QB ALA 84 - QD1 LEU 63 3.030% * 0.0172% (0.43 1.0 1.00 0.02 0.14) = 0.017% HB3 PRO 93 - QD1 LEU 73 3.030% * 0.0150% (0.38 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 93 - QD1 LEU 63 3.030% * 0.0150% (0.38 1.0 1.00 0.02 0.18) = 0.015% HG2 LYS+ 99 - QD1 LEU 63 3.030% * 0.0111% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 99 - QD1 LEU 73 3.030% * 0.0111% (0.28 1.0 1.00 0.02 0.02) = 0.011% HG2 LYS+ 38 - QD1 LEU 63 3.030% * 0.0066% (0.16 1.0 1.00 0.02 0.02) = 0.007% HG2 LYS+ 38 - QD1 LEU 73 3.030% * 0.0066% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB3 ASP- 44 - QD1 LEU 104 3.030% * 0.0046% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 80 - QD1 LEU 104 3.030% * 0.0046% (0.11 1.0 1.00 0.02 0.02) = 0.005% QB ALA 124 - QD1 LEU 104 3.030% * 0.0038% (0.09 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 31 - QD1 LEU 104 3.030% * 0.0038% (0.09 1.0 1.00 0.02 0.33) = 0.004% HG2 LYS+ 111 - QD1 LEU 104 3.030% * 0.0032% (0.08 1.0 1.00 0.02 0.02) = 0.003% HG LEU 98 - QD1 LEU 104 3.030% * 0.0029% (0.07 1.0 1.00 0.02 7.45) = 0.003% QB ALA 84 - QD1 LEU 104 3.030% * 0.0021% (0.05 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 93 - QD1 LEU 104 3.030% * 0.0018% (0.05 1.0 1.00 0.02 0.02) = 0.002% HG2 LYS+ 99 - QD1 LEU 104 3.030% * 0.0013% (0.03 1.0 1.00 0.02 6.65) = 0.001% HG2 LYS+ 38 - QD1 LEU 104 3.030% * 0.0008% (0.02 1.0 1.00 0.02 0.02) = 0.001% Peak 665 (0.88, 0.58, 26.34 ppm): 12 chemical-shift based assignments, quality = 0.988, support = 4.15, residual support = 101.5: T HB3 LEU 63 - QD1 LEU 73 8.333% * 49.1180% (1.00 1.0 10.00 2.74 6.67) = 49.118% kept * O T HB3 LEU 63 - QD1 LEU 63 8.333% * 49.1180% (1.00 10.0 10.00 5.64 199.94) = 49.118% kept QG1 VAL 108 - QD1 LEU 73 8.333% * 1.6107% (0.38 1.0 1.00 1.75 1.23) = 1.611% kept T HB3 LEU 63 - QD1 LEU 104 8.333% * 0.0590% (0.12 1.0 10.00 0.02 0.14) = 0.059% QG1 VAL 18 - QD1 LEU 73 8.333% * 0.0211% (0.43 1.0 1.00 0.02 0.02) = 0.021% QG1 VAL 18 - QD1 LEU 63 8.333% * 0.0211% (0.43 1.0 1.00 0.02 0.02) = 0.021% QG1 VAL 108 - QD1 LEU 63 8.333% * 0.0184% (0.38 1.0 1.00 0.02 0.02) = 0.018% QG1 VAL 70 - QD1 LEU 73 8.333% * 0.0137% (0.28 1.0 1.00 0.02 1.57) = 0.014% QG1 VAL 70 - QD1 LEU 63 8.333% * 0.0137% (0.28 1.0 1.00 0.02 0.02) = 0.014% QG1 VAL 18 - QD1 LEU 104 8.333% * 0.0025% (0.05 1.0 1.00 0.02 0.02) = 0.003% QG1 VAL 108 - QD1 LEU 104 8.333% * 0.0022% (0.05 1.0 1.00 0.02 0.02) = 0.002% QG1 VAL 70 - QD1 LEU 104 8.333% * 0.0016% (0.03 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 = 0.987, support = 3.69, residual support = 124.7: * O T HG LEU 63 - QD1 LEU 63 11.111% * 61.2036% (1.00 10.0 10.00 5.37 199.94) = 61.204% kept T HG LEU 63 - QD1 LEU 73 11.111% * 34.0848% (1.00 1.0 10.00 1.11 6.67) = 34.085% kept QG2 VAL 24 - QD1 LEU 63 11.111% * 2.2498% (0.92 1.0 1.00 0.80 1.23) = 2.250% kept QG2 VAL 24 - QD1 LEU 73 11.111% * 1.3918% (0.92 1.0 1.00 0.49 0.27) = 1.392% kept HG3 LYS+ 112 - QD1 LEU 63 11.111% * 0.9522% (0.55 1.0 1.00 0.57 0.20) = 0.952% T HG LEU 63 - QD1 LEU 104 11.111% * 0.0736% (0.12 1.0 10.00 0.02 0.14) = 0.074% HG3 LYS+ 112 - QD1 LEU 73 11.111% * 0.0334% (0.55 1.0 1.00 0.02 3.96) = 0.033% QG2 VAL 24 - QD1 LEU 104 11.111% * 0.0068% (0.11 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 112 - QD1 LEU 104 11.111% * 0.0040% (0.07 1.0 1.00 0.02 0.02) = 0.004% 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 (0.03) kept Peak 668 (0.57, 0.58, 26.34 ppm): 2 diagonal assignments: QD1 LEU 73 - QD1 LEU 73 (0.28) kept QD1 LEU 63 - QD1 LEU 63 (0.28) kept Reference assignment not found: QD2 LEU 63 - QD1 LEU 63 Peak 669 (3.50, 0.57, 23.00 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 5.62, residual support = 194.4: * T HA LEU 63 - QD2 LEU 63 50.000% * 97.2057% (1.00 10.00 5.75 199.94) = 97.206% kept HB2 HIS 22 - QD2 LEU 63 50.000% * 2.7943% (0.55 1.00 1.05 0.26) = 2.794% kept Peak 670 (1.34, 0.57, 23.00 ppm): 11 chemical-shift based assignments, quality = 0.977, support = 4.94, residual support = 159.7: * O T HB2 LEU 63 - QD2 LEU 63 9.091% * 79.8064% (1.00 10.0 10.00 6.07 199.94) = 79.806% kept T HB3 LEU 80 - QD2 LEU 63 9.091% * 18.6721% (0.96 1.0 10.00 0.49 0.65) = 18.672% kept HG LEU 98 - QD2 LEU 63 9.091% * 0.8974% (0.61 1.0 1.00 0.37 0.12) = 0.897% HB3 ASP- 44 - QD2 LEU 63 9.091% * 0.3464% (0.96 1.0 1.00 0.09 0.02) = 0.346% QB ALA 124 - QD2 LEU 63 9.091% * 0.0625% (0.78 1.0 1.00 0.02 0.02) = 0.062% HB2 LEU 31 - QD2 LEU 63 9.091% * 0.0625% (0.78 1.0 1.00 0.02 0.34) = 0.062% HG2 LYS+ 111 - QD2 LEU 63 9.091% * 0.0532% (0.67 1.0 1.00 0.02 0.35) = 0.053% QB ALA 84 - QD2 LEU 63 9.091% * 0.0343% (0.43 1.0 1.00 0.02 0.14) = 0.034% HB3 PRO 93 - QD2 LEU 63 9.091% * 0.0300% (0.38 1.0 1.00 0.02 0.18) = 0.030% HG2 LYS+ 99 - QD2 LEU 63 9.091% * 0.0222% (0.28 1.0 1.00 0.02 0.02) = 0.022% HG2 LYS+ 38 - QD2 LEU 63 9.091% * 0.0131% (0.16 1.0 1.00 0.02 0.02) = 0.013% Peak 671 (0.88, 0.57, 23.00 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.87, residual support = 199.7: * O T HB3 LEU 63 - QD2 LEU 63 25.000% * 99.8918% (1.00 10.0 10.00 5.88 199.94) = 99.892% kept QG1 VAL 18 - QD2 LEU 63 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% QG1 VAL 108 - QD2 LEU 63 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG1 VAL 70 - QD2 LEU 63 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 672 (1.06, 0.57, 23.00 ppm): 3 chemical-shift based assignments, quality = 0.991, support = 5.31, residual support = 193.9: * O T HG LEU 63 - QD2 LEU 63 33.333% * 96.9634% (1.00 10.0 10.00 5.46 199.94) = 96.963% kept HG3 LYS+ 112 - QD2 LEU 63 33.333% * 1.6875% (0.55 1.0 1.00 0.64 0.20) = 1.688% kept QG2 VAL 24 - QD2 LEU 63 33.333% * 1.3491% (0.92 1.0 1.00 0.30 1.23) = 1.349% kept Peak 673 (0.58, 0.57, 23.00 ppm): 1 diagonal assignment: QD2 LEU 63 - QD2 LEU 63 (0.28) 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 = 20.2: * O T QB ALA 64 - HA ALA 64 100.000% *100.0000% (1.00 10.0 10.00 2.00 20.22) = 100.000% kept Peak 677 (2.84, 0.40, 18.57 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 20.2: * O T HA ALA 64 - QB ALA 64 100.000% *100.0000% (1.00 10.0 10.00 2.00 20.22) = 100.000% kept 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 (0.70) kept HA LYS+ 121 - HA LYS+ 121 (0.01) kept Peak 680 (1.80, 3.96, 58.29 ppm): 12 chemical-shift based assignments, quality = 0.784, support = 5.89, residual support = 99.9: * O T QB LYS+ 65 - HA LYS+ 65 8.333% * 91.9409% (0.84 10.0 10.00 6.05 106.91) = 91.941% kept QB LYS+ 66 - HA LYS+ 65 8.333% * 6.4463% (0.23 1.0 1.00 5.04 24.95) = 6.446% kept T QB LYS+ 65 - HA LYS+ 121 8.333% * 1.3241% (0.05 1.0 10.00 0.47 0.02) = 1.324% kept HB2 LEU 71 - HA LYS+ 65 8.333% * 0.0915% (0.83 1.0 1.00 0.02 0.02) = 0.091% QB LYS+ 102 - HA LYS+ 65 8.333% * 0.0879% (0.80 1.0 1.00 0.02 0.02) = 0.088% HG2 PRO 93 - HA LYS+ 65 8.333% * 0.0613% (0.56 1.0 1.00 0.02 0.95) = 0.061% HB3 GLN 17 - HA LYS+ 65 8.333% * 0.0298% (0.27 1.0 1.00 0.02 0.02) = 0.030% HB2 LEU 71 - HA LYS+ 121 8.333% * 0.0056% (0.05 1.0 1.00 0.02 0.02) = 0.006% QB LYS+ 102 - HA LYS+ 121 8.333% * 0.0054% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG2 PRO 93 - HA LYS+ 121 8.333% * 0.0038% (0.03 1.0 1.00 0.02 0.02) = 0.004% HB3 GLN 17 - HA LYS+ 121 8.333% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LYS+ 66 - HA LYS+ 121 8.333% * 0.0016% (0.01 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 = 0.743, support = 4.63, residual support = 106.1: * O T HG2 LYS+ 65 - HA LYS+ 65 10.000% * 84.0460% (0.84 10.0 10.00 4.57 106.91) = 84.046% kept QD LYS+ 66 - HA LYS+ 65 10.000% * 9.3981% (0.41 1.0 1.00 4.59 24.95) = 9.398% kept T HD2 LYS+ 121 - HA LYS+ 121 10.000% * 5.0458% (0.05 1.0 10.00 6.90 276.12) = 5.046% kept T HG2 LYS+ 65 - HA LYS+ 121 10.000% * 1.1239% (0.05 1.0 10.00 0.44 0.02) = 1.124% kept T QD LYS+ 66 - HA LYS+ 121 10.000% * 0.1161% (0.02 1.0 10.00 0.09 0.02) = 0.116% HD2 LYS+ 121 - HA LYS+ 65 10.000% * 0.0824% (0.82 1.0 1.00 0.02 0.02) = 0.082% QG2 THR 26 - HA LYS+ 65 10.000% * 0.0824% (0.82 1.0 1.00 0.02 0.29) = 0.082% HB2 LYS+ 74 - HA LYS+ 65 10.000% * 0.0561% (0.56 1.0 1.00 0.02 0.02) = 0.056% QG2 THR 26 - HA LYS+ 121 10.000% * 0.0458% (0.05 1.0 1.00 0.18 0.02) = 0.046% HB2 LYS+ 74 - HA LYS+ 121 10.000% * 0.0034% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 683 (1.38, 3.96, 58.29 ppm): 18 chemical-shift based assignments, quality = 0.818, support = 3.71, residual support = 87.6: * O T HG3 LYS+ 65 - HA LYS+ 65 5.556% * 81.7920% (0.84 10.0 10.00 4.45 106.91) = 81.792% kept T HG3 LYS+ 33 - HA LYS+ 65 5.556% * 16.5088% (0.82 1.0 10.00 0.41 0.98) = 16.509% kept T HG3 LYS+ 102 - HA LYS+ 65 5.556% * 0.7819% (0.80 1.0 10.00 0.02 0.02) = 0.782% T HG3 LYS+ 106 - HA LYS+ 65 5.556% * 0.5939% (0.61 1.0 10.00 0.02 0.02) = 0.594% HB VAL 42 - HA LYS+ 65 5.556% * 0.0818% (0.84 1.0 1.00 0.02 0.02) = 0.082% HB3 LEU 73 - HA LYS+ 65 5.556% * 0.0802% (0.82 1.0 1.00 0.02 0.02) = 0.080% HB2 LYS+ 112 - HA LYS+ 65 5.556% * 0.0722% (0.74 1.0 1.00 0.02 0.02) = 0.072% QB ALA 12 - HA LYS+ 65 5.556% * 0.0398% (0.41 1.0 1.00 0.02 0.02) = 0.040% QB LEU 98 - HA LYS+ 65 5.556% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.013% HB VAL 42 - HA LYS+ 121 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 LYS+ 65 - HA LYS+ 121 5.556% * 0.0050% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 LYS+ 33 - HA LYS+ 121 5.556% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 73 - HA LYS+ 121 5.556% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG3 LYS+ 102 - HA LYS+ 121 5.556% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 112 - HA LYS+ 121 5.556% * 0.0044% (0.05 1.0 1.00 0.02 1.03) = 0.004% HG3 LYS+ 106 - HA LYS+ 121 5.556% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 12 - HA LYS+ 121 5.556% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB LEU 98 - HA LYS+ 121 5.556% * 0.0008% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 684 (1.66, 3.96, 58.29 ppm): 12 chemical-shift based assignments, quality = 0.778, support = 4.8, residual support = 114.8: * T QD LYS+ 65 - HA LYS+ 65 8.333% * 92.7534% (0.84 1.0 10.00 4.74 106.91) = 92.753% kept O T HB2 LYS+ 121 - HA LYS+ 121 8.333% * 5.6528% (0.05 10.0 10.00 7.20 276.12) = 5.653% kept T QD LYS+ 38 - HA LYS+ 65 8.333% * 0.7747% (0.70 1.0 10.00 0.02 0.02) = 0.775% T QD LYS+ 65 - HA LYS+ 121 8.333% * 0.2818% (0.05 1.0 10.00 0.10 0.02) = 0.282% T QD LYS+ 102 - HA LYS+ 65 8.333% * 0.2579% (0.23 1.0 10.00 0.02 0.02) = 0.258% HB2 LYS+ 121 - HA LYS+ 65 8.333% * 0.0923% (0.83 1.0 1.00 0.02 0.02) = 0.092% HB VAL 83 - HA LYS+ 65 8.333% * 0.0909% (0.82 1.0 1.00 0.02 0.02) = 0.091% T QD LYS+ 38 - HA LYS+ 121 8.333% * 0.0475% (0.04 1.0 10.00 0.02 0.02) = 0.047% HD2 LYS+ 74 - HA LYS+ 65 8.333% * 0.0258% (0.23 1.0 1.00 0.02 0.02) = 0.026% T QD LYS+ 102 - HA LYS+ 121 8.333% * 0.0158% (0.01 1.0 10.00 0.02 0.02) = 0.016% HB VAL 83 - HA LYS+ 121 8.333% * 0.0056% (0.05 1.0 1.00 0.02 0.02) = 0.006% HD2 LYS+ 74 - HA LYS+ 121 8.333% * 0.0016% (0.01 1.0 1.00 0.02 0.02) = 0.002% Peak 685 (2.93, 3.96, 58.29 ppm): 10 chemical-shift based assignments, quality = 0.789, support = 4.11, residual support = 88.8: * T QE LYS+ 65 - HA LYS+ 65 10.000% * 82.9690% (0.84 10.00 4.87 106.91) = 82.969% kept T QE LYS+ 33 - HA LYS+ 65 10.000% * 14.6483% (0.65 10.00 0.45 0.98) = 14.648% kept T QE LYS+ 65 - HA LYS+ 121 10.000% * 1.2277% (0.05 10.00 0.48 0.02) = 1.228% kept T HB2 ASN 28 - HA LYS+ 65 10.000% * 0.7659% (0.77 10.00 0.02 0.02) = 0.766% T HB2 ASN 35 - HA LYS+ 65 10.000% * 0.2694% (0.27 10.00 0.02 0.02) = 0.269% HB2 ASP- 86 - HA LYS+ 65 10.000% * 0.0693% (0.70 1.00 0.02 0.02) = 0.069% T QE LYS+ 33 - HA LYS+ 121 10.000% * 0.0398% (0.04 10.00 0.02 0.02) = 0.040% HB2 ASN 28 - HA LYS+ 121 10.000% * 0.0047% (0.05 1.00 0.02 0.02) = 0.005% HB2 ASP- 86 - HA LYS+ 121 10.000% * 0.0042% (0.04 1.00 0.02 0.02) = 0.004% HB2 ASN 35 - HA LYS+ 121 10.000% * 0.0016% (0.02 1.00 0.02 0.02) = 0.002% Peak 686 (3.96, 1.80, 33.13 ppm): 8 chemical-shift based assignments, quality = 0.829, support = 6.0, residual support = 106.1: * O T HA LYS+ 65 - QB LYS+ 65 12.500% * 99.2127% (0.84 10.0 10.00 6.05 106.91) = 99.213% kept T HA LYS+ 121 - QB LYS+ 65 12.500% * 0.3303% (0.28 1.0 10.00 0.02 0.02) = 0.330% QB SER 85 - QB LYS+ 65 12.500% * 0.1096% (0.92 1.0 1.00 0.02 0.02) = 0.110% HA2 GLY 16 - QB LYS+ 65 12.500% * 0.1096% (0.92 1.0 1.00 0.02 0.02) = 0.110% HA ALA 120 - QB LYS+ 65 12.500% * 0.1048% (0.88 1.0 1.00 0.02 0.02) = 0.105% QB SER 48 - QB LYS+ 65 12.500% * 0.0649% (0.55 1.0 1.00 0.02 0.02) = 0.065% HB THR 94 - QB LYS+ 65 12.500% * 0.0446% (0.38 1.0 1.00 0.02 0.02) = 0.045% HA2 GLY 51 - QB LYS+ 65 12.500% * 0.0235% (0.20 1.0 1.00 0.02 0.02) = 0.024% 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 = 0.828, support = 4.7, residual support = 78.4: * O T HG2 LYS+ 65 - QB LYS+ 65 20.000% * 65.8402% (1.00 10.0 10.00 4.92 106.91) = 65.840% kept T QD LYS+ 66 - QB LYS+ 65 20.000% * 32.0479% (0.49 1.0 10.00 4.54 24.95) = 32.048% kept QG2 THR 26 - QB LYS+ 65 20.000% * 1.4226% (0.98 1.0 1.00 0.44 0.29) = 1.423% kept T HD2 LYS+ 121 - QB LYS+ 65 20.000% * 0.6454% (0.98 1.0 10.00 0.02 0.02) = 0.645% HB2 LYS+ 74 - QB LYS+ 65 20.000% * 0.0439% (0.67 1.0 1.00 0.02 0.02) = 0.044% Peak 691 (1.66, 1.80, 33.13 ppm): 6 chemical-shift based assignments, quality = 0.987, support = 4.93, residual support = 105.5: * O T QD LYS+ 65 - QB LYS+ 65 16.667% * 98.6791% (1.00 10.0 10.00 5.00 106.91) = 98.679% kept T QD LYS+ 38 - QB LYS+ 65 16.667% * 0.8242% (0.84 1.0 10.00 0.02 0.02) = 0.824% T QD LYS+ 102 - QB LYS+ 65 16.667% * 0.2744% (0.28 1.0 10.00 0.02 0.02) = 0.274% HB2 LYS+ 121 - QB LYS+ 65 16.667% * 0.0982% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB VAL 83 - QB LYS+ 65 16.667% * 0.0967% (0.98 1.0 1.00 0.02 0.02) = 0.097% HD2 LYS+ 74 - QB LYS+ 65 16.667% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 692 (2.93, 1.80, 33.13 ppm): 5 chemical-shift based assignments, quality = 0.962, support = 4.36, residual support = 89.2: * T QE LYS+ 65 - QB LYS+ 65 20.000% * 83.3017% (1.00 10.00 5.13 106.91) = 83.302% kept T QE LYS+ 33 - QB LYS+ 65 20.000% * 16.5248% (0.78 10.00 0.51 0.98) = 16.525% kept HB2 ASN 28 - QB LYS+ 65 20.000% * 0.0769% (0.92 1.00 0.02 0.02) = 0.077% HB2 ASP- 86 - QB LYS+ 65 20.000% * 0.0696% (0.84 1.00 0.02 0.02) = 0.070% HB2 ASN 35 - QB LYS+ 65 20.000% * 0.0270% (0.32 1.00 0.02 0.02) = 0.027% Peak 700 (3.96, 1.50, 25.13 ppm): 8 chemical-shift based assignments, quality = 0.794, support = 4.27, residual support = 99.2: * O T HA LYS+ 65 - HG2 LYS+ 65 12.500% * 92.8262% (0.84 10.0 10.00 4.57 106.91) = 92.826% kept T HA LYS+ 121 - HG2 LYS+ 65 12.500% * 6.7462% (0.28 1.0 10.00 0.44 0.02) = 6.746% kept QB SER 85 - HG2 LYS+ 65 12.500% * 0.1026% (0.92 1.0 1.00 0.02 0.02) = 0.103% HA2 GLY 16 - HG2 LYS+ 65 12.500% * 0.1026% (0.92 1.0 1.00 0.02 0.02) = 0.103% HA ALA 120 - HG2 LYS+ 65 12.500% * 0.0981% (0.88 1.0 1.00 0.02 0.02) = 0.098% QB SER 48 - HG2 LYS+ 65 12.500% * 0.0607% (0.55 1.0 1.00 0.02 0.02) = 0.061% HB THR 94 - HG2 LYS+ 65 12.500% * 0.0417% (0.38 1.0 1.00 0.02 0.02) = 0.042% HA2 GLY 51 - HG2 LYS+ 65 12.500% * 0.0220% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 701 (1.80, 1.50, 25.13 ppm): 6 chemical-shift based assignments, quality = 0.841, support = 4.62, residual support = 88.9: * O T QB LYS+ 65 - HG2 LYS+ 65 16.667% * 78.0652% (1.00 10.0 10.00 4.92 106.91) = 78.065% kept T QB LYS+ 66 - HG2 LYS+ 65 16.667% * 21.7050% (0.28 1.0 10.00 3.57 24.95) = 21.705% kept HB2 LEU 71 - HG2 LYS+ 65 16.667% * 0.0777% (1.00 1.0 1.00 0.02 0.02) = 0.078% QB LYS+ 102 - HG2 LYS+ 65 16.667% * 0.0746% (0.96 1.0 1.00 0.02 0.02) = 0.075% HG2 PRO 93 - HG2 LYS+ 65 16.667% * 0.0521% (0.67 1.0 1.00 0.02 0.95) = 0.052% HB3 GLN 17 - HG2 LYS+ 65 16.667% * 0.0253% (0.32 1.0 1.00 0.02 0.02) = 0.025% 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): 6 chemical-shift based assignments, quality = 0.976, support = 3.86, residual support = 104.3: * O T QD LYS+ 65 - HG2 LYS+ 65 16.667% * 97.5758% (1.00 10.0 10.00 3.96 106.91) = 97.576% kept T HB2 LYS+ 121 - HG2 LYS+ 65 16.667% * 0.9709% (1.00 1.0 10.00 0.02 0.02) = 0.971% T QD LYS+ 38 - HG2 LYS+ 65 16.667% * 0.8150% (0.84 1.0 10.00 0.02 0.02) = 0.815% T QD LYS+ 102 - HG2 LYS+ 65 16.667% * 0.2713% (0.28 1.0 10.00 0.02 0.02) = 0.271% T HD2 LYS+ 74 - HG2 LYS+ 65 16.667% * 0.2713% (0.28 1.0 10.00 0.02 0.02) = 0.271% HB VAL 83 - HG2 LYS+ 65 16.667% * 0.0956% (0.98 1.0 1.00 0.02 0.02) = 0.096% Peak 706 (2.93, 1.50, 25.13 ppm): 5 chemical-shift based assignments, quality = 0.942, support = 3.26, residual support = 79.9: * O T QE LYS+ 65 - HG2 LYS+ 65 20.000% * 74.4714% (1.00 10.0 10.00 4.08 106.91) = 74.471% kept T QE LYS+ 33 - HG2 LYS+ 65 20.000% * 25.1751% (0.78 1.0 10.00 0.86 0.98) = 25.175% kept HB2 ASN 28 - HG2 LYS+ 65 20.000% * 0.2671% (0.92 1.0 1.00 0.08 0.02) = 0.267% HB2 ASP- 86 - HG2 LYS+ 65 20.000% * 0.0622% (0.84 1.0 1.00 0.02 0.02) = 0.062% HB2 ASN 35 - HG2 LYS+ 65 20.000% * 0.0242% (0.32 1.0 1.00 0.02 0.02) = 0.024% Peak 707 (3.96, 1.66, 29.54 ppm): 24 chemical-shift based assignments, quality = 0.815, support = 4.6, residual support = 103.8: * T HA LYS+ 65 - QD LYS+ 65 4.167% * 97.0733% (0.84 10.00 4.74 106.91) = 97.073% kept T HA LYS+ 121 - QD LYS+ 65 4.167% * 1.6029% (0.28 10.00 0.10 0.02) = 1.603% kept HA ALA 120 - QD LYS+ 65 4.167% * 0.4753% (0.88 1.00 0.09 0.02) = 0.475% T HA LYS+ 65 - QD LYS+ 38 4.167% * 0.1605% (0.14 10.00 0.02 0.02) = 0.160% T HA LYS+ 65 - QD LYS+ 102 4.167% * 0.1205% (0.10 10.00 0.02 0.02) = 0.120% HA2 GLY 16 - QD LYS+ 65 4.167% * 0.1073% (0.92 1.00 0.02 0.02) = 0.107% QB SER 85 - QD LYS+ 65 4.167% * 0.1073% (0.92 1.00 0.02 0.02) = 0.107% QB SER 48 - QD LYS+ 65 4.167% * 0.0635% (0.55 1.00 0.02 0.02) = 0.063% T HA LYS+ 121 - QD LYS+ 38 4.167% * 0.0534% (0.05 10.00 0.02 0.02) = 0.053% HB THR 94 - QD LYS+ 65 4.167% * 0.0436% (0.38 1.00 0.02 0.02) = 0.044% T HA LYS+ 121 - QD LYS+ 102 4.167% * 0.0401% (0.03 10.00 0.02 0.02) = 0.040% HA2 GLY 51 - QD LYS+ 65 4.167% * 0.0230% (0.20 1.00 0.02 0.02) = 0.023% QB SER 85 - QD LYS+ 38 4.167% * 0.0177% (0.15 1.00 0.02 0.02) = 0.018% HA2 GLY 16 - QD LYS+ 38 4.167% * 0.0177% (0.15 1.00 0.02 0.02) = 0.018% HA ALA 120 - QD LYS+ 38 4.167% * 0.0170% (0.15 1.00 0.02 0.02) = 0.017% HA2 GLY 16 - QD LYS+ 102 4.167% * 0.0133% (0.11 1.00 0.02 0.02) = 0.013% QB SER 85 - QD LYS+ 102 4.167% * 0.0133% (0.11 1.00 0.02 0.02) = 0.013% HA ALA 120 - QD LYS+ 102 4.167% * 0.0127% (0.11 1.00 0.02 0.02) = 0.013% QB SER 48 - QD LYS+ 38 4.167% * 0.0105% (0.09 1.00 0.02 0.02) = 0.010% QB SER 48 - QD LYS+ 102 4.167% * 0.0079% (0.07 1.00 0.02 0.02) = 0.008% HB THR 94 - QD LYS+ 38 4.167% * 0.0072% (0.06 1.00 0.02 0.02) = 0.007% HB THR 94 - QD LYS+ 102 4.167% * 0.0054% (0.05 1.00 0.02 0.02) = 0.005% HA2 GLY 51 - QD LYS+ 38 4.167% * 0.0038% (0.03 1.00 0.02 0.02) = 0.004% HA2 GLY 51 - QD LYS+ 102 4.167% * 0.0029% (0.02 1.00 0.02 0.02) = 0.003% Peak 708 (1.80, 1.66, 29.54 ppm): 18 chemical-shift based assignments, quality = 0.851, support = 4.75, residual support = 101.8: * O T QB LYS+ 65 - QD LYS+ 65 5.556% * 82.3776% (1.00 10.0 10.00 5.00 106.91) = 82.378% kept O T QB LYS+ 102 - QD LYS+ 102 5.556% * 9.7753% (0.12 10.0 10.00 4.72 128.82) = 9.775% kept QB LYS+ 66 - QD LYS+ 65 5.556% * 4.3497% (0.28 1.0 1.00 3.80 24.95) = 4.350% kept T QB LYS+ 102 - QD LYS+ 38 5.556% * 2.1923% (0.16 1.0 10.00 0.34 0.66) = 2.192% kept T QB LYS+ 102 - QD LYS+ 65 5.556% * 0.7875% (0.96 1.0 10.00 0.02 0.02) = 0.788% T QB LYS+ 65 - QD LYS+ 38 5.556% * 0.1362% (0.17 1.0 10.00 0.02 0.02) = 0.136% T QB LYS+ 65 - QD LYS+ 102 5.556% * 0.1023% (0.12 1.0 10.00 0.02 0.02) = 0.102% HB2 LEU 71 - QD LYS+ 65 5.556% * 0.0820% (1.00 1.0 1.00 0.02 0.02) = 0.082% T HG2 PRO 93 - QD LYS+ 102 5.556% * 0.0682% (0.08 1.0 10.00 0.02 0.02) = 0.068% HG2 PRO 93 - QD LYS+ 65 5.556% * 0.0549% (0.67 1.0 1.00 0.02 0.95) = 0.055% HB3 GLN 17 - QD LYS+ 65 5.556% * 0.0267% (0.32 1.0 1.00 0.02 0.02) = 0.027% HB2 LEU 71 - QD LYS+ 38 5.556% * 0.0135% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 71 - QD LYS+ 102 5.556% * 0.0102% (0.12 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 93 - QD LYS+ 38 5.556% * 0.0091% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB3 GLN 17 - QD LYS+ 38 5.556% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB LYS+ 66 - QD LYS+ 38 5.556% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB3 GLN 17 - QD LYS+ 102 5.556% * 0.0033% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB LYS+ 66 - QD LYS+ 102 5.556% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 710 (1.50, 1.66, 29.54 ppm): 15 chemical-shift based assignments, quality = 0.841, support = 3.43, residual support = 70.6: * O T HG2 LYS+ 65 - QD LYS+ 65 6.667% * 59.3013% (1.00 10.0 10.00 3.96 106.91) = 59.301% kept T QD LYS+ 66 - QD LYS+ 65 6.667% * 28.8650% (0.49 1.0 10.00 3.61 24.95) = 28.865% kept T HD2 LYS+ 121 - QD LYS+ 65 6.667% * 10.9283% (0.98 1.0 10.00 0.38 0.02) = 10.928% kept T HB2 LYS+ 74 - QD LYS+ 65 6.667% * 0.3955% (0.67 1.0 10.00 0.02 0.02) = 0.396% T HG2 LYS+ 65 - QD LYS+ 38 6.667% * 0.0980% (0.17 1.0 10.00 0.02 0.02) = 0.098% T HD2 LYS+ 121 - QD LYS+ 38 6.667% * 0.0961% (0.16 1.0 10.00 0.02 0.02) = 0.096% T HG2 LYS+ 65 - QD LYS+ 102 6.667% * 0.0736% (0.12 1.0 10.00 0.02 0.02) = 0.074% T HD2 LYS+ 121 - QD LYS+ 102 6.667% * 0.0722% (0.12 1.0 10.00 0.02 0.02) = 0.072% QG2 THR 26 - QD LYS+ 65 6.667% * 0.0581% (0.98 1.0 1.00 0.02 0.29) = 0.058% T QD LYS+ 66 - QD LYS+ 38 6.667% * 0.0477% (0.08 1.0 10.00 0.02 0.02) = 0.048% T QD LYS+ 66 - QD LYS+ 102 6.667% * 0.0358% (0.06 1.0 10.00 0.02 0.02) = 0.036% QG2 THR 26 - QD LYS+ 38 6.667% * 0.0096% (0.16 1.0 1.00 0.02 0.02) = 0.010% QG2 THR 26 - QD LYS+ 102 6.667% * 0.0072% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 74 - QD LYS+ 38 6.667% * 0.0065% (0.11 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 74 - QD LYS+ 102 6.667% * 0.0049% (0.08 1.0 1.00 0.02 0.02) = 0.005% Peak 712 (1.66, 1.66, 29.54 ppm): 3 diagonal assignments: * QD LYS+ 65 - QD LYS+ 65 (1.00) kept QD LYS+ 38 - QD LYS+ 38 (0.14) kept QD LYS+ 102 - QD LYS+ 102 (0.03) kept Peak 713 (2.93, 1.66, 29.54 ppm): 15 chemical-shift based assignments, quality = 0.947, support = 3.35, residual support = 83.3: * O T QE LYS+ 65 - QD LYS+ 65 6.667% * 77.7125% (1.00 10.0 10.00 4.12 106.91) = 77.713% kept T QE LYS+ 33 - QD LYS+ 65 6.667% * 21.6778% (0.78 1.0 10.00 0.71 0.98) = 21.678% kept T QE LYS+ 65 - QD LYS+ 38 6.667% * 0.1285% (0.17 1.0 10.00 0.02 0.02) = 0.128% T QE LYS+ 33 - QD LYS+ 38 6.667% * 0.1005% (0.13 1.0 10.00 0.02 0.02) = 0.101% T QE LYS+ 65 - QD LYS+ 102 6.667% * 0.0965% (0.12 1.0 10.00 0.02 0.02) = 0.096% T QE LYS+ 33 - QD LYS+ 102 6.667% * 0.0755% (0.10 1.0 10.00 0.02 0.02) = 0.076% HB2 ASN 28 - QD LYS+ 65 6.667% * 0.0717% (0.92 1.0 1.00 0.02 0.02) = 0.072% HB2 ASP- 86 - QD LYS+ 65 6.667% * 0.0649% (0.84 1.0 1.00 0.02 0.02) = 0.065% HB2 ASN 35 - QD LYS+ 65 6.667% * 0.0252% (0.32 1.0 1.00 0.02 0.02) = 0.025% HB2 ASN 28 - QD LYS+ 38 6.667% * 0.0119% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB2 ASP- 86 - QD LYS+ 38 6.667% * 0.0107% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB2 ASN 28 - QD LYS+ 102 6.667% * 0.0089% (0.11 1.0 1.00 0.02 0.02) = 0.009% HB2 ASP- 86 - QD LYS+ 102 6.667% * 0.0081% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB2 ASN 35 - QD LYS+ 38 6.667% * 0.0042% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 ASN 35 - QD LYS+ 102 6.667% * 0.0031% (0.04 1.0 1.00 0.02 0.48) = 0.003% Peak 721 (3.96, 2.93, 42.22 ppm): 16 chemical-shift based assignments, quality = 0.753, support = 4.16, residual support = 89.9: * T HA LYS+ 65 - QE LYS+ 65 6.250% * 84.0486% (0.84 10.00 4.87 106.91) = 84.049% kept T HA LYS+ 65 - QE LYS+ 33 6.250% * 8.5058% (0.37 10.00 0.45 0.98) = 8.506% kept T HA LYS+ 121 - QE LYS+ 65 6.250% * 6.7592% (0.28 10.00 0.48 0.02) = 6.759% kept T HA LYS+ 121 - QE LYS+ 33 6.250% * 0.1255% (0.12 10.00 0.02 0.02) = 0.126% HA2 GLY 16 - QE LYS+ 65 6.250% * 0.0929% (0.92 1.00 0.02 0.02) = 0.093% QB SER 85 - QE LYS+ 65 6.250% * 0.0929% (0.92 1.00 0.02 0.02) = 0.093% HA ALA 120 - QE LYS+ 65 6.250% * 0.0888% (0.88 1.00 0.02 0.02) = 0.089% QB SER 48 - QE LYS+ 65 6.250% * 0.0549% (0.55 1.00 0.02 0.02) = 0.055% QB SER 85 - QE LYS+ 33 6.250% * 0.0417% (0.41 1.00 0.02 0.02) = 0.042% HA2 GLY 16 - QE LYS+ 33 6.250% * 0.0417% (0.41 1.00 0.02 0.02) = 0.042% HA ALA 120 - QE LYS+ 33 6.250% * 0.0398% (0.40 1.00 0.02 0.02) = 0.040% HB THR 94 - QE LYS+ 65 6.250% * 0.0378% (0.38 1.00 0.02 0.02) = 0.038% QB SER 48 - QE LYS+ 33 6.250% * 0.0247% (0.24 1.00 0.02 0.02) = 0.025% HA2 GLY 51 - QE LYS+ 65 6.250% * 0.0199% (0.20 1.00 0.02 0.02) = 0.020% HB THR 94 - QE LYS+ 33 6.250% * 0.0169% (0.17 1.00 0.02 0.02) = 0.017% HA2 GLY 51 - QE LYS+ 33 6.250% * 0.0089% (0.09 1.00 0.02 0.02) = 0.009% Peak 722 (1.80, 2.93, 42.22 ppm): 12 chemical-shift based assignments, quality = 0.908, support = 4.6, residual support = 92.3: * T QB LYS+ 65 - QE LYS+ 65 8.333% * 85.1618% (1.00 10.00 5.13 106.91) = 85.162% kept T QB LYS+ 65 - QE LYS+ 33 8.333% * 9.6836% (0.45 10.00 0.51 0.98) = 9.684% kept QB LYS+ 66 - QE LYS+ 65 8.333% * 4.6193% (0.28 1.00 3.90 24.95) = 4.619% kept HG2 PRO 93 - QE LYS+ 65 8.333% * 0.2184% (0.67 1.00 0.08 0.95) = 0.218% HB2 LEU 71 - QE LYS+ 65 8.333% * 0.0847% (1.00 1.00 0.02 0.02) = 0.085% QB LYS+ 102 - QE LYS+ 65 8.333% * 0.0814% (0.96 1.00 0.02 0.02) = 0.081% HB2 LEU 71 - QE LYS+ 33 8.333% * 0.0380% (0.45 1.00 0.02 0.02) = 0.038% QB LYS+ 102 - QE LYS+ 33 8.333% * 0.0365% (0.43 1.00 0.02 0.02) = 0.037% HB3 GLN 17 - QE LYS+ 65 8.333% * 0.0276% (0.32 1.00 0.02 0.02) = 0.028% HG2 PRO 93 - QE LYS+ 33 8.333% * 0.0255% (0.30 1.00 0.02 0.02) = 0.025% HB3 GLN 17 - QE LYS+ 33 8.333% * 0.0124% (0.15 1.00 0.02 0.02) = 0.012% QB LYS+ 66 - QE LYS+ 33 8.333% * 0.0106% (0.12 1.00 0.02 0.02) = 0.011% Peak 724 (1.50, 2.93, 42.22 ppm): 10 chemical-shift based assignments, quality = 0.877, support = 3.57, residual support = 84.7: * O T HG2 LYS+ 65 - QE LYS+ 65 10.000% * 77.3751% (1.00 10.0 10.00 4.08 106.91) = 77.375% kept T HG2 LYS+ 65 - QE LYS+ 33 10.000% * 14.9932% (0.45 1.0 10.00 0.86 0.98) = 14.993% kept QD LYS+ 66 - QE LYS+ 65 10.000% * 7.3203% (0.49 1.0 1.00 3.89 24.95) = 7.320% kept HD2 LYS+ 121 - QE LYS+ 65 10.000% * 0.0758% (0.98 1.0 1.00 0.02 0.02) = 0.076% QG2 THR 26 - QE LYS+ 65 10.000% * 0.0758% (0.98 1.0 1.00 0.02 0.29) = 0.076% HB2 LYS+ 74 - QE LYS+ 65 10.000% * 0.0516% (0.67 1.0 1.00 0.02 0.02) = 0.052% HD2 LYS+ 121 - QE LYS+ 33 10.000% * 0.0340% (0.44 1.0 1.00 0.02 0.02) = 0.034% QG2 THR 26 - QE LYS+ 33 10.000% * 0.0340% (0.44 1.0 1.00 0.02 0.02) = 0.034% HB2 LYS+ 74 - QE LYS+ 33 10.000% * 0.0232% (0.30 1.0 1.00 0.02 0.02) = 0.023% QD LYS+ 66 - QE LYS+ 33 10.000% * 0.0169% (0.22 1.0 1.00 0.02 0.02) = 0.017% Peak 726 (1.66, 2.93, 42.22 ppm): 12 chemical-shift based assignments, quality = 0.909, support = 3.59, residual support = 90.8: * O T QD LYS+ 65 - QE LYS+ 65 8.333% * 84.7970% (1.00 10.0 10.00 4.12 106.91) = 84.797% kept T QD LYS+ 65 - QE LYS+ 33 8.333% * 13.5586% (0.45 1.0 10.00 0.71 0.98) = 13.559% kept T QD LYS+ 38 - QE LYS+ 65 8.333% * 0.7083% (0.84 1.0 10.00 0.02 0.02) = 0.708% T QD LYS+ 38 - QE LYS+ 33 8.333% * 0.3178% (0.37 1.0 10.00 0.02 0.02) = 0.318% T QD LYS+ 102 - QE LYS+ 65 8.333% * 0.2358% (0.28 1.0 10.00 0.02 0.02) = 0.236% T QD LYS+ 102 - QE LYS+ 33 8.333% * 0.1058% (0.12 1.0 10.00 0.02 0.02) = 0.106% HB2 LYS+ 121 - QE LYS+ 65 8.333% * 0.0844% (1.00 1.0 1.00 0.02 0.02) = 0.084% HB VAL 83 - QE LYS+ 65 8.333% * 0.0831% (0.98 1.0 1.00 0.02 0.02) = 0.083% HB2 LYS+ 121 - QE LYS+ 33 8.333% * 0.0379% (0.45 1.0 1.00 0.02 0.02) = 0.038% HB VAL 83 - QE LYS+ 33 8.333% * 0.0373% (0.44 1.0 1.00 0.02 0.21) = 0.037% HD2 LYS+ 74 - QE LYS+ 65 8.333% * 0.0236% (0.28 1.0 1.00 0.02 0.02) = 0.024% HD2 LYS+ 74 - QE LYS+ 33 8.333% * 0.0106% (0.12 1.0 1.00 0.02 0.02) = 0.011% 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 (0.35) 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 = 0.941, support = 4.73, residual support = 79.8: * O T QB LYS+ 66 - HA LYS+ 66 11.111% * 89.8550% (1.00 10.0 10.00 4.89 87.00) = 89.855% kept QB LYS+ 65 - HA LYS+ 66 11.111% * 6.2997% (0.28 1.0 1.00 5.04 24.95) = 6.300% kept HB VAL 41 - HA LYS+ 66 11.111% * 2.7796% (0.88 1.0 1.00 0.70 0.54) = 2.780% kept HG2 PRO 93 - HA LYS+ 66 11.111% * 0.8961% (0.78 1.0 1.00 0.25 0.02) = 0.896% HG12 ILE 103 - HA LYS+ 66 11.111% * 0.0599% (0.67 1.0 1.00 0.02 0.02) = 0.060% QB LYS+ 102 - HA LYS+ 66 11.111% * 0.0386% (0.43 1.0 1.00 0.02 0.02) = 0.039% HB3 PRO 52 - HA LYS+ 66 11.111% * 0.0250% (0.28 1.0 1.00 0.02 0.02) = 0.025% HG LEU 123 - HA LYS+ 66 11.111% * 0.0250% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB2 LEU 71 - HA LYS+ 66 11.111% * 0.0212% (0.24 1.0 1.00 0.02 0.02) = 0.021% Peak 731 (1.44, 4.07, 57.65 ppm): 10 chemical-shift based assignments, quality = 0.983, support = 3.91, residual support = 78.2: * O T QG LYS+ 66 - HA LYS+ 66 10.000% * 88.2572% (1.00 10.0 10.00 4.05 87.00) = 88.257% kept HB3 LEU 67 - HA LYS+ 66 10.000% * 11.4244% (0.88 1.0 1.00 2.93 11.99) = 11.424% kept HG LEU 73 - HA LYS+ 66 10.000% * 0.0779% (0.88 1.0 1.00 0.02 0.02) = 0.078% HG2 LYS+ 102 - HA LYS+ 66 10.000% * 0.0641% (0.73 1.0 1.00 0.02 0.02) = 0.064% QB ALA 61 - HA LYS+ 66 10.000% * 0.0589% (0.67 1.0 1.00 0.02 0.02) = 0.059% HG LEU 80 - HA LYS+ 66 10.000% * 0.0331% (0.38 1.0 1.00 0.02 0.02) = 0.033% QB ALA 110 - HA LYS+ 66 10.000% * 0.0287% (0.32 1.0 1.00 0.02 0.02) = 0.029% HG12 ILE 19 - HA LYS+ 66 10.000% * 0.0208% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 115 - HA LYS+ 66 10.000% * 0.0175% (0.20 1.0 1.00 0.02 0.18) = 0.017% HG LEU 40 - HA LYS+ 66 10.000% * 0.0175% (0.20 1.0 1.00 0.02 0.28) = 0.017% Peak 732 (1.51, 4.07, 57.65 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 4.01, residual support = 81.3: * T QD LYS+ 66 - HA LYS+ 66 12.500% * 91.1552% (1.00 10.00 4.07 87.00) = 91.155% kept HG2 LYS+ 65 - HA LYS+ 66 12.500% * 8.1325% (0.49 1.00 3.67 24.95) = 8.133% kept T HD2 LYS+ 121 - HA LYS+ 66 12.500% * 0.5529% (0.61 10.00 0.02 0.02) = 0.553% HB3 LYS+ 121 - HA LYS+ 66 12.500% * 0.0392% (0.43 1.00 0.02 0.02) = 0.039% HG LEU 104 - HA LYS+ 66 12.500% * 0.0392% (0.43 1.00 0.02 0.02) = 0.039% QG2 THR 26 - HA LYS+ 66 12.500% * 0.0342% (0.38 1.00 0.02 0.02) = 0.034% HB3 LYS+ 111 - HA LYS+ 66 12.500% * 0.0253% (0.28 1.00 0.02 0.02) = 0.025% HD3 LYS+ 74 - HA LYS+ 66 12.500% * 0.0215% (0.24 1.00 0.02 0.02) = 0.021% Peak 733 (2.87, 4.07, 57.65 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.36, residual support = 86.9: * T QE LYS+ 66 - HA LYS+ 66 50.000% * 99.9274% (1.00 10.00 4.37 87.00) = 99.927% kept HB3 ASN 35 - HA LYS+ 66 50.000% * 0.0726% (0.73 1.00 0.02 0.02) = 0.073% Peak 734 (4.07, 1.82, 33.88 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.89, residual support = 87.0: * O T HA LYS+ 66 - QB LYS+ 66 100.000% *100.0000% (1.00 10.0 10.00 4.89 87.00) = 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): 10 chemical-shift based assignments, quality = 0.979, support = 3.81, residual support = 78.7: * O T QG LYS+ 66 - QB LYS+ 66 10.000% * 89.1397% (1.00 10.0 10.00 4.00 87.00) = 89.140% kept HB3 LEU 67 - QB LYS+ 66 10.000% * 9.9562% (0.88 1.0 1.00 2.53 11.99) = 9.956% kept T HG2 LYS+ 102 - QB LYS+ 66 10.000% * 0.6473% (0.73 1.0 10.00 0.02 0.02) = 0.647% HG LEU 73 - QB LYS+ 66 10.000% * 0.0787% (0.88 1.0 1.00 0.02 0.02) = 0.079% QB ALA 61 - QB LYS+ 66 10.000% * 0.0595% (0.67 1.0 1.00 0.02 0.02) = 0.059% HG LEU 80 - QB LYS+ 66 10.000% * 0.0335% (0.38 1.0 1.00 0.02 0.02) = 0.033% QB ALA 110 - QB LYS+ 66 10.000% * 0.0289% (0.32 1.0 1.00 0.02 0.02) = 0.029% HG12 ILE 19 - QB LYS+ 66 10.000% * 0.0210% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 115 - QB LYS+ 66 10.000% * 0.0176% (0.20 1.0 1.00 0.02 0.18) = 0.018% HG LEU 40 - QB LYS+ 66 10.000% * 0.0176% (0.20 1.0 1.00 0.02 0.28) = 0.018% Peak 738 (1.51, 1.82, 33.88 ppm): 8 chemical-shift based assignments, quality = 0.828, support = 3.85, residual support = 66.3: * O T QD LYS+ 66 - QB LYS+ 66 12.500% * 66.9091% (1.00 10.0 10.00 4.02 87.00) = 66.909% kept T HG2 LYS+ 65 - QB LYS+ 66 12.500% * 32.5681% (0.49 1.0 10.00 3.57 24.95) = 32.568% kept T HD2 LYS+ 121 - QB LYS+ 66 12.500% * 0.4058% (0.61 1.0 10.00 0.02 0.02) = 0.406% HB3 LYS+ 121 - QB LYS+ 66 12.500% * 0.0287% (0.43 1.0 1.00 0.02 0.02) = 0.029% HG LEU 104 - QB LYS+ 66 12.500% * 0.0287% (0.43 1.0 1.00 0.02 0.02) = 0.029% QG2 THR 26 - QB LYS+ 66 12.500% * 0.0251% (0.38 1.0 1.00 0.02 0.02) = 0.025% HB3 LYS+ 111 - QB LYS+ 66 12.500% * 0.0186% (0.28 1.0 1.00 0.02 0.02) = 0.019% HD3 LYS+ 74 - QB LYS+ 66 12.500% * 0.0158% (0.24 1.0 1.00 0.02 0.02) = 0.016% Peak 739 (2.87, 1.82, 33.88 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.24, residual support = 86.9: * T QE LYS+ 66 - QB LYS+ 66 50.000% * 99.9274% (1.00 10.00 4.24 87.00) = 99.927% kept HB3 ASN 35 - QB LYS+ 66 50.000% * 0.0726% (0.73 1.00 0.02 0.02) = 0.073% Peak 746 (4.07, 1.44, 25.66 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.05, residual support = 87.0: * O T HA LYS+ 66 - QG LYS+ 66 100.000% *100.0000% (1.00 10.0 10.00 4.05 87.00) = 100.000% kept Peak 747 (1.82, 1.44, 25.66 ppm): 9 chemical-shift based assignments, quality = 0.939, support = 3.59, residual support = 73.0: * O T QB LYS+ 66 - QG LYS+ 66 11.111% * 82.2958% (1.00 10.0 10.00 4.00 87.00) = 82.296% kept T HB VAL 41 - QG LYS+ 66 11.111% * 11.4453% (0.88 1.0 10.00 0.32 0.54) = 11.445% kept QB LYS+ 65 - QG LYS+ 66 11.111% * 5.5258% (0.28 1.0 1.00 4.83 24.95) = 5.526% kept T QB LYS+ 102 - QG LYS+ 66 11.111% * 0.3535% (0.43 1.0 10.00 0.02 0.02) = 0.354% HG2 PRO 93 - QG LYS+ 66 11.111% * 0.2595% (0.78 1.0 1.00 0.08 0.02) = 0.260% HG12 ILE 103 - QG LYS+ 66 11.111% * 0.0549% (0.67 1.0 1.00 0.02 0.02) = 0.055% HB3 PRO 52 - QG LYS+ 66 11.111% * 0.0229% (0.28 1.0 1.00 0.02 0.02) = 0.023% HG LEU 123 - QG LYS+ 66 11.111% * 0.0229% (0.28 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 71 - QG LYS+ 66 11.111% * 0.0194% (0.24 1.0 1.00 0.02 0.02) = 0.019% Peak 749 (1.44, 1.44, 25.66 ppm): 1 diagonal assignment: * QG LYS+ 66 - QG LYS+ 66 (1.00) kept Peak 750 (1.51, 1.44, 25.66 ppm): 8 chemical-shift based assignments, quality = 0.951, support = 3.34, residual support = 81.3: * O T QD LYS+ 66 - QG LYS+ 66 12.500% * 91.1312% (1.00 10.0 10.00 3.34 87.00) = 91.131% kept HG2 LYS+ 65 - QG LYS+ 66 12.500% * 8.1567% (0.49 1.0 1.00 3.68 24.95) = 8.157% kept T HD2 LYS+ 121 - QG LYS+ 66 12.500% * 0.5527% (0.61 1.0 10.00 0.02 0.02) = 0.553% HB3 LYS+ 121 - QG LYS+ 66 12.500% * 0.0391% (0.43 1.0 1.00 0.02 0.02) = 0.039% HG LEU 104 - QG LYS+ 66 12.500% * 0.0391% (0.43 1.0 1.00 0.02 0.02) = 0.039% QG2 THR 26 - QG LYS+ 66 12.500% * 0.0342% (0.38 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 111 - QG LYS+ 66 12.500% * 0.0253% (0.28 1.0 1.00 0.02 0.02) = 0.025% HD3 LYS+ 74 - QG LYS+ 66 12.500% * 0.0215% (0.24 1.0 1.00 0.02 0.02) = 0.021% Peak 751 (2.87, 1.44, 25.66 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.58, residual support = 86.9: * O T QE LYS+ 66 - QG LYS+ 66 50.000% * 99.9274% (1.00 10.0 10.00 3.58 87.00) = 99.927% kept HB3 ASN 35 - QG LYS+ 66 50.000% * 0.0726% (0.73 1.0 1.00 0.02 0.02) = 0.073% Peak 752 (4.07, 1.51, 29.56 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.06, residual support = 86.9: * T HA LYS+ 66 - QD LYS+ 66 50.000% * 99.9059% (1.00 10.00 4.07 87.00) = 99.906% kept T HA LYS+ 66 - HD2 LYS+ 121 50.000% * 0.0941% (0.09 10.00 0.02 0.02) = 0.094% Peak 753 (1.82, 1.51, 29.56 ppm): 18 chemical-shift based assignments, quality = 0.839, support = 4.07, residual support = 72.3: * O T QB LYS+ 66 - QD LYS+ 66 5.556% * 76.9862% (1.00 10.0 10.00 4.02 87.00) = 76.986% kept T QB LYS+ 65 - QD LYS+ 66 5.556% * 21.4050% (0.28 1.0 10.00 4.54 24.95) = 21.405% kept HB VAL 41 - QD LYS+ 66 5.556% * 1.1022% (0.88 1.0 1.00 0.32 0.54) = 1.102% kept HG2 PRO 93 - QD LYS+ 66 5.556% * 0.2428% (0.78 1.0 1.00 0.08 0.02) = 0.243% T QB LYS+ 66 - HD2 LYS+ 121 5.556% * 0.0725% (0.09 1.0 10.00 0.02 0.02) = 0.073% HG12 ILE 103 - QD LYS+ 66 5.556% * 0.0513% (0.67 1.0 1.00 0.02 0.02) = 0.051% QB LYS+ 102 - QD LYS+ 66 5.556% * 0.0331% (0.43 1.0 1.00 0.02 0.02) = 0.033% HG LEU 123 - QD LYS+ 66 5.556% * 0.0214% (0.28 1.0 1.00 0.02 0.02) = 0.021% HB3 PRO 52 - QD LYS+ 66 5.556% * 0.0214% (0.28 1.0 1.00 0.02 0.02) = 0.021% T QB LYS+ 65 - HD2 LYS+ 121 5.556% * 0.0202% (0.03 1.0 10.00 0.02 0.02) = 0.020% HB2 LEU 71 - QD LYS+ 66 5.556% * 0.0181% (0.24 1.0 1.00 0.02 0.02) = 0.018% HB VAL 41 - HD2 LYS+ 121 5.556% * 0.0064% (0.08 1.0 1.00 0.02 0.02) = 0.006% HG2 PRO 93 - HD2 LYS+ 121 5.556% * 0.0057% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG12 ILE 103 - HD2 LYS+ 121 5.556% * 0.0048% (0.06 1.0 1.00 0.02 0.02) = 0.005% QB LYS+ 102 - HD2 LYS+ 121 5.556% * 0.0031% (0.04 1.0 1.00 0.02 0.02) = 0.003% HG LEU 123 - HD2 LYS+ 121 5.556% * 0.0020% (0.03 1.0 1.00 0.02 1.45) = 0.002% HB3 PRO 52 - HD2 LYS+ 121 5.556% * 0.0020% (0.03 1.0 1.00 0.02 0.02) = 0.002% HB2 LEU 71 - HD2 LYS+ 121 5.556% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 755 (1.44, 1.51, 29.56 ppm): 20 chemical-shift based assignments, quality = 0.986, support = 3.22, residual support = 80.5: * O T QG LYS+ 66 - QD LYS+ 66 5.000% * 91.3740% (1.00 10.0 10.00 3.34 87.00) = 91.374% kept HB3 LEU 67 - QD LYS+ 66 5.000% * 8.1717% (0.88 1.0 1.00 2.03 11.99) = 8.172% kept T QG LYS+ 66 - HD2 LYS+ 121 5.000% * 0.0861% (0.09 1.0 10.00 0.02 0.02) = 0.086% HG LEU 73 - QD LYS+ 66 5.000% * 0.0806% (0.88 1.0 1.00 0.02 0.02) = 0.081% HG2 LYS+ 102 - QD LYS+ 66 5.000% * 0.0664% (0.73 1.0 1.00 0.02 0.02) = 0.066% QB ALA 61 - QD LYS+ 66 5.000% * 0.0609% (0.67 1.0 1.00 0.02 0.02) = 0.061% HG LEU 80 - QD LYS+ 66 5.000% * 0.0343% (0.38 1.0 1.00 0.02 0.02) = 0.034% QB ALA 110 - QD LYS+ 66 5.000% * 0.0297% (0.32 1.0 1.00 0.02 0.02) = 0.030% HG12 ILE 19 - QD LYS+ 66 5.000% * 0.0215% (0.24 1.0 1.00 0.02 0.02) = 0.022% HG LEU 40 - QD LYS+ 66 5.000% * 0.0181% (0.20 1.0 1.00 0.02 0.28) = 0.018% HB3 LEU 115 - QD LYS+ 66 5.000% * 0.0181% (0.20 1.0 1.00 0.02 0.18) = 0.018% HB3 LEU 67 - HD2 LYS+ 121 5.000% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG LEU 73 - HD2 LYS+ 121 5.000% * 0.0076% (0.08 1.0 1.00 0.02 0.02) = 0.008% HG2 LYS+ 102 - HD2 LYS+ 121 5.000% * 0.0062% (0.07 1.0 1.00 0.02 0.02) = 0.006% QB ALA 61 - HD2 LYS+ 121 5.000% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG LEU 80 - HD2 LYS+ 121 5.000% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% QB ALA 110 - HD2 LYS+ 121 5.000% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG12 ILE 19 - HD2 LYS+ 121 5.000% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 LEU 115 - HD2 LYS+ 121 5.000% * 0.0017% (0.02 1.0 1.00 0.02 0.19) = 0.002% HG LEU 40 - HD2 LYS+ 121 5.000% * 0.0017% (0.02 1.0 1.00 0.02 0.02) = 0.002% 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 (0.06) kept Peak 757 (2.87, 1.51, 29.56 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.58, residual support = 86.8: * O T QE LYS+ 66 - QD LYS+ 66 25.000% * 99.8267% (1.00 10.0 10.00 3.59 87.00) = 99.827% kept T QE LYS+ 66 - HD2 LYS+ 121 25.000% * 0.0940% (0.09 1.0 10.00 0.02 0.02) = 0.094% HB3 ASN 35 - QD LYS+ 66 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB3 ASN 35 - HD2 LYS+ 121 25.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 758 (4.07, 2.87, 42.12 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.37, residual support = 87.0: * T HA LYS+ 66 - QE LYS+ 66 100.000% *100.0000% (1.00 10.00 4.37 87.00) = 100.000% kept Peak 759 (1.82, 2.87, 42.12 ppm): 9 chemical-shift based assignments, quality = 0.942, support = 4.16, residual support = 82.0: * T QB LYS+ 66 - QE LYS+ 66 11.111% * 92.6802% (1.00 10.00 4.24 87.00) = 92.680% kept QB LYS+ 65 - QE LYS+ 66 11.111% * 5.4334% (0.28 1.00 4.22 24.95) = 5.433% kept HG2 PRO 93 - QE LYS+ 66 11.111% * 0.7620% (0.78 1.00 0.21 0.02) = 0.762% HB VAL 41 - QE LYS+ 66 11.111% * 0.7100% (0.88 1.00 0.17 0.54) = 0.710% HB2 LEU 71 - QE LYS+ 66 11.111% * 0.2612% (0.24 1.00 0.24 0.02) = 0.261% HG12 ILE 103 - QE LYS+ 66 11.111% * 0.0618% (0.67 1.00 0.02 0.02) = 0.062% QB LYS+ 102 - QE LYS+ 66 11.111% * 0.0398% (0.43 1.00 0.02 0.02) = 0.040% HG LEU 123 - QE LYS+ 66 11.111% * 0.0258% (0.28 1.00 0.02 0.02) = 0.026% HB3 PRO 52 - QE LYS+ 66 11.111% * 0.0258% (0.28 1.00 0.02 0.02) = 0.026% Peak 761 (1.44, 2.87, 42.12 ppm): 10 chemical-shift based assignments, quality = 0.986, support = 3.46, residual support = 79.6: * O T QG LYS+ 66 - QE LYS+ 66 10.000% * 90.2308% (1.00 10.0 10.00 3.58 87.00) = 90.231% kept HB3 LEU 67 - QE LYS+ 66 10.000% * 9.4437% (0.88 1.0 1.00 2.37 11.99) = 9.444% kept HG LEU 73 - QE LYS+ 66 10.000% * 0.0796% (0.88 1.0 1.00 0.02 0.02) = 0.080% HG2 LYS+ 102 - QE LYS+ 66 10.000% * 0.0655% (0.73 1.0 1.00 0.02 0.02) = 0.066% QB ALA 61 - QE LYS+ 66 10.000% * 0.0602% (0.67 1.0 1.00 0.02 0.02) = 0.060% HG LEU 80 - QE LYS+ 66 10.000% * 0.0339% (0.38 1.0 1.00 0.02 0.02) = 0.034% QB ALA 110 - QE LYS+ 66 10.000% * 0.0293% (0.32 1.0 1.00 0.02 0.02) = 0.029% HG12 ILE 19 - QE LYS+ 66 10.000% * 0.0213% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 115 - QE LYS+ 66 10.000% * 0.0179% (0.20 1.0 1.00 0.02 0.18) = 0.018% HG LEU 40 - QE LYS+ 66 10.000% * 0.0179% (0.20 1.0 1.00 0.02 0.28) = 0.018% Peak 762 (1.51, 2.87, 42.12 ppm): 8 chemical-shift based assignments, quality = 0.954, support = 3.55, residual support = 81.7: * O T QD LYS+ 66 - QE LYS+ 66 12.500% * 91.7134% (1.00 10.0 10.00 3.59 87.00) = 91.713% kept HG2 LYS+ 65 - QE LYS+ 66 12.500% * 7.5700% (0.49 1.0 1.00 3.39 24.95) = 7.570% kept T HD2 LYS+ 121 - QE LYS+ 66 12.500% * 0.5563% (0.61 1.0 10.00 0.02 0.02) = 0.556% HB3 LYS+ 121 - QE LYS+ 66 12.500% * 0.0394% (0.43 1.0 1.00 0.02 0.02) = 0.039% HG LEU 104 - QE LYS+ 66 12.500% * 0.0394% (0.43 1.0 1.00 0.02 0.02) = 0.039% QG2 THR 26 - QE LYS+ 66 12.500% * 0.0344% (0.38 1.0 1.00 0.02 0.02) = 0.034% HB3 LYS+ 111 - QE LYS+ 66 12.500% * 0.0255% (0.28 1.0 1.00 0.02 0.02) = 0.025% HD3 LYS+ 74 - QE LYS+ 66 12.500% * 0.0216% (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 = 0.67, support = 0.983, residual support = 25.0: * O T HB2 PRO 68 - HA PRO 68 25.000% * 98.2777% (0.67 10.0 10.00 1.00 25.45) = 98.278% kept T HB VAL 24 - HA PRO 68 25.000% * 1.4661% (1.00 1.0 10.00 0.02 0.02) = 1.466% kept QB GLN 32 - HA PRO 68 25.000% * 0.1409% (0.96 1.0 1.00 0.02 0.02) = 0.141% HG3 GLU- 100 - HA PRO 68 25.000% * 0.1153% (0.78 1.0 1.00 0.02 0.02) = 0.115% Peak 766 (4.72, 2.11, 31.99 ppm): 2 chemical-shift based assignments, quality = 0.667, support = 0.99, residual support = 25.2: * O T HA PRO 68 - HB2 PRO 68 50.000% * 98.9929% (0.67 10.0 10.00 1.00 25.45) = 98.993% kept T HA PRO 68 - HB VAL 24 50.000% * 1.0071% (0.68 1.0 10.00 0.02 0.02) = 1.007% kept 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 (0.44) 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): 3 chemical-shift based assignments, quality = 0.999, support = 2.61, residual support = 46.9: * O T HB2 ASN 69 - HA ASN 69 33.333% * 99.8721% (1.00 10.0 10.00 2.61 47.01) = 99.872% kept HB2 ASP- 76 - HA ASN 69 33.333% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 ASP- 78 - HA ASN 69 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 770 (2.81, 4.68, 53.57 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 46.9: * O T HB3 ASN 69 - HA ASN 69 25.000% * 99.8363% (1.00 10.0 10.00 2.31 47.01) = 99.836% kept QB CYS 50 - HA ASN 69 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% QE LYS+ 74 - HA ASN 69 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB2 PHE 72 - HA ASN 69 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 771 (4.68, 2.90, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 2.61, residual support = 46.9: * O T HA ASN 69 - HB2 ASN 69 33.333% * 99.8264% (1.00 10.0 10.00 2.61 47.01) = 99.826% kept HA HIS 22 - HB2 ASN 69 33.333% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA VAL 43 - HB2 ASN 69 33.333% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% 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 = 46.9: * O T HB3 ASN 69 - HB2 ASN 69 25.000% * 99.8363% (1.00 10.0 10.00 3.97 47.01) = 99.836% kept QB CYS 50 - HB2 ASN 69 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% QE LYS+ 74 - HB2 ASN 69 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HB2 PHE 72 - HB2 ASN 69 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 774 (4.68, 2.81, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 46.9: * O T HA ASN 69 - HB3 ASN 69 33.333% * 99.8264% (1.00 10.0 10.00 2.31 47.01) = 99.826% kept HA HIS 22 - HB3 ASN 69 33.333% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA VAL 43 - HB3 ASN 69 33.333% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% Peak 775 (2.90, 2.81, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 46.9: * O T HB2 ASN 69 - HB3 ASN 69 33.333% * 99.8721% (1.00 10.0 10.00 3.97 47.01) = 99.872% kept HB2 ASP- 76 - HB3 ASN 69 33.333% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 ASP- 78 - HB3 ASN 69 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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 (0.08) kept Peak 778 (2.20, 4.01, 61.79 ppm): 8 chemical-shift based assignments, quality = 0.988, support = 2.96, residual support = 40.9: * O T HB VAL 70 - HA VAL 70 12.500% * 65.4749% (1.00 10.0 10.00 4.00 61.72) = 65.475% kept T QG GLN 17 - HA VAL 70 12.500% * 32.7346% (0.98 1.0 10.00 1.02 1.63) = 32.735% kept HB2 GLU- 25 - HA VAL 70 12.500% * 1.3942% (0.88 1.0 1.00 0.48 0.02) = 1.394% kept T HB VAL 70 - HB2 SER 82 12.500% * 0.1698% (0.26 1.0 10.00 0.02 0.02) = 0.170% T QG GLN 17 - HB2 SER 82 12.500% * 0.1665% (0.25 1.0 10.00 0.02 0.02) = 0.166% HB2 MET 96 - HA VAL 70 12.500% * 0.0358% (0.55 1.0 1.00 0.02 0.02) = 0.036% HB2 GLU- 25 - HB2 SER 82 12.500% * 0.0150% (0.23 1.0 1.00 0.02 0.02) = 0.015% HB2 MET 96 - HB2 SER 82 12.500% * 0.0093% (0.14 1.0 1.00 0.02 0.02) = 0.009% Peak 779 (0.86, 4.01, 61.79 ppm): 12 chemical-shift based assignments, quality = 0.961, support = 3.41, residual support = 34.0: * O T QG1 VAL 70 - HA VAL 70 8.333% * 47.7874% (1.00 10.0 10.00 4.43 61.72) = 47.787% kept T QG1 VAL 18 - HA VAL 70 8.333% * 41.4943% (0.96 1.0 10.00 1.82 2.03) = 41.494% kept QD1 LEU 71 - HA VAL 70 8.333% * 10.3790% (0.84 1.0 1.00 5.20 35.72) = 10.379% kept T QG1 VAL 70 - HB2 SER 82 8.333% * 0.1240% (0.26 1.0 10.00 0.02 0.02) = 0.124% T QG1 VAL 18 - HB2 SER 82 8.333% * 0.1185% (0.25 1.0 10.00 0.02 0.02) = 0.118% QD1 LEU 123 - HA VAL 70 8.333% * 0.0399% (0.84 1.0 1.00 0.02 0.02) = 0.040% HB3 LEU 104 - HA VAL 70 8.333% * 0.0155% (0.32 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 63 - HA VAL 70 8.333% * 0.0133% (0.28 1.0 1.00 0.02 0.02) = 0.013% QD1 LEU 123 - HB2 SER 82 8.333% * 0.0104% (0.22 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 71 - HB2 SER 82 8.333% * 0.0104% (0.22 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 104 - HB2 SER 82 8.333% * 0.0040% (0.08 1.0 1.00 0.02 0.02) = 0.004% HB3 LEU 63 - HB2 SER 82 8.333% * 0.0034% (0.07 1.0 1.00 0.02 0.02) = 0.003% Peak 780 (0.19, 4.01, 61.79 ppm): 2 chemical-shift based assignments, quality = 0.605, support = 3.99, residual support = 61.6: * O T QG2 VAL 70 - HA VAL 70 50.000% * 99.7413% (0.61 10.0 10.00 4.00 61.72) = 99.741% kept T QG2 VAL 70 - HB2 SER 82 50.000% * 0.2587% (0.16 1.0 10.00 0.02 0.02) = 0.259% Peak 781 (4.01, 2.20, 34.17 ppm): 14 chemical-shift based assignments, quality = 0.907, support = 3.7, residual support = 55.4: * O T HA VAL 70 - HB VAL 70 7.143% * 88.5723% (1.00 10.0 10.00 4.00 61.72) = 88.572% kept T HA VAL 70 - QG GLN 17 7.143% * 8.2990% (0.18 1.0 10.00 1.02 1.63) = 8.299% kept HA VAL 18 - QG GLN 17 7.143% * 1.4808% (0.08 1.0 1.00 4.24 41.16) = 1.481% kept HA VAL 18 - HB VAL 70 7.143% * 1.0547% (0.43 1.0 1.00 0.55 2.03) = 1.055% kept T HB2 SER 82 - HB VAL 70 7.143% * 0.2876% (0.32 1.0 10.00 0.02 0.02) = 0.288% HA GLN 116 - HB VAL 70 7.143% * 0.0886% (1.00 1.0 1.00 0.02 0.02) = 0.089% HA LYS+ 33 - HB VAL 70 7.143% * 0.0643% (0.73 1.0 1.00 0.02 0.02) = 0.064% T HB2 SER 82 - QG GLN 17 7.143% * 0.0528% (0.06 1.0 10.00 0.02 0.02) = 0.053% HA GLU- 29 - HB VAL 70 7.143% * 0.0431% (0.49 1.0 1.00 0.02 0.02) = 0.043% HB2 SER 37 - HB VAL 70 7.143% * 0.0175% (0.20 1.0 1.00 0.02 0.02) = 0.018% HA GLN 116 - QG GLN 17 7.143% * 0.0163% (0.18 1.0 1.00 0.02 0.37) = 0.016% HA LYS+ 33 - QG GLN 17 7.143% * 0.0118% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 29 - QG GLN 17 7.143% * 0.0079% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB2 SER 37 - QG GLN 17 7.143% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% 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 = 0.947, support = 4.3, residual support = 53.7: * O T QG1 VAL 70 - HB VAL 70 8.333% * 75.6606% (1.00 10.0 10.00 4.32 61.72) = 75.661% kept QD1 LEU 71 - HB VAL 70 8.333% * 16.4580% (0.84 1.0 1.00 5.21 35.72) = 16.458% kept QG1 VAL 18 - HB VAL 70 8.333% * 5.0076% (0.96 1.0 1.00 1.38 2.03) = 5.008% kept QG1 VAL 18 - QG GLN 17 8.333% * 2.5944% (0.18 1.0 1.00 3.91 41.16) = 2.594% kept T QG1 VAL 70 - QG GLN 17 8.333% * 0.1390% (0.18 1.0 10.00 0.02 1.63) = 0.139% QD1 LEU 123 - HB VAL 70 8.333% * 0.0632% (0.84 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 104 - HB VAL 70 8.333% * 0.0246% (0.32 1.0 1.00 0.02 0.02) = 0.025% HB3 LEU 63 - HB VAL 70 8.333% * 0.0210% (0.28 1.0 1.00 0.02 0.02) = 0.021% QD1 LEU 123 - QG GLN 17 8.333% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% QD1 LEU 71 - QG GLN 17 8.333% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB3 LEU 104 - QG GLN 17 8.333% * 0.0045% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 LEU 63 - QG GLN 17 8.333% * 0.0039% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 784 (0.19, 2.20, 34.17 ppm): 2 chemical-shift based assignments, quality = 0.605, support = 3.99, residual support = 61.6: * O T QG2 VAL 70 - HB VAL 70 50.000% * 99.8166% (0.61 10.0 10.00 4.00 61.72) = 99.817% kept T QG2 VAL 70 - QG GLN 17 50.000% * 0.1834% (0.11 1.0 10.00 0.02 1.63) = 0.183% Peak 785 (4.01, 0.86, 24.07 ppm): 7 chemical-shift based assignments, quality = 0.99, support = 4.38, residual support = 61.1: * O T HA VAL 70 - QG1 VAL 70 14.286% * 99.0145% (1.00 10.0 10.00 4.43 61.72) = 99.015% kept T HA VAL 18 - QG1 VAL 70 14.286% * 0.4253% (0.43 1.0 10.00 0.02 2.03) = 0.425% T HB2 SER 82 - QG1 VAL 70 14.286% * 0.3215% (0.32 1.0 10.00 0.02 0.02) = 0.321% HA GLN 116 - QG1 VAL 70 14.286% * 0.0990% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 33 - QG1 VAL 70 14.286% * 0.0719% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 29 - QG1 VAL 70 14.286% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% HB2 SER 37 - QG1 VAL 70 14.286% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 786 (2.20, 0.86, 24.07 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 4.28, residual support = 61.0: * O T HB VAL 70 - QG1 VAL 70 25.000% * 98.8894% (1.00 10.0 10.00 4.32 61.72) = 98.889% kept T QG GLN 17 - QG1 VAL 70 25.000% * 0.9693% (0.98 1.0 10.00 0.02 1.63) = 0.969% HB2 GLU- 25 - QG1 VAL 70 25.000% * 0.0873% (0.88 1.0 1.00 0.02 0.02) = 0.087% HB2 MET 96 - QG1 VAL 70 25.000% * 0.0540% (0.55 1.0 1.00 0.02 0.02) = 0.054% 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 = 0.607, support = 4.42, residual support = 61.7: * O T QG2 VAL 70 - QG1 VAL 70 100.000% *100.0000% (0.61 10.0 10.00 4.42 61.72) = 100.000% kept Peak 789 (4.01, 0.19, 22.28 ppm): 7 chemical-shift based assignments, quality = 0.398, support = 3.9, residual support = 60.1: * O T HA VAL 70 - QG2 VAL 70 14.286% * 97.2654% (0.41 10.0 10.00 4.00 61.72) = 97.265% kept HA VAL 18 - QG2 VAL 70 14.286% * 1.3974% (0.17 1.0 1.00 0.67 2.03) = 1.397% kept HA GLN 116 - QG2 VAL 70 14.286% * 0.8842% (0.41 1.0 1.00 0.18 0.02) = 0.884% T HB2 SER 82 - QG2 VAL 70 14.286% * 0.3158% (0.13 1.0 10.00 0.02 0.02) = 0.316% HA LYS+ 33 - QG2 VAL 70 14.286% * 0.0706% (0.30 1.0 1.00 0.02 0.02) = 0.071% HA GLU- 29 - QG2 VAL 70 14.286% * 0.0473% (0.20 1.0 1.00 0.02 0.02) = 0.047% HB2 SER 37 - QG2 VAL 70 14.286% * 0.0192% (0.08 1.0 1.00 0.02 0.02) = 0.019% Peak 790 (2.20, 0.19, 22.28 ppm): 4 chemical-shift based assignments, quality = 0.401, support = 3.89, residual support = 59.8: * O T HB VAL 70 - QG2 VAL 70 25.000% * 96.9521% (0.41 10.0 10.00 4.00 61.72) = 96.952% kept HB2 GLU- 25 - QG2 VAL 70 25.000% * 2.0447% (0.36 1.0 1.00 0.48 0.02) = 2.045% kept T QG GLN 17 - QG2 VAL 70 25.000% * 0.9503% (0.40 1.0 10.00 0.02 1.63) = 0.950% HB2 MET 96 - QG2 VAL 70 25.000% * 0.0529% (0.22 1.0 1.00 0.02 0.02) = 0.053% Peak 791 (0.86, 0.19, 22.28 ppm): 6 chemical-shift based assignments, quality = 0.393, support = 4.47, residual support = 53.5: * O T QG1 VAL 70 - QG2 VAL 70 16.667% * 76.0067% (0.41 10.0 10.00 4.42 61.72) = 76.007% kept QD1 LEU 71 - QG2 VAL 70 16.667% * 17.9961% (0.34 1.0 1.00 5.67 35.72) = 17.996% kept QG1 VAL 18 - QG2 VAL 70 16.667% * 5.8879% (0.39 1.0 1.00 1.62 2.03) = 5.888% kept QD1 LEU 123 - QG2 VAL 70 16.667% * 0.0635% (0.34 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 104 - QG2 VAL 70 16.667% * 0.0247% (0.13 1.0 1.00 0.02 0.02) = 0.025% HB3 LEU 63 - QG2 VAL 70 16.667% * 0.0211% (0.11 1.0 1.00 0.02 0.02) = 0.021% Peak 792 (0.19, 0.19, 22.28 ppm): 1 diagonal assignment: * QG2 VAL 70 - QG2 VAL 70 (0.25) 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): 6 chemical-shift based assignments, quality = 0.997, support = 5.41, residual support = 132.0: * O T HB2 LEU 71 - HA LEU 71 16.667% * 99.6874% (1.00 10.0 10.00 5.43 132.43) = 99.687% kept QB LYS+ 65 - HA LEU 71 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - HA LEU 71 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 93 - HA LEU 71 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 GLN 17 - HA LEU 71 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 66 - HA LEU 71 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 795 (1.20, 4.65, 54.05 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 132.2: * O T HB3 LEU 71 - HA LEU 71 20.000% * 99.7943% (1.00 10.0 10.00 4.43 132.43) = 99.794% kept HD2 LYS+ 112 - HA LEU 71 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - HA LEU 71 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB3 LYS+ 112 - HA LEU 71 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 111 - HA LEU 71 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 796 (0.86, 4.65, 54.05 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 4.13, residual support = 116.5: * T QD1 LEU 71 - HA LEU 71 20.000% * 83.9045% (1.00 10.00 4.14 132.43) = 83.905% kept QG1 VAL 70 - HA LEU 71 20.000% * 15.2177% (0.84 1.00 4.34 35.72) = 15.218% kept QG1 VAL 18 - HA LEU 71 20.000% * 0.7379% (0.67 1.00 0.26 0.02) = 0.738% QD1 LEU 123 - HA LEU 71 20.000% * 0.0839% (1.00 1.00 0.02 0.02) = 0.084% HB3 LEU 104 - HA LEU 71 20.000% * 0.0560% (0.67 1.00 0.02 0.02) = 0.056% Peak 797 (0.96, 4.65, 54.05 ppm): 6 chemical-shift based assignments, quality = 0.98, support = 4.93, residual support = 126.3: * T QD2 LEU 71 - HA LEU 71 16.667% * 95.3345% (1.00 10.00 5.11 132.43) = 95.335% kept HG3 LYS+ 74 - HA LEU 71 16.667% * 3.1766% (0.43 1.00 1.55 2.00) = 3.177% kept QD1 ILE 103 - HA LEU 71 16.667% * 1.3775% (0.96 1.00 0.30 0.02) = 1.377% kept QG2 ILE 119 - HA LEU 71 16.667% * 0.0692% (0.73 1.00 0.02 0.13) = 0.069% QG2 ILE 103 - HA LEU 71 16.667% * 0.0265% (0.28 1.00 0.02 0.02) = 0.027% QD1 LEU 67 - HA LEU 71 16.667% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% Peak 798 (4.65, 1.80, 44.15 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.43, residual support = 132.4: * O T HA LEU 71 - HB2 LEU 71 100.000% *100.0000% (1.00 10.0 10.00 5.43 132.43) = 100.000% kept 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): 5 chemical-shift based assignments, quality = 0.998, support = 4.96, residual support = 132.2: * O T HB3 LEU 71 - HB2 LEU 71 20.000% * 99.7943% (1.00 10.0 10.00 4.97 132.43) = 99.794% kept HD2 LYS+ 112 - HB2 LEU 71 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - HB2 LEU 71 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB3 LYS+ 112 - HB2 LEU 71 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 111 - HB2 LEU 71 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 801 (0.86, 1.80, 44.15 ppm): 5 chemical-shift based assignments, quality = 0.957, support = 4.9, residual support = 111.9: * O T QD1 LEU 71 - HB2 LEU 71 20.000% * 80.0150% (1.00 10.0 10.00 5.05 132.43) = 80.015% kept QG1 VAL 70 - HB2 LEU 71 20.000% * 16.7043% (0.84 1.0 1.00 5.00 35.72) = 16.704% kept QG1 VAL 18 - HB2 LEU 71 20.000% * 2.5733% (0.67 1.0 1.00 0.96 0.02) = 2.573% kept QD1 LEU 123 - HB2 LEU 71 20.000% * 0.6540% (1.00 1.0 1.00 0.16 0.02) = 0.654% HB3 LEU 104 - HB2 LEU 71 20.000% * 0.0534% (0.67 1.0 1.00 0.02 0.02) = 0.053% Peak 802 (0.96, 1.80, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.994, support = 5.38, residual support = 131.6: * O T QD2 LEU 71 - HB2 LEU 71 16.667% * 99.3871% (1.00 10.0 10.00 5.41 132.43) = 99.387% kept QD1 ILE 103 - HB2 LEU 71 16.667% * 0.4541% (0.96 1.0 1.00 0.10 0.02) = 0.454% QG2 ILE 119 - HB2 LEU 71 16.667% * 0.0722% (0.73 1.0 1.00 0.02 0.13) = 0.072% HG3 LYS+ 74 - HB2 LEU 71 16.667% * 0.0427% (0.43 1.0 1.00 0.02 2.00) = 0.043% QG2 ILE 103 - HB2 LEU 71 16.667% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - HB2 LEU 71 16.667% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 803 (4.65, 1.20, 44.15 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.43, residual support = 132.4: * O T HA LEU 71 - HB3 LEU 71 100.000% *100.0000% (1.00 10.0 10.00 4.43 132.43) = 100.000% kept Peak 804 (1.80, 1.20, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.96, residual support = 132.0: * O T HB2 LEU 71 - HB3 LEU 71 16.667% * 99.6874% (1.00 10.0 10.00 4.97 132.43) = 99.687% kept QB LYS+ 65 - HB3 LEU 71 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - HB3 LEU 71 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 93 - HB3 LEU 71 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 GLN 17 - HB3 LEU 71 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 66 - HB3 LEU 71 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% 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): 5 chemical-shift based assignments, quality = 0.966, support = 3.88, residual support = 116.3: * O T QD1 LEU 71 - HB3 LEU 71 20.000% * 83.6982% (1.00 10.0 10.00 3.82 132.43) = 83.698% kept QG1 VAL 70 - HB3 LEU 71 20.000% * 15.4262% (0.84 1.0 1.00 4.41 35.72) = 15.426% kept QG1 VAL 18 - HB3 LEU 71 20.000% * 0.7361% (0.67 1.0 1.00 0.26 0.02) = 0.736% QD1 LEU 123 - HB3 LEU 71 20.000% * 0.0837% (1.00 1.0 1.00 0.02 0.02) = 0.084% HB3 LEU 104 - HB3 LEU 71 20.000% * 0.0558% (0.67 1.0 1.00 0.02 0.02) = 0.056% Peak 807 (0.96, 1.20, 44.15 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.4, residual support = 132.1: * O T QD2 LEU 71 - HB3 LEU 71 16.667% * 99.7452% (1.00 10.0 10.00 4.41 132.43) = 99.745% kept QD1 ILE 103 - HB3 LEU 71 16.667% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG2 ILE 119 - HB3 LEU 71 16.667% * 0.0724% (0.73 1.0 1.00 0.02 0.13) = 0.072% HG3 LYS+ 74 - HB3 LEU 71 16.667% * 0.0428% (0.43 1.0 1.00 0.02 2.00) = 0.043% QG2 ILE 103 - HB3 LEU 71 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - HB3 LEU 71 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 808 (4.65, 0.86, 26.50 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.14, residual support = 132.4: * T HA LEU 71 - QD1 LEU 71 100.000% *100.0000% (1.00 10.00 4.14 132.43) = 100.000% kept Peak 809 (1.80, 0.86, 26.50 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.03, residual support = 132.0: * O T HB2 LEU 71 - QD1 LEU 71 16.667% * 99.6874% (1.00 10.0 10.00 5.05 132.43) = 99.687% kept QB LYS+ 65 - QD1 LEU 71 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - QD1 LEU 71 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 93 - QD1 LEU 71 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 GLN 17 - QD1 LEU 71 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 66 - QD1 LEU 71 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 810 (1.20, 0.86, 26.50 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.81, residual support = 132.2: * O T HB3 LEU 71 - QD1 LEU 71 20.000% * 99.7943% (1.00 10.0 10.00 3.82 132.43) = 99.794% kept HD2 LYS+ 112 - QD1 LEU 71 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - QD1 LEU 71 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB3 LYS+ 112 - QD1 LEU 71 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 111 - QD1 LEU 71 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 6 chemical-shift based assignments, quality = 0.997, support = 4.23, residual support = 132.1: * O T QD2 LEU 71 - QD1 LEU 71 16.667% * 99.7452% (1.00 10.0 10.00 4.24 132.43) = 99.745% kept QD1 ILE 103 - QD1 LEU 71 16.667% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG2 ILE 119 - QD1 LEU 71 16.667% * 0.0724% (0.73 1.0 1.00 0.02 0.13) = 0.072% HG3 LYS+ 74 - QD1 LEU 71 16.667% * 0.0428% (0.43 1.0 1.00 0.02 2.00) = 0.043% QG2 ILE 103 - QD1 LEU 71 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - QD1 LEU 71 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 813 (4.65, 0.96, 23.45 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.11, residual support = 132.4: * T HA LEU 71 - QD2 LEU 71 100.000% *100.0000% (1.00 10.00 5.11 132.43) = 100.000% kept Peak 814 (1.80, 0.96, 23.45 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.4, residual support = 132.0: * O T HB2 LEU 71 - QD2 LEU 71 16.667% * 99.6874% (1.00 10.0 10.00 5.41 132.43) = 99.687% kept QB LYS+ 65 - QD2 LEU 71 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB LYS+ 102 - QD2 LEU 71 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 93 - QD2 LEU 71 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 GLN 17 - QD2 LEU 71 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QB LYS+ 66 - QD2 LEU 71 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 815 (1.20, 0.96, 23.45 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 132.2: * O T HB3 LEU 71 - QD2 LEU 71 20.000% * 99.7943% (1.00 10.0 10.00 4.41 132.43) = 99.794% kept HD2 LYS+ 112 - QD2 LEU 71 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% QG2 THR 94 - QD2 LEU 71 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HB3 LYS+ 112 - QD2 LEU 71 20.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG3 LYS+ 111 - QD2 LEU 71 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 816 (0.86, 0.96, 23.45 ppm): 5 chemical-shift based assignments, quality = 0.966, support = 4.22, residual support = 116.4: * O T QD1 LEU 71 - QD2 LEU 71 20.000% * 83.7500% (1.00 10.0 10.00 4.24 132.43) = 83.750% kept QG1 VAL 70 - QD2 LEU 71 20.000% * 15.3768% (0.84 1.0 1.00 4.40 35.72) = 15.377% kept QG1 VAL 18 - QD2 LEU 71 20.000% * 0.7336% (0.67 1.0 1.00 0.26 0.02) = 0.734% QD1 LEU 123 - QD2 LEU 71 20.000% * 0.0837% (1.00 1.0 1.00 0.02 0.02) = 0.084% HB3 LEU 104 - QD2 LEU 71 20.000% * 0.0559% (0.67 1.0 1.00 0.02 0.02) = 0.056% 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 (0.30) kept Peak 819 (2.83, 5.27, 56.60 ppm): 2 chemical-shift based assignments, quality = 0.36, support = 3.63, residual support = 75.4: * O T HB2 PHE 72 - HA PHE 72 50.000% * 95.2103% (0.36 10.0 10.00 3.75 77.18) = 95.210% kept HA ALA 64 - HA PHE 72 50.000% * 4.7897% (0.27 1.0 1.00 1.38 39.30) = 4.790% kept Peak 820 (2.28, 5.27, 56.60 ppm): 7 chemical-shift based assignments, quality = 0.396, support = 4.2, residual support = 75.5: * O T HB3 PHE 72 - HA PHE 72 14.286% * 97.8028% (0.40 10.0 10.00 4.29 77.18) = 97.803% kept HB2 ASP- 44 - HA PHE 72 14.286% * 1.7671% (0.48 1.0 1.00 0.30 0.02) = 1.767% kept QG GLU- 15 - HA PHE 72 14.286% * 0.1320% (0.54 1.0 1.00 0.02 0.02) = 0.132% QG GLU- 14 - HA PHE 72 14.286% * 0.1125% (0.46 1.0 1.00 0.02 0.02) = 0.113% QG GLN 90 - HA PHE 72 14.286% * 0.0817% (0.33 1.0 1.00 0.02 0.02) = 0.082% QB MET 11 - HA PHE 72 14.286% * 0.0817% (0.33 1.0 1.00 0.02 0.02) = 0.082% HG12 ILE 119 - HA PHE 72 14.286% * 0.0222% (0.09 1.0 1.00 0.02 1.75) = 0.022% Peak 821 (5.27, 2.83, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.364, support = 3.75, residual support = 77.2: * O T HA PHE 72 - HB2 PHE 72 100.000% *100.0000% (0.36 10.0 10.00 3.75 77.18) = 100.000% kept Peak 822 (2.83, 2.83, 40.30 ppm): 1 diagonal assignment: * HB2 PHE 72 - HB2 PHE 72 (0.44) kept Peak 823 (2.28, 2.83, 40.30 ppm): 7 chemical-shift based assignments, quality = 0.482, support = 3.85, residual support = 76.8: * O T HB3 PHE 72 - HB2 PHE 72 14.286% * 99.4419% (0.48 10.0 10.00 3.87 77.18) = 99.442% kept QG GLU- 15 - HB2 PHE 72 14.286% * 0.1342% (0.65 1.0 1.00 0.02 0.02) = 0.134% HB2 ASP- 44 - HB2 PHE 72 14.286% * 0.1209% (0.59 1.0 1.00 0.02 0.02) = 0.121% QG GLU- 14 - HB2 PHE 72 14.286% * 0.1144% (0.56 1.0 1.00 0.02 0.02) = 0.114% QG GLN 90 - HB2 PHE 72 14.286% * 0.0831% (0.40 1.0 1.00 0.02 0.02) = 0.083% QB MET 11 - HB2 PHE 72 14.286% * 0.0831% (0.40 1.0 1.00 0.02 0.02) = 0.083% HG12 ILE 119 - HB2 PHE 72 14.286% * 0.0225% (0.11 1.0 1.00 0.02 1.75) = 0.023% Peak 824 (5.27, 2.28, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 4.29, residual support = 77.2: * O T HA PHE 72 - HB3 PHE 72 100.000% *100.0000% (0.40 10.0 10.00 4.29 77.18) = 100.000% kept Peak 825 (2.83, 2.28, 40.30 ppm): 2 chemical-shift based assignments, quality = 0.473, support = 3.76, residual support = 73.8: * O T HB2 PHE 72 - HB3 PHE 72 50.000% * 91.0492% (0.48 10.0 10.00 3.87 77.18) = 91.049% kept HA ALA 64 - HB3 PHE 72 50.000% * 8.9508% (0.35 1.0 1.00 2.69 39.30) = 8.951% kept Peak 826 (2.28, 2.28, 40.30 ppm): 1 diagonal assignment: * HB3 PHE 72 - HB3 PHE 72 (0.53) 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): 7 chemical-shift based assignments, quality = 0.995, support = 4.9, residual support = 110.2: * O T HB2 LEU 73 - HA LEU 73 14.286% * 97.8664% (1.00 10.0 10.00 5.00 112.60) = 97.866% kept HB3 MET 92 - HA LEU 73 14.286% * 1.8204% (0.92 1.0 1.00 0.40 0.02) = 1.820% kept QD LYS+ 106 - HA LEU 73 14.286% * 0.0864% (0.88 1.0 1.00 0.02 5.68) = 0.086% QD LYS+ 99 - HA LEU 73 14.286% * 0.0817% (0.84 1.0 1.00 0.02 0.02) = 0.082% HD2 LYS+ 111 - HA LEU 73 14.286% * 0.0766% (0.78 1.0 1.00 0.02 0.11) = 0.077% HB2 LEU 123 - HA LEU 73 14.286% * 0.0367% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 PRO 93 - HA LEU 73 14.286% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 829 (1.38, 5.57, 52.40 ppm): 8 chemical-shift based assignments, quality = 0.994, support = 4.45, residual support = 108.3: * O T HB3 LEU 73 - HA LEU 73 12.500% * 96.1687% (1.00 10.0 10.00 4.60 112.60) = 96.169% kept HB VAL 42 - HA LEU 73 12.500% * 3.3443% (0.98 1.0 1.00 0.71 1.06) = 3.344% kept HG3 LYS+ 102 - HA LEU 73 12.500% * 0.0957% (1.00 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 65 - HA LEU 73 12.500% * 0.0943% (0.98 1.0 1.00 0.02 0.02) = 0.094% HB2 LYS+ 112 - HA LEU 73 12.500% * 0.0919% (0.96 1.0 1.00 0.02 3.96) = 0.092% HG3 LYS+ 33 - HA LEU 73 12.500% * 0.0888% (0.92 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 106 - HA LEU 73 12.500% * 0.0803% (0.84 1.0 1.00 0.02 5.68) = 0.080% QB ALA 12 - HA LEU 73 12.500% * 0.0361% (0.38 1.0 1.00 0.02 0.02) = 0.036% Peak 830 (0.58, 5.57, 52.40 ppm): 6 chemical-shift based assignments, quality = 0.944, support = 3.48, residual support = 68.2: * T QD1 LEU 73 - HA LEU 73 16.667% * 58.4989% (1.00 10.00 5.17 112.60) = 58.499% kept T QD1 LEU 63 - HA LEU 73 16.667% * 33.7221% (1.00 10.00 1.15 6.67) = 33.722% kept T QD1 LEU 104 - HA LEU 73 16.667% * 6.5783% (0.28 10.00 0.81 0.02) = 6.578% kept QD2 LEU 63 - HA LEU 73 16.667% * 1.1262% (0.28 1.00 1.38 6.67) = 1.126% kept QD2 LEU 115 - HA LEU 73 16.667% * 0.0390% (0.67 1.00 0.02 0.02) = 0.039% QD2 LEU 80 - HA LEU 73 16.667% * 0.0355% (0.61 1.00 0.02 0.11) = 0.035% Peak 831 (0.78, 5.57, 52.40 ppm): 4 chemical-shift based assignments, quality = 0.988, support = 5.0, residual support = 102.2: * T QD2 LEU 73 - HA LEU 73 25.000% * 90.7138% (1.00 10.00 5.39 112.60) = 90.714% kept HG LEU 31 - HA LEU 73 25.000% * 5.9236% (0.92 1.00 1.41 0.85) = 5.924% kept QD1 ILE 56 - HA LEU 73 25.000% * 3.3477% (0.78 1.00 0.94 0.36) = 3.348% kept QG1 VAL 41 - HA LEU 73 25.000% * 0.0149% (0.16 1.00 0.02 0.02) = 0.015% Peak 832 (5.57, 1.70, 46.21 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 112.6: * O T HA LEU 73 - HB2 LEU 73 100.000% *100.0000% (1.00 10.0 10.00 5.00 112.60) = 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): 8 chemical-shift based assignments, quality = 0.994, support = 4.27, residual support = 106.5: * O T HB3 LEU 73 - HB2 LEU 73 12.500% * 94.5182% (1.00 10.0 10.00 4.46 112.60) = 94.518% kept HB VAL 42 - HB2 LEU 73 12.500% * 5.0031% (0.98 1.0 1.00 1.08 1.06) = 5.003% kept HG3 LYS+ 102 - HB2 LEU 73 12.500% * 0.0940% (1.00 1.0 1.00 0.02 0.02) = 0.094% HG3 LYS+ 65 - HB2 LEU 73 12.500% * 0.0926% (0.98 1.0 1.00 0.02 0.02) = 0.093% HB2 LYS+ 112 - HB2 LEU 73 12.500% * 0.0904% (0.96 1.0 1.00 0.02 3.96) = 0.090% HG3 LYS+ 33 - HB2 LEU 73 12.500% * 0.0873% (0.92 1.0 1.00 0.02 0.02) = 0.087% HG3 LYS+ 106 - HB2 LEU 73 12.500% * 0.0789% (0.84 1.0 1.00 0.02 5.68) = 0.079% QB ALA 12 - HB2 LEU 73 12.500% * 0.0355% (0.38 1.0 1.00 0.02 0.02) = 0.035% Peak 835 (0.58, 1.70, 46.21 ppm): 6 chemical-shift based assignments, quality = 0.967, support = 3.16, residual support = 64.2: * O T QD1 LEU 73 - HB2 LEU 73 16.667% * 54.6012% (1.00 10.0 10.00 4.63 112.60) = 54.601% kept T QD1 LEU 63 - HB2 LEU 73 16.667% * 40.8231% (1.00 1.0 10.00 1.50 6.67) = 40.823% kept T QD1 LEU 104 - HB2 LEU 73 16.667% * 4.4910% (0.28 1.0 10.00 0.59 0.02) = 4.491% kept QD2 LEU 115 - HB2 LEU 73 16.667% * 0.0364% (0.67 1.0 1.00 0.02 0.02) = 0.036% QD2 LEU 80 - HB2 LEU 73 16.667% * 0.0331% (0.61 1.0 1.00 0.02 0.11) = 0.033% QD2 LEU 63 - HB2 LEU 73 16.667% * 0.0152% (0.28 1.0 1.00 0.02 6.67) = 0.015% Peak 836 (0.78, 1.70, 46.21 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 3.95, residual support = 83.5: * O T QD2 LEU 73 - HB2 LEU 73 25.000% * 74.0630% (1.00 10.0 10.00 5.06 112.60) = 74.063% kept T QD1 ILE 56 - HB2 LEU 73 25.000% * 23.1459% (0.78 1.0 10.00 0.80 0.36) = 23.146% kept HG LEU 31 - HB2 LEU 73 25.000% * 2.7789% (0.92 1.0 1.00 0.81 0.85) = 2.779% kept QG1 VAL 41 - HB2 LEU 73 25.000% * 0.0122% (0.16 1.0 1.00 0.02 0.02) = 0.012% Peak 837 (5.57, 1.38, 46.21 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.6, residual support = 112.6: * O T HA LEU 73 - HB3 LEU 73 100.000% *100.0000% (1.00 10.0 10.00 4.60 112.60) = 100.000% kept Peak 838 (1.70, 1.38, 46.21 ppm): 7 chemical-shift based assignments, quality = 0.976, support = 4.11, residual support = 103.3: * O T HB2 LEU 73 - HB3 LEU 73 14.286% * 91.7051% (1.00 10.0 10.00 4.46 112.60) = 91.705% kept T HD2 LYS+ 111 - HB3 LEU 73 14.286% * 7.5073% (0.78 1.0 10.00 0.21 0.11) = 7.507% kept QD LYS+ 106 - HB3 LEU 73 14.286% * 0.5621% (0.88 1.0 1.00 0.14 5.68) = 0.562% HB3 MET 92 - HB3 LEU 73 14.286% * 0.0847% (0.92 1.0 1.00 0.02 0.02) = 0.085% QD LYS+ 99 - HB3 LEU 73 14.286% * 0.0766% (0.84 1.0 1.00 0.02 0.02) = 0.077% HB2 LEU 123 - HB3 LEU 73 14.286% * 0.0344% (0.38 1.0 1.00 0.02 0.02) = 0.034% HG3 PRO 93 - HB3 LEU 73 14.286% * 0.0298% (0.32 1.0 1.00 0.02 0.02) = 0.030% 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 = 0.98, support = 3.13, residual support = 68.0: * O T QD1 LEU 73 - HB3 LEU 73 16.667% * 58.0497% (1.00 10.0 10.00 4.47 112.60) = 58.050% kept T QD1 LEU 63 - HB3 LEU 73 16.667% * 39.1948% (1.00 1.0 10.00 1.35 6.67) = 39.195% kept T QD1 LEU 104 - HB3 LEU 73 16.667% * 2.6655% (0.28 1.0 10.00 0.33 0.02) = 2.665% kept QD2 LEU 115 - HB3 LEU 73 16.667% * 0.0387% (0.67 1.0 1.00 0.02 0.02) = 0.039% QD2 LEU 80 - HB3 LEU 73 16.667% * 0.0352% (0.61 1.0 1.00 0.02 0.11) = 0.035% QD2 LEU 63 - HB3 LEU 73 16.667% * 0.0161% (0.28 1.0 1.00 0.02 6.67) = 0.016% Peak 841 (0.78, 1.38, 46.21 ppm): 4 chemical-shift based assignments, quality = 0.991, support = 4.75, residual support = 105.0: * O T QD2 LEU 73 - HB3 LEU 73 25.000% * 93.2130% (1.00 10.0 10.00 5.03 112.60) = 93.213% kept HG LEU 31 - HB3 LEU 73 25.000% * 3.9952% (0.92 1.0 1.00 0.93 0.85) = 3.995% kept QD1 ILE 56 - HB3 LEU 73 25.000% * 2.7764% (0.78 1.0 1.00 0.76 0.36) = 2.776% kept QG1 VAL 41 - HB3 LEU 73 25.000% * 0.0153% (0.16 1.0 1.00 0.02 0.02) = 0.015% Peak 842 (5.57, 0.58, 26.34 ppm): 3 chemical-shift based assignments, quality = 0.974, support = 3.62, residual support = 71.7: * T HA LEU 73 - QD1 LEU 73 33.333% * 61.5355% (1.00 10.00 5.17 112.60) = 61.536% kept T HA LEU 73 - QD1 LEU 63 33.333% * 35.4727% (1.00 10.00 1.15 6.67) = 35.473% kept T HA LEU 73 - QD1 LEU 104 33.333% * 2.9918% (0.12 10.00 0.81 0.02) = 2.992% kept Peak 843 (1.70, 0.58, 26.34 ppm): 21 chemical-shift based assignments, quality = 0.987, support = 3.25, residual support = 66.4: * O T HB2 LEU 73 - QD1 LEU 73 4.762% * 56.5030% (1.00 10.0 10.00 4.63 112.60) = 56.503% kept T HB2 LEU 73 - QD1 LEU 63 4.762% * 42.2450% (1.00 1.0 10.00 1.50 6.67) = 42.245% kept QD LYS+ 106 - QD1 LEU 73 4.762% * 0.5475% (0.88 1.0 1.00 0.22 5.68) = 0.547% QD LYS+ 99 - QD1 LEU 73 4.762% * 0.2396% (0.84 1.0 1.00 0.10 0.02) = 0.240% T HB2 LEU 73 - QD1 LEU 104 4.762% * 0.0679% (0.12 1.0 10.00 0.02 0.02) = 0.068% HB3 MET 92 - QD1 LEU 63 4.762% * 0.0522% (0.92 1.0 1.00 0.02 0.02) = 0.052% HB3 MET 92 - QD1 LEU 73 4.762% * 0.0522% (0.92 1.0 1.00 0.02 0.02) = 0.052% QD LYS+ 106 - QD1 LEU 63 4.762% * 0.0499% (0.88 1.0 1.00 0.02 0.02) = 0.050% QD LYS+ 99 - QD1 LEU 63 4.762% * 0.0472% (0.84 1.0 1.00 0.02 0.02) = 0.047% HD2 LYS+ 111 - QD1 LEU 73 4.762% * 0.0442% (0.78 1.0 1.00 0.02 0.11) = 0.044% HD2 LYS+ 111 - QD1 LEU 63 4.762% * 0.0442% (0.78 1.0 1.00 0.02 0.35) = 0.044% HB2 LEU 123 - QD1 LEU 63 4.762% * 0.0212% (0.38 1.0 1.00 0.02 0.02) = 0.021% HB2 LEU 123 - QD1 LEU 73 4.762% * 0.0212% (0.38 1.0 1.00 0.02 0.02) = 0.021% HG3 PRO 93 - QD1 LEU 73 4.762% * 0.0183% (0.32 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 93 - QD1 LEU 63 4.762% * 0.0183% (0.32 1.0 1.00 0.02 0.18) = 0.018% HB3 MET 92 - QD1 LEU 104 4.762% * 0.0063% (0.11 1.0 1.00 0.02 0.02) = 0.006% QD LYS+ 106 - QD1 LEU 104 4.762% * 0.0060% (0.11 1.0 1.00 0.02 1.51) = 0.006% QD LYS+ 99 - QD1 LEU 104 4.762% * 0.0057% (0.10 1.0 1.00 0.02 6.65) = 0.006% HD2 LYS+ 111 - QD1 LEU 104 4.762% * 0.0053% (0.09 1.0 1.00 0.02 0.02) = 0.005% HB2 LEU 123 - QD1 LEU 104 4.762% * 0.0025% (0.05 1.0 1.00 0.02 0.02) = 0.003% HG3 PRO 93 - QD1 LEU 104 4.762% * 0.0022% (0.04 1.0 1.00 0.02 0.02) = 0.002% Peak 844 (1.38, 0.58, 26.34 ppm): 24 chemical-shift based assignments, quality = 0.99, support = 3.14, residual support = 68.2: * O T HB3 LEU 73 - QD1 LEU 73 4.167% * 58.2466% (1.00 10.0 10.00 4.47 112.60) = 58.247% kept T HB3 LEU 73 - QD1 LEU 63 4.167% * 39.3277% (1.00 1.0 10.00 1.35 6.67) = 39.328% kept HB VAL 42 - QD1 LEU 73 4.167% * 1.5027% (0.98 1.0 1.00 0.53 1.06) = 1.503% kept HG3 LYS+ 65 - QD1 LEU 73 4.167% * 0.2205% (0.98 1.0 1.00 0.08 0.02) = 0.221% T HB3 LEU 73 - QD1 LEU 104 4.167% * 0.0700% (0.12 1.0 10.00 0.02 0.02) = 0.070% HG3 LYS+ 102 - QD1 LEU 63 4.167% * 0.0580% (1.00 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 102 - QD1 LEU 73 4.167% * 0.0580% (1.00 1.0 1.00 0.02 0.02) = 0.058% HG3 LYS+ 65 - QD1 LEU 63 4.167% * 0.0571% (0.98 1.0 1.00 0.02 1.30) = 0.057% HB VAL 42 - QD1 LEU 63 4.167% * 0.0571% (0.98 1.0 1.00 0.02 0.02) = 0.057% HB2 LYS+ 112 - QD1 LEU 73 4.167% * 0.0557% (0.96 1.0 1.00 0.02 3.96) = 0.056% HB2 LYS+ 112 - QD1 LEU 63 4.167% * 0.0557% (0.96 1.0 1.00 0.02 0.20) = 0.056% HG3 LYS+ 33 - QD1 LEU 63 4.167% * 0.0538% (0.92 1.0 1.00 0.02 0.02) = 0.054% HG3 LYS+ 33 - QD1 LEU 73 4.167% * 0.0538% (0.92 1.0 1.00 0.02 0.02) = 0.054% HG3 LYS+ 106 - QD1 LEU 73 4.167% * 0.0487% (0.84 1.0 1.00 0.02 5.68) = 0.049% HG3 LYS+ 106 - QD1 LEU 63 4.167% * 0.0487% (0.84 1.0 1.00 0.02 0.02) = 0.049% QB ALA 12 - QD1 LEU 63 4.167% * 0.0219% (0.38 1.0 1.00 0.02 0.02) = 0.022% QB ALA 12 - QD1 LEU 73 4.167% * 0.0219% (0.38 1.0 1.00 0.02 0.02) = 0.022% HG3 LYS+ 102 - QD1 LEU 104 4.167% * 0.0070% (0.12 1.0 1.00 0.02 0.14) = 0.007% HB VAL 42 - QD1 LEU 104 4.167% * 0.0069% (0.12 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 65 - QD1 LEU 104 4.167% * 0.0069% (0.12 1.0 1.00 0.02 0.02) = 0.007% HB2 LYS+ 112 - QD1 LEU 104 4.167% * 0.0067% (0.11 1.0 1.00 0.02 0.02) = 0.007% HG3 LYS+ 33 - QD1 LEU 104 4.167% * 0.0065% (0.11 1.0 1.00 0.02 0.13) = 0.006% HG3 LYS+ 106 - QD1 LEU 104 4.167% * 0.0058% (0.10 1.0 1.00 0.02 1.51) = 0.006% QB ALA 12 - QD1 LEU 104 4.167% * 0.0026% (0.05 1.0 1.00 0.02 0.02) = 0.003% 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 (0.03) kept Peak 846 (0.78, 0.58, 26.34 ppm): 12 chemical-shift based assignments, quality = 0.974, support = 3.39, residual support = 64.8: * O T QD2 LEU 73 - QD1 LEU 73 8.333% * 55.4014% (1.00 10.0 10.00 5.13 112.60) = 55.401% kept T QD2 LEU 73 - QD1 LEU 63 8.333% * 35.3108% (1.00 1.0 10.00 1.27 6.67) = 35.311% kept HG LEU 31 - QD1 LEU 73 8.333% * 3.9639% (0.92 1.0 1.00 1.55 0.85) = 3.964% kept QD1 ILE 56 - QD1 LEU 73 8.333% * 2.1223% (0.78 1.0 1.00 0.98 0.36) = 2.122% kept T QD2 LEU 73 - QD1 LEU 104 8.333% * 1.9507% (0.12 1.0 10.00 0.59 0.02) = 1.951% kept HG LEU 31 - QD1 LEU 63 8.333% * 1.1768% (0.92 1.0 1.00 0.46 0.34) = 1.177% kept QD1 ILE 56 - QD1 LEU 63 8.333% * 0.0434% (0.78 1.0 1.00 0.02 0.02) = 0.043% QG1 VAL 41 - QD1 LEU 63 8.333% * 0.0091% (0.16 1.0 1.00 0.02 0.02) = 0.009% QG1 VAL 41 - QD1 LEU 73 8.333% * 0.0091% (0.16 1.0 1.00 0.02 0.02) = 0.009% HG LEU 31 - QD1 LEU 104 8.333% * 0.0061% (0.11 1.0 1.00 0.02 0.33) = 0.006% QD1 ILE 56 - QD1 LEU 104 8.333% * 0.0052% (0.09 1.0 1.00 0.02 0.02) = 0.005% QG1 VAL 41 - QD1 LEU 104 8.333% * 0.0011% (0.02 1.0 1.00 0.02 0.02) = 0.001% Peak 847 (5.57, 0.78, 24.39 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.39, residual support = 112.6: * T HA LEU 73 - QD2 LEU 73 100.000% *100.0000% (1.00 10.00 5.39 112.60) = 100.000% kept Peak 848 (1.70, 0.78, 24.39 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.91, residual support = 108.9: * O T HB2 LEU 73 - QD2 LEU 73 14.286% * 96.6875% (1.00 10.0 10.00 5.06 112.60) = 96.687% kept HD2 LYS+ 111 - QD2 LEU 73 14.286% * 2.0630% (0.78 1.0 1.00 0.55 0.11) = 2.063% kept QD LYS+ 106 - QD2 LEU 73 14.286% * 1.0118% (0.88 1.0 1.00 0.24 5.68) = 1.012% kept HB3 MET 92 - QD2 LEU 73 14.286% * 0.0893% (0.92 1.0 1.00 0.02 0.02) = 0.089% QD LYS+ 99 - QD2 LEU 73 14.286% * 0.0808% (0.84 1.0 1.00 0.02 0.02) = 0.081% HB2 LEU 123 - QD2 LEU 73 14.286% * 0.0363% (0.38 1.0 1.00 0.02 0.02) = 0.036% HG3 PRO 93 - QD2 LEU 73 14.286% * 0.0314% (0.32 1.0 1.00 0.02 0.02) = 0.031% Peak 849 (1.38, 0.78, 24.39 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 4.66, residual support = 102.5: * O T HB3 LEU 73 - QD2 LEU 73 12.500% * 90.7810% (1.00 10.0 10.00 5.03 112.60) = 90.781% kept HB2 LYS+ 112 - QD2 LEU 73 12.500% * 5.7898% (0.96 1.0 1.00 1.33 3.96) = 5.790% kept HB VAL 42 - QD2 LEU 73 12.500% * 2.9445% (0.98 1.0 1.00 0.66 1.06) = 2.945% kept QB ALA 12 - QD2 LEU 73 12.500% * 0.1458% (0.38 1.0 1.00 0.09 0.02) = 0.146% HG3 LYS+ 102 - QD2 LEU 73 12.500% * 0.0903% (1.00 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 65 - QD2 LEU 73 12.500% * 0.0890% (0.98 1.0 1.00 0.02 0.02) = 0.089% HG3 LYS+ 33 - QD2 LEU 73 12.500% * 0.0838% (0.92 1.0 1.00 0.02 0.02) = 0.084% HG3 LYS+ 106 - QD2 LEU 73 12.500% * 0.0758% (0.84 1.0 1.00 0.02 5.68) = 0.076% Peak 850 (0.58, 0.78, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.965, support = 3.48, residual support = 67.9: * O T QD1 LEU 73 - QD2 LEU 73 16.667% * 58.1275% (1.00 10.0 10.00 5.13 112.60) = 58.128% kept T QD1 LEU 63 - QD2 LEU 73 16.667% * 37.0483% (1.00 1.0 10.00 1.27 6.67) = 37.048% kept T QD1 LEU 104 - QD2 LEU 73 16.667% * 4.7339% (0.28 1.0 10.00 0.59 0.02) = 4.734% kept QD2 LEU 115 - QD2 LEU 73 16.667% * 0.0388% (0.67 1.0 1.00 0.02 0.02) = 0.039% QD2 LEU 80 - QD2 LEU 73 16.667% * 0.0353% (0.61 1.0 1.00 0.02 0.11) = 0.035% QD2 LEU 63 - QD2 LEU 73 16.667% * 0.0162% (0.28 1.0 1.00 0.02 6.67) = 0.016% Peak 851 (0.78, 0.78, 24.39 ppm): 1 diagonal assignment: * QD2 LEU 73 - QD2 LEU 73 (1.00) kept Peak 852 (4.94, 4.94, 55.14 ppm): 1 diagonal assignment: * HA LYS+ 74 - HA LYS+ 74 (0.37) kept Peak 853 (1.48, 4.94, 55.14 ppm): 6 chemical-shift based assignments, quality = 0.367, support = 5.3, residual support = 152.3: * O T HB2 LYS+ 74 - HA LYS+ 74 16.667% * 99.6645% (0.37 10.0 10.00 5.31 152.81) = 99.664% kept HB3 LEU 40 - HA LYS+ 74 16.667% * 0.1286% (0.47 1.0 1.00 0.02 0.02) = 0.129% HG LEU 115 - HA LYS+ 74 16.667% * 0.0706% (0.26 1.0 1.00 0.02 0.02) = 0.071% QB ALA 120 - HA LYS+ 74 16.667% * 0.0706% (0.26 1.0 1.00 0.02 0.02) = 0.071% QG2 THR 26 - HA LYS+ 74 16.667% * 0.0387% (0.14 1.0 1.00 0.02 0.11) = 0.039% HG2 LYS+ 65 - HA LYS+ 74 16.667% * 0.0270% (0.10 1.0 1.00 0.02 0.02) = 0.027% Peak 854 (1.24, 4.94, 55.14 ppm): 7 chemical-shift based assignments, quality = 0.599, support = 5.9, residual support = 150.8: * O T HG2 LYS+ 74 - HA LYS+ 74 14.286% * 98.6864% (0.61 10.0 10.00 5.98 152.81) = 98.686% kept QB ALA 91 - HA LYS+ 74 14.286% * 0.9865% (0.20 1.0 1.00 0.62 0.02) = 0.987% HG3 LYS+ 99 - HA LYS+ 74 14.286% * 0.0982% (0.60 1.0 1.00 0.02 0.02) = 0.098% HG LEU 71 - HA LYS+ 74 14.286% * 0.0982% (0.60 1.0 1.00 0.02 2.00) = 0.098% HG13 ILE 19 - HA LYS+ 74 14.286% * 0.0824% (0.51 1.0 1.00 0.02 2.70) = 0.082% QG2 THR 39 - HA LYS+ 74 14.286% * 0.0320% (0.20 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 89 - HA LYS+ 74 14.286% * 0.0162% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 855 (0.98, 4.94, 55.14 ppm): 6 chemical-shift based assignments, quality = 0.605, support = 5.26, residual support = 152.3: * O T HG3 LYS+ 74 - HA LYS+ 74 16.667% * 99.6729% (0.61 10.0 10.00 5.27 152.81) = 99.673% kept QG2 ILE 103 - HA LYS+ 74 16.667% * 0.0953% (0.58 1.0 1.00 0.02 0.02) = 0.095% QD1 LEU 67 - HA LYS+ 74 16.667% * 0.0833% (0.51 1.0 1.00 0.02 0.02) = 0.083% QD2 LEU 40 - HA LYS+ 74 16.667% * 0.0780% (0.47 1.0 1.00 0.02 0.02) = 0.078% QD2 LEU 71 - HA LYS+ 74 16.667% * 0.0428% (0.26 1.0 1.00 0.02 2.00) = 0.043% QD1 ILE 103 - HA LYS+ 74 16.667% * 0.0277% (0.17 1.0 1.00 0.02 0.02) = 0.028% Peak 856 (1.64, 4.94, 55.14 ppm): 8 chemical-shift based assignments, quality = 0.605, support = 5.26, residual support = 152.4: * T HD2 LYS+ 74 - HA LYS+ 74 12.500% * 99.7258% (0.61 10.00 5.27 152.81) = 99.726% kept QB ALA 57 - HA LYS+ 74 12.500% * 0.0724% (0.44 1.00 0.02 0.02) = 0.072% HD3 LYS+ 111 - HA LYS+ 74 12.500% * 0.0665% (0.40 1.00 0.02 0.02) = 0.067% HB2 LYS+ 121 - HA LYS+ 74 12.500% * 0.0324% (0.20 1.00 0.02 0.02) = 0.032% HB3 LEU 123 - HA LYS+ 74 12.500% * 0.0277% (0.17 1.00 0.02 0.55) = 0.028% QD LYS+ 65 - HA LYS+ 74 12.500% * 0.0277% (0.17 1.00 0.02 0.02) = 0.028% QD LYS+ 33 - HA LYS+ 74 12.500% * 0.0277% (0.17 1.00 0.02 0.02) = 0.028% HB VAL 83 - HA LYS+ 74 12.500% * 0.0197% (0.12 1.00 0.02 0.02) = 0.020% Peak 857 (2.80, 4.94, 55.14 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 4.61, residual support = 152.6: * T QE LYS+ 74 - HA LYS+ 74 33.333% * 99.8461% (0.61 10.00 4.62 152.81) = 99.846% kept QB CYS 50 - HA LYS+ 74 33.333% * 0.0993% (0.60 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HA LYS+ 74 33.333% * 0.0545% (0.33 1.00 0.02 0.02) = 0.055% Peak 858 (4.94, 1.48, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.368, support = 5.31, residual support = 152.7: * O T HA LYS+ 74 - HB2 LYS+ 74 50.000% * 99.9465% (0.37 10.0 10.00 5.31 152.81) = 99.947% kept HA THR 94 - HB2 LYS+ 74 50.000% * 0.0535% (0.20 1.0 1.00 0.02 0.02) = 0.053% Peak 859 (1.48, 1.48, 36.69 ppm): 1 diagonal assignment: * HB2 LYS+ 74 - HB2 LYS+ 74 (0.37) kept Peak 860 (1.24, 1.48, 36.69 ppm): 7 chemical-shift based assignments, quality = 0.601, support = 5.2, residual support = 147.9: * O T HG2 LYS+ 74 - HB2 LYS+ 74 14.286% * 96.7307% (0.61 10.0 10.00 5.36 152.81) = 96.731% kept HG LEU 71 - HB2 LYS+ 74 14.286% * 2.3722% (0.60 1.0 1.00 0.49 2.00) = 2.372% kept HG13 ILE 19 - HB2 LYS+ 74 14.286% * 0.7221% (0.51 1.0 1.00 0.18 2.70) = 0.722% HG3 LYS+ 99 - HB2 LYS+ 74 14.286% * 0.0962% (0.60 1.0 1.00 0.02 0.02) = 0.096% QB ALA 91 - HB2 LYS+ 74 14.286% * 0.0314% (0.20 1.0 1.00 0.02 0.02) = 0.031% QG2 THR 39 - HB2 LYS+ 74 14.286% * 0.0314% (0.20 1.0 1.00 0.02 0.02) = 0.031% HG12 ILE 89 - HB2 LYS+ 74 14.286% * 0.0159% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 861 (0.98, 1.48, 36.69 ppm): 6 chemical-shift based assignments, quality = 0.6, support = 4.9, residual support = 150.2: * O T HG3 LYS+ 74 - HB2 LYS+ 74 16.667% * 98.2730% (0.61 10.0 10.00 4.97 152.81) = 98.273% kept QD2 LEU 71 - HB2 LYS+ 74 16.667% * 1.4467% (0.26 1.0 1.00 0.69 2.00) = 1.447% kept QG2 ILE 103 - HB2 LYS+ 74 16.667% * 0.0939% (0.58 1.0 1.00 0.02 0.02) = 0.094% QD1 LEU 67 - HB2 LYS+ 74 16.667% * 0.0821% (0.51 1.0 1.00 0.02 0.02) = 0.082% QD2 LEU 40 - HB2 LYS+ 74 16.667% * 0.0769% (0.47 1.0 1.00 0.02 0.02) = 0.077% QD1 ILE 103 - HB2 LYS+ 74 16.667% * 0.0273% (0.17 1.0 1.00 0.02 0.02) = 0.027% Peak 862 (1.64, 1.48, 36.69 ppm): 8 chemical-shift based assignments, quality = 0.602, support = 4.93, residual support = 151.6: * O T HD2 LYS+ 74 - HB2 LYS+ 74 12.500% * 99.1892% (0.61 10.0 10.00 4.97 152.81) = 99.189% kept T HB2 LYS+ 121 - HB2 LYS+ 74 12.500% * 0.3220% (0.20 1.0 10.00 0.02 0.02) = 0.322% T QD LYS+ 65 - HB2 LYS+ 74 12.500% * 0.2758% (0.17 1.0 10.00 0.02 0.02) = 0.276% QB ALA 57 - HB2 LYS+ 74 12.500% * 0.0720% (0.44 1.0 1.00 0.02 0.02) = 0.072% HD3 LYS+ 111 - HB2 LYS+ 74 12.500% * 0.0662% (0.40 1.0 1.00 0.02 0.02) = 0.066% QD LYS+ 33 - HB2 LYS+ 74 12.500% * 0.0276% (0.17 1.0 1.00 0.02 0.02) = 0.028% HB3 LEU 123 - HB2 LYS+ 74 12.500% * 0.0276% (0.17 1.0 1.00 0.02 0.55) = 0.028% HB VAL 83 - HB2 LYS+ 74 12.500% * 0.0196% (0.12 1.0 1.00 0.02 0.02) = 0.020% Peak 863 (2.80, 1.48, 36.69 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 4.31, residual support = 152.6: * T QE LYS+ 74 - HB2 LYS+ 74 33.333% * 99.8461% (0.61 10.00 4.31 152.81) = 99.846% kept QB CYS 50 - HB2 LYS+ 74 33.333% * 0.0993% (0.60 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HB2 LYS+ 74 33.333% * 0.0545% (0.33 1.00 0.02 0.02) = 0.055% Peak 864 (4.94, 1.24, 25.23 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 5.98, residual support = 152.7: * O T HA LYS+ 74 - HG2 LYS+ 74 50.000% * 99.9465% (0.61 10.0 10.00 5.98 152.81) = 99.947% kept HA THR 94 - HG2 LYS+ 74 50.000% * 0.0535% (0.32 1.0 1.00 0.02 0.02) = 0.053% Peak 865 (1.48, 1.24, 25.23 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 5.35, residual support = 152.3: * O T HB2 LYS+ 74 - HG2 LYS+ 74 16.667% * 99.6645% (0.61 10.0 10.00 5.36 152.81) = 99.664% kept HB3 LEU 40 - HG2 LYS+ 74 16.667% * 0.1286% (0.78 1.0 1.00 0.02 0.02) = 0.129% HG LEU 115 - HG2 LYS+ 74 16.667% * 0.0706% (0.43 1.0 1.00 0.02 0.02) = 0.071% QB ALA 120 - HG2 LYS+ 74 16.667% * 0.0706% (0.43 1.0 1.00 0.02 0.02) = 0.071% QG2 THR 26 - HG2 LYS+ 74 16.667% * 0.0387% (0.24 1.0 1.00 0.02 0.11) = 0.039% HG2 LYS+ 65 - HG2 LYS+ 74 16.667% * 0.0270% (0.16 1.0 1.00 0.02 0.02) = 0.027% Peak 866 (1.24, 1.24, 25.23 ppm): 1 diagonal assignment: * HG2 LYS+ 74 - HG2 LYS+ 74 (1.00) kept Peak 867 (0.98, 1.24, 25.23 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.35, residual support = 152.3: * O T HG3 LYS+ 74 - HG2 LYS+ 74 16.667% * 99.6729% (1.00 10.0 10.00 4.37 152.81) = 99.673% kept QG2 ILE 103 - HG2 LYS+ 74 16.667% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% QD1 LEU 67 - HG2 LYS+ 74 16.667% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% QD2 LEU 40 - HG2 LYS+ 74 16.667% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QD2 LEU 71 - HG2 LYS+ 74 16.667% * 0.0428% (0.43 1.0 1.00 0.02 2.00) = 0.043% QD1 ILE 103 - HG2 LYS+ 74 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 868 (1.64, 1.24, 25.23 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 4.36, residual support = 152.4: * O T HD2 LYS+ 74 - HG2 LYS+ 74 12.500% * 99.7258% (1.00 10.0 10.00 4.37 152.81) = 99.726% kept QB ALA 57 - HG2 LYS+ 74 12.500% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD3 LYS+ 111 - HG2 LYS+ 74 12.500% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 121 - HG2 LYS+ 74 12.500% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 123 - HG2 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% QD LYS+ 65 - HG2 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 33 - HG2 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - HG2 LYS+ 74 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 869 (2.80, 1.24, 25.23 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 4.36, residual support = 152.6: * O T QE LYS+ 74 - HG2 LYS+ 74 33.333% * 99.8461% (1.00 10.0 10.00 4.37 152.81) = 99.846% kept QB CYS 50 - HG2 LYS+ 74 33.333% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HG2 LYS+ 74 33.333% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% Peak 870 (4.94, 0.98, 25.23 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 5.27, residual support = 152.7: * O T HA LYS+ 74 - HG3 LYS+ 74 50.000% * 99.9465% (0.61 10.0 10.00 5.27 152.81) = 99.947% kept HA THR 94 - HG3 LYS+ 74 50.000% * 0.0535% (0.32 1.0 1.00 0.02 0.02) = 0.053% Peak 871 (1.48, 0.98, 25.23 ppm): 6 chemical-shift based assignments, quality = 0.597, support = 4.9, residual support = 150.5: * O T HB2 LYS+ 74 - HG3 LYS+ 74 16.667% * 98.4737% (0.61 10.0 10.00 4.97 152.81) = 98.474% kept T HG LEU 115 - HG3 LYS+ 74 16.667% * 0.6974% (0.43 1.0 10.00 0.02 0.02) = 0.697% QB ALA 120 - HG3 LYS+ 74 16.667% * 0.6368% (0.43 1.0 1.00 0.18 0.02) = 0.637% HB3 LEU 40 - HG3 LYS+ 74 16.667% * 0.1271% (0.78 1.0 1.00 0.02 0.02) = 0.127% QG2 THR 26 - HG3 LYS+ 74 16.667% * 0.0383% (0.24 1.0 1.00 0.02 0.11) = 0.038% HG2 LYS+ 65 - HG3 LYS+ 74 16.667% * 0.0267% (0.16 1.0 1.00 0.02 0.02) = 0.027% Peak 872 (1.24, 0.98, 25.23 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.31, residual support = 150.5: * O T HG2 LYS+ 74 - HG3 LYS+ 74 14.286% * 98.4972% (1.00 10.0 10.00 4.37 152.81) = 98.497% kept HG3 LYS+ 99 - HG3 LYS+ 74 14.286% * 1.2424% (1.00 1.0 1.00 0.25 0.02) = 1.242% kept HG LEU 71 - HG3 LYS+ 74 14.286% * 0.0980% (1.00 1.0 1.00 0.02 2.00) = 0.098% HG13 ILE 19 - HG3 LYS+ 74 14.286% * 0.0823% (0.84 1.0 1.00 0.02 2.70) = 0.082% QG2 THR 39 - HG3 LYS+ 74 14.286% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB ALA 91 - HG3 LYS+ 74 14.286% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 89 - HG3 LYS+ 74 14.286% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 8 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 152.4: * O T HD2 LYS+ 74 - HG3 LYS+ 74 12.500% * 99.7258% (1.00 10.0 10.00 4.00 152.81) = 99.726% kept QB ALA 57 - HG3 LYS+ 74 12.500% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD3 LYS+ 111 - HG3 LYS+ 74 12.500% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 121 - HG3 LYS+ 74 12.500% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 123 - HG3 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% QD LYS+ 65 - HG3 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 33 - HG3 LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - HG3 LYS+ 74 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 875 (2.80, 0.98, 25.23 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 152.6: * O T QE LYS+ 74 - HG3 LYS+ 74 33.333% * 99.8461% (1.00 10.0 10.00 4.00 152.81) = 99.846% kept QB CYS 50 - HG3 LYS+ 74 33.333% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HG3 LYS+ 74 33.333% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% Peak 876 (4.94, 1.64, 30.09 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 5.27, residual support = 152.7: * T HA LYS+ 74 - HD2 LYS+ 74 50.000% * 99.9465% (0.61 10.00 5.27 152.81) = 99.947% kept HA THR 94 - HD2 LYS+ 74 50.000% * 0.0535% (0.32 1.00 0.02 0.02) = 0.053% Peak 877 (1.48, 1.64, 30.09 ppm): 6 chemical-shift based assignments, quality = 0.603, support = 4.95, residual support = 151.9: * O T HB2 LYS+ 74 - HD2 LYS+ 74 16.667% * 99.4226% (0.61 10.0 10.00 4.97 152.81) = 99.423% kept T HG2 LYS+ 65 - HD2 LYS+ 74 16.667% * 0.2696% (0.16 1.0 10.00 0.02 0.02) = 0.270% HB3 LEU 40 - HD2 LYS+ 74 16.667% * 0.1283% (0.78 1.0 1.00 0.02 0.02) = 0.128% HG LEU 115 - HD2 LYS+ 74 16.667% * 0.0704% (0.43 1.0 1.00 0.02 0.02) = 0.070% QB ALA 120 - HD2 LYS+ 74 16.667% * 0.0704% (0.43 1.0 1.00 0.02 0.02) = 0.070% QG2 THR 26 - HD2 LYS+ 74 16.667% * 0.0386% (0.24 1.0 1.00 0.02 0.11) = 0.039% Peak 878 (1.24, 1.64, 30.09 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.35, residual support = 152.3: * O T HG2 LYS+ 74 - HD2 LYS+ 74 14.286% * 99.6374% (1.00 10.0 10.00 4.37 152.81) = 99.637% kept HG3 LYS+ 99 - HD2 LYS+ 74 14.286% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% HG LEU 71 - HD2 LYS+ 74 14.286% * 0.0991% (1.00 1.0 1.00 0.02 2.00) = 0.099% HG13 ILE 19 - HD2 LYS+ 74 14.286% * 0.0832% (0.84 1.0 1.00 0.02 2.70) = 0.083% QG2 THR 39 - HD2 LYS+ 74 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QB ALA 91 - HD2 LYS+ 74 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 89 - HD2 LYS+ 74 14.286% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 879 (0.98, 1.64, 30.09 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 152.3: * O T HG3 LYS+ 74 - HD2 LYS+ 74 16.667% * 99.6729% (1.00 10.0 10.00 4.00 152.81) = 99.673% kept QG2 ILE 103 - HD2 LYS+ 74 16.667% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% QD1 LEU 67 - HD2 LYS+ 74 16.667% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% QD2 LEU 40 - HD2 LYS+ 74 16.667% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QD2 LEU 71 - HD2 LYS+ 74 16.667% * 0.0428% (0.43 1.0 1.00 0.02 2.00) = 0.043% QD1 ILE 103 - HD2 LYS+ 74 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 880 (1.64, 1.64, 30.09 ppm): 1 diagonal assignment: * HD2 LYS+ 74 - HD2 LYS+ 74 (1.00) kept Peak 881 (2.80, 1.64, 30.09 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 3.99, residual support = 152.6: * O T QE LYS+ 74 - HD2 LYS+ 74 33.333% * 99.8461% (1.00 10.0 10.00 4.00 152.81) = 99.846% kept QB CYS 50 - HD2 LYS+ 74 33.333% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 ASN 69 - HD2 LYS+ 74 33.333% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% Peak 882 (4.94, 2.80, 41.81 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 4.62, residual support = 152.7: * T HA LYS+ 74 - QE LYS+ 74 50.000% * 99.9465% (0.61 10.00 4.62 152.81) = 99.947% kept HA THR 94 - QE LYS+ 74 50.000% * 0.0535% (0.32 1.00 0.02 0.02) = 0.053% Peak 883 (1.48, 2.80, 41.81 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 4.3, residual support = 152.3: * T HB2 LYS+ 74 - QE LYS+ 74 16.667% * 99.6645% (0.61 10.00 4.31 152.81) = 99.664% kept HB3 LEU 40 - QE LYS+ 74 16.667% * 0.1286% (0.78 1.00 0.02 0.02) = 0.129% HG LEU 115 - QE LYS+ 74 16.667% * 0.0706% (0.43 1.00 0.02 0.02) = 0.071% QB ALA 120 - QE LYS+ 74 16.667% * 0.0706% (0.43 1.00 0.02 0.02) = 0.071% QG2 THR 26 - QE LYS+ 74 16.667% * 0.0387% (0.24 1.00 0.02 0.11) = 0.039% HG2 LYS+ 65 - QE LYS+ 74 16.667% * 0.0270% (0.16 1.00 0.02 0.02) = 0.027% Peak 884 (1.24, 2.80, 41.81 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 4.34, residual support = 151.9: * O T HG2 LYS+ 74 - QE LYS+ 74 14.286% * 99.4013% (1.00 10.0 10.00 4.37 152.81) = 99.401% kept HG13 ILE 19 - QE LYS+ 74 14.286% * 0.3200% (0.84 1.0 1.00 0.08 2.70) = 0.320% HG3 LYS+ 99 - QE LYS+ 74 14.286% * 0.0989% (1.00 1.0 1.00 0.02 0.02) = 0.099% HG LEU 71 - QE LYS+ 74 14.286% * 0.0989% (1.00 1.0 1.00 0.02 2.00) = 0.099% QB ALA 91 - QE LYS+ 74 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% QG2 THR 39 - QE LYS+ 74 14.286% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HG12 ILE 89 - QE LYS+ 74 14.286% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 885 (0.98, 2.80, 41.81 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 152.3: * O T HG3 LYS+ 74 - QE LYS+ 74 16.667% * 99.6729% (1.00 10.0 10.00 4.00 152.81) = 99.673% kept QG2 ILE 103 - QE LYS+ 74 16.667% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% QD1 LEU 67 - QE LYS+ 74 16.667% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% QD2 LEU 40 - QE LYS+ 74 16.667% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QD2 LEU 71 - QE LYS+ 74 16.667% * 0.0428% (0.43 1.0 1.00 0.02 2.00) = 0.043% QD1 ILE 103 - QE LYS+ 74 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 886 (1.64, 2.80, 41.81 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 152.4: * O T HD2 LYS+ 74 - QE LYS+ 74 12.500% * 99.7258% (1.00 10.0 10.00 4.00 152.81) = 99.726% kept QB ALA 57 - QE LYS+ 74 12.500% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD3 LYS+ 111 - QE LYS+ 74 12.500% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB2 LYS+ 121 - QE LYS+ 74 12.500% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 LEU 123 - QE LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% QD LYS+ 65 - QE LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 33 - QE LYS+ 74 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - QE LYS+ 74 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 4 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 70.9: * O T HB VAL 75 - HA VAL 75 25.000% * 99.9351% (1.00 10.0 10.00 3.44 70.97) = 99.935% kept QD2 LEU 40 - HA VAL 75 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - HA VAL 75 25.000% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 103 - HA VAL 75 25.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 890 (0.44, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 70.9: * O T QG1 VAL 75 - HA VAL 75 50.000% * 99.9118% (1.00 10.0 10.00 4.00 70.97) = 99.912% kept QD1 LEU 115 - HA VAL 75 50.000% * 0.0882% (0.88 1.0 1.00 0.02 0.02) = 0.088% Peak 891 (0.13, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 3.92, residual support = 69.3: * O T QG2 VAL 75 - HA VAL 75 50.000% * 97.6741% (1.00 10.0 10.00 4.00 70.97) = 97.674% kept QG2 VAL 42 - HA VAL 75 50.000% * 2.3259% (0.92 1.0 1.00 0.52 0.02) = 2.326% kept Peak 892 (3.71, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 70.9: * O T HA VAL 75 - HB VAL 75 50.000% * 99.9218% (1.00 10.0 10.00 3.44 70.97) = 99.922% kept HD3 PRO 58 - HB VAL 75 50.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% 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 = 0.999, support = 3.3, residual support = 70.9: * O T QG1 VAL 75 - HB VAL 75 50.000% * 99.9118% (1.00 10.0 10.00 3.31 70.97) = 99.912% kept QD1 LEU 115 - HB VAL 75 50.000% * 0.0882% (0.88 1.0 1.00 0.02 0.02) = 0.088% Peak 895 (0.13, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 3.12, residual support = 66.7: * O T QG2 VAL 75 - HB VAL 75 50.000% * 94.0521% (1.00 10.0 10.00 3.31 70.97) = 94.052% kept T QG2 VAL 42 - HB VAL 75 50.000% * 5.9479% (0.92 1.0 10.00 0.14 0.02) = 5.948% kept Peak 896 (3.71, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.996, support = 3.99, residual support = 70.7: * O T HA VAL 75 - QG1 VAL 75 50.000% * 99.6335% (1.00 10.0 10.00 4.00 70.97) = 99.634% kept HD3 PRO 58 - QG1 VAL 75 50.000% * 0.3665% (0.78 1.0 1.00 0.09 0.02) = 0.366% Peak 897 (1.00, 0.44, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.3, residual support = 70.9: * O T HB VAL 75 - QG1 VAL 75 25.000% * 99.9351% (1.00 10.0 10.00 3.31 70.97) = 99.935% kept QD2 LEU 40 - QG1 VAL 75 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - QG1 VAL 75 25.000% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 103 - QG1 VAL 75 25.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% 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 = 3.88, residual support = 69.3: * O T QG2 VAL 75 - QG1 VAL 75 50.000% * 97.6946% (1.00 10.0 10.00 3.96 70.97) = 97.695% kept QG2 VAL 42 - QG1 VAL 75 50.000% * 2.3054% (0.92 1.0 1.00 0.51 0.02) = 2.305% kept Peak 900 (3.71, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 70.9: * O T HA VAL 75 - QG2 VAL 75 50.000% * 99.9218% (1.00 10.0 10.00 4.00 70.97) = 99.922% kept HD3 PRO 58 - QG2 VAL 75 50.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% Peak 901 (1.00, 0.13, 21.81 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.31, residual support = 70.9: * O T HB VAL 75 - QG2 VAL 75 25.000% * 99.9351% (1.00 10.0 10.00 3.31 70.97) = 99.935% kept QD2 LEU 40 - QG2 VAL 75 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD1 LEU 67 - QG2 VAL 75 25.000% * 0.0236% (0.24 1.0 1.00 0.02 0.02) = 0.024% QG2 ILE 103 - QG2 VAL 75 25.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% Peak 902 (0.44, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.95, residual support = 70.9: * O T QG1 VAL 75 - QG2 VAL 75 50.000% * 99.9118% (1.00 10.0 10.00 3.96 70.97) = 99.912% kept QD1 LEU 115 - QG2 VAL 75 50.000% * 0.0882% (0.88 1.0 1.00 0.02 0.02) = 0.088% 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 = 0.981, support = 2.7, residual support = 16.5: * O T HB2 ASP- 76 - HA ASP- 76 33.333% * 96.3532% (1.00 10.0 10.00 2.75 16.93) = 96.353% kept HB2 ASP- 78 - HA ASP- 76 33.333% * 3.5547% (0.49 1.0 1.00 1.52 5.91) = 3.555% kept HB2 ASN 69 - HA ASP- 76 33.333% * 0.0921% (0.96 1.0 1.00 0.02 0.02) = 0.092% Peak 906 (2.24, 5.02, 52.40 ppm): 5 chemical-shift based assignments, quality = 0.722, support = 1.75, residual support = 16.4: * O T HB3 ASP- 76 - HA ASP- 76 20.000% * 96.8212% (0.73 10.0 10.00 1.80 16.93) = 96.821% kept HG3 MET 92 - HA ASP- 76 20.000% * 1.6306% (0.73 1.0 1.00 0.34 0.02) = 1.631% kept HB2 GLU- 29 - HA ASP- 76 20.000% * 1.3367% (0.55 1.0 1.00 0.37 0.02) = 1.337% kept HB2 ASP- 105 - HA ASP- 76 20.000% * 0.1307% (0.98 1.0 1.00 0.02 0.02) = 0.131% HG2 GLU- 100 - HA ASP- 76 20.000% * 0.0809% (0.61 1.0 1.00 0.02 0.02) = 0.081% Peak 907 (5.02, 2.90, 42.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.75, residual support = 16.9: * O T HA ASP- 76 - HB2 ASP- 76 100.000% *100.0000% (1.00 10.0 10.00 2.75 16.93) = 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): 5 chemical-shift based assignments, quality = 0.722, support = 2.51, residual support = 16.4: * O T HB3 ASP- 76 - HB2 ASP- 76 20.000% * 96.8212% (0.73 10.0 10.00 2.59 16.93) = 96.821% kept HG3 MET 92 - HB2 ASP- 76 20.000% * 1.6306% (0.73 1.0 1.00 0.34 0.02) = 1.631% kept HB2 GLU- 29 - HB2 ASP- 76 20.000% * 1.3367% (0.55 1.0 1.00 0.37 0.02) = 1.337% kept HB2 ASP- 105 - HB2 ASP- 76 20.000% * 0.1307% (0.98 1.0 1.00 0.02 0.02) = 0.131% HG2 GLU- 100 - HB2 ASP- 76 20.000% * 0.0809% (0.61 1.0 1.00 0.02 0.02) = 0.081% Peak 910 (5.02, 2.24, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 1.8, residual support = 16.9: * O T HA ASP- 76 - HB3 ASP- 76 100.000% *100.0000% (0.73 10.0 10.00 1.80 16.93) = 100.000% kept Peak 911 (2.90, 2.24, 42.19 ppm): 3 chemical-shift based assignments, quality = 0.725, support = 2.58, residual support = 16.9: * O T HB2 ASP- 76 - HB3 ASP- 76 33.333% * 99.8559% (0.73 10.0 10.00 2.59 16.93) = 99.856% kept HB2 ASN 69 - HB3 ASP- 76 33.333% * 0.0955% (0.69 1.0 1.00 0.02 0.02) = 0.095% HB2 ASP- 78 - HB3 ASP- 76 33.333% * 0.0486% (0.35 1.0 1.00 0.02 5.91) = 0.049% Peak 912 (2.24, 2.24, 42.19 ppm): 1 diagonal assignment: * HB3 ASP- 76 - HB3 ASP- 76 (0.53) 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): 8 chemical-shift based assignments, quality = 0.984, support = 2.54, residual support = 29.4: * O T HB THR 77 - HA THR 77 12.500% * 97.4761% (1.00 10.0 10.00 2.59 30.21) = 97.476% kept HA GLU- 79 - HA THR 77 12.500% * 2.0936% (0.43 1.0 1.00 1.00 0.02) = 2.094% kept HA SER 85 - HA THR 77 12.500% * 0.0975% (1.00 1.0 1.00 0.02 0.02) = 0.097% HA ASP- 44 - HA THR 77 12.500% * 0.0955% (0.98 1.0 1.00 0.02 0.02) = 0.096% HA MET 11 - HA THR 77 12.500% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% HA ILE 103 - HA THR 77 12.500% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% HA THR 39 - HA THR 77 12.500% * 0.0316% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA1 GLY 51 - HA THR 77 12.500% * 0.0193% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 915 (1.30, 3.58, 65.17 ppm): 3 chemical-shift based assignments, quality = 0.992, support = 2.41, residual support = 30.0: * O T QG2 THR 77 - HA THR 77 33.333% * 99.2060% (1.00 10.0 10.00 2.43 30.21) = 99.206% kept QB ALA 88 - HA THR 77 33.333% * 0.7777% (0.61 1.0 1.00 0.26 0.02) = 0.778% HG2 LYS+ 38 - HA THR 77 33.333% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 916 (3.58, 4.28, 68.30 ppm): 3 chemical-shift based assignments, quality = 1.0, support = 2.59, residual support = 30.2: * O T HA THR 77 - HB THR 77 33.333% * 99.9671% (1.00 10.0 10.00 2.59 30.21) = 99.967% kept HD2 PRO 93 - HB THR 77 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 TRP 27 - HB THR 77 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 3 chemical-shift based assignments, quality = 0.992, support = 2.12, residual support = 30.0: * O T QG2 THR 77 - HB THR 77 33.333% * 99.2060% (1.00 10.0 10.00 2.13 30.21) = 99.206% kept QB ALA 88 - HB THR 77 33.333% * 0.7777% (0.61 1.0 1.00 0.26 0.02) = 0.778% HG2 LYS+ 38 - HB THR 77 33.333% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 919 (3.58, 1.30, 23.34 ppm): 3 chemical-shift based assignments, quality = 1.0, support = 2.43, residual support = 30.2: * O T HA THR 77 - QG2 THR 77 33.333% * 99.9671% (1.00 10.0 10.00 2.43 30.21) = 99.967% kept HD2 PRO 93 - QG2 THR 77 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 TRP 27 - QG2 THR 77 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 920 (4.28, 1.30, 23.34 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 2.07, residual support = 29.0: * O T HB THR 77 - QG2 THR 77 12.500% * 95.9843% (1.00 10.0 10.00 2.13 30.21) = 95.984% kept HA GLU- 79 - QG2 THR 77 12.500% * 1.8717% (0.43 1.0 1.00 0.91 0.02) = 1.872% kept HA ASP- 44 - QG2 THR 77 12.500% * 1.8143% (0.98 1.0 1.00 0.39 0.02) = 1.814% kept HA SER 85 - QG2 THR 77 12.500% * 0.0960% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA MET 11 - QG2 THR 77 12.500% * 0.0918% (0.96 1.0 1.00 0.02 0.02) = 0.092% HA ILE 103 - QG2 THR 77 12.500% * 0.0918% (0.96 1.0 1.00 0.02 0.02) = 0.092% HA THR 39 - QG2 THR 77 12.500% * 0.0312% (0.32 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 51 - QG2 THR 77 12.500% * 0.0190% (0.20 1.0 1.00 0.02 0.02) = 0.019% 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): 5 chemical-shift based assignments, quality = 0.978, support = 3.28, residual support = 35.0: * O T HB2 ASP- 78 - HA ASP- 78 20.000% * 96.9377% (1.00 10.0 10.00 3.37 35.95) = 96.938% kept HB2 ASP- 76 - HA ASP- 78 20.000% * 1.7898% (0.49 1.0 1.00 0.76 5.91) = 1.790% kept HB2 ASN 69 - HA ASP- 78 20.000% * 0.7979% (0.32 1.0 1.00 0.51 0.02) = 0.798% QE LYS+ 33 - HA ASP- 78 20.000% * 0.4517% (0.38 1.0 1.00 0.25 0.02) = 0.452% HB2 ASN 28 - HA ASP- 78 20.000% * 0.0229% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 924 (2.78, 4.83, 56.44 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 35.9: * O T HB3 ASP- 78 - HA ASP- 78 100.000% *100.0000% (1.00 10.0 10.00 2.00 35.95) = 100.000% kept Peak 925 (4.83, 2.91, 41.22 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.37, residual support = 35.9: * O T HA ASP- 78 - HB2 ASP- 78 33.333% * 99.9077% (1.00 10.0 10.00 3.37 35.95) = 99.908% kept HA THR 23 - HB2 ASP- 78 33.333% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA LEU 80 - HB2 ASP- 78 33.333% * 0.0198% (0.20 1.0 1.00 0.02 3.09) = 0.020% 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): 1 chemical-shift based assignment, quality = 1.0, support = 2.86, residual support = 35.9: * O T HB3 ASP- 78 - HB2 ASP- 78 100.000% *100.0000% (1.00 10.0 10.00 2.86 35.95) = 100.000% kept Peak 928 (4.83, 2.78, 41.22 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.0, residual support = 35.9: * O T HA ASP- 78 - HB3 ASP- 78 33.333% * 99.9077% (1.00 10.0 10.00 2.00 35.95) = 99.908% kept HA THR 23 - HB3 ASP- 78 33.333% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.073% HA LEU 80 - HB3 ASP- 78 33.333% * 0.0198% (0.20 1.0 1.00 0.02 3.09) = 0.020% Peak 929 (2.91, 2.78, 41.22 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 2.82, residual support = 35.5: * O T HB2 ASP- 78 - HB3 ASP- 78 20.000% * 98.6142% (1.00 10.0 10.00 2.86 35.95) = 98.614% kept HB2 ASP- 76 - HB3 ASP- 78 20.000% * 1.2935% (0.49 1.0 1.00 0.54 5.91) = 1.293% kept QE LYS+ 33 - HB3 ASP- 78 20.000% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB2 ASN 69 - HB3 ASP- 78 20.000% * 0.0320% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 ASN 28 - HB3 ASP- 78 20.000% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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): 6 chemical-shift based assignments, quality = 0.987, support = 4.29, residual support = 40.9: * O T HB2 GLU- 79 - HA GLU- 79 16.667% * 97.8479% (1.00 10.0 10.00 4.37 41.85) = 97.848% kept HG2 PRO 52 - HA GLU- 79 16.667% * 1.3960% (0.61 1.0 1.00 0.47 0.02) = 1.396% kept HG3 GLU- 25 - HA GLU- 79 16.667% * 0.4795% (0.32 1.0 1.00 0.30 0.02) = 0.479% QG GLU- 114 - HA GLU- 79 16.667% * 0.0959% (0.98 1.0 1.00 0.02 0.02) = 0.096% HG2 MET 92 - HA GLU- 79 16.667% * 0.0903% (0.92 1.0 1.00 0.02 0.02) = 0.090% HG3 GLU- 36 - HA GLU- 79 16.667% * 0.0903% (0.92 1.0 1.00 0.02 0.02) = 0.090% Peak 933 (2.38, 4.27, 58.55 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 3.06, residual support = 40.8: * O T QG GLU- 79 - HA GLU- 79 25.000% * 97.3072% (1.00 10.0 10.00 3.12 41.85) = 97.307% kept QG GLN 32 - HA GLU- 79 25.000% * 2.6497% (0.73 1.0 1.00 0.75 4.41) = 2.650% kept HB2 GLU- 100 - HA GLU- 79 25.000% * 0.0271% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 116 - HA GLU- 79 25.000% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 934 (4.27, 2.31, 31.53 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 4.35, residual support = 41.7: * O T HA GLU- 79 - HB2 GLU- 79 11.111% * 99.5658% (1.00 10.0 10.00 4.37 41.85) = 99.566% kept HA THR 39 - HB2 GLU- 79 11.111% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA1 GLY 51 - HB2 GLU- 79 11.111% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ILE 103 - HB2 GLU- 79 11.111% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA SER 85 - HB2 GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.74) = 0.043% HB THR 77 - HB2 GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 57 - HB2 GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ASP- 44 - HB2 GLU- 79 11.111% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA MET 11 - HB2 GLU- 79 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% 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): 4 chemical-shift based assignments, quality = 0.994, support = 2.74, residual support = 41.0: * O T QG GLU- 79 - HB2 GLU- 79 25.000% * 97.7735% (1.00 10.0 10.00 2.79 41.85) = 97.774% kept QG GLN 32 - HB2 GLU- 79 25.000% * 2.1832% (0.73 1.0 1.00 0.62 4.41) = 2.183% kept HB2 GLU- 100 - HB2 GLU- 79 25.000% * 0.0272% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 116 - HB2 GLU- 79 25.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 937 (4.27, 2.38, 37.37 ppm): 9 chemical-shift based assignments, quality = 0.996, support = 3.11, residual support = 41.7: * O T HA GLU- 79 - QG GLU- 79 11.111% * 99.5658% (1.00 10.0 10.00 3.12 41.85) = 99.566% kept HA THR 39 - QG GLU- 79 11.111% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA1 GLY 51 - QG GLU- 79 11.111% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA ILE 103 - QG GLU- 79 11.111% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA SER 85 - QG GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.74) = 0.043% HB THR 77 - QG GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ALA 57 - QG GLU- 79 11.111% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ASP- 44 - QG GLU- 79 11.111% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA MET 11 - QG GLU- 79 11.111% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 938 (2.31, 2.38, 37.37 ppm): 6 chemical-shift based assignments, quality = 0.996, support = 2.78, residual support = 41.7: * O T HB2 GLU- 79 - QG GLU- 79 16.667% * 99.6256% (1.00 10.0 10.00 2.79 41.85) = 99.626% kept QG GLU- 114 - QG GLU- 79 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG2 MET 92 - QG GLU- 79 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG3 GLU- 36 - QG GLU- 79 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 52 - QG GLU- 79 16.667% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG3 GLU- 25 - QG GLU- 79 16.667% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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): 4 chemical-shift based assignments, quality = 0.422, support = 3.6, residual support = 44.3: * T QD1 LEU 80 - HA LEU 80 25.000% * 86.0066% (0.38 10.00 4.07 51.41) = 86.007% kept QD2 LEU 63 - HA LEU 80 25.000% * 7.1245% (0.84 1.00 0.74 0.65) = 7.124% kept QG2 VAL 41 - HA LEU 80 25.000% * 6.0089% (0.67 1.00 0.79 0.25) = 6.009% kept T QD2 LEU 98 - HA LEU 80 25.000% * 0.8601% (0.38 10.00 0.02 0.02) = 0.860% Peak 943 (4.81, 1.41, 40.36 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 4.96, residual support = 50.7: * O HA LEU 80 - HB2 LEU 80 20.000% * 98.5535% (1.00 10.0 5.03 51.41) = 98.553% kept HA THR 23 - HB2 LEU 80 20.000% * 1.2822% (0.61 1.0 0.43 0.15) = 1.282% kept HB THR 23 - HB2 LEU 80 20.000% * 0.0910% (0.92 1.0 0.02 0.15) = 0.091% HA ASP- 105 - HB2 LEU 80 20.000% * 0.0538% (0.55 1.0 0.02 0.02) = 0.054% HA ASP- 78 - HB2 LEU 80 20.000% * 0.0195% (0.20 1.0 0.02 3.09) = 0.020% 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): 4 chemical-shift based assignments, quality = 0.473, support = 1.6, residual support = 33.7: * O T QD1 LEU 80 - HB2 LEU 80 25.000% * 65.3061% (0.38 10.0 10.00 2.21 51.41) = 65.306% kept T QG2 VAL 41 - HB2 LEU 80 25.000% * 28.0303% (0.67 1.0 10.00 0.48 0.25) = 28.030% kept QD2 LEU 63 - HB2 LEU 80 25.000% * 3.5570% (0.84 1.0 1.00 0.49 0.65) = 3.557% kept T QD2 LEU 98 - HB2 LEU 80 25.000% * 3.1066% (0.38 1.0 10.00 0.10 0.02) = 3.107% kept Peak 946 (4.81, 0.56, 25.66 ppm): 10 chemical-shift based assignments, quality = 0.37, support = 3.98, residual support = 50.2: * T HA LEU 80 - QD1 LEU 80 10.000% * 97.7186% (0.38 10.00 4.07 51.41) = 97.719% kept HA THR 23 - QD1 LEU 80 10.000% * 1.2714% (0.23 1.00 0.43 0.15) = 1.271% kept T HA LEU 80 - QD2 LEU 98 10.000% * 0.5601% (0.22 10.00 0.02 0.02) = 0.560% HA ASP- 78 - QD1 LEU 80 10.000% * 0.1790% (0.07 1.00 0.19 3.09) = 0.179% HB THR 23 - QD1 LEU 80 10.000% * 0.0902% (0.35 1.00 0.02 0.15) = 0.090% HA ASP- 105 - QD1 LEU 80 10.000% * 0.0534% (0.20 1.00 0.02 0.02) = 0.053% HB THR 23 - QD2 LEU 98 10.000% * 0.0517% (0.20 1.00 0.02 0.02) = 0.052% HA THR 23 - QD2 LEU 98 10.000% * 0.0340% (0.13 1.00 0.02 0.02) = 0.034% HA ASP- 105 - QD2 LEU 98 10.000% * 0.0306% (0.12 1.00 0.02 7.33) = 0.031% HA ASP- 78 - QD2 LEU 98 10.000% * 0.0111% (0.04 1.00 0.02 0.02) = 0.011% Peak 948 (0.56, 0.56, 25.66 ppm): 2 diagonal assignments: * QD1 LEU 80 - QD1 LEU 80 (0.14) kept QD2 LEU 98 - QD2 LEU 98 (0.08) 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): 10 chemical-shift based assignments, quality = 0.966, support = 4.61, residual support = 67.0: * O T QB LYS+ 81 - HA LYS+ 81 10.000% * 87.7657% (1.00 10.0 10.00 5.12 75.96) = 87.766% kept QB LYS+ 33 - HA LYS+ 81 10.000% * 6.5343% (0.92 1.0 1.00 1.61 4.99) = 6.534% kept T HG3 PRO 68 - HA LYS+ 81 10.000% * 4.6950% (0.61 1.0 10.00 0.18 0.02) = 4.695% kept T HG2 ARG+ 54 - HA LYS+ 81 10.000% * 0.6373% (0.73 1.0 10.00 0.02 0.02) = 0.637% QB LYS+ 106 - HA LYS+ 81 10.000% * 0.0873% (1.00 1.0 1.00 0.02 0.02) = 0.087% HB3 GLN 90 - HA LYS+ 81 10.000% * 0.0860% (0.98 1.0 1.00 0.02 0.02) = 0.086% HB3 ASP- 105 - HA LYS+ 81 10.000% * 0.0687% (0.78 1.0 1.00 0.02 0.02) = 0.069% HB ILE 103 - HA LYS+ 81 10.000% * 0.0585% (0.67 1.0 1.00 0.02 0.02) = 0.059% HB ILE 56 - HA LYS+ 81 10.000% * 0.0427% (0.49 1.0 1.00 0.02 0.02) = 0.043% HB3 LYS+ 38 - HA LYS+ 81 10.000% * 0.0244% (0.28 1.0 1.00 0.02 0.11) = 0.024% Peak 951 (1.56, 4.10, 60.05 ppm): 3 chemical-shift based assignments, quality = 0.944, support = 3.47, residual support = 65.2: * O T QG LYS+ 81 - HA LYS+ 81 33.333% * 84.8773% (1.00 10.0 10.00 4.00 75.96) = 84.877% kept T HG2 LYS+ 33 - HA LYS+ 81 33.333% * 14.2907% (0.67 1.0 10.00 0.50 4.99) = 14.291% kept T HG2 LYS+ 106 - HA LYS+ 81 33.333% * 0.8320% (0.98 1.0 10.00 0.02 0.02) = 0.832% Peak 952 (1.77, 4.10, 60.05 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.43, residual support = 75.8: * T QD LYS+ 81 - HA LYS+ 81 25.000% * 99.7865% (1.00 10.00 3.43 75.96) = 99.786% kept HB2 LYS+ 99 - HA LYS+ 81 25.000% * 0.0993% (1.00 1.00 0.02 0.02) = 0.099% HB VAL 43 - HA LYS+ 81 25.000% * 0.0978% (0.98 1.00 0.02 0.02) = 0.098% HB3 GLN 17 - HA LYS+ 81 25.000% * 0.0164% (0.16 1.00 0.02 0.02) = 0.016% Peak 953 (3.11, 4.10, 60.05 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.43, residual support = 76.0: * T QE LYS+ 81 - HA LYS+ 81 100.000% *100.0000% (1.00 10.00 3.43 75.96) = 100.000% kept Peak 954 (4.10, 1.87, 32.96 ppm): 4 chemical-shift based assignments, quality = 0.984, support = 4.88, residual support = 72.2: * O T HA LYS+ 81 - QB LYS+ 81 25.000% * 95.0578% (1.00 10.0 10.00 5.12 75.96) = 95.058% kept HA GLU- 36 - QB LYS+ 81 25.000% * 2.5852% (0.96 1.0 1.00 0.57 0.02) = 2.585% kept T HA ARG+ 54 - QB LYS+ 81 25.000% * 2.3051% (0.38 1.0 10.00 0.13 0.02) = 2.305% kept HA ALA 124 - QB LYS+ 81 25.000% * 0.0519% (0.55 1.0 1.00 0.02 0.02) = 0.052% 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 = 0.938, support = 3.86, residual support = 63.9: * O T QG LYS+ 81 - QB LYS+ 81 33.333% * 83.0041% (1.00 10.0 10.00 4.54 75.96) = 83.004% kept T HG2 LYS+ 33 - QB LYS+ 81 33.333% * 16.1823% (0.67 1.0 10.00 0.58 4.99) = 16.182% kept T HG2 LYS+ 106 - QB LYS+ 81 33.333% * 0.8136% (0.98 1.0 10.00 0.02 0.02) = 0.814% Peak 957 (1.77, 1.87, 32.96 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.83, residual support = 75.8: * O T QD LYS+ 81 - QB LYS+ 81 25.000% * 99.7865% (1.00 10.0 10.00 3.84 75.96) = 99.786% kept HB2 LYS+ 99 - QB LYS+ 81 25.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB VAL 43 - QB LYS+ 81 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB3 GLN 17 - QB LYS+ 81 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 958 (3.11, 1.87, 32.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.84, residual support = 76.0: * QE LYS+ 81 - QB LYS+ 81 100.000% *100.0000% (1.00 3.84 75.96) = 100.000% kept Peak 959 (4.10, 1.56, 25.02 ppm): 12 chemical-shift based assignments, quality = 0.941, support = 3.6, residual support = 67.7: * O T HA LYS+ 81 - QG LYS+ 81 8.333% * 88.5116% (1.00 10.0 10.00 4.00 75.96) = 88.512% kept T HA LYS+ 81 - HG2 LYS+ 33 8.333% * 8.5423% (0.38 1.0 10.00 0.50 4.99) = 8.542% kept HA GLU- 36 - QG LYS+ 81 8.333% * 2.4076% (0.96 1.0 1.00 0.57 0.02) = 2.408% kept HA ARG+ 54 - QG LYS+ 81 8.333% * 0.1980% (0.38 1.0 1.00 0.12 0.02) = 0.198% T HA LYS+ 81 - HG2 LYS+ 106 8.333% * 0.1926% (0.22 1.0 10.00 0.02 0.02) = 0.193% HA ALA 124 - QG LYS+ 81 8.333% * 0.0483% (0.55 1.0 1.00 0.02 0.02) = 0.048% HA GLU- 36 - HG2 LYS+ 33 8.333% * 0.0324% (0.37 1.0 1.00 0.02 0.02) = 0.032% HA ALA 124 - HG2 LYS+ 33 8.333% * 0.0185% (0.21 1.0 1.00 0.02 0.02) = 0.018% HA GLU- 36 - HG2 LYS+ 106 8.333% * 0.0184% (0.21 1.0 1.00 0.02 0.02) = 0.018% HA ARG+ 54 - HG2 LYS+ 33 8.333% * 0.0127% (0.14 1.0 1.00 0.02 0.67) = 0.013% HA ALA 124 - HG2 LYS+ 106 8.333% * 0.0105% (0.12 1.0 1.00 0.02 0.02) = 0.011% HA ARG+ 54 - HG2 LYS+ 106 8.333% * 0.0072% (0.08 1.0 1.00 0.02 0.02) = 0.007% Peak 960 (1.87, 1.56, 25.02 ppm): 30 chemical-shift based assignments, quality = 0.755, support = 3.73, residual support = 62.7: * O T QB LYS+ 81 - QG LYS+ 81 3.333% * 44.9501% (1.00 10.0 10.00 4.54 75.96) = 44.950% kept T QB LYS+ 33 - QG LYS+ 81 3.333% * 23.5330% (0.92 1.0 10.00 1.13 4.99) = 23.533% kept O T QB LYS+ 33 - HG2 LYS+ 33 3.333% * 15.8638% (0.35 10.0 10.00 5.32 108.90) = 15.864% kept O T QB LYS+ 106 - HG2 LYS+ 106 3.333% * 9.7322% (0.22 10.0 10.00 5.21 101.04) = 9.732% kept T QB LYS+ 33 - HG2 LYS+ 106 3.333% * 2.2463% (0.20 1.0 10.00 0.50 0.34) = 2.246% kept HB3 ASP- 105 - HG2 LYS+ 106 3.333% * 1.5207% (0.17 1.0 1.00 3.97 14.16) = 1.521% kept T QB LYS+ 106 - HG2 LYS+ 33 3.333% * 1.1189% (0.38 1.0 10.00 0.13 0.34) = 1.119% kept T QB LYS+ 106 - QG LYS+ 81 3.333% * 0.4473% (1.00 1.0 10.00 0.02 0.02) = 0.447% T QB LYS+ 81 - HG2 LYS+ 33 3.333% * 0.1719% (0.38 1.0 10.00 0.02 4.99) = 0.172% T QB LYS+ 81 - HG2 LYS+ 106 3.333% * 0.0978% (0.22 1.0 10.00 0.02 0.02) = 0.098% HB3 GLN 90 - QG LYS+ 81 3.333% * 0.0441% (0.98 1.0 1.00 0.02 0.02) = 0.044% HB3 ASP- 105 - QG LYS+ 81 3.333% * 0.0352% (0.78 1.0 1.00 0.02 0.02) = 0.035% HG2 ARG+ 54 - QG LYS+ 81 3.333% * 0.0326% (0.73 1.0 1.00 0.02 0.02) = 0.033% HB ILE 103 - QG LYS+ 81 3.333% * 0.0300% (0.67 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 68 - QG LYS+ 81 3.333% * 0.0273% (0.61 1.0 1.00 0.02 0.02) = 0.027% HB ILE 56 - QG LYS+ 81 3.333% * 0.0219% (0.49 1.0 1.00 0.02 0.02) = 0.022% HB3 GLN 90 - HG2 LYS+ 33 3.333% * 0.0168% (0.37 1.0 1.00 0.02 0.02) = 0.017% HB3 ASP- 105 - HG2 LYS+ 33 3.333% * 0.0135% (0.30 1.0 1.00 0.02 0.56) = 0.013% HB3 LYS+ 38 - QG LYS+ 81 3.333% * 0.0125% (0.28 1.0 1.00 0.02 0.11) = 0.012% HG2 ARG+ 54 - HG2 LYS+ 33 3.333% * 0.0125% (0.28 1.0 1.00 0.02 0.67) = 0.012% HB ILE 103 - HG2 LYS+ 33 3.333% * 0.0115% (0.25 1.0 1.00 0.02 0.02) = 0.011% HG3 PRO 68 - HG2 LYS+ 33 3.333% * 0.0104% (0.23 1.0 1.00 0.02 0.02) = 0.010% HB3 GLN 90 - HG2 LYS+ 106 3.333% * 0.0096% (0.21 1.0 1.00 0.02 0.02) = 0.010% HB ILE 56 - HG2 LYS+ 33 3.333% * 0.0084% (0.19 1.0 1.00 0.02 0.02) = 0.008% HG2 ARG+ 54 - HG2 LYS+ 106 3.333% * 0.0071% (0.16 1.0 1.00 0.02 0.02) = 0.007% HB ILE 103 - HG2 LYS+ 106 3.333% * 0.0065% (0.15 1.0 1.00 0.02 0.02) = 0.007% HG3 PRO 68 - HG2 LYS+ 106 3.333% * 0.0059% (0.13 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 38 - HG2 LYS+ 33 3.333% * 0.0048% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB ILE 56 - HG2 LYS+ 106 3.333% * 0.0048% (0.11 1.0 1.00 0.02 0.02) = 0.005% HB3 LYS+ 38 - HG2 LYS+ 106 3.333% * 0.0027% (0.06 1.0 1.00 0.02 0.02) = 0.003% 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 (0.25) kept HG2 LYS+ 106 - HG2 LYS+ 106 (0.21) kept Peak 962 (1.77, 1.56, 25.02 ppm): 12 chemical-shift based assignments, quality = 0.981, support = 3.31, residual support = 74.0: * O T QD LYS+ 81 - QG LYS+ 81 8.333% * 97.3243% (1.00 10.0 10.00 3.40 75.96) = 97.324% kept T QD LYS+ 81 - HG2 LYS+ 33 8.333% * 2.1308% (0.38 1.0 10.00 0.11 4.99) = 2.131% kept T QD LYS+ 81 - HG2 LYS+ 106 8.333% * 0.2118% (0.22 1.0 10.00 0.02 0.02) = 0.212% HB2 LYS+ 99 - QG LYS+ 81 8.333% * 0.0968% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB VAL 43 - QG LYS+ 81 8.333% * 0.0954% (0.98 1.0 1.00 0.02 0.02) = 0.095% HB2 LYS+ 99 - HG2 LYS+ 33 8.333% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB VAL 43 - HG2 LYS+ 33 8.333% * 0.0365% (0.37 1.0 1.00 0.02 0.02) = 0.036% 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% * 0.0208% (0.21 1.0 1.00 0.02 3.38) = 0.021% HB3 GLN 17 - QG LYS+ 81 8.333% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 GLN 17 - HG2 LYS+ 33 8.333% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - HG2 LYS+ 106 8.333% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 963 (3.11, 1.56, 25.02 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.39, residual support = 75.9: * O QE LYS+ 81 - QG LYS+ 81 33.333% * 99.9400% (1.00 10.0 3.40 75.96) = 99.940% kept QE LYS+ 81 - HG2 LYS+ 33 33.333% * 0.0382% (0.38 1.0 0.02 4.99) = 0.038% QE LYS+ 81 - HG2 LYS+ 106 33.333% * 0.0217% (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 = 0.999, support = 3.39, residual support = 75.0: * T HA LYS+ 81 - QD LYS+ 81 25.000% * 98.7857% (1.00 10.00 3.43 75.96) = 98.786% kept HA GLU- 36 - QD LYS+ 81 25.000% * 1.1233% (0.96 1.00 0.24 0.02) = 1.123% kept HA ALA 124 - QD LYS+ 81 25.000% * 0.0539% (0.55 1.00 0.02 0.02) = 0.054% HA ARG+ 54 - QD LYS+ 81 25.000% * 0.0371% (0.38 1.00 0.02 0.02) = 0.037% Peak 965 (1.87, 1.77, 29.62 ppm): 10 chemical-shift based assignments, quality = 0.993, support = 3.73, residual support = 73.6: * O T QB LYS+ 81 - QD LYS+ 81 10.000% * 96.7404% (1.00 10.0 10.00 3.84 75.96) = 96.740% kept QB LYS+ 33 - QD LYS+ 81 10.000% * 2.7254% (0.92 1.0 1.00 0.61 4.99) = 2.725% kept QB LYS+ 106 - QD LYS+ 81 10.000% * 0.0963% (1.00 1.0 1.00 0.02 0.02) = 0.096% HB3 GLN 90 - QD LYS+ 81 10.000% * 0.0948% (0.98 1.0 1.00 0.02 0.02) = 0.095% HB3 ASP- 105 - QD LYS+ 81 10.000% * 0.0757% (0.78 1.0 1.00 0.02 0.02) = 0.076% HG2 ARG+ 54 - QD LYS+ 81 10.000% * 0.0702% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB ILE 103 - QD LYS+ 81 10.000% * 0.0645% (0.67 1.0 1.00 0.02 0.02) = 0.065% HG3 PRO 68 - QD LYS+ 81 10.000% * 0.0587% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB ILE 56 - QD LYS+ 81 10.000% * 0.0471% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB3 LYS+ 38 - QD LYS+ 81 10.000% * 0.0269% (0.28 1.0 1.00 0.02 0.11) = 0.027% Peak 966 (1.56, 1.77, 29.62 ppm): 3 chemical-shift based assignments, quality = 0.984, support = 3.34, residual support = 74.7: * O T QG LYS+ 81 - QD LYS+ 81 33.333% * 98.3795% (1.00 10.0 10.00 3.40 75.96) = 98.380% kept T HG2 LYS+ 106 - QD LYS+ 81 33.333% * 0.9643% (0.98 1.0 10.00 0.02 0.02) = 0.964% T HG2 LYS+ 33 - QD LYS+ 81 33.333% * 0.6562% (0.67 1.0 10.00 0.02 4.99) = 0.656% 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 = 76.0: * O QE LYS+ 81 - QD LYS+ 81 100.000% *100.0000% (1.00 10.0 3.00 75.96) = 100.000% kept Peak 969 (4.10, 3.11, 42.12 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 3.39, residual support = 75.0: * T HA LYS+ 81 - QE LYS+ 81 25.000% * 98.7857% (1.00 10.00 3.43 75.96) = 98.786% kept HA GLU- 36 - QE LYS+ 81 25.000% * 1.1233% (0.96 1.00 0.24 0.02) = 1.123% kept HA ALA 124 - QE LYS+ 81 25.000% * 0.0539% (0.55 1.00 0.02 0.02) = 0.054% HA ARG+ 54 - QE LYS+ 81 25.000% * 0.0371% (0.38 1.00 0.02 0.02) = 0.037% 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 (0.06) kept Peak 975 (3.99, 4.20, 61.23 ppm): 16 chemical-shift based assignments, quality = 0.867, support = 2.69, residual support = 25.1: * O T HB2 SER 82 - HA SER 82 6.250% * 98.2504% (0.88 10.0 10.00 2.73 25.53) = 98.250% kept T HA SER 48 - HA SER 82 6.250% * 0.9825% (0.88 1.0 10.00 0.02 0.02) = 0.983% T HB2 SER 82 - HA GLU- 25 6.250% * 0.1704% (0.15 1.0 10.00 0.02 0.02) = 0.170% T HA SER 48 - HA GLU- 25 6.250% * 0.1704% (0.15 1.0 10.00 0.02 0.02) = 0.170% HA VAL 18 - HA SER 82 6.250% * 0.0871% (0.78 1.0 1.00 0.02 0.02) = 0.087% HA GLU- 29 - HA SER 82 6.250% * 0.0808% (0.73 1.0 1.00 0.02 0.02) = 0.081% HA ALA 88 - HA SER 82 6.250% * 0.0608% (0.55 1.0 1.00 0.02 0.02) = 0.061% HA LYS+ 33 - HA SER 82 6.250% * 0.0542% (0.49 1.0 1.00 0.02 0.57) = 0.054% HA GLN 32 - HA SER 82 6.250% * 0.0542% (0.49 1.0 1.00 0.02 0.02) = 0.054% HD2 PRO 52 - HA SER 82 6.250% * 0.0262% (0.24 1.0 1.00 0.02 0.02) = 0.026% HA VAL 18 - HA GLU- 25 6.250% * 0.0151% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA GLU- 29 - HA GLU- 25 6.250% * 0.0140% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ALA 88 - HA GLU- 25 6.250% * 0.0105% (0.09 1.0 1.00 0.02 0.02) = 0.011% HA LYS+ 33 - HA GLU- 25 6.250% * 0.0094% (0.08 1.0 1.00 0.02 0.02) = 0.009% HA GLN 32 - HA GLU- 25 6.250% * 0.0094% (0.08 1.0 1.00 0.02 0.02) = 0.009% HD2 PRO 52 - HA GLU- 25 6.250% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 976 (3.85, 4.20, 61.23 ppm): 14 chemical-shift based assignments, quality = 0.995, support = 1.92, residual support = 25.4: * O T HB3 SER 82 - HA SER 82 7.143% * 99.4883% (1.00 10.0 10.00 1.93 25.53) = 99.488% kept T HB3 SER 82 - HA GLU- 25 7.143% * 0.1725% (0.17 1.0 10.00 0.02 0.02) = 0.173% QB SER 13 - HA SER 82 7.143% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB THR 39 - HA SER 82 7.143% * 0.0664% (0.67 1.0 1.00 0.02 0.02) = 0.066% HB3 SER 37 - HA SER 82 7.143% * 0.0427% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ILE 89 - HA SER 82 7.143% * 0.0427% (0.43 1.0 1.00 0.02 0.02) = 0.043% HD3 PRO 52 - HA SER 82 7.143% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA GLN 30 - HA SER 82 7.143% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB SER 13 - HA GLU- 25 7.143% * 0.0125% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB THR 39 - HA GLU- 25 7.143% * 0.0115% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA ILE 89 - HA GLU- 25 7.143% * 0.0074% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 SER 37 - HA GLU- 25 7.143% * 0.0074% (0.07 1.0 1.00 0.02 0.02) = 0.007% HD3 PRO 52 - HA GLU- 25 7.143% * 0.0065% (0.07 1.0 1.00 0.02 0.02) = 0.006% HA GLN 30 - HA GLU- 25 7.143% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 977 (4.20, 3.99, 61.93 ppm): 4 chemical-shift based assignments, quality = 0.873, support = 2.71, residual support = 25.3: * O T HA SER 82 - HB2 SER 82 25.000% * 98.9590% (0.88 10.0 10.00 2.73 25.53) = 98.959% kept T HA SER 82 - HA SER 48 25.000% * 0.5434% (0.48 1.0 10.00 0.02 0.02) = 0.543% T HA GLU- 25 - HB2 SER 82 25.000% * 0.3213% (0.29 1.0 10.00 0.02 0.02) = 0.321% T HA GLU- 25 - HA SER 48 25.000% * 0.1764% (0.16 1.0 10.00 0.02 0.02) = 0.176% Peak 978 (3.99, 3.99, 61.93 ppm): 2 diagonal assignments: * HB2 SER 82 - HB2 SER 82 (0.78) kept HA SER 48 - HA SER 48 (0.43) kept Peak 979 (3.85, 3.99, 61.93 ppm): 14 chemical-shift based assignments, quality = 0.869, support = 2.25, residual support = 25.1: * O T HB3 SER 82 - HB2 SER 82 7.143% * 98.5004% (0.88 10.0 10.00 2.28 25.53) = 98.500% kept T HB3 SER 82 - HA SER 48 7.143% * 0.5408% (0.48 1.0 10.00 0.02 0.02) = 0.541% T HD3 PRO 52 - HB2 SER 82 7.143% * 0.3697% (0.33 1.0 10.00 0.02 0.02) = 0.370% T HD3 PRO 52 - HA SER 48 7.143% * 0.2030% (0.18 1.0 10.00 0.02 0.02) = 0.203% QB SER 13 - HB2 SER 82 7.143% * 0.0715% (0.64 1.0 1.00 0.02 0.02) = 0.072% HB THR 39 - HB2 SER 82 7.143% * 0.0657% (0.59 1.0 1.00 0.02 0.02) = 0.066% HA ILE 89 - HB2 SER 82 7.143% * 0.0423% (0.38 1.0 1.00 0.02 0.02) = 0.042% HB3 SER 37 - HB2 SER 82 7.143% * 0.0423% (0.38 1.0 1.00 0.02 0.02) = 0.042% QB SER 13 - HA SER 48 7.143% * 0.0393% (0.35 1.0 1.00 0.02 0.02) = 0.039% HB THR 39 - HA SER 48 7.143% * 0.0361% (0.32 1.0 1.00 0.02 0.02) = 0.036% HA GLN 30 - HB2 SER 82 7.143% * 0.0274% (0.25 1.0 1.00 0.02 0.02) = 0.027% HA ILE 89 - HA SER 48 7.143% * 0.0232% (0.21 1.0 1.00 0.02 0.02) = 0.023% HB3 SER 37 - HA SER 48 7.143% * 0.0232% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA GLN 30 - HA SER 48 7.143% * 0.0150% (0.13 1.0 1.00 0.02 0.02) = 0.015% Peak 980 (4.20, 3.85, 61.93 ppm): 2 chemical-shift based assignments, quality = 0.997, support = 1.93, residual support = 25.4: * O T HA SER 82 - HB3 SER 82 50.000% * 99.6764% (1.00 10.0 10.00 1.93 25.53) = 99.676% kept T HA GLU- 25 - HB3 SER 82 50.000% * 0.3236% (0.32 1.0 10.00 0.02 0.02) = 0.324% Peak 981 (3.99, 3.85, 61.93 ppm): 8 chemical-shift based assignments, quality = 0.863, support = 2.22, residual support = 24.8: * O T HB2 SER 82 - HB3 SER 82 12.500% * 96.9229% (0.88 10.0 10.00 2.28 25.53) = 96.923% kept HA LYS+ 33 - HB3 SER 82 12.500% * 1.5698% (0.49 1.0 1.00 0.59 0.57) = 1.570% kept T HA SER 48 - HB3 SER 82 12.500% * 0.9692% (0.88 1.0 10.00 0.02 0.02) = 0.969% T HD2 PRO 52 - HB3 SER 82 12.500% * 0.2589% (0.24 1.0 10.00 0.02 0.02) = 0.259% HA VAL 18 - HB3 SER 82 12.500% * 0.0860% (0.78 1.0 1.00 0.02 0.02) = 0.086% HA GLU- 29 - HB3 SER 82 12.500% * 0.0798% (0.73 1.0 1.00 0.02 0.02) = 0.080% HA ALA 88 - HB3 SER 82 12.500% * 0.0600% (0.55 1.0 1.00 0.02 0.02) = 0.060% HA GLN 32 - HB3 SER 82 12.500% * 0.0535% (0.49 1.0 1.00 0.02 0.02) = 0.053% 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): 6 chemical-shift based assignments, quality = 0.775, support = 3.88, residual support = 73.6: * O T HB VAL 83 - HA VAL 83 16.667% * 98.9723% (0.78 10.0 10.00 3.92 74.41) = 98.972% kept HB2 LYS+ 121 - HA VAL 83 16.667% * 0.5701% (0.92 1.0 1.00 0.10 0.02) = 0.570% T QB ALA 57 - HA VAL 83 16.667% * 0.2080% (0.16 1.0 10.00 0.02 0.02) = 0.208% QD LYS+ 65 - HA VAL 83 16.667% * 0.1116% (0.88 1.0 1.00 0.02 0.02) = 0.112% QD LYS+ 38 - HA VAL 83 16.667% * 0.0691% (0.55 1.0 1.00 0.02 0.02) = 0.069% HD2 LYS+ 74 - HA VAL 83 16.667% * 0.0691% (0.55 1.0 1.00 0.02 0.02) = 0.069% Peak 985 (0.60, 3.81, 65.84 ppm): 4 chemical-shift based assignments, quality = 0.73, support = 3.98, residual support = 72.3: * O T QG1 VAL 83 - HA VAL 83 25.000% * 97.1326% (0.73 10.0 10.00 4.08 74.41) = 97.133% kept QD1 LEU 104 - HA VAL 83 25.000% * 2.7132% (0.92 1.0 1.00 0.44 0.02) = 2.713% kept QD2 LEU 80 - HA VAL 83 25.000% * 0.0811% (0.61 1.0 1.00 0.02 0.02) = 0.081% QD2 LEU 115 - HA VAL 83 25.000% * 0.0730% (0.55 1.0 1.00 0.02 0.02) = 0.073% Peak 986 (0.08, 3.81, 65.84 ppm): 3 chemical-shift based assignments, quality = 0.985, support = 4.03, residual support = 70.9: * O T QG2 VAL 83 - HA VAL 83 33.333% * 95.2043% (1.00 10.0 10.00 4.18 74.41) = 95.204% kept QD1 ILE 89 - HA VAL 83 33.333% * 4.2235% (0.78 1.0 1.00 1.13 0.74) = 4.223% kept QD2 LEU 31 - HA VAL 83 33.333% * 0.5722% (0.49 1.0 1.00 0.25 0.02) = 0.572% Peak 987 (3.81, 1.66, 32.03 ppm): 4 chemical-shift based assignments, quality = 0.781, support = 3.91, residual support = 74.3: * O T HA VAL 83 - HB VAL 83 25.000% * 99.7865% (0.78 10.0 10.00 3.92 74.41) = 99.786% kept HA GLU- 100 - HB VAL 83 25.000% * 0.0993% (0.78 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - HB VAL 83 25.000% * 0.0978% (0.77 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - HB VAL 83 25.000% * 0.0164% (0.13 1.0 1.00 0.02 2.19) = 0.016% Peak 988 (1.66, 1.66, 32.03 ppm): 1 diagonal assignment: * HB VAL 83 - HB VAL 83 (0.61) kept Peak 989 (0.60, 1.66, 32.03 ppm): 4 chemical-shift based assignments, quality = 0.571, support = 3.97, residual support = 72.4: * O T QG1 VAL 83 - HB VAL 83 25.000% * 97.2512% (0.57 10.0 10.00 4.07 74.41) = 97.251% kept QD1 LEU 104 - HB VAL 83 25.000% * 2.5944% (0.72 1.0 1.00 0.42 0.02) = 2.594% kept QD2 LEU 80 - HB VAL 83 25.000% * 0.0812% (0.47 1.0 1.00 0.02 0.02) = 0.081% QD2 LEU 115 - HB VAL 83 25.000% * 0.0731% (0.43 1.0 1.00 0.02 0.02) = 0.073% Peak 990 (0.08, 1.66, 32.03 ppm): 3 chemical-shift based assignments, quality = 0.771, support = 4.02, residual support = 70.9: * O T QG2 VAL 83 - HB VAL 83 33.333% * 95.2041% (0.78 10.0 10.00 4.17 74.41) = 95.204% kept QD1 ILE 89 - HB VAL 83 33.333% * 4.2550% (0.61 1.0 1.00 1.14 0.74) = 4.255% kept QD2 LEU 31 - HB VAL 83 33.333% * 0.5409% (0.38 1.0 1.00 0.23 0.02) = 0.541% Peak 991 (3.81, 0.60, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 4.01, residual support = 73.0: * O T HA VAL 83 - QG1 VAL 83 25.000% * 98.1290% (0.73 10.0 10.00 4.08 74.41) = 98.129% kept HA GLU- 100 - QG1 VAL 83 25.000% * 1.7587% (0.72 1.0 1.00 0.36 0.02) = 1.759% kept HD2 PRO 58 - QG1 VAL 83 25.000% * 0.0962% (0.71 1.0 1.00 0.02 0.02) = 0.096% HB2 CYS 53 - QG1 VAL 83 25.000% * 0.0161% (0.12 1.0 1.00 0.02 2.19) = 0.016% Peak 992 (1.66, 0.60, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.569, support = 3.99, residual support = 72.7: * O T HB VAL 83 - QG1 VAL 83 16.667% * 97.6739% (0.57 10.0 10.00 4.07 74.41) = 97.674% kept HB2 LYS+ 121 - QG1 VAL 83 16.667% * 2.0592% (0.67 1.0 1.00 0.36 0.02) = 2.059% kept QD LYS+ 65 - QG1 VAL 83 16.667% * 0.1101% (0.64 1.0 1.00 0.02 0.02) = 0.110% QD LYS+ 38 - QG1 VAL 83 16.667% * 0.0681% (0.40 1.0 1.00 0.02 0.02) = 0.068% HD2 LYS+ 74 - QG1 VAL 83 16.667% * 0.0681% (0.40 1.0 1.00 0.02 0.02) = 0.068% QB ALA 57 - QG1 VAL 83 16.667% * 0.0205% (0.12 1.0 1.00 0.02 0.02) = 0.021% Peak 993 (0.60, 0.60, 22.78 ppm): 1 diagonal assignment: * QG1 VAL 83 - QG1 VAL 83 (0.53) kept Peak 994 (0.08, 0.60, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.717, support = 3.99, residual support = 71.4: * O T QG2 VAL 83 - QG1 VAL 83 33.333% * 95.9487% (0.73 10.0 10.00 4.13 74.41) = 95.949% kept QD1 ILE 89 - QG1 VAL 83 33.333% * 3.5678% (0.57 1.0 1.00 0.95 0.74) = 3.568% kept QD2 LEU 31 - QG1 VAL 83 33.333% * 0.4835% (0.35 1.0 1.00 0.21 0.02) = 0.483% Peak 995 (3.81, 0.08, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 4.17, residual support = 74.3: * O T HA VAL 83 - QG2 VAL 83 25.000% * 99.7865% (1.00 10.0 10.00 4.18 74.41) = 99.786% kept HA GLU- 100 - QG2 VAL 83 25.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - QG2 VAL 83 25.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 CYS 53 - QG2 VAL 83 25.000% * 0.0164% (0.16 1.0 1.00 0.02 2.19) = 0.016% Peak 996 (1.66, 0.08, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.773, support = 4.12, residual support = 73.5: * O T HB VAL 83 - QG2 VAL 83 16.667% * 98.7667% (0.78 10.0 10.00 4.17 74.41) = 98.767% kept HB2 LYS+ 121 - QG2 VAL 83 16.667% * 0.9634% (0.92 1.0 1.00 0.17 0.02) = 0.963% QD LYS+ 65 - QG2 VAL 83 16.667% * 0.1114% (0.88 1.0 1.00 0.02 0.02) = 0.111% QD LYS+ 38 - QG2 VAL 83 16.667% * 0.0689% (0.55 1.0 1.00 0.02 0.02) = 0.069% HD2 LYS+ 74 - QG2 VAL 83 16.667% * 0.0689% (0.55 1.0 1.00 0.02 0.02) = 0.069% QB ALA 57 - QG2 VAL 83 16.667% * 0.0208% (0.16 1.0 1.00 0.02 0.02) = 0.021% Peak 997 (0.60, 0.08, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.73, support = 4.03, residual support = 72.5: * O T QG1 VAL 83 - QG2 VAL 83 25.000% * 97.4218% (0.73 10.0 10.00 4.13 74.41) = 97.422% kept QD1 LEU 104 - QG2 VAL 83 25.000% * 2.4236% (0.92 1.0 1.00 0.39 0.02) = 2.424% kept QD2 LEU 80 - QG2 VAL 83 25.000% * 0.0814% (0.61 1.0 1.00 0.02 0.02) = 0.081% QD2 LEU 115 - QG2 VAL 83 25.000% * 0.0733% (0.55 1.0 1.00 0.02 0.02) = 0.073% 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 (0.85) kept Peak 1000 (1.35, 3.68, 55.33 ppm): 9 chemical-shift based assignments, quality = 0.847, support = 2.02, residual support = 10.1: * O T QB ALA 84 - HA ALA 84 11.111% * 99.4267% (0.85 10.0 10.00 2.03 10.16) = 99.427% kept HG LEU 98 - HA ALA 84 11.111% * 0.1072% (0.92 1.0 1.00 0.02 0.02) = 0.107% QB ALA 124 - HA ALA 84 11.111% * 0.1056% (0.90 1.0 1.00 0.02 0.02) = 0.106% HB3 PRO 93 - HA ALA 84 11.111% * 0.0951% (0.81 1.0 1.00 0.02 0.02) = 0.095% HB3 ASP- 44 - HA ALA 84 11.111% * 0.0900% (0.77 1.0 1.00 0.02 0.02) = 0.090% HB2 LEU 63 - HA ALA 84 11.111% * 0.0718% (0.62 1.0 1.00 0.02 0.14) = 0.072% HB3 LEU 80 - HA ALA 84 11.111% * 0.0524% (0.45 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 31 - HA ALA 84 11.111% * 0.0299% (0.26 1.0 1.00 0.02 0.02) = 0.030% HG2 LYS+ 111 - HA ALA 84 11.111% * 0.0213% (0.18 1.0 1.00 0.02 0.02) = 0.021% Peak 1001 (3.68, 1.35, 18.25 ppm): 5 chemical-shift based assignments, quality = 0.852, support = 1.97, residual support = 9.74: * O T HA ALA 84 - QB ALA 84 20.000% * 95.8537% (0.85 10.0 10.00 2.03 10.16) = 95.854% kept HB2 TRP 49 - QB ALA 84 20.000% * 3.8745% (0.92 1.0 1.00 0.75 0.02) = 3.874% kept HA THR 118 - QB ALA 84 20.000% * 0.1033% (0.92 1.0 1.00 0.02 0.02) = 0.103% HA ILE 119 - QB ALA 84 20.000% * 0.0993% (0.88 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 109 - QB ALA 84 20.000% * 0.0693% (0.62 1.0 1.00 0.02 0.02) = 0.069% Peak 1002 (1.35, 1.35, 18.25 ppm): 1 diagonal assignment: * QB ALA 84 - QB ALA 84 (0.85) 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): 7 chemical-shift based assignments, quality = 0.964, support = 1.86, residual support = 13.2: * O T QB SER 85 - HA SER 85 14.286% * 95.5941% (1.00 10.0 10.00 1.93 13.85) = 95.594% kept T HD2 PRO 52 - HA SER 85 14.286% * 3.8236% (0.20 1.0 10.00 0.40 0.15) = 3.824% kept T QB SER 48 - HA SER 85 14.286% * 0.3103% (0.32 1.0 10.00 0.02 0.02) = 0.310% HA2 GLY 16 - HA SER 85 14.286% * 0.0956% (1.00 1.0 1.00 0.02 0.02) = 0.096% HA LYS+ 65 - HA SER 85 14.286% * 0.0937% (0.98 1.0 1.00 0.02 0.02) = 0.094% HA ALA 120 - HA SER 85 14.286% * 0.0638% (0.67 1.0 1.00 0.02 0.02) = 0.064% HB THR 94 - HA SER 85 14.286% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 1005 (4.28, 3.96, 63.04 ppm): 16 chemical-shift based assignments, quality = 0.974, support = 1.85, residual support = 13.2: * O T HA SER 85 - QB SER 85 6.250% * 94.9403% (1.00 10.0 10.00 1.93 13.85) = 94.940% kept HA ASP- 44 - QB SER 85 6.250% * 2.0017% (0.98 1.0 1.00 0.43 0.02) = 2.002% kept HA GLU- 79 - QB SER 85 6.250% * 1.1198% (0.43 1.0 1.00 0.55 0.74) = 1.120% kept T HA ILE 103 - QB SER 85 6.250% * 0.9076% (0.96 1.0 10.00 0.02 0.02) = 0.908% T HA THR 39 - QB SER 85 6.250% * 0.3082% (0.32 1.0 10.00 0.02 0.02) = 0.308% T HA1 GLY 51 - QB SER 85 6.250% * 0.1879% (0.20 1.0 10.00 0.02 0.02) = 0.188% T HA SER 85 - QB SER 48 6.250% * 0.1239% (0.13 1.0 10.00 0.02 0.02) = 0.124% T HA ILE 103 - QB SER 48 6.250% * 0.1185% (0.12 1.0 10.00 0.02 0.02) = 0.118% HB THR 77 - QB SER 85 6.250% * 0.0949% (1.00 1.0 1.00 0.02 0.02) = 0.095% HA MET 11 - QB SER 85 6.250% * 0.0908% (0.96 1.0 1.00 0.02 0.02) = 0.091% T HA THR 39 - QB SER 48 6.250% * 0.0402% (0.04 1.0 10.00 0.02 0.02) = 0.040% T HA1 GLY 51 - QB SER 48 6.250% * 0.0245% (0.03 1.0 10.00 0.02 0.02) = 0.025% HB THR 77 - QB SER 48 6.250% * 0.0124% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA ASP- 44 - QB SER 48 6.250% * 0.0121% (0.13 1.0 1.00 0.02 0.02) = 0.012% HA MET 11 - QB SER 48 6.250% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% HA GLU- 79 - QB SER 48 6.250% * 0.0053% (0.06 1.0 1.00 0.02 0.02) = 0.005% 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 (0.04) 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 = 3.25, residual support = 31.7: * O T HB2 ASP- 86 - HA ASP- 86 20.000% * 98.7328% (1.00 10.0 10.00 3.29 32.07) = 98.733% kept HB2 ASN 28 - HA ASP- 86 20.000% * 1.0764% (0.61 1.0 1.00 0.36 0.02) = 1.076% kept QE LYS+ 65 - HA ASP- 86 20.000% * 0.0825% (0.84 1.0 1.00 0.02 0.02) = 0.082% HB2 ASN 35 - HA ASP- 86 20.000% * 0.0659% (0.67 1.0 1.00 0.02 0.02) = 0.066% QE LYS+ 33 - HA ASP- 86 20.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 1009 (2.44, 4.30, 57.50 ppm): 5 chemical-shift based assignments, quality = 0.879, support = 1.82, residual support = 23.8: * O T HB3 ASP- 86 - HA ASP- 86 20.000% * 73.5091% (1.00 10.0 10.00 2.00 32.07) = 73.509% kept T HB3 ASP- 62 - HA ASP- 86 20.000% * 26.3939% (0.55 1.0 10.00 1.32 0.90) = 26.394% kept HG2 GLU- 29 - HA ASP- 86 20.000% * 0.0679% (0.92 1.0 1.00 0.02 0.16) = 0.068% QE LYS+ 112 - HA ASP- 86 20.000% * 0.0145% (0.20 1.0 1.00 0.02 1.11) = 0.015% HB3 PHE 45 - HA ASP- 86 20.000% * 0.0145% (0.20 1.0 1.00 0.02 0.02) = 0.015% Peak 1010 (4.30, 2.94, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 3.28, residual support = 32.0: * O T HA ASP- 86 - HB2 ASP- 86 16.667% * 99.7184% (1.00 10.0 10.00 3.29 32.07) = 99.718% kept HA ALA 12 - HB2 ASP- 86 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 14 - HB2 ASP- 86 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA LEU 104 - HB2 ASP- 86 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA MET 11 - HB2 ASP- 86 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA ASP- 44 - HB2 ASP- 86 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 5 chemical-shift based assignments, quality = 0.982, support = 2.64, residual support = 30.4: * O T HB3 ASP- 86 - HB2 ASP- 86 20.000% * 94.6488% (1.00 10.0 10.00 2.73 32.07) = 94.649% kept HB3 ASP- 62 - HB2 ASP- 86 20.000% * 3.5257% (0.55 1.0 1.00 1.36 0.90) = 3.526% kept HG2 GLU- 29 - HB2 ASP- 86 20.000% * 1.7881% (0.92 1.0 1.00 0.41 0.16) = 1.788% kept QE LYS+ 112 - HB2 ASP- 86 20.000% * 0.0187% (0.20 1.0 1.00 0.02 1.11) = 0.019% HB3 PHE 45 - HB2 ASP- 86 20.000% * 0.0187% (0.20 1.0 1.00 0.02 0.02) = 0.019% Peak 1013 (4.30, 2.44, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 1.99, residual support = 32.0: * O T HA ASP- 86 - HB3 ASP- 86 16.667% * 99.7184% (1.00 10.0 10.00 2.00 32.07) = 99.718% kept HA ALA 12 - HB3 ASP- 86 16.667% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA GLU- 14 - HB3 ASP- 86 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA LEU 104 - HB3 ASP- 86 16.667% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA MET 11 - HB3 ASP- 86 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA ASP- 44 - HB3 ASP- 86 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1014 (2.94, 2.44, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 2.72, residual support = 32.0: * O T HB2 ASP- 86 - HB3 ASP- 86 20.000% * 99.7468% (1.00 10.0 10.00 2.73 32.07) = 99.747% kept QE LYS+ 65 - HB3 ASP- 86 20.000% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB2 ASN 35 - HB3 ASP- 86 20.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB2 ASN 28 - HB3 ASP- 86 20.000% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% QE LYS+ 33 - HB3 ASP- 86 20.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% 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 = 3.75, residual support = 59.9: * O T HB2 TRP 87 - HA TRP 87 50.000% * 95.3403% (1.00 10.0 10.00 3.88 62.78) = 95.340% kept HB2 PHE 60 - HA TRP 87 50.000% * 4.6597% (0.98 1.0 1.00 1.00 0.98) = 4.660% kept Peak 1018 (2.50, 4.34, 57.63 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.85, residual support = 62.7: * O T HB3 TRP 87 - HA TRP 87 33.333% * 99.8857% (1.00 10.0 10.00 3.86 62.78) = 99.886% kept HG3 GLN 116 - HA TRP 87 33.333% * 0.0979% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG2 GLU- 25 - HA TRP 87 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1019 (4.34, 3.41, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 3.85, residual support = 62.4: * O T HA TRP 87 - HB2 TRP 87 33.333% * 99.3253% (1.00 10.0 10.00 3.88 62.78) = 99.325% kept HA PHE 59 - HB2 TRP 87 33.333% * 0.6612% (0.38 1.0 1.00 0.35 0.10) = 0.661% HA LEU 104 - HB2 TRP 87 33.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% 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 = 62.7: * O T HB3 TRP 87 - HB2 TRP 87 33.333% * 99.8857% (1.00 10.0 10.00 3.97 62.78) = 99.886% kept HG3 GLN 116 - HB2 TRP 87 33.333% * 0.0979% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG2 GLU- 25 - HB2 TRP 87 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1022 (4.34, 2.50, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 3.83, residual support = 62.4: * O T HA TRP 87 - HB3 TRP 87 33.333% * 99.3253% (1.00 10.0 10.00 3.86 62.78) = 99.325% kept HA PHE 59 - HB3 TRP 87 33.333% * 0.6612% (0.38 1.0 1.00 0.35 0.10) = 0.661% HA LEU 104 - HB3 TRP 87 33.333% * 0.0134% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1023 (3.41, 2.50, 28.05 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 61.3: * O T HB2 TRP 87 - HB3 TRP 87 50.000% * 97.5443% (1.00 10.0 10.00 3.97 62.78) = 97.544% kept HB2 PHE 60 - HB3 TRP 87 50.000% * 2.4557% (0.98 1.0 1.00 0.51 0.98) = 2.456% 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): 5 chemical-shift based assignments, quality = 0.998, support = 1.62, residual support = 5.54: * O T QB ALA 88 - HA ALA 88 20.000% * 99.8079% (1.00 10.0 10.00 1.63 5.55) = 99.808% kept HG2 LYS+ 38 - HA ALA 88 20.000% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% QG2 THR 77 - HA ALA 88 20.000% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% HG2 LYS+ 99 - HA ALA 88 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG2 LYS+ 111 - HA ALA 88 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1027 (3.98, 1.31, 16.77 ppm): 7 chemical-shift based assignments, quality = 0.994, support = 1.62, residual support = 5.52: * O T HA ALA 88 - QB ALA 88 14.286% * 99.4225% (1.00 10.0 10.00 1.63 5.55) = 99.423% kept T HB2 SER 82 - QB ALA 88 14.286% * 0.2764% (0.28 1.0 10.00 0.02 0.02) = 0.276% HA GLN 32 - QB ALA 88 14.286% * 0.0989% (1.00 1.0 1.00 0.02 0.02) = 0.099% HA SER 48 - QB ALA 88 14.286% * 0.0830% (0.84 1.0 1.00 0.02 0.02) = 0.083% HD2 PRO 52 - QB ALA 88 14.286% * 0.0830% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA VAL 18 - QB ALA 88 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA GLU- 29 - QB ALA 88 14.286% * 0.0164% (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): 1 chemical-shift based assignment, quality = 0.607, support = 5.4, residual support = 179.9: * O T HB ILE 89 - HA ILE 89 100.000% *100.0000% (0.61 10.0 10.00 5.40 179.91) = 100.000% kept Peak 1031 (0.63, 3.87, 59.74 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 179.9: * O T QG2 ILE 89 - HA ILE 89 50.000% * 99.9764% (1.00 10.0 10.00 5.97 179.91) = 99.976% kept QG1 VAL 83 - HA ILE 89 50.000% * 0.0236% (0.24 1.0 1.00 0.02 0.74) = 0.024% Peak 1032 (1.22, 3.87, 59.74 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 5.41, residual support = 179.7: * O T HG12 ILE 89 - HA ILE 89 25.000% * 99.8659% (1.00 10.0 10.00 5.42 179.91) = 99.866% kept HG3 LYS+ 111 - HA ILE 89 25.000% * 0.0979% (0.98 1.0 1.00 0.02 0.52) = 0.098% HG LEU 71 - HA ILE 89 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 74 - HA ILE 89 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1033 (3.87, 1.74, 34.76 ppm): 6 chemical-shift based assignments, quality = 0.599, support = 5.23, residual support = 173.7: * O T HA ILE 89 - HB ILE 89 16.667% * 96.5247% (0.61 10.0 10.00 5.40 179.91) = 96.525% kept HB THR 118 - HB ILE 89 16.667% * 2.1954% (0.37 1.0 1.00 0.75 0.48) = 2.195% kept HB THR 39 - HB ILE 89 16.667% * 1.0566% (0.56 1.0 1.00 0.24 0.02) = 1.057% kept HB3 SER 37 - HB ILE 89 16.667% * 0.0965% (0.61 1.0 1.00 0.02 0.02) = 0.097% QB SER 13 - HB ILE 89 16.667% * 0.0852% (0.54 1.0 1.00 0.02 0.02) = 0.085% HB3 SER 82 - HB ILE 89 16.667% * 0.0415% (0.26 1.0 1.00 0.02 0.02) = 0.041% Peak 1034 (1.74, 1.74, 34.76 ppm): 1 diagonal assignment: * HB ILE 89 - HB ILE 89 (0.37) kept Peak 1035 (0.63, 1.74, 34.76 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 5.4, residual support = 179.9: * O T QG2 ILE 89 - HB ILE 89 50.000% * 99.9764% (0.61 10.0 10.00 5.40 179.91) = 99.976% kept QG1 VAL 83 - HB ILE 89 50.000% * 0.0236% (0.14 1.0 1.00 0.02 0.74) = 0.024% Peak 1036 (1.22, 1.74, 34.76 ppm): 4 chemical-shift based assignments, quality = 0.606, support = 4.99, residual support = 179.7: * O T HG12 ILE 89 - HB ILE 89 25.000% * 99.8659% (0.61 10.0 10.00 5.00 179.91) = 99.866% kept HG3 LYS+ 111 - HB ILE 89 25.000% * 0.0979% (0.59 1.0 1.00 0.02 0.52) = 0.098% HG LEU 71 - HB ILE 89 25.000% * 0.0198% (0.12 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 74 - HB ILE 89 25.000% * 0.0164% (0.10 1.0 1.00 0.02 0.02) = 0.016% Peak 1037 (3.87, 0.63, 17.89 ppm): 6 chemical-shift based assignments, quality = 0.983, support = 5.69, residual support = 170.8: * O T HA ILE 89 - QG2 ILE 89 16.667% * 94.9451% (1.00 10.0 10.00 5.97 179.91) = 94.945% kept HB THR 118 - QG2 ILE 89 16.667% * 2.1300% (0.61 1.0 1.00 0.74 0.48) = 2.130% kept HB3 SER 37 - QG2 ILE 89 16.667% * 1.5808% (1.00 1.0 1.00 0.33 0.02) = 1.581% kept HB3 SER 82 - QG2 ILE 89 16.667% * 1.1726% (0.43 1.0 1.00 0.58 0.02) = 1.173% kept HB THR 39 - QG2 ILE 89 16.667% * 0.0876% (0.92 1.0 1.00 0.02 0.02) = 0.088% QB SER 13 - QG2 ILE 89 16.667% * 0.0838% (0.88 1.0 1.00 0.02 0.02) = 0.084% Peak 1038 (1.74, 0.63, 17.89 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.4, residual support = 179.9: * O T HB ILE 89 - QG2 ILE 89 100.000% *100.0000% (0.61 10.0 10.00 5.40 179.91) = 100.000% kept 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): 4 chemical-shift based assignments, quality = 0.999, support = 5.18, residual support = 170.4: * O T HG12 ILE 89 - QG2 ILE 89 25.000% * 94.6985% (1.00 10.0 10.00 5.41 179.91) = 94.699% kept HG3 LYS+ 111 - QG2 ILE 89 25.000% * 5.2671% (0.98 1.0 1.00 1.13 0.52) = 5.267% kept HG LEU 71 - QG2 ILE 89 25.000% * 0.0187% (0.20 1.0 1.00 0.02 0.02) = 0.019% HG2 LYS+ 74 - QG2 ILE 89 25.000% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1041 (3.87, 1.22, 26.04 ppm): 6 chemical-shift based assignments, quality = 0.981, support = 5.24, residual support = 172.2: * O T HA ILE 89 - HG12 ILE 89 16.667% * 95.6788% (1.00 10.0 10.00 5.42 179.91) = 95.679% kept HB THR 118 - HG12 ILE 89 16.667% * 4.0116% (0.61 1.0 1.00 1.38 0.48) = 4.012% kept HB3 SER 37 - HG12 ILE 89 16.667% * 0.0957% (1.00 1.0 1.00 0.02 0.02) = 0.096% HB THR 39 - HG12 ILE 89 16.667% * 0.0883% (0.92 1.0 1.00 0.02 0.02) = 0.088% QB SER 13 - HG12 ILE 89 16.667% * 0.0844% (0.88 1.0 1.00 0.02 0.02) = 0.084% HB3 SER 82 - HG12 ILE 89 16.667% * 0.0411% (0.43 1.0 1.00 0.02 0.02) = 0.041% Peak 1042 (1.74, 1.22, 26.04 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.0, residual support = 179.9: * O T HB ILE 89 - HG12 ILE 89 100.000% *100.0000% (0.61 10.0 10.00 5.00 179.91) = 100.000% kept Peak 1043 (0.63, 1.22, 26.04 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 179.9: * O T QG2 ILE 89 - HG12 ILE 89 50.000% * 99.9764% (1.00 10.0 10.00 5.41 179.91) = 99.976% kept QG1 VAL 83 - HG12 ILE 89 50.000% * 0.0236% (0.24 1.0 1.00 0.02 0.74) = 0.024% Peak 1044 (1.22, 1.22, 26.04 ppm): 1 diagonal assignment: * HG12 ILE 89 - HG12 ILE 89 (1.00) kept Peak 1045 (4.46, 4.46, 56.09 ppm): 1 diagonal assignment: * HA GLN 90 - HA GLN 90 (0.91) kept Peak 1046 (2.15, 4.46, 56.09 ppm): 5 chemical-shift based assignments, quality = 0.583, support = 3.55, residual support = 68.0: * O T HB2 GLN 90 - HA GLN 90 20.000% * 95.4296% (0.58 10.0 10.00 3.72 71.31) = 95.430% kept HB3 GLU- 29 - HA GLN 90 20.000% * 2.1762% (0.84 1.0 1.00 0.31 0.02) = 2.176% kept T HB3 GLU- 79 - HA GLN 90 20.000% * 1.3885% (0.84 1.0 10.00 0.02 0.02) = 1.388% kept HG3 GLU- 29 - HA GLN 90 20.000% * 0.8552% (0.31 1.0 1.00 0.33 0.02) = 0.855% QB GLU- 36 - HA GLN 90 20.000% * 0.1504% (0.91 1.0 1.00 0.02 0.02) = 0.150% Peak 1047 (1.87, 4.46, 56.09 ppm): 12 chemical-shift based assignments, quality = 0.641, support = 3.44, residual support = 64.4: * O T HB3 GLN 90 - HA GLN 90 8.333% * 90.1936% (0.64 10.0 10.00 3.73 71.31) = 90.194% kept HB ILE 56 - HA GLN 90 8.333% * 6.3663% (0.84 1.0 1.00 1.07 0.91) = 6.366% kept HB3 GLN 30 - HA GLN 90 8.333% * 1.4889% (0.36 1.0 1.00 0.59 0.02) = 1.489% kept QB LYS+ 33 - HA GLN 90 8.333% * 1.3208% (0.52 1.0 1.00 0.36 0.02) = 1.321% kept HG2 ARG+ 54 - HA GLN 90 8.333% * 0.1744% (0.31 1.0 1.00 0.08 0.02) = 0.174% QB LYS+ 106 - HA GLN 90 8.333% * 0.1130% (0.80 1.0 1.00 0.02 0.02) = 0.113% QB LYS+ 81 - HA GLN 90 8.333% * 0.1058% (0.75 1.0 1.00 0.02 0.02) = 0.106% HB3 LYS+ 38 - HA GLN 90 8.333% * 0.0902% (0.64 1.0 1.00 0.02 0.02) = 0.090% HB3 ASP- 105 - HA GLN 90 8.333% * 0.0508% (0.36 1.0 1.00 0.02 0.02) = 0.051% HB ILE 103 - HA GLN 90 8.333% * 0.0376% (0.27 1.0 1.00 0.02 0.54) = 0.038% HG3 PRO 68 - HA GLN 90 8.333% * 0.0319% (0.23 1.0 1.00 0.02 0.02) = 0.032% HB2 MET 92 - HA GLN 90 8.333% * 0.0268% (0.19 1.0 1.00 0.02 0.29) = 0.027% Peak 1048 (2.27, 4.46, 56.09 ppm): 7 chemical-shift based assignments, quality = 0.744, support = 2.94, residual support = 70.9: * O T QG GLN 90 - HA GLN 90 14.286% * 99.4257% (0.75 10.0 10.00 2.96 71.31) = 99.426% kept QG GLU- 15 - HA GLN 90 14.286% * 0.1264% (0.95 1.0 1.00 0.02 0.02) = 0.126% HB2 ASP- 44 - HA GLN 90 14.286% * 0.1245% (0.94 1.0 1.00 0.02 0.02) = 0.125% QG GLU- 14 - HA GLN 90 14.286% * 0.1214% (0.91 1.0 1.00 0.02 0.02) = 0.121% HB3 PHE 72 - HA GLN 90 14.286% * 0.1121% (0.84 1.0 1.00 0.02 0.02) = 0.112% QB MET 11 - HA GLN 90 14.286% * 0.0546% (0.41 1.0 1.00 0.02 0.02) = 0.055% HG12 ILE 119 - HA GLN 90 14.286% * 0.0353% (0.27 1.0 1.00 0.02 0.02) = 0.035% Peak 1049 (4.46, 2.15, 31.73 ppm): 8 chemical-shift based assignments, quality = 0.572, support = 3.67, residual support = 70.4: * O T HA GLN 90 - HB2 GLN 90 12.500% * 98.7268% (0.58 10.0 10.00 3.72 71.31) = 98.727% kept T HA GLN 90 - HB3 GLU- 79 12.500% * 0.8800% (0.52 1.0 10.00 0.02 0.02) = 0.880% HA PHE 55 - HB2 GLN 90 12.500% * 0.1012% (0.59 1.0 1.00 0.02 0.02) = 0.101% HA PHE 55 - HB3 GLU- 79 12.500% * 0.0902% (0.53 1.0 1.00 0.02 0.02) = 0.090% HA ALA 110 - HB2 GLN 90 12.500% * 0.0863% (0.51 1.0 1.00 0.02 0.02) = 0.086% HA ALA 110 - HB3 GLU- 79 12.500% * 0.0769% (0.45 1.0 1.00 0.02 0.02) = 0.077% HA VAL 42 - HB2 GLN 90 12.500% * 0.0204% (0.12 1.0 1.00 0.02 0.02) = 0.020% HA VAL 42 - HB3 GLU- 79 12.500% * 0.0182% (0.11 1.0 1.00 0.02 0.02) = 0.018% Peak 1050 (2.15, 2.15, 31.73 ppm): 2 diagonal assignments: HB3 GLU- 79 - HB3 GLU- 79 (0.48) kept * HB2 GLN 90 - HB2 GLN 90 (0.37) kept Peak 1051 (1.87, 2.15, 31.73 ppm): 24 chemical-shift based assignments, quality = 0.386, support = 3.31, residual support = 60.6: * O T HB3 GLN 90 - HB2 GLN 90 4.167% * 84.8745% (0.40 10.0 10.00 3.71 71.31) = 84.875% kept QB LYS+ 33 - HB3 GLU- 79 4.167% * 5.7772% (0.30 1.0 1.00 1.87 0.19) = 5.777% kept QB LYS+ 81 - HB3 GLU- 79 4.167% * 3.8989% (0.42 1.0 1.00 0.88 0.48) = 3.899% kept QB LYS+ 33 - HB2 GLN 90 4.167% * 2.8254% (0.33 1.0 1.00 0.81 0.02) = 2.825% kept T HB3 LYS+ 38 - HB2 GLN 90 4.167% * 0.8487% (0.40 1.0 10.00 0.02 0.02) = 0.849% T HB3 GLN 90 - HB3 GLU- 79 4.167% * 0.7565% (0.36 1.0 10.00 0.02 0.02) = 0.757% HB ILE 56 - HB2 GLN 90 4.167% * 0.1123% (0.54 1.0 1.00 0.02 0.91) = 0.112% QB LYS+ 106 - HB2 GLN 90 4.167% * 0.1063% (0.51 1.0 1.00 0.02 0.02) = 0.106% HB ILE 56 - HB3 GLU- 79 4.167% * 0.1001% (0.48 1.0 1.00 0.02 0.02) = 0.100% QB LYS+ 81 - HB2 GLN 90 4.167% * 0.0996% (0.47 1.0 1.00 0.02 0.02) = 0.100% QB LYS+ 106 - HB3 GLU- 79 4.167% * 0.0947% (0.45 1.0 1.00 0.02 0.02) = 0.095% HB3 LYS+ 38 - HB3 GLU- 79 4.167% * 0.0757% (0.36 1.0 1.00 0.02 0.02) = 0.076% HB3 GLN 30 - HB2 GLN 90 4.167% * 0.0478% (0.23 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 105 - HB2 GLN 90 4.167% * 0.0478% (0.23 1.0 1.00 0.02 0.02) = 0.048% HB3 ASP- 105 - HB3 GLU- 79 4.167% * 0.0426% (0.20 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 30 - HB3 GLU- 79 4.167% * 0.0426% (0.20 1.0 1.00 0.02 0.02) = 0.043% HG2 ARG+ 54 - HB2 GLN 90 4.167% * 0.0413% (0.20 1.0 1.00 0.02 0.02) = 0.041% HG2 ARG+ 54 - HB3 GLU- 79 4.167% * 0.0368% (0.18 1.0 1.00 0.02 0.02) = 0.037% HB ILE 103 - HB2 GLN 90 4.167% * 0.0354% (0.17 1.0 1.00 0.02 0.54) = 0.035% HB ILE 103 - HB3 GLU- 79 4.167% * 0.0315% (0.15 1.0 1.00 0.02 0.02) = 0.032% HG3 PRO 68 - HB2 GLN 90 4.167% * 0.0300% (0.14 1.0 1.00 0.02 0.02) = 0.030% HG3 PRO 68 - HB3 GLU- 79 4.167% * 0.0267% (0.13 1.0 1.00 0.02 0.02) = 0.027% HB2 MET 92 - HB2 GLN 90 4.167% * 0.0252% (0.12 1.0 1.00 0.02 0.29) = 0.025% HB2 MET 92 - HB3 GLU- 79 4.167% * 0.0224% (0.11 1.0 1.00 0.02 0.02) = 0.022% Peak 1052 (2.27, 2.15, 31.73 ppm): 14 chemical-shift based assignments, quality = 0.465, support = 3.2, residual support = 69.9: * O T QG GLN 90 - HB2 GLN 90 7.143% * 98.0547% (0.47 10.0 10.00 3.26 71.31) = 98.055% kept T QG GLN 90 - HB3 GLU- 79 7.143% * 0.8740% (0.42 1.0 10.00 0.02 0.02) = 0.874% QG GLU- 15 - HB2 GLN 90 7.143% * 0.1247% (0.60 1.0 1.00 0.02 0.02) = 0.125% HB2 ASP- 44 - HB2 GLN 90 7.143% * 0.1228% (0.59 1.0 1.00 0.02 0.02) = 0.123% QG GLU- 14 - HB2 GLN 90 7.143% * 0.1198% (0.58 1.0 1.00 0.02 0.02) = 0.120% QG GLU- 15 - HB3 GLU- 79 7.143% * 0.1111% (0.54 1.0 1.00 0.02 0.02) = 0.111% HB3 PHE 72 - HB2 GLN 90 7.143% * 0.1106% (0.54 1.0 1.00 0.02 0.02) = 0.111% HB2 ASP- 44 - HB3 GLU- 79 7.143% * 0.1095% (0.53 1.0 1.00 0.02 0.02) = 0.109% QG GLU- 14 - HB3 GLU- 79 7.143% * 0.1067% (0.52 1.0 1.00 0.02 0.02) = 0.107% HB3 PHE 72 - HB3 GLU- 79 7.143% * 0.0985% (0.48 1.0 1.00 0.02 0.02) = 0.099% QB MET 11 - HB2 GLN 90 7.143% * 0.0538% (0.26 1.0 1.00 0.02 0.02) = 0.054% QB MET 11 - HB3 GLU- 79 7.143% * 0.0480% (0.23 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 119 - HB2 GLN 90 7.143% * 0.0348% (0.17 1.0 1.00 0.02 0.02) = 0.035% HG12 ILE 119 - HB3 GLU- 79 7.143% * 0.0310% (0.15 1.0 1.00 0.02 0.02) = 0.031% Peak 1053 (4.46, 1.87, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.636, support = 3.72, residual support = 71.2: * O T HA GLN 90 - HB3 GLN 90 25.000% * 99.7898% (0.64 10.0 10.00 3.73 71.31) = 99.790% kept HA PHE 55 - HB3 GLN 90 25.000% * 0.1023% (0.65 1.0 1.00 0.02 0.02) = 0.102% HA ALA 110 - HB3 GLN 90 25.000% * 0.0872% (0.56 1.0 1.00 0.02 0.02) = 0.087% HA VAL 42 - HB3 GLN 90 25.000% * 0.0207% (0.13 1.0 1.00 0.02 0.02) = 0.021% Peak 1054 (2.15, 1.87, 31.73 ppm): 5 chemical-shift based assignments, quality = 0.406, support = 3.64, residual support = 70.0: * O T HB2 GLN 90 - HB3 GLN 90 20.000% * 98.2206% (0.40 10.0 10.00 3.71 71.31) = 98.221% kept T HB3 GLU- 79 - HB3 GLN 90 20.000% * 1.4291% (0.59 1.0 10.00 0.02 0.02) = 1.429% kept QB GLU- 36 - HB3 GLN 90 20.000% * 0.1548% (0.64 1.0 1.00 0.02 0.02) = 0.155% HB3 GLU- 29 - HB3 GLN 90 20.000% * 0.1429% (0.59 1.0 1.00 0.02 0.02) = 0.143% HG3 GLU- 29 - HB3 GLN 90 20.000% * 0.0526% (0.22 1.0 1.00 0.02 0.02) = 0.053% Peak 1055 (1.87, 1.87, 31.73 ppm): 1 diagonal assignment: * HB3 GLN 90 - HB3 GLN 90 (0.44) kept Peak 1056 (2.27, 1.87, 31.73 ppm): 7 chemical-shift based assignments, quality = 0.516, support = 3.23, residual support = 70.5: * O T QG GLN 90 - HB3 GLN 90 14.286% * 98.9375% (0.52 10.0 10.00 3.27 71.31) = 98.937% kept HG12 ILE 119 - HB3 GLN 90 14.286% * 0.5261% (0.19 1.0 1.00 0.30 0.02) = 0.526% QG GLU- 15 - HB3 GLN 90 14.286% * 0.1258% (0.66 1.0 1.00 0.02 0.02) = 0.126% HB2 ASP- 44 - HB3 GLN 90 14.286% * 0.1239% (0.65 1.0 1.00 0.02 0.02) = 0.124% QG GLU- 14 - HB3 GLN 90 14.286% * 0.1208% (0.64 1.0 1.00 0.02 0.02) = 0.121% HB3 PHE 72 - HB3 GLN 90 14.286% * 0.1116% (0.59 1.0 1.00 0.02 0.02) = 0.112% QB MET 11 - HB3 GLN 90 14.286% * 0.0543% (0.29 1.0 1.00 0.02 0.02) = 0.054% Peak 1057 (4.46, 2.27, 34.07 ppm): 4 chemical-shift based assignments, quality = 0.747, support = 2.95, residual support = 71.2: * O T HA GLN 90 - QG GLN 90 25.000% * 99.7898% (0.75 10.0 10.00 2.96 71.31) = 99.790% kept HA PHE 55 - QG GLN 90 25.000% * 0.1023% (0.77 1.0 1.00 0.02 0.02) = 0.102% HA ALA 110 - QG GLN 90 25.000% * 0.0872% (0.65 1.0 1.00 0.02 0.02) = 0.087% HA VAL 42 - QG GLN 90 25.000% * 0.0207% (0.15 1.0 1.00 0.02 0.02) = 0.021% Peak 1058 (2.15, 2.27, 34.07 ppm): 5 chemical-shift based assignments, quality = 0.474, support = 3.19, residual support = 69.7: * O T HB2 GLN 90 - QG GLN 90 20.000% * 97.7580% (0.47 10.0 10.00 3.26 71.31) = 97.758% kept T HB3 GLU- 79 - QG GLN 90 20.000% * 1.4224% (0.69 1.0 10.00 0.02 0.02) = 1.422% kept T HG3 GLU- 29 - QG GLN 90 20.000% * 0.5233% (0.25 1.0 10.00 0.02 0.02) = 0.523% QB GLU- 36 - QG GLN 90 20.000% * 0.1541% (0.75 1.0 1.00 0.02 0.02) = 0.154% HB3 GLU- 29 - QG GLN 90 20.000% * 0.1422% (0.69 1.0 1.00 0.02 0.02) = 0.142% Peak 1059 (1.87, 2.27, 34.07 ppm): 12 chemical-shift based assignments, quality = 0.482, support = 2.95, residual support = 63.1: * O T HB3 GLN 90 - QG GLN 90 8.333% * 88.4640% (0.52 10.0 10.00 3.27 71.31) = 88.464% kept T HB2 MET 92 - QG GLN 90 8.333% * 8.3788% (0.15 1.0 10.00 0.64 0.29) = 8.379% kept QB LYS+ 33 - QG GLN 90 8.333% * 1.6748% (0.43 1.0 1.00 0.46 0.02) = 1.675% kept HB ILE 103 - QG GLN 90 8.333% * 0.8884% (0.22 1.0 1.00 0.48 0.54) = 0.888% HB ILE 56 - QG GLN 90 8.333% * 0.1170% (0.69 1.0 1.00 0.02 0.91) = 0.117% QB LYS+ 106 - QG GLN 90 8.333% * 0.1108% (0.65 1.0 1.00 0.02 0.02) = 0.111% QB LYS+ 81 - QG GLN 90 8.333% * 0.1038% (0.61 1.0 1.00 0.02 0.02) = 0.104% HB3 LYS+ 38 - QG GLN 90 8.333% * 0.0885% (0.52 1.0 1.00 0.02 0.02) = 0.088% HB3 ASP- 105 - QG GLN 90 8.333% * 0.0498% (0.29 1.0 1.00 0.02 0.02) = 0.050% HB3 GLN 30 - QG GLN 90 8.333% * 0.0498% (0.29 1.0 1.00 0.02 0.02) = 0.050% HG2 ARG+ 54 - QG GLN 90 8.333% * 0.0431% (0.25 1.0 1.00 0.02 0.02) = 0.043% HG3 PRO 68 - QG GLN 90 8.333% * 0.0313% (0.18 1.0 1.00 0.02 0.02) = 0.031% Peak 1060 (2.27, 2.27, 34.07 ppm): 1 diagonal assignment: * QG GLN 90 - QG GLN 90 (0.61) 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 = 0.979, support = 2.72, residual support = 13.3: * O T QB ALA 91 - HA ALA 91 11.111% * 97.9378% (1.00 10.0 10.00 2.78 13.61) = 97.938% kept T QG2 THR 39 - HA ALA 91 11.111% * 0.9794% (1.00 1.0 10.00 0.02 0.02) = 0.979% HG13 ILE 19 - HA ALA 91 11.111% * 0.8396% (0.67 1.0 1.00 0.26 0.02) = 0.840% HG3 LYS+ 38 - HA ALA 91 11.111% * 0.0767% (0.78 1.0 1.00 0.02 0.02) = 0.077% QG2 ILE 56 - HA ALA 91 11.111% * 0.0477% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG3 LYS+ 99 - HA ALA 91 11.111% * 0.0368% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG2 LYS+ 74 - HA ALA 91 11.111% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% HG LEU 71 - HA ALA 91 11.111% * 0.0272% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 34 - HA ALA 91 11.111% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1063 (4.49, 1.25, 21.56 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 2.76, residual support = 13.5: * O T HA ALA 91 - QB ALA 91 16.667% * 99.2742% (1.00 10.0 10.00 2.78 13.61) = 99.274% kept T HA ALA 91 - QG2 THR 39 16.667% * 0.4688% (0.47 1.0 10.00 0.02 0.02) = 0.469% HA VAL 107 - QB ALA 91 16.667% * 0.0916% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA TRP 27 - QB ALA 91 16.667% * 0.0829% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA VAL 107 - QG2 THR 39 16.667% * 0.0433% (0.44 1.0 1.00 0.02 0.02) = 0.043% HA TRP 27 - QG2 THR 39 16.667% * 0.0392% (0.39 1.0 1.00 0.02 0.02) = 0.039% 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 = 0.487, support = 3.97, residual support = 120.6: * O T HA PRO 93 - HD2 PRO 93 100.000% *100.0000% (0.49 10.0 10.00 3.97 120.60) = 100.000% kept Peak 1066 (2.06, 3.58, 50.24 ppm): 6 chemical-shift based assignments, quality = 0.486, support = 5.29, residual support = 120.4: * O T HB2 PRO 93 - HD2 PRO 93 16.667% * 99.7918% (0.49 10.0 10.00 5.30 120.60) = 99.792% kept HB2 ARG+ 54 - HD2 PRO 93 16.667% * 0.0725% (0.35 1.0 1.00 0.02 0.02) = 0.072% HB VAL 108 - HD2 PRO 93 16.667% * 0.0605% (0.30 1.0 1.00 0.02 0.02) = 0.061% HB ILE 119 - HD2 PRO 93 16.667% * 0.0277% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 30 - HD2 PRO 93 16.667% * 0.0277% (0.14 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 100 - HD2 PRO 93 16.667% * 0.0197% (0.10 1.0 1.00 0.02 0.02) = 0.020% Peak 1067 (1.81, 3.58, 50.24 ppm): 7 chemical-shift based assignments, quality = 0.485, support = 3.95, residual support = 120.2: * O T HG2 PRO 93 - HD2 PRO 93 14.286% * 99.6357% (0.49 10.0 10.00 3.97 120.60) = 99.636% kept QB LYS+ 102 - HD2 PRO 93 14.286% * 0.0832% (0.41 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 66 - HD2 PRO 93 14.286% * 0.0780% (0.38 1.0 1.00 0.02 0.02) = 0.078% QB LYS+ 65 - HD2 PRO 93 14.286% * 0.0665% (0.32 1.0 1.00 0.02 0.95) = 0.066% HB2 LEU 71 - HD2 PRO 93 14.286% * 0.0604% (0.30 1.0 1.00 0.02 0.02) = 0.060% HB VAL 41 - HD2 PRO 93 14.286% * 0.0485% (0.24 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 103 - HD2 PRO 93 14.286% * 0.0277% (0.14 1.0 1.00 0.02 0.02) = 0.028% Peak 1068 (3.58, 3.58, 50.24 ppm): 1 diagonal assignment: * HD2 PRO 93 - HD2 PRO 93 (0.24) kept Peak 1069 (3.34, 3.58, 50.24 ppm): 6 chemical-shift based assignments, quality = 0.376, support = 3.92, residual support = 119.1: * O T HD3 PRO 93 - HD2 PRO 93 16.667% * 98.7280% (0.38 10.0 10.00 3.97 120.60) = 98.728% kept T HD3 PRO 68 - HD2 PRO 93 16.667% * 0.9159% (0.35 1.0 10.00 0.02 0.02) = 0.916% HD2 ARG+ 54 - HD2 PRO 93 16.667% * 0.1261% (0.49 1.0 1.00 0.02 0.02) = 0.126% HB3 CYS 53 - HD2 PRO 93 16.667% * 0.1236% (0.48 1.0 1.00 0.02 0.02) = 0.124% QB PHE 55 - HD2 PRO 93 16.667% * 0.0765% (0.30 1.0 1.00 0.02 0.02) = 0.077% HB2 PHE 59 - HD2 PRO 93 16.667% * 0.0297% (0.11 1.0 1.00 0.02 0.02) = 0.030% Peak 1070 (5.07, 3.34, 50.24 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 4.99, residual support = 120.4: * O T HA PRO 93 - HD3 PRO 93 50.000% * 99.8296% (0.78 10.0 10.00 5.00 120.60) = 99.830% kept T HA PRO 93 - HD3 PRO 68 50.000% * 0.1704% (0.13 1.0 10.00 0.02 0.02) = 0.170% Peak 1071 (2.06, 3.34, 50.24 ppm): 12 chemical-shift based assignments, quality = 0.774, support = 5.33, residual support = 119.2: * O T HB2 PRO 93 - HD3 PRO 93 8.333% * 98.8337% (0.78 10.0 10.00 5.40 120.60) = 98.834% kept T HB2 ARG+ 54 - HD3 PRO 93 8.333% * 0.7177% (0.57 1.0 10.00 0.02 0.02) = 0.718% T HB2 PRO 93 - HD3 PRO 68 8.333% * 0.1687% (0.13 1.0 10.00 0.02 0.02) = 0.169% T HB2 ARG+ 54 - HD3 PRO 68 8.333% * 0.1225% (0.10 1.0 10.00 0.02 0.97) = 0.123% HB VAL 108 - HD3 PRO 93 8.333% * 0.0599% (0.47 1.0 1.00 0.02 0.02) = 0.060% HB ILE 119 - HD3 PRO 93 8.333% * 0.0275% (0.22 1.0 1.00 0.02 0.02) = 0.027% HB2 GLN 30 - HD3 PRO 93 8.333% * 0.0275% (0.22 1.0 1.00 0.02 0.02) = 0.027% HB3 GLU- 100 - HD3 PRO 93 8.333% * 0.0196% (0.15 1.0 1.00 0.02 0.02) = 0.020% HB VAL 108 - HD3 PRO 68 8.333% * 0.0102% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB ILE 119 - HD3 PRO 68 8.333% * 0.0047% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB2 GLN 30 - HD3 PRO 68 8.333% * 0.0047% (0.04 1.0 1.00 0.02 0.02) = 0.005% HB3 GLU- 100 - HD3 PRO 68 8.333% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1072 (1.81, 3.34, 50.24 ppm): 14 chemical-shift based assignments, quality = 0.767, support = 3.91, residual support = 117.8: * O T HG2 PRO 93 - HD3 PRO 93 7.143% * 97.6964% (0.78 10.0 10.00 4.00 120.60) = 97.696% kept T HG2 PRO 93 - HD3 PRO 68 7.143% * 1.8855% (0.13 1.0 10.00 0.23 0.02) = 1.885% kept QB LYS+ 102 - HD3 PRO 93 7.143% * 0.0816% (0.65 1.0 1.00 0.02 0.02) = 0.082% QB LYS+ 66 - HD3 PRO 93 7.143% * 0.0765% (0.61 1.0 1.00 0.02 0.02) = 0.076% QB LYS+ 65 - HD3 PRO 93 7.143% * 0.0652% (0.52 1.0 1.00 0.02 0.95) = 0.065% HB2 LEU 71 - HD3 PRO 93 7.143% * 0.0593% (0.47 1.0 1.00 0.02 0.02) = 0.059% HB VAL 41 - HD3 PRO 93 7.143% * 0.0476% (0.38 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 103 - HD3 PRO 93 7.143% * 0.0272% (0.22 1.0 1.00 0.02 0.02) = 0.027% QB LYS+ 102 - HD3 PRO 68 7.143% * 0.0139% (0.11 1.0 1.00 0.02 0.02) = 0.014% QB LYS+ 66 - HD3 PRO 68 7.143% * 0.0131% (0.10 1.0 1.00 0.02 0.02) = 0.013% QB LYS+ 65 - HD3 PRO 68 7.143% * 0.0111% (0.09 1.0 1.00 0.02 0.02) = 0.011% HB2 LEU 71 - HD3 PRO 68 7.143% * 0.0101% (0.08 1.0 1.00 0.02 0.02) = 0.010% HB VAL 41 - HD3 PRO 68 7.143% * 0.0081% (0.07 1.0 1.00 0.02 0.02) = 0.008% HG12 ILE 103 - HD3 PRO 68 7.143% * 0.0046% (0.04 1.0 1.00 0.02 0.02) = 0.005% Peak 1073 (3.58, 3.34, 50.24 ppm): 6 chemical-shift based assignments, quality = 0.393, support = 3.77, residual support = 113.4: * O T HD2 PRO 93 - HD3 PRO 93 16.667% * 94.0333% (0.38 10.0 10.00 3.97 120.60) = 94.033% kept HA THR 77 - HD3 PRO 93 16.667% * 5.6703% (0.61 1.0 1.00 0.75 0.02) = 5.670% kept T HD2 PRO 93 - HD3 PRO 68 16.667% * 0.1605% (0.07 1.0 10.00 0.02 0.02) = 0.161% HB2 TRP 27 - HD3 PRO 93 16.667% * 0.0940% (0.38 1.0 1.00 0.02 0.02) = 0.094% HA THR 77 - HD3 PRO 68 16.667% * 0.0258% (0.10 1.0 1.00 0.02 0.02) = 0.026% HB2 TRP 27 - HD3 PRO 68 16.667% * 0.0161% (0.07 1.0 1.00 0.02 0.02) = 0.016% Peak 1074 (3.34, 3.34, 50.24 ppm): 2 diagonal assignments: * HD3 PRO 93 - HD3 PRO 93 (0.61) kept HD3 PRO 68 - HD3 PRO 68 (0.10) 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): 6 chemical-shift based assignments, quality = 0.998, support = 5.9, residual support = 120.4: * O T HB2 PRO 93 - HA PRO 93 16.667% * 99.7918% (1.00 10.0 10.00 5.91 120.60) = 99.792% kept HB2 ARG+ 54 - HA PRO 93 16.667% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB VAL 108 - HA PRO 93 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% HB ILE 119 - HA PRO 93 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 30 - HA PRO 93 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 100 - HA PRO 93 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1077 (1.81, 5.07, 63.17 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 4.98, residual support = 120.2: * O T HG2 PRO 93 - HA PRO 93 14.286% * 99.6357% (1.00 10.0 10.00 5.00 120.60) = 99.636% kept QB LYS+ 102 - HA PRO 93 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 66 - HA PRO 93 14.286% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB LYS+ 65 - HA PRO 93 14.286% * 0.0665% (0.67 1.0 1.00 0.02 0.95) = 0.066% HB2 LEU 71 - HA PRO 93 14.286% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB VAL 41 - HA PRO 93 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 103 - HA PRO 93 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1078 (3.58, 5.07, 63.17 ppm): 3 chemical-shift based assignments, quality = 0.503, support = 3.78, residual support = 113.6: * O T HD2 PRO 93 - HA PRO 93 33.333% * 94.2240% (0.49 10.0 10.00 3.97 120.60) = 94.224% kept HA THR 77 - HA PRO 93 33.333% * 5.6818% (0.78 1.0 1.00 0.75 0.02) = 5.682% kept HB2 TRP 27 - HA PRO 93 33.333% * 0.0942% (0.49 1.0 1.00 0.02 0.02) = 0.094% Peak 1079 (3.34, 5.07, 63.17 ppm): 6 chemical-shift based assignments, quality = 0.773, support = 4.94, residual support = 119.1: * O T HD3 PRO 93 - HA PRO 93 16.667% * 98.7280% (0.78 10.0 10.00 5.00 120.60) = 98.728% kept T HD3 PRO 68 - HA PRO 93 16.667% * 0.9159% (0.73 1.0 10.00 0.02 0.02) = 0.916% HD2 ARG+ 54 - HA PRO 93 16.667% * 0.1261% (1.00 1.0 1.00 0.02 0.02) = 0.126% HB3 CYS 53 - HA PRO 93 16.667% * 0.1236% (0.98 1.0 1.00 0.02 0.02) = 0.124% QB PHE 55 - HA PRO 93 16.667% * 0.0765% (0.61 1.0 1.00 0.02 0.02) = 0.077% HB2 PHE 59 - HA PRO 93 16.667% * 0.0297% (0.24 1.0 1.00 0.02 0.02) = 0.030% Peak 1081 (2.06, 2.06, 34.10 ppm): 1 diagonal assignment: * HB2 PRO 93 - HB2 PRO 93 (1.00) kept Peak 1082 (1.81, 2.06, 34.10 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 5.38, residual support = 120.2: * O T HG2 PRO 93 - HB2 PRO 93 14.286% * 99.6357% (1.00 10.0 10.00 5.40 120.60) = 99.636% kept QB LYS+ 102 - HB2 PRO 93 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 66 - HB2 PRO 93 14.286% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB LYS+ 65 - HB2 PRO 93 14.286% * 0.0665% (0.67 1.0 1.00 0.02 0.95) = 0.066% HB2 LEU 71 - HB2 PRO 93 14.286% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB VAL 41 - HB2 PRO 93 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.048% HG12 ILE 103 - HB2 PRO 93 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1083 (3.58, 2.06, 34.10 ppm): 3 chemical-shift based assignments, quality = 0.503, support = 5.04, residual support = 113.6: * O T HD2 PRO 93 - HB2 PRO 93 33.333% * 94.2240% (0.49 10.0 10.00 5.30 120.60) = 94.224% kept HA THR 77 - HB2 PRO 93 33.333% * 5.6818% (0.78 1.0 1.00 0.75 0.02) = 5.682% kept HB2 TRP 27 - HB2 PRO 93 33.333% * 0.0942% (0.49 1.0 1.00 0.02 0.02) = 0.094% Peak 1084 (3.34, 2.06, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.777, support = 5.27, residual support = 117.7: * O T HD3 PRO 93 - HB2 PRO 93 16.667% * 97.6198% (0.78 10.0 10.00 5.40 120.60) = 97.620% kept T HD2 ARG+ 54 - HB2 PRO 93 16.667% * 1.2472% (1.00 1.0 10.00 0.02 0.02) = 1.247% kept T HD3 PRO 68 - HB2 PRO 93 16.667% * 0.9057% (0.73 1.0 10.00 0.02 0.02) = 0.906% HB3 CYS 53 - HB2 PRO 93 16.667% * 0.1223% (0.98 1.0 1.00 0.02 0.02) = 0.122% QB PHE 55 - HB2 PRO 93 16.667% * 0.0756% (0.61 1.0 1.00 0.02 0.02) = 0.076% HB2 PHE 59 - HB2 PRO 93 16.667% * 0.0294% (0.24 1.0 1.00 0.02 0.02) = 0.029% Peak 1085 (5.07, 1.81, 24.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 120.6: * O T HA PRO 93 - HG2 PRO 93 100.000% *100.0000% (1.00 10.0 10.00 5.00 120.60) = 100.000% kept Peak 1086 (2.06, 1.81, 24.81 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 120.4: * O T HB2 PRO 93 - HG2 PRO 93 16.667% * 99.7918% (1.00 10.0 10.00 5.40 120.60) = 99.792% kept HB2 ARG+ 54 - HG2 PRO 93 16.667% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB VAL 108 - HG2 PRO 93 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% HB ILE 119 - HG2 PRO 93 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 GLN 30 - HG2 PRO 93 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 GLU- 100 - HG2 PRO 93 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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 = 0.503, support = 3.78, residual support = 113.6: * O T HD2 PRO 93 - HG2 PRO 93 33.333% * 94.2240% (0.49 10.0 10.00 3.97 120.60) = 94.224% kept HA THR 77 - HG2 PRO 93 33.333% * 5.6818% (0.78 1.0 1.00 0.75 0.02) = 5.682% kept HB2 TRP 27 - HG2 PRO 93 33.333% * 0.0942% (0.49 1.0 1.00 0.02 0.02) = 0.094% Peak 1089 (3.34, 1.81, 24.81 ppm): 6 chemical-shift based assignments, quality = 0.773, support = 3.95, residual support = 119.1: * O T HD3 PRO 93 - HG2 PRO 93 16.667% * 98.7280% (0.78 10.0 10.00 4.00 120.60) = 98.728% kept T HD3 PRO 68 - HG2 PRO 93 16.667% * 0.9159% (0.73 1.0 10.00 0.02 0.02) = 0.916% HD2 ARG+ 54 - HG2 PRO 93 16.667% * 0.1261% (1.00 1.0 1.00 0.02 0.02) = 0.126% HB3 CYS 53 - HG2 PRO 93 16.667% * 0.1236% (0.98 1.0 1.00 0.02 0.02) = 0.124% QB PHE 55 - HG2 PRO 93 16.667% * 0.0765% (0.61 1.0 1.00 0.02 0.02) = 0.077% HB2 PHE 59 - HG2 PRO 93 16.667% * 0.0297% (0.24 1.0 1.00 0.02 0.02) = 0.030% 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): 8 chemical-shift based assignments, quality = 0.662, support = 2.41, residual support = 16.5: * O T HB THR 94 - HA THR 94 12.500% * 99.3016% (0.67 10.0 10.00 2.43 16.65) = 99.302% kept HA ALA 120 - HA THR 94 12.500% * 0.1489% (1.00 1.0 1.00 0.02 0.02) = 0.149% QB SER 48 - HA THR 94 12.500% * 0.1244% (0.84 1.0 1.00 0.02 0.02) = 0.124% QB SER 85 - HA THR 94 12.500% * 0.0993% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 16 - HA THR 94 12.500% * 0.0993% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 65 - HA THR 94 12.500% * 0.0813% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA LYS+ 121 - HA THR 94 12.500% * 0.0813% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA2 GLY 51 - HA THR 94 12.500% * 0.0640% (0.43 1.0 1.00 0.02 0.02) = 0.064% Peak 1092 (1.19, 4.95, 63.38 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 1.97, residual support = 16.3: * O T QG2 THR 94 - HA THR 94 25.000% * 98.1520% (1.00 10.0 10.00 2.00 16.65) = 98.152% kept HB3 LYS+ 112 - HA THR 94 25.000% * 1.7407% (1.00 1.0 1.00 0.36 0.43) = 1.741% kept HD2 LYS+ 112 - HA THR 94 25.000% * 0.0595% (0.61 1.0 1.00 0.02 0.43) = 0.060% HB3 LEU 71 - HA THR 94 25.000% * 0.0478% (0.49 1.0 1.00 0.02 0.02) = 0.048% Peak 1093 (4.95, 3.95, 72.97 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 2.43, residual support = 16.6: * O T HA THR 94 - HB THR 94 100.000% *100.0000% (0.67 10.0 10.00 2.43 16.65) = 100.000% kept Peak 1094 (3.95, 3.95, 72.97 ppm): 1 diagonal assignment: * HB THR 94 - HB THR 94 (0.44) kept Peak 1095 (1.19, 3.95, 72.97 ppm): 4 chemical-shift based assignments, quality = 0.661, support = 1.81, residual support = 16.1: * O T QG2 THR 94 - HB THR 94 25.000% * 96.3693% (0.67 10.0 10.00 1.86 16.65) = 96.369% kept HD2 LYS+ 112 - HB THR 94 25.000% * 2.1786% (0.40 1.0 1.00 0.75 0.43) = 2.179% kept HB3 LYS+ 112 - HB THR 94 25.000% * 1.4051% (0.66 1.0 1.00 0.29 0.43) = 1.405% kept HB3 LEU 71 - HB THR 94 25.000% * 0.0469% (0.32 1.0 1.00 0.02 0.02) = 0.047% Peak 1096 (4.95, 1.19, 21.81 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 16.6: * O T HA THR 94 - QG2 THR 94 100.000% *100.0000% (1.00 10.0 10.00 2.00 16.65) = 100.000% kept Peak 1097 (3.95, 1.19, 21.81 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 1.85, residual support = 16.5: * O T HB THR 94 - QG2 THR 94 12.500% * 99.3016% (0.67 10.0 10.00 1.86 16.65) = 99.302% kept HA ALA 120 - QG2 THR 94 12.500% * 0.1489% (1.00 1.0 1.00 0.02 0.02) = 0.149% QB SER 48 - QG2 THR 94 12.500% * 0.1244% (0.84 1.0 1.00 0.02 0.02) = 0.124% QB SER 85 - QG2 THR 94 12.500% * 0.0993% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA2 GLY 16 - QG2 THR 94 12.500% * 0.0993% (0.67 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 65 - QG2 THR 94 12.500% * 0.0813% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA LYS+ 121 - QG2 THR 94 12.500% * 0.0813% (0.55 1.0 1.00 0.02 0.02) = 0.081% HA2 GLY 51 - QG2 THR 94 12.500% * 0.0640% (0.43 1.0 1.00 0.02 0.02) = 0.064% 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 = 70.2: * O T HB2 PHE 95 - HA PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 70.16) = 100.000% kept Peak 1101 (2.54, 5.96, 55.53 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 70.1: * O T HB3 PHE 95 - HA PHE 95 50.000% * 99.9021% (1.00 10.0 10.00 3.44 70.16) = 99.902% kept HG2 GLN 116 - HA PHE 95 50.000% * 0.0979% (0.98 1.0 1.00 0.02 0.02) = 0.098% Peak 1102 (5.96, 3.20, 40.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 70.2: * O T HA PHE 95 - HB2 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 70.16) = 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): 2 chemical-shift based assignments, quality = 0.999, support = 3.0, residual support = 70.1: * O T HB3 PHE 95 - HB2 PHE 95 50.000% * 99.9021% (1.00 10.0 10.00 3.00 70.16) = 99.902% kept HG2 GLN 116 - HB2 PHE 95 50.000% * 0.0979% (0.98 1.0 1.00 0.02 0.02) = 0.098% Peak 1105 (5.96, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 70.2: * O T HA PHE 95 - HB3 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.44 70.16) = 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 = 70.2: * O T HB2 PHE 95 - HB3 PHE 95 100.000% *100.0000% (1.00 10.0 10.00 3.00 70.16) = 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 (0.91) kept Peak 1109 (2.21, 5.31, 54.03 ppm): 6 chemical-shift based assignments, quality = 0.954, support = 4.99, residual support = 106.0: * O T HB2 MET 96 - HA MET 96 16.667% * 99.7889% (0.96 10.0 10.00 5.00 106.22) = 99.789% kept HB VAL 70 - HA MET 96 16.667% * 0.0545% (0.52 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 100 - HA MET 96 16.667% * 0.0486% (0.47 1.0 1.00 0.02 0.02) = 0.049% QG GLN 17 - HA MET 96 16.667% * 0.0429% (0.41 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HA MET 96 16.667% * 0.0375% (0.36 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 25 - HA MET 96 16.667% * 0.0277% (0.27 1.0 1.00 0.02 0.02) = 0.028% Peak 1110 (1.93, 5.31, 54.03 ppm): 4 chemical-shift based assignments, quality = 0.954, support = 4.42, residual support = 106.0: * O T HB3 MET 96 - HA MET 96 25.000% * 99.8241% (0.96 10.0 10.00 4.43 106.22) = 99.824% kept HB3 GLU- 14 - HA MET 96 25.000% * 0.0725% (0.69 1.0 1.00 0.02 0.02) = 0.072% HB2 LEU 40 - HA MET 96 25.000% * 0.0605% (0.58 1.0 1.00 0.02 0.55) = 0.061% HG3 MET 11 - HA MET 96 25.000% * 0.0429% (0.41 1.0 1.00 0.02 0.02) = 0.043% Peak 1111 (2.61, 5.31, 54.03 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.44, residual support = 106.2: * O T HG2 MET 96 - HA MET 96 100.000% *100.0000% (0.96 10.0 10.00 4.44 106.22) = 100.000% kept Peak 1112 (2.47, 5.31, 54.03 ppm): 2 chemical-shift based assignments, quality = 0.31, support = 4.43, residual support = 106.0: * O T HG3 MET 96 - HA MET 96 50.000% * 99.7950% (0.31 10.0 10.00 4.44 106.22) = 99.795% kept HG2 GLU- 36 - HA MET 96 50.000% * 0.2050% (0.64 1.0 1.00 0.02 0.02) = 0.205% Peak 1113 (5.31, 2.21, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 5.0, residual support = 106.2: * O T HA MET 96 - HB2 MET 96 100.000% *100.0000% (0.96 10.0 10.00 5.00 106.22) = 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 = 4.27, residual support = 106.0: * O T HB3 MET 96 - HB2 MET 96 25.000% * 99.8241% (1.00 10.0 10.00 4.27 106.22) = 99.824% kept HB3 GLU- 14 - HB2 MET 96 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 LEU 40 - HB2 MET 96 25.000% * 0.0605% (0.61 1.0 1.00 0.02 0.55) = 0.061% HG3 MET 11 - HB2 MET 96 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 1116 (2.61, 2.21, 36.87 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.44, residual support = 106.2: * O T HG2 MET 96 - HB2 MET 96 100.000% *100.0000% (1.00 10.0 10.00 4.44 106.22) = 100.000% kept Peak 1117 (2.47, 2.21, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 4.18, residual support = 106.0: * O T HG3 MET 96 - HB2 MET 96 50.000% * 99.7950% (0.32 10.0 10.00 4.19 106.22) = 99.795% kept HG2 GLU- 36 - HB2 MET 96 50.000% * 0.2050% (0.67 1.0 1.00 0.02 0.02) = 0.205% Peak 1118 (5.31, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.43, residual support = 106.2: * O T HA MET 96 - HB3 MET 96 100.000% *100.0000% (0.96 10.0 10.00 4.43 106.22) = 100.000% kept Peak 1119 (2.21, 1.93, 36.87 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 4.26, residual support = 106.0: * O T HB2 MET 96 - HB3 MET 96 16.667% * 99.7889% (1.00 10.0 10.00 4.27 106.22) = 99.789% kept HB VAL 70 - HB3 MET 96 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 100 - HB3 MET 96 16.667% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QG GLN 17 - HB3 MET 96 16.667% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HB3 MET 96 16.667% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 25 - HB3 MET 96 16.667% * 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): 1 chemical-shift based assignment, quality = 1.0, support = 3.86, residual support = 106.2: * O T HG2 MET 96 - HB3 MET 96 100.000% *100.0000% (1.00 10.0 10.00 3.86 106.22) = 100.000% kept Peak 1122 (2.47, 1.93, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 3.71, residual support = 106.0: * O T HG3 MET 96 - HB3 MET 96 50.000% * 99.7950% (0.32 10.0 10.00 3.72 106.22) = 99.795% kept HG2 GLU- 36 - HB3 MET 96 50.000% * 0.2050% (0.67 1.0 1.00 0.02 0.02) = 0.205% Peak 1123 (5.31, 2.61, 32.67 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.44, residual support = 106.2: * O T HA MET 96 - HG2 MET 96 100.000% *100.0000% (0.96 10.0 10.00 4.44 106.22) = 100.000% kept Peak 1124 (2.21, 2.61, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 4.43, residual support = 106.0: * O T HB2 MET 96 - HG2 MET 96 16.667% * 99.7889% (1.00 10.0 10.00 4.44 106.22) = 99.789% kept HB VAL 70 - HG2 MET 96 16.667% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 100 - HG2 MET 96 16.667% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QG GLN 17 - HG2 MET 96 16.667% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HG2 MET 96 16.667% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 25 - HG2 MET 96 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1125 (1.93, 2.61, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.994, support = 3.82, residual support = 104.9: * O T HB3 MET 96 - HG2 MET 96 25.000% * 98.7168% (1.00 10.0 10.00 3.86 106.22) = 98.717% kept HB2 LEU 40 - HG2 MET 96 25.000% * 1.1691% (0.61 1.0 1.00 0.39 0.55) = 1.169% kept HB3 GLU- 14 - HG2 MET 96 25.000% * 0.0717% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG3 MET 11 - HG2 MET 96 25.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 1126 (2.61, 2.61, 32.67 ppm): 1 diagonal assignment: * HG2 MET 96 - HG2 MET 96 (1.00) kept Peak 1127 (2.47, 2.61, 32.67 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 3.99, residual support = 106.0: * O T HG3 MET 96 - HG2 MET 96 50.000% * 99.7950% (0.32 10.0 10.00 4.00 106.22) = 99.795% kept HG2 GLU- 36 - HG2 MET 96 50.000% * 0.2050% (0.67 1.0 1.00 0.02 0.02) = 0.205% Peak 1128 (5.31, 2.47, 32.67 ppm): 1 chemical-shift based assignment, quality = 0.31, support = 4.44, residual support = 106.2: * O T HA MET 96 - HG3 MET 96 100.000% *100.0000% (0.31 10.0 10.00 4.44 106.22) = 100.000% kept Peak 1129 (2.21, 2.47, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.324, support = 4.18, residual support = 106.0: * O T HB2 MET 96 - HG3 MET 96 16.667% * 99.7889% (0.32 10.0 10.00 4.19 106.22) = 99.789% kept HB VAL 70 - HG3 MET 96 16.667% * 0.0545% (0.18 1.0 1.00 0.02 0.02) = 0.054% HG2 GLU- 100 - HG3 MET 96 16.667% * 0.0486% (0.16 1.0 1.00 0.02 0.02) = 0.049% QG GLN 17 - HG3 MET 96 16.667% * 0.0429% (0.14 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HG3 MET 96 16.667% * 0.0375% (0.12 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 25 - HG3 MET 96 16.667% * 0.0277% (0.09 1.0 1.00 0.02 0.02) = 0.028% Peak 1130 (1.93, 2.47, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.323, support = 3.68, residual support = 104.9: * O T HB3 MET 96 - HG3 MET 96 25.000% * 98.7963% (0.32 10.0 10.00 3.72 106.22) = 98.796% kept HB2 LEU 40 - HG3 MET 96 25.000% * 1.0895% (0.20 1.0 1.00 0.36 0.55) = 1.090% kept HB3 GLU- 14 - HG3 MET 96 25.000% * 0.0717% (0.24 1.0 1.00 0.02 0.02) = 0.072% HG3 MET 11 - HG3 MET 96 25.000% * 0.0424% (0.14 1.0 1.00 0.02 0.02) = 0.042% Peak 1131 (2.61, 2.47, 32.67 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 4.0, residual support = 106.2: * O T HG2 MET 96 - HG3 MET 96 100.000% *100.0000% (0.32 10.0 10.00 4.00 106.22) = 100.000% kept Peak 1132 (2.47, 2.47, 32.67 ppm): 1 diagonal assignment: * HG3 MET 96 - HG3 MET 96 (0.11) 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): 4 chemical-shift based assignments, quality = 0.998, support = 2.76, residual support = 52.1: * O T HB2 PHE 97 - HA PHE 97 25.000% * 99.8285% (1.00 10.0 10.00 2.76 52.15) = 99.829% kept HB3 TRP 27 - HA PHE 97 25.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HA PHE 97 25.000% * 0.0486% (0.49 1.0 1.00 0.02 8.02) = 0.049% HB3 PHE 60 - HA PHE 97 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1135 (2.36, 5.36, 56.63 ppm): 4 chemical-shift based assignments, quality = 0.873, support = 3.34, residual support = 50.6: * O T HB3 PHE 97 - HA PHE 97 25.000% * 96.9515% (0.88 10.0 10.00 3.43 52.15) = 96.951% kept HB2 GLN 116 - HA PHE 97 25.000% * 1.7400% (0.67 1.0 1.00 0.47 0.02) = 1.740% kept HB2 GLU- 100 - HA PHE 97 25.000% * 1.2225% (0.49 1.0 1.00 0.46 0.02) = 1.222% kept HB2 PRO 58 - HA PHE 97 25.000% * 0.0860% (0.78 1.0 1.00 0.02 0.02) = 0.086% Peak 1136 (5.36, 2.99, 40.60 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 2.76, residual support = 52.2: * O T HA PHE 97 - HB2 PHE 97 100.000% *100.0000% (1.00 10.0 10.00 2.76 52.15) = 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 = 0.874, support = 3.23, residual support = 51.2: * O T HB3 PHE 97 - HB2 PHE 97 25.000% * 98.1204% (0.88 10.0 10.00 3.28 52.15) = 98.120% kept HB2 GLU- 100 - HB2 PHE 97 25.000% * 1.7185% (0.49 1.0 1.00 0.64 0.02) = 1.718% kept HB2 PRO 58 - HB2 PHE 97 25.000% * 0.0870% (0.78 1.0 1.00 0.02 0.02) = 0.087% HB2 GLN 116 - HB2 PHE 97 25.000% * 0.0742% (0.67 1.0 1.00 0.02 0.02) = 0.074% Peak 1139 (5.36, 2.36, 40.60 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 3.43, residual support = 52.2: * O T HA PHE 97 - HB3 PHE 97 100.000% *100.0000% (0.88 10.0 10.00 3.43 52.15) = 100.000% kept Peak 1140 (2.99, 2.36, 40.60 ppm): 4 chemical-shift based assignments, quality = 0.881, support = 3.27, residual support = 52.1: * O T HB2 PHE 97 - HB3 PHE 97 25.000% * 99.8285% (0.88 10.0 10.00 3.28 52.15) = 99.829% kept HB3 TRP 27 - HB3 PHE 97 25.000% * 0.0993% (0.88 1.0 1.00 0.02 0.02) = 0.099% QE LYS+ 106 - HB3 PHE 97 25.000% * 0.0486% (0.43 1.0 1.00 0.02 8.02) = 0.049% HB3 PHE 60 - HB3 PHE 97 25.000% * 0.0235% (0.21 1.0 1.00 0.02 0.02) = 0.024% Peak 1141 (2.36, 2.36, 40.60 ppm): 1 diagonal assignment: * HB3 PHE 97 - HB3 PHE 97 (0.78) 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): 8 chemical-shift based assignments, quality = 0.724, support = 4.72, residual support = 57.3: * O T QB LEU 98 - HA LEU 98 12.500% * 96.3919% (0.73 10.0 10.00 4.89 59.44) = 96.392% kept HB2 LEU 80 - HA LEU 98 12.500% * 2.6061% (0.92 1.0 1.00 0.43 0.02) = 2.606% kept HG LEU 80 - HA LEU 98 12.500% * 0.6197% (0.20 1.0 1.00 0.47 0.02) = 0.620% HD3 LYS+ 121 - HA LEU 98 12.500% * 0.1327% (1.00 1.0 1.00 0.02 0.02) = 0.133% HB3 LYS+ 74 - HA LEU 98 12.500% * 0.1321% (1.00 1.0 1.00 0.02 0.02) = 0.132% QB ALA 12 - HA LEU 98 12.500% * 0.0431% (0.32 1.0 1.00 0.02 0.12) = 0.043% HG12 ILE 19 - HA LEU 98 12.500% * 0.0431% (0.32 1.0 1.00 0.02 0.02) = 0.043% QB ALA 110 - HA LEU 98 12.500% * 0.0313% (0.24 1.0 1.00 0.02 0.02) = 0.031% Peak 1144 (0.71, 5.51, 53.84 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.31, residual support = 59.4: * T QD1 LEU 98 - HA LEU 98 100.000% *100.0000% (1.00 10.00 4.31 59.44) = 100.000% kept Peak 1145 (0.55, 5.51, 53.84 ppm): 4 chemical-shift based assignments, quality = 0.989, support = 3.73, residual support = 58.8: * T QD2 LEU 98 - HA LEU 98 25.000% * 98.9102% (1.00 10.00 3.77 59.44) = 98.910% kept T QD1 LEU 80 - HA LEU 98 25.000% * 0.9891% (1.00 10.00 0.02 0.02) = 0.989% QG2 VAL 41 - HA LEU 98 25.000% * 0.0873% (0.88 1.00 0.02 11.13) = 0.087% QD2 LEU 63 - HA LEU 98 25.000% * 0.0134% (0.14 1.00 0.02 0.12) = 0.013% Peak 1146 (5.51, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 4.89, residual support = 59.4: * O T HA LEU 98 - QB LEU 98 100.000% *100.0000% (0.73 10.0 10.00 4.89 59.44) = 100.000% kept Peak 1147 (1.41, 1.41, 47.50 ppm): 1 diagonal assignment: * QB LEU 98 - QB LEU 98 (0.53) kept Peak 1148 (0.71, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.85, residual support = 59.4: * O T QD1 LEU 98 - QB LEU 98 100.000% *100.0000% (0.73 10.0 10.00 2.85 59.44) = 100.000% kept Peak 1149 (0.55, 1.41, 47.50 ppm): 4 chemical-shift based assignments, quality = 0.717, support = 2.54, residual support = 57.6: * O T QD2 LEU 98 - QB LEU 98 25.000% * 96.3321% (0.73 10.0 10.00 2.62 59.44) = 96.332% kept QG2 VAL 41 - QB LEU 98 25.000% * 2.6915% (0.64 1.0 1.00 0.63 11.13) = 2.692% kept T QD1 LEU 80 - QB LEU 98 25.000% * 0.9633% (0.73 1.0 10.00 0.02 0.02) = 0.963% QD2 LEU 63 - QB LEU 98 25.000% * 0.0130% (0.10 1.0 1.00 0.02 0.12) = 0.013% Peak 1150 (5.51, 0.71, 25.69 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.31, residual support = 59.4: * T HA LEU 98 - QD1 LEU 98 100.000% *100.0000% (1.00 10.00 4.31 59.44) = 100.000% kept Peak 1151 (1.41, 0.71, 25.69 ppm): 8 chemical-shift based assignments, quality = 0.719, support = 2.78, residual support = 57.9: * O T QB LEU 98 - QD1 LEU 98 12.500% * 97.4801% (0.73 10.0 10.00 2.85 59.44) = 97.480% kept HB2 LEU 80 - QD1 LEU 98 12.500% * 1.2246% (0.92 1.0 1.00 0.20 0.02) = 1.225% kept QB ALA 12 - QD1 LEU 98 12.500% * 0.9256% (0.32 1.0 1.00 0.42 0.12) = 0.926% HD3 LYS+ 121 - QD1 LEU 98 12.500% * 0.1342% (1.00 1.0 1.00 0.02 0.02) = 0.134% HB3 LYS+ 74 - QD1 LEU 98 12.500% * 0.1336% (1.00 1.0 1.00 0.02 0.02) = 0.134% HG12 ILE 19 - QD1 LEU 98 12.500% * 0.0436% (0.32 1.0 1.00 0.02 0.02) = 0.044% QB ALA 110 - QD1 LEU 98 12.500% * 0.0316% (0.24 1.0 1.00 0.02 0.02) = 0.032% HG LEU 80 - QD1 LEU 98 12.500% * 0.0266% (0.20 1.0 1.00 0.02 0.02) = 0.027% 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 = 2.18, residual support = 58.8: * O T QD2 LEU 98 - QD1 LEU 98 25.000% * 98.9102% (1.00 10.0 10.00 2.21 59.44) = 98.910% kept T QD1 LEU 80 - QD1 LEU 98 25.000% * 0.9891% (1.00 1.0 10.00 0.02 0.02) = 0.989% QG2 VAL 41 - QD1 LEU 98 25.000% * 0.0873% (0.88 1.0 1.00 0.02 11.13) = 0.087% QD2 LEU 63 - QD1 LEU 98 25.000% * 0.0134% (0.14 1.0 1.00 0.02 0.12) = 0.013% Peak 1154 (5.51, 0.55, 25.87 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 3.75, residual support = 59.1: * T HA LEU 98 - QD2 LEU 98 50.000% * 99.4301% (1.00 10.00 3.77 59.44) = 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): 16 chemical-shift based assignments, quality = 0.605, support = 2.34, residual support = 53.6: * O T QB LEU 98 - QD2 LEU 98 6.250% * 51.0824% (0.73 10.0 10.00 2.62 59.44) = 51.082% kept O T HB2 LEU 80 - QD1 LEU 80 6.250% * 37.2230% (0.53 10.0 10.00 2.21 51.41) = 37.223% kept O HG LEU 80 - QD1 LEU 80 6.250% * 7.9799% (0.11 10.0 1.00 2.20 51.41) = 7.980% kept T HB2 LEU 80 - QD2 LEU 98 6.250% * 3.0891% (0.92 1.0 10.00 0.10 0.02) = 3.089% kept T QB LEU 98 - QD1 LEU 80 6.250% * 0.2928% (0.42 1.0 10.00 0.02 0.02) = 0.293% HD3 LYS+ 121 - QD2 LEU 98 6.250% * 0.0703% (1.00 1.0 1.00 0.02 0.02) = 0.070% HB3 LYS+ 74 - QD2 LEU 98 6.250% * 0.0700% (1.00 1.0 1.00 0.02 0.02) = 0.070% HD3 LYS+ 121 - QD1 LEU 80 6.250% * 0.0403% (0.57 1.0 1.00 0.02 0.02) = 0.040% HB3 LYS+ 74 - QD1 LEU 80 6.250% * 0.0401% (0.57 1.0 1.00 0.02 0.02) = 0.040% QB ALA 12 - QD2 LEU 98 6.250% * 0.0228% (0.32 1.0 1.00 0.02 0.12) = 0.023% HG12 ILE 19 - QD2 LEU 98 6.250% * 0.0228% (0.32 1.0 1.00 0.02 0.02) = 0.023% QB ALA 110 - QD2 LEU 98 6.250% * 0.0166% (0.24 1.0 1.00 0.02 0.02) = 0.017% HG LEU 80 - QD2 LEU 98 6.250% * 0.0139% (0.20 1.0 1.00 0.02 0.02) = 0.014% QB ALA 12 - QD1 LEU 80 6.250% * 0.0131% (0.19 1.0 1.00 0.02 0.02) = 0.013% HG12 ILE 19 - QD1 LEU 80 6.250% * 0.0131% (0.19 1.0 1.00 0.02 0.02) = 0.013% QB ALA 110 - QD1 LEU 80 6.250% * 0.0095% (0.14 1.0 1.00 0.02 0.02) = 0.010% Peak 1156 (0.71, 0.55, 25.87 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 2.19, residual support = 59.1: * O T QD1 LEU 98 - QD2 LEU 98 50.000% * 99.4301% (1.00 10.0 10.00 2.21 59.44) = 99.430% kept T QD1 LEU 98 - QD1 LEU 80 50.000% * 0.5699% (0.57 1.0 10.00 0.02 0.02) = 0.570% 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): 6 chemical-shift based assignments, quality = 0.986, support = 6.28, residual support = 141.2: * O T HG3 LYS+ 99 - HA LYS+ 99 16.667% * 97.9487% (1.00 10.0 10.00 6.40 144.19) = 97.949% kept QG2 THR 39 - HA LYS+ 99 16.667% * 1.7346% (0.38 1.0 1.00 0.94 0.02) = 1.735% kept HG2 LYS+ 74 - HA LYS+ 99 16.667% * 0.0975% (1.00 1.0 1.00 0.02 0.02) = 0.097% HG LEU 71 - HA LYS+ 99 16.667% * 0.0960% (0.98 1.0 1.00 0.02 0.02) = 0.096% HG13 ILE 19 - HA LYS+ 99 16.667% * 0.0864% (0.88 1.0 1.00 0.02 0.02) = 0.086% QB ALA 91 - HA LYS+ 99 16.667% * 0.0368% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1161 (1.70, 4.38, 58.15 ppm): 6 chemical-shift based assignments, quality = 0.986, support = 5.72, residual support = 142.2: * T QD LYS+ 99 - HA LYS+ 99 16.667% * 98.6019% (1.00 10.00 5.80 144.19) = 98.602% kept T QD LYS+ 106 - HA LYS+ 99 16.667% * 0.9811% (1.00 10.00 0.02 0.02) = 0.981% T QG1 ILE 56 - HA LYS+ 99 16.667% * 0.2325% (0.24 10.00 0.02 0.02) = 0.232% HB2 LEU 73 - HA LYS+ 99 16.667% * 0.0824% (0.84 1.00 0.02 0.02) = 0.082% HB3 MET 92 - HA LYS+ 99 16.667% * 0.0598% (0.61 1.00 0.02 0.02) = 0.060% HD2 LYS+ 111 - HA LYS+ 99 16.667% * 0.0424% (0.43 1.00 0.02 0.02) = 0.042% Peak 1162 (1.33, 4.38, 58.15 ppm): 8 chemical-shift based assignments, quality = 0.978, support = 4.71, residual support = 91.4: * O T HG2 LYS+ 99 - HA LYS+ 99 12.500% * 63.2216% (1.00 10.0 10.00 6.77 144.19) = 63.222% kept T HG2 LYS+ 38 - HA LYS+ 99 12.500% * 35.5867% (0.96 1.0 10.00 1.18 0.60) = 35.587% kept QB ALA 88 - HA LYS+ 99 12.500% * 1.0450% (0.49 1.0 1.00 0.68 0.02) = 1.045% kept HG2 LYS+ 111 - HA LYS+ 99 12.500% * 0.0495% (0.78 1.0 1.00 0.02 0.02) = 0.049% HB2 LEU 31 - HA LYS+ 99 12.500% * 0.0422% (0.67 1.0 1.00 0.02 0.02) = 0.042% HB3 LEU 80 - HA LYS+ 99 12.500% * 0.0272% (0.43 1.0 1.00 0.02 0.40) = 0.027% HB2 LEU 63 - HA LYS+ 99 12.500% * 0.0176% (0.28 1.0 1.00 0.02 0.02) = 0.018% HB3 ASP- 44 - HA LYS+ 99 12.500% * 0.0104% (0.16 1.0 1.00 0.02 0.02) = 0.010% Peak 1163 (3.01, 4.38, 58.15 ppm): 4 chemical-shift based assignments, quality = 0.968, support = 5.48, residual support = 136.9: * T QE LYS+ 99 - HA LYS+ 99 25.000% * 94.9665% (1.00 10.00 5.77 144.19) = 94.966% kept T QE LYS+ 102 - HA LYS+ 99 25.000% * 4.2746% (0.43 10.00 0.21 0.02) = 4.275% kept T QE LYS+ 38 - HA LYS+ 99 25.000% * 0.7433% (0.78 10.00 0.02 0.60) = 0.743% HB3 TRP 27 - HA LYS+ 99 25.000% * 0.0156% (0.16 1.00 0.02 0.02) = 0.016% Peak 1164 (4.38, 1.77, 37.34 ppm): 5 chemical-shift based assignments, quality = 0.989, support = 6.64, residual support = 136.4: * O T HA LYS+ 99 - HB2 LYS+ 99 20.000% * 94.5432% (1.00 10.0 10.00 6.98 144.19) = 94.543% kept HA ASN 35 - HB2 LYS+ 99 20.000% * 3.2728% (0.92 1.0 1.00 0.75 2.09) = 3.273% kept HA ASP- 113 - HB2 LYS+ 99 20.000% * 2.0320% (0.67 1.0 1.00 0.64 0.02) = 2.032% kept HA ILE 56 - HB2 LYS+ 99 20.000% * 0.0834% (0.88 1.0 1.00 0.02 0.02) = 0.083% HA LEU 123 - HB2 LYS+ 99 20.000% * 0.0687% (0.73 1.0 1.00 0.02 0.02) = 0.069% 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): 6 chemical-shift based assignments, quality = 0.99, support = 5.93, residual support = 142.2: * O T HG3 LYS+ 99 - HB2 LYS+ 99 16.667% * 98.6137% (1.00 10.0 10.00 6.00 144.19) = 98.614% kept QG2 THR 39 - HB2 LYS+ 99 16.667% * 1.0675% (0.38 1.0 1.00 0.58 0.02) = 1.068% kept HG2 LYS+ 74 - HB2 LYS+ 99 16.667% * 0.0981% (1.00 1.0 1.00 0.02 0.02) = 0.098% HG LEU 71 - HB2 LYS+ 99 16.667% * 0.0967% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG13 ILE 19 - HB2 LYS+ 99 16.667% * 0.0870% (0.88 1.0 1.00 0.02 0.02) = 0.087% QB ALA 91 - HB2 LYS+ 99 16.667% * 0.0370% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1167 (1.70, 1.77, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.52, residual support = 143.7: * O QD LYS+ 99 - HB2 LYS+ 99 16.667% * 99.6907% (1.00 10.0 4.54 144.19) = 99.691% kept QD LYS+ 106 - HB2 LYS+ 99 16.667% * 0.0992% (1.00 1.0 0.02 0.02) = 0.099% HB2 LEU 73 - HB2 LYS+ 99 16.667% * 0.0833% (0.84 1.0 0.02 0.02) = 0.083% HB3 MET 92 - HB2 LYS+ 99 16.667% * 0.0605% (0.61 1.0 0.02 0.02) = 0.060% HD2 LYS+ 111 - HB2 LYS+ 99 16.667% * 0.0428% (0.43 1.0 0.02 0.02) = 0.043% QG1 ILE 56 - HB2 LYS+ 99 16.667% * 0.0235% (0.24 1.0 0.02 0.02) = 0.024% Peak 1168 (1.33, 1.77, 37.34 ppm): 8 chemical-shift based assignments, quality = 0.987, support = 6.04, residual support = 138.3: * O HG2 LYS+ 99 - HB2 LYS+ 99 12.500% * 95.9124% (1.00 10.0 6.28 144.19) = 95.912% kept HG2 LYS+ 38 - HB2 LYS+ 99 12.500% * 2.0179% (0.96 1.0 0.44 0.60) = 2.018% kept QB ALA 88 - HB2 LYS+ 99 12.500% * 1.8471% (0.49 1.0 0.79 0.02) = 1.847% kept HG2 LYS+ 111 - HB2 LYS+ 99 12.500% * 0.0751% (0.78 1.0 0.02 0.02) = 0.075% HB2 LEU 31 - HB2 LYS+ 99 12.500% * 0.0640% (0.67 1.0 0.02 0.02) = 0.064% HB3 LEU 80 - HB2 LYS+ 99 12.500% * 0.0412% (0.43 1.0 0.02 0.40) = 0.041% HB2 LEU 63 - HB2 LYS+ 99 12.500% * 0.0267% (0.28 1.0 0.02 0.02) = 0.027% HB3 ASP- 44 - HB2 LYS+ 99 12.500% * 0.0158% (0.16 1.0 0.02 0.02) = 0.016% Peak 1169 (3.01, 1.77, 37.34 ppm): 4 chemical-shift based assignments, quality = 0.957, support = 5.0, residual support = 128.6: * QE LYS+ 99 - HB2 LYS+ 99 25.000% * 89.1559% (1.00 5.54 144.19) = 89.156% kept QE LYS+ 38 - HB2 LYS+ 99 25.000% * 5.3989% (0.78 0.43 0.60) = 5.399% kept QE LYS+ 102 - HB2 LYS+ 99 25.000% * 5.3922% (0.43 0.78 0.02) = 5.392% kept HB3 TRP 27 - HB2 LYS+ 99 25.000% * 0.0530% (0.16 0.02 0.02) = 0.053% Peak 1170 (4.38, 1.24, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.991, support = 6.26, residual support = 140.8: * O T HA LYS+ 99 - HG3 LYS+ 99 20.000% * 97.6540% (1.00 10.0 10.00 6.40 144.19) = 97.654% kept HA ASP- 113 - HG3 LYS+ 99 20.000% * 2.0988% (0.67 1.0 1.00 0.64 0.02) = 2.099% kept HA ASN 35 - HG3 LYS+ 99 20.000% * 0.0901% (0.92 1.0 1.00 0.02 2.09) = 0.090% HA ILE 56 - HG3 LYS+ 99 20.000% * 0.0862% (0.88 1.0 1.00 0.02 0.02) = 0.086% HA LEU 123 - HG3 LYS+ 99 20.000% * 0.0709% (0.73 1.0 1.00 0.02 0.02) = 0.071% Peak 1172 (1.24, 1.24, 26.01 ppm): 1 diagonal assignment: * HG3 LYS+ 99 - HG3 LYS+ 99 (1.00) kept Peak 1175 (3.01, 1.24, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.925, support = 4.13, residual support = 113.4: * O T QE LYS+ 99 - HG3 LYS+ 99 25.000% * 78.5883% (1.00 10.0 10.00 5.13 144.19) = 78.588% kept T QE LYS+ 38 - HG3 LYS+ 99 25.000% * 13.3543% (0.78 1.0 10.00 0.43 0.60) = 13.354% kept T QE LYS+ 102 - HG3 LYS+ 99 25.000% * 8.0445% (0.43 1.0 10.00 0.48 0.02) = 8.044% kept HB3 TRP 27 - HG3 LYS+ 99 25.000% * 0.0129% (0.16 1.0 1.00 0.02 0.02) = 0.013% Peak 1176 (4.38, 1.70, 30.22 ppm): 10 chemical-shift based assignments, quality = 0.962, support = 5.51, residual support = 136.8: * T HA LYS+ 99 - QD LYS+ 99 10.000% * 94.8597% (1.00 10.00 5.80 144.19) = 94.860% kept HA ASP- 113 - QD LYS+ 99 10.000% * 2.0388% (0.67 1.00 0.64 0.02) = 2.039% kept T HA ILE 56 - QD LYS+ 99 10.000% * 0.8371% (0.88 10.00 0.02 0.02) = 0.837% T HA LYS+ 99 - QD LYS+ 106 10.000% * 0.7616% (0.80 10.00 0.02 0.02) = 0.762% T HA ILE 56 - QD LYS+ 106 10.000% * 0.6721% (0.71 10.00 0.02 0.02) = 0.672% T HA LEU 123 - QD LYS+ 106 10.000% * 0.5531% (0.58 10.00 0.02 0.02) = 0.553% HA ASN 35 - QD LYS+ 99 10.000% * 0.0876% (0.92 1.00 0.02 2.09) = 0.088% HA ASN 35 - QD LYS+ 106 10.000% * 0.0703% (0.74 1.00 0.02 0.02) = 0.070% HA LEU 123 - QD LYS+ 99 10.000% * 0.0689% (0.73 1.00 0.02 0.02) = 0.069% HA ASP- 113 - QD LYS+ 106 10.000% * 0.0508% (0.54 1.00 0.02 0.02) = 0.051% Peak 1179 (1.33, 1.70, 30.22 ppm): 16 chemical-shift based assignments, quality = 0.972, support = 5.36, residual support = 140.2: * O HG2 LYS+ 99 - QD LYS+ 99 6.250% * 97.2236% (1.00 10.0 1.00 5.51 144.19) = 97.224% kept HG2 LYS+ 38 - QD LYS+ 99 6.250% * 0.8966% (0.96 1.0 1.00 0.19 0.60) = 0.897% T HG2 LYS+ 111 - QD LYS+ 99 6.250% * 0.7610% (0.78 1.0 10.00 0.02 0.02) = 0.761% T HG2 LYS+ 111 - QD LYS+ 106 6.250% * 0.6110% (0.63 1.0 10.00 0.02 0.02) = 0.611% HG2 LYS+ 99 - QD LYS+ 106 6.250% * 0.0781% (0.80 1.0 1.00 0.02 0.02) = 0.078% HG2 LYS+ 38 - QD LYS+ 106 6.250% * 0.0746% (0.77 1.0 1.00 0.02 0.02) = 0.075% HB2 LEU 31 - QD LYS+ 99 6.250% * 0.0648% (0.67 1.0 1.00 0.02 0.02) = 0.065% HB2 LEU 31 - QD LYS+ 106 6.250% * 0.0521% (0.54 1.0 1.00 0.02 0.02) = 0.052% QB ALA 88 - QD LYS+ 99 6.250% * 0.0473% (0.49 1.0 1.00 0.02 0.02) = 0.047% HB3 LEU 80 - QD LYS+ 99 6.250% * 0.0418% (0.43 1.0 1.00 0.02 0.40) = 0.042% QB ALA 88 - QD LYS+ 106 6.250% * 0.0380% (0.39 1.0 1.00 0.02 0.02) = 0.038% HB3 LEU 80 - QD LYS+ 106 6.250% * 0.0335% (0.34 1.0 1.00 0.02 0.02) = 0.034% HB2 LEU 63 - QD LYS+ 99 6.250% * 0.0270% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB2 LEU 63 - QD LYS+ 106 6.250% * 0.0217% (0.22 1.0 1.00 0.02 0.02) = 0.022% HB3 ASP- 44 - QD LYS+ 99 6.250% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 ASP- 44 - QD LYS+ 106 6.250% * 0.0128% (0.13 1.0 1.00 0.02 0.46) = 0.013% Peak 1180 (1.24, 1.70, 30.22 ppm): 12 chemical-shift based assignments, quality = 0.993, support = 5.15, residual support = 143.1: * O HG3 LYS+ 99 - QD LYS+ 99 8.333% * 99.2745% (1.00 10.0 5.19 144.19) = 99.274% kept HG2 LYS+ 74 - QD LYS+ 99 8.333% * 0.0988% (1.00 1.0 0.02 0.02) = 0.099% HG LEU 71 - QD LYS+ 99 8.333% * 0.0973% (0.98 1.0 0.02 0.02) = 0.097% HG13 ILE 19 - QD LYS+ 99 8.333% * 0.0876% (0.88 1.0 0.02 0.02) = 0.088% HG3 LYS+ 99 - QD LYS+ 106 8.333% * 0.0797% (0.80 1.0 0.02 0.02) = 0.080% HG2 LYS+ 74 - QD LYS+ 106 8.333% * 0.0793% (0.80 1.0 0.02 0.02) = 0.079% HG LEU 71 - QD LYS+ 106 8.333% * 0.0781% (0.79 1.0 0.02 0.02) = 0.078% HG13 ILE 19 - QD LYS+ 106 8.333% * 0.0703% (0.71 1.0 0.02 0.02) = 0.070% QG2 THR 39 - QD LYS+ 99 8.333% * 0.0373% (0.38 1.0 0.02 0.02) = 0.037% QB ALA 91 - QD LYS+ 99 8.333% * 0.0373% (0.38 1.0 0.02 0.02) = 0.037% QG2 THR 39 - QD LYS+ 106 8.333% * 0.0299% (0.30 1.0 0.02 0.02) = 0.030% QB ALA 91 - QD LYS+ 106 8.333% * 0.0299% (0.30 1.0 0.02 0.02) = 0.030% Peak 1181 (3.01, 1.70, 30.22 ppm): 8 chemical-shift based assignments, quality = 0.979, support = 4.65, residual support = 139.4: * O QE LYS+ 99 - QD LYS+ 99 12.500% * 96.6474% (1.00 10.0 4.81 144.19) = 96.647% kept QE LYS+ 38 - QD LYS+ 99 12.500% * 1.5566% (0.78 1.0 0.41 0.60) = 1.557% kept QE LYS+ 102 - QD LYS+ 99 12.500% * 0.9377% (0.43 1.0 0.45 0.02) = 0.938% QE LYS+ 99 - QD LYS+ 106 12.500% * 0.7356% (0.80 1.0 0.19 0.02) = 0.736% QE LYS+ 38 - QD LYS+ 106 12.500% * 0.0607% (0.63 1.0 0.02 0.02) = 0.061% QE LYS+ 102 - QD LYS+ 106 12.500% * 0.0333% (0.34 1.0 0.02 0.02) = 0.033% HB3 TRP 27 - QD LYS+ 99 12.500% * 0.0159% (0.16 1.0 0.02 0.02) = 0.016% HB3 TRP 27 - QD LYS+ 106 12.500% * 0.0128% (0.13 1.0 0.02 0.02) = 0.013% Peak 1188 (4.38, 3.01, 42.52 ppm): 15 chemical-shift based assignments, quality = 0.963, support = 5.4, residual support = 134.6: * T HA LYS+ 99 - QE LYS+ 99 6.667% * 93.3499% (1.00 10.00 5.77 144.19) = 93.350% kept T HA LYS+ 99 - QE LYS+ 102 6.667% * 4.1717% (0.43 10.00 0.21 0.02) = 4.172% kept HA ASP- 113 - QE LYS+ 99 6.667% * 1.8246% (0.67 1.00 0.59 0.02) = 1.825% kept T HA LYS+ 99 - QE LYS+ 38 6.667% * 0.2198% (0.24 10.00 0.02 0.60) = 0.220% HA ASN 35 - QE LYS+ 99 6.667% * 0.0862% (0.92 1.00 0.02 2.09) = 0.086% HA ILE 56 - QE LYS+ 99 6.667% * 0.0824% (0.88 1.00 0.02 0.02) = 0.082% HA LEU 123 - QE LYS+ 99 6.667% * 0.0678% (0.73 1.00 0.02 0.02) = 0.068% HA ASN 35 - QE LYS+ 102 6.667% * 0.0368% (0.39 1.00 0.02 0.48) = 0.037% HA ILE 56 - QE LYS+ 102 6.667% * 0.0351% (0.38 1.00 0.02 0.02) = 0.035% HA LEU 123 - QE LYS+ 102 6.667% * 0.0289% (0.31 1.00 0.02 0.02) = 0.029% HA ASP- 113 - QE LYS+ 102 6.667% * 0.0266% (0.28 1.00 0.02 0.02) = 0.027% HA ASN 35 - QE LYS+ 38 6.667% * 0.0203% (0.22 1.00 0.02 0.02) = 0.020% HA ILE 56 - QE LYS+ 38 6.667% * 0.0194% (0.21 1.00 0.02 0.02) = 0.019% HA LEU 123 - QE LYS+ 38 6.667% * 0.0160% (0.17 1.00 0.02 0.02) = 0.016% HA ASP- 113 - QE LYS+ 38 6.667% * 0.0147% (0.16 1.00 0.02 0.02) = 0.015% Peak 1189 (1.72, 3.01, 42.52 ppm): 9 chemical-shift based assignments, quality = 0.953, support = 4.51, residual support = 134.1: HB3 LYS+ 99 - QE LYS+ 99 11.111% * 92.9905% (1.00 4.82 144.19) = 92.991% kept HB3 LYS+ 99 - QE LYS+ 102 11.111% * 4.6218% (0.43 0.56 0.02) = 4.622% kept HB3 LYS+ 99 - QE LYS+ 38 11.111% * 1.4247% (0.24 0.31 0.60) = 1.425% kept QG1 ILE 56 - QE LYS+ 99 11.111% * 0.3688% (0.96 0.02 0.02) = 0.369% HB ILE 89 - QE LYS+ 99 11.111% * 0.2107% (0.55 0.02 0.12) = 0.211% QG1 ILE 56 - QE LYS+ 102 11.111% * 0.1573% (0.41 0.02 0.02) = 0.157% HB ILE 89 - QE LYS+ 102 11.111% * 0.0898% (0.23 0.02 0.02) = 0.090% QG1 ILE 56 - QE LYS+ 38 11.111% * 0.0868% (0.23 0.02 0.02) = 0.087% HB ILE 89 - QE LYS+ 38 11.111% * 0.0496% (0.13 0.02 0.02) = 0.050% Peak 1190 (1.24, 3.01, 42.52 ppm): 18 chemical-shift based assignments, quality = 0.903, support = 4.44, residual support = 122.6: * O T HG3 LYS+ 99 - QE LYS+ 99 5.556% * 85.0423% (1.00 10.0 10.00 5.13 144.19) = 85.042% kept T HG3 LYS+ 99 - QE LYS+ 102 5.556% * 8.6427% (0.43 1.0 10.00 0.48 0.02) = 8.643% kept T HG3 LYS+ 99 - QE LYS+ 38 5.556% * 4.3471% (0.24 1.0 10.00 0.43 0.60) = 4.347% kept QG2 THR 39 - QE LYS+ 99 5.556% * 1.4898% (0.38 1.0 1.00 0.93 0.02) = 1.490% kept HG2 LYS+ 74 - QE LYS+ 99 5.556% * 0.0846% (1.00 1.0 1.00 0.02 0.02) = 0.085% HG LEU 71 - QE LYS+ 99 5.556% * 0.0834% (0.98 1.0 1.00 0.02 0.02) = 0.083% HG13 ILE 19 - QE LYS+ 99 5.556% * 0.0750% (0.88 1.0 1.00 0.02 0.02) = 0.075% HG2 LYS+ 74 - QE LYS+ 102 5.556% * 0.0361% (0.42 1.0 1.00 0.02 0.02) = 0.036% HG LEU 71 - QE LYS+ 102 5.556% * 0.0356% (0.42 1.0 1.00 0.02 0.02) = 0.036% HG13 ILE 19 - QE LYS+ 102 5.556% * 0.0320% (0.38 1.0 1.00 0.02 3.68) = 0.032% QB ALA 91 - QE LYS+ 99 5.556% * 0.0319% (0.38 1.0 1.00 0.02 0.02) = 0.032% HG2 LYS+ 74 - QE LYS+ 38 5.556% * 0.0199% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG LEU 71 - QE LYS+ 38 5.556% * 0.0196% (0.23 1.0 1.00 0.02 0.02) = 0.020% HG13 ILE 19 - QE LYS+ 38 5.556% * 0.0177% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB ALA 91 - QE LYS+ 102 5.556% * 0.0136% (0.16 1.0 1.00 0.02 0.02) = 0.014% QG2 THR 39 - QE LYS+ 102 5.556% * 0.0136% (0.16 1.0 1.00 0.02 0.02) = 0.014% QB ALA 91 - QE LYS+ 38 5.556% * 0.0075% (0.09 1.0 1.00 0.02 0.02) = 0.008% QG2 THR 39 - QE LYS+ 38 5.556% * 0.0075% (0.09 1.0 1.00 0.02 28.42) = 0.008% Peak 1193 (3.01, 3.01, 42.52 ppm): 3 diagonal assignments: * QE LYS+ 99 - QE LYS+ 99 (1.00) kept QE LYS+ 38 - QE LYS+ 38 (0.18) kept QE LYS+ 102 - QE LYS+ 102 (0.18) 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): 5 chemical-shift based assignments, quality = 0.996, support = 4.25, residual support = 71.4: * O T HB2 GLU- 100 - HA GLU- 100 20.000% * 99.6352% (1.00 10.0 10.00 4.26 71.64) = 99.635% kept T HB2 PRO 58 - HA GLU- 100 20.000% * 0.1639% (0.16 1.0 10.00 0.02 0.02) = 0.164% HB2 GLN 116 - HA GLU- 100 20.000% * 0.0953% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB3 PHE 97 - HA GLU- 100 20.000% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% QG GLU- 79 - HA GLU- 100 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1196 (2.04, 3.81, 57.72 ppm): 8 chemical-shift based assignments, quality = 0.995, support = 4.24, residual support = 71.3: * O T HB3 GLU- 100 - HA GLU- 100 12.500% * 99.5417% (1.00 10.0 10.00 4.26 71.64) = 99.542% kept HB ILE 119 - HA GLU- 100 12.500% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HA GLU- 100 12.500% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 30 - HA GLU- 100 12.500% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB VAL 108 - HA GLU- 100 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 ARG+ 54 - HA GLU- 100 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 68 - HA GLU- 100 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 PRO 93 - HA GLU- 100 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1197 (2.23, 3.81, 57.72 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 4.57, residual support = 71.5: * O T HG2 GLU- 100 - HA GLU- 100 20.000% * 99.7615% (1.00 10.0 10.00 4.58 71.64) = 99.761% kept HB3 ASP- 76 - HA GLU- 100 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HA GLU- 100 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 MET 96 - HA GLU- 100 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG3 MET 92 - HA GLU- 100 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1198 (3.81, 2.37, 29.04 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 3.5, residual support = 57.0: * O T HA GLU- 100 - HB2 GLU- 100 33.333% * 79.5836% (1.00 10.0 10.00 4.26 71.64) = 79.584% kept T HD2 PRO 58 - HB2 GLU- 100 33.333% * 20.3372% (0.96 1.0 10.00 0.53 0.02) = 20.337% kept HA VAL 83 - HB2 GLU- 100 33.333% * 0.0792% (1.00 1.0 1.00 0.02 0.02) = 0.079% 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): 8 chemical-shift based assignments, quality = 0.995, support = 1.99, residual support = 71.3: * O T HB3 GLU- 100 - HB2 GLU- 100 12.500% * 99.5417% (1.00 10.0 10.00 2.00 71.64) = 99.542% kept HB ILE 119 - HB2 GLU- 100 12.500% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HB2 GLU- 100 12.500% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HG3 GLN 30 - HB2 GLU- 100 12.500% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB VAL 108 - HB2 GLU- 100 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 ARG+ 54 - HB2 GLU- 100 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 68 - HB2 GLU- 100 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 PRO 93 - HB2 GLU- 100 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1201 (2.23, 2.37, 29.04 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.11, residual support = 71.5: * O T HG2 GLU- 100 - HB2 GLU- 100 20.000% * 99.7615% (1.00 10.0 10.00 3.12 71.64) = 99.761% kept HB3 ASP- 76 - HB2 GLU- 100 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HB2 GLU- 100 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 MET 96 - HB2 GLU- 100 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG3 MET 92 - HB2 GLU- 100 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1202 (3.81, 2.04, 29.04 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 4.25, residual support = 71.5: * O T HA GLU- 100 - HB3 GLU- 100 33.333% * 99.8053% (1.00 10.0 10.00 4.26 71.64) = 99.805% kept HA VAL 83 - HB3 GLU- 100 33.333% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - HB3 GLU- 100 33.333% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% Peak 1203 (2.37, 2.04, 29.04 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 71.5: * O T HB2 GLU- 100 - HB3 GLU- 100 20.000% * 99.7824% (1.00 10.0 10.00 2.00 71.64) = 99.782% kept HB2 GLN 116 - HB3 GLU- 100 20.000% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB3 PHE 97 - HB3 GLU- 100 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% QG GLU- 79 - HB3 GLU- 100 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 PRO 58 - HB3 GLU- 100 20.000% * 0.0164% (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): 5 chemical-shift based assignments, quality = 0.998, support = 3.11, residual support = 71.5: * O T HG2 GLU- 100 - HB3 GLU- 100 20.000% * 99.7615% (1.00 10.0 10.00 3.12 71.64) = 99.761% kept HB3 ASP- 76 - HB3 GLU- 100 20.000% * 0.0978% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 ASP- 105 - HB3 GLU- 100 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 MET 96 - HB3 GLU- 100 20.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% HG3 MET 92 - HB3 GLU- 100 20.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1206 (3.81, 2.23, 38.95 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 4.57, residual support = 71.5: * O T HA GLU- 100 - HG2 GLU- 100 33.333% * 99.8053% (1.00 10.0 10.00 4.58 71.64) = 99.805% kept HA VAL 83 - HG2 GLU- 100 33.333% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% HD2 PRO 58 - HG2 GLU- 100 33.333% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% Peak 1207 (2.37, 2.23, 38.95 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.11, residual support = 71.5: * O T HB2 GLU- 100 - HG2 GLU- 100 20.000% * 99.7824% (1.00 10.0 10.00 3.12 71.64) = 99.782% kept HB2 GLN 116 - HG2 GLU- 100 20.000% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB3 PHE 97 - HG2 GLU- 100 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% QG GLU- 79 - HG2 GLU- 100 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 PRO 58 - HG2 GLU- 100 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1208 (2.04, 2.23, 38.95 ppm): 8 chemical-shift based assignments, quality = 0.993, support = 3.1, residual support = 71.1: * O T HB3 GLU- 100 - HG2 GLU- 100 12.500% * 99.2944% (1.00 10.0 10.00 3.12 71.64) = 99.294% kept T HB3 PRO 68 - HG2 GLU- 100 12.500% * 0.2761% (0.28 1.0 10.00 0.02 0.02) = 0.276% HB ILE 119 - HG2 GLU- 100 12.500% * 0.0973% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 30 - HG2 GLU- 100 12.500% * 0.0973% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG3 GLN 30 - HG2 GLU- 100 12.500% * 0.0829% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB VAL 108 - HG2 GLU- 100 12.500% * 0.0721% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 ARG+ 54 - HG2 GLU- 100 12.500% * 0.0602% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 PRO 93 - HG2 GLU- 100 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 1 chemical-shift based assignment, quality = 1.0, support = 1.5, residual support = 8.56: * O T HA2 GLY 101 - HA1 GLY 101 100.000% *100.0000% (1.00 10.0 10.00 1.50 8.56) = 100.000% kept Peak 1212 (4.14, 3.52, 45.70 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 1.49, residual support = 8.53: * O T HA1 GLY 101 - HA2 GLY 101 16.667% * 99.6504% (1.00 10.0 10.00 1.50 8.56) = 99.650% kept HA GLU- 114 - HA2 GLY 101 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HA ALA 34 - HA2 GLY 101 16.667% * 0.0879% (0.88 1.0 1.00 0.02 0.02) = 0.088% HA LEU 115 - HA2 GLY 101 16.667% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.066% HA ASN 28 - HA2 GLY 101 16.667% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA THR 26 - HA2 GLY 101 16.667% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% 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): 7 chemical-shift based assignments, quality = 0.995, support = 5.95, residual support = 128.1: * O T QB LYS+ 102 - HA LYS+ 102 14.286% * 99.4707% (1.00 10.0 10.00 5.98 128.82) = 99.471% kept T HB VAL 41 - HA LYS+ 102 14.286% * 0.1969% (0.20 1.0 10.00 0.02 0.02) = 0.197% QB LYS+ 65 - HA LYS+ 102 14.286% * 0.0951% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 LEU 71 - HA LYS+ 102 14.286% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 93 - HA LYS+ 102 14.286% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 66 - HA LYS+ 102 14.286% * 0.0427% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 GLN 17 - HA LYS+ 102 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1216 (1.45, 4.60, 54.68 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 128.3: * O T HG2 LYS+ 102 - HA LYS+ 102 12.500% * 99.6026% (1.00 10.0 10.00 5.41 128.82) = 99.603% kept HG LEU 73 - HA LYS+ 102 12.500% * 0.0952% (0.96 1.0 1.00 0.02 0.02) = 0.095% QG LYS+ 66 - HA LYS+ 102 12.500% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HG LEU 40 - HA LYS+ 102 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 LEU 115 - HA LYS+ 102 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 LEU 67 - HA LYS+ 102 12.500% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HG LEU 67 - HA LYS+ 102 12.500% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% QB ALA 61 - HA LYS+ 102 12.500% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1217 (1.38, 4.60, 54.68 ppm): 9 chemical-shift based assignments, quality = 0.97, support = 4.3, residual support = 125.0: * O T HG3 LYS+ 102 - HA LYS+ 102 11.111% * 97.0308% (1.00 10.0 10.00 4.43 128.82) = 97.031% kept T HG3 LYS+ 65 - HA LYS+ 102 11.111% * 0.9276% (0.96 1.0 10.00 0.02 0.02) = 0.928% T HG3 LYS+ 106 - HA LYS+ 102 11.111% * 0.8563% (0.88 1.0 10.00 0.02 0.02) = 0.856% T HG3 LYS+ 33 - HA LYS+ 102 11.111% * 0.8563% (0.88 1.0 10.00 0.02 0.02) = 0.856% HB3 LEU 73 - HA LYS+ 102 11.111% * 0.0965% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 LYS+ 112 - HA LYS+ 102 11.111% * 0.0951% (0.98 1.0 1.00 0.02 0.02) = 0.095% HB VAL 42 - HA LYS+ 102 11.111% * 0.0928% (0.96 1.0 1.00 0.02 0.02) = 0.093% QB ALA 12 - HA LYS+ 102 11.111% * 0.0315% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 PRO 93 - HA LYS+ 102 11.111% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1218 (1.68, 4.60, 54.68 ppm): 9 chemical-shift based assignments, quality = 0.981, support = 4.34, residual support = 126.3: * T QD LYS+ 102 - HA LYS+ 102 11.111% * 98.0555% (1.00 10.00 4.43 128.82) = 98.055% kept QD LYS+ 38 - HA LYS+ 102 11.111% * 0.9951% (0.61 1.00 0.33 0.66) = 0.995% T HD2 LYS+ 111 - HA LYS+ 102 11.111% * 0.4212% (0.43 10.00 0.02 0.02) = 0.421% T QD LYS+ 65 - HA LYS+ 102 11.111% * 0.2726% (0.28 10.00 0.02 0.02) = 0.273% HG3 PRO 93 - HA LYS+ 102 11.111% * 0.0865% (0.88 1.00 0.02 0.02) = 0.087% HB2 LEU 123 - HA LYS+ 102 11.111% * 0.0819% (0.84 1.00 0.02 0.02) = 0.082% HB VAL 83 - HA LYS+ 102 11.111% * 0.0368% (0.38 1.00 0.02 0.02) = 0.037% HB3 MET 92 - HA LYS+ 102 11.111% * 0.0273% (0.28 1.00 0.02 0.02) = 0.027% HB2 LYS+ 121 - HA LYS+ 102 11.111% * 0.0231% (0.24 1.00 0.02 0.02) = 0.023% Peak 1219 (3.02, 4.60, 54.68 ppm): 3 chemical-shift based assignments, quality = 0.934, support = 3.54, residual support = 100.1: * T QE LYS+ 102 - HA LYS+ 102 33.333% * 77.6667% (1.00 10.00 4.43 128.82) = 77.667% kept T QE LYS+ 38 - HA LYS+ 102 33.333% * 15.0191% (0.84 10.00 0.46 0.66) = 15.019% kept T QE LYS+ 99 - HA LYS+ 102 33.333% * 7.3141% (0.43 10.00 0.44 0.02) = 7.314% kept Peak 1220 (4.60, 1.81, 34.65 ppm): 10 chemical-shift based assignments, quality = 0.997, support = 5.96, residual support = 128.4: * O T HA LYS+ 102 - QB LYS+ 102 10.000% * 99.6524% (1.00 10.0 10.00 5.98 128.82) = 99.652% kept T HA LYS+ 102 - HB VAL 41 10.000% * 0.1820% (0.18 1.0 10.00 0.02 0.02) = 0.182% HA CYS 21 - QB LYS+ 102 10.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.066% HA TRP 49 - QB LYS+ 102 10.000% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA1 GLY 109 - QB LYS+ 102 10.000% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA CYS 50 - QB LYS+ 102 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA CYS 21 - HB VAL 41 10.000% * 0.0121% (0.12 1.0 1.00 0.02 0.90) = 0.012% HA TRP 49 - HB VAL 41 10.000% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HA1 GLY 109 - HB VAL 41 10.000% * 0.0036% (0.04 1.0 1.00 0.02 0.02) = 0.004% HA CYS 50 - HB VAL 41 10.000% * 0.0030% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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 (0.04) kept Peak 1222 (1.45, 1.81, 34.65 ppm): 16 chemical-shift based assignments, quality = 0.976, support = 5.18, residual support = 125.6: * O T HG2 LYS+ 102 - QB LYS+ 102 6.250% * 97.4425% (1.00 10.0 10.00 5.29 128.82) = 97.443% kept HG LEU 40 - HB VAL 41 6.250% * 1.1773% (0.11 1.0 1.00 2.18 8.23) = 1.177% kept T QG LYS+ 66 - QB LYS+ 102 6.250% * 0.7076% (0.73 1.0 10.00 0.02 0.02) = 0.708% T HG2 LYS+ 102 - HB VAL 41 6.250% * 0.1780% (0.18 1.0 10.00 0.02 0.02) = 0.178% T QG LYS+ 66 - HB VAL 41 6.250% * 0.1293% (0.13 1.0 10.00 0.02 0.54) = 0.129% HG LEU 73 - QB LYS+ 102 6.250% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% HG LEU 40 - QB LYS+ 102 6.250% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 115 - QB LYS+ 102 6.250% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 67 - QB LYS+ 102 6.250% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG LEU 67 - QB LYS+ 102 6.250% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% QB ALA 61 - QB LYS+ 102 6.250% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG LEU 73 - HB VAL 41 6.250% * 0.0170% (0.17 1.0 1.00 0.02 0.02) = 0.017% HB3 LEU 115 - HB VAL 41 6.250% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 67 - HB VAL 41 6.250% * 0.0076% (0.08 1.0 1.00 0.02 0.11) = 0.008% HG LEU 67 - HB VAL 41 6.250% * 0.0076% (0.08 1.0 1.00 0.02 0.11) = 0.008% QB ALA 61 - HB VAL 41 6.250% * 0.0042% (0.04 1.0 1.00 0.02 1.59) = 0.004% Peak 1223 (1.38, 1.81, 34.65 ppm): 18 chemical-shift based assignments, quality = 0.83, support = 4.32, residual support = 105.9: * O T HG3 LYS+ 102 - QB LYS+ 102 5.556% * 80.3251% (1.00 10.0 10.00 4.72 128.82) = 80.325% kept T HB VAL 42 - HB VAL 41 5.556% * 14.0284% (0.17 1.0 10.00 3.78 17.65) = 14.028% kept T HG3 LYS+ 65 - HB VAL 41 5.556% * 1.2178% (0.17 1.0 10.00 0.17 0.02) = 1.218% kept T HB2 LYS+ 112 - QB LYS+ 102 5.556% * 0.7873% (0.98 1.0 10.00 0.02 0.02) = 0.787% T HG3 LYS+ 65 - QB LYS+ 102 5.556% * 0.7679% (0.96 1.0 10.00 0.02 0.02) = 0.768% T HB VAL 42 - QB LYS+ 102 5.556% * 0.7679% (0.96 1.0 10.00 0.02 0.02) = 0.768% T HG3 LYS+ 106 - QB LYS+ 102 5.556% * 0.7089% (0.88 1.0 10.00 0.02 0.02) = 0.709% T HG3 LYS+ 33 - QB LYS+ 102 5.556% * 0.7089% (0.88 1.0 10.00 0.02 0.02) = 0.709% T HG3 LYS+ 102 - HB VAL 41 5.556% * 0.1467% (0.18 1.0 10.00 0.02 0.02) = 0.147% T HB2 LYS+ 112 - HB VAL 41 5.556% * 0.1438% (0.18 1.0 10.00 0.02 0.02) = 0.144% T HG3 LYS+ 106 - HB VAL 41 5.556% * 0.1295% (0.16 1.0 10.00 0.02 0.32) = 0.129% T HG3 LYS+ 33 - HB VAL 41 5.556% * 0.1295% (0.16 1.0 10.00 0.02 0.02) = 0.129% HB3 LEU 73 - QB LYS+ 102 5.556% * 0.0799% (1.00 1.0 1.00 0.02 0.02) = 0.080% QB ALA 12 - QB LYS+ 102 5.556% * 0.0261% (0.32 1.0 1.00 0.02 0.02) = 0.026% HB3 LEU 73 - HB VAL 41 5.556% * 0.0146% (0.18 1.0 1.00 0.02 0.02) = 0.015% HB3 PRO 93 - QB LYS+ 102 5.556% * 0.0109% (0.14 1.0 1.00 0.02 0.02) = 0.011% QB ALA 12 - HB VAL 41 5.556% * 0.0048% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 PRO 93 - HB VAL 41 5.556% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1224 (1.68, 1.81, 34.65 ppm): 18 chemical-shift based assignments, quality = 0.944, support = 4.23, residual support = 114.6: * O T QD LYS+ 102 - QB LYS+ 102 5.556% * 88.8945% (1.00 10.0 10.00 4.72 128.82) = 88.895% kept T QD LYS+ 38 - QB LYS+ 102 5.556% * 9.0802% (0.61 1.0 10.00 0.34 0.66) = 9.080% kept T HG3 PRO 93 - QB LYS+ 102 5.556% * 0.7845% (0.88 1.0 10.00 0.02 0.02) = 0.784% T HD2 LYS+ 111 - QB LYS+ 102 5.556% * 0.3819% (0.43 1.0 10.00 0.02 0.02) = 0.382% T QD LYS+ 65 - QB LYS+ 102 5.556% * 0.2472% (0.28 1.0 10.00 0.02 0.02) = 0.247% T QD LYS+ 102 - HB VAL 41 5.556% * 0.1624% (0.18 1.0 10.00 0.02 0.02) = 0.162% T HG3 PRO 93 - HB VAL 41 5.556% * 0.1433% (0.16 1.0 10.00 0.02 0.02) = 0.143% HB2 LEU 123 - QB LYS+ 102 5.556% * 0.0743% (0.84 1.0 1.00 0.02 0.02) = 0.074% T HD2 LYS+ 111 - HB VAL 41 5.556% * 0.0698% (0.08 1.0 10.00 0.02 0.02) = 0.070% T QD LYS+ 65 - HB VAL 41 5.556% * 0.0452% (0.05 1.0 10.00 0.02 0.02) = 0.045% HB VAL 83 - QB LYS+ 102 5.556% * 0.0334% (0.38 1.0 1.00 0.02 0.02) = 0.033% HB3 MET 92 - QB LYS+ 102 5.556% * 0.0247% (0.28 1.0 1.00 0.02 0.02) = 0.025% HB2 LYS+ 121 - QB LYS+ 102 5.556% * 0.0210% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB2 LEU 123 - HB VAL 41 5.556% * 0.0136% (0.15 1.0 1.00 0.02 0.54) = 0.014% QD LYS+ 38 - HB VAL 41 5.556% * 0.0098% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB VAL 83 - HB VAL 41 5.556% * 0.0061% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 MET 92 - HB VAL 41 5.556% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB2 LYS+ 121 - HB VAL 41 5.556% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% Peak 1225 (3.02, 1.81, 34.65 ppm): 6 chemical-shift based assignments, quality = 0.911, support = 3.65, residual support = 96.0: * T QE LYS+ 102 - QB LYS+ 102 16.667% * 74.4722% (1.00 10.00 4.72 128.82) = 74.472% kept T QE LYS+ 38 - QB LYS+ 102 16.667% * 14.3073% (0.84 10.00 0.46 0.66) = 14.307% kept T QE LYS+ 99 - QB LYS+ 102 16.667% * 10.9124% (0.43 10.00 0.68 0.02) = 10.912% kept T QE LYS+ 102 - HB VAL 41 16.667% * 0.1360% (0.18 10.00 0.02 0.02) = 0.136% T QE LYS+ 38 - HB VAL 41 16.667% * 0.1136% (0.15 10.00 0.02 0.02) = 0.114% T QE LYS+ 99 - HB VAL 41 16.667% * 0.0584% (0.08 10.00 0.02 0.02) = 0.058% Peak 1226 (4.60, 1.45, 25.01 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 5.41, residual support = 128.6: * O T HA LYS+ 102 - HG2 LYS+ 102 20.000% * 99.8597% (1.00 10.0 10.00 5.41 128.82) = 99.860% kept HA CYS 21 - HG2 LYS+ 102 20.000% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HA TRP 49 - HG2 LYS+ 102 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA1 GLY 109 - HG2 LYS+ 102 20.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HA CYS 50 - HG2 LYS+ 102 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1227 (1.81, 1.45, 25.01 ppm): 7 chemical-shift based assignments, quality = 0.988, support = 5.23, residual support = 127.3: * O T QB LYS+ 102 - HG2 LYS+ 102 14.286% * 98.7864% (1.00 10.0 10.00 5.29 128.82) = 98.786% kept T QB LYS+ 66 - HG2 LYS+ 102 14.286% * 0.4243% (0.43 1.0 10.00 0.02 0.02) = 0.424% HB2 LEU 71 - HG2 LYS+ 102 14.286% * 0.3972% (0.92 1.0 1.00 0.09 0.02) = 0.397% T HB VAL 41 - HG2 LYS+ 102 14.286% * 0.1955% (0.20 1.0 10.00 0.02 0.02) = 0.195% QB LYS+ 65 - HG2 LYS+ 102 14.286% * 0.0944% (0.96 1.0 1.00 0.02 0.02) = 0.094% HG2 PRO 93 - HG2 LYS+ 102 14.286% * 0.0825% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 GLN 17 - HG2 LYS+ 102 14.286% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 9 chemical-shift based assignments, quality = 0.97, support = 4.18, residual support = 125.0: * O T HG3 LYS+ 102 - HG2 LYS+ 102 11.111% * 97.0308% (1.00 10.0 10.00 4.31 128.82) = 97.031% kept T HG3 LYS+ 65 - HG2 LYS+ 102 11.111% * 0.9276% (0.96 1.0 10.00 0.02 0.02) = 0.928% T HG3 LYS+ 106 - HG2 LYS+ 102 11.111% * 0.8563% (0.88 1.0 10.00 0.02 0.02) = 0.856% T HG3 LYS+ 33 - HG2 LYS+ 102 11.111% * 0.8563% (0.88 1.0 10.00 0.02 0.02) = 0.856% HB3 LEU 73 - HG2 LYS+ 102 11.111% * 0.0965% (1.00 1.0 1.00 0.02 0.02) = 0.097% HB2 LYS+ 112 - HG2 LYS+ 102 11.111% * 0.0951% (0.98 1.0 1.00 0.02 0.02) = 0.095% HB VAL 42 - HG2 LYS+ 102 11.111% * 0.0928% (0.96 1.0 1.00 0.02 0.02) = 0.093% QB ALA 12 - HG2 LYS+ 102 11.111% * 0.0315% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB3 PRO 93 - HG2 LYS+ 102 11.111% * 0.0131% (0.14 1.0 1.00 0.02 0.02) = 0.013% Peak 1230 (1.68, 1.45, 25.01 ppm): 9 chemical-shift based assignments, quality = 0.99, support = 4.26, residual support = 127.5: * O T QD LYS+ 102 - HG2 LYS+ 102 11.111% * 98.9815% (1.00 10.0 10.00 4.31 128.82) = 98.982% kept T HD2 LYS+ 111 - HG2 LYS+ 102 11.111% * 0.4252% (0.43 1.0 10.00 0.02 0.02) = 0.425% T QD LYS+ 65 - HG2 LYS+ 102 11.111% * 0.2752% (0.28 1.0 10.00 0.02 0.02) = 0.275% HG3 PRO 93 - HG2 LYS+ 102 11.111% * 0.0874% (0.88 1.0 1.00 0.02 0.02) = 0.087% HB2 LEU 123 - HG2 LYS+ 102 11.111% * 0.0827% (0.84 1.0 1.00 0.02 0.02) = 0.083% QD LYS+ 38 - HG2 LYS+ 102 11.111% * 0.0600% (0.61 1.0 1.00 0.02 0.66) = 0.060% HB VAL 83 - HG2 LYS+ 102 11.111% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB3 MET 92 - HG2 LYS+ 102 11.111% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 LYS+ 121 - HG2 LYS+ 102 11.111% * 0.0233% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1231 (3.02, 1.45, 25.01 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 3.08, residual support = 82.9: * O T QE LYS+ 102 - HG2 LYS+ 102 33.333% * 64.1939% (1.00 10.0 10.00 4.31 128.82) = 64.194% kept T QE LYS+ 38 - HG2 LYS+ 102 33.333% * 24.9485% (0.84 1.0 10.00 0.93 0.66) = 24.948% kept T QE LYS+ 99 - HG2 LYS+ 102 33.333% * 10.8576% (0.43 1.0 10.00 0.79 0.02) = 10.858% kept Peak 1232 (4.60, 1.38, 25.01 ppm): 20 chemical-shift based assignments, quality = 0.983, support = 4.35, residual support = 126.6: * O T HA LYS+ 102 - HG3 LYS+ 102 5.000% * 98.2627% (1.00 10.0 10.00 4.43 128.82) = 98.263% kept T HA LYS+ 102 - HG3 LYS+ 65 5.000% * 0.7799% (0.79 1.0 10.00 0.02 0.02) = 0.780% T HA LYS+ 102 - HG3 LYS+ 33 5.000% * 0.4554% (0.46 1.0 10.00 0.02 0.02) = 0.455% T HA LYS+ 102 - HG3 LYS+ 106 5.000% * 0.1670% (0.17 1.0 10.00 0.02 0.02) = 0.167% HA CYS 21 - HG3 LYS+ 102 5.000% * 0.0655% (0.67 1.0 1.00 0.02 0.02) = 0.066% HA CYS 21 - HG3 LYS+ 65 5.000% * 0.0520% (0.53 1.0 1.00 0.02 0.02) = 0.052% HA TRP 49 - HG3 LYS+ 102 5.000% * 0.0369% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA CYS 21 - HG3 LYS+ 33 5.000% * 0.0304% (0.31 1.0 1.00 0.02 0.02) = 0.030% HA TRP 49 - HG3 LYS+ 65 5.000% * 0.0293% (0.30 1.0 1.00 0.02 0.02) = 0.029% HA1 GLY 109 - HG3 LYS+ 102 5.000% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA TRP 49 - HG3 LYS+ 33 5.000% * 0.0171% (0.17 1.0 1.00 0.02 0.02) = 0.017% HA CYS 50 - HG3 LYS+ 102 5.000% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA1 GLY 109 - HG3 LYS+ 65 5.000% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HA CYS 50 - HG3 LYS+ 65 5.000% * 0.0128% (0.13 1.0 1.00 0.02 0.02) = 0.013% HA CYS 21 - HG3 LYS+ 106 5.000% * 0.0111% (0.11 1.0 1.00 0.02 0.02) = 0.011% HA1 GLY 109 - HG3 LYS+ 33 5.000% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA CYS 50 - HG3 LYS+ 33 5.000% * 0.0075% (0.08 1.0 1.00 0.02 0.02) = 0.007% HA TRP 49 - HG3 LYS+ 106 5.000% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA1 GLY 109 - HG3 LYS+ 106 5.000% * 0.0033% (0.03 1.0 1.00 0.02 0.02) = 0.003% HA CYS 50 - HG3 LYS+ 106 5.000% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1233 (1.81, 1.38, 25.01 ppm): 28 chemical-shift based assignments, quality = 0.865, support = 4.69, residual support = 114.6: * O T QB LYS+ 102 - HG3 LYS+ 102 3.571% * 54.2151% (1.00 10.0 10.00 4.72 128.82) = 54.215% kept O QB LYS+ 65 - HG3 LYS+ 65 3.571% * 41.1370% (0.76 10.0 1.00 4.92 106.91) = 41.137% kept QB LYS+ 66 - HG3 LYS+ 65 3.571% * 3.1200% (0.34 1.0 1.00 3.38 24.95) = 3.120% kept T QB LYS+ 102 - HG3 LYS+ 65 3.571% * 0.4303% (0.79 1.0 10.00 0.02 0.02) = 0.430% T QB LYS+ 102 - HG3 LYS+ 33 3.571% * 0.2512% (0.46 1.0 10.00 0.02 0.02) = 0.251% HB2 LEU 71 - HG3 LYS+ 65 3.571% * 0.1534% (0.73 1.0 1.00 0.08 0.02) = 0.153% T HB VAL 41 - HG3 LYS+ 102 3.571% * 0.1073% (0.20 1.0 10.00 0.02 0.02) = 0.107% T QB LYS+ 102 - HG3 LYS+ 106 3.571% * 0.0922% (0.17 1.0 10.00 0.02 0.02) = 0.092% T HB VAL 41 - HG3 LYS+ 65 3.571% * 0.0852% (0.16 1.0 10.00 0.02 0.02) = 0.085% QB LYS+ 65 - HG3 LYS+ 102 3.571% * 0.0518% (0.96 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 71 - HG3 LYS+ 102 3.571% * 0.0500% (0.92 1.0 1.00 0.02 0.02) = 0.050% T HB VAL 41 - HG3 LYS+ 33 3.571% * 0.0497% (0.09 1.0 10.00 0.02 0.02) = 0.050% HG2 PRO 93 - HG3 LYS+ 102 3.571% * 0.0453% (0.84 1.0 1.00 0.02 0.02) = 0.045% HG2 PRO 93 - HG3 LYS+ 65 3.571% * 0.0359% (0.66 1.0 1.00 0.02 0.95) = 0.036% QB LYS+ 65 - HG3 LYS+ 33 3.571% * 0.0240% (0.44 1.0 1.00 0.02 0.98) = 0.024% QB LYS+ 66 - HG3 LYS+ 102 3.571% * 0.0233% (0.43 1.0 1.00 0.02 0.02) = 0.023% HB2 LEU 71 - HG3 LYS+ 33 3.571% * 0.0232% (0.43 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 93 - HG3 LYS+ 33 3.571% * 0.0210% (0.39 1.0 1.00 0.02 0.02) = 0.021% T HB VAL 41 - HG3 LYS+ 106 3.571% * 0.0182% (0.03 1.0 10.00 0.02 0.32) = 0.018% QB LYS+ 66 - HG3 LYS+ 33 3.571% * 0.0108% (0.20 1.0 1.00 0.02 0.02) = 0.011% HB3 GLN 17 - HG3 LYS+ 102 3.571% * 0.0107% (0.20 1.0 1.00 0.02 0.02) = 0.011% QB LYS+ 65 - HG3 LYS+ 106 3.571% * 0.0088% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB3 GLN 17 - HG3 LYS+ 65 3.571% * 0.0085% (0.16 1.0 1.00 0.02 0.02) = 0.009% HB2 LEU 71 - HG3 LYS+ 106 3.571% * 0.0085% (0.16 1.0 1.00 0.02 0.02) = 0.009% HG2 PRO 93 - HG3 LYS+ 106 3.571% * 0.0077% (0.14 1.0 1.00 0.02 0.02) = 0.008% HB3 GLN 17 - HG3 LYS+ 33 3.571% * 0.0050% (0.09 1.0 1.00 0.02 0.02) = 0.005% QB LYS+ 66 - HG3 LYS+ 106 3.571% * 0.0040% (0.07 1.0 1.00 0.02 0.02) = 0.004% HB3 GLN 17 - HG3 LYS+ 106 3.571% * 0.0018% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1234 (1.45, 1.38, 25.01 ppm): 32 chemical-shift based assignments, quality = 0.939, support = 4.1, residual support = 115.4: * O T HG2 LYS+ 102 - HG3 LYS+ 102 3.125% * 87.8408% (1.00 10.0 10.00 4.31 128.82) = 87.841% kept QG LYS+ 66 - HG3 LYS+ 65 3.125% * 8.8466% (0.58 1.0 1.00 3.49 24.95) = 8.847% kept HG LEU 73 - HG3 LYS+ 65 3.125% * 1.3255% (0.76 1.0 1.00 0.40 0.02) = 1.326% kept T HG2 LYS+ 102 - HG3 LYS+ 65 3.125% * 0.6972% (0.79 1.0 10.00 0.02 0.02) = 0.697% T HG2 LYS+ 102 - HG3 LYS+ 33 3.125% * 0.4071% (0.46 1.0 10.00 0.02 0.02) = 0.407% T HG2 LYS+ 102 - HG3 LYS+ 106 3.125% * 0.1493% (0.17 1.0 10.00 0.02 0.02) = 0.149% HG LEU 73 - HG3 LYS+ 102 3.125% * 0.0840% (0.96 1.0 1.00 0.02 0.02) = 0.084% QG LYS+ 66 - HG3 LYS+ 102 3.125% * 0.0638% (0.73 1.0 1.00 0.02 0.02) = 0.064% HG LEU 40 - HG3 LYS+ 102 3.125% * 0.0533% (0.61 1.0 1.00 0.02 0.02) = 0.053% HB3 LEU 115 - HG3 LYS+ 102 3.125% * 0.0533% (0.61 1.0 1.00 0.02 0.02) = 0.053% HB3 LEU 115 - HG3 LYS+ 65 3.125% * 0.0423% (0.48 1.0 1.00 0.02 1.64) = 0.042% HG LEU 40 - HG3 LYS+ 65 3.125% * 0.0423% (0.48 1.0 1.00 0.02 0.02) = 0.042% HG LEU 73 - HG3 LYS+ 33 3.125% * 0.0389% (0.44 1.0 1.00 0.02 0.02) = 0.039% HB3 LEU 67 - HG3 LYS+ 102 3.125% * 0.0377% (0.43 1.0 1.00 0.02 0.02) = 0.038% HG LEU 67 - HG3 LYS+ 102 3.125% * 0.0377% (0.43 1.0 1.00 0.02 0.02) = 0.038% HB3 LEU 67 - HG3 LYS+ 65 3.125% * 0.0299% (0.34 1.0 1.00 0.02 0.11) = 0.030% HG LEU 67 - HG3 LYS+ 65 3.125% * 0.0299% (0.34 1.0 1.00 0.02 0.11) = 0.030% QG LYS+ 66 - HG3 LYS+ 33 3.125% * 0.0296% (0.34 1.0 1.00 0.02 0.02) = 0.030% HB3 LEU 115 - HG3 LYS+ 33 3.125% * 0.0247% (0.28 1.0 1.00 0.02 0.02) = 0.025% HG LEU 40 - HG3 LYS+ 33 3.125% * 0.0247% (0.28 1.0 1.00 0.02 0.02) = 0.025% QB ALA 61 - HG3 LYS+ 102 3.125% * 0.0207% (0.24 1.0 1.00 0.02 0.02) = 0.021% HB3 LEU 67 - HG3 LYS+ 33 3.125% * 0.0175% (0.20 1.0 1.00 0.02 0.02) = 0.017% HG LEU 67 - HG3 LYS+ 33 3.125% * 0.0175% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB ALA 61 - HG3 LYS+ 65 3.125% * 0.0164% (0.19 1.0 1.00 0.02 0.02) = 0.016% HG LEU 73 - HG3 LYS+ 106 3.125% * 0.0143% (0.16 1.0 1.00 0.02 5.68) = 0.014% QG LYS+ 66 - HG3 LYS+ 106 3.125% * 0.0108% (0.12 1.0 1.00 0.02 0.02) = 0.011% QB ALA 61 - HG3 LYS+ 33 3.125% * 0.0096% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 115 - HG3 LYS+ 106 3.125% * 0.0091% (0.10 1.0 1.00 0.02 0.02) = 0.009% HG LEU 40 - HG3 LYS+ 106 3.125% * 0.0091% (0.10 1.0 1.00 0.02 0.02) = 0.009% HB3 LEU 67 - HG3 LYS+ 106 3.125% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% HG LEU 67 - HG3 LYS+ 106 3.125% * 0.0064% (0.07 1.0 1.00 0.02 0.02) = 0.006% QB ALA 61 - HG3 LYS+ 106 3.125% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.004% 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 (0.76) kept HG3 LYS+ 33 - HG3 LYS+ 33 (0.41) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.15) kept Peak 1236 (1.68, 1.38, 25.01 ppm): 36 chemical-shift based assignments, quality = 0.834, support = 3.88, residual support = 121.2: * O T QD LYS+ 102 - HG3 LYS+ 102 2.778% * 79.5092% (1.00 10.0 10.00 4.00 128.82) = 79.509% kept O T QD LYS+ 65 - HG3 LYS+ 65 2.778% * 17.5459% (0.22 10.0 10.00 3.97 106.91) = 17.546% kept T QD LYS+ 102 - HG3 LYS+ 65 2.778% * 0.6311% (0.79 1.0 10.00 0.02 0.02) = 0.631% T QD LYS+ 102 - HG3 LYS+ 33 2.778% * 0.3685% (0.46 1.0 10.00 0.02 0.02) = 0.368% T HD2 LYS+ 111 - HG3 LYS+ 102 2.778% * 0.3415% (0.43 1.0 10.00 0.02 0.02) = 0.342% T HD2 LYS+ 111 - HG3 LYS+ 65 2.778% * 0.2711% (0.34 1.0 10.00 0.02 0.02) = 0.271% T QD LYS+ 65 - HG3 LYS+ 102 2.778% * 0.2211% (0.28 1.0 10.00 0.02 0.02) = 0.221% T HD2 LYS+ 111 - HG3 LYS+ 33 2.778% * 0.1583% (0.20 1.0 10.00 0.02 0.02) = 0.158% T QD LYS+ 102 - HG3 LYS+ 106 2.778% * 0.1351% (0.17 1.0 10.00 0.02 0.02) = 0.135% T QD LYS+ 65 - HG3 LYS+ 33 2.778% * 0.1024% (0.13 1.0 10.00 0.02 0.98) = 0.102% HG3 PRO 93 - HG3 LYS+ 102 2.778% * 0.0702% (0.88 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 123 - HG3 LYS+ 102 2.778% * 0.0664% (0.84 1.0 1.00 0.02 0.02) = 0.066% T HD2 LYS+ 111 - HG3 LYS+ 106 2.778% * 0.0581% (0.07 1.0 10.00 0.02 0.02) = 0.058% HG3 PRO 93 - HG3 LYS+ 65 2.778% * 0.0557% (0.70 1.0 1.00 0.02 0.95) = 0.056% HB2 LEU 123 - HG3 LYS+ 65 2.778% * 0.0527% (0.66 1.0 1.00 0.02 0.74) = 0.053% QD LYS+ 38 - HG3 LYS+ 102 2.778% * 0.0482% (0.61 1.0 1.00 0.02 0.66) = 0.048% QD LYS+ 38 - HG3 LYS+ 65 2.778% * 0.0383% (0.48 1.0 1.00 0.02 0.02) = 0.038% T QD LYS+ 65 - HG3 LYS+ 106 2.778% * 0.0376% (0.05 1.0 10.00 0.02 0.02) = 0.038% HG3 PRO 93 - HG3 LYS+ 33 2.778% * 0.0325% (0.41 1.0 1.00 0.02 0.02) = 0.033% HB2 LEU 123 - HG3 LYS+ 33 2.778% * 0.0308% (0.39 1.0 1.00 0.02 0.02) = 0.031% HB VAL 83 - HG3 LYS+ 102 2.778% * 0.0298% (0.38 1.0 1.00 0.02 0.02) = 0.030% HB VAL 83 - HG3 LYS+ 65 2.778% * 0.0237% (0.30 1.0 1.00 0.02 0.02) = 0.024% QD LYS+ 38 - HG3 LYS+ 33 2.778% * 0.0223% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB3 MET 92 - HG3 LYS+ 102 2.778% * 0.0221% (0.28 1.0 1.00 0.02 0.02) = 0.022% HB2 LYS+ 121 - HG3 LYS+ 102 2.778% * 0.0187% (0.24 1.0 1.00 0.02 0.02) = 0.019% HB3 MET 92 - HG3 LYS+ 65 2.778% * 0.0175% (0.22 1.0 1.00 0.02 0.02) = 0.018% HB2 LYS+ 121 - HG3 LYS+ 65 2.778% * 0.0149% (0.19 1.0 1.00 0.02 0.02) = 0.015% HB VAL 83 - HG3 LYS+ 33 2.778% * 0.0138% (0.17 1.0 1.00 0.02 0.21) = 0.014% HG3 PRO 93 - HG3 LYS+ 106 2.778% * 0.0119% (0.15 1.0 1.00 0.02 0.02) = 0.012% HB2 LEU 123 - HG3 LYS+ 106 2.778% * 0.0113% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 MET 92 - HG3 LYS+ 33 2.778% * 0.0102% (0.13 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 121 - HG3 LYS+ 33 2.778% * 0.0087% (0.11 1.0 1.00 0.02 0.02) = 0.009% QD LYS+ 38 - HG3 LYS+ 106 2.778% * 0.0082% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB VAL 83 - HG3 LYS+ 106 2.778% * 0.0051% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB3 MET 92 - HG3 LYS+ 106 2.778% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 121 - HG3 LYS+ 106 2.778% * 0.0032% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1237 (3.02, 1.38, 25.01 ppm): 12 chemical-shift based assignments, quality = 0.886, support = 2.88, residual support = 84.7: * O T QE LYS+ 102 - HG3 LYS+ 102 8.333% * 65.6458% (1.00 10.0 10.00 4.00 128.82) = 65.646% kept T QE LYS+ 38 - HG3 LYS+ 102 8.333% * 22.5294% (0.84 1.0 10.00 0.82 0.66) = 22.529% kept T QE LYS+ 99 - HG3 LYS+ 102 8.333% * 9.7031% (0.43 1.0 10.00 0.69 0.02) = 9.703% kept T QE LYS+ 102 - HG3 LYS+ 65 8.333% * 0.5210% (0.79 1.0 10.00 0.02 0.02) = 0.521% T QE LYS+ 38 - HG3 LYS+ 65 8.333% * 0.4352% (0.66 1.0 10.00 0.02 0.02) = 0.435% T QE LYS+ 102 - HG3 LYS+ 33 8.333% * 0.3042% (0.46 1.0 10.00 0.02 0.02) = 0.304% T QE LYS+ 38 - HG3 LYS+ 33 8.333% * 0.2541% (0.39 1.0 10.00 0.02 0.02) = 0.254% T QE LYS+ 99 - HG3 LYS+ 65 8.333% * 0.2238% (0.34 1.0 10.00 0.02 0.02) = 0.224% T QE LYS+ 99 - HG3 LYS+ 33 8.333% * 0.1307% (0.20 1.0 10.00 0.02 0.02) = 0.131% T QE LYS+ 102 - HG3 LYS+ 106 8.333% * 0.1116% (0.17 1.0 10.00 0.02 0.02) = 0.112% T QE LYS+ 38 - HG3 LYS+ 106 8.333% * 0.0932% (0.14 1.0 10.00 0.02 0.02) = 0.093% T QE LYS+ 99 - HG3 LYS+ 106 8.333% * 0.0479% (0.07 1.0 10.00 0.02 0.02) = 0.048% Peak 1238 (4.60, 1.68, 29.29 ppm): 15 chemical-shift based assignments, quality = 0.99, support = 4.39, residual support = 127.5: * T HA LYS+ 102 - QD LYS+ 102 6.667% * 99.0121% (1.00 10.00 4.43 128.82) = 99.012% kept HA CYS 21 - QD LYS+ 102 6.667% * 0.5901% (0.67 1.00 0.18 0.02) = 0.590% T HA LYS+ 102 - HD2 LYS+ 111 6.667% * 0.1619% (0.16 10.00 0.02 0.02) = 0.162% T HA LYS+ 102 - QD LYS+ 65 6.667% * 0.1229% (0.12 10.00 0.02 0.02) = 0.123% HA TRP 49 - QD LYS+ 102 6.667% * 0.0372% (0.38 1.00 0.02 0.02) = 0.037% HA1 GLY 109 - QD LYS+ 102 6.667% * 0.0196% (0.20 1.00 0.02 0.02) = 0.020% HA CYS 50 - QD LYS+ 102 6.667% * 0.0163% (0.16 1.00 0.02 0.02) = 0.016% HA CYS 21 - HD2 LYS+ 111 6.667% * 0.0108% (0.11 1.00 0.02 0.02) = 0.011% HA CYS 21 - QD LYS+ 65 6.667% * 0.0082% (0.08 1.00 0.02 0.02) = 0.008% HA TRP 49 - HD2 LYS+ 111 6.667% * 0.0061% (0.06 1.00 0.02 0.02) = 0.006% HA TRP 49 - QD LYS+ 65 6.667% * 0.0046% (0.05 1.00 0.02 0.02) = 0.005% HA1 GLY 109 - HD2 LYS+ 111 6.667% * 0.0032% (0.03 1.00 0.02 0.02) = 0.003% HA CYS 50 - HD2 LYS+ 111 6.667% * 0.0027% (0.03 1.00 0.02 0.02) = 0.003% HA1 GLY 109 - QD LYS+ 65 6.667% * 0.0024% (0.02 1.00 0.02 0.02) = 0.002% HA CYS 50 - QD LYS+ 65 6.667% * 0.0020% (0.02 1.00 0.02 0.02) = 0.002% Peak 1239 (1.81, 1.68, 29.29 ppm): 21 chemical-shift based assignments, quality = 0.877, support = 4.6, residual support = 122.4: * O T QB LYS+ 102 - QD LYS+ 102 4.762% * 86.5279% (1.00 10.0 10.00 4.72 128.82) = 86.528% kept O T QB LYS+ 65 - QD LYS+ 65 4.762% * 10.2678% (0.12 10.0 10.00 5.00 106.91) = 10.268% kept QB LYS+ 66 - QD LYS+ 65 4.762% * 0.8762% (0.05 1.0 1.00 3.80 24.95) = 0.876% T QB LYS+ 65 - QD LYS+ 102 4.762% * 0.8272% (0.96 1.0 10.00 0.02 0.02) = 0.827% T HG2 PRO 93 - QD LYS+ 102 4.762% * 0.7227% (0.84 1.0 10.00 0.02 0.02) = 0.723% T HB VAL 41 - QD LYS+ 102 4.762% * 0.1712% (0.20 1.0 10.00 0.02 0.02) = 0.171% T QB LYS+ 102 - HD2 LYS+ 111 4.762% * 0.1415% (0.16 1.0 10.00 0.02 0.02) = 0.141% T HG2 PRO 93 - HD2 LYS+ 111 4.762% * 0.1182% (0.14 1.0 10.00 0.02 0.02) = 0.118% T QB LYS+ 102 - QD LYS+ 65 4.762% * 0.1074% (0.12 1.0 10.00 0.02 0.02) = 0.107% HB2 LEU 71 - QD LYS+ 102 4.762% * 0.0799% (0.92 1.0 1.00 0.02 0.02) = 0.080% QB LYS+ 66 - QD LYS+ 102 4.762% * 0.0372% (0.43 1.0 1.00 0.02 0.02) = 0.037% T HB VAL 41 - HD2 LYS+ 111 4.762% * 0.0280% (0.03 1.0 10.00 0.02 0.02) = 0.028% T HB VAL 41 - QD LYS+ 65 4.762% * 0.0213% (0.02 1.0 10.00 0.02 0.02) = 0.021% HB3 GLN 17 - QD LYS+ 102 4.762% * 0.0171% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB LYS+ 65 - HD2 LYS+ 111 4.762% * 0.0135% (0.16 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 71 - HD2 LYS+ 111 4.762% * 0.0131% (0.15 1.0 1.00 0.02 0.02) = 0.013% HB2 LEU 71 - QD LYS+ 65 4.762% * 0.0099% (0.11 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 93 - QD LYS+ 65 4.762% * 0.0090% (0.10 1.0 1.00 0.02 0.95) = 0.009% QB LYS+ 66 - HD2 LYS+ 111 4.762% * 0.0061% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 GLN 17 - HD2 LYS+ 111 4.762% * 0.0028% (0.03 1.0 1.00 0.02 0.02) = 0.003% HB3 GLN 17 - QD LYS+ 65 4.762% * 0.0021% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1240 (1.45, 1.68, 29.29 ppm): 24 chemical-shift based assignments, quality = 0.977, support = 4.27, residual support = 126.0: * O T HG2 LYS+ 102 - QD LYS+ 102 4.167% * 97.5161% (1.00 10.0 10.00 4.31 128.82) = 97.516% kept QG LYS+ 66 - QD LYS+ 65 4.167% * 1.7113% (0.09 1.0 1.00 3.89 24.95) = 1.711% kept T HG2 LYS+ 102 - HD2 LYS+ 111 4.167% * 0.1594% (0.16 1.0 10.00 0.02 0.02) = 0.159% T HG2 LYS+ 102 - QD LYS+ 65 4.167% * 0.1210% (0.12 1.0 10.00 0.02 0.02) = 0.121% HG LEU 73 - QD LYS+ 102 4.167% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% QG LYS+ 66 - QD LYS+ 102 4.167% * 0.0708% (0.73 1.0 1.00 0.02 0.02) = 0.071% HG LEU 40 - QD LYS+ 102 4.167% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 115 - QD LYS+ 102 4.167% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 LEU 67 - QD LYS+ 102 4.167% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG LEU 67 - QD LYS+ 102 4.167% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% QB ALA 61 - QD LYS+ 102 4.167% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG LEU 73 - HD2 LYS+ 111 4.167% * 0.0152% (0.16 1.0 1.00 0.02 0.11) = 0.015% QG LYS+ 66 - HD2 LYS+ 111 4.167% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HG LEU 73 - QD LYS+ 65 4.167% * 0.0116% (0.12 1.0 1.00 0.02 0.02) = 0.012% HG LEU 40 - HD2 LYS+ 111 4.167% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% HB3 LEU 115 - HD2 LYS+ 111 4.167% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG LEU 40 - QD LYS+ 65 4.167% * 0.0073% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 115 - QD LYS+ 65 4.167% * 0.0073% (0.08 1.0 1.00 0.02 1.64) = 0.007% HB3 LEU 67 - HD2 LYS+ 111 4.167% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HG LEU 67 - HD2 LYS+ 111 4.167% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 LEU 67 - QD LYS+ 65 4.167% * 0.0052% (0.05 1.0 1.00 0.02 0.11) = 0.005% HG LEU 67 - QD LYS+ 65 4.167% * 0.0052% (0.05 1.0 1.00 0.02 0.11) = 0.005% QB ALA 61 - HD2 LYS+ 111 4.167% * 0.0038% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 61 - QD LYS+ 65 4.167% * 0.0029% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1241 (1.38, 1.68, 29.29 ppm): 27 chemical-shift based assignments, quality = 0.85, support = 3.89, residual support = 118.5: * O T HG3 LYS+ 102 - QD LYS+ 102 3.704% * 83.2558% (1.00 10.0 10.00 4.00 128.82) = 83.256% kept O T HG3 LYS+ 65 - QD LYS+ 65 3.704% * 9.8796% (0.12 10.0 10.00 3.97 106.91) = 9.880% kept HB2 LYS+ 112 - HD2 LYS+ 111 3.704% * 3.3350% (0.16 1.0 1.00 5.00 19.99) = 3.335% kept T HG3 LYS+ 65 - QD LYS+ 102 3.704% * 0.7959% (0.96 1.0 10.00 0.02 0.02) = 0.796% T HG3 LYS+ 106 - QD LYS+ 102 3.704% * 0.7347% (0.88 1.0 10.00 0.02 0.02) = 0.735% T HG3 LYS+ 33 - QD LYS+ 102 3.704% * 0.7347% (0.88 1.0 10.00 0.02 0.02) = 0.735% T HG3 LYS+ 102 - HD2 LYS+ 111 3.704% * 0.1361% (0.16 1.0 10.00 0.02 0.02) = 0.136% T HB3 LEU 73 - HD2 LYS+ 111 3.704% * 0.1354% (0.16 1.0 10.00 0.02 0.11) = 0.135% T HG3 LYS+ 65 - HD2 LYS+ 111 3.704% * 0.1301% (0.16 1.0 10.00 0.02 0.02) = 0.130% T HG3 LYS+ 106 - HD2 LYS+ 111 3.704% * 0.1201% (0.14 1.0 10.00 0.02 0.02) = 0.120% T HG3 LYS+ 33 - HD2 LYS+ 111 3.704% * 0.1201% (0.14 1.0 10.00 0.02 0.02) = 0.120% T HG3 LYS+ 102 - QD LYS+ 65 3.704% * 0.1033% (0.12 1.0 10.00 0.02 0.02) = 0.103% T HG3 LYS+ 106 - QD LYS+ 65 3.704% * 0.0912% (0.11 1.0 10.00 0.02 0.02) = 0.091% T HG3 LYS+ 33 - QD LYS+ 65 3.704% * 0.0912% (0.11 1.0 10.00 0.02 0.98) = 0.091% HB3 LEU 73 - QD LYS+ 102 3.704% * 0.0828% (1.00 1.0 1.00 0.02 0.02) = 0.083% HB2 LYS+ 112 - QD LYS+ 102 3.704% * 0.0816% (0.98 1.0 1.00 0.02 0.02) = 0.082% HB VAL 42 - QD LYS+ 102 3.704% * 0.0796% (0.96 1.0 1.00 0.02 0.02) = 0.080% QB ALA 12 - QD LYS+ 102 3.704% * 0.0270% (0.32 1.0 1.00 0.02 0.02) = 0.027% HB VAL 42 - HD2 LYS+ 111 3.704% * 0.0130% (0.16 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 93 - QD LYS+ 102 3.704% * 0.0113% (0.14 1.0 1.00 0.02 0.02) = 0.011% HB3 LEU 73 - QD LYS+ 65 3.704% * 0.0103% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB2 LYS+ 112 - QD LYS+ 65 3.704% * 0.0101% (0.12 1.0 1.00 0.02 0.02) = 0.010% HB VAL 42 - QD LYS+ 65 3.704% * 0.0099% (0.12 1.0 1.00 0.02 0.02) = 0.010% QB ALA 12 - HD2 LYS+ 111 3.704% * 0.0044% (0.05 1.0 1.00 0.02 0.02) = 0.004% QB ALA 12 - QD LYS+ 65 3.704% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% HB3 PRO 93 - HD2 LYS+ 111 3.704% * 0.0018% (0.02 1.0 1.00 0.02 0.02) = 0.002% HB3 PRO 93 - QD LYS+ 65 3.704% * 0.0014% (0.02 1.0 1.00 0.02 0.95) = 0.001% 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 (0.07) kept QD LYS+ 65 - QD LYS+ 65 (0.03) kept Peak 1243 (3.02, 1.68, 29.29 ppm): 9 chemical-shift based assignments, quality = 0.897, support = 2.89, residual support = 84.0: * O T QE LYS+ 102 - QD LYS+ 102 11.111% * 65.0567% (1.00 10.0 10.00 4.00 128.82) = 65.057% kept T QE LYS+ 38 - QD LYS+ 102 11.111% * 24.0739% (0.84 1.0 10.00 0.89 0.66) = 24.074% kept T QE LYS+ 99 - QD LYS+ 102 11.111% * 10.4456% (0.43 1.0 10.00 0.75 0.02) = 10.446% kept T QE LYS+ 102 - HD2 LYS+ 111 11.111% * 0.1064% (0.16 1.0 10.00 0.02 0.02) = 0.106% T QE LYS+ 38 - HD2 LYS+ 111 11.111% * 0.0888% (0.14 1.0 10.00 0.02 0.02) = 0.089% T QE LYS+ 102 - QD LYS+ 65 11.111% * 0.0808% (0.12 1.0 10.00 0.02 0.02) = 0.081% T QE LYS+ 38 - QD LYS+ 65 11.111% * 0.0675% (0.10 1.0 10.00 0.02 0.02) = 0.067% T QE LYS+ 99 - HD2 LYS+ 111 11.111% * 0.0457% (0.07 1.0 10.00 0.02 0.02) = 0.046% T QE LYS+ 99 - QD LYS+ 65 11.111% * 0.0347% (0.05 1.0 10.00 0.02 0.02) = 0.035% Peak 1244 (4.60, 3.02, 42.50 ppm): 15 chemical-shift based assignments, quality = 0.918, support = 3.93, residual support = 112.7: * T HA LYS+ 102 - QE LYS+ 102 6.667% * 87.4321% (1.00 10.00 4.43 128.82) = 87.432% kept T HA LYS+ 102 - QE LYS+ 99 6.667% * 8.1747% (0.43 10.00 0.44 0.02) = 8.175% kept T HA LYS+ 102 - QE LYS+ 38 6.667% * 4.1926% (0.21 10.00 0.46 0.66) = 4.193% kept HA CYS 21 - QE LYS+ 102 6.667% * 0.0583% (0.67 1.00 0.02 0.02) = 0.058% HA TRP 49 - QE LYS+ 102 6.667% * 0.0328% (0.38 1.00 0.02 0.02) = 0.033% HA CYS 21 - QE LYS+ 99 6.667% * 0.0249% (0.28 1.00 0.02 0.02) = 0.025% HA1 GLY 109 - QE LYS+ 102 6.667% * 0.0173% (0.20 1.00 0.02 0.02) = 0.017% HA CYS 50 - QE LYS+ 102 6.667% * 0.0144% (0.16 1.00 0.02 0.02) = 0.014% HA TRP 49 - QE LYS+ 99 6.667% * 0.0140% (0.16 1.00 0.02 0.02) = 0.014% HA CYS 21 - QE LYS+ 38 6.667% * 0.0121% (0.14 1.00 0.02 0.02) = 0.012% HA1 GLY 109 - QE LYS+ 99 6.667% * 0.0074% (0.08 1.00 0.02 0.02) = 0.007% HA TRP 49 - QE LYS+ 38 6.667% * 0.0068% (0.08 1.00 0.02 0.02) = 0.007% HA CYS 50 - QE LYS+ 99 6.667% * 0.0061% (0.07 1.00 0.02 0.02) = 0.006% HA1 GLY 109 - QE LYS+ 38 6.667% * 0.0036% (0.04 1.00 0.02 0.02) = 0.004% HA CYS 50 - QE LYS+ 38 6.667% * 0.0030% (0.03 1.00 0.02 0.02) = 0.003% Peak 1245 (1.81, 3.02, 42.50 ppm): 21 chemical-shift based assignments, quality = 0.892, support = 4.03, residual support = 107.2: * T QB LYS+ 102 - QE LYS+ 102 4.762% * 83.2079% (1.00 10.00 4.72 128.82) = 83.208% kept T QB LYS+ 102 - QE LYS+ 99 4.762% * 12.1050% (0.43 10.00 0.68 0.02) = 12.105% kept T QB LYS+ 102 - QE LYS+ 38 4.762% * 3.9639% (0.21 10.00 0.46 0.66) = 3.964% kept T HB VAL 41 - QE LYS+ 102 4.762% * 0.1647% (0.20 10.00 0.02 0.02) = 0.165% QB LYS+ 65 - QE LYS+ 102 4.762% * 0.0795% (0.96 1.00 0.02 0.02) = 0.080% HB2 LEU 71 - QE LYS+ 102 4.762% * 0.0768% (0.92 1.00 0.02 0.02) = 0.077% T HB VAL 41 - QE LYS+ 99 4.762% * 0.0702% (0.08 10.00 0.02 0.02) = 0.070% HG2 PRO 93 - QE LYS+ 102 4.762% * 0.0695% (0.84 1.00 0.02 0.02) = 0.070% QB LYS+ 66 - QE LYS+ 102 4.762% * 0.0357% (0.43 1.00 0.02 0.02) = 0.036% T HB VAL 41 - QE LYS+ 38 4.762% * 0.0341% (0.04 10.00 0.02 0.02) = 0.034% QB LYS+ 65 - QE LYS+ 99 4.762% * 0.0339% (0.41 1.00 0.02 0.02) = 0.034% HB2 LEU 71 - QE LYS+ 99 4.762% * 0.0328% (0.39 1.00 0.02 0.02) = 0.033% HG2 PRO 93 - QE LYS+ 99 4.762% * 0.0296% (0.36 1.00 0.02 0.26) = 0.030% QB LYS+ 65 - QE LYS+ 38 4.762% * 0.0165% (0.20 1.00 0.02 0.02) = 0.016% HB3 GLN 17 - QE LYS+ 102 4.762% * 0.0165% (0.20 1.00 0.02 0.02) = 0.016% HB2 LEU 71 - QE LYS+ 38 4.762% * 0.0159% (0.19 1.00 0.02 0.02) = 0.016% QB LYS+ 66 - QE LYS+ 99 4.762% * 0.0152% (0.18 1.00 0.02 0.02) = 0.015% HG2 PRO 93 - QE LYS+ 38 4.762% * 0.0144% (0.17 1.00 0.02 0.02) = 0.014% QB LYS+ 66 - QE LYS+ 38 4.762% * 0.0074% (0.09 1.00 0.02 0.02) = 0.007% HB3 GLN 17 - QE LYS+ 99 4.762% * 0.0070% (0.08 1.00 0.02 0.02) = 0.007% HB3 GLN 17 - QE LYS+ 38 4.762% * 0.0034% (0.04 1.00 0.02 0.02) = 0.003% Peak 1246 (1.45, 3.02, 42.50 ppm): 24 chemical-shift based assignments, quality = 0.844, support = 3.51, residual support = 99.3: * O T HG2 LYS+ 102 - QE LYS+ 102 4.167% * 76.9539% (1.00 10.0 10.00 4.31 128.82) = 76.954% kept T HG2 LYS+ 102 - QE LYS+ 99 4.167% * 12.9224% (0.43 1.0 10.00 0.79 0.02) = 12.922% kept T HG2 LYS+ 102 - QE LYS+ 38 4.167% * 7.4162% (0.21 1.0 10.00 0.93 0.66) = 7.416% kept HG LEU 40 - QE LYS+ 99 4.167% * 1.5550% (0.26 1.0 1.00 1.56 5.03) = 1.555% kept HG LEU 40 - QE LYS+ 102 4.167% * 0.7175% (0.61 1.0 1.00 0.31 0.02) = 0.717% HG LEU 73 - QE LYS+ 102 4.167% * 0.0736% (0.96 1.0 1.00 0.02 0.02) = 0.074% QG LYS+ 66 - QE LYS+ 102 4.167% * 0.0559% (0.73 1.0 1.00 0.02 0.02) = 0.056% HB3 LEU 115 - QE LYS+ 102 4.167% * 0.0467% (0.61 1.0 1.00 0.02 0.02) = 0.047% HB3 LEU 67 - QE LYS+ 102 4.167% * 0.0331% (0.43 1.0 1.00 0.02 0.02) = 0.033% HG LEU 67 - QE LYS+ 102 4.167% * 0.0331% (0.43 1.0 1.00 0.02 0.02) = 0.033% HG LEU 73 - QE LYS+ 99 4.167% * 0.0314% (0.41 1.0 1.00 0.02 0.02) = 0.031% QG LYS+ 66 - QE LYS+ 99 4.167% * 0.0238% (0.31 1.0 1.00 0.02 0.02) = 0.024% HB3 LEU 115 - QE LYS+ 99 4.167% * 0.0199% (0.26 1.0 1.00 0.02 0.02) = 0.020% QB ALA 61 - QE LYS+ 102 4.167% * 0.0181% (0.24 1.0 1.00 0.02 0.02) = 0.018% HG LEU 73 - QE LYS+ 38 4.167% * 0.0152% (0.20 1.0 1.00 0.02 0.02) = 0.015% HB3 LEU 67 - QE LYS+ 99 4.167% * 0.0141% (0.18 1.0 1.00 0.02 0.02) = 0.014% HG LEU 67 - QE LYS+ 99 4.167% * 0.0141% (0.18 1.0 1.00 0.02 0.02) = 0.014% QG LYS+ 66 - QE LYS+ 38 4.167% * 0.0116% (0.15 1.0 1.00 0.02 0.02) = 0.012% HG LEU 40 - QE LYS+ 38 4.167% * 0.0097% (0.13 1.0 1.00 0.02 0.27) = 0.010% HB3 LEU 115 - QE LYS+ 38 4.167% * 0.0097% (0.13 1.0 1.00 0.02 0.02) = 0.010% QB ALA 61 - QE LYS+ 99 4.167% * 0.0077% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 67 - QE LYS+ 38 4.167% * 0.0068% (0.09 1.0 1.00 0.02 0.02) = 0.007% HG LEU 67 - QE LYS+ 38 4.167% * 0.0068% (0.09 1.0 1.00 0.02 0.02) = 0.007% QB ALA 61 - QE LYS+ 38 4.167% * 0.0038% (0.05 1.0 1.00 0.02 0.02) = 0.004% Peak 1247 (1.38, 3.02, 42.50 ppm): 27 chemical-shift based assignments, quality = 0.886, support = 3.42, residual support = 107.5: * O T HG3 LYS+ 102 - QE LYS+ 102 3.704% * 83.4160% (1.00 10.0 10.00 4.00 128.82) = 83.416% kept T HG3 LYS+ 102 - QE LYS+ 99 3.704% * 12.2413% (0.43 1.0 10.00 0.69 0.02) = 12.241% kept T HG3 LYS+ 65 - QE LYS+ 102 3.704% * 0.7975% (0.96 1.0 10.00 0.02 0.02) = 0.797% T HG3 LYS+ 106 - QE LYS+ 102 3.704% * 0.7361% (0.88 1.0 10.00 0.02 0.02) = 0.736% T HG3 LYS+ 33 - QE LYS+ 102 3.704% * 0.7361% (0.88 1.0 10.00 0.02 0.02) = 0.736% T HG3 LYS+ 65 - QE LYS+ 99 3.704% * 0.3401% (0.41 1.0 10.00 0.02 0.02) = 0.340% T HG3 LYS+ 106 - QE LYS+ 99 3.704% * 0.3139% (0.38 1.0 10.00 0.02 0.02) = 0.314% T HG3 LYS+ 33 - QE LYS+ 99 3.704% * 0.3139% (0.38 1.0 10.00 0.02 0.02) = 0.314% T HG3 LYS+ 102 - QE LYS+ 38 3.704% * 0.1728% (0.21 1.0 10.00 0.02 0.66) = 0.173% T HG3 LYS+ 65 - QE LYS+ 38 3.704% * 0.1652% (0.20 1.0 10.00 0.02 0.02) = 0.165% T HG3 LYS+ 106 - QE LYS+ 38 3.704% * 0.1525% (0.18 1.0 10.00 0.02 0.02) = 0.152% T HG3 LYS+ 33 - QE LYS+ 38 3.704% * 0.1525% (0.18 1.0 10.00 0.02 0.02) = 0.152% HB3 LEU 73 - QE LYS+ 102 3.704% * 0.0830% (1.00 1.0 1.00 0.02 0.02) = 0.083% HB2 LYS+ 112 - QE LYS+ 102 3.704% * 0.0818% (0.98 1.0 1.00 0.02 0.02) = 0.082% HB VAL 42 - QE LYS+ 102 3.704% * 0.0797% (0.96 1.0 1.00 0.02 0.02) = 0.080% HB3 LEU 73 - QE LYS+ 99 3.704% * 0.0354% (0.42 1.0 1.00 0.02 0.02) = 0.035% HB2 LYS+ 112 - QE LYS+ 99 3.704% * 0.0349% (0.42 1.0 1.00 0.02 0.02) = 0.035% HB VAL 42 - QE LYS+ 99 3.704% * 0.0340% (0.41 1.0 1.00 0.02 0.02) = 0.034% QB ALA 12 - QE LYS+ 102 3.704% * 0.0271% (0.32 1.0 1.00 0.02 0.02) = 0.027% HB3 LEU 73 - QE LYS+ 38 3.704% * 0.0172% (0.21 1.0 1.00 0.02 0.02) = 0.017% HB2 LYS+ 112 - QE LYS+ 38 3.704% * 0.0169% (0.20 1.0 1.00 0.02 0.02) = 0.017% HB VAL 42 - QE LYS+ 38 3.704% * 0.0165% (0.20 1.0 1.00 0.02 0.02) = 0.017% QB ALA 12 - QE LYS+ 99 3.704% * 0.0115% (0.14 1.0 1.00 0.02 0.02) = 0.012% HB3 PRO 93 - QE LYS+ 102 3.704% * 0.0113% (0.14 1.0 1.00 0.02 0.02) = 0.011% QB ALA 12 - QE LYS+ 38 3.704% * 0.0056% (0.07 1.0 1.00 0.02 0.02) = 0.006% HB3 PRO 93 - QE LYS+ 99 3.704% * 0.0048% (0.06 1.0 1.00 0.02 0.26) = 0.005% HB3 PRO 93 - QE LYS+ 38 3.704% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1248 (1.68, 3.02, 42.50 ppm): 27 chemical-shift based assignments, quality = 0.831, support = 3.51, residual support = 117.6: * O T QD LYS+ 102 - QE LYS+ 102 3.704% * 76.6995% (1.00 10.0 10.00 4.00 128.82) = 76.699% kept T QD LYS+ 102 - QE LYS+ 99 3.704% * 12.2267% (0.43 1.0 10.00 0.75 0.02) = 12.227% kept O QD LYS+ 38 - QE LYS+ 38 3.704% * 9.6354% (0.13 10.0 1.00 3.63 195.26) = 9.635% kept T HD2 LYS+ 111 - QE LYS+ 102 3.704% * 0.3295% (0.43 1.0 10.00 0.02 0.02) = 0.329% T QD LYS+ 65 - QE LYS+ 102 3.704% * 0.2133% (0.28 1.0 10.00 0.02 0.02) = 0.213% T QD LYS+ 102 - QE LYS+ 38 3.704% * 0.1589% (0.21 1.0 10.00 0.02 0.66) = 0.159% T HD2 LYS+ 111 - QE LYS+ 99 3.704% * 0.1405% (0.18 1.0 10.00 0.02 0.02) = 0.141% T QD LYS+ 65 - QE LYS+ 99 3.704% * 0.0909% (0.12 1.0 10.00 0.02 0.02) = 0.091% T HD2 LYS+ 111 - QE LYS+ 38 3.704% * 0.0682% (0.09 1.0 10.00 0.02 0.02) = 0.068% HG3 PRO 93 - QE LYS+ 102 3.704% * 0.0677% (0.88 1.0 1.00 0.02 0.02) = 0.068% HB2 LEU 123 - QE LYS+ 102 3.704% * 0.0641% (0.84 1.0 1.00 0.02 0.02) = 0.064% QD LYS+ 38 - QE LYS+ 102 3.704% * 0.0465% (0.61 1.0 1.00 0.02 0.66) = 0.047% T QD LYS+ 65 - QE LYS+ 38 3.704% * 0.0442% (0.06 1.0 10.00 0.02 0.02) = 0.044% HG3 PRO 93 - QE LYS+ 99 3.704% * 0.0289% (0.38 1.0 1.00 0.02 0.26) = 0.029% HB VAL 83 - QE LYS+ 102 3.704% * 0.0288% (0.38 1.0 1.00 0.02 0.02) = 0.029% HB2 LEU 123 - QE LYS+ 99 3.704% * 0.0273% (0.36 1.0 1.00 0.02 0.02) = 0.027% HB3 MET 92 - QE LYS+ 102 3.704% * 0.0213% (0.28 1.0 1.00 0.02 0.02) = 0.021% QD LYS+ 38 - QE LYS+ 99 3.704% * 0.0198% (0.26 1.0 1.00 0.02 0.60) = 0.020% HB2 LYS+ 121 - QE LYS+ 102 3.704% * 0.0181% (0.24 1.0 1.00 0.02 0.02) = 0.018% HG3 PRO 93 - QE LYS+ 38 3.704% * 0.0140% (0.18 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 123 - QE LYS+ 38 3.704% * 0.0133% (0.17 1.0 1.00 0.02 0.02) = 0.013% HB VAL 83 - QE LYS+ 99 3.704% * 0.0123% (0.16 1.0 1.00 0.02 0.64) = 0.012% HB3 MET 92 - QE LYS+ 99 3.704% * 0.0091% (0.12 1.0 1.00 0.02 0.02) = 0.009% HB2 LYS+ 121 - QE LYS+ 99 3.704% * 0.0077% (0.10 1.0 1.00 0.02 0.02) = 0.008% HB VAL 83 - QE LYS+ 38 3.704% * 0.0060% (0.08 1.0 1.00 0.02 0.02) = 0.006% HB3 MET 92 - QE LYS+ 38 3.704% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB2 LYS+ 121 - QE LYS+ 38 3.704% * 0.0037% (0.05 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 (0.18) kept QE LYS+ 38 - QE LYS+ 38 (0.17) 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 (0.11) kept Peak 1251 (1.86, 4.28, 62.30 ppm): 16 chemical-shift based assignments, quality = 0.988, support = 4.16, residual support = 116.3: * O T HB ILE 103 - HA ILE 103 6.250% * 94.3975% (1.00 10.0 10.00 4.37 123.24) = 94.397% kept HB3 ASP- 105 - HA ILE 103 6.250% * 3.7713% (0.98 1.0 1.00 0.82 0.37) = 3.771% kept QB LYS+ 106 - HA ILE 103 6.250% * 1.0906% (0.61 1.0 1.00 0.38 0.02) = 1.091% kept T HB ILE 103 - HA THR 39 6.250% * 0.2091% (0.22 1.0 10.00 0.02 0.02) = 0.209% HG3 PRO 68 - HA ILE 103 6.250% * 0.0939% (1.00 1.0 1.00 0.02 0.02) = 0.094% HG2 ARG+ 54 - HA ILE 103 6.250% * 0.0939% (1.00 1.0 1.00 0.02 0.02) = 0.094% QB LYS+ 33 - HA ILE 103 6.250% * 0.0833% (0.88 1.0 1.00 0.02 0.02) = 0.083% HB3 GLN 90 - HA ILE 103 6.250% * 0.0739% (0.78 1.0 1.00 0.02 0.54) = 0.074% QB LYS+ 81 - HA ILE 103 6.250% * 0.0630% (0.67 1.0 1.00 0.02 0.02) = 0.063% HG3 PRO 68 - HA THR 39 6.250% * 0.0208% (0.22 1.0 1.00 0.02 0.02) = 0.021% HG2 ARG+ 54 - HA THR 39 6.250% * 0.0208% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB3 ASP- 105 - HA THR 39 6.250% * 0.0205% (0.22 1.0 1.00 0.02 0.02) = 0.020% QB LYS+ 33 - HA THR 39 6.250% * 0.0184% (0.20 1.0 1.00 0.02 0.02) = 0.018% HB3 GLN 90 - HA THR 39 6.250% * 0.0164% (0.17 1.0 1.00 0.02 0.02) = 0.016% QB LYS+ 81 - HA THR 39 6.250% * 0.0139% (0.15 1.0 1.00 0.02 0.19) = 0.014% QB LYS+ 106 - HA THR 39 6.250% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 1252 (0.98, 4.28, 62.30 ppm): 14 chemical-shift based assignments, quality = 0.855, support = 5.93, residual support = 117.0: * O T QG2 ILE 103 - HA ILE 103 7.143% * 81.2978% (1.00 10.0 10.00 6.31 123.24) = 81.298% kept T QD1 ILE 103 - HA ILE 103 7.143% * 13.3714% (0.16 1.0 10.00 5.36 123.24) = 13.371% kept QD2 LEU 40 - HA THR 39 7.143% * 2.4291% (0.20 1.0 1.00 2.92 15.54) = 2.429% kept QD2 LEU 40 - HA ILE 103 7.143% * 1.6482% (0.92 1.0 1.00 0.44 0.02) = 1.648% kept T QD1 ILE 103 - HA THR 39 7.143% * 0.8426% (0.04 1.0 10.00 0.57 0.02) = 0.843% T QG2 ILE 103 - HA THR 39 7.143% * 0.1800% (0.22 1.0 10.00 0.02 0.02) = 0.180% HG3 LYS+ 74 - HA ILE 103 7.143% * 0.0777% (0.96 1.0 1.00 0.02 0.02) = 0.078% QD1 LEU 67 - HA ILE 103 7.143% * 0.0777% (0.96 1.0 1.00 0.02 0.02) = 0.078% QD2 LEU 71 - HA ILE 103 7.143% * 0.0226% (0.28 1.0 1.00 0.02 0.02) = 0.023% HG3 LYS+ 74 - HA THR 39 7.143% * 0.0172% (0.21 1.0 1.00 0.02 0.02) = 0.017% QD1 LEU 67 - HA THR 39 7.143% * 0.0172% (0.21 1.0 1.00 0.02 0.02) = 0.017% HB VAL 75 - HA ILE 103 7.143% * 0.0110% (0.14 1.0 1.00 0.02 0.02) = 0.011% QD2 LEU 71 - HA THR 39 7.143% * 0.0050% (0.06 1.0 1.00 0.02 0.02) = 0.005% HB VAL 75 - HA THR 39 7.143% * 0.0024% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1253 (0.96, 4.28, 62.30 ppm): 6 chemical-shift based assignments, quality = 0.795, support = 5.07, residual support = 115.7: * T QD1 ILE 103 - HA ILE 103 16.667% * 93.8573% (0.84 10.00 5.36 123.24) = 93.857% kept T QD1 ILE 103 - HA THR 39 16.667% * 5.9146% (0.18 10.00 0.57 0.02) = 5.915% kept QG2 ILE 119 - HA ILE 103 16.667% * 0.1118% (1.00 1.00 0.02 0.02) = 0.112% QD2 LEU 71 - HA ILE 103 16.667% * 0.0749% (0.67 1.00 0.02 0.02) = 0.075% QG2 ILE 119 - HA THR 39 16.667% * 0.0248% (0.22 1.00 0.02 0.02) = 0.025% QD2 LEU 71 - HA THR 39 16.667% * 0.0166% (0.15 1.00 0.02 0.02) = 0.017% Peak 1254 (4.28, 1.86, 38.31 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 4.33, residual support = 122.1: * O T HA ILE 103 - HB ILE 103 12.500% * 99.0660% (1.00 10.0 10.00 4.37 123.24) = 99.066% kept T HA THR 39 - HB ILE 103 12.500% * 0.4822% (0.49 1.0 10.00 0.02 0.02) = 0.482% HA SER 85 - HB ILE 103 12.500% * 0.0947% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB THR 77 - HB ILE 103 12.500% * 0.0947% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ASP- 44 - HB ILE 103 12.500% * 0.0874% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA MET 11 - HB ILE 103 12.500% * 0.0827% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA GLU- 79 - HB ILE 103 12.500% * 0.0601% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA1 GLY 51 - HB ILE 103 12.500% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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): 7 chemical-shift based assignments, quality = 0.874, support = 4.56, residual support = 122.1: * O T QG2 ILE 103 - HB ILE 103 14.286% * 85.1157% (1.00 10.0 10.00 4.55 123.24) = 85.116% kept O T QD1 ILE 103 - HB ILE 103 14.286% * 13.9994% (0.16 10.0 10.00 4.90 123.24) = 13.999% kept QD2 LEU 40 - HB ILE 103 14.286% * 0.6870% (0.92 1.0 1.00 0.17 0.02) = 0.687% HG3 LYS+ 74 - HB ILE 103 14.286% * 0.0814% (0.96 1.0 1.00 0.02 0.02) = 0.081% QD1 LEU 67 - HB ILE 103 14.286% * 0.0814% (0.96 1.0 1.00 0.02 0.02) = 0.081% QD2 LEU 71 - HB ILE 103 14.286% * 0.0237% (0.28 1.0 1.00 0.02 0.02) = 0.024% HB VAL 75 - HB ILE 103 14.286% * 0.0115% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 1257 (0.96, 1.86, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 4.89, residual support = 123.0: * O T QD1 ILE 103 - HB ILE 103 33.333% * 99.8014% (0.84 10.0 10.00 4.90 123.24) = 99.801% kept QG2 ILE 119 - HB ILE 103 33.333% * 0.1189% (1.00 1.0 1.00 0.02 0.02) = 0.119% QD2 LEU 71 - HB ILE 103 33.333% * 0.0797% (0.67 1.0 1.00 0.02 0.02) = 0.080% Peak 1258 (4.28, 0.98, 18.17 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 6.25, residual support = 122.1: * O T HA ILE 103 - QG2 ILE 103 12.500% * 99.0660% (1.00 10.0 10.00 6.31 123.24) = 99.066% kept T HA THR 39 - QG2 ILE 103 12.500% * 0.4822% (0.49 1.0 10.00 0.02 0.02) = 0.482% HA SER 85 - QG2 ILE 103 12.500% * 0.0947% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB THR 77 - QG2 ILE 103 12.500% * 0.0947% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA ASP- 44 - QG2 ILE 103 12.500% * 0.0874% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA MET 11 - QG2 ILE 103 12.500% * 0.0827% (0.84 1.0 1.00 0.02 0.02) = 0.083% HA GLU- 79 - QG2 ILE 103 12.500% * 0.0601% (0.61 1.0 1.00 0.02 0.02) = 0.060% HA1 GLY 51 - QG2 ILE 103 12.500% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 1259 (1.86, 0.98, 18.17 ppm): 8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 120.7: * O T HB ILE 103 - QG2 ILE 103 12.500% * 97.9443% (1.00 10.0 10.00 4.55 123.24) = 97.944% kept HB3 ASP- 105 - QG2 ILE 103 12.500% * 1.1385% (0.98 1.0 1.00 0.24 0.37) = 1.138% kept QB LYS+ 106 - QG2 ILE 103 12.500% * 0.4939% (0.61 1.0 1.00 0.17 0.02) = 0.494% HG3 PRO 68 - QG2 ILE 103 12.500% * 0.0975% (1.00 1.0 1.00 0.02 0.02) = 0.097% HG2 ARG+ 54 - QG2 ILE 103 12.500% * 0.0975% (1.00 1.0 1.00 0.02 0.02) = 0.097% QB LYS+ 33 - QG2 ILE 103 12.500% * 0.0864% (0.88 1.0 1.00 0.02 0.02) = 0.086% HB3 GLN 90 - QG2 ILE 103 12.500% * 0.0767% (0.78 1.0 1.00 0.02 0.54) = 0.077% QB LYS+ 81 - QG2 ILE 103 12.500% * 0.0653% (0.67 1.0 1.00 0.02 0.02) = 0.065% 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): 3 chemical-shift based assignments, quality = 0.832, support = 5.48, residual support = 120.0: * T QD1 ILE 103 - QG2 ILE 103 33.333% * 97.3475% (0.84 10.00 5.63 123.24) = 97.348% kept QG2 ILE 119 - QG2 ILE 103 33.333% * 1.8751% (1.00 1.00 0.32 0.02) = 1.875% kept T QD2 LEU 71 - QG2 ILE 103 33.333% * 0.7773% (0.67 10.00 0.02 0.02) = 0.777% Peak 1262 (4.28, 0.96, 13.94 ppm): 8 chemical-shift based assignments, quality = 0.78, support = 4.76, residual support = 107.8: * T HA ILE 103 - QD1 ILE 103 12.500% * 87.4840% (0.84 10.00 5.36 123.24) = 87.484% kept T HA THR 39 - QD1 ILE 103 12.500% * 12.1170% (0.41 10.00 0.57 0.02) = 12.117% kept HA SER 85 - QD1 ILE 103 12.500% * 0.0836% (0.80 1.00 0.02 0.02) = 0.084% HB THR 77 - QD1 ILE 103 12.500% * 0.0836% (0.80 1.00 0.02 0.02) = 0.084% HA ASP- 44 - QD1 ILE 103 12.500% * 0.0772% (0.74 1.00 0.02 0.02) = 0.077% HA MET 11 - QD1 ILE 103 12.500% * 0.0731% (0.70 1.00 0.02 0.02) = 0.073% HA GLU- 79 - QD1 ILE 103 12.500% * 0.0531% (0.51 1.00 0.02 0.02) = 0.053% HA1 GLY 51 - QD1 ILE 103 12.500% * 0.0284% (0.27 1.00 0.02 0.02) = 0.028% Peak 1263 (1.86, 0.96, 13.94 ppm): 8 chemical-shift based assignments, quality = 0.82, support = 4.75, residual support = 119.3: * O T HB ILE 103 - QD1 ILE 103 12.500% * 96.8326% (0.84 10.0 10.00 4.90 123.24) = 96.833% kept HB3 GLN 90 - QD1 ILE 103 12.500% * 1.6699% (0.65 1.0 1.00 0.44 0.54) = 1.670% kept HG3 PRO 68 - QD1 ILE 103 12.500% * 0.6678% (0.83 1.0 1.00 0.14 0.02) = 0.668% QB LYS+ 106 - QD1 ILE 103 12.500% * 0.4883% (0.51 1.0 1.00 0.17 0.02) = 0.488% HG2 ARG+ 54 - QD1 ILE 103 12.500% * 0.0963% (0.83 1.0 1.00 0.02 0.02) = 0.096% HB3 ASP- 105 - QD1 ILE 103 12.500% * 0.0949% (0.82 1.0 1.00 0.02 0.37) = 0.095% QB LYS+ 33 - QD1 ILE 103 12.500% * 0.0855% (0.74 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 81 - QD1 ILE 103 12.500% * 0.0646% (0.56 1.0 1.00 0.02 0.02) = 0.065% Peak 1264 (0.98, 0.96, 13.94 ppm): 1 diagonal assignment: QD1 ILE 103 - QD1 ILE 103 (0.14) 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 (0.70) 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 = 0.716, support = 6.13, residual support = 172.8: * O T HB2 LEU 104 - HA LEU 104 25.000% * 98.6748% (0.72 10.0 10.00 6.20 175.07) = 98.675% kept QD1 ILE 119 - HA LEU 104 25.000% * 1.1677% (0.28 1.0 1.00 0.62 1.84) = 1.168% kept QG2 VAL 108 - HA LEU 104 25.000% * 0.1254% (0.92 1.0 1.00 0.02 0.02) = 0.125% HG3 LYS+ 112 - HA LEU 104 25.000% * 0.0320% (0.23 1.0 1.00 0.02 0.02) = 0.032% Peak 1268 (0.86, 4.32, 55.17 ppm): 5 chemical-shift based assignments, quality = 0.54, support = 5.22, residual support = 173.9: * O T HB3 LEU 104 - HA LEU 104 20.000% * 99.3331% (0.54 10.0 10.00 5.25 175.07) = 99.333% kept QD1 LEU 123 - HA LEU 104 20.000% * 0.1783% (0.98 1.0 1.00 0.02 0.02) = 0.178% QD1 LEU 71 - HA LEU 104 20.000% * 0.1783% (0.98 1.0 1.00 0.02 0.02) = 0.178% QG1 VAL 70 - HA LEU 104 20.000% * 0.1679% (0.92 1.0 1.00 0.02 0.02) = 0.168% QG1 VAL 18 - HA LEU 104 20.000% * 0.1424% (0.78 1.0 1.00 0.02 0.02) = 0.142% Peak 1269 (1.53, 4.32, 55.17 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 5.62, residual support = 172.7: * O T HG LEU 104 - HA LEU 104 20.000% * 98.6445% (1.00 10.0 10.00 5.70 175.07) = 98.645% kept HD3 LYS+ 74 - HA LEU 104 20.000% * 1.1202% (0.92 1.0 1.00 0.25 0.02) = 1.120% kept HB3 LYS+ 121 - HA LEU 104 20.000% * 0.0986% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - HA LEU 104 20.000% * 0.0943% (0.95 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 66 - HA LEU 104 20.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 1270 (0.60, 4.32, 55.17 ppm): 4 chemical-shift based assignments, quality = 0.917, support = 4.9, residual support = 174.7: * T QD1 LEU 104 - HA LEU 104 25.000% * 99.7969% (0.92 10.00 4.91 175.07) = 99.797% kept QG1 VAL 83 - HA LEU 104 25.000% * 0.0785% (0.72 1.00 0.02 0.02) = 0.079% QD2 LEU 80 - HA LEU 104 25.000% * 0.0656% (0.60 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HA LEU 104 25.000% * 0.0590% (0.54 1.00 0.02 0.02) = 0.059% Peak 1271 (0.73, 4.32, 55.17 ppm): 4 chemical-shift based assignments, quality = 0.987, support = 5.33, residual support = 173.7: * T QD2 LEU 104 - HA LEU 104 25.000% * 99.2076% (1.00 10.00 5.37 175.07) = 99.208% kept QD1 ILE 19 - HA LEU 104 25.000% * 0.4740% (0.92 1.00 0.10 0.02) = 0.474% T QG2 VAL 18 - HA LEU 104 25.000% * 0.2758% (0.28 10.00 0.02 0.02) = 0.276% QG2 THR 46 - HA LEU 104 25.000% * 0.0426% (0.43 1.00 0.02 0.02) = 0.043% Peak 1272 (4.32, 1.04, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.71, support = 6.1, residual support = 172.1: * O T HA LEU 104 - HB2 LEU 104 20.000% * 98.2894% (0.72 10.0 10.00 6.20 175.07) = 98.289% kept HA ASP- 86 - HB2 LEU 104 20.000% * 0.8307% (0.31 1.0 1.00 0.39 0.02) = 0.831% HA ALA 12 - HB2 LEU 104 20.000% * 0.8098% (0.27 1.0 1.00 0.44 0.02) = 0.810% HA GLU- 14 - HB2 LEU 104 20.000% * 0.0539% (0.40 1.0 1.00 0.02 0.02) = 0.054% HA TRP 87 - HB2 LEU 104 20.000% * 0.0162% (0.12 1.0 1.00 0.02 0.02) = 0.016% Peak 1273 (1.04, 1.04, 43.48 ppm): 1 diagonal assignment: * HB2 LEU 104 - HB2 LEU 104 (0.53) kept Peak 1274 (0.86, 1.04, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.394, support = 5.28, residual support = 173.9: * O T HB3 LEU 104 - HB2 LEU 104 20.000% * 99.3331% (0.40 10.0 10.00 5.31 175.07) = 99.333% kept QD1 LEU 123 - HB2 LEU 104 20.000% * 0.1783% (0.71 1.0 1.00 0.02 0.02) = 0.178% QD1 LEU 71 - HB2 LEU 104 20.000% * 0.1783% (0.71 1.0 1.00 0.02 0.02) = 0.178% QG1 VAL 70 - HB2 LEU 104 20.000% * 0.1679% (0.67 1.0 1.00 0.02 0.02) = 0.168% QG1 VAL 18 - HB2 LEU 104 20.000% * 0.1424% (0.57 1.0 1.00 0.02 0.02) = 0.142% Peak 1275 (1.53, 1.04, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.724, support = 5.39, residual support = 172.7: * O T HG LEU 104 - HB2 LEU 104 20.000% * 98.6445% (0.73 10.0 10.00 5.46 175.07) = 98.645% kept HD3 LYS+ 74 - HB2 LEU 104 20.000% * 1.1202% (0.67 1.0 1.00 0.25 0.02) = 1.120% kept HB3 LYS+ 121 - HB2 LEU 104 20.000% * 0.0986% (0.73 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - HB2 LEU 104 20.000% * 0.0943% (0.69 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 66 - HB2 LEU 104 20.000% * 0.0424% (0.31 1.0 1.00 0.02 0.02) = 0.042% Peak 1276 (0.60, 1.04, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.669, support = 4.96, residual support = 174.7: * O T QD1 LEU 104 - HB2 LEU 104 25.000% * 99.7969% (0.67 10.0 10.00 4.97 175.07) = 99.797% kept QG1 VAL 83 - HB2 LEU 104 25.000% * 0.0785% (0.53 1.0 1.00 0.02 0.02) = 0.079% QD2 LEU 80 - HB2 LEU 104 25.000% * 0.0656% (0.44 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HB2 LEU 104 25.000% * 0.0590% (0.40 1.0 1.00 0.02 0.02) = 0.059% Peak 1277 (0.73, 1.04, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.72, support = 5.4, residual support = 173.7: * O T QD2 LEU 104 - HB2 LEU 104 25.000% * 99.2076% (0.73 10.0 10.00 5.44 175.07) = 99.208% kept QD1 ILE 19 - HB2 LEU 104 25.000% * 0.4740% (0.67 1.0 1.00 0.10 0.02) = 0.474% T QG2 VAL 18 - HB2 LEU 104 25.000% * 0.2758% (0.20 1.0 10.00 0.02 0.02) = 0.276% QG2 THR 46 - HB2 LEU 104 25.000% * 0.0426% (0.31 1.0 1.00 0.02 0.02) = 0.043% Peak 1278 (4.32, 0.86, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.539, support = 5.21, residual support = 173.8: * O T HA LEU 104 - HB3 LEU 104 20.000% * 99.2817% (0.54 10.0 10.00 5.25 175.07) = 99.282% kept HA ASP- 86 - HB3 LEU 104 20.000% * 0.3887% (0.23 1.0 1.00 0.18 0.02) = 0.389% HA ALA 12 - HB3 LEU 104 20.000% * 0.2587% (0.20 1.0 1.00 0.14 0.02) = 0.259% HA GLU- 14 - HB3 LEU 104 20.000% * 0.0545% (0.30 1.0 1.00 0.02 0.02) = 0.054% HA TRP 87 - HB3 LEU 104 20.000% * 0.0164% (0.09 1.0 1.00 0.02 0.02) = 0.016% Peak 1279 (1.04, 0.86, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.393, support = 5.25, residual support = 172.7: * O T HB2 LEU 104 - HB3 LEU 104 25.000% * 98.6346% (0.40 10.0 10.00 5.31 175.07) = 98.635% kept QD1 ILE 119 - HB3 LEU 104 25.000% * 1.2080% (0.15 1.0 1.00 0.64 1.84) = 1.208% kept QG2 VAL 108 - HB3 LEU 104 25.000% * 0.1254% (0.50 1.0 1.00 0.02 0.02) = 0.125% HG3 LYS+ 112 - HB3 LEU 104 25.000% * 0.0320% (0.13 1.0 1.00 0.02 0.02) = 0.032% Peak 1280 (0.86, 0.86, 43.48 ppm): 1 diagonal assignment: * HB3 LEU 104 - HB3 LEU 104 (0.30) kept Peak 1281 (1.53, 0.86, 43.48 ppm): 5 chemical-shift based assignments, quality = 0.545, support = 4.94, residual support = 167.3: * O T HG LEU 104 - HB3 LEU 104 20.000% * 95.5563% (0.55 10.0 10.00 5.15 175.07) = 95.556% kept HB3 LYS+ 121 - HB3 LEU 104 20.000% * 3.2262% (0.55 1.0 1.00 0.68 0.02) = 3.226% kept HD3 LYS+ 74 - HB3 LEU 104 20.000% * 1.0851% (0.50 1.0 1.00 0.25 0.02) = 1.085% kept HB3 LYS+ 111 - HB3 LEU 104 20.000% * 0.0914% (0.52 1.0 1.00 0.02 0.02) = 0.091% QD LYS+ 66 - HB3 LEU 104 20.000% * 0.0410% (0.23 1.0 1.00 0.02 0.02) = 0.041% Peak 1282 (0.60, 0.86, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.503, support = 4.64, residual support = 174.7: * O T QD1 LEU 104 - HB3 LEU 104 25.000% * 99.7969% (0.50 10.0 10.00 4.65 175.07) = 99.797% kept QG1 VAL 83 - HB3 LEU 104 25.000% * 0.0785% (0.40 1.0 1.00 0.02 0.02) = 0.079% QD2 LEU 80 - HB3 LEU 104 25.000% * 0.0656% (0.33 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HB3 LEU 104 25.000% * 0.0590% (0.30 1.0 1.00 0.02 0.02) = 0.059% Peak 1283 (0.73, 0.86, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.542, support = 5.08, residual support = 173.7: * O T QD2 LEU 104 - HB3 LEU 104 25.000% * 99.2076% (0.55 10.0 10.00 5.12 175.07) = 99.208% kept QD1 ILE 19 - HB3 LEU 104 25.000% * 0.4740% (0.50 1.0 1.00 0.10 0.02) = 0.474% T QG2 VAL 18 - HB3 LEU 104 25.000% * 0.2758% (0.15 1.0 10.00 0.02 0.02) = 0.276% QG2 THR 46 - HB3 LEU 104 25.000% * 0.0426% (0.23 1.0 1.00 0.02 0.02) = 0.043% Peak 1284 (4.32, 1.53, 26.82 ppm): 5 chemical-shift based assignments, quality = 0.986, support = 5.64, residual support = 173.4: * O T HA LEU 104 - HG LEU 104 20.000% * 99.0660% (1.00 10.0 10.00 5.70 175.07) = 99.066% kept HA ASP- 86 - HG LEU 104 20.000% * 0.4848% (0.43 1.0 1.00 0.23 0.02) = 0.485% HA ALA 12 - HG LEU 104 20.000% * 0.3785% (0.38 1.0 1.00 0.20 0.02) = 0.378% HA GLU- 14 - HG LEU 104 20.000% * 0.0544% (0.55 1.0 1.00 0.02 0.02) = 0.054% HA TRP 87 - HG LEU 104 20.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1285 (1.04, 1.53, 26.82 ppm): 4 chemical-shift based assignments, quality = 0.72, support = 5.4, residual support = 172.7: * O T HB2 LEU 104 - HG LEU 104 25.000% * 98.6375% (0.73 10.0 10.00 5.46 175.07) = 98.638% kept QD1 ILE 119 - HG LEU 104 25.000% * 1.2051% (0.28 1.0 1.00 0.64 1.84) = 1.205% kept QG2 VAL 108 - HG LEU 104 25.000% * 0.1254% (0.92 1.0 1.00 0.02 0.02) = 0.125% HG3 LYS+ 112 - HG LEU 104 25.000% * 0.0320% (0.24 1.0 1.00 0.02 0.02) = 0.032% Peak 1286 (0.86, 1.53, 26.82 ppm): 5 chemical-shift based assignments, quality = 0.557, support = 4.97, residual support = 168.8: * O T HB3 LEU 104 - HG LEU 104 20.000% * 96.4313% (0.55 10.0 10.00 5.15 175.07) = 96.431% kept QD1 LEU 123 - HG LEU 104 20.000% * 3.0944% (0.98 1.0 1.00 0.36 0.02) = 3.094% kept QD1 LEU 71 - HG LEU 104 20.000% * 0.1731% (0.98 1.0 1.00 0.02 0.02) = 0.173% QG1 VAL 70 - HG LEU 104 20.000% * 0.1630% (0.92 1.0 1.00 0.02 0.02) = 0.163% QG1 VAL 18 - HG LEU 104 20.000% * 0.1382% (0.78 1.0 1.00 0.02 0.02) = 0.138% 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): 4 chemical-shift based assignments, quality = 0.921, support = 4.87, residual support = 174.7: * O T QD1 LEU 104 - HG LEU 104 25.000% * 99.7969% (0.92 10.0 10.00 4.88 175.07) = 99.797% kept QG1 VAL 83 - HG LEU 104 25.000% * 0.0785% (0.73 1.0 1.00 0.02 0.02) = 0.079% QD2 LEU 80 - HG LEU 104 25.000% * 0.0656% (0.61 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - HG LEU 104 25.000% * 0.0590% (0.55 1.0 1.00 0.02 0.02) = 0.059% Peak 1289 (0.73, 1.53, 26.82 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.34, residual support = 173.7: * O T QD2 LEU 104 - HG LEU 104 25.000% * 99.2076% (1.00 10.0 10.00 5.38 175.07) = 99.208% kept QD1 ILE 19 - HG LEU 104 25.000% * 0.4740% (0.92 1.0 1.00 0.10 0.02) = 0.474% T QG2 VAL 18 - HG LEU 104 25.000% * 0.2758% (0.28 1.0 10.00 0.02 0.02) = 0.276% QG2 THR 46 - HG LEU 104 25.000% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 1290 (4.32, 0.60, 26.08 ppm): 5 chemical-shift based assignments, quality = 0.912, support = 4.88, residual support = 173.8: * T HA LEU 104 - QD1 LEU 104 20.000% * 99.2817% (0.92 10.00 4.91 175.07) = 99.282% kept HA ASP- 86 - QD1 LEU 104 20.000% * 0.3887% (0.40 1.00 0.18 0.02) = 0.389% HA ALA 12 - QD1 LEU 104 20.000% * 0.2587% (0.35 1.00 0.14 0.02) = 0.259% HA GLU- 14 - QD1 LEU 104 20.000% * 0.0545% (0.50 1.00 0.02 0.02) = 0.054% HA TRP 87 - QD1 LEU 104 20.000% * 0.0164% (0.15 1.00 0.02 0.02) = 0.016% Peak 1291 (1.04, 0.60, 26.08 ppm): 4 chemical-shift based assignments, quality = 0.587, support = 4.23, residual support = 140.1: * O T HB2 LEU 104 - QD1 LEU 104 25.000% * 79.8163% (0.67 10.0 10.00 4.97 175.07) = 79.816% kept T QD1 ILE 119 - QD1 LEU 104 25.000% * 20.0563% (0.26 1.0 10.00 1.31 1.84) = 20.056% kept QG2 VAL 108 - QD1 LEU 104 25.000% * 0.1015% (0.85 1.0 1.00 0.02 0.02) = 0.101% HG3 LYS+ 112 - QD1 LEU 104 25.000% * 0.0259% (0.22 1.0 1.00 0.02 0.02) = 0.026% Peak 1292 (0.86, 0.60, 26.08 ppm): 5 chemical-shift based assignments, quality = 0.508, support = 4.56, residual support = 171.5: * O T HB3 LEU 104 - QD1 LEU 104 20.000% * 97.9375% (0.50 10.0 10.00 4.65 175.07) = 97.937% kept QD1 LEU 71 - QD1 LEU 104 20.000% * 1.5808% (0.90 1.0 1.00 0.18 0.02) = 1.581% kept QD1 LEU 123 - QD1 LEU 104 20.000% * 0.1758% (0.90 1.0 1.00 0.02 0.02) = 0.176% QG1 VAL 70 - QD1 LEU 104 20.000% * 0.1656% (0.85 1.0 1.00 0.02 0.02) = 0.166% QG1 VAL 18 - QD1 LEU 104 20.000% * 0.1404% (0.72 1.0 1.00 0.02 0.02) = 0.140% Peak 1293 (1.53, 0.60, 26.08 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 4.79, residual support = 171.4: * O T HG LEU 104 - QD1 LEU 104 20.000% * 97.8940% (0.92 10.0 10.00 4.88 175.07) = 97.894% kept HD3 LYS+ 74 - QD1 LEU 104 20.000% * 1.8725% (0.85 1.0 1.00 0.41 0.02) = 1.872% kept HB3 LYS+ 121 - QD1 LEU 104 20.000% * 0.0979% (0.92 1.0 1.00 0.02 0.02) = 0.098% HB3 LYS+ 111 - QD1 LEU 104 20.000% * 0.0936% (0.88 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 66 - QD1 LEU 104 20.000% * 0.0421% (0.40 1.0 1.00 0.02 0.02) = 0.042% Peak 1294 (0.60, 0.60, 26.08 ppm): 1 diagonal assignment: * QD1 LEU 104 - QD1 LEU 104 (0.85) kept Peak 1295 (0.73, 0.60, 26.08 ppm): 4 chemical-shift based assignments, quality = 0.916, support = 4.79, residual support = 173.7: * O T QD2 LEU 104 - QD1 LEU 104 25.000% * 99.2076% (0.92 10.0 10.00 4.83 175.07) = 99.208% kept QD1 ILE 19 - QD1 LEU 104 25.000% * 0.4740% (0.85 1.0 1.00 0.10 0.02) = 0.474% T QG2 VAL 18 - QD1 LEU 104 25.000% * 0.2758% (0.26 1.0 10.00 0.02 0.02) = 0.276% QG2 THR 46 - QD1 LEU 104 25.000% * 0.0426% (0.40 1.0 1.00 0.02 0.02) = 0.043% Peak 1296 (4.32, 0.73, 22.45 ppm): 10 chemical-shift based assignments, quality = 0.987, support = 5.33, residual support = 173.7: * T HA LEU 104 - QD2 LEU 104 10.000% * 99.1961% (1.00 10.00 5.37 175.07) = 99.196% kept HA ASP- 86 - QD2 LEU 104 10.000% * 0.3884% (0.43 1.00 0.18 0.02) = 0.388% HA ALA 12 - QD2 LEU 104 10.000% * 0.2584% (0.38 1.00 0.14 0.02) = 0.258% T HA LEU 104 - QG2 VAL 18 10.000% * 0.0749% (0.08 10.00 0.02 0.02) = 0.075% HA GLU- 14 - QD2 LEU 104 10.000% * 0.0544% (0.55 1.00 0.02 0.02) = 0.054% HA TRP 87 - QD2 LEU 104 10.000% * 0.0164% (0.16 1.00 0.02 0.02) = 0.016% HA GLU- 14 - QG2 VAL 18 10.000% * 0.0041% (0.04 1.00 0.02 0.02) = 0.004% HA ASP- 86 - QG2 VAL 18 10.000% * 0.0032% (0.03 1.00 0.02 0.02) = 0.003% HA ALA 12 - QG2 VAL 18 10.000% * 0.0028% (0.03 1.00 0.02 0.02) = 0.003% HA TRP 87 - QG2 VAL 18 10.000% * 0.0012% (0.01 1.00 0.02 0.02) = 0.001% Peak 1297 (1.04, 0.73, 22.45 ppm): 8 chemical-shift based assignments, quality = 0.719, support = 5.37, residual support = 172.6: * O T HB2 LEU 104 - QD2 LEU 104 12.500% * 98.5608% (0.73 10.0 10.00 5.44 175.07) = 98.561% kept QD1 ILE 119 - QD2 LEU 104 12.500% * 1.1929% (0.28 1.0 1.00 0.63 1.84) = 1.193% kept QG2 VAL 108 - QD2 LEU 104 12.500% * 0.1253% (0.92 1.0 1.00 0.02 0.02) = 0.125% T HB2 LEU 104 - QG2 VAL 18 12.500% * 0.0744% (0.05 1.0 10.00 0.02 0.02) = 0.074% HG3 LYS+ 112 - QD2 LEU 104 12.500% * 0.0320% (0.24 1.0 1.00 0.02 0.02) = 0.032% QG2 VAL 108 - QG2 VAL 18 12.500% * 0.0095% (0.07 1.0 1.00 0.02 0.02) = 0.009% QD1 ILE 119 - QG2 VAL 18 12.500% * 0.0028% (0.02 1.0 1.00 0.02 0.02) = 0.003% HG3 LYS+ 112 - QG2 VAL 18 12.500% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1298 (0.86, 0.73, 22.45 ppm): 10 chemical-shift based assignments, quality = 0.499, support = 4.9, residual support = 161.1: * O T HB3 LEU 104 - QD2 LEU 104 10.000% * 88.5794% (0.55 10.0 10.00 5.12 175.07) = 88.579% kept O T QG1 VAL 18 - QG2 VAL 18 10.000% * 9.5811% (0.06 10.0 10.00 3.79 62.50) = 9.581% kept T QG1 VAL 18 - QD2 LEU 104 10.000% * 1.2696% (0.78 1.0 10.00 0.02 0.02) = 1.270% kept QD1 LEU 71 - QD2 LEU 104 10.000% * 0.1590% (0.98 1.0 1.00 0.02 0.02) = 0.159% QD1 LEU 123 - QD2 LEU 104 10.000% * 0.1590% (0.98 1.0 1.00 0.02 0.02) = 0.159% QG1 VAL 70 - QD2 LEU 104 10.000% * 0.1497% (0.92 1.0 1.00 0.02 0.02) = 0.150% T HB3 LEU 104 - QG2 VAL 18 10.000% * 0.0668% (0.04 1.0 10.00 0.02 0.02) = 0.067% QD1 LEU 123 - QG2 VAL 18 10.000% * 0.0120% (0.07 1.0 1.00 0.02 0.02) = 0.012% QD1 LEU 71 - QG2 VAL 18 10.000% * 0.0120% (0.07 1.0 1.00 0.02 0.02) = 0.012% QG1 VAL 70 - QG2 VAL 18 10.000% * 0.0113% (0.07 1.0 1.00 0.02 2.03) = 0.011% Peak 1299 (1.53, 0.73, 22.45 ppm): 10 chemical-shift based assignments, quality = 0.987, support = 5.31, residual support = 172.8: * O T HG LEU 104 - QD2 LEU 104 10.000% * 98.7159% (1.00 10.0 10.00 5.38 175.07) = 98.716% kept HD3 LYS+ 74 - QD2 LEU 104 10.000% * 0.9495% (0.92 1.0 1.00 0.21 0.02) = 0.949% HB3 LYS+ 121 - QD2 LEU 104 10.000% * 0.0987% (1.00 1.0 1.00 0.02 0.02) = 0.099% HB3 LYS+ 111 - QD2 LEU 104 10.000% * 0.0944% (0.96 1.0 1.00 0.02 0.02) = 0.094% T HG LEU 104 - QG2 VAL 18 10.000% * 0.0745% (0.08 1.0 10.00 0.02 0.02) = 0.074% QD LYS+ 66 - QD2 LEU 104 10.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB3 LYS+ 121 - QG2 VAL 18 10.000% * 0.0074% (0.08 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 111 - QG2 VAL 18 10.000% * 0.0071% (0.07 1.0 1.00 0.02 0.02) = 0.007% HD3 LYS+ 74 - QG2 VAL 18 10.000% * 0.0069% (0.07 1.0 1.00 0.02 0.02) = 0.007% QD LYS+ 66 - QG2 VAL 18 10.000% * 0.0032% (0.03 1.0 1.00 0.02 0.55) = 0.003% Peak 1300 (0.60, 0.73, 22.45 ppm): 8 chemical-shift based assignments, quality = 0.92, support = 4.81, residual support = 174.6: * O T QD1 LEU 104 - QD2 LEU 104 12.500% * 99.7065% (0.92 10.0 10.00 4.83 175.07) = 99.707% kept QG1 VAL 83 - QD2 LEU 104 12.500% * 0.0784% (0.73 1.0 1.00 0.02 0.02) = 0.078% T QD1 LEU 104 - QG2 VAL 18 12.500% * 0.0752% (0.07 1.0 10.00 0.02 0.02) = 0.075% QD2 LEU 80 - QD2 LEU 104 12.500% * 0.0655% (0.61 1.0 1.00 0.02 0.02) = 0.066% QD2 LEU 115 - QD2 LEU 104 12.500% * 0.0590% (0.55 1.0 1.00 0.02 0.02) = 0.059% QG1 VAL 83 - QG2 VAL 18 12.500% * 0.0059% (0.05 1.0 1.00 0.02 0.02) = 0.006% QD2 LEU 80 - QG2 VAL 18 12.500% * 0.0049% (0.05 1.0 1.00 0.02 0.02) = 0.005% QD2 LEU 115 - QG2 VAL 18 12.500% * 0.0045% (0.04 1.0 1.00 0.02 0.02) = 0.004% 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 (0.02) 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 = 0.88, support = 3.16, residual support = 31.9: * O T HB2 ASP- 105 - HA ASP- 105 16.667% * 99.6839% (0.88 10.0 10.00 3.17 31.96) = 99.684% kept HB3 ASP- 76 - HA ASP- 105 16.667% * 0.1124% (1.00 1.0 1.00 0.02 0.02) = 0.112% HG2 GLU- 100 - HA ASP- 105 16.667% * 0.1080% (0.96 1.0 1.00 0.02 0.02) = 0.108% HB2 MET 96 - HA ASP- 105 16.667% * 0.0367% (0.32 1.0 1.00 0.02 0.02) = 0.037% HG3 MET 92 - HA ASP- 105 16.667% * 0.0367% (0.32 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 29 - HA ASP- 105 16.667% * 0.0224% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 1304 (4.80, 2.23, 47.73 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 3.17, residual support = 31.9: * O T HA ASP- 105 - HB2 ASP- 105 33.333% * 99.8673% (0.88 10.0 10.00 3.17 31.96) = 99.867% kept HB THR 23 - HB2 ASP- 105 33.333% * 0.0782% (0.69 1.0 1.00 0.02 0.02) = 0.078% HA LEU 80 - HB2 ASP- 105 33.333% * 0.0545% (0.48 1.0 1.00 0.02 0.02) = 0.055% Peak 1305 (2.23, 2.23, 47.73 ppm): 1 diagonal assignment: * HB2 ASP- 105 - HB2 ASP- 105 (0.78) 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): 10 chemical-shift based assignments, quality = 0.962, support = 5.94, residual support = 90.2: * O T QB LYS+ 106 - HA LYS+ 106 10.000% * 87.5606% (1.00 10.0 10.00 6.27 101.04) = 87.561% kept HB3 ASP- 105 - HA LYS+ 106 10.000% * 11.9557% (0.73 1.0 1.00 3.76 14.16) = 11.956% kept QB LYS+ 81 - HA LYS+ 106 10.000% * 0.0871% (1.00 1.0 1.00 0.02 0.02) = 0.087% HB3 GLN 90 - HA LYS+ 106 10.000% * 0.0837% (0.96 1.0 1.00 0.02 0.02) = 0.084% QB LYS+ 33 - HA LYS+ 106 10.000% * 0.0773% (0.88 1.0 1.00 0.02 0.34) = 0.077% HG2 ARG+ 54 - HA LYS+ 106 10.000% * 0.0584% (0.67 1.0 1.00 0.02 0.02) = 0.058% HB ILE 103 - HA LYS+ 106 10.000% * 0.0531% (0.61 1.0 1.00 0.02 0.02) = 0.053% HB ILE 56 - HA LYS+ 106 10.000% * 0.0478% (0.55 1.0 1.00 0.02 0.02) = 0.048% HG3 PRO 68 - HA LYS+ 106 10.000% * 0.0478% (0.55 1.0 1.00 0.02 0.02) = 0.048% HB3 LYS+ 38 - HA LYS+ 106 10.000% * 0.0284% (0.32 1.0 1.00 0.02 0.02) = 0.028% Peak 1309 (1.56, 5.63, 56.31 ppm): 3 chemical-shift based assignments, quality = 0.975, support = 4.86, residual support = 96.7: * O T HG2 LYS+ 106 - HA LYS+ 106 33.333% * 95.6449% (1.00 10.0 10.00 5.08 101.04) = 95.645% kept T HG2 LYS+ 33 - HA LYS+ 106 33.333% * 3.4176% (0.55 1.0 10.00 0.13 0.34) = 3.418% kept T QG LYS+ 81 - HA LYS+ 106 33.333% * 0.9375% (0.98 1.0 10.00 0.02 0.02) = 0.938% Peak 1310 (1.70, 5.63, 56.31 ppm): 7 chemical-shift based assignments, quality = 0.985, support = 3.72, residual support = 96.9: * T QD LYS+ 106 - HA LYS+ 106 14.286% * 95.7341% (1.00 10.00 3.86 101.04) = 95.734% kept HB2 LEU 73 - HA LYS+ 106 14.286% * 3.1682% (0.88 1.00 0.75 5.68) = 3.168% kept T QD LYS+ 99 - HA LYS+ 106 14.286% * 0.9526% (1.00 10.00 0.02 0.02) = 0.953% HB3 MET 92 - HA LYS+ 106 14.286% * 0.0639% (0.67 1.00 0.02 0.02) = 0.064% HD2 LYS+ 111 - HA LYS+ 106 14.286% * 0.0466% (0.49 1.00 0.02 0.02) = 0.047% QG1 ILE 56 - HA LYS+ 106 14.286% * 0.0189% (0.20 1.00 0.02 0.02) = 0.019% HB2 LEU 123 - HA LYS+ 106 14.286% * 0.0157% (0.16 1.00 0.02 0.02) = 0.016% Peak 1311 (2.98, 5.63, 56.31 ppm): 4 chemical-shift based assignments, quality = 0.962, support = 4.16, residual support = 94.3: * T QE LYS+ 106 - HA LYS+ 106 25.000% * 92.7586% (1.00 10.00 4.24 101.04) = 92.759% kept HB2 PHE 97 - HA LYS+ 106 25.000% * 7.1197% (0.49 1.00 3.15 8.02) = 7.120% kept HB3 PHE 60 - HA LYS+ 106 25.000% * 0.0819% (0.88 1.00 0.02 0.02) = 0.082% HB3 TRP 27 - HA LYS+ 106 25.000% * 0.0398% (0.43 1.00 0.02 0.02) = 0.040% Peak 1312 (5.63, 1.87, 37.27 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 6.27, residual support = 101.0: * O T HA LYS+ 106 - QB LYS+ 106 100.000% *100.0000% (1.00 10.0 10.00 6.27 101.04) = 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 = 0.975, support = 4.99, residual support = 96.7: * O T HG2 LYS+ 106 - QB LYS+ 106 33.333% * 95.6449% (1.00 10.0 10.00 5.21 101.04) = 95.645% kept T HG2 LYS+ 33 - QB LYS+ 106 33.333% * 3.4176% (0.55 1.0 10.00 0.13 0.34) = 3.418% kept T QG LYS+ 81 - QB LYS+ 106 33.333% * 0.9375% (0.98 1.0 10.00 0.02 0.02) = 0.938% Peak 1316 (1.70, 1.87, 37.27 ppm): 7 chemical-shift based assignments, quality = 0.982, support = 4.73, residual support = 96.6: * O T QD LYS+ 106 - QB LYS+ 106 14.286% * 95.4361% (1.00 10.0 10.00 4.93 101.04) = 95.436% kept HB2 LEU 73 - QB LYS+ 106 14.286% * 3.1583% (0.88 1.0 1.00 0.75 5.68) = 3.158% kept T QD LYS+ 99 - QB LYS+ 106 14.286% * 0.9496% (1.00 1.0 10.00 0.02 0.02) = 0.950% T QG1 ILE 56 - QB LYS+ 106 14.286% * 0.1889% (0.20 1.0 10.00 0.02 0.02) = 0.189% T HB2 LEU 123 - QB LYS+ 106 14.286% * 0.1570% (0.16 1.0 10.00 0.02 0.02) = 0.157% HB3 MET 92 - QB LYS+ 106 14.286% * 0.0637% (0.67 1.0 1.00 0.02 0.02) = 0.064% HD2 LYS+ 111 - QB LYS+ 106 14.286% * 0.0465% (0.49 1.0 1.00 0.02 0.02) = 0.046% Peak 1317 (2.98, 1.87, 37.27 ppm): 4 chemical-shift based assignments, quality = 0.838, support = 4.24, residual support = 71.7: * T QE LYS+ 106 - QB LYS+ 106 25.000% * 68.4844% (1.00 10.00 5.33 101.04) = 68.484% kept T HB2 PHE 97 - QB LYS+ 106 25.000% * 31.4258% (0.49 10.00 1.89 8.02) = 31.426% kept HB3 PHE 60 - QB LYS+ 106 25.000% * 0.0604% (0.88 1.00 0.02 0.02) = 0.060% HB3 TRP 27 - QB LYS+ 106 25.000% * 0.0294% (0.43 1.00 0.02 0.02) = 0.029% Peak 1324 (5.63, 1.56, 25.37 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 5.04, residual support = 100.4: * O T HA LYS+ 106 - HG2 LYS+ 106 33.333% * 99.3533% (1.00 10.0 10.00 5.08 101.04) = 99.353% kept T HA LYS+ 106 - HG2 LYS+ 33 33.333% * 0.4306% (0.43 1.0 10.00 0.02 0.34) = 0.431% T HA LYS+ 106 - QG LYS+ 81 33.333% * 0.2162% (0.22 1.0 10.00 0.02 0.02) = 0.216% Peak 1325 (1.87, 1.56, 25.37 ppm): 30 chemical-shift based assignments, quality = 0.718, support = 4.26, residual support = 76.2: * O T QB LYS+ 106 - HG2 LYS+ 106 3.333% * 47.1046% (1.00 10.0 10.00 5.21 101.04) = 47.105% kept O T QB LYS+ 33 - HG2 LYS+ 33 3.333% * 18.0144% (0.38 10.0 10.00 5.32 108.90) = 18.014% kept T QB LYS+ 33 - HG2 LYS+ 106 3.333% * 10.3422% (0.88 1.0 10.00 0.50 0.34) = 10.342% kept O T QB LYS+ 81 - QG LYS+ 81 3.333% * 10.1987% (0.22 10.0 10.00 4.54 75.96) = 10.199% kept HB3 ASP- 105 - HG2 LYS+ 106 3.333% * 6.7943% (0.73 1.0 1.00 3.97 14.16) = 6.794% kept T QB LYS+ 33 - QG LYS+ 81 3.333% * 5.1300% (0.19 1.0 10.00 1.13 4.99) = 5.130% kept T QB LYS+ 106 - HG2 LYS+ 33 3.333% * 1.3357% (0.43 1.0 10.00 0.13 0.34) = 1.336% kept T QB LYS+ 81 - HG2 LYS+ 106 3.333% * 0.4687% (1.00 1.0 10.00 0.02 0.02) = 0.469% T QB LYS+ 81 - HG2 LYS+ 33 3.333% * 0.2031% (0.43 1.0 10.00 0.02 4.99) = 0.203% T QB LYS+ 106 - QG LYS+ 81 3.333% * 0.1025% (0.22 1.0 10.00 0.02 0.02) = 0.102% HB3 GLN 90 - HG2 LYS+ 106 3.333% * 0.0450% (0.96 1.0 1.00 0.02 0.02) = 0.045% HG2 ARG+ 54 - HG2 LYS+ 106 3.333% * 0.0314% (0.67 1.0 1.00 0.02 0.02) = 0.031% HB ILE 103 - HG2 LYS+ 106 3.333% * 0.0286% (0.61 1.0 1.00 0.02 0.02) = 0.029% HG3 PRO 68 - HG2 LYS+ 106 3.333% * 0.0257% (0.55 1.0 1.00 0.02 0.02) = 0.026% HB ILE 56 - HG2 LYS+ 106 3.333% * 0.0257% (0.55 1.0 1.00 0.02 0.02) = 0.026% HB3 GLN 90 - HG2 LYS+ 33 3.333% * 0.0195% (0.41 1.0 1.00 0.02 0.02) = 0.020% HB3 LYS+ 38 - HG2 LYS+ 106 3.333% * 0.0153% (0.32 1.0 1.00 0.02 0.02) = 0.015% HB3 ASP- 105 - HG2 LYS+ 33 3.333% * 0.0148% (0.31 1.0 1.00 0.02 0.56) = 0.015% HG2 ARG+ 54 - HG2 LYS+ 33 3.333% * 0.0136% (0.29 1.0 1.00 0.02 0.67) = 0.014% HB ILE 103 - HG2 LYS+ 33 3.333% * 0.0124% (0.26 1.0 1.00 0.02 0.02) = 0.012% HG3 PRO 68 - HG2 LYS+ 33 3.333% * 0.0111% (0.24 1.0 1.00 0.02 0.02) = 0.011% HB ILE 56 - HG2 LYS+ 33 3.333% * 0.0111% (0.24 1.0 1.00 0.02 0.02) = 0.011% HB3 GLN 90 - QG LYS+ 81 3.333% * 0.0098% (0.21 1.0 1.00 0.02 0.02) = 0.010% HB3 ASP- 105 - QG LYS+ 81 3.333% * 0.0074% (0.16 1.0 1.00 0.02 0.02) = 0.007% HG2 ARG+ 54 - QG LYS+ 81 3.333% * 0.0068% (0.15 1.0 1.00 0.02 0.02) = 0.007% HB3 LYS+ 38 - HG2 LYS+ 33 3.333% * 0.0066% (0.14 1.0 1.00 0.02 0.02) = 0.007% HB ILE 103 - QG LYS+ 81 3.333% * 0.0062% (0.13 1.0 1.00 0.02 0.02) = 0.006% HG3 PRO 68 - QG LYS+ 81 3.333% * 0.0056% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB ILE 56 - QG LYS+ 81 3.333% * 0.0056% (0.12 1.0 1.00 0.02 0.02) = 0.006% HB3 LYS+ 38 - QG LYS+ 81 3.333% * 0.0033% (0.07 1.0 1.00 0.02 0.11) = 0.003% 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 (0.24) kept QG LYS+ 81 - QG LYS+ 81 (0.21) kept Peak 1328 (1.70, 1.56, 25.37 ppm): 21 chemical-shift based assignments, quality = 0.963, support = 3.95, residual support = 96.2: * O T QD LYS+ 106 - HG2 LYS+ 106 4.762% * 95.1548% (1.00 10.0 10.00 4.15 101.04) = 95.155% kept T QD LYS+ 106 - HG2 LYS+ 33 4.762% * 2.6982% (0.43 1.0 10.00 0.13 0.34) = 2.698% kept T QD LYS+ 99 - HG2 LYS+ 106 4.762% * 0.9468% (1.00 1.0 10.00 0.02 0.02) = 0.947% T QD LYS+ 99 - HG2 LYS+ 33 4.762% * 0.4103% (0.43 1.0 10.00 0.02 0.02) = 0.410% T QD LYS+ 106 - QG LYS+ 81 4.762% * 0.2071% (0.22 1.0 10.00 0.02 0.02) = 0.207% T QD LYS+ 99 - QG LYS+ 81 4.762% * 0.2060% (0.22 1.0 10.00 0.02 0.02) = 0.206% HB2 LEU 73 - HG2 LYS+ 106 4.762% * 0.0840% (0.88 1.0 1.00 0.02 5.68) = 0.084% HB3 MET 92 - HG2 LYS+ 106 4.762% * 0.0635% (0.67 1.0 1.00 0.02 0.02) = 0.063% HD2 LYS+ 111 - HG2 LYS+ 106 4.762% * 0.0463% (0.49 1.0 1.00 0.02 0.02) = 0.046% HB2 LEU 73 - HG2 LYS+ 33 4.762% * 0.0364% (0.38 1.0 1.00 0.02 0.02) = 0.036% HB3 MET 92 - HG2 LYS+ 33 4.762% * 0.0275% (0.29 1.0 1.00 0.02 0.02) = 0.028% HD2 LYS+ 111 - HG2 LYS+ 33 4.762% * 0.0201% (0.21 1.0 1.00 0.02 0.02) = 0.020% QG1 ILE 56 - HG2 LYS+ 106 4.762% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB2 LEU 73 - QG LYS+ 81 4.762% * 0.0183% (0.19 1.0 1.00 0.02 0.86) = 0.018% HB2 LEU 123 - HG2 LYS+ 106 4.762% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 MET 92 - QG LYS+ 81 4.762% * 0.0138% (0.15 1.0 1.00 0.02 0.02) = 0.014% HD2 LYS+ 111 - QG LYS+ 81 4.762% * 0.0101% (0.11 1.0 1.00 0.02 0.02) = 0.010% QG1 ILE 56 - HG2 LYS+ 33 4.762% * 0.0082% (0.09 1.0 1.00 0.02 0.02) = 0.008% HB2 LEU 123 - HG2 LYS+ 33 4.762% * 0.0068% (0.07 1.0 1.00 0.02 0.02) = 0.007% QG1 ILE 56 - QG LYS+ 81 4.762% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% HB2 LEU 123 - QG LYS+ 81 4.762% * 0.0034% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1329 (2.98, 1.56, 25.37 ppm): 12 chemical-shift based assignments, quality = 0.955, support = 4.25, residual support = 94.0: * O T QE LYS+ 106 - HG2 LYS+ 106 8.333% * 92.7963% (1.00 10.0 10.00 4.53 101.04) = 92.796% kept HB2 PHE 97 - HG2 LYS+ 106 8.333% * 3.2807% (0.49 1.0 1.00 1.45 8.02) = 3.281% kept T QE LYS+ 106 - HG2 LYS+ 33 8.333% * 2.6314% (0.43 1.0 10.00 0.13 0.34) = 2.631% kept HB3 TRP 27 - HG2 LYS+ 106 8.333% * 0.8992% (0.43 1.0 1.00 0.45 0.02) = 0.899% T QE LYS+ 106 - QG LYS+ 81 8.333% * 0.2019% (0.22 1.0 10.00 0.02 0.02) = 0.202% HB3 PHE 60 - HG2 LYS+ 106 8.333% * 0.0819% (0.88 1.0 1.00 0.02 0.02) = 0.082% HB3 PHE 60 - HG2 LYS+ 33 8.333% * 0.0355% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB2 PHE 97 - HG2 LYS+ 33 8.333% * 0.0196% (0.21 1.0 1.00 0.02 0.02) = 0.020% HB3 PHE 60 - QG LYS+ 81 8.333% * 0.0178% (0.19 1.0 1.00 0.02 0.02) = 0.018% HB3 TRP 27 - HG2 LYS+ 33 8.333% * 0.0173% (0.19 1.0 1.00 0.02 0.02) = 0.017% HB2 PHE 97 - QG LYS+ 81 8.333% * 0.0098% (0.11 1.0 1.00 0.02 0.02) = 0.010% HB3 TRP 27 - QG LYS+ 81 8.333% * 0.0087% (0.09 1.0 1.00 0.02 0.81) = 0.009% Peak 1330 (5.63, 1.70, 30.09 ppm): 2 chemical-shift based assignments, quality = 0.972, support = 3.83, residual support = 100.2: * T HA LYS+ 106 - QD LYS+ 106 50.000% * 99.1875% (0.98 10.00 3.86 101.04) = 99.188% kept T HA LYS+ 106 - QD LYS+ 99 50.000% * 0.8125% (0.80 10.00 0.02 0.02) = 0.812% Peak 1331 (1.87, 1.70, 30.09 ppm): 20 chemical-shift based assignments, quality = 0.924, support = 4.61, residual support = 89.2: * O T QB LYS+ 106 - QD LYS+ 106 5.000% * 86.9026% (0.98 10.0 10.00 4.93 101.04) = 86.903% kept HB3 ASP- 105 - QD LYS+ 106 5.000% * 10.0862% (0.71 1.0 1.00 3.20 14.16) = 10.086% kept T QB LYS+ 106 - QD LYS+ 99 5.000% * 0.7118% (0.80 1.0 10.00 0.02 0.02) = 0.712% HB3 ASP- 105 - QD LYS+ 99 5.000% * 0.6492% (0.58 1.0 1.00 0.25 0.23) = 0.649% T HB ILE 56 - QD LYS+ 106 5.000% * 0.4746% (0.54 1.0 10.00 0.02 0.02) = 0.475% T HB ILE 56 - QD LYS+ 99 5.000% * 0.3887% (0.44 1.0 10.00 0.02 0.02) = 0.389% QB LYS+ 81 - QD LYS+ 106 5.000% * 0.0865% (0.98 1.0 1.00 0.02 0.02) = 0.086% HB3 GLN 90 - QD LYS+ 106 5.000% * 0.0831% (0.94 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 33 - QD LYS+ 106 5.000% * 0.0767% (0.87 1.0 1.00 0.02 0.34) = 0.077% QB LYS+ 81 - QD LYS+ 99 5.000% * 0.0708% (0.80 1.0 1.00 0.02 0.02) = 0.071% HB3 GLN 90 - QD LYS+ 99 5.000% * 0.0681% (0.77 1.0 1.00 0.02 0.02) = 0.068% QB LYS+ 33 - QD LYS+ 99 5.000% * 0.0628% (0.71 1.0 1.00 0.02 0.02) = 0.063% HG2 ARG+ 54 - QD LYS+ 106 5.000% * 0.0580% (0.65 1.0 1.00 0.02 0.02) = 0.058% HB ILE 103 - QD LYS+ 106 5.000% * 0.0527% (0.59 1.0 1.00 0.02 0.02) = 0.053% HG2 ARG+ 54 - QD LYS+ 99 5.000% * 0.0475% (0.54 1.0 1.00 0.02 0.02) = 0.047% HG3 PRO 68 - QD LYS+ 106 5.000% * 0.0475% (0.54 1.0 1.00 0.02 0.02) = 0.047% HB ILE 103 - QD LYS+ 99 5.000% * 0.0432% (0.49 1.0 1.00 0.02 0.36) = 0.043% HG3 PRO 68 - QD LYS+ 99 5.000% * 0.0389% (0.44 1.0 1.00 0.02 0.02) = 0.039% HB3 LYS+ 38 - QD LYS+ 106 5.000% * 0.0282% (0.32 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 38 - QD LYS+ 99 5.000% * 0.0231% (0.26 1.0 1.00 0.02 0.60) = 0.023% Peak 1333 (1.56, 1.70, 30.09 ppm): 6 chemical-shift based assignments, quality = 0.946, support = 4.0, residual support = 97.5: * O T HG2 LYS+ 106 - QD LYS+ 106 16.667% * 96.5292% (0.98 10.0 10.00 4.15 101.04) = 96.529% kept T QG LYS+ 81 - QD LYS+ 106 16.667% * 0.9462% (0.96 1.0 10.00 0.02 0.02) = 0.946% T HG2 LYS+ 106 - QD LYS+ 99 16.667% * 0.7907% (0.80 1.0 10.00 0.02 0.02) = 0.791% T QG LYS+ 81 - QD LYS+ 99 16.667% * 0.7750% (0.79 1.0 10.00 0.02 0.02) = 0.775% T HG2 LYS+ 33 - QD LYS+ 106 16.667% * 0.5271% (0.54 1.0 10.00 0.02 0.34) = 0.527% T HG2 LYS+ 33 - QD LYS+ 99 16.667% * 0.4318% (0.44 1.0 10.00 0.02 0.02) = 0.432% 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 = 0.955, support = 3.26, residual support = 97.3: * O T QE LYS+ 106 - QD LYS+ 106 12.500% * 96.0885% (0.98 10.0 10.00 3.35 101.04) = 96.089% kept HB2 PHE 97 - QD LYS+ 106 12.500% * 2.8567% (0.48 1.0 1.00 1.22 8.02) = 2.857% kept T QE LYS+ 106 - QD LYS+ 99 12.500% * 0.7871% (0.80 1.0 10.00 0.02 0.02) = 0.787% HB3 PHE 60 - QD LYS+ 106 12.500% * 0.0848% (0.87 1.0 1.00 0.02 0.02) = 0.085% HB3 PHE 60 - QD LYS+ 99 12.500% * 0.0695% (0.71 1.0 1.00 0.02 0.02) = 0.069% HB3 TRP 27 - QD LYS+ 106 12.500% * 0.0413% (0.42 1.0 1.00 0.02 0.02) = 0.041% HB2 PHE 97 - QD LYS+ 99 12.500% * 0.0383% (0.39 1.0 1.00 0.02 0.02) = 0.038% HB3 TRP 27 - QD LYS+ 99 12.500% * 0.0338% (0.34 1.0 1.00 0.02 0.02) = 0.034% Peak 1336 (5.63, 2.98, 42.19 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 4.24, residual support = 101.0: * T HA LYS+ 106 - QE LYS+ 106 100.000% *100.0000% (1.00 10.00 4.24 101.04) = 100.000% kept Peak 1337 (1.87, 2.98, 42.19 ppm): 10 chemical-shift based assignments, quality = 0.959, support = 5.07, residual support = 90.3: * T QB LYS+ 106 - QE LYS+ 106 10.000% * 87.7847% (1.00 10.00 5.33 101.04) = 87.785% kept HB3 ASP- 105 - QE LYS+ 106 10.000% * 11.1665% (0.73 1.00 3.50 14.16) = 11.167% kept HB ILE 103 - QE LYS+ 106 10.000% * 0.6171% (0.61 1.00 0.23 0.02) = 0.617% QB LYS+ 81 - QE LYS+ 106 10.000% * 0.0873% (1.00 1.00 0.02 0.02) = 0.087% HB3 GLN 90 - QE LYS+ 106 10.000% * 0.0839% (0.96 1.00 0.02 0.02) = 0.084% QB LYS+ 33 - QE LYS+ 106 10.000% * 0.0775% (0.88 1.00 0.02 0.34) = 0.077% HG2 ARG+ 54 - QE LYS+ 106 10.000% * 0.0586% (0.67 1.00 0.02 0.02) = 0.059% HB ILE 56 - QE LYS+ 106 10.000% * 0.0479% (0.55 1.00 0.02 0.02) = 0.048% HG3 PRO 68 - QE LYS+ 106 10.000% * 0.0479% (0.55 1.00 0.02 0.02) = 0.048% HB3 LYS+ 38 - QE LYS+ 106 10.000% * 0.0285% (0.32 1.00 0.02 0.02) = 0.028% Peak 1339 (1.56, 2.98, 42.19 ppm): 3 chemical-shift based assignments, quality = 0.975, support = 4.33, residual support = 96.7: * O T HG2 LYS+ 106 - QE LYS+ 106 33.333% * 95.6449% (1.00 10.0 10.00 4.53 101.04) = 95.645% kept T HG2 LYS+ 33 - QE LYS+ 106 33.333% * 3.4176% (0.55 1.0 10.00 0.13 0.34) = 3.418% kept T QG LYS+ 81 - QE LYS+ 106 33.333% * 0.9375% (0.98 1.0 10.00 0.02 0.02) = 0.938% Peak 1340 (1.70, 2.98, 42.19 ppm): 7 chemical-shift based assignments, quality = 0.978, support = 3.31, residual support = 99.8: * O T QD LYS+ 106 - QE LYS+ 106 14.286% * 98.7809% (0.98 10.0 10.00 3.35 101.04) = 98.781% kept T QD LYS+ 99 - QE LYS+ 106 14.286% * 1.0027% (1.00 1.0 10.00 0.02 0.02) = 1.003% kept HB2 LEU 73 - QE LYS+ 106 14.286% * 0.0789% (0.78 1.0 1.00 0.02 5.68) = 0.079% HB3 MET 92 - QE LYS+ 106 14.286% * 0.0550% (0.55 1.0 1.00 0.02 0.02) = 0.055% HD2 LYS+ 111 - QE LYS+ 106 14.286% * 0.0378% (0.38 1.0 1.00 0.02 0.02) = 0.038% QG1 ILE 56 - QE LYS+ 106 14.286% * 0.0280% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB3 LYS+ 99 - QE LYS+ 106 14.286% * 0.0166% (0.16 1.0 1.00 0.02 0.02) = 0.017% 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): 3 chemical-shift based assignments, quality = 0.485, support = 3.3, residual support = 48.0: * O T HB VAL 107 - HA VAL 107 33.333% * 99.6924% (0.49 10.0 10.00 3.31 48.13) = 99.692% kept QG GLN 32 - HA VAL 107 33.333% * 0.1958% (0.96 1.0 1.00 0.02 0.02) = 0.196% QG GLU- 79 - HA VAL 107 33.333% * 0.1118% (0.55 1.0 1.00 0.02 0.02) = 0.112% Peak 1344 (4.48, 2.40, 36.05 ppm): 3 chemical-shift based assignments, quality = 0.486, support = 3.31, residual support = 48.1: * O T HA VAL 107 - HB VAL 107 33.333% * 99.8473% (0.49 10.0 10.00 3.31 48.13) = 99.847% kept HA ALA 91 - HB VAL 107 33.333% * 0.0922% (0.45 1.0 1.00 0.02 0.02) = 0.092% HA TRP 27 - HB VAL 107 33.333% * 0.0606% (0.30 1.0 1.00 0.02 0.29) = 0.061% Peak 1345 (2.40, 2.40, 36.05 ppm): 1 diagonal assignment: * HB VAL 107 - HB VAL 107 (0.24) 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): 7 chemical-shift based assignments, quality = 0.996, support = 3.28, residual support = 54.1: * O T HB VAL 108 - HA VAL 108 14.286% * 99.5660% (1.00 10.0 10.00 3.30 54.36) = 99.566% kept HB2 ARG+ 54 - HA VAL 108 14.286% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - HA VAL 108 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB ILE 119 - HA VAL 108 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 GLU- 100 - HA VAL 108 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 PRO 93 - HA VAL 108 14.286% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG3 GLN 30 - HA VAL 108 14.286% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1348 (0.89, 4.56, 62.51 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 54.3: * O T QG1 VAL 108 - HA VAL 108 50.000% * 99.9625% (1.00 10.0 10.00 3.96 54.36) = 99.962% kept HB3 LEU 63 - HA VAL 108 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% Peak 1349 (1.03, 4.56, 62.51 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.11, residual support = 54.3: * O T QG2 VAL 108 - HA VAL 108 33.333% * 99.8592% (1.00 10.0 10.00 3.12 54.36) = 99.859% kept HB2 LEU 104 - HA VAL 108 33.333% * 0.0922% (0.92 1.0 1.00 0.02 0.02) = 0.092% QD1 ILE 119 - HA VAL 108 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 1350 (4.56, 2.05, 32.95 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.3, residual support = 54.3: * O T HA VAL 108 - HB VAL 108 50.000% * 99.9045% (1.00 10.0 10.00 3.30 54.36) = 99.904% kept HA ALA 47 - HB VAL 108 50.000% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.096% 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): 2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 54.3: * O T QG1 VAL 108 - HB VAL 108 50.000% * 99.9625% (1.00 10.0 10.00 3.31 54.36) = 99.962% kept HB3 LEU 63 - HB VAL 108 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% Peak 1353 (1.03, 2.05, 32.95 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 2.98, residual support = 54.0: * O T QG2 VAL 108 - HB VAL 108 33.333% * 99.4243% (1.00 10.0 10.00 3.00 54.36) = 99.424% kept T QD1 ILE 119 - HB VAL 108 33.333% * 0.4839% (0.49 1.0 10.00 0.02 0.02) = 0.484% HB2 LEU 104 - HB VAL 108 33.333% * 0.0918% (0.92 1.0 1.00 0.02 0.02) = 0.092% Peak 1354 (4.56, 0.89, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.96, residual support = 54.3: * O T HA VAL 108 - QG1 VAL 108 50.000% * 99.9045% (1.00 10.0 10.00 3.96 54.36) = 99.904% kept HA ALA 47 - QG1 VAL 108 50.000% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.096% Peak 1355 (2.05, 0.89, 21.81 ppm): 7 chemical-shift based assignments, quality = 0.996, support = 3.3, residual support = 54.1: * O T HB VAL 108 - QG1 VAL 108 14.286% * 99.5660% (1.00 10.0 10.00 3.31 54.36) = 99.566% kept HB2 ARG+ 54 - QG1 VAL 108 14.286% * 0.0976% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLN 30 - QG1 VAL 108 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB ILE 119 - QG1 VAL 108 14.286% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 GLU- 100 - QG1 VAL 108 14.286% * 0.0723% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 PRO 93 - QG1 VAL 108 14.286% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG3 GLN 30 - QG1 VAL 108 14.286% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% 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): 3 chemical-shift based assignments, quality = 0.999, support = 3.3, residual support = 54.3: * O T QG2 VAL 108 - QG1 VAL 108 33.333% * 99.8592% (1.00 10.0 10.00 3.31 54.36) = 99.859% kept HB2 LEU 104 - QG1 VAL 108 33.333% * 0.0922% (0.92 1.0 1.00 0.02 0.02) = 0.092% QD1 ILE 119 - QG1 VAL 108 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 1358 (4.56, 1.03, 20.80 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.12, residual support = 54.3: * O T HA VAL 108 - QG2 VAL 108 50.000% * 99.9045% (1.00 10.0 10.00 3.12 54.36) = 99.904% kept HA ALA 47 - QG2 VAL 108 50.000% * 0.0955% (0.96 1.0 1.00 0.02 0.02) = 0.096% Peak 1359 (2.05, 1.03, 20.80 ppm): 7 chemical-shift based assignments, quality = 0.988, support = 2.96, residual support = 53.7: * O T HB VAL 108 - QG2 VAL 108 14.286% * 98.8263% (1.00 10.0 10.00 3.00 54.36) = 98.826% kept T HB ILE 119 - QG2 VAL 108 14.286% * 0.8255% (0.84 1.0 10.00 0.02 0.02) = 0.825% HB2 ARG+ 54 - QG2 VAL 108 14.286% * 0.0969% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 30 - QG2 VAL 108 14.286% * 0.0825% (0.84 1.0 1.00 0.02 0.02) = 0.083% HB3 GLU- 100 - QG2 VAL 108 14.286% * 0.0718% (0.73 1.0 1.00 0.02 0.02) = 0.072% HB2 PRO 93 - QG2 VAL 108 14.286% * 0.0599% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG3 GLN 30 - QG2 VAL 108 14.286% * 0.0371% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1360 (0.89, 1.03, 20.80 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 54.3: * O T QG1 VAL 108 - QG2 VAL 108 50.000% * 99.9625% (1.00 10.0 10.00 3.31 54.36) = 99.962% kept HB3 LEU 63 - QG2 VAL 108 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% 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 = 0.971, support = 1.88, residual support = 8.57: * O T HA2 GLY 109 - HA1 GLY 109 20.000% * 93.0242% (1.00 10.0 10.00 2.00 9.21) = 93.024% kept T HB2 TRP 49 - HA1 GLY 109 20.000% * 6.7809% (0.61 1.0 10.00 0.24 0.02) = 6.781% kept HA ALA 84 - HA1 GLY 109 20.000% * 0.0821% (0.88 1.0 1.00 0.02 0.02) = 0.082% HA THR 118 - HA1 GLY 109 20.000% * 0.0675% (0.73 1.0 1.00 0.02 0.02) = 0.068% HA ILE 119 - HA1 GLY 109 20.000% * 0.0453% (0.49 1.0 1.00 0.02 0.02) = 0.045% Peak 1364 (4.58, 3.67, 43.34 ppm): 5 chemical-shift based assignments, quality = 0.98, support = 1.96, residual support = 9.03: * O T HA1 GLY 109 - HA2 GLY 109 20.000% * 98.0348% (1.00 10.0 10.00 2.00 9.21) = 98.035% kept T HA CYS 50 - HA2 GLY 109 20.000% * 0.9755% (1.00 1.0 10.00 0.02 0.02) = 0.975% T HA TRP 49 - HA2 GLY 109 20.000% * 0.9050% (0.92 1.0 10.00 0.02 0.02) = 0.905% HA CYS 21 - HA2 GLY 109 20.000% * 0.0654% (0.67 1.0 1.00 0.02 0.02) = 0.065% HA LYS+ 102 - HA2 GLY 109 20.000% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% 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): 9 chemical-shift based assignments, quality = 0.988, support = 1.25, residual support = 6.63: * O T QB ALA 110 - HA ALA 110 11.111% * 98.8023% (1.00 10.0 10.00 1.27 6.71) = 98.802% kept T QB ALA 61 - HA ALA 110 11.111% * 0.8253% (0.84 1.0 10.00 0.02 0.02) = 0.825% HG LEU 80 - HA ALA 110 11.111% * 0.0983% (1.00 1.0 1.00 0.02 0.02) = 0.098% HG12 ILE 19 - HA ALA 110 11.111% * 0.0968% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 67 - HA ALA 110 11.111% * 0.0599% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 80 - HA ALA 110 11.111% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% QG LYS+ 66 - HA ALA 110 11.111% * 0.0321% (0.32 1.0 1.00 0.02 0.02) = 0.032% HD3 LYS+ 121 - HA ALA 110 11.111% * 0.0233% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 LYS+ 74 - HA ALA 110 11.111% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1368 (4.46, 1.42, 18.06 ppm): 6 chemical-shift based assignments, quality = 0.981, support = 1.24, residual support = 6.49: * O T HA ALA 110 - QB ALA 110 16.667% * 96.5739% (1.00 10.0 10.00 1.27 6.71) = 96.574% kept HA PHE 55 - QB ALA 110 16.667% * 2.0635% (0.73 1.0 1.00 0.59 0.46) = 2.063% kept T HA ALA 110 - QB ALA 61 16.667% * 0.6466% (0.67 1.0 10.00 0.02 0.02) = 0.647% HA PHE 55 - QB ALA 61 16.667% * 0.5618% (0.49 1.0 1.00 0.24 0.02) = 0.562% HA GLN 90 - QB ALA 110 16.667% * 0.0923% (0.96 1.0 1.00 0.02 0.02) = 0.092% HA GLN 90 - QB ALA 61 16.667% * 0.0618% (0.64 1.0 1.00 0.02 0.02) = 0.062% 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 (0.56) 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): 8 chemical-shift based assignments, quality = 0.994, support = 7.82, residual support = 281.6: * O T HB2 LYS+ 111 - HA LYS+ 111 12.500% * 99.4111% (1.00 10.0 10.00 7.87 283.24) = 99.411% kept T HG3 GLN 30 - HA LYS+ 111 12.500% * 0.1967% (0.20 1.0 10.00 0.02 0.02) = 0.197% QB GLU- 15 - HA LYS+ 111 12.500% * 0.0974% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 17 - HA LYS+ 111 12.500% * 0.0974% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HA LYS+ 111 12.500% * 0.0778% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 PRO 68 - HA LYS+ 111 12.500% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% QB GLU- 114 - HA LYS+ 111 12.500% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB ILE 19 - HA LYS+ 111 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1372 (1.33, 4.53, 54.74 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 281.8: * O T HG2 LYS+ 111 - HA LYS+ 111 10.000% * 99.5059% (1.00 10.0 10.00 6.00 283.24) = 99.506% kept HB2 LEU 31 - HA LYS+ 111 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 80 - HA LYS+ 111 10.000% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG2 LYS+ 99 - HA LYS+ 111 10.000% * 0.0779% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 63 - HA LYS+ 111 10.000% * 0.0664% (0.67 1.0 1.00 0.02 0.35) = 0.066% HG2 LYS+ 38 - HA LYS+ 111 10.000% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 ASP- 44 - HA LYS+ 111 10.000% * 0.0484% (0.49 1.0 1.00 0.02 0.27) = 0.048% QB ALA 124 - HA LYS+ 111 10.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB ALA 88 - HA LYS+ 111 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - HA LYS+ 111 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1373 (1.22, 4.53, 54.74 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.99, residual support = 282.9: * O T HG3 LYS+ 111 - HA LYS+ 111 33.333% * 99.8857% (1.00 10.0 10.00 7.00 283.24) = 99.886% kept HG12 ILE 89 - HA LYS+ 111 33.333% * 0.0979% (0.98 1.0 1.00 0.02 0.52) = 0.098% HB3 LEU 71 - HA LYS+ 111 33.333% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1374 (1.69, 4.53, 54.74 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 5.93, residual support = 280.9: * T HD2 LYS+ 111 - HA LYS+ 111 12.500% * 99.1612% (1.00 10.00 5.98 283.24) = 99.161% kept T QD LYS+ 102 - HA LYS+ 111 12.500% * 0.4260% (0.43 10.00 0.02 0.02) = 0.426% HB3 MET 92 - HA LYS+ 111 12.500% * 0.0948% (0.96 1.00 0.02 0.02) = 0.095% HB2 LEU 73 - HA LYS+ 111 12.500% * 0.0776% (0.78 1.00 0.02 0.11) = 0.078% HB2 LEU 123 - HA LYS+ 111 12.500% * 0.0776% (0.78 1.00 0.02 0.02) = 0.078% HG3 PRO 93 - HA LYS+ 111 12.500% * 0.0720% (0.73 1.00 0.02 0.02) = 0.072% QD LYS+ 106 - HA LYS+ 111 12.500% * 0.0483% (0.49 1.00 0.02 0.02) = 0.048% QD LYS+ 99 - HA LYS+ 111 12.500% * 0.0426% (0.43 1.00 0.02 0.02) = 0.043% Peak 1375 (1.64, 4.53, 54.74 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 5.92, residual support = 280.4: * T HD3 LYS+ 111 - HA LYS+ 111 20.000% * 98.9833% (1.00 10.00 5.98 283.24) = 98.983% kept T QD LYS+ 33 - HA LYS+ 111 20.000% * 0.7747% (0.78 10.00 0.02 0.02) = 0.775% QB ALA 57 - HA LYS+ 111 20.000% * 0.0985% (1.00 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - HA LYS+ 111 20.000% * 0.0775% (0.78 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - HA LYS+ 111 20.000% * 0.0660% (0.67 1.00 0.02 0.02) = 0.066% Peak 1376 (3.06, 4.53, 54.74 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.31, residual support = 282.9: * T QE LYS+ 111 - HA LYS+ 111 33.333% * 99.8841% (1.00 10.00 5.31 283.24) = 99.884% kept HB2 PHE 45 - HA LYS+ 111 33.333% * 0.0881% (0.88 1.00 0.02 1.41) = 0.088% HB2 CYS 21 - HA LYS+ 111 33.333% * 0.0278% (0.28 1.00 0.02 0.02) = 0.028% Peak 1377 (4.53, 2.02, 33.52 ppm): 4 chemical-shift based assignments, quality = 0.999, support = 7.86, residual support = 282.9: * O T HA LYS+ 111 - HB2 LYS+ 111 25.000% * 99.8778% (1.00 10.0 10.00 7.87 283.24) = 99.878% kept T HA LYS+ 111 - HG3 GLN 30 25.000% * 0.0816% (0.08 1.0 10.00 0.02 0.02) = 0.082% HA PRO 52 - HB2 LYS+ 111 25.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA PRO 52 - HG3 GLN 30 25.000% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% 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 (0.02) kept Peak 1379 (1.33, 2.02, 33.52 ppm): 20 chemical-shift based assignments, quality = 0.978, support = 6.64, residual support = 277.1: * O T HG2 LYS+ 111 - HB2 LYS+ 111 5.000% * 97.6515% (1.00 10.0 10.00 6.72 283.24) = 97.651% kept HB2 LEU 31 - HG3 GLN 30 5.000% * 1.7520% (0.08 1.0 1.00 4.48 27.30) = 1.752% kept HB2 LEU 31 - HB2 LYS+ 111 5.000% * 0.0957% (0.98 1.0 1.00 0.02 0.02) = 0.096% HB3 LEU 80 - HB2 LYS+ 111 5.000% * 0.0816% (0.84 1.0 1.00 0.02 0.02) = 0.082% T HG2 LYS+ 111 - HG3 GLN 30 5.000% * 0.0798% (0.08 1.0 10.00 0.02 0.02) = 0.080% HG2 LYS+ 99 - HB2 LYS+ 111 5.000% * 0.0764% (0.78 1.0 1.00 0.02 0.02) = 0.076% HB2 LEU 63 - HB2 LYS+ 111 5.000% * 0.0651% (0.67 1.0 1.00 0.02 0.35) = 0.065% HG2 LYS+ 38 - HB2 LYS+ 111 5.000% * 0.0592% (0.61 1.0 1.00 0.02 0.02) = 0.059% HB3 ASP- 44 - HB2 LYS+ 111 5.000% * 0.0475% (0.49 1.0 1.00 0.02 0.27) = 0.048% QB ALA 124 - HB2 LYS+ 111 5.000% * 0.0272% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 88 - HB2 LYS+ 111 5.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - HB2 LYS+ 111 5.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 80 - HG3 GLN 30 5.000% * 0.0067% (0.07 1.0 1.00 0.02 0.45) = 0.007% HG2 LYS+ 99 - HG3 GLN 30 5.000% * 0.0062% (0.06 1.0 1.00 0.02 0.02) = 0.006% HB2 LEU 63 - HG3 GLN 30 5.000% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% HG2 LYS+ 38 - HG3 GLN 30 5.000% * 0.0048% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB3 ASP- 44 - HG3 GLN 30 5.000% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% QB ALA 124 - HG3 GLN 30 5.000% * 0.0022% (0.02 1.0 1.00 0.02 0.02) = 0.002% QB ALA 88 - HG3 GLN 30 5.000% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% HG LEU 98 - HG3 GLN 30 5.000% * 0.0013% (0.01 1.0 1.00 0.02 1.22) = 0.001% Peak 1380 (1.22, 2.02, 33.52 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 7.25, residual support = 282.7: * O T HG3 LYS+ 111 - HB2 LYS+ 111 16.667% * 99.7949% (1.00 10.0 10.00 7.26 283.24) = 99.795% kept HG12 ILE 89 - HB2 LYS+ 111 16.667% * 0.0978% (0.98 1.0 1.00 0.02 0.52) = 0.098% T HG3 LYS+ 111 - HG3 GLN 30 16.667% * 0.0816% (0.08 1.0 10.00 0.02 0.02) = 0.082% HB3 LEU 71 - HB2 LYS+ 111 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 89 - HG3 GLN 30 16.667% * 0.0080% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 71 - HG3 GLN 30 16.667% * 0.0013% (0.01 1.0 1.00 0.02 0.02) = 0.001% Peak 1381 (1.69, 2.02, 33.52 ppm): 16 chemical-shift based assignments, quality = 0.99, support = 6.6, residual support = 280.3: * O T HD2 LYS+ 111 - HB2 LYS+ 111 6.250% * 98.9607% (1.00 10.0 10.00 6.67 283.24) = 98.961% kept T QD LYS+ 102 - HB2 LYS+ 111 6.250% * 0.4251% (0.43 1.0 10.00 0.02 0.02) = 0.425% HB3 MET 92 - HB2 LYS+ 111 6.250% * 0.0946% (0.96 1.0 1.00 0.02 0.02) = 0.095% T HD2 LYS+ 111 - HG3 GLN 30 6.250% * 0.0809% (0.08 1.0 10.00 0.02 0.02) = 0.081% HB2 LEU 73 - HB2 LYS+ 111 6.250% * 0.0775% (0.78 1.0 1.00 0.02 0.11) = 0.077% HB2 LEU 123 - HB2 LYS+ 111 6.250% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.077% HG3 PRO 93 - HB2 LYS+ 111 6.250% * 0.0719% (0.73 1.0 1.00 0.02 0.02) = 0.072% T HG3 PRO 93 - HG3 GLN 30 6.250% * 0.0587% (0.06 1.0 10.00 0.02 0.02) = 0.059% QD LYS+ 106 - HB2 LYS+ 111 6.250% * 0.0482% (0.49 1.0 1.00 0.02 0.02) = 0.048% QD LYS+ 99 - HB2 LYS+ 111 6.250% * 0.0425% (0.43 1.0 1.00 0.02 0.02) = 0.043% T QD LYS+ 102 - HG3 GLN 30 6.250% * 0.0347% (0.04 1.0 10.00 0.02 0.02) = 0.035% HB3 MET 92 - HG3 GLN 30 6.250% * 0.0077% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB2 LEU 73 - HG3 GLN 30 6.250% * 0.0063% (0.06 1.0 1.00 0.02 0.65) = 0.006% HB2 LEU 123 - HG3 GLN 30 6.250% * 0.0063% (0.06 1.0 1.00 0.02 4.18) = 0.006% QD LYS+ 106 - HG3 GLN 30 6.250% * 0.0039% (0.04 1.0 1.00 0.02 0.02) = 0.004% QD LYS+ 99 - HG3 GLN 30 6.250% * 0.0035% (0.04 1.0 1.00 0.02 0.02) = 0.003% Peak 1382 (1.64, 2.02, 33.52 ppm): 10 chemical-shift based assignments, quality = 0.974, support = 6.5, residual support = 275.5: * O T HD3 LYS+ 111 - HB2 LYS+ 111 10.000% * 97.2727% (1.00 10.0 10.00 6.67 283.24) = 97.273% kept T QD LYS+ 33 - HG3 GLN 30 10.000% * 1.6292% (0.06 1.0 10.00 0.52 0.02) = 1.629% kept T QD LYS+ 33 - HB2 LYS+ 111 10.000% * 0.7614% (0.78 1.0 10.00 0.02 0.02) = 0.761% QB ALA 57 - HB2 LYS+ 111 10.000% * 0.0968% (1.00 1.0 1.00 0.02 0.02) = 0.097% T HD3 LYS+ 111 - HG3 GLN 30 10.000% * 0.0795% (0.08 1.0 10.00 0.02 0.02) = 0.079% HB3 LEU 123 - HB2 LYS+ 111 10.000% * 0.0761% (0.78 1.0 1.00 0.02 0.02) = 0.076% HD2 LYS+ 74 - HB2 LYS+ 111 10.000% * 0.0649% (0.67 1.0 1.00 0.02 0.02) = 0.065% QB ALA 57 - HG3 GLN 30 10.000% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 LEU 123 - HG3 GLN 30 10.000% * 0.0062% (0.06 1.0 1.00 0.02 4.18) = 0.006% HD2 LYS+ 74 - HG3 GLN 30 10.000% * 0.0053% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 1383 (3.06, 2.02, 33.52 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.01, residual support = 282.7: * T QE LYS+ 111 - HB2 LYS+ 111 16.667% * 99.7932% (1.00 10.00 6.02 283.24) = 99.793% kept HB2 PHE 45 - HB2 LYS+ 111 16.667% * 0.0881% (0.88 1.00 0.02 1.41) = 0.088% T QE LYS+ 111 - HG3 GLN 30 16.667% * 0.0816% (0.08 10.00 0.02 0.02) = 0.082% HB2 CYS 21 - HB2 LYS+ 111 16.667% * 0.0277% (0.28 1.00 0.02 0.02) = 0.028% HB2 PHE 45 - HG3 GLN 30 16.667% * 0.0072% (0.07 1.00 0.02 0.02) = 0.007% HB2 CYS 21 - HG3 GLN 30 16.667% * 0.0023% (0.02 1.00 0.02 0.02) = 0.002% Peak 1384 (4.53, 1.33, 24.92 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 283.1: * O T HA LYS+ 111 - HG2 LYS+ 111 50.000% * 99.9625% (1.00 10.0 10.00 6.00 283.24) = 99.962% kept HA PRO 52 - HG2 LYS+ 111 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% Peak 1385 (2.02, 1.33, 24.92 ppm): 8 chemical-shift based assignments, quality = 0.986, support = 6.62, residual support = 279.3: * O T HB2 LYS+ 111 - HG2 LYS+ 111 12.500% * 98.6136% (1.00 10.0 10.00 6.72 283.24) = 98.614% kept HB3 GLU- 25 - HG2 LYS+ 111 12.500% * 0.8794% (0.78 1.0 1.00 0.23 0.02) = 0.879% T HG3 GLN 30 - HG2 LYS+ 111 12.500% * 0.1952% (0.20 1.0 10.00 0.02 0.02) = 0.195% QB GLU- 15 - HG2 LYS+ 111 12.500% * 0.0967% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 17 - HG2 LYS+ 111 12.500% * 0.0967% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 PRO 68 - HG2 LYS+ 111 12.500% * 0.0716% (0.73 1.0 1.00 0.02 0.02) = 0.072% QB GLU- 114 - HG2 LYS+ 111 12.500% * 0.0274% (0.28 1.0 1.00 0.02 0.02) = 0.027% HB ILE 19 - HG2 LYS+ 111 12.500% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 3 chemical-shift based assignments, quality = 0.999, support = 6.16, residual support = 270.3: * O T HG3 LYS+ 111 - HG2 LYS+ 111 33.333% * 95.4276% (1.00 10.0 10.00 6.41 283.24) = 95.428% kept HG12 ILE 89 - HG2 LYS+ 111 33.333% * 4.5567% (0.98 1.0 1.00 0.97 0.52) = 4.557% kept HB3 LEU 71 - HG2 LYS+ 111 33.333% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1388 (1.69, 1.33, 24.92 ppm): 8 chemical-shift based assignments, quality = 0.984, support = 5.88, residual support = 278.6: * O T HD2 LYS+ 111 - HG2 LYS+ 111 12.500% * 98.3568% (1.00 10.0 10.00 5.98 283.24) = 98.357% kept T QD LYS+ 106 - HG2 LYS+ 111 12.500% * 0.4788% (0.49 1.0 10.00 0.02 0.02) = 0.479% T QD LYS+ 99 - HG2 LYS+ 111 12.500% * 0.4225% (0.43 1.0 10.00 0.02 0.02) = 0.422% T QD LYS+ 102 - HG2 LYS+ 111 12.500% * 0.4225% (0.43 1.0 10.00 0.02 0.02) = 0.422% HB3 MET 92 - HG2 LYS+ 111 12.500% * 0.0940% (0.96 1.0 1.00 0.02 0.02) = 0.094% HB2 LEU 73 - HG2 LYS+ 111 12.500% * 0.0770% (0.78 1.0 1.00 0.02 0.11) = 0.077% HB2 LEU 123 - HG2 LYS+ 111 12.500% * 0.0770% (0.78 1.0 1.00 0.02 0.02) = 0.077% HG3 PRO 93 - HG2 LYS+ 111 12.500% * 0.0714% (0.73 1.0 1.00 0.02 0.02) = 0.071% Peak 1389 (1.64, 1.33, 24.92 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 5.92, residual support = 280.4: * O T HD3 LYS+ 111 - HG2 LYS+ 111 20.000% * 98.9833% (1.00 10.0 10.00 5.98 283.24) = 98.983% kept T QD LYS+ 33 - HG2 LYS+ 111 20.000% * 0.7747% (0.78 1.0 10.00 0.02 0.02) = 0.775% QB ALA 57 - HG2 LYS+ 111 20.000% * 0.0985% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - HG2 LYS+ 111 20.000% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - HG2 LYS+ 111 20.000% * 0.0660% (0.67 1.0 1.00 0.02 0.02) = 0.066% Peak 1390 (3.06, 1.33, 24.92 ppm): 3 chemical-shift based assignments, quality = 0.998, support = 5.22, residual support = 278.1: * O T QE LYS+ 111 - HG2 LYS+ 111 33.333% * 98.1762% (1.00 10.0 10.00 5.31 283.24) = 98.176% kept HB2 PHE 45 - HG2 LYS+ 111 33.333% * 1.7965% (0.88 1.0 1.00 0.41 1.41) = 1.796% kept HB2 CYS 21 - HG2 LYS+ 111 33.333% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% Peak 1391 (4.53, 1.22, 24.92 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 283.1: * O T HA LYS+ 111 - HG3 LYS+ 111 50.000% * 99.9625% (1.00 10.0 10.00 7.00 283.24) = 99.962% kept HA PRO 52 - HG3 LYS+ 111 50.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.038% Peak 1392 (2.02, 1.22, 24.92 ppm): 8 chemical-shift based assignments, quality = 0.994, support = 7.22, residual support = 281.6: * O T HB2 LYS+ 111 - HG3 LYS+ 111 12.500% * 99.4111% (1.00 10.0 10.00 7.26 283.24) = 99.411% kept T HG3 GLN 30 - HG3 LYS+ 111 12.500% * 0.1967% (0.20 1.0 10.00 0.02 0.02) = 0.197% QB GLU- 15 - HG3 LYS+ 111 12.500% * 0.0974% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 17 - HG3 LYS+ 111 12.500% * 0.0974% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HG3 LYS+ 111 12.500% * 0.0778% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 PRO 68 - HG3 LYS+ 111 12.500% * 0.0722% (0.73 1.0 1.00 0.02 0.02) = 0.072% QB GLU- 114 - HG3 LYS+ 111 12.500% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB ILE 19 - HG3 LYS+ 111 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1393 (1.33, 1.22, 24.92 ppm): 10 chemical-shift based assignments, quality = 0.992, support = 6.31, residual support = 278.5: * O T HG2 LYS+ 111 - HG3 LYS+ 111 10.000% * 98.3084% (1.00 10.0 10.00 6.41 283.24) = 98.308% kept HB2 LEU 63 - HG3 LYS+ 111 10.000% * 1.2691% (0.67 1.0 1.00 0.39 0.35) = 1.269% kept HB2 LEU 31 - HG3 LYS+ 111 10.000% * 0.0964% (0.98 1.0 1.00 0.02 0.02) = 0.096% HB3 LEU 80 - HG3 LYS+ 111 10.000% * 0.0821% (0.84 1.0 1.00 0.02 0.02) = 0.082% HG2 LYS+ 99 - HG3 LYS+ 111 10.000% * 0.0769% (0.78 1.0 1.00 0.02 0.02) = 0.077% HG2 LYS+ 38 - HG3 LYS+ 111 10.000% * 0.0596% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 ASP- 44 - HG3 LYS+ 111 10.000% * 0.0479% (0.49 1.0 1.00 0.02 0.27) = 0.048% QB ALA 124 - HG3 LYS+ 111 10.000% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 88 - HG3 LYS+ 111 10.000% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - HG3 LYS+ 111 10.000% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1394 (1.22, 1.22, 24.92 ppm): 1 diagonal assignment: * HG3 LYS+ 111 - HG3 LYS+ 111 (1.00) kept Peak 1395 (1.69, 1.22, 24.92 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 5.37, residual support = 280.9: * O T HD2 LYS+ 111 - HG3 LYS+ 111 12.500% * 99.1612% (1.00 10.0 10.00 5.41 283.24) = 99.161% kept T QD LYS+ 102 - HG3 LYS+ 111 12.500% * 0.4260% (0.43 1.0 10.00 0.02 0.02) = 0.426% HB3 MET 92 - HG3 LYS+ 111 12.500% * 0.0948% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 LEU 73 - HG3 LYS+ 111 12.500% * 0.0776% (0.78 1.0 1.00 0.02 0.11) = 0.078% HB2 LEU 123 - HG3 LYS+ 111 12.500% * 0.0776% (0.78 1.0 1.00 0.02 0.02) = 0.078% HG3 PRO 93 - HG3 LYS+ 111 12.500% * 0.0720% (0.73 1.0 1.00 0.02 0.02) = 0.072% QD LYS+ 106 - HG3 LYS+ 111 12.500% * 0.0483% (0.49 1.0 1.00 0.02 0.02) = 0.048% QD LYS+ 99 - HG3 LYS+ 111 12.500% * 0.0426% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 1396 (1.64, 1.22, 24.92 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 5.36, residual support = 280.4: * O T HD3 LYS+ 111 - HG3 LYS+ 111 20.000% * 98.9833% (1.00 10.0 10.00 5.41 283.24) = 98.983% kept T QD LYS+ 33 - HG3 LYS+ 111 20.000% * 0.7747% (0.78 1.0 10.00 0.02 0.02) = 0.775% QB ALA 57 - HG3 LYS+ 111 20.000% * 0.0985% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - HG3 LYS+ 111 20.000% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - HG3 LYS+ 111 20.000% * 0.0660% (0.67 1.0 1.00 0.02 0.02) = 0.066% Peak 1397 (3.06, 1.22, 24.92 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.41, residual support = 282.9: * O T QE LYS+ 111 - HG3 LYS+ 111 33.333% * 99.8841% (1.00 10.0 10.00 5.41 283.24) = 99.884% kept HB2 PHE 45 - HG3 LYS+ 111 33.333% * 0.0881% (0.88 1.0 1.00 0.02 1.41) = 0.088% HB2 CYS 21 - HG3 LYS+ 111 33.333% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1398 (4.53, 1.69, 29.56 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 5.97, residual support = 282.7: * T HA LYS+ 111 - HD2 LYS+ 111 25.000% * 99.7933% (1.00 10.00 5.98 283.24) = 99.793% kept T HA LYS+ 111 - QD LYS+ 102 25.000% * 0.1631% (0.16 10.00 0.02 0.02) = 0.163% HA PRO 52 - HD2 LYS+ 111 25.000% * 0.0375% (0.38 1.00 0.02 0.02) = 0.037% HA PRO 52 - QD LYS+ 102 25.000% * 0.0061% (0.06 1.00 0.02 0.02) = 0.006% Peak 1399 (2.02, 1.69, 29.56 ppm): 16 chemical-shift based assignments, quality = 0.992, support = 6.61, residual support = 280.8: * O T HB2 LYS+ 111 - HD2 LYS+ 111 6.250% * 99.1545% (1.00 10.0 10.00 6.67 283.24) = 99.154% kept T HG3 GLN 30 - HD2 LYS+ 111 6.250% * 0.1962% (0.20 1.0 10.00 0.02 0.02) = 0.196% T HB2 LYS+ 111 - QD LYS+ 102 6.250% * 0.1621% (0.16 1.0 10.00 0.02 0.02) = 0.162% QB GLU- 15 - HD2 LYS+ 111 6.250% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB2 GLN 17 - HD2 LYS+ 111 6.250% * 0.0972% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - HD2 LYS+ 111 6.250% * 0.0776% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 PRO 68 - HD2 LYS+ 111 6.250% * 0.0720% (0.73 1.0 1.00 0.02 0.02) = 0.072% T HG3 GLN 30 - QD LYS+ 102 6.250% * 0.0321% (0.03 1.0 10.00 0.02 0.02) = 0.032% QB GLU- 114 - HD2 LYS+ 111 6.250% * 0.0276% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB ILE 19 - HD2 LYS+ 111 6.250% * 0.0196% (0.20 1.0 1.00 0.02 0.02) = 0.020% HB2 GLN 17 - QD LYS+ 102 6.250% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB GLU- 15 - QD LYS+ 102 6.250% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 GLU- 25 - QD LYS+ 102 6.250% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% HB3 PRO 68 - QD LYS+ 102 6.250% * 0.0118% (0.12 1.0 1.00 0.02 0.02) = 0.012% QB GLU- 114 - QD LYS+ 102 6.250% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% HB ILE 19 - QD LYS+ 102 6.250% * 0.0032% (0.03 1.0 1.00 0.02 3.68) = 0.003% Peak 1400 (1.33, 1.69, 29.56 ppm): 20 chemical-shift based assignments, quality = 0.991, support = 5.92, residual support = 280.6: * O T HG2 LYS+ 111 - HD2 LYS+ 111 5.000% * 99.0633% (1.00 10.0 10.00 5.98 283.24) = 99.063% kept T HG2 LYS+ 111 - QD LYS+ 102 5.000% * 0.1620% (0.16 1.0 10.00 0.02 0.02) = 0.162% T HG2 LYS+ 99 - QD LYS+ 102 5.000% * 0.1268% (0.13 1.0 10.00 0.02 0.02) = 0.127% T HG2 LYS+ 38 - QD LYS+ 102 5.000% * 0.0982% (0.10 1.0 10.00 0.02 0.66) = 0.098% HB2 LEU 31 - HD2 LYS+ 111 5.000% * 0.0971% (0.98 1.0 1.00 0.02 0.02) = 0.097% HB3 LEU 80 - HD2 LYS+ 111 5.000% * 0.0827% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG2 LYS+ 99 - HD2 LYS+ 111 5.000% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 63 - HD2 LYS+ 111 5.000% * 0.0661% (0.67 1.0 1.00 0.02 0.35) = 0.066% HG2 LYS+ 38 - HD2 LYS+ 111 5.000% * 0.0601% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 ASP- 44 - HD2 LYS+ 111 5.000% * 0.0482% (0.49 1.0 1.00 0.02 0.27) = 0.048% QB ALA 124 - HD2 LYS+ 111 5.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB ALA 88 - HD2 LYS+ 111 5.000% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - HD2 LYS+ 111 5.000% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB2 LEU 31 - QD LYS+ 102 5.000% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 80 - QD LYS+ 102 5.000% * 0.0135% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB2 LEU 63 - QD LYS+ 102 5.000% * 0.0108% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB3 ASP- 44 - QD LYS+ 102 5.000% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% QB ALA 124 - QD LYS+ 102 5.000% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% QB ALA 88 - QD LYS+ 102 5.000% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% HG LEU 98 - QD LYS+ 102 5.000% * 0.0027% (0.03 1.0 1.00 0.02 0.16) = 0.003% Peak 1401 (1.22, 1.69, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.4, residual support = 282.4: * O T HG3 LYS+ 111 - HD2 LYS+ 111 16.667% * 99.7042% (1.00 10.0 10.00 5.41 283.24) = 99.704% kept T HG3 LYS+ 111 - QD LYS+ 102 16.667% * 0.1630% (0.16 1.0 10.00 0.02 0.02) = 0.163% HG12 ILE 89 - HD2 LYS+ 111 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.52) = 0.098% HB3 LEU 71 - HD2 LYS+ 111 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG12 ILE 89 - QD LYS+ 102 16.667% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 71 - QD LYS+ 102 16.667% * 0.0027% (0.03 1.0 1.00 0.02 0.02) = 0.003% Peak 1402 (1.69, 1.69, 29.56 ppm): 2 diagonal assignments: * HD2 LYS+ 111 - HD2 LYS+ 111 (1.00) kept QD LYS+ 102 - QD LYS+ 102 (0.07) kept Peak 1403 (1.64, 1.69, 29.56 ppm): 10 chemical-shift based assignments, quality = 0.979, support = 4.89, residual support = 277.2: * O T HD3 LYS+ 111 - HD2 LYS+ 111 10.000% * 97.8683% (1.00 10.0 10.00 5.00 283.24) = 97.868% kept T HB3 LEU 123 - HD2 LYS+ 111 10.000% * 0.7660% (0.78 1.0 10.00 0.02 0.02) = 0.766% T QD LYS+ 33 - HD2 LYS+ 111 10.000% * 0.7660% (0.78 1.0 10.00 0.02 0.02) = 0.766% T HD3 LYS+ 111 - QD LYS+ 102 10.000% * 0.1600% (0.16 1.0 10.00 0.02 0.02) = 0.160% T QD LYS+ 33 - QD LYS+ 102 10.000% * 0.1252% (0.13 1.0 10.00 0.02 0.02) = 0.125% T HB3 LEU 123 - QD LYS+ 102 10.000% * 0.1252% (0.13 1.0 10.00 0.02 0.02) = 0.125% QB ALA 57 - HD2 LYS+ 111 10.000% * 0.0974% (1.00 1.0 1.00 0.02 0.02) = 0.097% HD2 LYS+ 74 - HD2 LYS+ 111 10.000% * 0.0653% (0.67 1.0 1.00 0.02 0.02) = 0.065% QB ALA 57 - QD LYS+ 102 10.000% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% HD2 LYS+ 74 - QD LYS+ 102 10.000% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% Peak 1404 (3.06, 1.69, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 282.4: * O T QE LYS+ 111 - HD2 LYS+ 111 16.667% * 99.7024% (1.00 10.0 10.00 5.00 283.24) = 99.702% kept T QE LYS+ 111 - QD LYS+ 102 16.667% * 0.1630% (0.16 1.0 10.00 0.02 0.02) = 0.163% HB2 PHE 45 - HD2 LYS+ 111 16.667% * 0.0880% (0.88 1.0 1.00 0.02 1.41) = 0.088% HB2 CYS 21 - HD2 LYS+ 111 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 PHE 45 - QD LYS+ 102 16.667% * 0.0144% (0.14 1.0 1.00 0.02 0.02) = 0.014% HB2 CYS 21 - QD LYS+ 102 16.667% * 0.0045% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 1405 (4.53, 1.64, 29.56 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 5.93, residual support = 280.9: * T HA LYS+ 111 - HD3 LYS+ 111 25.000% * 99.1582% (1.00 10.00 5.98 283.24) = 99.158% kept T HA LYS+ 111 - QD LYS+ 33 25.000% * 0.7755% (0.78 10.00 0.02 0.02) = 0.775% HA PRO 52 - HD3 LYS+ 111 25.000% * 0.0372% (0.38 1.00 0.02 0.02) = 0.037% HA PRO 52 - QD LYS+ 33 25.000% * 0.0291% (0.29 1.00 0.02 0.02) = 0.029% Peak 1406 (2.02, 1.64, 29.56 ppm): 16 chemical-shift based assignments, quality = 0.982, support = 6.55, residual support = 278.1: * O T HB2 LYS+ 111 - HD3 LYS+ 111 6.250% * 98.1954% (1.00 10.0 10.00 6.67 283.24) = 98.195% kept T HB2 LYS+ 111 - QD LYS+ 33 6.250% * 0.7680% (0.78 1.0 10.00 0.02 0.02) = 0.768% T HG3 GLN 30 - HD3 LYS+ 111 6.250% * 0.1943% (0.20 1.0 10.00 0.02 0.02) = 0.194% T HG3 GLN 30 - QD LYS+ 33 6.250% * 0.1520% (0.15 1.0 10.00 0.02 0.02) = 0.152% QB GLU- 15 - HD3 LYS+ 111 6.250% * 0.0963% (0.98 1.0 1.00 0.02 0.02) = 0.096% HB2 GLN 17 - HD3 LYS+ 111 6.250% * 0.0963% (0.98 1.0 1.00 0.02 0.02) = 0.096% HB3 GLU- 25 - HD3 LYS+ 111 6.250% * 0.0769% (0.78 1.0 1.00 0.02 0.02) = 0.077% HB2 GLN 17 - QD LYS+ 33 6.250% * 0.0753% (0.77 1.0 1.00 0.02 0.02) = 0.075% QB GLU- 15 - QD LYS+ 33 6.250% * 0.0753% (0.77 1.0 1.00 0.02 0.02) = 0.075% HB3 PRO 68 - HD3 LYS+ 111 6.250% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HB3 GLU- 25 - QD LYS+ 33 6.250% * 0.0601% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 PRO 68 - QD LYS+ 33 6.250% * 0.0558% (0.57 1.0 1.00 0.02 0.02) = 0.056% QB GLU- 114 - HD3 LYS+ 111 6.250% * 0.0273% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB GLU- 114 - QD LYS+ 33 6.250% * 0.0214% (0.22 1.0 1.00 0.02 0.02) = 0.021% HB ILE 19 - HD3 LYS+ 111 6.250% * 0.0194% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB ILE 19 - QD LYS+ 33 6.250% * 0.0152% (0.15 1.0 1.00 0.02 0.02) = 0.015% Peak 1407 (1.33, 1.64, 29.56 ppm): 20 chemical-shift based assignments, quality = 0.978, support = 5.73, residual support = 270.5: * O T HG2 LYS+ 111 - HD3 LYS+ 111 5.000% * 95.5023% (1.00 10.0 10.00 5.98 283.24) = 95.502% kept HB2 LEU 31 - QD LYS+ 33 5.000% * 2.9790% (0.77 1.0 1.00 0.81 0.15) = 2.979% kept T HG2 LYS+ 111 - QD LYS+ 33 5.000% * 0.7469% (0.78 1.0 10.00 0.02 0.02) = 0.747% HB2 LEU 31 - HD3 LYS+ 111 5.000% * 0.0936% (0.98 1.0 1.00 0.02 0.02) = 0.094% HB3 LEU 80 - HD3 LYS+ 111 5.000% * 0.0798% (0.84 1.0 1.00 0.02 0.02) = 0.080% HG2 LYS+ 99 - HD3 LYS+ 111 5.000% * 0.0748% (0.78 1.0 1.00 0.02 0.02) = 0.075% HB2 LEU 63 - HD3 LYS+ 111 5.000% * 0.0637% (0.67 1.0 1.00 0.02 0.35) = 0.064% HB3 LEU 80 - QD LYS+ 33 5.000% * 0.0624% (0.65 1.0 1.00 0.02 1.16) = 0.062% HG2 LYS+ 99 - QD LYS+ 33 5.000% * 0.0585% (0.61 1.0 1.00 0.02 0.02) = 0.058% HG2 LYS+ 38 - HD3 LYS+ 111 5.000% * 0.0579% (0.61 1.0 1.00 0.02 0.02) = 0.058% HB2 LEU 63 - QD LYS+ 33 5.000% * 0.0498% (0.52 1.0 1.00 0.02 0.02) = 0.050% HB3 ASP- 44 - HD3 LYS+ 111 5.000% * 0.0465% (0.49 1.0 1.00 0.02 0.27) = 0.046% HG2 LYS+ 38 - QD LYS+ 33 5.000% * 0.0453% (0.47 1.0 1.00 0.02 0.02) = 0.045% HB3 ASP- 44 - QD LYS+ 33 5.000% * 0.0364% (0.38 1.0 1.00 0.02 0.02) = 0.036% QB ALA 124 - HD3 LYS+ 111 5.000% * 0.0266% (0.28 1.0 1.00 0.02 0.02) = 0.027% QB ALA 124 - QD LYS+ 33 5.000% * 0.0208% (0.22 1.0 1.00 0.02 0.02) = 0.021% QB ALA 88 - HD3 LYS+ 111 5.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - HD3 LYS+ 111 5.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% QB ALA 88 - QD LYS+ 33 5.000% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% HG LEU 98 - QD LYS+ 33 5.000% * 0.0123% (0.13 1.0 1.00 0.02 0.02) = 0.012% Peak 1408 (1.22, 1.64, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 5.36, residual support = 280.5: * O T HG3 LYS+ 111 - HD3 LYS+ 111 16.667% * 99.0236% (1.00 10.0 10.00 5.41 283.24) = 99.024% kept T HG3 LYS+ 111 - QD LYS+ 33 16.667% * 0.7744% (0.78 1.0 10.00 0.02 0.02) = 0.774% HG12 ILE 89 - HD3 LYS+ 111 16.667% * 0.0971% (0.98 1.0 1.00 0.02 0.52) = 0.097% HG12 ILE 89 - QD LYS+ 33 16.667% * 0.0759% (0.77 1.0 1.00 0.02 0.02) = 0.076% HB3 LEU 71 - HD3 LYS+ 111 16.667% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% HB3 LEU 71 - QD LYS+ 33 16.667% * 0.0127% (0.13 1.0 1.00 0.02 0.02) = 0.013% Peak 1409 (1.69, 1.64, 29.56 ppm): 16 chemical-shift based assignments, quality = 0.966, support = 4.83, residual support = 273.5: * O T HD2 LYS+ 111 - HD3 LYS+ 111 6.250% * 96.5764% (1.00 10.0 10.00 5.00 283.24) = 96.576% kept T HB2 LEU 123 - HD3 LYS+ 111 6.250% * 0.7559% (0.78 1.0 10.00 0.02 0.02) = 0.756% T HD2 LYS+ 111 - QD LYS+ 33 6.250% * 0.7553% (0.78 1.0 10.00 0.02 0.02) = 0.755% T HB2 LEU 123 - QD LYS+ 33 6.250% * 0.5912% (0.61 1.0 10.00 0.02 0.02) = 0.591% T QD LYS+ 102 - HD3 LYS+ 111 6.250% * 0.4149% (0.43 1.0 10.00 0.02 0.02) = 0.415% T QD LYS+ 102 - QD LYS+ 33 6.250% * 0.3244% (0.34 1.0 10.00 0.02 0.02) = 0.324% HB3 MET 92 - HD3 LYS+ 111 6.250% * 0.0923% (0.96 1.0 1.00 0.02 0.02) = 0.092% HB2 LEU 73 - HD3 LYS+ 111 6.250% * 0.0756% (0.78 1.0 1.00 0.02 0.11) = 0.076% HB3 MET 92 - QD LYS+ 33 6.250% * 0.0722% (0.75 1.0 1.00 0.02 0.02) = 0.072% HG3 PRO 93 - HD3 LYS+ 111 6.250% * 0.0701% (0.73 1.0 1.00 0.02 0.02) = 0.070% HB2 LEU 73 - QD LYS+ 33 6.250% * 0.0591% (0.61 1.0 1.00 0.02 0.02) = 0.059% HG3 PRO 93 - QD LYS+ 33 6.250% * 0.0548% (0.57 1.0 1.00 0.02 0.02) = 0.055% QD LYS+ 106 - HD3 LYS+ 111 6.250% * 0.0470% (0.49 1.0 1.00 0.02 0.02) = 0.047% QD LYS+ 99 - HD3 LYS+ 111 6.250% * 0.0415% (0.43 1.0 1.00 0.02 0.02) = 0.041% QD LYS+ 106 - QD LYS+ 33 6.250% * 0.0368% (0.38 1.0 1.00 0.02 0.34) = 0.037% QD LYS+ 99 - QD LYS+ 33 6.250% * 0.0324% (0.34 1.0 1.00 0.02 0.02) = 0.032% Peak 1410 (1.64, 1.64, 29.56 ppm): 2 diagonal assignments: * HD3 LYS+ 111 - HD3 LYS+ 111 (1.00) kept QD LYS+ 33 - QD LYS+ 33 (0.61) kept Peak 1411 (3.06, 1.64, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 4.95, residual support = 280.5: * O T QE LYS+ 111 - HD3 LYS+ 111 16.667% * 99.0208% (1.00 10.0 10.00 5.00 283.24) = 99.021% kept T QE LYS+ 111 - QD LYS+ 33 16.667% * 0.7744% (0.78 1.0 10.00 0.02 0.02) = 0.774% HB2 PHE 45 - HD3 LYS+ 111 16.667% * 0.0874% (0.88 1.0 1.00 0.02 1.41) = 0.087% HB2 PHE 45 - QD LYS+ 33 16.667% * 0.0683% (0.69 1.0 1.00 0.02 0.02) = 0.068% HB2 CYS 21 - HD3 LYS+ 111 16.667% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB2 CYS 21 - QD LYS+ 33 16.667% * 0.0215% (0.22 1.0 1.00 0.02 0.02) = 0.022% Peak 1412 (4.53, 3.06, 42.92 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 283.1: * T HA LYS+ 111 - QE LYS+ 111 50.000% * 99.9625% (1.00 10.00 5.31 283.24) = 99.962% kept HA PRO 52 - QE LYS+ 111 50.000% * 0.0375% (0.38 1.00 0.02 0.02) = 0.038% Peak 1413 (2.02, 3.06, 42.92 ppm): 8 chemical-shift based assignments, quality = 0.994, support = 5.98, residual support = 281.6: * T HB2 LYS+ 111 - QE LYS+ 111 12.500% * 99.4111% (1.00 10.00 6.02 283.24) = 99.411% kept T HG3 GLN 30 - QE LYS+ 111 12.500% * 0.1967% (0.20 10.00 0.02 0.02) = 0.197% QB GLU- 15 - QE LYS+ 111 12.500% * 0.0974% (0.98 1.00 0.02 0.02) = 0.097% HB2 GLN 17 - QE LYS+ 111 12.500% * 0.0974% (0.98 1.00 0.02 0.02) = 0.097% HB3 GLU- 25 - QE LYS+ 111 12.500% * 0.0778% (0.78 1.00 0.02 0.02) = 0.078% HB3 PRO 68 - QE LYS+ 111 12.500% * 0.0722% (0.73 1.00 0.02 0.02) = 0.072% QB GLU- 114 - QE LYS+ 111 12.500% * 0.0276% (0.28 1.00 0.02 0.02) = 0.028% HB ILE 19 - QE LYS+ 111 12.500% * 0.0197% (0.20 1.00 0.02 0.02) = 0.020% Peak 1414 (1.33, 3.06, 42.92 ppm): 10 chemical-shift based assignments, quality = 0.995, support = 5.29, residual support = 281.8: * O T HG2 LYS+ 111 - QE LYS+ 111 10.000% * 99.5059% (1.00 10.0 10.00 5.31 283.24) = 99.506% kept HB2 LEU 31 - QE LYS+ 111 10.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 80 - QE LYS+ 111 10.000% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG2 LYS+ 99 - QE LYS+ 111 10.000% * 0.0779% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB2 LEU 63 - QE LYS+ 111 10.000% * 0.0664% (0.67 1.0 1.00 0.02 0.35) = 0.066% HG2 LYS+ 38 - QE LYS+ 111 10.000% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB3 ASP- 44 - QE LYS+ 111 10.000% * 0.0484% (0.49 1.0 1.00 0.02 0.27) = 0.048% QB ALA 124 - QE LYS+ 111 10.000% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QB ALA 88 - QE LYS+ 111 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% HG LEU 98 - QE LYS+ 111 10.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1415 (1.22, 3.06, 42.92 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.28, residual support = 275.3: * O T HG3 LYS+ 111 - QE LYS+ 111 33.333% * 97.2070% (1.00 10.0 10.00 5.41 283.24) = 97.207% kept HG12 ILE 89 - QE LYS+ 111 33.333% * 2.7770% (0.98 1.0 1.00 0.58 0.52) = 2.777% kept HB3 LEU 71 - QE LYS+ 111 33.333% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1416 (1.69, 3.06, 42.92 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 4.91, residual support = 278.0: * O T HD2 LYS+ 111 - QE LYS+ 111 12.500% * 98.1325% (1.00 10.0 10.00 5.00 283.24) = 98.133% kept HG3 PRO 93 - QE LYS+ 111 12.500% * 1.1086% (0.73 1.0 1.00 0.31 0.02) = 1.109% kept T QD LYS+ 102 - QE LYS+ 111 12.500% * 0.4215% (0.43 1.0 10.00 0.02 0.02) = 0.422% HB3 MET 92 - QE LYS+ 111 12.500% * 0.0938% (0.96 1.0 1.00 0.02 0.02) = 0.094% HB2 LEU 73 - QE LYS+ 111 12.500% * 0.0768% (0.78 1.0 1.00 0.02 0.11) = 0.077% HB2 LEU 123 - QE LYS+ 111 12.500% * 0.0768% (0.78 1.0 1.00 0.02 0.02) = 0.077% QD LYS+ 106 - QE LYS+ 111 12.500% * 0.0478% (0.49 1.0 1.00 0.02 0.02) = 0.048% QD LYS+ 99 - QE LYS+ 111 12.500% * 0.0422% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 1417 (1.64, 3.06, 42.92 ppm): 5 chemical-shift based assignments, quality = 0.99, support = 4.95, residual support = 280.4: * O T HD3 LYS+ 111 - QE LYS+ 111 20.000% * 98.9833% (1.00 10.0 10.00 5.00 283.24) = 98.983% kept T QD LYS+ 33 - QE LYS+ 111 20.000% * 0.7747% (0.78 1.0 10.00 0.02 0.02) = 0.775% QB ALA 57 - QE LYS+ 111 20.000% * 0.0985% (1.00 1.0 1.00 0.02 0.02) = 0.098% HB3 LEU 123 - QE LYS+ 111 20.000% * 0.0775% (0.78 1.0 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - QE LYS+ 111 20.000% * 0.0660% (0.67 1.0 1.00 0.02 0.02) = 0.066% 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): 10 chemical-shift based assignments, quality = 0.985, support = 5.58, residual support = 173.8: * O T HB2 LYS+ 112 - HA LYS+ 112 10.000% * 92.2697% (1.00 10.0 10.00 5.94 188.03) = 92.270% kept HB3 LEU 73 - HA LYS+ 112 10.000% * 6.5286% (0.96 1.0 1.00 1.48 3.96) = 6.529% kept T HB VAL 42 - HA LYS+ 112 10.000% * 0.8143% (0.88 1.0 10.00 0.02 0.02) = 0.814% HG3 LYS+ 102 - HA LYS+ 112 10.000% * 0.0904% (0.98 1.0 1.00 0.02 0.02) = 0.090% HG3 LYS+ 106 - HA LYS+ 112 10.000% * 0.0882% (0.96 1.0 1.00 0.02 0.02) = 0.088% HG3 LYS+ 65 - HA LYS+ 112 10.000% * 0.0814% (0.88 1.0 1.00 0.02 0.02) = 0.081% HG3 LYS+ 33 - HA LYS+ 112 10.000% * 0.0722% (0.78 1.0 1.00 0.02 0.02) = 0.072% QB ALA 12 - HA LYS+ 112 10.000% * 0.0218% (0.24 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - HA LYS+ 112 10.000% * 0.0183% (0.20 1.0 1.00 0.02 0.02) = 0.018% QB ALA 84 - HA LYS+ 112 10.000% * 0.0152% (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 = 0.985, support = 5.74, residual support = 182.8: * O T HG2 LYS+ 112 - HA LYS+ 112 33.333% * 97.2164% (1.00 10.0 10.00 5.87 188.03) = 97.216% kept QB ALA 47 - HA LYS+ 112 33.333% * 2.7188% (0.49 1.0 1.00 1.15 0.02) = 2.719% kept QG1 VAL 42 - HA LYS+ 112 33.333% * 0.0648% (0.67 1.0 1.00 0.02 0.02) = 0.065% Peak 1422 (1.05, 3.46, 61.33 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.63, residual support = 187.9: * O T HG3 LYS+ 112 - HA LYS+ 112 33.333% * 99.9130% (1.00 10.0 10.00 5.63 188.03) = 99.913% kept HG LEU 63 - HA LYS+ 112 33.333% * 0.0546% (0.55 1.0 1.00 0.02 0.20) = 0.055% QG2 VAL 24 - HA LYS+ 112 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 1423 (1.20, 3.46, 61.33 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 5.53, residual support = 187.8: * T HD2 LYS+ 112 - HA LYS+ 112 25.000% * 64.6136% (1.00 1.0 10.00 5.18 188.03) = 64.614% kept O T HB3 LYS+ 112 - HA LYS+ 112 25.000% * 35.2838% (0.55 10.0 10.00 6.19 188.03) = 35.284% kept HB3 LEU 71 - HA LYS+ 112 25.000% * 0.0633% (0.98 1.0 1.00 0.02 0.02) = 0.063% QG2 THR 94 - HA LYS+ 112 25.000% * 0.0392% (0.61 1.0 1.00 0.02 0.43) = 0.039% Peak 1424 (3.46, 1.37, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.99, support = 5.88, residual support = 186.2: * O T HA LYS+ 112 - HB2 LYS+ 112 16.667% * 99.0164% (1.00 10.0 10.00 5.94 188.03) = 99.016% kept T HA LYS+ 112 - HB VAL 42 16.667% * 0.7787% (0.79 1.0 10.00 0.02 0.02) = 0.779% HB2 HIS 122 - HB2 LYS+ 112 16.667% * 0.0775% (0.78 1.0 1.00 0.02 0.15) = 0.078% HB2 HIS 122 - HB VAL 42 16.667% * 0.0610% (0.62 1.0 1.00 0.02 0.02) = 0.061% HB THR 46 - HB2 LYS+ 112 16.667% * 0.0372% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB THR 46 - HB VAL 42 16.667% * 0.0292% (0.30 1.0 1.00 0.02 0.23) = 0.029% 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 (0.69) kept Peak 1426 (0.36, 1.37, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.774, support = 4.67, residual support = 118.2: * O T HG2 LYS+ 112 - HB2 LYS+ 112 16.667% * 52.7531% (1.00 10.0 10.00 6.48 188.03) = 52.753% kept O T QG1 VAL 42 - HB VAL 42 16.667% * 27.6720% (0.52 10.0 10.00 4.14 68.59) = 27.672% kept T QB ALA 47 - HB2 LYS+ 112 16.667% * 9.6291% (0.49 1.0 10.00 0.75 0.02) = 9.629% kept T QG1 VAL 42 - HB2 LYS+ 112 16.667% * 6.2515% (0.67 1.0 10.00 0.36 0.02) = 6.252% kept T QB ALA 47 - HB VAL 42 16.667% * 3.2793% (0.38 1.0 10.00 0.32 0.02) = 3.279% kept T HG2 LYS+ 112 - HB VAL 42 16.667% * 0.4149% (0.79 1.0 10.00 0.02 0.02) = 0.415% Peak 1427 (1.05, 1.37, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.991, support = 5.56, residual support = 186.3: * O T HG3 LYS+ 112 - HB2 LYS+ 112 16.667% * 99.0668% (1.00 10.0 10.00 5.61 188.03) = 99.067% kept T HG3 LYS+ 112 - HB VAL 42 16.667% * 0.7791% (0.79 1.0 10.00 0.02 0.02) = 0.779% HG LEU 63 - HB2 LYS+ 112 16.667% * 0.0541% (0.55 1.0 1.00 0.02 0.20) = 0.054% HG LEU 63 - HB VAL 42 16.667% * 0.0425% (0.43 1.0 1.00 0.02 0.02) = 0.043% QG2 VAL 24 - HB2 LYS+ 112 16.667% * 0.0322% (0.32 1.0 1.00 0.02 0.02) = 0.032% QG2 VAL 24 - HB VAL 42 16.667% * 0.0253% (0.26 1.0 1.00 0.02 0.02) = 0.025% Peak 1428 (1.20, 1.37, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.832, support = 6.14, residual support = 186.2: * O T HD2 LYS+ 112 - HB2 LYS+ 112 12.500% * 64.0587% (1.00 10.0 10.00 5.85 188.03) = 64.059% kept O T HB3 LYS+ 112 - HB2 LYS+ 112 12.500% * 34.9808% (0.55 10.0 10.00 6.84 188.03) = 34.981% kept T HD2 LYS+ 112 - HB VAL 42 12.500% * 0.5038% (0.79 1.0 10.00 0.02 0.02) = 0.504% T HB3 LYS+ 112 - HB VAL 42 12.500% * 0.2751% (0.43 1.0 10.00 0.02 0.02) = 0.275% HB3 LEU 71 - HB2 LYS+ 112 12.500% * 0.0628% (0.98 1.0 1.00 0.02 0.02) = 0.063% HB3 LEU 71 - HB VAL 42 12.500% * 0.0494% (0.77 1.0 1.00 0.02 0.02) = 0.049% QG2 THR 94 - HB2 LYS+ 112 12.500% * 0.0389% (0.61 1.0 1.00 0.02 0.43) = 0.039% QG2 THR 94 - HB VAL 42 12.500% * 0.0306% (0.48 1.0 1.00 0.02 0.02) = 0.031% Peak 1429 (3.46, 0.36, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.87, residual support = 187.8: * O T HA LYS+ 112 - HG2 LYS+ 112 33.333% * 99.8843% (1.00 10.0 10.00 5.87 188.03) = 99.884% kept HB2 HIS 122 - HG2 LYS+ 112 33.333% * 0.0782% (0.78 1.0 1.00 0.02 0.15) = 0.078% HB THR 46 - HG2 LYS+ 112 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1430 (1.37, 0.36, 25.56 ppm): 10 chemical-shift based assignments, quality = 0.987, support = 6.28, residual support = 182.0: * O T HB2 LYS+ 112 - HG2 LYS+ 112 10.000% * 96.7293% (1.00 10.0 10.00 6.48 188.03) = 96.729% kept HB3 LEU 73 - HG2 LYS+ 112 10.000% * 2.0108% (0.96 1.0 1.00 0.43 3.96) = 2.011% kept T HB VAL 42 - HG2 LYS+ 112 10.000% * 0.8536% (0.88 1.0 10.00 0.02 0.02) = 0.854% HG3 LYS+ 102 - HG2 LYS+ 112 10.000% * 0.0948% (0.98 1.0 1.00 0.02 0.02) = 0.095% HG3 LYS+ 106 - HG2 LYS+ 112 10.000% * 0.0925% (0.96 1.0 1.00 0.02 0.02) = 0.092% HG3 LYS+ 65 - HG2 LYS+ 112 10.000% * 0.0854% (0.88 1.0 1.00 0.02 0.02) = 0.085% HG3 LYS+ 33 - HG2 LYS+ 112 10.000% * 0.0757% (0.78 1.0 1.00 0.02 0.02) = 0.076% QB ALA 12 - HG2 LYS+ 112 10.000% * 0.0228% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 93 - HG2 LYS+ 112 10.000% * 0.0191% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB ALA 84 - HG2 LYS+ 112 10.000% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 3 chemical-shift based assignments, quality = 0.995, support = 6.76, residual support = 187.2: * O T HG3 LYS+ 112 - HG2 LYS+ 112 33.333% * 99.5362% (1.00 10.0 10.00 6.79 188.03) = 99.536% kept HG LEU 63 - HG2 LYS+ 112 33.333% * 0.4315% (0.55 1.0 1.00 0.16 0.20) = 0.431% QG2 VAL 24 - HG2 LYS+ 112 33.333% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 1433 (1.20, 0.36, 25.56 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 6.34, residual support = 187.8: * O T HD2 LYS+ 112 - HG2 LYS+ 112 25.000% * 64.6136% (1.00 10.0 10.00 6.26 188.03) = 64.614% kept O T HB3 LYS+ 112 - HG2 LYS+ 112 25.000% * 35.2838% (0.55 10.0 10.00 6.49 188.03) = 35.284% kept HB3 LEU 71 - HG2 LYS+ 112 25.000% * 0.0633% (0.98 1.0 1.00 0.02 0.02) = 0.063% QG2 THR 94 - HG2 LYS+ 112 25.000% * 0.0392% (0.61 1.0 1.00 0.02 0.43) = 0.039% Peak 1434 (3.46, 1.05, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.63, residual support = 187.8: * O T HA LYS+ 112 - HG3 LYS+ 112 33.333% * 99.8843% (1.00 10.0 10.00 5.63 188.03) = 99.884% kept HB2 HIS 122 - HG3 LYS+ 112 33.333% * 0.0782% (0.78 1.0 1.00 0.02 0.15) = 0.078% HB THR 46 - HG3 LYS+ 112 33.333% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 1435 (1.37, 1.05, 25.56 ppm): 10 chemical-shift based assignments, quality = 0.982, support = 5.36, residual support = 178.7: * O T HB2 LYS+ 112 - HG3 LYS+ 112 10.000% * 94.9681% (1.00 10.0 10.00 5.61 188.03) = 94.968% kept HB3 LEU 73 - HG3 LYS+ 112 10.000% * 3.4046% (0.96 1.0 1.00 0.75 3.96) = 3.405% kept T HB VAL 42 - HG3 LYS+ 112 10.000% * 0.8381% (0.88 1.0 10.00 0.02 0.02) = 0.838% HG3 LYS+ 65 - HG3 LYS+ 112 10.000% * 0.4742% (0.88 1.0 1.00 0.11 0.02) = 0.474% HG3 LYS+ 102 - HG3 LYS+ 112 10.000% * 0.0931% (0.98 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 106 - HG3 LYS+ 112 10.000% * 0.0908% (0.96 1.0 1.00 0.02 0.02) = 0.091% HG3 LYS+ 33 - HG3 LYS+ 112 10.000% * 0.0743% (0.78 1.0 1.00 0.02 0.02) = 0.074% QB ALA 12 - HG3 LYS+ 112 10.000% * 0.0224% (0.24 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - HG3 LYS+ 112 10.000% * 0.0188% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB ALA 84 - HG3 LYS+ 112 10.000% * 0.0156% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1436 (0.36, 1.05, 25.56 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.78, residual support = 187.8: * O T HG2 LYS+ 112 - HG3 LYS+ 112 33.333% * 99.8848% (1.00 10.0 10.00 6.79 188.03) = 99.885% kept QG1 VAL 42 - HG3 LYS+ 112 33.333% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% QB ALA 47 - HG3 LYS+ 112 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% 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): 4 chemical-shift based assignments, quality = 0.839, support = 5.9, residual support = 187.8: * O T HD2 LYS+ 112 - HG3 LYS+ 112 25.000% * 64.6136% (1.00 10.0 10.00 5.53 188.03) = 64.614% kept O HB3 LYS+ 112 - HG3 LYS+ 112 25.000% * 35.2838% (0.55 10.0 1.00 6.60 188.03) = 35.284% kept HB3 LEU 71 - HG3 LYS+ 112 25.000% * 0.0633% (0.98 1.0 1.00 0.02 0.02) = 0.063% QG2 THR 94 - HG3 LYS+ 112 25.000% * 0.0392% (0.61 1.0 1.00 0.02 0.43) = 0.039% Peak 1439 (3.46, 1.20, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.17, residual support = 187.8: * T HA LYS+ 112 - HD2 LYS+ 112 33.333% * 99.8843% (1.00 10.00 5.18 188.03) = 99.884% kept HB2 HIS 122 - HD2 LYS+ 112 33.333% * 0.0782% (0.78 1.00 0.02 0.15) = 0.078% HB THR 46 - HD2 LYS+ 112 33.333% * 0.0375% (0.38 1.00 0.02 0.02) = 0.037% Peak 1440 (1.37, 1.20, 29.98 ppm): 10 chemical-shift based assignments, quality = 0.977, support = 5.71, residual support = 183.8: * O T HB2 LYS+ 112 - HD2 LYS+ 112 10.000% * 97.7495% (1.00 10.0 10.00 5.85 188.03) = 97.749% kept HB3 LEU 73 - HD2 LYS+ 112 10.000% * 0.9774% (0.96 1.0 1.00 0.21 3.96) = 0.977% T HB VAL 42 - HD2 LYS+ 112 10.000% * 0.8626% (0.88 1.0 10.00 0.02 0.02) = 0.863% HG3 LYS+ 102 - HD2 LYS+ 112 10.000% * 0.0958% (0.98 1.0 1.00 0.02 0.02) = 0.096% HG3 LYS+ 106 - HD2 LYS+ 112 10.000% * 0.0934% (0.96 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 65 - HD2 LYS+ 112 10.000% * 0.0863% (0.88 1.0 1.00 0.02 0.02) = 0.086% HG3 LYS+ 33 - HD2 LYS+ 112 10.000% * 0.0765% (0.78 1.0 1.00 0.02 0.02) = 0.077% QB ALA 12 - HD2 LYS+ 112 10.000% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% HB3 PRO 93 - HD2 LYS+ 112 10.000% * 0.0193% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB ALA 84 - HD2 LYS+ 112 10.000% * 0.0161% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1441 (0.36, 1.20, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.26, residual support = 187.8: * O T HG2 LYS+ 112 - HD2 LYS+ 112 33.333% * 99.8848% (1.00 10.0 10.00 6.26 188.03) = 99.885% kept QG1 VAL 42 - HD2 LYS+ 112 33.333% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% QB ALA 47 - HD2 LYS+ 112 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 1442 (1.05, 1.20, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.996, support = 5.5, residual support = 187.2: * O T HG3 LYS+ 112 - HD2 LYS+ 112 33.333% * 99.5647% (1.00 10.0 10.00 5.53 188.03) = 99.565% kept HG LEU 63 - HD2 LYS+ 112 33.333% * 0.4030% (0.55 1.0 1.00 0.15 0.20) = 0.403% QG2 VAL 24 - HD2 LYS+ 112 33.333% * 0.0323% (0.32 1.0 1.00 0.02 0.02) = 0.032% 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 = 13.4: * O T QB ASP- 113 - HA ASP- 113 100.000% *100.0000% (1.00 10.0 10.00 2.00 13.36) = 100.000% kept Peak 1446 (4.37, 2.68, 39.79 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 13.3: * O T HA ASP- 113 - QB ASP- 113 16.667% * 99.8018% (1.00 10.0 10.00 2.00 13.36) = 99.802% kept HA LYS+ 99 - QB ASP- 113 16.667% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HA ASN 35 - QB ASP- 113 16.667% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HA ILE 56 - QB ASP- 113 16.667% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA PHE 59 - QB ASP- 113 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HA LEU 123 - QB ASP- 113 16.667% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% 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 (0.12) kept Peak 1449 (2.00, 4.14, 59.59 ppm): 14 chemical-shift based assignments, quality = 0.773, support = 3.4, residual support = 25.9: * O T QB GLU- 114 - HA GLU- 114 7.143% * 77.3052% (0.92 10.0 10.00 3.09 28.68) = 77.305% kept T QB GLU- 114 - HA LEU 115 7.143% * 22.2479% (0.27 1.0 10.00 4.56 16.54) = 22.248% kept HB3 GLU- 25 - HA GLU- 114 7.143% * 0.0739% (0.88 1.0 1.00 0.02 0.36) = 0.074% HB ILE 19 - HA GLU- 114 7.143% * 0.0699% (0.84 1.0 1.00 0.02 0.02) = 0.070% HG2 PRO 68 - HA GLU- 114 7.143% * 0.0608% (0.73 1.0 1.00 0.02 0.02) = 0.061% QB GLU- 15 - HA GLU- 114 7.143% * 0.0508% (0.61 1.0 1.00 0.02 0.02) = 0.051% HB2 GLN 17 - HA GLU- 114 7.143% * 0.0508% (0.61 1.0 1.00 0.02 0.02) = 0.051% HB2 LYS+ 111 - HA GLU- 114 7.143% * 0.0408% (0.49 1.0 1.00 0.02 0.02) = 0.041% HB3 GLU- 25 - HA LEU 115 7.143% * 0.0213% (0.25 1.0 1.00 0.02 0.02) = 0.021% HB ILE 19 - HA LEU 115 7.143% * 0.0201% (0.24 1.0 1.00 0.02 0.02) = 0.020% HG2 PRO 68 - HA LEU 115 7.143% * 0.0175% (0.21 1.0 1.00 0.02 0.02) = 0.018% QB GLU- 15 - HA LEU 115 7.143% * 0.0146% (0.17 1.0 1.00 0.02 0.02) = 0.015% HB2 GLN 17 - HA LEU 115 7.143% * 0.0146% (0.17 1.0 1.00 0.02 0.02) = 0.015% HB2 LYS+ 111 - HA LEU 115 7.143% * 0.0117% (0.14 1.0 1.00 0.02 0.02) = 0.012% Peak 1450 (2.31, 4.14, 59.59 ppm): 12 chemical-shift based assignments, quality = 0.827, support = 2.67, residual support = 25.7: * O T QG GLU- 114 - HA GLU- 114 8.333% * 76.7437% (1.00 10.0 10.00 2.31 28.68) = 76.744% kept T QG GLU- 114 - HA LEU 115 8.333% * 22.0863% (0.29 1.0 10.00 4.08 16.54) = 22.086% kept HG2 PRO 52 - HA GLU- 114 8.333% * 0.8481% (0.43 1.0 1.00 0.51 0.02) = 0.848% HG3 GLU- 36 - HA GLU- 114 8.333% * 0.0767% (1.00 1.0 1.00 0.02 0.02) = 0.077% HG2 MET 92 - HA GLU- 114 8.333% * 0.0767% (1.00 1.0 1.00 0.02 0.02) = 0.077% HB2 GLU- 79 - HA GLU- 114 8.333% * 0.0737% (0.96 1.0 1.00 0.02 0.02) = 0.074% HG3 GLU- 36 - HA LEU 115 8.333% * 0.0221% (0.29 1.0 1.00 0.02 0.02) = 0.022% HG2 MET 92 - HA LEU 115 8.333% * 0.0221% (0.29 1.0 1.00 0.02 0.02) = 0.022% HB2 GLU- 79 - HA LEU 115 8.333% * 0.0212% (0.28 1.0 1.00 0.02 0.02) = 0.021% HG3 GLU- 25 - HA GLU- 114 8.333% * 0.0153% (0.20 1.0 1.00 0.02 0.36) = 0.015% HG2 PRO 52 - HA LEU 115 8.333% * 0.0095% (0.12 1.0 1.00 0.02 0.02) = 0.010% HG3 GLU- 25 - HA LEU 115 8.333% * 0.0044% (0.06 1.0 1.00 0.02 0.02) = 0.004% Peak 1451 (4.14, 2.00, 29.90 ppm): 6 chemical-shift based assignments, quality = 0.763, support = 3.52, residual support = 25.0: * O T HA GLU- 114 - QB GLU- 114 16.667% * 69.8232% (0.92 10.0 10.00 3.09 28.68) = 69.823% kept T HA LEU 115 - QB GLU- 114 16.667% * 29.9930% (0.40 1.0 10.00 4.56 16.54) = 29.993% kept HA1 GLY 101 - QB GLU- 114 16.667% * 0.0645% (0.85 1.0 1.00 0.02 0.02) = 0.064% HA THR 26 - QB GLU- 114 16.667% * 0.0466% (0.62 1.0 1.00 0.02 0.02) = 0.047% HA ALA 34 - QB GLU- 114 16.667% * 0.0466% (0.62 1.0 1.00 0.02 0.02) = 0.047% HA ASN 28 - QB GLU- 114 16.667% * 0.0262% (0.35 1.0 1.00 0.02 0.02) = 0.026% Peak 1452 (2.00, 2.00, 29.90 ppm): 1 diagonal assignment: * QB GLU- 114 - QB GLU- 114 (0.85) kept Peak 1453 (2.31, 2.00, 29.90 ppm): 6 chemical-shift based assignments, quality = 0.908, support = 2.4, residual support = 28.2: * O T QG GLU- 114 - QB GLU- 114 16.667% * 98.2835% (0.92 10.0 10.00 2.44 28.68) = 98.283% kept HG2 PRO 52 - QB GLU- 114 16.667% * 1.2301% (0.40 1.0 1.00 0.58 0.02) = 1.230% kept T HG3 GLU- 25 - QB GLU- 114 16.667% * 0.1955% (0.18 1.0 10.00 0.02 0.36) = 0.195% HG2 MET 92 - QB GLU- 114 16.667% * 0.0983% (0.92 1.0 1.00 0.02 0.02) = 0.098% HG3 GLU- 36 - QB GLU- 114 16.667% * 0.0983% (0.92 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - QB GLU- 114 16.667% * 0.0944% (0.88 1.0 1.00 0.02 0.02) = 0.094% Peak 1454 (4.14, 2.31, 37.32 ppm): 6 chemical-shift based assignments, quality = 0.823, support = 2.84, residual support = 25.0: * O T HA GLU- 114 - QG GLU- 114 16.667% * 69.8232% (1.00 10.0 10.00 2.31 28.68) = 69.823% kept T HA LEU 115 - QG GLU- 114 16.667% * 29.9930% (0.43 1.0 10.00 4.08 16.54) = 29.993% kept HA1 GLY 101 - QG GLU- 114 16.667% * 0.0645% (0.92 1.0 1.00 0.02 0.02) = 0.064% HA THR 26 - QG GLU- 114 16.667% * 0.0466% (0.66 1.0 1.00 0.02 0.02) = 0.047% HA ALA 34 - QG GLU- 114 16.667% * 0.0466% (0.66 1.0 1.00 0.02 0.02) = 0.047% HA ASN 28 - QG GLU- 114 16.667% * 0.0262% (0.37 1.0 1.00 0.02 0.02) = 0.026% Peak 1455 (2.00, 2.31, 37.32 ppm): 7 chemical-shift based assignments, quality = 0.914, support = 2.32, residual support = 27.3: * O T QB GLU- 114 - QG GLU- 114 14.286% * 95.2825% (0.92 10.0 10.00 2.44 28.68) = 95.283% kept T HB3 GLU- 25 - QG GLU- 114 14.286% * 4.3809% (0.88 1.0 10.00 0.10 0.36) = 4.381% kept HB ILE 19 - QG GLU- 114 14.286% * 0.0862% (0.83 1.0 1.00 0.02 0.02) = 0.086% HG2 PRO 68 - QG GLU- 114 14.286% * 0.0750% (0.72 1.0 1.00 0.02 0.02) = 0.075% QB GLU- 15 - QG GLU- 114 14.286% * 0.0626% (0.60 1.0 1.00 0.02 0.02) = 0.063% HB2 GLN 17 - QG GLU- 114 14.286% * 0.0626% (0.60 1.0 1.00 0.02 0.02) = 0.063% HB2 LYS+ 111 - QG GLU- 114 14.286% * 0.0502% (0.48 1.0 1.00 0.02 0.02) = 0.050% 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): 2 diagonal assignments: * HA LEU 115 - HA LEU 115 (0.44) kept HA ARG+ 54 - HA ARG+ 54 (0.35) kept Peak 1458 (1.98, 4.12, 59.41 ppm): 10 chemical-shift based assignments, quality = 0.579, support = 4.47, residual support = 112.1: * O T HB2 LEU 115 - HA LEU 115 10.000% * 65.2898% (0.67 10.0 10.00 6.00 170.66) = 65.290% kept T HB2 LEU 115 - HA ARG+ 54 10.000% * 33.9429% (0.42 1.0 10.00 1.64 1.89) = 33.943% kept HG3 PRO 58 - HA LEU 115 10.000% * 0.6186% (0.66 1.0 1.00 0.19 0.39) = 0.619% HG3 PRO 58 - HA ARG+ 54 10.000% * 0.0413% (0.42 1.0 1.00 0.02 0.02) = 0.041% HB2 LEU 67 - HA LEU 115 10.000% * 0.0396% (0.40 1.0 1.00 0.02 0.02) = 0.040% HB2 LEU 67 - HA ARG+ 54 10.000% * 0.0252% (0.26 1.0 1.00 0.02 0.23) = 0.025% HB VAL 18 - HA LEU 115 10.000% * 0.0154% (0.16 1.0 1.00 0.02 0.02) = 0.015% HG2 PRO 68 - HA LEU 115 10.000% * 0.0107% (0.11 1.0 1.00 0.02 0.02) = 0.011% HB VAL 18 - HA ARG+ 54 10.000% * 0.0098% (0.10 1.0 1.00 0.02 0.02) = 0.010% HG2 PRO 68 - HA ARG+ 54 10.000% * 0.0068% (0.07 1.0 1.00 0.02 0.97) = 0.007% Peak 1459 (1.48, 4.12, 59.41 ppm): 8 chemical-shift based assignments, quality = 0.432, support = 4.29, residual support = 121.6: * O T HG LEU 115 - HA LEU 115 12.500% * 70.9581% (0.48 10.0 10.00 5.54 170.66) = 70.958% kept T HG LEU 115 - HA ARG+ 54 12.500% * 28.7173% (0.31 1.0 10.00 1.27 1.89) = 28.717% kept HB3 LEU 40 - HA LEU 115 12.500% * 0.0958% (0.65 1.0 1.00 0.02 0.02) = 0.096% QB ALA 120 - HA LEU 115 12.500% * 0.0710% (0.48 1.0 1.00 0.02 0.02) = 0.071% HB3 LEU 40 - HA ARG+ 54 12.500% * 0.0609% (0.42 1.0 1.00 0.02 0.02) = 0.061% QB ALA 120 - HA ARG+ 54 12.500% * 0.0451% (0.31 1.0 1.00 0.02 0.02) = 0.045% HB2 LYS+ 74 - HA LEU 115 12.500% * 0.0317% (0.22 1.0 1.00 0.02 0.02) = 0.032% HB2 LYS+ 74 - HA ARG+ 54 12.500% * 0.0202% (0.14 1.0 1.00 0.02 0.02) = 0.020% Peak 1460 (0.43, 4.12, 59.41 ppm): 4 chemical-shift based assignments, quality = 0.609, support = 4.25, residual support = 129.2: * T QD1 LEU 115 - HA LEU 115 25.000% * 75.4588% (0.67 10.00 5.32 170.66) = 75.459% kept T QD1 LEU 115 - HA ARG+ 54 25.000% * 23.1711% (0.42 10.00 0.97 1.89) = 23.171% kept QG1 VAL 75 - HA LEU 115 25.000% * 1.3278% (0.59 1.00 0.40 0.02) = 1.328% kept QG1 VAL 75 - HA ARG+ 54 25.000% * 0.0423% (0.37 1.00 0.02 0.02) = 0.042% Peak 1461 (0.59, 4.12, 59.41 ppm): 10 chemical-shift based assignments, quality = 0.551, support = 4.72, residual support = 119.9: * T QD2 LEU 115 - HA LEU 115 10.000% * 69.9891% (0.62 10.00 6.34 170.66) = 69.989% kept T QD2 LEU 115 - HA ARG+ 54 10.000% * 23.5415% (0.39 10.00 1.06 1.89) = 23.542% kept QD1 LEU 63 - HA LEU 115 10.000% * 2.5701% (0.59 1.00 0.77 0.02) = 2.570% kept QD1 LEU 73 - HA LEU 115 10.000% * 2.2205% (0.59 1.00 0.66 0.02) = 2.221% kept QD1 LEU 104 - HA LEU 115 10.000% * 0.9761% (0.36 1.00 0.47 0.02) = 0.976% QD2 LEU 80 - HA LEU 115 10.000% * 0.5488% (0.59 1.00 0.16 0.11) = 0.549% QD1 LEU 73 - HA ARG+ 54 10.000% * 0.0425% (0.37 1.00 0.02 0.02) = 0.043% QD1 LEU 63 - HA ARG+ 54 10.000% * 0.0425% (0.37 1.00 0.02 0.02) = 0.043% QD2 LEU 80 - HA ARG+ 54 10.000% * 0.0425% (0.37 1.00 0.02 0.02) = 0.043% QD1 LEU 104 - HA ARG+ 54 10.000% * 0.0263% (0.23 1.00 0.02 0.02) = 0.026% Peak 1462 (4.12, 1.98, 42.01 ppm): 6 chemical-shift based assignments, quality = 0.751, support = 3.71, residual support = 82.7: T HA ARG+ 54 - HB2 LEU 115 16.667% * 49.0748% (0.84 1.0 10.00 1.64 1.89) = 49.075% kept * O T HA LEU 115 - HB2 LEU 115 16.667% * 47.8892% (0.67 10.0 10.00 6.00 170.66) = 47.889% kept HA ASN 28 - HB2 LEU 115 16.667% * 2.9430% (0.73 1.0 1.00 1.13 0.58) = 2.943% kept HA ALA 124 - HB2 LEU 115 16.667% * 0.0479% (0.67 1.0 1.00 0.02 0.02) = 0.048% HA ALA 34 - HB2 LEU 115 16.667% * 0.0308% (0.43 1.0 1.00 0.02 0.29) = 0.031% HA1 GLY 101 - HB2 LEU 115 16.667% * 0.0142% (0.20 1.0 1.00 0.02 0.02) = 0.014% 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): 4 chemical-shift based assignments, quality = 0.724, support = 5.61, residual support = 170.2: * O T HG LEU 115 - HB2 LEU 115 25.000% * 99.7211% (0.73 10.0 10.00 5.63 170.66) = 99.721% kept HB3 LEU 40 - HB2 LEU 115 25.000% * 0.1346% (0.98 1.0 1.00 0.02 0.02) = 0.135% QB ALA 120 - HB2 LEU 115 25.000% * 0.0997% (0.73 1.0 1.00 0.02 0.02) = 0.100% HB2 LYS+ 74 - HB2 LEU 115 25.000% * 0.0446% (0.32 1.0 1.00 0.02 0.02) = 0.045% Peak 1465 (0.43, 1.98, 42.01 ppm): 2 chemical-shift based assignments, quality = 0.998, support = 5.29, residual support = 167.8: * O T QD1 LEU 115 - HB2 LEU 115 50.000% * 98.3224% (1.00 10.0 10.00 5.38 170.66) = 98.322% kept QG1 VAL 75 - HB2 LEU 115 50.000% * 1.6776% (0.88 1.0 1.00 0.39 0.02) = 1.678% kept Peak 1466 (0.59, 1.98, 42.01 ppm): 5 chemical-shift based assignments, quality = 0.908, support = 5.81, residual support = 150.6: * O T QD2 LEU 115 - HB2 LEU 115 20.000% * 88.2410% (0.92 10.0 10.00 6.44 170.66) = 88.241% kept QD1 LEU 73 - HB2 LEU 115 20.000% * 6.3312% (0.88 1.0 1.00 1.50 0.02) = 6.331% kept QD1 LEU 63 - HB2 LEU 115 20.000% * 3.5365% (0.88 1.0 1.00 0.84 0.02) = 3.537% kept QD1 LEU 104 - HB2 LEU 115 20.000% * 1.1994% (0.55 1.0 1.00 0.46 0.02) = 1.199% kept QD2 LEU 80 - HB2 LEU 115 20.000% * 0.6919% (0.88 1.0 1.00 0.16 0.11) = 0.692% Peak 1467 (4.12, 1.48, 26.92 ppm): 6 chemical-shift based assignments, quality = 0.538, support = 3.57, residual support = 93.3: * O T HA LEU 115 - HG LEU 115 16.667% * 54.2061% (0.48 10.0 10.00 5.54 170.66) = 54.206% kept T HA ARG+ 54 - HG LEU 115 16.667% * 43.2422% (0.61 1.0 10.00 1.27 1.89) = 43.242% kept HA ASN 28 - HG LEU 115 16.667% * 2.4465% (0.53 1.0 1.00 0.83 0.58) = 2.446% kept HA ALA 124 - HG LEU 115 16.667% * 0.0542% (0.48 1.0 1.00 0.02 0.02) = 0.054% HA ALA 34 - HG LEU 115 16.667% * 0.0349% (0.31 1.0 1.00 0.02 0.29) = 0.035% HA1 GLY 101 - HG LEU 115 16.667% * 0.0161% (0.14 1.0 1.00 0.02 0.02) = 0.016% Peak 1468 (1.98, 1.48, 26.92 ppm): 5 chemical-shift based assignments, quality = 0.725, support = 5.62, residual support = 170.3: * O T HB2 LEU 115 - HG LEU 115 20.000% * 99.8002% (0.73 10.0 10.00 5.63 170.66) = 99.800% kept HG3 PRO 58 - HG LEU 115 20.000% * 0.0993% (0.72 1.0 1.00 0.02 0.39) = 0.099% HB2 LEU 67 - HG LEU 115 20.000% * 0.0605% (0.44 1.0 1.00 0.02 0.02) = 0.061% HB VAL 18 - HG LEU 115 20.000% * 0.0235% (0.17 1.0 1.00 0.02 0.02) = 0.024% HG2 PRO 68 - HG LEU 115 20.000% * 0.0164% (0.12 1.0 1.00 0.02 0.02) = 0.016% Peak 1469 (1.48, 1.48, 26.92 ppm): 1 diagonal assignment: * HG LEU 115 - HG LEU 115 (0.53) kept Peak 1470 (0.43, 1.48, 26.92 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 4.98, residual support = 168.6: * O T QD1 LEU 115 - HG LEU 115 50.000% * 98.7640% (0.73 10.0 10.00 5.04 170.66) = 98.764% kept QG1 VAL 75 - HG LEU 115 50.000% * 1.2360% (0.64 1.0 1.00 0.28 0.02) = 1.236% kept Peak 1471 (0.59, 1.48, 26.92 ppm): 5 chemical-shift based assignments, quality = 0.657, support = 5.52, residual support = 159.5: * O T QD2 LEU 115 - HG LEU 115 20.000% * 93.4697% (0.67 10.0 10.00 5.88 170.66) = 93.470% kept QD1 LEU 63 - HG LEU 115 20.000% * 2.5392% (0.64 1.0 1.00 0.57 0.02) = 2.539% kept QD1 LEU 73 - HG LEU 115 20.000% * 2.2691% (0.64 1.0 1.00 0.51 0.02) = 2.269% kept QD1 LEU 104 - HG LEU 115 20.000% * 0.9891% (0.40 1.0 1.00 0.36 0.02) = 0.989% QD2 LEU 80 - HG LEU 115 20.000% * 0.7329% (0.64 1.0 1.00 0.16 0.11) = 0.733% Peak 1472 (4.12, 0.43, 25.13 ppm): 6 chemical-shift based assignments, quality = 0.725, support = 3.53, residual support = 100.4: * T HA LEU 115 - QD1 LEU 115 16.667% * 58.4422% (0.67 10.00 5.32 170.66) = 58.442% kept T HA ARG+ 54 - QD1 LEU 115 16.667% * 35.3738% (0.84 10.00 0.97 1.89) = 35.374% kept HA ASN 28 - QD1 LEU 115 16.667% * 4.6968% (0.73 1.00 1.48 0.58) = 4.697% kept HA ALA 34 - QD1 LEU 115 16.667% * 1.4115% (0.43 1.00 0.75 0.29) = 1.411% kept HA ALA 124 - QD1 LEU 115 16.667% * 0.0584% (0.67 1.00 0.02 0.02) = 0.058% HA1 GLY 101 - QD1 LEU 115 16.667% * 0.0173% (0.20 1.00 0.02 0.02) = 0.017% Peak 1473 (1.98, 0.43, 25.13 ppm): 5 chemical-shift based assignments, quality = 0.999, support = 5.3, residual support = 168.2: * O T HB2 LEU 115 - QD1 LEU 115 20.000% * 98.5406% (1.00 10.0 10.00 5.38 170.66) = 98.541% kept HG3 PRO 58 - QD1 LEU 115 20.000% * 1.3602% (1.00 1.0 1.00 0.28 0.39) = 1.360% kept HB2 LEU 67 - QD1 LEU 115 20.000% * 0.0598% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB VAL 18 - QD1 LEU 115 20.000% * 0.0232% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 68 - QD1 LEU 115 20.000% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1474 (1.48, 0.43, 25.13 ppm): 4 chemical-shift based assignments, quality = 0.724, support = 5.03, residual support = 170.2: * O T HG LEU 115 - QD1 LEU 115 25.000% * 99.7211% (0.73 10.0 10.00 5.04 170.66) = 99.721% kept HB3 LEU 40 - QD1 LEU 115 25.000% * 0.1346% (0.98 1.0 1.00 0.02 0.02) = 0.135% QB ALA 120 - QD1 LEU 115 25.000% * 0.0997% (0.73 1.0 1.00 0.02 0.02) = 0.100% HB2 LYS+ 74 - QD1 LEU 115 25.000% * 0.0446% (0.32 1.0 1.00 0.02 0.02) = 0.045% 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): 5 chemical-shift based assignments, quality = 0.912, support = 5.36, residual support = 157.7: * O T QD2 LEU 115 - QD1 LEU 115 20.000% * 92.3731% (0.92 10.0 10.00 5.77 170.66) = 92.373% kept QD2 LEU 80 - QD1 LEU 115 20.000% * 2.6578% (0.88 1.0 1.00 0.60 0.11) = 2.658% kept QD1 LEU 63 - QD1 LEU 115 20.000% * 2.1015% (0.88 1.0 1.00 0.48 0.02) = 2.101% kept QD1 LEU 73 - QD1 LEU 115 20.000% * 1.9244% (0.88 1.0 1.00 0.44 0.02) = 1.924% kept QD1 LEU 104 - QD1 LEU 115 20.000% * 0.9431% (0.55 1.0 1.00 0.35 0.02) = 0.943% Peak 1477 (4.12, 0.59, 23.43 ppm): 6 chemical-shift based assignments, quality = 0.671, support = 4.06, residual support = 96.2: * T HA LEU 115 - QD2 LEU 115 16.667% * 55.9395% (0.62 10.00 6.34 170.66) = 55.939% kept T HA ARG+ 54 - QD2 LEU 115 16.667% * 37.0886% (0.77 10.00 1.06 1.89) = 37.089% kept HA ASN 28 - QD2 LEU 115 16.667% * 6.0535% (0.67 1.00 1.99 0.58) = 6.054% kept HA ALA 34 - QD2 LEU 115 16.667% * 0.8459% (0.40 1.00 0.47 0.29) = 0.846% HA ALA 124 - QD2 LEU 115 16.667% * 0.0559% (0.62 1.00 0.02 0.02) = 0.056% HA1 GLY 101 - QD2 LEU 115 16.667% * 0.0166% (0.18 1.00 0.02 0.02) = 0.017% Peak 1478 (1.98, 0.59, 23.43 ppm): 5 chemical-shift based assignments, quality = 0.922, support = 6.27, residual support = 165.9: * O T HB2 LEU 115 - QD2 LEU 115 20.000% * 97.2029% (0.92 10.0 10.00 6.44 170.66) = 97.203% kept HG3 PRO 58 - QD2 LEU 115 20.000% * 2.6992% (0.92 1.0 1.00 0.56 0.39) = 2.699% kept HB2 LEU 67 - QD2 LEU 115 20.000% * 0.0590% (0.56 1.0 1.00 0.02 0.02) = 0.059% HB VAL 18 - QD2 LEU 115 20.000% * 0.0229% (0.22 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 68 - QD2 LEU 115 20.000% * 0.0160% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 1479 (1.48, 0.59, 23.43 ppm): 4 chemical-shift based assignments, quality = 0.669, support = 5.81, residual support = 168.5: * O T HG LEU 115 - QD2 LEU 115 25.000% * 98.7265% (0.67 10.0 10.00 5.88 170.66) = 98.727% kept QB ALA 120 - QD2 LEU 115 25.000% * 1.0961% (0.67 1.0 1.00 0.22 0.02) = 1.096% kept HB3 LEU 40 - QD2 LEU 115 25.000% * 0.1333% (0.90 1.0 1.00 0.02 0.02) = 0.133% HB2 LYS+ 74 - QD2 LEU 115 25.000% * 0.0441% (0.30 1.0 1.00 0.02 0.02) = 0.044% Peak 1480 (0.43, 0.59, 23.43 ppm): 2 chemical-shift based assignments, quality = 0.922, support = 5.71, residual support = 168.7: * O T QD1 LEU 115 - QD2 LEU 115 50.000% * 98.8546% (0.92 10.0 10.00 5.77 170.66) = 98.855% kept QG1 VAL 75 - QD2 LEU 115 50.000% * 1.1454% (0.81 1.0 1.00 0.26 0.02) = 1.145% kept Peak 1481 (0.59, 0.59, 23.43 ppm): 1 diagonal assignment: * QD2 LEU 115 - QD2 LEU 115 (0.85) 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 = 0.989, support = 4.21, residual support = 86.2: * O T HB2 GLN 116 - HA GLN 116 20.000% * 98.9192% (1.00 10.0 10.00 4.26 87.15) = 98.919% kept T HB2 GLU- 100 - HA GLN 116 20.000% * 0.9457% (0.96 1.0 10.00 0.02 0.02) = 0.946% HB3 PHE 97 - HA GLN 116 20.000% * 0.0913% (0.92 1.0 1.00 0.02 0.02) = 0.091% HB2 PRO 58 - HA GLN 116 20.000% * 0.0275% (0.28 1.0 1.00 0.02 0.02) = 0.028% QG GLU- 79 - HA GLN 116 20.000% * 0.0163% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1484 (2.54, 4.01, 60.31 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 85.9: * O T HG2 GLN 116 - HA GLN 116 50.000% * 98.5622% (1.00 10.0 10.00 4.07 87.15) = 98.562% kept HB3 PHE 95 - HA GLN 116 50.000% * 1.4378% (0.98 1.0 1.00 0.30 0.02) = 1.438% kept Peak 1485 (4.01, 2.37, 29.51 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.24, residual support = 86.9: * O T HA GLN 116 - HB2 GLN 116 14.286% * 99.6845% (1.00 10.0 10.00 4.26 87.15) = 99.684% kept HA VAL 70 - HB2 GLN 116 14.286% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA LYS+ 33 - HB2 GLN 116 14.286% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 29 - HB2 GLN 116 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA VAL 18 - HB2 GLN 116 14.286% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB2 SER 82 - HB2 GLN 116 14.286% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 SER 37 - HB2 GLN 116 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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): 2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 85.4: * O T HG2 GLN 116 - HB2 GLN 116 50.000% * 97.9659% (1.00 10.0 10.00 4.06 87.15) = 97.966% kept HB3 PHE 95 - HB2 GLN 116 50.000% * 2.0341% (0.98 1.0 1.00 0.42 0.02) = 2.034% kept Peak 1488 (4.01, 2.54, 34.75 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.06, residual support = 86.9: * O T HA GLN 116 - HG2 GLN 116 14.286% * 99.6845% (1.00 10.0 10.00 4.07 87.15) = 99.684% kept HA VAL 70 - HG2 GLN 116 14.286% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA LYS+ 33 - HG2 GLN 116 14.286% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA GLU- 29 - HG2 GLN 116 14.286% * 0.0485% (0.49 1.0 1.00 0.02 0.02) = 0.049% HA VAL 18 - HG2 GLN 116 14.286% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB2 SER 82 - HG2 GLN 116 14.286% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HB2 SER 37 - HG2 GLN 116 14.286% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1489 (2.37, 2.54, 34.75 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 3.94, residual support = 84.0: * O T HB2 GLN 116 - HG2 GLN 116 20.000% * 96.4120% (1.00 10.0 10.00 4.06 87.15) = 96.412% kept HB2 GLU- 100 - HG2 GLN 116 20.000% * 3.4564% (0.96 1.0 1.00 0.75 0.02) = 3.456% kept HB3 PHE 97 - HG2 GLN 116 20.000% * 0.0890% (0.92 1.0 1.00 0.02 0.02) = 0.089% HB2 PRO 58 - HG2 GLN 116 20.000% * 0.0268% (0.28 1.0 1.00 0.02 0.02) = 0.027% QG GLU- 79 - HG2 GLN 116 20.000% * 0.0159% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 6 chemical-shift based assignments, quality = 0.985, support = 0.993, residual support = 5.12: * O T QB SER 117 - HA SER 117 16.667% * 96.4608% (1.00 10.0 10.00 1.00 5.31) = 96.461% kept HA LYS+ 121 - HA SER 117 16.667% * 3.0177% (0.67 1.0 1.00 0.94 0.02) = 3.018% kept T QB SER 48 - HA SER 117 16.667% * 0.3620% (0.38 1.0 10.00 0.02 0.02) = 0.362% HA2 GLY 51 - HA SER 117 16.667% * 0.0755% (0.78 1.0 1.00 0.02 0.02) = 0.076% HB THR 94 - HA SER 117 16.667% * 0.0527% (0.55 1.0 1.00 0.02 0.02) = 0.053% HA PHE 60 - HA SER 117 16.667% * 0.0313% (0.32 1.0 1.00 0.02 0.02) = 0.031% Peak 1493 (4.24, 3.93, 63.04 ppm): 6 chemical-shift based assignments, quality = 0.983, support = 0.985, residual support = 5.16: * O T HA SER 117 - QB SER 117 16.667% * 97.0252% (1.00 10.0 10.00 1.00 5.31) = 97.025% kept HB THR 26 - QB SER 117 16.667% * 2.0728% (0.61 1.0 1.00 0.70 0.29) = 2.073% kept HA ASP- 62 - QB SER 117 16.667% * 0.7426% (0.28 1.0 1.00 0.55 0.02) = 0.743% T HA SER 117 - QB SER 48 16.667% * 0.1464% (0.15 1.0 10.00 0.02 0.02) = 0.146% HB THR 26 - QB SER 48 16.667% * 0.0089% (0.09 1.0 1.00 0.02 0.02) = 0.009% HA ASP- 62 - QB SER 48 16.667% * 0.0041% (0.04 1.0 1.00 0.02 0.02) = 0.004% 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 (0.06) 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): 8 chemical-shift based assignments, quality = 0.733, support = 6.44, residual support = 200.2: * O T HB ILE 119 - HA ILE 119 12.500% * 94.1880% (0.73 10.0 10.00 6.81 212.54) = 94.188% kept HG3 GLN 30 - HA ILE 119 12.500% * 3.2922% (1.00 1.0 1.00 0.51 0.75) = 3.292% kept HB2 GLN 30 - HA ILE 119 12.500% * 2.2223% (0.73 1.0 1.00 0.47 0.75) = 2.222% kept HB3 GLU- 100 - HA ILE 119 12.500% * 0.1083% (0.84 1.0 1.00 0.02 0.02) = 0.108% HB3 PRO 68 - HA ILE 119 12.500% * 0.0787% (0.61 1.0 1.00 0.02 0.02) = 0.079% HB VAL 108 - HA ILE 119 12.500% * 0.0487% (0.38 1.0 1.00 0.02 0.02) = 0.049% HB2 ARG+ 54 - HA ILE 119 12.500% * 0.0361% (0.28 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 111 - HA ILE 119 12.500% * 0.0257% (0.20 1.0 1.00 0.02 0.02) = 0.026% Peak 1499 (0.96, 3.69, 66.88 ppm): 3 chemical-shift based assignments, quality = 0.995, support = 6.7, residual support = 207.4: * O T QG2 ILE 119 - HA ILE 119 33.333% * 97.5962% (1.00 10.0 10.00 6.85 212.54) = 97.596% kept QD2 LEU 71 - HA ILE 119 33.333% * 1.3433% (0.73 1.0 1.00 0.38 0.13) = 1.343% kept QD1 ILE 103 - HA ILE 119 33.333% * 1.0605% (0.88 1.0 1.00 0.25 0.02) = 1.061% kept Peak 1500 (2.26, 3.69, 66.88 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 6.65, residual support = 208.6: * O T HG12 ILE 119 - HA ILE 119 12.500% * 98.1387% (1.00 10.0 10.00 6.78 212.54) = 98.139% kept QG GLN 90 - HA ILE 119 12.500% * 1.0844% (0.67 1.0 1.00 0.33 0.02) = 1.084% kept HB2 GLU- 29 - HA ILE 119 12.500% * 0.3523% (0.61 1.0 1.00 0.12 0.02) = 0.352% HB3 PHE 72 - HA ILE 119 12.500% * 0.2804% (0.55 1.0 1.00 0.10 1.75) = 0.280% QG GLU- 14 - HA ILE 119 12.500% * 0.0422% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG3 MET 92 - HA ILE 119 12.500% * 0.0422% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 44 - HA ILE 119 12.500% * 0.0368% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG GLU- 15 - HA ILE 119 12.500% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1501 (1.12, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.986, support = 6.06, residual support = 209.6: * O T HG13 ILE 119 - HA ILE 119 25.000% * 98.6172% (1.00 10.0 10.00 6.14 212.54) = 98.617% kept HD3 LYS+ 112 - HA ILE 119 25.000% * 0.7597% (0.24 1.0 1.00 0.65 0.02) = 0.760% HB3 LEU 31 - HA ILE 119 25.000% * 0.5807% (1.00 1.0 1.00 0.12 0.02) = 0.581% QB ALA 20 - HA ILE 119 25.000% * 0.0424% (0.43 1.0 1.00 0.02 0.02) = 0.042% Peak 1502 (1.02, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 5.92, residual support = 212.3: * T QD1 ILE 119 - HA ILE 119 25.000% * 99.8872% (0.92 10.00 5.93 212.54) = 99.887% kept HB2 LEU 104 - HA ILE 119 25.000% * 0.0527% (0.49 1.00 0.02 1.84) = 0.053% HB VAL 75 - HA ILE 119 25.000% * 0.0301% (0.28 1.00 0.02 0.02) = 0.030% QG2 VAL 108 - HA ILE 119 25.000% * 0.0301% (0.28 1.00 0.02 0.02) = 0.030% Peak 1503 (3.69, 2.03, 38.31 ppm): 5 chemical-shift based assignments, quality = 0.699, support = 5.83, residual support = 137.2: * O T HA ILE 119 - HB ILE 119 20.000% * 51.9382% (0.73 10.0 10.00 6.81 212.54) = 51.938% kept T HA THR 118 - HB ILE 119 20.000% * 47.9450% (0.67 1.0 10.00 4.78 55.89) = 47.945% kept HB2 TRP 49 - HB ILE 119 20.000% * 0.0509% (0.71 1.0 1.00 0.02 0.02) = 0.051% HA ALA 84 - HB ILE 119 20.000% * 0.0407% (0.57 1.0 1.00 0.02 0.02) = 0.041% HA2 GLY 109 - HB ILE 119 20.000% * 0.0253% (0.35 1.0 1.00 0.02 0.02) = 0.025% Peak 1504 (2.03, 2.03, 38.31 ppm): 1 diagonal assignment: * HB ILE 119 - HB ILE 119 (0.53) kept Peak 1505 (0.96, 2.03, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.721, support = 6.87, residual support = 205.1: * O T QG2 ILE 119 - HB ILE 119 33.333% * 96.4888% (0.73 10.0 10.00 7.10 212.54) = 96.489% kept QD2 LEU 71 - HB ILE 119 33.333% * 2.2988% (0.53 1.0 1.00 0.66 0.13) = 2.299% kept QD1 ILE 103 - HB ILE 119 33.333% * 1.2124% (0.64 1.0 1.00 0.28 0.02) = 1.212% kept Peak 1506 (2.26, 2.03, 38.31 ppm): 8 chemical-shift based assignments, quality = 0.716, support = 6.26, residual support = 207.8: * O T HG12 ILE 119 - HB ILE 119 12.500% * 97.7656% (0.73 10.0 10.00 6.40 212.54) = 97.766% kept QG GLN 90 - HB ILE 119 12.500% * 1.2110% (0.48 1.0 1.00 0.37 0.02) = 1.211% kept HB3 PHE 72 - HB ILE 119 12.500% * 0.8204% (0.40 1.0 1.00 0.31 1.75) = 0.820% HB2 GLU- 29 - HB ILE 119 12.500% * 0.0593% (0.44 1.0 1.00 0.02 0.02) = 0.059% QG GLU- 14 - HB ILE 119 12.500% * 0.0420% (0.31 1.0 1.00 0.02 0.02) = 0.042% HG3 MET 92 - HB ILE 119 12.500% * 0.0420% (0.31 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 44 - HB ILE 119 12.500% * 0.0367% (0.27 1.0 1.00 0.02 0.02) = 0.037% QG GLU- 15 - HB ILE 119 12.500% * 0.0230% (0.17 1.0 1.00 0.02 0.02) = 0.023% Peak 1507 (1.12, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 5.84, residual support = 212.2: * O T HG13 ILE 119 - HB ILE 119 25.000% * 99.8342% (0.73 10.0 10.00 5.85 212.54) = 99.834% kept HB3 LEU 31 - HB ILE 119 25.000% * 0.0993% (0.72 1.0 1.00 0.02 0.02) = 0.099% QB ALA 20 - HB ILE 119 25.000% * 0.0429% (0.31 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 112 - HB ILE 119 25.000% * 0.0235% (0.17 1.0 1.00 0.02 0.02) = 0.024% Peak 1508 (1.02, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.668, support = 5.9, residual support = 211.7: * O T QD1 ILE 119 - HB ILE 119 25.000% * 99.6174% (0.67 10.0 10.00 5.92 212.54) = 99.617% kept T QG2 VAL 108 - HB ILE 119 25.000% * 0.3000% (0.20 1.0 10.00 0.02 0.02) = 0.300% HB2 LEU 104 - HB ILE 119 25.000% * 0.0525% (0.35 1.0 1.00 0.02 1.84) = 0.053% HB VAL 75 - HB ILE 119 25.000% * 0.0300% (0.20 1.0 1.00 0.02 0.02) = 0.030% Peak 1509 (3.69, 0.96, 17.56 ppm): 5 chemical-shift based assignments, quality = 0.962, support = 5.7, residual support = 137.2: * O T HA ILE 119 - QG2 ILE 119 20.000% * 51.9382% (1.00 10.0 10.00 6.85 212.54) = 51.938% kept T HA THR 118 - QG2 ILE 119 20.000% * 47.9450% (0.92 1.0 10.00 4.47 55.89) = 47.945% kept HB2 TRP 49 - QG2 ILE 119 20.000% * 0.0509% (0.98 1.0 1.00 0.02 0.02) = 0.051% HA ALA 84 - QG2 ILE 119 20.000% * 0.0407% (0.78 1.0 1.00 0.02 0.02) = 0.041% HA2 GLY 109 - QG2 ILE 119 20.000% * 0.0253% (0.49 1.0 1.00 0.02 0.02) = 0.025% Peak 1510 (2.03, 0.96, 17.56 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 7.0, residual support = 209.3: * O T HB ILE 119 - QG2 ILE 119 12.500% * 98.4674% (0.73 10.0 10.00 7.10 212.54) = 98.467% kept HB2 GLN 30 - QG2 ILE 119 12.500% * 1.0860% (0.73 1.0 1.00 0.22 0.75) = 1.086% kept HG3 GLN 30 - QG2 ILE 119 12.500% * 0.1356% (1.00 1.0 1.00 0.02 0.75) = 0.136% HB3 GLU- 100 - QG2 ILE 119 12.500% * 0.1133% (0.84 1.0 1.00 0.02 0.02) = 0.113% HB3 PRO 68 - QG2 ILE 119 12.500% * 0.0822% (0.61 1.0 1.00 0.02 0.02) = 0.082% HB VAL 108 - QG2 ILE 119 12.500% * 0.0509% (0.38 1.0 1.00 0.02 0.02) = 0.051% HB2 ARG+ 54 - QG2 ILE 119 12.500% * 0.0377% (0.28 1.0 1.00 0.02 0.02) = 0.038% HB2 LYS+ 111 - QG2 ILE 119 12.500% * 0.0268% (0.20 1.0 1.00 0.02 0.02) = 0.027% 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): 8 chemical-shift based assignments, quality = 0.985, support = 6.2, residual support = 207.4: * O T HG12 ILE 119 - QG2 ILE 119 12.500% * 97.5649% (1.00 10.0 10.00 6.35 212.54) = 97.565% kept QG GLN 90 - QG2 ILE 119 12.500% * 1.3929% (0.67 1.0 1.00 0.43 0.02) = 1.393% kept HB3 PHE 72 - QG2 ILE 119 12.500% * 0.8396% (0.55 1.0 1.00 0.32 1.75) = 0.840% HB2 GLU- 29 - QG2 ILE 119 12.500% * 0.0592% (0.61 1.0 1.00 0.02 0.02) = 0.059% QG GLU- 14 - QG2 ILE 119 12.500% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG3 MET 92 - QG2 ILE 119 12.500% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 44 - QG2 ILE 119 12.500% * 0.0366% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG GLU- 15 - QG2 ILE 119 12.500% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1513 (1.12, 0.96, 17.56 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 5.96, residual support = 212.2: * O T HG13 ILE 119 - QG2 ILE 119 25.000% * 99.8342% (1.00 10.0 10.00 5.97 212.54) = 99.834% kept HB3 LEU 31 - QG2 ILE 119 25.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QB ALA 20 - QG2 ILE 119 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 112 - QG2 ILE 119 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 1514 (1.02, 0.96, 17.56 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 5.69, residual support = 212.3: * T QD1 ILE 119 - QG2 ILE 119 25.000% * 99.8872% (0.92 10.00 5.69 212.54) = 99.887% kept HB2 LEU 104 - QG2 ILE 119 25.000% * 0.0527% (0.49 1.00 0.02 1.84) = 0.053% HB VAL 75 - QG2 ILE 119 25.000% * 0.0301% (0.28 1.00 0.02 0.02) = 0.030% QG2 VAL 108 - QG2 ILE 119 25.000% * 0.0301% (0.28 1.00 0.02 0.02) = 0.030% Peak 1515 (3.69, 2.26, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.96, support = 6.57, residual support = 136.9: * O T HA ILE 119 - HG12 ILE 119 20.000% * 51.8390% (1.00 10.0 10.00 6.78 212.54) = 51.839% kept T HA THR 118 - HG12 ILE 119 20.000% * 47.8535% (0.92 1.0 10.00 6.39 55.89) = 47.853% kept HA ALA 84 - HG12 ILE 119 20.000% * 0.2315% (0.78 1.0 1.00 0.11 0.02) = 0.231% HB2 TRP 49 - HG12 ILE 119 20.000% * 0.0508% (0.98 1.0 1.00 0.02 0.02) = 0.051% HA2 GLY 109 - HG12 ILE 119 20.000% * 0.0252% (0.49 1.0 1.00 0.02 0.02) = 0.025% Peak 1516 (2.03, 2.26, 30.83 ppm): 8 chemical-shift based assignments, quality = 0.723, support = 6.18, residual support = 205.1: * O T HB ILE 119 - HG12 ILE 119 12.500% * 96.4664% (0.73 10.0 10.00 6.40 212.54) = 96.466% kept HG3 GLN 30 - HG12 ILE 119 12.500% * 2.2345% (1.00 1.0 1.00 0.34 0.75) = 2.235% kept HB2 GLN 30 - HG12 ILE 119 12.500% * 0.9944% (0.73 1.0 1.00 0.21 0.75) = 0.994% HB3 GLU- 100 - HG12 ILE 119 12.500% * 0.1110% (0.84 1.0 1.00 0.02 0.02) = 0.111% HB3 PRO 68 - HG12 ILE 119 12.500% * 0.0806% (0.61 1.0 1.00 0.02 0.02) = 0.081% HB VAL 108 - HG12 ILE 119 12.500% * 0.0499% (0.38 1.0 1.00 0.02 0.02) = 0.050% HB2 ARG+ 54 - HG12 ILE 119 12.500% * 0.0369% (0.28 1.0 1.00 0.02 0.02) = 0.037% HB2 LYS+ 111 - HG12 ILE 119 12.500% * 0.0263% (0.20 1.0 1.00 0.02 0.02) = 0.026% Peak 1517 (0.96, 2.26, 30.83 ppm): 3 chemical-shift based assignments, quality = 0.994, support = 6.18, residual support = 206.6: * O T QG2 ILE 119 - HG12 ILE 119 33.333% * 97.2218% (1.00 10.0 10.00 6.35 212.54) = 97.222% kept QD2 LEU 71 - HG12 ILE 119 33.333% * 1.4577% (0.73 1.0 1.00 0.41 0.13) = 1.458% kept QD1 ILE 103 - HG12 ILE 119 33.333% * 1.3205% (0.88 1.0 1.00 0.31 0.02) = 1.321% kept 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): 4 chemical-shift based assignments, quality = 0.995, support = 5.91, residual support = 211.6: * O T HG13 ILE 119 - HG12 ILE 119 25.000% * 99.5453% (1.00 10.0 10.00 5.93 212.54) = 99.545% kept HB3 LEU 31 - HG12 ILE 119 25.000% * 0.3884% (1.00 1.0 1.00 0.08 0.02) = 0.388% QB ALA 20 - HG12 ILE 119 25.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 112 - HG12 ILE 119 25.000% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1520 (1.02, 2.26, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 5.54, residual support = 208.9: * O T QD1 ILE 119 - HG12 ILE 119 25.000% * 98.2608% (0.92 10.0 10.00 5.63 212.54) = 98.261% kept HB2 LEU 104 - HG12 ILE 119 25.000% * 1.6800% (0.49 1.0 1.00 0.65 1.84) = 1.680% kept HB VAL 75 - HG12 ILE 119 25.000% * 0.0296% (0.28 1.0 1.00 0.02 0.02) = 0.030% QG2 VAL 108 - HG12 ILE 119 25.000% * 0.0296% (0.28 1.0 1.00 0.02 0.02) = 0.030% Peak 1521 (3.69, 1.12, 30.83 ppm): 5 chemical-shift based assignments, quality = 0.977, support = 6.07, residual support = 177.3: * O T HA ILE 119 - HG13 ILE 119 20.000% * 77.7284% (1.00 10.0 10.00 6.14 212.54) = 77.728% kept HA THR 118 - HG13 ILE 119 20.000% * 21.5903% (0.92 1.0 1.00 6.02 55.89) = 21.590% kept HA ALA 84 - HG13 ILE 119 20.000% * 0.3190% (0.78 1.0 1.00 0.10 0.02) = 0.319% HA2 GLY 109 - HG13 ILE 119 20.000% * 0.2861% (0.49 1.0 1.00 0.15 0.02) = 0.286% HB2 TRP 49 - HG13 ILE 119 20.000% * 0.0762% (0.98 1.0 1.00 0.02 0.02) = 0.076% Peak 1522 (2.03, 1.12, 30.83 ppm): 8 chemical-shift based assignments, quality = 0.726, support = 5.52, residual support = 199.2: * O T HB ILE 119 - HG13 ILE 119 12.500% * 93.6862% (0.73 10.0 10.00 5.85 212.54) = 93.686% kept HG3 GLN 30 - HG13 ILE 119 12.500% * 3.0390% (1.00 1.0 1.00 0.47 0.75) = 3.039% kept HB VAL 108 - HG13 ILE 119 12.500% * 1.8703% (0.38 1.0 1.00 0.77 0.02) = 1.870% kept HB2 GLN 30 - HG13 ILE 119 12.500% * 1.1571% (0.73 1.0 1.00 0.25 0.75) = 1.157% kept HB3 GLU- 100 - HG13 ILE 119 12.500% * 0.1078% (0.84 1.0 1.00 0.02 0.02) = 0.108% HB3 PRO 68 - HG13 ILE 119 12.500% * 0.0783% (0.61 1.0 1.00 0.02 0.02) = 0.078% HB2 ARG+ 54 - HG13 ILE 119 12.500% * 0.0359% (0.28 1.0 1.00 0.02 0.02) = 0.036% HB2 LYS+ 111 - HG13 ILE 119 12.500% * 0.0255% (0.20 1.0 1.00 0.02 0.02) = 0.026% Peak 1523 (0.96, 1.12, 30.83 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 5.74, residual support = 203.5: * O T QG2 ILE 119 - HG13 ILE 119 33.333% * 95.7634% (1.00 10.0 10.00 5.97 212.54) = 95.763% kept QD2 LEU 71 - HG13 ILE 119 33.333% * 3.0042% (0.73 1.0 1.00 0.86 0.13) = 3.004% kept QD1 ILE 103 - HG13 ILE 119 33.333% * 1.2324% (0.88 1.0 1.00 0.29 0.02) = 1.232% kept Peak 1524 (2.26, 1.12, 30.83 ppm): 8 chemical-shift based assignments, quality = 0.988, support = 5.79, residual support = 207.1: * O T HG12 ILE 119 - HG13 ILE 119 12.500% * 97.4554% (1.00 10.0 10.00 5.93 212.54) = 97.455% kept QG GLN 90 - HG13 ILE 119 12.500% * 2.0235% (0.67 1.0 1.00 0.62 0.02) = 2.024% kept HB2 GLU- 29 - HG13 ILE 119 12.500% * 0.3246% (0.61 1.0 1.00 0.11 0.02) = 0.325% HB3 PHE 72 - HG13 ILE 119 12.500% * 0.0532% (0.55 1.0 1.00 0.02 1.75) = 0.053% QG GLU- 14 - HG13 ILE 119 12.500% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HG3 MET 92 - HG13 ILE 119 12.500% * 0.0419% (0.43 1.0 1.00 0.02 0.02) = 0.042% HB2 ASP- 44 - HG13 ILE 119 12.500% * 0.0366% (0.38 1.0 1.00 0.02 0.02) = 0.037% QG GLU- 15 - HG13 ILE 119 12.500% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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 = 0.916, support = 5.3, residual support = 209.2: * O T QD1 ILE 119 - HG13 ILE 119 25.000% * 98.3986% (0.92 10.0 10.00 5.37 212.54) = 98.399% kept HB2 LEU 104 - HG13 ILE 119 25.000% * 1.5421% (0.49 1.0 1.00 0.59 1.84) = 1.542% kept HB VAL 75 - HG13 ILE 119 25.000% * 0.0296% (0.28 1.0 1.00 0.02 0.02) = 0.030% QG2 VAL 108 - HG13 ILE 119 25.000% * 0.0296% (0.28 1.0 1.00 0.02 0.02) = 0.030% Peak 1527 (3.69, 1.02, 16.06 ppm): 5 chemical-shift based assignments, quality = 0.904, support = 5.68, residual support = 183.1: * T HA ILE 119 - QD1 ILE 119 20.000% * 81.4582% (0.92 10.00 5.93 212.54) = 81.458% kept HA THR 118 - QD1 ILE 119 20.000% * 17.8866% (0.85 1.00 4.76 55.89) = 17.887% kept HA ALA 84 - QD1 ILE 119 20.000% * 0.5357% (0.72 1.00 0.17 0.02) = 0.536% HB2 TRP 49 - QD1 ILE 119 20.000% * 0.0798% (0.90 1.00 0.02 0.02) = 0.080% HA2 GLY 109 - QD1 ILE 119 20.000% * 0.0396% (0.45 1.00 0.02 0.02) = 0.040% Peak 1528 (2.03, 1.02, 16.06 ppm): 8 chemical-shift based assignments, quality = 0.662, support = 5.85, residual support = 209.8: * O T HB ILE 119 - QD1 ILE 119 12.500% * 98.7170% (0.67 10.0 10.00 5.92 212.54) = 98.717% kept T HB VAL 108 - QD1 ILE 119 12.500% * 0.5102% (0.35 1.0 10.00 0.02 0.02) = 0.510% HB2 GLN 30 - QD1 ILE 119 12.500% * 0.3761% (0.67 1.0 1.00 0.08 0.75) = 0.376% HG3 GLN 30 - QD1 ILE 119 12.500% * 0.1359% (0.92 1.0 1.00 0.02 0.75) = 0.136% HB3 GLU- 100 - QD1 ILE 119 12.500% * 0.1136% (0.77 1.0 1.00 0.02 0.02) = 0.114% HB3 PRO 68 - QD1 ILE 119 12.500% * 0.0825% (0.56 1.0 1.00 0.02 0.02) = 0.082% HB2 ARG+ 54 - QD1 ILE 119 12.500% * 0.0378% (0.26 1.0 1.00 0.02 0.02) = 0.038% HB2 LYS+ 111 - QD1 ILE 119 12.500% * 0.0269% (0.18 1.0 1.00 0.02 0.02) = 0.027% Peak 1529 (0.96, 1.02, 16.06 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 5.48, residual support = 203.7: * T QG2 ILE 119 - QD1 ILE 119 33.333% * 95.8598% (0.92 10.00 5.69 212.54) = 95.860% kept QD2 LEU 71 - QD1 ILE 119 33.333% * 2.8986% (0.67 1.00 0.83 0.13) = 2.899% kept QD1 ILE 103 - QD1 ILE 119 33.333% * 1.2415% (0.81 1.00 0.29 0.02) = 1.242% kept Peak 1530 (2.26, 1.02, 16.06 ppm): 8 chemical-shift based assignments, quality = 0.906, support = 5.43, residual support = 203.7: * O T HG12 ILE 119 - QD1 ILE 119 12.500% * 95.8244% (0.92 10.0 10.00 5.63 212.54) = 95.824% kept HB3 PHE 72 - QD1 ILE 119 12.500% * 2.5941% (0.50 1.0 1.00 0.99 1.75) = 2.594% kept QG GLN 90 - QD1 ILE 119 12.500% * 1.3824% (0.62 1.0 1.00 0.43 0.02) = 1.382% kept HB2 GLU- 29 - QD1 ILE 119 12.500% * 0.0581% (0.56 1.0 1.00 0.02 0.02) = 0.058% QG GLU- 14 - QD1 ILE 119 12.500% * 0.0412% (0.40 1.0 1.00 0.02 0.02) = 0.041% HG3 MET 92 - QD1 ILE 119 12.500% * 0.0412% (0.40 1.0 1.00 0.02 0.02) = 0.041% HB2 ASP- 44 - QD1 ILE 119 12.500% * 0.0360% (0.35 1.0 1.00 0.02 0.02) = 0.036% QG GLU- 15 - QD1 ILE 119 12.500% * 0.0226% (0.22 1.0 1.00 0.02 0.02) = 0.023% Peak 1531 (1.12, 1.02, 16.06 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 5.36, residual support = 212.2: * O T HG13 ILE 119 - QD1 ILE 119 25.000% * 99.8342% (0.92 10.0 10.00 5.37 212.54) = 99.834% kept HB3 LEU 31 - QD1 ILE 119 25.000% * 0.0993% (0.92 1.0 1.00 0.02 0.02) = 0.099% QB ALA 20 - QD1 ILE 119 25.000% * 0.0429% (0.40 1.0 1.00 0.02 0.02) = 0.043% HD3 LYS+ 112 - QD1 ILE 119 25.000% * 0.0235% (0.22 1.0 1.00 0.02 0.02) = 0.024% Peak 1532 (1.02, 1.02, 16.06 ppm): 1 diagonal assignment: * QD1 ILE 119 - QD1 ILE 119 (0.85) 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): 5 chemical-shift based assignments, quality = 0.88, support = 1.98, residual support = 8.51: * O T QB ALA 120 - HA ALA 120 20.000% * 99.7388% (0.88 10.0 10.00 1.98 8.53) = 99.739% kept HB3 LEU 40 - HA ALA 120 20.000% * 0.1125% (1.00 1.0 1.00 0.02 0.02) = 0.112% HG LEU 115 - HA ALA 120 20.000% * 0.0997% (0.88 1.0 1.00 0.02 0.02) = 0.100% HG LEU 67 - HA ALA 120 20.000% * 0.0266% (0.24 1.0 1.00 0.02 0.02) = 0.027% HB2 LYS+ 74 - HA ALA 120 20.000% * 0.0224% (0.20 1.0 1.00 0.02 0.02) = 0.022% Peak 1535 (3.95, 1.48, 18.41 ppm): 8 chemical-shift based assignments, quality = 0.835, support = 2.1, residual support = 7.99: * O T HA ALA 120 - QB ALA 120 12.500% * 88.9068% (0.88 10.0 10.00 1.98 8.53) = 88.907% kept HA LYS+ 121 - QB ALA 120 12.500% * 8.8478% (0.48 1.0 1.00 3.64 4.59) = 8.848% kept HA LYS+ 65 - QB ALA 120 12.500% * 1.6595% (0.48 1.0 1.00 0.68 0.02) = 1.660% kept HA2 GLY 16 - QB ALA 120 12.500% * 0.3548% (0.59 1.0 1.00 0.12 0.02) = 0.355% QB SER 48 - QB ALA 120 12.500% * 0.0743% (0.74 1.0 1.00 0.02 0.02) = 0.074% QB SER 85 - QB ALA 120 12.500% * 0.0593% (0.59 1.0 1.00 0.02 0.02) = 0.059% HB THR 94 - QB ALA 120 12.500% * 0.0593% (0.59 1.0 1.00 0.02 0.02) = 0.059% HA2 GLY 51 - QB ALA 120 12.500% * 0.0382% (0.38 1.0 1.00 0.02 0.02) = 0.038% Peak 1536 (1.48, 1.48, 18.41 ppm): 1 diagonal assignment: * QB ALA 120 - QB ALA 120 (0.78) kept Peak 1537 (3.94, 3.94, 58.66 ppm): 1 diagonal assignment: * HA LYS+ 121 - HA LYS+ 121 (1.00) kept Peak 1538 (1.66, 3.94, 58.66 ppm): 6 chemical-shift based assignments, quality = 0.989, support = 6.79, residual support = 260.3: * O T HB2 LYS+ 121 - HA LYS+ 121 16.667% * 94.2664% (1.00 10.0 10.00 7.20 276.12) = 94.266% kept T QD LYS+ 65 - HA LYS+ 121 16.667% * 4.6529% (1.00 1.0 10.00 0.10 0.02) = 4.653% kept T QD LYS+ 38 - HA LYS+ 121 16.667% * 0.7378% (0.78 1.0 10.00 0.02 0.02) = 0.738% T QD LYS+ 102 - HA LYS+ 121 16.667% * 0.2222% (0.24 1.0 10.00 0.02 0.02) = 0.222% HB VAL 83 - HA LYS+ 121 16.667% * 0.0901% (0.96 1.0 1.00 0.02 0.02) = 0.090% HD2 LYS+ 74 - HA LYS+ 121 16.667% * 0.0306% (0.32 1.0 1.00 0.02 0.02) = 0.031% Peak 1539 (1.15, 3.94, 58.66 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 6.93, residual support = 275.7: * O T HG2 LYS+ 121 - HA LYS+ 121 25.000% * 99.8363% (1.00 10.0 10.00 6.94 276.12) = 99.836% kept QG2 VAL 107 - HA LYS+ 121 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 20 - HA LYS+ 121 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% HG13 ILE 103 - HA LYS+ 121 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1540 (0.80, 3.94, 58.66 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.25, residual support = 276.0: * O T HG3 LYS+ 121 - HA LYS+ 121 33.333% * 99.9478% (1.00 10.0 10.00 6.26 276.12) = 99.948% kept QD1 ILE 56 - HA LYS+ 121 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 123 - HA LYS+ 121 33.333% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1541 (1.50, 3.94, 58.66 ppm): 5 chemical-shift based assignments, quality = 0.981, support = 5.59, residual support = 220.7: * T HD2 LYS+ 121 - HA LYS+ 121 20.000% * 79.9339% (1.00 10.00 6.90 276.12) = 79.934% kept T HG2 LYS+ 65 - HA LYS+ 121 20.000% * 17.1064% (0.98 10.00 0.44 0.02) = 17.106% kept T QD LYS+ 66 - HA LYS+ 121 20.000% * 2.2466% (0.61 10.00 0.09 0.02) = 2.247% kept QG2 THR 26 - HA LYS+ 121 20.000% * 0.6695% (0.92 1.00 0.18 0.02) = 0.670% HB2 LYS+ 74 - HA LYS+ 121 20.000% * 0.0436% (0.55 1.00 0.02 0.02) = 0.044% Peak 1542 (2.75, 3.94, 58.66 ppm): 4 chemical-shift based assignments, quality = 0.841, support = 6.03, residual support = 168.5: * QE LYS+ 121 - HA LYS+ 121 25.000% * 55.9918% (1.00 6.19 276.12) = 55.992% kept HB3 HIS 122 - HA LYS+ 121 25.000% * 38.7602% (0.67 6.43 35.57) = 38.760% kept HG2 GLN 30 - HA LYS+ 121 25.000% * 5.2183% (0.43 1.34 1.91) = 5.218% kept HB3 ASN 28 - HA LYS+ 121 25.000% * 0.0297% (0.16 0.02 0.02) = 0.030% Peak 1543 (3.94, 1.66, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 6.89, residual support = 245.6: * O T HA LYS+ 121 - HB2 LYS+ 121 16.667% * 88.7503% (1.00 10.0 10.00 7.20 276.12) = 88.750% kept HA ALA 120 - HB2 LYS+ 121 16.667% * 10.9382% (0.55 1.0 1.00 4.51 4.59) = 10.938% kept HB THR 94 - HB2 LYS+ 121 16.667% * 0.0870% (0.98 1.0 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - HB2 LYS+ 121 16.667% * 0.0870% (0.98 1.0 1.00 0.02 0.02) = 0.087% QB SER 48 - HB2 LYS+ 121 16.667% * 0.0783% (0.88 1.0 1.00 0.02 0.02) = 0.078% QB SER 117 - HB2 LYS+ 121 16.667% * 0.0592% (0.67 1.0 1.00 0.02 0.02) = 0.059% 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): 4 chemical-shift based assignments, quality = 0.998, support = 7.21, residual support = 275.7: * O T HG2 LYS+ 121 - HB2 LYS+ 121 25.000% * 99.8363% (1.00 10.0 10.00 7.22 276.12) = 99.836% kept QG2 VAL 107 - HB2 LYS+ 121 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 20 - HB2 LYS+ 121 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% HG13 ILE 103 - HB2 LYS+ 121 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1546 (0.80, 1.66, 32.89 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 6.64, residual support = 276.0: * O T HG3 LYS+ 121 - HB2 LYS+ 121 33.333% * 99.9478% (1.00 10.0 10.00 6.64 276.12) = 99.948% kept QD1 ILE 56 - HB2 LYS+ 121 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 123 - HB2 LYS+ 121 33.333% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1547 (1.50, 1.66, 32.89 ppm): 5 chemical-shift based assignments, quality = 0.935, support = 6.3, residual support = 239.0: * O T HD2 LYS+ 121 - HB2 LYS+ 121 20.000% * 86.5505% (1.00 10.0 10.00 7.22 276.12) = 86.550% kept T QD LYS+ 66 - HB2 LYS+ 121 20.000% * 11.3809% (0.61 1.0 10.00 0.43 0.02) = 11.381% kept T HG2 LYS+ 65 - HB2 LYS+ 121 20.000% * 0.8484% (0.98 1.0 10.00 0.02 0.02) = 0.848% QG2 THR 26 - HB2 LYS+ 121 20.000% * 0.7476% (0.92 1.0 1.00 0.19 0.02) = 0.748% T HB2 LYS+ 74 - HB2 LYS+ 121 20.000% * 0.4726% (0.55 1.0 10.00 0.02 0.02) = 0.473% Peak 1548 (2.75, 1.66, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.85, support = 6.05, residual support = 175.4: * QE LYS+ 121 - HB2 LYS+ 121 25.000% * 58.8985% (1.00 6.54 276.12) = 58.899% kept HB3 HIS 122 - HB2 LYS+ 121 25.000% * 35.7265% (0.67 5.95 35.57) = 35.727% kept HG2 GLN 30 - HB2 LYS+ 121 25.000% * 5.3453% (0.43 1.38 1.91) = 5.345% kept HB3 ASN 28 - HB2 LYS+ 121 25.000% * 0.0296% (0.16 0.02 0.02) = 0.030% Peak 1549 (3.94, 1.15, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.951, support = 6.53, residual support = 242.6: * O T HA LYS+ 121 - HG2 LYS+ 121 16.667% * 87.6720% (1.00 10.0 10.00 6.94 276.12) = 87.672% kept HA ALA 120 - HG2 LYS+ 121 16.667% * 10.3086% (0.55 1.0 1.00 4.31 4.59) = 10.309% kept HB THR 94 - HG2 LYS+ 121 16.667% * 1.7976% (0.98 1.0 1.00 0.42 0.02) = 1.798% kept HA2 GLY 51 - HG2 LYS+ 121 16.667% * 0.0859% (0.98 1.0 1.00 0.02 0.02) = 0.086% QB SER 48 - HG2 LYS+ 121 16.667% * 0.0774% (0.88 1.0 1.00 0.02 0.02) = 0.077% QB SER 117 - HG2 LYS+ 121 16.667% * 0.0585% (0.67 1.0 1.00 0.02 0.02) = 0.058% Peak 1550 (1.66, 1.15, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 7.07, residual support = 270.1: * O T HB2 LYS+ 121 - HG2 LYS+ 121 16.667% * 97.8306% (1.00 10.0 10.00 7.22 276.12) = 97.831% kept QD LYS+ 65 - HG2 LYS+ 121 16.667% * 1.9444% (1.00 1.0 1.00 0.40 0.02) = 1.944% kept HB VAL 83 - HG2 LYS+ 121 16.667% * 0.0935% (0.96 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 38 - HG2 LYS+ 121 16.667% * 0.0766% (0.78 1.0 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - HG2 LYS+ 121 16.667% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - HG2 LYS+ 121 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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): 3 chemical-shift based assignments, quality = 0.999, support = 6.31, residual support = 276.0: * O T HG3 LYS+ 121 - HG2 LYS+ 121 33.333% * 99.9478% (1.00 10.0 10.00 6.31 276.12) = 99.948% kept QD1 ILE 56 - HG2 LYS+ 121 33.333% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 123 - HG2 LYS+ 121 33.333% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1553 (1.50, 1.15, 24.39 ppm): 5 chemical-shift based assignments, quality = 0.944, support = 6.13, residual support = 241.7: * O T HD2 LYS+ 121 - HG2 LYS+ 121 20.000% * 87.5373% (1.00 10.0 10.00 6.95 276.12) = 87.537% kept T QD LYS+ 66 - HG2 LYS+ 121 20.000% * 11.3535% (0.61 1.0 10.00 0.43 0.02) = 11.353% kept QG2 THR 26 - HG2 LYS+ 121 20.000% * 0.9756% (0.92 1.0 1.00 0.24 0.02) = 0.976% HG2 LYS+ 65 - HG2 LYS+ 121 20.000% * 0.0858% (0.98 1.0 1.00 0.02 0.02) = 0.086% HB2 LYS+ 74 - HG2 LYS+ 121 20.000% * 0.0478% (0.55 1.0 1.00 0.02 0.02) = 0.048% Peak 1554 (2.75, 1.15, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.936, support = 5.83, residual support = 233.2: * O QE LYS+ 121 - HG2 LYS+ 121 25.000% * 82.4805% (1.00 10.0 6.00 276.12) = 82.480% kept HB3 HIS 122 - HG2 LYS+ 121 25.000% * 15.3452% (0.67 1.0 5.58 35.57) = 15.345% kept HG2 GLN 30 - HG2 LYS+ 121 25.000% * 2.1608% (0.43 1.0 1.22 1.91) = 2.161% kept HB3 ASN 28 - HG2 LYS+ 121 25.000% * 0.0136% (0.16 1.0 0.02 0.02) = 0.014% Peak 1555 (3.94, 0.80, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.956, support = 6.0, residual support = 250.7: * O T HA LYS+ 121 - HG3 LYS+ 121 16.667% * 90.6304% (1.00 10.0 10.00 6.26 276.12) = 90.630% kept HA ALA 120 - HG3 LYS+ 121 16.667% * 9.0515% (0.55 1.0 1.00 3.66 4.59) = 9.051% kept HB THR 94 - HG3 LYS+ 121 16.667% * 0.0888% (0.98 1.0 1.00 0.02 0.02) = 0.089% HA2 GLY 51 - HG3 LYS+ 121 16.667% * 0.0888% (0.98 1.0 1.00 0.02 0.02) = 0.089% QB SER 48 - HG3 LYS+ 121 16.667% * 0.0800% (0.88 1.0 1.00 0.02 0.02) = 0.080% QB SER 117 - HG3 LYS+ 121 16.667% * 0.0604% (0.67 1.0 1.00 0.02 0.02) = 0.060% Peak 1556 (1.66, 0.80, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.51, residual support = 270.1: * O T HB2 LYS+ 121 - HG3 LYS+ 121 16.667% * 97.8111% (1.00 10.0 10.00 6.64 276.12) = 97.811% kept QD LYS+ 65 - HG3 LYS+ 121 16.667% * 1.9641% (1.00 1.0 1.00 0.40 0.02) = 1.964% kept HB VAL 83 - HG3 LYS+ 121 16.667% * 0.0935% (0.96 1.0 1.00 0.02 0.02) = 0.094% QD LYS+ 38 - HG3 LYS+ 121 16.667% * 0.0766% (0.78 1.0 1.00 0.02 0.02) = 0.077% HD2 LYS+ 74 - HG3 LYS+ 121 16.667% * 0.0318% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - HG3 LYS+ 121 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1557 (1.15, 0.80, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 6.3, residual support = 275.7: * O T HG2 LYS+ 121 - HG3 LYS+ 121 25.000% * 99.8363% (1.00 10.0 10.00 6.31 276.12) = 99.836% kept QG2 VAL 107 - HG3 LYS+ 121 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 20 - HG3 LYS+ 121 25.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% HG13 ILE 103 - HG3 LYS+ 121 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1558 (0.80, 0.80, 24.39 ppm): 1 diagonal assignment: * HG3 LYS+ 121 - HG3 LYS+ 121 (1.00) kept Peak 1559 (1.50, 0.80, 24.39 ppm): 5 chemical-shift based assignments, quality = 0.94, support = 5.5, residual support = 238.8: * O T HD2 LYS+ 121 - HG3 LYS+ 121 20.000% * 86.4835% (1.00 10.0 10.00 6.30 276.12) = 86.483% kept T QD LYS+ 66 - HG3 LYS+ 121 20.000% * 11.3323% (0.61 1.0 10.00 0.43 0.02) = 11.332% kept HB2 LYS+ 74 - HG3 LYS+ 121 20.000% * 1.1356% (0.55 1.0 1.00 0.48 0.02) = 1.136% kept QG2 THR 26 - HG3 LYS+ 121 20.000% * 0.9639% (0.92 1.0 1.00 0.24 0.02) = 0.964% HG2 LYS+ 65 - HG3 LYS+ 121 20.000% * 0.0848% (0.98 1.0 1.00 0.02 0.02) = 0.085% Peak 1560 (2.75, 0.80, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.922, support = 5.49, residual support = 227.1: * O QE LYS+ 121 - HG3 LYS+ 121 25.000% * 80.3994% (1.00 10.0 5.69 276.12) = 80.399% kept HB3 HIS 122 - HG3 LYS+ 121 25.000% * 14.1597% (0.67 1.0 5.28 35.57) = 14.160% kept HG2 GLN 30 - HG3 LYS+ 121 25.000% * 5.4276% (0.43 1.0 3.14 1.91) = 5.428% kept HB3 ASN 28 - HG3 LYS+ 121 25.000% * 0.0132% (0.16 1.0 0.02 0.02) = 0.013% Peak 1561 (3.94, 1.50, 29.95 ppm): 12 chemical-shift based assignments, quality = 0.944, support = 6.58, residual support = 245.2: * T HA LYS+ 121 - HD2 LYS+ 121 8.333% * 88.6152% (1.00 10.00 6.90 276.12) = 88.615% kept HA ALA 120 - HD2 LYS+ 121 8.333% * 10.6532% (0.55 1.00 4.40 4.59) = 10.653% kept T HA LYS+ 121 - QD LYS+ 66 8.333% * 0.3868% (0.09 10.00 0.09 0.02) = 0.387% HB THR 94 - HD2 LYS+ 121 8.333% * 0.0869% (0.98 1.00 0.02 0.02) = 0.087% HA2 GLY 51 - HD2 LYS+ 121 8.333% * 0.0869% (0.98 1.00 0.02 0.02) = 0.087% QB SER 48 - HD2 LYS+ 121 8.333% * 0.0782% (0.88 1.00 0.02 0.02) = 0.078% QB SER 117 - HD2 LYS+ 121 8.333% * 0.0591% (0.67 1.00 0.02 0.02) = 0.059% HB THR 94 - QD LYS+ 66 8.333% * 0.0082% (0.09 1.00 0.02 0.02) = 0.008% HA2 GLY 51 - QD LYS+ 66 8.333% * 0.0082% (0.09 1.00 0.02 0.02) = 0.008% QB SER 48 - QD LYS+ 66 8.333% * 0.0074% (0.08 1.00 0.02 0.02) = 0.007% QB SER 117 - QD LYS+ 66 8.333% * 0.0056% (0.06 1.00 0.02 0.02) = 0.006% HA ALA 120 - QD LYS+ 66 8.333% * 0.0046% (0.05 1.00 0.02 0.02) = 0.005% Peak 1562 (1.66, 1.50, 29.95 ppm): 12 chemical-shift based assignments, quality = 0.911, support = 5.81, residual support = 212.0: * O T HB2 LYS+ 121 - HD2 LYS+ 121 8.333% * 76.1177% (1.00 10.0 10.00 7.22 276.12) = 76.118% kept T QD LYS+ 65 - HD2 LYS+ 121 8.333% * 14.2393% (1.00 1.0 10.00 0.38 0.02) = 14.239% kept T QD LYS+ 65 - QD LYS+ 66 8.333% * 7.1337% (0.09 1.0 10.00 3.61 24.95) = 7.134% kept T HB2 LYS+ 121 - QD LYS+ 66 8.333% * 1.5543% (0.09 1.0 10.00 0.43 0.02) = 1.554% kept T QD LYS+ 38 - HD2 LYS+ 121 8.333% * 0.5958% (0.78 1.0 10.00 0.02 0.02) = 0.596% T QD LYS+ 102 - HD2 LYS+ 121 8.333% * 0.1794% (0.24 1.0 10.00 0.02 0.02) = 0.179% HB VAL 83 - HD2 LYS+ 121 8.333% * 0.0728% (0.96 1.0 1.00 0.02 0.02) = 0.073% T QD LYS+ 38 - QD LYS+ 66 8.333% * 0.0561% (0.07 1.0 10.00 0.02 0.02) = 0.056% HD2 LYS+ 74 - HD2 LYS+ 121 8.333% * 0.0247% (0.32 1.0 1.00 0.02 0.02) = 0.025% T QD LYS+ 102 - QD LYS+ 66 8.333% * 0.0169% (0.02 1.0 10.00 0.02 0.02) = 0.017% HB VAL 83 - QD LYS+ 66 8.333% * 0.0069% (0.09 1.0 1.00 0.02 0.02) = 0.007% HD2 LYS+ 74 - QD LYS+ 66 8.333% * 0.0023% (0.03 1.0 1.00 0.02 0.02) = 0.002% Peak 1563 (1.15, 1.50, 29.95 ppm): 8 chemical-shift based assignments, quality = 0.997, support = 6.93, residual support = 275.4: * O T HG2 LYS+ 121 - HD2 LYS+ 121 12.500% * 99.7271% (1.00 10.0 10.00 6.95 276.12) = 99.727% kept T HG2 LYS+ 121 - QD LYS+ 66 12.500% * 0.0939% (0.09 1.0 10.00 0.02 0.02) = 0.094% QG2 VAL 107 - HD2 LYS+ 121 12.500% * 0.0833% (0.84 1.0 1.00 0.02 0.02) = 0.083% QB ALA 20 - HD2 LYS+ 121 12.500% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.060% HG13 ILE 103 - HD2 LYS+ 121 12.500% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% QG2 VAL 107 - QD LYS+ 66 12.500% * 0.0078% (0.08 1.0 1.00 0.02 0.02) = 0.008% QB ALA 20 - QD LYS+ 66 12.500% * 0.0057% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG13 ILE 103 - QD LYS+ 66 12.500% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 1564 (0.80, 1.50, 29.95 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.29, residual support = 275.7: * O T HG3 LYS+ 121 - HD2 LYS+ 121 16.667% * 99.8489% (1.00 10.0 10.00 6.30 276.12) = 99.849% kept T HG3 LYS+ 121 - QD LYS+ 66 16.667% * 0.0940% (0.09 1.0 10.00 0.02 0.02) = 0.094% QD1 ILE 56 - HD2 LYS+ 121 16.667% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% QD2 LEU 123 - HD2 LYS+ 121 16.667% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% QD1 ILE 56 - QD LYS+ 66 16.667% * 0.0031% (0.03 1.0 1.00 0.02 0.02) = 0.003% QD2 LEU 123 - QD LYS+ 66 16.667% * 0.0019% (0.02 1.0 1.00 0.02 0.02) = 0.002% 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 (0.06) kept Peak 1566 (2.75, 1.50, 29.95 ppm): 8 chemical-shift based assignments, quality = 0.85, support = 5.01, residual support = 194.0: * O QE LYS+ 121 - HD2 LYS+ 121 12.500% * 68.5113% (1.00 10.0 1.00 5.95 276.12) = 68.511% kept T HG2 GLN 30 - HD2 LYS+ 121 12.500% * 18.8492% (0.43 1.0 10.00 1.28 1.91) = 18.849% kept HB3 HIS 122 - HD2 LYS+ 121 12.500% * 12.5887% (0.67 1.0 1.00 5.51 35.57) = 12.589% kept T HG2 GLN 30 - QD LYS+ 66 12.500% * 0.0277% (0.04 1.0 10.00 0.02 0.02) = 0.028% HB3 ASN 28 - HD2 LYS+ 121 12.500% * 0.0113% (0.16 1.0 1.00 0.02 0.02) = 0.011% QE LYS+ 121 - QD LYS+ 66 12.500% * 0.0065% (0.09 1.0 1.00 0.02 0.02) = 0.006% HB3 HIS 122 - QD LYS+ 66 12.500% * 0.0043% (0.06 1.0 1.00 0.02 0.02) = 0.004% HB3 ASN 28 - QD LYS+ 66 12.500% * 0.0011% (0.02 1.0 1.00 0.02 0.02) = 0.001% 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 = 0.988, support = 2.28, residual support = 48.0: * O T HB2 HIS 122 - HA HIS 122 33.333% * 98.7745% (1.00 10.0 10.00 2.31 48.56) = 98.775% kept HB THR 46 - HA HIS 122 33.333% * 0.6391% (0.78 1.0 1.00 0.17 0.78) = 0.639% HA LYS+ 112 - HA HIS 122 33.333% * 0.5864% (0.78 1.0 1.00 0.15 0.15) = 0.586% Peak 1569 (2.76, 4.88, 56.57 ppm): 2 chemical-shift based assignments, quality = 0.969, support = 3.71, residual support = 47.3: * O T HB3 HIS 122 - HA HIS 122 50.000% * 90.5716% (1.00 10.0 10.00 3.77 48.56) = 90.572% kept QE LYS+ 121 - HA HIS 122 50.000% * 9.4284% (0.67 1.0 1.00 3.12 35.57) = 9.428% kept Peak 1570 (4.88, 3.45, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 2.31, residual support = 48.5: * O T HA HIS 122 - HB2 HIS 122 50.000% * 99.9394% (1.00 10.0 10.00 2.31 48.56) = 99.939% kept HA VAL 41 - HB2 HIS 122 50.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% 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): 2 chemical-shift based assignments, quality = 0.965, support = 4.3, residual support = 47.2: * O T HB3 HIS 122 - HB2 HIS 122 50.000% * 89.6219% (1.00 10.0 10.00 4.39 48.56) = 89.622% kept QE LYS+ 121 - HB2 HIS 122 50.000% * 10.3781% (0.67 1.0 1.00 3.47 35.57) = 10.378% kept Peak 1573 (4.88, 2.76, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.77, residual support = 48.5: * O T HA HIS 122 - HB3 HIS 122 50.000% * 99.9394% (1.00 10.0 10.00 3.77 48.56) = 99.939% kept HA VAL 41 - HB3 HIS 122 50.000% * 0.0606% (0.61 1.0 1.00 0.02 0.02) = 0.061% Peak 1574 (3.45, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 4.37, residual support = 48.2: * O T HB2 HIS 122 - HB3 HIS 122 33.333% * 99.3326% (1.00 10.0 10.00 4.39 48.56) = 99.333% kept HA LYS+ 112 - HB3 HIS 122 33.333% * 0.5897% (0.78 1.0 1.00 0.15 0.15) = 0.590% HB THR 46 - HB3 HIS 122 33.333% * 0.0777% (0.78 1.0 1.00 0.02 0.78) = 0.078% 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): 8 chemical-shift based assignments, quality = 0.995, support = 6.09, residual support = 181.8: * O T HB2 LEU 123 - HA LEU 123 12.500% * 99.4513% (1.00 10.0 10.00 6.13 182.76) = 99.451% kept T QD LYS+ 106 - HA LEU 123 12.500% * 0.1636% (0.16 1.0 10.00 0.02 0.02) = 0.164% HG3 PRO 93 - HA LEU 123 12.500% * 0.0990% (1.00 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - HA LEU 123 12.500% * 0.0831% (0.84 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 111 - HA LEU 123 12.500% * 0.0778% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 MET 92 - HA LEU 123 12.500% * 0.0603% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 73 - HA LEU 123 12.500% * 0.0373% (0.38 1.0 1.00 0.02 0.02) = 0.037% QD LYS+ 38 - HA LEU 123 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1578 (1.63, 4.38, 55.67 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 5.38, residual support = 182.3: * O T HB3 LEU 123 - HA LEU 123 20.000% * 99.7221% (1.00 10.0 10.00 5.39 182.76) = 99.722% kept QD LYS+ 33 - HA LEU 123 20.000% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 111 - HA LEU 123 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - HA LEU 123 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD2 LYS+ 74 - HA LEU 123 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% Peak 1579 (1.85, 4.38, 55.67 ppm): 10 chemical-shift based assignments, quality = 0.422, support = 5.3, residual support = 179.6: * O T HG LEU 123 - HA LEU 123 10.000% * 98.2959% (0.43 10.0 10.00 5.39 182.76) = 98.296% kept HG3 PRO 68 - HA LEU 123 10.000% * 0.7931% (0.84 1.0 1.00 0.08 0.02) = 0.793% HB ILE 103 - HA LEU 123 10.000% * 0.1791% (0.78 1.0 1.00 0.02 0.02) = 0.179% HG2 ARG+ 54 - HA LEU 123 10.000% * 0.1662% (0.73 1.0 1.00 0.02 0.30) = 0.166% HB3 ASP- 105 - HA LEU 123 10.000% * 0.1526% (0.67 1.0 1.00 0.02 0.02) = 0.153% QB LYS+ 33 - HA LEU 123 10.000% * 0.1114% (0.49 1.0 1.00 0.02 0.02) = 0.111% HB3 PRO 52 - HA LEU 123 10.000% * 0.0983% (0.43 1.0 1.00 0.02 0.02) = 0.098% HB3 GLN 90 - HA LEU 123 10.000% * 0.0859% (0.38 1.0 1.00 0.02 0.02) = 0.086% QB LYS+ 81 - HA LEU 123 10.000% * 0.0636% (0.28 1.0 1.00 0.02 0.02) = 0.064% QB LYS+ 106 - HA LEU 123 10.000% * 0.0539% (0.24 1.0 1.00 0.02 0.02) = 0.054% Peak 1580 (0.86, 4.38, 55.67 ppm): 5 chemical-shift based assignments, quality = 0.987, support = 5.5, residual support = 180.3: * T QD1 LEU 123 - HA LEU 123 20.000% * 98.6588% (1.00 10.00 5.57 182.76) = 98.659% kept QG1 VAL 70 - HA LEU 123 20.000% * 0.7060% (0.84 1.00 0.17 0.02) = 0.706% HB3 LEU 104 - HA LEU 123 20.000% * 0.4707% (0.67 1.00 0.14 0.02) = 0.471% QD1 LEU 71 - HA LEU 123 20.000% * 0.0987% (1.00 1.00 0.02 0.02) = 0.099% QG1 VAL 18 - HA LEU 123 20.000% * 0.0658% (0.67 1.00 0.02 0.02) = 0.066% Peak 1581 (0.82, 4.38, 55.67 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 182.7: * T QD2 LEU 123 - HA LEU 123 50.000% * 99.9802% (1.00 10.00 4.93 182.76) = 99.980% kept HG3 LYS+ 121 - HA LEU 123 50.000% * 0.0198% (0.20 1.00 0.02 1.45) = 0.020% Peak 1582 (4.38, 1.68, 43.16 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 6.02, residual support = 179.4: * O T HA LEU 123 - HB2 LEU 123 16.667% * 98.1440% (1.00 10.0 10.00 6.13 182.76) = 98.144% kept HA ASN 35 - HB2 LEU 123 16.667% * 1.6446% (0.92 1.0 1.00 0.36 0.02) = 1.645% kept HA ILE 56 - HB2 LEU 123 16.667% * 0.0938% (0.96 1.0 1.00 0.02 0.02) = 0.094% HA LYS+ 99 - HB2 LEU 123 16.667% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HA LEU 40 - HB2 LEU 123 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.34) = 0.023% HA ASP- 113 - HB2 LEU 123 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% 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): 10 chemical-shift based assignments, quality = 0.423, support = 5.34, residual support = 179.9: * O T HG LEU 123 - HB2 LEU 123 10.000% * 98.4105% (0.43 10.0 10.00 5.42 182.76) = 98.410% kept T QB LYS+ 106 - HB2 LEU 123 10.000% * 0.5401% (0.24 1.0 10.00 0.02 0.02) = 0.540% HG3 PRO 68 - HB2 LEU 123 10.000% * 0.1914% (0.84 1.0 1.00 0.02 0.02) = 0.191% HB ILE 103 - HB2 LEU 123 10.000% * 0.1793% (0.78 1.0 1.00 0.02 0.02) = 0.179% HG2 ARG+ 54 - HB2 LEU 123 10.000% * 0.1664% (0.73 1.0 1.00 0.02 0.30) = 0.166% HB3 ASP- 105 - HB2 LEU 123 10.000% * 0.1528% (0.67 1.0 1.00 0.02 0.02) = 0.153% QB LYS+ 33 - HB2 LEU 123 10.000% * 0.1115% (0.49 1.0 1.00 0.02 0.02) = 0.112% HB3 PRO 52 - HB2 LEU 123 10.000% * 0.0984% (0.43 1.0 1.00 0.02 0.02) = 0.098% HB3 GLN 90 - HB2 LEU 123 10.000% * 0.0860% (0.38 1.0 1.00 0.02 0.02) = 0.086% QB LYS+ 81 - HB2 LEU 123 10.000% * 0.0637% (0.28 1.0 1.00 0.02 0.02) = 0.064% Peak 1586 (0.86, 1.68, 43.16 ppm): 5 chemical-shift based assignments, quality = 0.992, support = 5.48, residual support = 181.2: * O T QD1 LEU 123 - HB2 LEU 123 20.000% * 99.1569% (1.00 10.0 10.00 5.52 182.76) = 99.157% kept HB3 LEU 104 - HB2 LEU 123 20.000% * 0.5950% (0.67 1.0 1.00 0.18 0.02) = 0.595% QD1 LEU 71 - HB2 LEU 123 20.000% * 0.0992% (1.00 1.0 1.00 0.02 0.02) = 0.099% QG1 VAL 70 - HB2 LEU 123 20.000% * 0.0828% (0.84 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 18 - HB2 LEU 123 20.000% * 0.0661% (0.67 1.0 1.00 0.02 0.02) = 0.066% Peak 1587 (0.82, 1.68, 43.16 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 182.7: * O T QD2 LEU 123 - HB2 LEU 123 50.000% * 99.9802% (1.00 10.0 10.00 4.93 182.76) = 99.980% kept HG3 LYS+ 121 - HB2 LEU 123 50.000% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1594 (4.38, 1.85, 26.16 ppm): 6 chemical-shift based assignments, quality = 0.425, support = 5.26, residual support = 178.2: * O T HA LEU 123 - HG LEU 123 16.667% * 97.5185% (0.43 10.0 10.00 5.39 182.76) = 97.518% kept HA ASN 35 - HG LEU 123 16.667% * 1.6202% (0.40 1.0 1.00 0.36 0.02) = 1.620% kept HA LYS+ 99 - HG LEU 123 16.667% * 0.7221% (0.31 1.0 1.00 0.20 0.02) = 0.722% HA ILE 56 - HG LEU 123 16.667% * 0.0932% (0.41 1.0 1.00 0.02 0.02) = 0.093% HA LEU 40 - HG LEU 123 16.667% * 0.0230% (0.10 1.0 1.00 0.02 0.34) = 0.023% HA ASP- 113 - HG LEU 123 16.667% * 0.0230% (0.10 1.0 1.00 0.02 0.02) = 0.023% Peak 1595 (1.68, 1.85, 26.16 ppm): 8 chemical-shift based assignments, quality = 0.428, support = 5.4, residual support = 182.0: * O T HB2 LEU 123 - HG LEU 123 12.500% * 99.5979% (0.43 10.0 10.00 5.42 182.76) = 99.598% kept HG3 PRO 93 - HG LEU 123 12.500% * 0.0991% (0.43 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - HG LEU 123 12.500% * 0.0832% (0.36 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 111 - HG LEU 123 12.500% * 0.0780% (0.34 1.0 1.00 0.02 0.02) = 0.078% HB3 MET 92 - HG LEU 123 12.500% * 0.0604% (0.26 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 73 - HG LEU 123 12.500% * 0.0374% (0.16 1.0 1.00 0.02 0.02) = 0.037% QD LYS+ 38 - HG LEU 123 12.500% * 0.0277% (0.12 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 106 - HG LEU 123 12.500% * 0.0164% (0.07 1.0 1.00 0.02 0.02) = 0.016% Peak 1596 (1.63, 1.85, 26.16 ppm): 5 chemical-shift based assignments, quality = 0.428, support = 4.93, residual support = 182.3: * O T HB3 LEU 123 - HG LEU 123 20.000% * 99.7221% (0.43 10.0 10.00 4.95 182.76) = 99.722% kept QD LYS+ 33 - HG LEU 123 20.000% * 0.0997% (0.43 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 111 - HG LEU 123 20.000% * 0.0781% (0.34 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - HG LEU 123 20.000% * 0.0724% (0.31 1.0 1.00 0.02 0.02) = 0.072% HD2 LYS+ 74 - HG LEU 123 20.000% * 0.0277% (0.12 1.0 1.00 0.02 0.55) = 0.028% Peak 1597 (1.85, 1.85, 26.16 ppm): 1 diagonal assignment: * HG LEU 123 - HG LEU 123 (0.18) kept Peak 1598 (0.86, 1.85, 26.16 ppm): 5 chemical-shift based assignments, quality = 0.426, support = 5.01, residual support = 181.4: * O T QD1 LEU 123 - HG LEU 123 20.000% * 99.2779% (0.43 10.0 10.00 5.05 182.76) = 99.278% kept HB3 LEU 104 - HG LEU 123 20.000% * 0.4736% (0.29 1.0 1.00 0.14 0.02) = 0.474% QD1 LEU 71 - HG LEU 123 20.000% * 0.0993% (0.43 1.0 1.00 0.02 0.02) = 0.099% QG1 VAL 70 - HG LEU 123 20.000% * 0.0829% (0.36 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 18 - HG LEU 123 20.000% * 0.0662% (0.29 1.0 1.00 0.02 0.02) = 0.066% Peak 1599 (0.82, 1.85, 26.16 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 4.47, residual support = 182.7: * O T QD2 LEU 123 - HG LEU 123 50.000% * 99.9802% (0.43 10.0 10.00 4.47 182.76) = 99.980% kept HG3 LYS+ 121 - HG LEU 123 50.000% * 0.0198% (0.09 1.0 1.00 0.02 1.45) = 0.020% Peak 1600 (4.38, 0.86, 26.01 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.48, residual support = 179.4: * T HA LEU 123 - QD1 LEU 123 16.667% * 98.1463% (1.00 10.00 5.57 182.76) = 98.146% kept HA ASN 35 - QD1 LEU 123 16.667% * 1.6424% (0.92 1.00 0.36 0.02) = 1.642% kept HA ILE 56 - QD1 LEU 123 16.667% * 0.0938% (0.96 1.00 0.02 0.02) = 0.094% HA LYS+ 99 - QD1 LEU 123 16.667% * 0.0713% (0.73 1.00 0.02 0.02) = 0.071% HA LEU 40 - QD1 LEU 123 16.667% * 0.0231% (0.24 1.00 0.02 0.34) = 0.023% HA ASP- 113 - QD1 LEU 123 16.667% * 0.0231% (0.24 1.00 0.02 0.02) = 0.023% Peak 1601 (1.68, 0.86, 26.01 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 5.5, residual support = 182.0: * O T HB2 LEU 123 - QD1 LEU 123 12.500% * 99.5979% (1.00 10.0 10.00 5.52 182.76) = 99.598% kept HG3 PRO 93 - QD1 LEU 123 12.500% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - QD1 LEU 123 12.500% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 111 - QD1 LEU 123 12.500% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 MET 92 - QD1 LEU 123 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 73 - QD1 LEU 123 12.500% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QD LYS+ 38 - QD1 LEU 123 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 106 - QD1 LEU 123 12.500% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1602 (1.63, 0.86, 26.01 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 5.08, residual support = 182.3: * O T HB3 LEU 123 - QD1 LEU 123 20.000% * 99.7221% (1.00 10.0 10.00 5.10 182.76) = 99.722% kept QD LYS+ 33 - QD1 LEU 123 20.000% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 111 - QD1 LEU 123 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - QD1 LEU 123 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD2 LYS+ 74 - QD1 LEU 123 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% Peak 1603 (1.85, 0.86, 26.01 ppm): 10 chemical-shift based assignments, quality = 0.425, support = 4.99, residual support = 180.7: * O T HG LEU 123 - QD1 LEU 123 10.000% * 98.8912% (0.43 10.0 10.00 5.05 182.76) = 98.891% kept HG3 PRO 68 - QD1 LEU 123 10.000% * 0.1923% (0.84 1.0 1.00 0.02 0.02) = 0.192% HB ILE 103 - QD1 LEU 123 10.000% * 0.1802% (0.78 1.0 1.00 0.02 0.02) = 0.180% HG2 ARG+ 54 - QD1 LEU 123 10.000% * 0.1672% (0.73 1.0 1.00 0.02 0.30) = 0.167% HB3 ASP- 105 - QD1 LEU 123 10.000% * 0.1535% (0.67 1.0 1.00 0.02 0.02) = 0.154% QB LYS+ 33 - QD1 LEU 123 10.000% * 0.1121% (0.49 1.0 1.00 0.02 0.02) = 0.112% HB3 PRO 52 - QD1 LEU 123 10.000% * 0.0989% (0.43 1.0 1.00 0.02 0.02) = 0.099% HB3 GLN 90 - QD1 LEU 123 10.000% * 0.0864% (0.38 1.0 1.00 0.02 0.02) = 0.086% QB LYS+ 81 - QD1 LEU 123 10.000% * 0.0640% (0.28 1.0 1.00 0.02 0.02) = 0.064% QB LYS+ 106 - QD1 LEU 123 10.000% * 0.0543% (0.24 1.0 1.00 0.02 0.02) = 0.054% 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 = 4.59, residual support = 182.7: * O T QD2 LEU 123 - QD1 LEU 123 50.000% * 99.9802% (1.00 10.0 10.00 4.59 182.76) = 99.980% kept HG3 LYS+ 121 - QD1 LEU 123 50.000% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1606 (4.38, 0.82, 23.66 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 4.87, residual support = 180.6: * T HA LEU 123 - QD2 LEU 123 16.667% * 98.8050% (1.00 10.00 4.93 182.76) = 98.805% kept HA ASN 35 - QD2 LEU 123 16.667% * 0.9822% (0.92 1.00 0.22 0.02) = 0.982% HA ILE 56 - QD2 LEU 123 16.667% * 0.0945% (0.96 1.00 0.02 0.02) = 0.094% HA LYS+ 99 - QD2 LEU 123 16.667% * 0.0717% (0.73 1.00 0.02 0.02) = 0.072% HA LEU 40 - QD2 LEU 123 16.667% * 0.0233% (0.24 1.00 0.02 0.34) = 0.023% HA ASP- 113 - QD2 LEU 123 16.667% * 0.0233% (0.24 1.00 0.02 0.02) = 0.023% Peak 1607 (1.68, 0.82, 23.66 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 4.91, residual support = 182.0: * O T HB2 LEU 123 - QD2 LEU 123 12.500% * 99.5979% (1.00 10.0 10.00 4.93 182.76) = 99.598% kept HG3 PRO 93 - QD2 LEU 123 12.500% * 0.0991% (1.00 1.0 1.00 0.02 0.02) = 0.099% QD LYS+ 102 - QD2 LEU 123 12.500% * 0.0832% (0.84 1.0 1.00 0.02 0.02) = 0.083% HD2 LYS+ 111 - QD2 LEU 123 12.500% * 0.0780% (0.78 1.0 1.00 0.02 0.02) = 0.078% HB3 MET 92 - QD2 LEU 123 12.500% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 LEU 73 - QD2 LEU 123 12.500% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% QD LYS+ 38 - QD2 LEU 123 12.500% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% QD LYS+ 106 - QD2 LEU 123 12.500% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1608 (1.63, 0.82, 23.66 ppm): 5 chemical-shift based assignments, quality = 0.997, support = 4.48, residual support = 182.3: * O T HB3 LEU 123 - QD2 LEU 123 20.000% * 99.7221% (1.00 10.0 10.00 4.49 182.76) = 99.722% kept QD LYS+ 33 - QD2 LEU 123 20.000% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HD3 LYS+ 111 - QD2 LEU 123 20.000% * 0.0781% (0.78 1.0 1.00 0.02 0.02) = 0.078% QB ALA 57 - QD2 LEU 123 20.000% * 0.0724% (0.73 1.0 1.00 0.02 0.02) = 0.072% HD2 LYS+ 74 - QD2 LEU 123 20.000% * 0.0277% (0.28 1.0 1.00 0.02 0.55) = 0.028% Peak 1609 (1.85, 0.82, 23.66 ppm): 10 chemical-shift based assignments, quality = 0.428, support = 4.29, residual support = 174.1: * O T HG LEU 123 - QD2 LEU 123 10.000% * 95.2558% (0.43 10.0 10.00 4.47 182.76) = 95.256% kept QB LYS+ 33 - QD2 LEU 123 10.000% * 3.7840% (0.49 1.0 1.00 0.70 0.02) = 3.784% kept HG3 PRO 68 - QD2 LEU 123 10.000% * 0.1852% (0.84 1.0 1.00 0.02 0.02) = 0.185% HB ILE 103 - QD2 LEU 123 10.000% * 0.1736% (0.78 1.0 1.00 0.02 0.02) = 0.174% HG2 ARG+ 54 - QD2 LEU 123 10.000% * 0.1610% (0.73 1.0 1.00 0.02 0.30) = 0.161% HB3 ASP- 105 - QD2 LEU 123 10.000% * 0.1479% (0.67 1.0 1.00 0.02 0.02) = 0.148% HB3 PRO 52 - QD2 LEU 123 10.000% * 0.0953% (0.43 1.0 1.00 0.02 0.02) = 0.095% HB3 GLN 90 - QD2 LEU 123 10.000% * 0.0832% (0.38 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 81 - QD2 LEU 123 10.000% * 0.0617% (0.28 1.0 1.00 0.02 0.02) = 0.062% QB LYS+ 106 - QD2 LEU 123 10.000% * 0.0523% (0.24 1.0 1.00 0.02 0.02) = 0.052% Peak 1610 (0.86, 0.82, 23.66 ppm): 5 chemical-shift based assignments, quality = 0.989, support = 4.55, residual support = 180.8: * O T QD1 LEU 123 - QD2 LEU 123 20.000% * 98.9405% (1.00 10.0 10.00 4.59 182.76) = 98.940% kept HB3 LEU 104 - QD2 LEU 123 20.000% * 0.8120% (0.67 1.0 1.00 0.25 0.02) = 0.812% QD1 LEU 71 - QD2 LEU 123 20.000% * 0.0989% (1.00 1.0 1.00 0.02 0.02) = 0.099% QG1 VAL 70 - QD2 LEU 123 20.000% * 0.0826% (0.84 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 18 - QD2 LEU 123 20.000% * 0.0660% (0.67 1.0 1.00 0.02 0.02) = 0.066% 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): 1 diagonal assignment: * HA ALA 124 - HA ALA 124 (1.00) kept Peak 1614 (1.35, 4.11, 54.16 ppm): 9 chemical-shift based assignments, quality = 0.975, support = 0.913, residual support = 6.57: * O T QB ALA 124 - HA ALA 124 11.111% * 86.7561% (1.00 10.0 10.00 1.00 7.57) = 86.756% kept T QB ALA 84 - HA ALA 124 11.111% * 12.8358% (0.84 1.0 10.00 0.35 0.02) = 12.836% kept HG LEU 98 - HA ALA 124 11.111% * 0.0829% (0.96 1.0 1.00 0.02 0.02) = 0.083% HB3 ASP- 44 - HA ALA 124 11.111% * 0.0801% (0.92 1.0 1.00 0.02 0.02) = 0.080% HB2 LEU 63 - HA ALA 124 11.111% * 0.0679% (0.78 1.0 1.00 0.02 0.02) = 0.068% HB3 PRO 93 - HA ALA 124 11.111% * 0.0679% (0.78 1.0 1.00 0.02 0.02) = 0.068% HB3 LEU 80 - HA ALA 124 11.111% * 0.0526% (0.61 1.0 1.00 0.02 0.02) = 0.053% HB2 LEU 31 - HA ALA 124 11.111% * 0.0326% (0.38 1.0 1.00 0.02 0.02) = 0.033% HG2 LYS+ 111 - HA ALA 124 11.111% * 0.0241% (0.28 1.0 1.00 0.02 0.02) = 0.024% 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): 6 chemical-shift based assignments, quality = 0.996, support = 0.996, residual support = 7.54: * O T HA ALA 124 - QB ALA 124 16.667% * 99.5587% (1.00 10.0 10.00 1.00 7.57) = 99.559% kept T HA ASN 28 - QB ALA 124 16.667% * 0.2347% (0.24 1.0 10.00 0.02 0.02) = 0.235% HA ARG+ 54 - QB ALA 124 16.667% * 0.0952% (0.96 1.0 1.00 0.02 0.02) = 0.095% HA LYS+ 81 - QB ALA 124 16.667% * 0.0544% (0.55 1.0 1.00 0.02 0.02) = 0.054% HA GLU- 36 - QB ALA 124 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HA LEU 115 - QB ALA 124 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1633 (1.63, 1.68, 43.16 ppm): 5 chemical-shift based assignments, quality = 0.982, support = 5.32, residual support = 179.4: * O T HB3 LEU 123 - HB2 LEU 123 20.000% * 98.1517% (1.00 10.0 10.00 5.42 182.76) = 98.152% kept T QD LYS+ 33 - HB2 LEU 123 20.000% * 0.9815% (1.00 1.0 10.00 0.02 0.02) = 0.982% T HD3 LYS+ 111 - HB2 LEU 123 20.000% * 0.7682% (0.78 1.0 10.00 0.02 0.02) = 0.768% QB ALA 57 - HB2 LEU 123 20.000% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HD2 LYS+ 74 - HB2 LEU 123 20.000% * 0.0273% (0.28 1.0 1.00 0.02 0.55) = 0.027% 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): 8 chemical-shift based assignments, quality = 0.962, support = 5.32, residual support = 179.4: O T HB2 LEU 123 - HB3 LEU 123 12.500% * 98.1737% (0.98 10.0 10.00 5.42 182.76) = 98.174% kept T QD LYS+ 102 - HB3 LEU 123 12.500% * 0.9246% (0.92 1.0 10.00 0.02 0.02) = 0.925% T HD2 LYS+ 111 - HB3 LEU 123 12.500% * 0.6680% (0.67 1.0 10.00 0.02 0.02) = 0.668% HG3 PRO 93 - HB3 LEU 123 12.500% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HB3 MET 92 - HB3 LEU 123 12.500% * 0.0488% (0.49 1.0 1.00 0.02 0.02) = 0.049% QD LYS+ 38 - HB3 LEU 123 12.500% * 0.0376% (0.38 1.0 1.00 0.02 0.02) = 0.038% HB2 LEU 73 - HB3 LEU 123 12.500% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% HB VAL 83 - HB3 LEU 123 12.500% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 1636 (0.86, 1.63, 43.16 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 5.06, residual support = 181.4: * O T QD1 LEU 123 - HB3 LEU 123 20.000% * 99.2779% (1.00 10.0 10.00 5.10 182.76) = 99.278% kept HB3 LEU 104 - HB3 LEU 123 20.000% * 0.4736% (0.67 1.0 1.00 0.14 0.02) = 0.474% QD1 LEU 71 - HB3 LEU 123 20.000% * 0.0993% (1.00 1.0 1.00 0.02 0.02) = 0.099% QG1 VAL 70 - HB3 LEU 123 20.000% * 0.0829% (0.84 1.0 1.00 0.02 0.02) = 0.083% QG1 VAL 18 - HB3 LEU 123 20.000% * 0.0662% (0.67 1.0 1.00 0.02 0.02) = 0.066% Peak 1637 (0.82, 1.63, 43.16 ppm): 2 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 182.7: * O T QD2 LEU 123 - HB3 LEU 123 50.000% * 99.9802% (1.00 10.0 10.00 4.49 182.76) = 99.980% kept HG3 LYS+ 121 - HB3 LEU 123 50.000% * 0.0198% (0.20 1.0 1.00 0.02 1.45) = 0.020% Peak 1638 (1.85, 1.63, 43.16 ppm): 10 chemical-shift based assignments, quality = 0.54, support = 3.27, residual support = 111.0: * O T HG LEU 123 - HB3 LEU 123 10.000% * 60.6950% (0.43 10.0 10.00 4.95 182.76) = 60.695% kept T HG2 ARG+ 54 - HB3 LEU 123 10.000% * 37.0459% (0.73 1.0 10.00 0.72 0.30) = 37.046% kept T HG3 PRO 68 - HB3 LEU 123 10.000% * 1.1802% (0.84 1.0 10.00 0.02 0.02) = 1.180% kept T QB LYS+ 33 - HB3 LEU 123 10.000% * 0.6878% (0.49 1.0 10.00 0.02 0.02) = 0.688% HB ILE 103 - HB3 LEU 123 10.000% * 0.1106% (0.78 1.0 1.00 0.02 0.02) = 0.111% HB3 ASP- 105 - HB3 LEU 123 10.000% * 0.0942% (0.67 1.0 1.00 0.02 0.02) = 0.094% HB3 PRO 52 - HB3 LEU 123 10.000% * 0.0607% (0.43 1.0 1.00 0.02 0.02) = 0.061% HB3 GLN 90 - HB3 LEU 123 10.000% * 0.0530% (0.38 1.0 1.00 0.02 0.02) = 0.053% QB LYS+ 81 - HB3 LEU 123 10.000% * 0.0393% (0.28 1.0 1.00 0.02 0.02) = 0.039% QB LYS+ 106 - HB3 LEU 123 10.000% * 0.0333% (0.24 1.0 1.00 0.02 0.02) = 0.033% Peak 1639 (4.38, 1.63, 43.16 ppm): 6 chemical-shift based assignments, quality = 0.997, support = 5.3, residual support = 179.4: * O T HA LEU 123 - HB3 LEU 123 16.667% * 98.1436% (1.00 10.0 10.00 5.39 182.76) = 98.144% kept HA ASN 35 - HB3 LEU 123 16.667% * 1.6450% (0.92 1.0 1.00 0.36 0.02) = 1.645% kept HA ILE 56 - HB3 LEU 123 16.667% * 0.0938% (0.96 1.0 1.00 0.02 0.02) = 0.094% HA LYS+ 99 - HB3 LEU 123 16.667% * 0.0713% (0.73 1.0 1.00 0.02 0.02) = 0.071% HA LEU 40 - HB3 LEU 123 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.34) = 0.023% HA ASP- 113 - HB3 LEU 123 16.667% * 0.0231% (0.24 1.0 1.00 0.02 0.02) = 0.023% Peak 1657 (1.50, 1.41, 29.95 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 6.12, residual support = 269.2: * O HD2 LYS+ 121 - HD3 LYS+ 121 20.000% * 97.4863% (1.00 10.0 6.27 276.12) = 97.486% kept QD LYS+ 66 - HD3 LYS+ 121 20.000% * 1.2784% (0.61 1.0 0.43 0.02) = 1.278% kept QG2 THR 26 - HD3 LYS+ 121 20.000% * 1.0865% (0.92 1.0 0.24 0.02) = 1.087% kept HG2 LYS+ 65 - HD3 LYS+ 121 20.000% * 0.0956% (0.98 1.0 0.02 0.02) = 0.096% HB2 LYS+ 74 - HD3 LYS+ 121 20.000% * 0.0532% (0.55 1.0 0.02 0.02) = 0.053% 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): 4 chemical-shift based assignments, quality = 0.998, support = 6.27, residual support = 275.7: * O HG2 LYS+ 121 - HD3 LYS+ 121 25.000% * 99.8363% (1.00 10.0 6.28 276.12) = 99.836% kept QG2 VAL 107 - HD3 LYS+ 121 25.000% * 0.0834% (0.84 1.0 0.02 0.02) = 0.083% QB ALA 20 - HD3 LYS+ 121 25.000% * 0.0606% (0.61 1.0 0.02 0.02) = 0.061% HG13 ILE 103 - HD3 LYS+ 121 25.000% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% Peak 1660 (0.80, 1.41, 29.95 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 5.98, residual support = 276.0: * O HG3 LYS+ 121 - HD3 LYS+ 121 33.333% * 99.9478% (1.00 10.0 5.98 276.12) = 99.948% kept QD1 ILE 56 - HD3 LYS+ 121 33.333% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% QD2 LEU 123 - HD3 LYS+ 121 33.333% * 0.0198% (0.20 1.0 0.02 1.45) = 0.020% Peak 1661 (1.66, 1.41, 29.95 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 6.45, residual support = 270.1: * O HB2 LYS+ 121 - HD3 LYS+ 121 16.667% * 97.8095% (1.00 10.0 6.59 276.12) = 97.810% kept QD LYS+ 65 - HD3 LYS+ 121 16.667% * 1.9656% (1.00 1.0 0.40 0.02) = 1.966% kept HB VAL 83 - HD3 LYS+ 121 16.667% * 0.0935% (0.96 1.0 0.02 0.02) = 0.094% QD LYS+ 38 - HD3 LYS+ 121 16.667% * 0.0766% (0.78 1.0 0.02 0.02) = 0.077% HD2 LYS+ 74 - HD3 LYS+ 121 16.667% * 0.0318% (0.32 1.0 0.02 0.02) = 0.032% QD LYS+ 102 - HD3 LYS+ 121 16.667% * 0.0231% (0.24 1.0 0.02 0.02) = 0.023% Peak 1662 (2.75, 1.41, 29.95 ppm): 4 chemical-shift based assignments, quality = 0.944, support = 5.28, residual support = 238.2: * O QE LYS+ 121 - HD3 LYS+ 121 25.000% * 84.5166% (1.00 10.0 5.45 276.12) = 84.517% kept HB3 HIS 122 - HD3 LYS+ 121 25.000% * 13.5214% (0.67 1.0 4.80 35.57) = 13.521% kept HG2 GLN 30 - HD3 LYS+ 121 25.000% * 1.9480% (0.43 1.0 1.07 1.91) = 1.948% kept HB3 ASN 28 - HD3 LYS+ 121 25.000% * 0.0139% (0.16 1.0 0.02 0.02) = 0.014% Peak 1663 (3.94, 1.41, 29.95 ppm): 6 chemical-shift based assignments, quality = 0.962, support = 5.95, residual support = 254.5: * T HA LYS+ 121 - HD3 LYS+ 121 16.667% * 92.0425% (1.00 10.00 6.22 276.12) = 92.043% kept HA ALA 120 - HD3 LYS+ 121 16.667% * 7.6344% (0.55 1.00 3.04 4.59) = 7.634% kept HB THR 94 - HD3 LYS+ 121 16.667% * 0.0902% (0.98 1.00 0.02 0.02) = 0.090% HA2 GLY 51 - HD3 LYS+ 121 16.667% * 0.0902% (0.98 1.00 0.02 0.02) = 0.090% QB SER 48 - HD3 LYS+ 121 16.667% * 0.0812% (0.88 1.00 0.02 0.02) = 0.081% QB SER 117 - HD3 LYS+ 121 16.667% * 0.0614% (0.67 1.00 0.02 0.02) = 0.061% Peak 1665 (1.50, 1.52, 32.89 ppm): 5 chemical-shift based assignments, quality = 0.633, support = 6.61, residual support = 244.1: * O T HD2 LYS+ 121 - HB3 LYS+ 121 20.000% * 88.4051% (0.67 10.0 10.00 7.43 276.12) = 88.405% kept T QD LYS+ 66 - HB3 LYS+ 121 20.000% * 10.7846% (0.40 1.0 10.00 0.40 0.02) = 10.785% kept QG2 THR 26 - HB3 LYS+ 121 20.000% * 0.6754% (0.62 1.0 1.00 0.17 0.02) = 0.675% HG2 LYS+ 65 - HB3 LYS+ 121 20.000% * 0.0867% (0.65 1.0 1.00 0.02 0.02) = 0.087% HB2 LYS+ 74 - HB3 LYS+ 121 20.000% * 0.0483% (0.36 1.0 1.00 0.02 0.02) = 0.048% Peak 1666 (1.52, 1.52, 32.89 ppm): 1 diagonal assignment: * HB3 LYS+ 121 - HB3 LYS+ 121 (0.44) kept Peak 1667 (1.15, 1.52, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 7.46, residual support = 275.7: * O HG2 LYS+ 121 - HB3 LYS+ 121 25.000% * 99.8363% (0.67 10.0 7.47 276.12) = 99.836% kept QG2 VAL 107 - HB3 LYS+ 121 25.000% * 0.0834% (0.56 1.0 0.02 0.02) = 0.083% QB ALA 20 - HB3 LYS+ 121 25.000% * 0.0606% (0.40 1.0 0.02 0.02) = 0.061% HG13 ILE 103 - HB3 LYS+ 121 25.000% * 0.0198% (0.13 1.0 0.02 0.02) = 0.020% Peak 1668 (0.80, 1.52, 32.89 ppm): 3 chemical-shift based assignments, quality = 0.667, support = 6.79, residual support = 276.0: * O HG3 LYS+ 121 - HB3 LYS+ 121 33.333% * 99.9478% (0.67 10.0 6.79 276.12) = 99.948% kept QD1 ILE 56 - HB3 LYS+ 121 33.333% * 0.0324% (0.22 1.0 0.02 0.02) = 0.032% QD2 LEU 123 - HB3 LYS+ 121 33.333% * 0.0198% (0.13 1.0 0.02 1.45) = 0.020% Peak 1669 (1.66, 1.52, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.664, support = 7.65, residual support = 269.7: * O T HB2 LYS+ 121 - HB3 LYS+ 121 16.667% * 97.6882% (0.67 10.0 10.00 7.82 276.12) = 97.688% kept QD LYS+ 65 - HB3 LYS+ 121 16.667% * 1.8262% (0.66 1.0 1.00 0.38 0.02) = 1.826% kept HB VAL 83 - HB3 LYS+ 121 16.667% * 0.3544% (0.64 1.0 1.00 0.08 0.02) = 0.354% QD LYS+ 38 - HB3 LYS+ 121 16.667% * 0.0765% (0.52 1.0 1.00 0.02 0.02) = 0.076% HD2 LYS+ 74 - HB3 LYS+ 121 16.667% * 0.0317% (0.22 1.0 1.00 0.02 0.02) = 0.032% QD LYS+ 102 - HB3 LYS+ 121 16.667% * 0.0230% (0.16 1.0 1.00 0.02 0.02) = 0.023% Peak 1670 (2.75, 1.52, 32.89 ppm): 4 chemical-shift based assignments, quality = 0.531, support = 5.42, residual support = 154.7: * QE LYS+ 121 - HB3 LYS+ 121 25.000% * 52.0965% (0.67 1.00 6.88 276.12) = 52.097% kept HB3 HIS 122 - HB3 LYS+ 121 25.000% * 29.5835% (0.44 1.00 5.85 35.57) = 29.583% kept T HG2 GLN 30 - HB3 LYS+ 121 25.000% * 18.2951% (0.29 10.00 0.56 1.91) = 18.295% kept HB3 ASN 28 - HB3 LYS+ 121 25.000% * 0.0249% (0.11 1.00 0.02 0.02) = 0.025% Peak 1671 (3.94, 1.52, 32.89 ppm): 6 chemical-shift based assignments, quality = 0.636, support = 7.62, residual support = 249.6: * O T HA LYS+ 121 - HB3 LYS+ 121 16.667% * 90.2388% (0.67 10.0 10.00 8.05 276.12) = 90.239% kept HA ALA 120 - HB3 LYS+ 121 16.667% * 9.4445% (0.36 1.0 1.00 3.83 4.59) = 9.445% kept HB THR 94 - HB3 LYS+ 121 16.667% * 0.0885% (0.65 1.0 1.00 0.02 0.02) = 0.088% HA2 GLY 51 - HB3 LYS+ 121 16.667% * 0.0885% (0.65 1.0 1.00 0.02 0.02) = 0.088% QB SER 48 - HB3 LYS+ 121 16.667% * 0.0796% (0.59 1.0 1.00 0.02 0.02) = 0.080% QB SER 117 - HB3 LYS+ 121 16.667% * 0.0602% (0.44 1.0 1.00 0.02 0.02) = 0.060% Peak 1672 (1.52, 1.66, 32.89 ppm): 8 chemical-shift based assignments, quality = 0.617, support = 6.28, residual support = 225.3: * O T HB3 LYS+ 121 - HB2 LYS+ 121 12.500% * 52.2036% (0.67 10.0 10.00 7.82 276.12) = 52.204% kept O T HD2 LYS+ 121 - HB2 LYS+ 121 12.500% * 29.3752% (0.38 10.0 10.00 7.22 276.12) = 29.375% kept T QD LYS+ 66 - HB2 LYS+ 121 12.500% * 15.6640% (0.92 1.0 10.00 0.43 0.02) = 15.664% kept HG LEU 104 - HB2 LYS+ 121 12.500% * 1.2072% (0.67 1.0 1.00 0.46 0.02) = 1.207% kept HB3 LYS+ 111 - HB2 LYS+ 121 12.500% * 1.1539% (0.49 1.0 1.00 0.61 0.32) = 1.154% kept T HG2 LYS+ 65 - HB2 LYS+ 121 12.500% * 0.2176% (0.28 1.0 10.00 0.02 0.02) = 0.218% QG2 THR 26 - HB2 LYS+ 121 12.500% * 0.1449% (0.20 1.0 1.00 0.19 0.02) = 0.145% HD3 LYS+ 74 - HB2 LYS+ 121 12.500% * 0.0336% (0.43 1.0 1.00 0.02 0.02) = 0.034% Peak 1674 (1.52, 3.94, 58.66 ppm): 8 chemical-shift based assignments, quality = 0.559, support = 6.79, residual support = 244.1: * O T HB3 LYS+ 121 - HA LYS+ 121 12.500% * 56.5753% (0.67 10.0 10.00 8.05 276.12) = 56.575% kept T HD2 LYS+ 121 - HA LYS+ 121 12.500% * 31.8352% (0.38 1.0 10.00 6.90 276.12) = 31.835% kept T HG2 LYS+ 65 - HA LYS+ 121 12.500% * 5.1491% (0.28 1.0 10.00 0.44 0.02) = 5.149% kept T QD LYS+ 66 - HA LYS+ 121 12.500% * 3.6284% (0.92 1.0 10.00 0.09 0.02) = 3.628% kept HG LEU 104 - HA LYS+ 121 12.500% * 1.2808% (0.67 1.0 1.00 0.45 0.02) = 1.281% kept HB3 LYS+ 111 - HA LYS+ 121 12.500% * 1.2300% (0.49 1.0 1.00 0.60 0.32) = 1.230% kept QG2 THR 26 - HA LYS+ 121 12.500% * 0.1523% (0.20 1.0 1.00 0.18 0.02) = 0.152% HD3 LYS+ 74 - HA LYS+ 121 12.500% * 0.1490% (0.43 1.0 1.00 0.08 0.02) = 0.149% Peak 1675 (1.41, 3.94, 58.66 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 6.19, residual support = 275.1: * T HD3 LYS+ 121 - HA LYS+ 121 12.500% * 99.6287% (1.00 10.00 6.22 276.12) = 99.629% kept HB3 LYS+ 74 - HA LYS+ 121 12.500% * 0.0991% (1.00 1.00 0.02 0.02) = 0.099% HB2 LEU 80 - HA LYS+ 121 12.500% * 0.0920% (0.92 1.00 0.02 0.02) = 0.092% QB LEU 98 - HA LYS+ 121 12.500% * 0.0723% (0.73 1.00 0.02 0.02) = 0.072% QB ALA 12 - HA LYS+ 121 12.500% * 0.0323% (0.32 1.00 0.02 0.02) = 0.032% HG12 ILE 19 - HA LYS+ 121 12.500% * 0.0323% (0.32 1.00 0.02 0.02) = 0.032% QB ALA 110 - HA LYS+ 121 12.500% * 0.0235% (0.24 1.00 0.02 0.02) = 0.023% HG LEU 80 - HA LYS+ 121 12.500% * 0.0197% (0.20 1.00 0.02 0.02) = 0.020% 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 (0.61) kept Peak 1685 (3.69, 3.69, 67.42 ppm): 1 diagonal assignment: * HA THR 118 - HA THR 118 (0.61) 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): 5 chemical-shift based assignments, quality = 0.986, support = 6.34, residual support = 168.3: * O HB2 LEU 115 - HB3 LEU 115 20.000% * 98.6315% (1.00 10.0 1.00 6.43 170.66) = 98.632% kept HG3 PRO 58 - HB3 LEU 115 20.000% * 0.7308% (1.00 1.0 1.00 0.15 0.39) = 0.731% T HB2 LEU 67 - HB3 LEU 115 20.000% * 0.5982% (0.61 1.0 10.00 0.02 0.02) = 0.598% HB VAL 18 - HB3 LEU 115 20.000% * 0.0233% (0.24 1.0 1.00 0.02 0.02) = 0.023% HG2 PRO 68 - HB3 LEU 115 20.000% * 0.0162% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 1695 (1.46, 1.46, 42.01 ppm): 1 diagonal assignment: * HB3 LEU 115 - HB3 LEU 115 (1.00) kept Peak 1704 (2.43, 2.43, 41.54 ppm): 1 diagonal assignment: * QE LYS+ 112 - QE LYS+ 112 (0.44) kept Peak 1709 (1.37, 1.19, 32.81 ppm): 10 chemical-shift based assignments, quality = 0.986, support = 6.54, residual support = 179.4: * O T HB2 LYS+ 112 - HB3 LYS+ 112 10.000% * 95.3403% (1.00 10.0 10.00 6.84 188.03) = 95.340% kept HB3 LEU 73 - HB3 LYS+ 112 10.000% * 3.4179% (0.96 1.0 1.00 0.75 3.96) = 3.418% kept T HB VAL 42 - HB3 LYS+ 112 10.000% * 0.8414% (0.88 1.0 10.00 0.02 0.02) = 0.841% HG3 LYS+ 102 - HB3 LYS+ 112 10.000% * 0.0935% (0.98 1.0 1.00 0.02 0.02) = 0.093% HG3 LYS+ 106 - HB3 LYS+ 112 10.000% * 0.0911% (0.96 1.0 1.00 0.02 0.02) = 0.091% HG3 LYS+ 65 - HB3 LYS+ 112 10.000% * 0.0841% (0.88 1.0 1.00 0.02 0.02) = 0.084% HG3 LYS+ 33 - HB3 LYS+ 112 10.000% * 0.0746% (0.78 1.0 1.00 0.02 0.02) = 0.075% QB ALA 12 - HB3 LYS+ 112 10.000% * 0.0225% (0.24 1.0 1.00 0.02 0.02) = 0.022% HB3 PRO 93 - HB3 LYS+ 112 10.000% * 0.0189% (0.20 1.0 1.00 0.02 0.02) = 0.019% QB ALA 84 - HB3 LYS+ 112 10.000% * 0.0157% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 4 chemical-shift based assignments, quality = 0.74, support = 3.82, residual support = 187.8: * O HD2 LYS+ 112 - HD3 LYS+ 112 25.000% * 64.6136% (0.88 10.0 3.20 188.03) = 64.614% kept O HB3 LYS+ 112 - HD3 LYS+ 112 25.000% * 35.2838% (0.48 10.0 4.97 188.03) = 35.284% kept HB3 LEU 71 - HD3 LYS+ 112 25.000% * 0.0633% (0.87 1.0 0.02 0.02) = 0.063% QG2 THR 94 - HD3 LYS+ 112 25.000% * 0.0392% (0.54 1.0 0.02 0.43) = 0.039% Peak 1717 (1.11, 1.11, 29.98 ppm): 1 diagonal assignment: * HD3 LYS+ 112 - HD3 LYS+ 112 (0.78) kept Peak 1724 (2.02, 1.53, 33.52 ppm): 8 chemical-shift based assignments, quality = 0.996, support = 6.43, residual support = 282.1: * O HB2 LYS+ 111 - HB3 LYS+ 111 12.500% * 99.5874% (1.00 10.0 6.45 283.24) = 99.587% kept HB2 GLN 17 - HB3 LYS+ 111 12.500% * 0.0976% (0.98 1.0 0.02 0.02) = 0.098% QB GLU- 15 - HB3 LYS+ 111 12.500% * 0.0976% (0.98 1.0 0.02 0.02) = 0.098% HB3 GLU- 25 - HB3 LYS+ 111 12.500% * 0.0779% (0.78 1.0 0.02 0.02) = 0.078% HB3 PRO 68 - HB3 LYS+ 111 12.500% * 0.0723% (0.73 1.0 0.02 0.02) = 0.072% QB GLU- 114 - HB3 LYS+ 111 12.500% * 0.0277% (0.28 1.0 0.02 0.02) = 0.028% HG3 GLN 30 - HB3 LYS+ 111 12.500% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% HB ILE 19 - HB3 LYS+ 111 12.500% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% 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 = 3.57, residual support = 48.1: * O T QG1 VAL 107 - HA VAL 107 33.333% * 99.8848% (1.00 10.0 10.00 3.57 48.13) = 99.885% kept QG1 VAL 24 - HA VAL 107 33.333% * 0.0666% (0.67 1.0 1.00 0.02 0.02) = 0.067% HD3 LYS+ 112 - HA VAL 107 33.333% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% Peak 1748 (1.15, 4.48, 62.32 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 3.35, residual support = 48.1: * O T QG2 VAL 107 - HA VAL 107 25.000% * 99.8402% (1.00 10.0 10.00 3.36 48.13) = 99.840% kept HG2 LYS+ 121 - HA VAL 107 25.000% * 0.0834% (0.84 1.0 1.00 0.02 0.02) = 0.083% HG13 ILE 103 - HA VAL 107 25.000% * 0.0486% (0.49 1.0 1.00 0.02 0.02) = 0.049% QB ALA 20 - HA VAL 107 25.000% * 0.0278% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 1750 (1.86, 4.80, 54.18 ppm): 9 chemical-shift based assignments, quality = 0.959, support = 2.71, residual support = 29.4: * O T HB3 ASP- 105 - HA ASP- 105 11.111% * 86.2199% (1.00 10.0 10.00 2.49 31.96) = 86.220% kept QB LYS+ 106 - HA ASP- 105 11.111% * 13.2872% (0.73 1.0 1.00 4.24 14.16) = 13.287% kept HG2 ARG+ 54 - HA ASP- 105 11.111% * 0.0858% (1.00 1.0 1.00 0.02 0.02) = 0.086% HB ILE 103 - HA ASP- 105 11.111% * 0.0845% (0.98 1.0 1.00 0.02 0.37) = 0.085% HG3 PRO 68 - HA ASP- 105 11.111% * 0.0824% (0.96 1.0 1.00 0.02 0.02) = 0.082% QB LYS+ 33 - HA ASP- 105 11.111% * 0.0824% (0.96 1.0 1.00 0.02 0.56) = 0.082% HB3 GLN 90 - HA ASP- 105 11.111% * 0.0761% (0.88 1.0 1.00 0.02 0.02) = 0.076% QB LYS+ 81 - HA ASP- 105 11.111% * 0.0675% (0.78 1.0 1.00 0.02 0.02) = 0.067% HB ILE 56 - HA ASP- 105 11.111% * 0.0142% (0.16 1.0 1.00 0.02 0.02) = 0.014% Peak 1751 (2.23, 1.86, 47.73 ppm): 6 chemical-shift based assignments, quality = 0.877, support = 2.61, residual support = 31.8: * O T HB2 ASP- 105 - HB3 ASP- 105 16.667% * 99.3651% (0.88 10.0 10.00 2.63 31.96) = 99.365% kept HG2 GLU- 100 - HB3 ASP- 105 16.667% * 0.4275% (0.96 1.0 1.00 0.08 0.02) = 0.427% HB3 ASP- 76 - HB3 ASP- 105 16.667% * 0.1120% (1.00 1.0 1.00 0.02 0.02) = 0.112% HB2 MET 96 - HB3 ASP- 105 16.667% * 0.0366% (0.32 1.0 1.00 0.02 0.02) = 0.037% HG3 MET 92 - HB3 ASP- 105 16.667% * 0.0366% (0.32 1.0 1.00 0.02 0.02) = 0.037% HB2 GLU- 29 - HB3 ASP- 105 16.667% * 0.0223% (0.20 1.0 1.00 0.02 0.02) = 0.022% 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 = 0.847, support = 4.29, residual support = 100.6: * O HG2 LYS+ 106 - HG3 LYS+ 106 8.333% * 77.6045% (1.00 10.0 4.37 101.04) = 77.604% kept O HG2 LYS+ 33 - HG3 LYS+ 33 8.333% * 20.3978% (0.26 10.0 4.33 108.90) = 20.398% kept QG LYS+ 81 - HG3 LYS+ 106 8.333% * 1.7792% (0.98 1.0 0.47 0.02) = 1.779% kept HG2 LYS+ 33 - HG3 LYS+ 106 8.333% * 0.0424% (0.55 1.0 0.02 0.34) = 0.042% HG2 LYS+ 106 - HG3 LYS+ 33 8.333% * 0.0374% (0.48 1.0 0.02 0.34) = 0.037% QG LYS+ 81 - HG3 LYS+ 33 8.333% * 0.0366% (0.47 1.0 0.02 4.99) = 0.037% HG2 LYS+ 106 - HG3 LYS+ 65 8.333% * 0.0273% (0.35 1.0 0.02 0.02) = 0.027% QG LYS+ 81 - HG3 LYS+ 65 8.333% * 0.0267% (0.34 1.0 0.02 0.30) = 0.027% HG2 LYS+ 33 - HG3 LYS+ 65 8.333% * 0.0149% (0.19 1.0 0.02 0.98) = 0.015% HG2 LYS+ 106 - HG3 LYS+ 102 8.333% * 0.0132% (0.17 1.0 0.02 0.02) = 0.013% QG LYS+ 81 - HG3 LYS+ 102 8.333% * 0.0129% (0.17 1.0 0.02 0.02) = 0.013% HG2 LYS+ 33 - HG3 LYS+ 102 8.333% * 0.0072% (0.09 1.0 0.02 0.02) = 0.007% 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 (0.29) kept HG3 LYS+ 65 - HG3 LYS+ 65 (0.26) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.15) kept Peak 1770 (1.82, 1.82, 28.60 ppm): 1 diagonal assignment: * HG12 ILE 103 - HG12 ILE 103 (0.37) kept Peak 1771 (1.82, 1.16, 28.60 ppm): 9 chemical-shift based assignments, quality = 0.585, support = 4.52, residual support = 106.6: * O T HG12 ILE 103 - HG13 ILE 103 11.111% * 84.3814% (0.61 10.0 10.00 4.56 123.24) = 84.381% kept QB LYS+ 102 - HG13 ILE 103 11.111% * 15.0983% (0.49 1.0 1.00 4.46 17.31) = 15.098% kept QB LYS+ 66 - HG13 ILE 103 11.111% * 0.1384% (1.00 1.0 1.00 0.02 0.02) = 0.138% HB VAL 41 - HG13 ILE 103 11.111% * 0.1162% (0.84 1.0 1.00 0.02 0.02) = 0.116% HG2 PRO 93 - HG13 ILE 103 11.111% * 0.1162% (0.84 1.0 1.00 0.02 0.02) = 0.116% QB LYS+ 65 - HG13 ILE 103 11.111% * 0.0452% (0.32 1.0 1.00 0.02 0.02) = 0.045% HB2 LEU 71 - HG13 ILE 103 11.111% * 0.0387% (0.28 1.0 1.00 0.02 0.02) = 0.039% HG LEU 123 - HG13 ILE 103 11.111% * 0.0328% (0.24 1.0 1.00 0.02 0.02) = 0.033% HB3 PRO 52 - HG13 ILE 103 11.111% * 0.0328% (0.24 1.0 1.00 0.02 0.02) = 0.033% 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 (0.04) 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 73 - HG LEU 73 (0.21) kept * HG LEU 80 - HG LEU 80 (0.14) kept HG LEU 40 - HG LEU 40 (0.04) kept HG12 ILE 19 - HG12 ILE 19 (0.02) 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 (0.06) kept Peak 1858 (1.48, 1.41, 36.69 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 5.79, residual support = 152.3: * O HB2 LYS+ 74 - HB3 LYS+ 74 16.667% * 99.6645% (0.61 10.0 5.81 152.81) = 99.664% kept HB3 LEU 40 - HB3 LYS+ 74 16.667% * 0.1286% (0.78 1.0 0.02 0.02) = 0.129% HG LEU 115 - HB3 LYS+ 74 16.667% * 0.0706% (0.43 1.0 0.02 0.02) = 0.071% QB ALA 120 - HB3 LYS+ 74 16.667% * 0.0706% (0.43 1.0 0.02 0.02) = 0.071% QG2 THR 26 - HB3 LYS+ 74 16.667% * 0.0387% (0.24 1.0 0.02 0.11) = 0.039% HG2 LYS+ 65 - HB3 LYS+ 74 16.667% * 0.0270% (0.16 1.0 0.02 0.02) = 0.027% 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): 4 chemical-shift based assignments, quality = 0.999, support = 4.97, residual support = 179.7: * O T HG12 ILE 89 - HG13 ILE 89 25.000% * 99.8659% (1.00 10.0 10.00 4.97 179.91) = 99.866% kept HG3 LYS+ 111 - HG13 ILE 89 25.000% * 0.0979% (0.98 1.0 1.00 0.02 0.52) = 0.098% HG LEU 71 - HG13 ILE 89 25.000% * 0.0198% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG2 LYS+ 74 - HG13 ILE 89 25.000% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% 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): 3 diagonal assignments: * HG LEU 73 - HG LEU 73 (1.00) kept HG LEU 40 - HG LEU 40 (0.05) kept HG LEU 80 - HG LEU 80 (0.01) 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 (0.10) 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): 4 chemical-shift based assignments, quality = 0.998, support = 2.67, residual support = 14.8: * O T HA ALA 57 - QB ALA 57 25.000% * 99.8301% (1.00 10.0 10.00 2.67 14.82) = 99.830% kept HA1 GLY 51 - QB ALA 57 25.000% * 0.0725% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA THR 39 - QB ALA 57 25.000% * 0.0545% (0.55 1.0 1.00 0.02 0.02) = 0.055% HA GLU- 79 - QB ALA 57 25.000% * 0.0429% (0.43 1.0 1.00 0.02 0.02) = 0.043% 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 (0.78) 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): 8 chemical-shift based assignments, quality = 0.985, support = 1.48, residual support = 7.2: * O T HA1 GLY 51 - HA2 GLY 51 12.500% * 98.5274% (1.00 10.0 10.00 1.50 7.31) = 98.527% kept T HA THR 39 - HA2 GLY 51 12.500% * 0.9419% (0.96 1.0 10.00 0.02 0.02) = 0.942% T HA ILE 103 - HA2 GLY 51 12.500% * 0.3199% (0.32 1.0 10.00 0.02 0.02) = 0.320% HA GLU- 79 - HA2 GLY 51 12.500% * 0.0870% (0.88 1.0 1.00 0.02 0.02) = 0.087% HA ALA 57 - HA2 GLY 51 12.500% * 0.0715% (0.73 1.0 1.00 0.02 0.02) = 0.072% HA SER 85 - HA2 GLY 51 12.500% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.019% HB THR 77 - HA2 GLY 51 12.500% * 0.0195% (0.20 1.0 1.00 0.02 0.02) = 0.019% HA ASP- 44 - HA2 GLY 51 12.500% * 0.0133% (0.14 1.0 1.00 0.02 0.02) = 0.013% 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 (0.30) 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 (0.36) kept Peak 2007 (1.07, 1.10, 23.10 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.69, residual support = 56.8: * O QG2 VAL 24 - QG1 VAL 24 33.333% * 99.8754% (1.00 10.0 2.70 56.88) = 99.875% kept HG LEU 63 - QG1 VAL 24 33.333% * 0.0922% (0.92 1.0 0.02 1.23) = 0.092% HG3 LYS+ 112 - QG1 VAL 24 33.333% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% 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 (0.10) kept HG LEU 73 - HG LEU 73 (0.05) 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 (0.24) kept Peak 2052 (1.43, 1.43, 42.52 ppm): 1 diagonal assignment: * HB3 LEU 67 - HB3 LEU 67 (0.78) kept Peak 2055 (1.46, 1.46, 26.01 ppm): 1 diagonal assignment: * HG LEU 67 - HG LEU 67 (1.00) 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): 1 diagonal assignment: * HD2 PRO 68 - HD2 PRO 68 (1.00) kept Peak 2067 (3.72, 3.72, 50.93 ppm): 1 diagonal assignment: * HD3 PRO 58 - HD3 PRO 58 (0.78) 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 (0.18) 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 (0.19) kept Peak 2133 (2.73, 2.03, 33.78 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 6.3, residual support = 124.6: * O T HG2 GLN 30 - HG3 GLN 30 16.667% * 96.5245% (1.00 10.0 10.00 6.50 129.04) = 96.525% kept HB3 ASN 28 - HG3 GLN 30 16.667% * 3.2920% (0.84 1.0 1.00 0.82 2.78) = 3.292% kept QE LYS+ 121 - HG3 GLN 30 16.667% * 0.1656% (0.43 1.0 1.00 0.08 1.91) = 0.166% HG2 GLN 30 - HB2 LYS+ 111 16.667% * 0.0079% (0.08 1.0 1.00 0.02 0.02) = 0.008% HB3 ASN 28 - HB2 LYS+ 111 16.667% * 0.0066% (0.07 1.0 1.00 0.02 0.02) = 0.007% QE LYS+ 121 - HB2 LYS+ 111 16.667% * 0.0034% (0.04 1.0 1.00 0.02 0.32) = 0.003% Peak 2134 (2.03, 2.03, 33.78 ppm): 2 diagonal assignments: * HG3 GLN 30 - HG3 GLN 30 (1.00) kept HB2 LYS+ 111 - HB2 LYS+ 111 (0.02) kept Peak 2141 (2.92, 1.55, 25.23 ppm): 15 chemical-shift based assignments, quality = 0.978, support = 4.18, residual support = 103.5: * O QE LYS+ 33 - HG2 LYS+ 33 6.667% * 94.9805% (1.00 10.0 4.35 108.90) = 94.980% kept QE LYS+ 65 - HG2 LYS+ 33 6.667% * 2.6307% (0.78 1.0 0.71 0.98) = 2.631% kept HB2 ASP- 78 - HG2 LYS+ 33 6.667% * 1.9827% (0.38 1.0 1.11 0.02) = 1.983% kept HB2 ASN 28 - HG2 LYS+ 33 6.667% * 0.0908% (0.96 1.0 0.02 0.02) = 0.091% QE LYS+ 33 - HG2 LYS+ 106 6.667% * 0.0412% (0.43 1.0 0.02 0.34) = 0.041% HB2 ASP- 86 - HG2 LYS+ 33 6.667% * 0.0408% (0.43 1.0 0.02 0.02) = 0.041% HB2 ASN 28 - HG2 LYS+ 106 6.667% * 0.0393% (0.41 1.0 0.02 0.02) = 0.039% QE LYS+ 33 - QG LYS+ 81 6.667% * 0.0363% (0.38 1.0 0.02 4.99) = 0.036% HB2 ASN 28 - QG LYS+ 81 6.667% * 0.0347% (0.37 1.0 0.02 0.02) = 0.035% QE LYS+ 65 - HG2 LYS+ 106 6.667% * 0.0322% (0.34 1.0 0.02 0.02) = 0.032% QE LYS+ 65 - QG LYS+ 81 6.667% * 0.0284% (0.30 1.0 0.02 0.30) = 0.028% HB2 ASP- 86 - HG2 LYS+ 106 6.667% * 0.0177% (0.19 1.0 0.02 0.02) = 0.018% HB2 ASP- 86 - QG LYS+ 81 6.667% * 0.0156% (0.16 1.0 0.02 0.02) = 0.016% HB2 ASP- 78 - HG2 LYS+ 106 6.667% * 0.0154% (0.16 1.0 0.02 0.02) = 0.015% HB2 ASP- 78 - QG LYS+ 81 6.667% * 0.0136% (0.14 1.0 0.02 0.36) = 0.014% Peak 2142 (1.55, 1.55, 25.23 ppm): 3 diagonal assignments: * HG2 LYS+ 33 - HG2 LYS+ 33 (1.00) kept QG LYS+ 81 - QG LYS+ 81 (0.25) kept HG2 LYS+ 106 - HG2 LYS+ 106 (0.24) kept Peak 2144 (1.55, 1.86, 32.27 ppm): 5 chemical-shift based assignments, quality = 0.876, support = 3.84, residual support = 73.2: * O T HG2 LYS+ 33 - QB LYS+ 33 20.000% * 66.0257% (1.00 10.0 10.00 5.32 108.90) = 66.026% kept T QG LYS+ 81 - QB LYS+ 33 20.000% * 24.9755% (0.67 1.0 10.00 1.13 4.99) = 24.975% kept T HG2 LYS+ 106 - QB LYS+ 33 20.000% * 8.9702% (0.55 1.0 10.00 0.50 0.34) = 8.970% kept HD3 LYS+ 74 - QB LYS+ 33 20.000% * 0.0156% (0.24 1.0 1.00 0.02 0.02) = 0.016% HB3 LYS+ 111 - QB LYS+ 33 20.000% * 0.0131% (0.20 1.0 1.00 0.02 0.02) = 0.013% Peak 2145 (3.02, 3.78, 58.04 ppm): 3 chemical-shift based assignments, quality = 0.993, support = 4.41, residual support = 193.9: * QE LYS+ 38 - HA LYS+ 38 33.333% * 99.2769% (1.00 4.44 195.26) = 99.277% kept QE LYS+ 102 - HA LYS+ 38 33.333% * 0.3733% (0.84 0.02 0.66) = 0.373% QE LYS+ 99 - HA LYS+ 38 33.333% * 0.3498% (0.78 0.02 0.60) = 0.350% 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 (0.18) kept QE LYS+ 102 - QE LYS+ 102 (0.17) 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 (0.25) 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 (0.84) kept HG3 LYS+ 102 - HG3 LYS+ 102 (0.76) kept HG3 LYS+ 106 - HG3 LYS+ 106 (0.26) kept Peak 2173 (2.93, 1.38, 25.13 ppm): 20 chemical-shift based assignments, quality = 0.844, support = 3.21, residual support = 76.9: * O T QE LYS+ 65 - HG3 LYS+ 65 5.000% * 42.6355% (1.00 10.0 10.00 4.08 106.91) = 42.636% kept O T QE LYS+ 33 - HG3 LYS+ 33 5.000% * 28.4992% (0.67 10.0 10.00 4.36 108.90) = 28.499% kept T QE LYS+ 65 - HG3 LYS+ 33 5.000% * 14.1136% (0.85 1.0 10.00 0.78 0.98) = 14.114% kept T QE LYS+ 33 - HG3 LYS+ 65 5.000% * 13.6150% (0.78 1.0 10.00 0.82 0.98) = 13.615% kept T QE LYS+ 65 - HG3 LYS+ 102 5.000% * 0.3384% (0.79 1.0 10.00 0.02 0.02) = 0.338% T QE LYS+ 33 - HG3 LYS+ 102 5.000% * 0.2649% (0.62 1.0 10.00 0.02 0.02) = 0.265% T QE LYS+ 65 - HG3 LYS+ 106 5.000% * 0.1498% (0.35 1.0 10.00 0.02 0.02) = 0.150% T QE LYS+ 33 - HG3 LYS+ 106 5.000% * 0.1172% (0.27 1.0 10.00 0.02 0.34) = 0.117% HB2 ASN 28 - HG3 LYS+ 65 5.000% * 0.0394% (0.92 1.0 1.00 0.02 0.02) = 0.039% HB2 ASP- 86 - HG3 LYS+ 65 5.000% * 0.0356% (0.84 1.0 1.00 0.02 0.02) = 0.036% HB2 ASN 28 - HG3 LYS+ 33 5.000% * 0.0336% (0.79 1.0 1.00 0.02 0.02) = 0.034% HB2 ASN 28 - HG3 LYS+ 102 5.000% * 0.0312% (0.73 1.0 1.00 0.02 0.02) = 0.031% HB2 ASP- 86 - HG3 LYS+ 33 5.000% * 0.0304% (0.71 1.0 1.00 0.02 0.02) = 0.030% HB2 ASP- 86 - HG3 LYS+ 102 5.000% * 0.0283% (0.66 1.0 1.00 0.02 0.02) = 0.028% HB2 ASN 35 - HG3 LYS+ 65 5.000% * 0.0138% (0.32 1.0 1.00 0.02 0.02) = 0.014% HB2 ASN 28 - HG3 LYS+ 106 5.000% * 0.0138% (0.32 1.0 1.00 0.02 0.02) = 0.014% HB2 ASP- 86 - HG3 LYS+ 106 5.000% * 0.0125% (0.29 1.0 1.00 0.02 0.02) = 0.013% HB2 ASN 35 - HG3 LYS+ 33 5.000% * 0.0118% (0.28 1.0 1.00 0.02 2.13) = 0.012% HB2 ASN 35 - HG3 LYS+ 102 5.000% * 0.0110% (0.26 1.0 1.00 0.02 0.48) = 0.011% HB2 ASN 35 - HG3 LYS+ 106 5.000% * 0.0049% (0.11 1.0 1.00 0.02 0.02) = 0.005% 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): 6 chemical-shift based assignments, quality = 0.996, support = 2.58, residual support = 66.2: * O T HB2 GLU- 29 - HG3 GLU- 29 16.667% * 99.6213% (1.00 10.0 10.00 2.59 66.47) = 99.621% kept T QG GLN 90 - HG3 GLU- 29 16.667% * 0.1639% (0.16 1.0 10.00 0.02 0.02) = 0.164% HG3 MET 92 - HG3 GLU- 29 16.667% * 0.0952% (0.96 1.0 1.00 0.02 0.02) = 0.095% HG12 ILE 119 - HG3 GLU- 29 16.667% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% HB2 ASP- 105 - HG3 GLU- 29 16.667% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HG3 GLU- 29 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 2179 (2.43, 2.16, 36.74 ppm): 5 chemical-shift based assignments, quality = 0.998, support = 3.47, residual support = 66.3: * O T HG2 GLU- 29 - HG3 GLU- 29 20.000% * 99.8006% (1.00 10.0 10.00 3.47 66.47) = 99.801% kept HB3 ASP- 86 - HG3 GLU- 29 20.000% * 0.0921% (0.92 1.0 1.00 0.02 0.16) = 0.092% QE LYS+ 112 - HG3 GLU- 29 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.55) = 0.037% HB3 PHE 45 - HG3 GLU- 29 20.000% * 0.0375% (0.38 1.0 1.00 0.02 0.02) = 0.037% HB3 ASP- 62 - HG3 GLU- 29 20.000% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% Peak 2192 (2.21, 1.79, 31.50 ppm): 6 chemical-shift based assignments, quality = 0.602, support = 3.05, residual support = 44.5: * O T QG GLN 17 - HB3 GLN 17 16.667% * 63.8928% (0.55 10.0 10.00 4.31 68.85) = 63.893% kept T HB VAL 70 - HB3 GLN 17 16.667% * 31.8248% (0.67 1.0 10.00 0.82 1.63) = 31.825% kept HB2 MET 96 - HB3 GLN 17 16.667% * 4.1620% (0.98 1.0 1.00 0.73 0.02) = 4.162% kept HG2 GLU- 100 - HB3 GLN 17 16.667% * 0.0439% (0.38 1.0 1.00 0.02 0.02) = 0.044% HB2 GLU- 25 - HB3 GLN 17 16.667% * 0.0439% (0.38 1.0 1.00 0.02 0.02) = 0.044% HB3 ASP- 76 - HB3 GLN 17 16.667% * 0.0325% (0.28 1.0 1.00 0.02 0.02) = 0.033% 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): 7 chemical-shift based assignments, quality = 0.997, support = 3.99, residual support = 68.6: * O T HA GLN 17 - HB3 GLN 17 14.286% * 99.6913% (1.00 10.0 10.00 4.00 68.85) = 99.691% kept HA SER 37 - HB3 GLN 17 14.286% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% HA THR 46 - HB3 GLN 17 14.286% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HA VAL 42 - HB3 GLN 17 14.286% * 0.0324% (0.32 1.0 1.00 0.02 0.02) = 0.032% HA GLU- 15 - HB3 GLN 17 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.16) = 0.028% HA SER 13 - HB3 GLN 17 14.286% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HA PRO 58 - HB3 GLN 17 14.286% * 0.0235% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 2196 (2.01, 1.79, 31.50 ppm): 8 chemical-shift based assignments, quality = 0.992, support = 3.9, residual support = 63.6: * O T HB2 GLN 17 - HB3 GLN 17 12.500% * 92.3725% (1.00 10.0 10.00 4.21 68.85) = 92.373% kept T QB GLU- 15 - HB3 GLN 17 12.500% * 6.8165% (1.00 1.0 10.00 0.15 0.16) = 6.817% kept T HB3 PRO 68 - HB3 GLN 17 12.500% * 0.5603% (0.61 1.0 10.00 0.02 0.02) = 0.560% HB2 LYS+ 111 - HB3 GLN 17 12.500% * 0.0905% (0.98 1.0 1.00 0.02 0.02) = 0.091% HB3 GLU- 25 - HB3 GLN 17 12.500% * 0.0815% (0.88 1.0 1.00 0.02 0.02) = 0.082% QB GLU- 114 - HB3 GLN 17 12.500% * 0.0347% (0.38 1.0 1.00 0.02 0.02) = 0.035% HB ILE 19 - HB3 GLN 17 12.500% * 0.0257% (0.28 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 68 - HB3 GLN 17 12.500% * 0.0183% (0.20 1.0 1.00 0.02 0.02) = 0.018% 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 (0.29) kept Peak 2204 (1.92, 4.31, 56.62 ppm): 4 chemical-shift based assignments, quality = 0.998, support = 2.95, residual support = 36.9: * O HB3 GLU- 14 - HA GLU- 14 25.000% * 99.8197% (1.00 10.0 2.96 36.96) = 99.820% kept HG3 MET 11 - HA GLU- 14 25.000% * 0.0881% (0.88 1.0 0.02 0.15) = 0.088% HB3 MET 96 - HA GLU- 14 25.000% * 0.0725% (0.73 1.0 0.02 0.02) = 0.072% HB2 LEU 40 - HA GLU- 14 25.000% * 0.0198% (0.20 1.0 0.02 0.02) = 0.020% 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): 5 chemical-shift based assignments, quality = 0.997, support = 3.96, residual support = 51.2: * O T HB2 MET 92 - HA MET 92 20.000% * 99.7106% (1.00 10.0 10.00 3.97 51.31) = 99.711% kept HB3 GLN 30 - HA MET 92 20.000% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HB3 PRO 58 - HA MET 92 20.000% * 0.0880% (0.88 1.0 1.00 0.02 0.02) = 0.088% HB3 LYS+ 38 - HA MET 92 20.000% * 0.0665% (0.67 1.0 1.00 0.02 0.02) = 0.067% HB ILE 56 - HA MET 92 20.000% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% Peak 2220 (1.69, 4.91, 52.55 ppm): 8 chemical-shift based assignments, quality = 0.954, support = 3.87, residual support = 45.4: * O T HB3 MET 92 - HA MET 92 12.500% * 88.3234% (1.00 10.0 10.00 3.97 51.31) = 88.323% kept HG3 PRO 93 - HA MET 92 12.500% * 9.1806% (0.55 1.0 1.00 3.81 0.75) = 9.181% kept HB2 LEU 73 - HA MET 92 12.500% * 2.2210% (0.92 1.0 1.00 0.54 0.02) = 2.221% kept HD2 LYS+ 111 - HA MET 92 12.500% * 0.0844% (0.96 1.0 1.00 0.02 0.02) = 0.084% QD LYS+ 106 - HA MET 92 12.500% * 0.0589% (0.67 1.0 1.00 0.02 0.02) = 0.059% HB2 LEU 123 - HA MET 92 12.500% * 0.0536% (0.61 1.0 1.00 0.02 0.02) = 0.054% QD LYS+ 99 - HA MET 92 12.500% * 0.0536% (0.61 1.0 1.00 0.02 0.02) = 0.054% QD LYS+ 102 - HA MET 92 12.500% * 0.0246% (0.28 1.0 1.00 0.02 0.02) = 0.025% 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): 6 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 51.1: * O T HG2 MET 92 - HA MET 92 16.667% * 99.6569% (1.00 10.0 10.00 2.25 51.31) = 99.657% kept HG3 GLU- 36 - HA MET 92 16.667% * 0.0997% (1.00 1.0 1.00 0.02 0.02) = 0.100% QG GLU- 114 - HA MET 92 16.667% * 0.0977% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB2 GLU- 79 - HA MET 92 16.667% * 0.0920% (0.92 1.0 1.00 0.02 0.02) = 0.092% HG2 PRO 52 - HA MET 92 16.667% * 0.0374% (0.38 1.0 1.00 0.02 0.02) = 0.037% HG3 GLU- 25 - HA MET 92 16.667% * 0.0164% (0.16 1.0 1.00 0.02 0.02) = 0.016% Peak 2224 (2.24, 4.91, 52.55 ppm): 6 chemical-shift based assignments, quality = 0.998, support = 3.96, residual support = 51.2: * O T HG3 MET 92 - HA MET 92 16.667% * 99.7538% (1.00 10.0 10.00 3.97 51.31) = 99.754% kept HB2 GLU- 29 - HA MET 92 16.667% * 0.0954% (0.96 1.0 1.00 0.02 0.02) = 0.095% HB2 ASP- 105 - HA MET 92 16.667% * 0.0605% (0.61 1.0 1.00 0.02 0.02) = 0.061% HG12 ILE 119 - HA MET 92 16.667% * 0.0428% (0.43 1.0 1.00 0.02 0.02) = 0.043% HB3 ASP- 76 - HA MET 92 16.667% * 0.0277% (0.28 1.0 1.00 0.02 0.02) = 0.028% HG2 GLU- 100 - HA MET 92 16.667% * 0.0197% (0.20 1.0 1.00 0.02 0.02) = 0.020% 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 = 0.872, support = 0.748, residual support = 0.472: HB VAL 108 - QB LYS+ 106 12.500% * 47.1622% (0.84 1.14 0.85) = 47.162% kept HB ILE 119 - QB LYS+ 106 12.500% * 26.7102% (1.00 0.54 0.25) = 26.710% kept HB2 GLN 30 - QB LYS+ 106 12.500% * 13.4124% (1.00 0.27 0.02) = 13.412% kept HG3 GLN 30 - QB LYS+ 106 12.500% * 10.5506% (0.73 0.29 0.02) = 10.551% kept HB3 GLU- 100 - QB LYS+ 106 12.500% * 0.9723% (0.98 0.02 0.02) = 0.972% HB2 ARG+ 54 - QB LYS+ 106 12.500% * 0.7203% (0.73 0.02 0.02) = 0.720% HB2 PRO 93 - QB LYS+ 106 12.500% * 0.2758% (0.28 0.02 0.02) = 0.276% HB3 PRO 68 - QB LYS+ 106 12.500% * 0.1963% (0.20 0.02 0.02) = 0.196% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2229 (9.12, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.546, support = 3.18, residual support = 12.6: O HN ASP- 76 - HA VAL 75 50.000% * 99.9638% (0.55 10.0 3.18 12.56) = 99.964% kept HN HIS 22 - HA VAL 75 50.000% * 0.0362% (0.20 1.0 0.02 0.02) = 0.036% Peak 2230 (8.53, 3.71, 61.73 ppm): 2 chemical-shift based assignments, quality = 0.796, support = 4.11, residual support = 62.1: O HN VAL 75 - HA VAL 75 50.000% * 87.0016% (0.78 10.0 4.33 70.97) = 87.002% kept HN ASP- 78 - HA VAL 75 50.000% * 12.9984% (0.88 1.0 2.65 2.82) = 12.998% kept Peak 2231 (4.88, 1.00, 35.37 ppm): 3 chemical-shift based assignments, quality = 0.786, support = 0.349, residual support = 1.78: HA HIS 122 - HB VAL 75 33.333% * 73.9121% (0.84 0.42 1.17) = 73.912% kept HA VAL 41 - HB VAL 75 33.333% * 16.5751% (0.92 0.08 0.02) = 16.575% kept HA PHE 45 - HB VAL 75 33.333% * 9.5129% (0.16 0.27 9.62) = 9.513% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2232 (6.85, 1.00, 35.37 ppm): 3 chemical-shift based assignments, quality = 0.617, support = 1.14, residual support = 6.57: QD PHE 45 - HB VAL 75 33.333% * 63.9756% (0.73 1.17 9.62) = 63.976% kept HD2 HIS 122 - HB VAL 75 33.333% * 35.4596% (0.43 1.10 1.17) = 35.460% kept HE22 GLN 116 - HB VAL 75 33.333% * 0.5648% (0.38 0.02 0.02) = 0.565% Peak 2233 (6.72, 1.00, 35.37 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 3.08, residual support = 13.2: T HZ PHE 72 - HB VAL 75 100.000% *100.0000% (0.61 10.00 3.08 13.18) = 100.000% kept Peak 2234 (8.54, 1.00, 35.37 ppm): 2 chemical-shift based assignments, quality = 0.957, support = 3.8, residual support = 68.3: O HN VAL 75 - HB VAL 75 50.000% * 96.1156% (0.98 10.0 3.87 70.97) = 96.116% kept HN ASP- 78 - HB VAL 75 50.000% * 3.8844% (0.38 1.0 2.11 2.82) = 3.884% kept Peak 2235 (6.71, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.676, support = 1.8, residual support = 13.2: HZ PHE 72 - QG1 VAL 75 50.000% * 80.5803% (0.78 1.87 13.18) = 80.580% kept QD PHE 72 - QG1 VAL 75 50.000% * 19.4197% (0.24 1.50 13.18) = 19.420% kept Peak 2236 (6.86, 0.44, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 2.39, residual support = 9.62: T QD PHE 45 - QG1 VAL 75 100.000% *100.0000% (1.00 10.00 2.39 9.62) = 100.000% kept Peak 2237 (8.53, 0.44, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.831, support = 3.83, residual support = 38.2: HN VAL 75 - QG1 VAL 75 50.000% * 51.9887% (0.78 4.19 70.97) = 51.989% kept HN ASP- 78 - QG1 VAL 75 50.000% * 48.0113% (0.88 3.44 2.82) = 48.011% kept Peak 2238 (9.12, 0.44, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 2.32, residual support = 3.44: HN VAL 108 - QG1 VAL 75 100.000% *100.0000% (0.49 2.32 3.44) = 100.000% kept Peak 2239 (3.09, 0.13, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 0.75, residual support = 1.56: HB2 CYS 21 - QG2 VAL 75 100.000% *100.0000% (0.55 0.75 1.56) = 100.000% kept Peak 2240 (6.37, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.421, support = 0.706, residual support = 7.16: HZ PHE 45 - QG2 VAL 75 50.000% * 67.2149% (0.55 0.59 9.62) = 67.215% kept HZ3 TRP 27 - QG2 VAL 75 50.000% * 32.7851% (0.16 0.95 2.11) = 32.785% kept Peak 2241 (6.69, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.956, support = 1.84, residual support = 11.2: QE PHE 45 - QG2 VAL 75 50.000% * 54.6168% (0.92 2.06 9.62) = 54.617% kept QD PHE 72 - QG2 VAL 75 50.000% * 45.3832% (1.00 1.59 13.18) = 45.383% kept Peak 2242 (7.33, 0.13, 21.81 ppm): 5 chemical-shift based assignments, quality = 0.714, support = 0.821, residual support = 1.39: HE3 TRP 27 - QG2 VAL 75 20.000% * 63.2055% (0.61 1.10 2.11) = 63.205% kept HN THR 23 - QG2 VAL 75 20.000% * 32.9044% (0.92 0.38 0.18) = 32.904% kept QE PHE 95 - QG2 VAL 75 20.000% * 1.8076% (0.96 0.02 0.02) = 1.808% kept QD PHE 55 - QG2 VAL 75 20.000% * 1.3730% (0.73 0.02 0.02) = 1.373% kept HN LEU 67 - QG2 VAL 75 20.000% * 0.7096% (0.38 0.02 0.02) = 0.710% Peak 2243 (8.53, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.818, support = 3.43, residual support = 47.0: HN VAL 75 - QG2 VAL 75 50.000% * 64.7619% (0.78 4.20 70.97) = 64.762% kept HN ASP- 78 - QG2 VAL 75 50.000% * 35.2381% (0.88 2.03 2.82) = 35.238% kept Peak 2244 (9.15, 0.13, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.375, support = 1.21, residual support = 3.39: HN VAL 108 - QG2 VAL 75 50.000% * 98.6066% (0.38 1.22 3.44) = 98.607% kept HN VAL 43 - QG2 VAL 75 50.000% * 1.3934% (0.32 0.02 0.02) = 1.393% kept Peak 2245 (9.13, 2.24, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.67, support = 1.21, residual support = 2.43: HN VAL 108 - HB3 ASP- 76 100.000% *100.0000% (0.67 1.21 2.43) = 100.000% kept Peak 2246 (9.12, 2.90, 42.19 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 1.21, residual support = 2.43: HN VAL 108 - HB2 ASP- 76 100.000% *100.0000% (0.49 1.21 2.43) = 100.000% kept Peak 2247 (8.10, 3.58, 65.17 ppm): 2 chemical-shift based assignments, quality = 0.368, support = 0.497, residual support = 0.31: HN THR 26 - HA THR 77 50.000% * 85.1846% (0.38 0.56 0.36) = 85.185% kept HN CYS 53 - HA THR 77 50.000% * 14.8154% (0.32 0.11 0.02) = 14.815% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2248 (8.54, 3.58, 65.17 ppm): 2 chemical-shift based assignments, quality = 0.429, support = 3.5, residual support = 16.6: O HN ASP- 78 - HA THR 77 50.000% * 91.0798% (0.38 10.0 3.77 18.18) = 91.080% kept HN VAL 75 - HA THR 77 50.000% * 8.9202% (0.98 1.0 0.75 0.90) = 8.920% kept Peak 2249 (9.29, 3.58, 65.17 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 3.98, residual support = 30.2: O HN THR 77 - HA THR 77 100.000% *100.0000% (0.24 10.0 3.98 30.21) = 100.000% kept Peak 2250 (6.87, 1.30, 23.34 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 1.22, residual support = 3.29: T QD PHE 45 - QG2 THR 77 100.000% *100.0000% (0.61 10.00 1.22 3.29) = 100.000% kept Peak 2251 (8.47, 1.30, 23.34 ppm): 5 chemical-shift based assignments, quality = 0.718, support = 2.1, residual support = 4.85: HN THR 46 - QG2 THR 77 20.000% * 97.3812% (0.73 2.16 4.98) = 97.381% kept HN LYS+ 74 - QG2 THR 77 20.000% * 1.1876% (0.96 0.02 0.02) = 1.188% kept HN MET 11 - QG2 THR 77 20.000% * 0.6047% (0.49 0.02 0.02) = 0.605% HN MET 92 - QG2 THR 77 20.000% * 0.5336% (0.43 0.02 0.02) = 0.534% HN LYS+ 112 - QG2 THR 77 20.000% * 0.2929% (0.24 0.02 0.02) = 0.293% Peak 2252 (9.28, 1.30, 23.34 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.38, residual support = 30.2: HN THR 77 - QG2 THR 77 100.000% *100.0000% (0.73 3.38 30.21) = 100.000% kept Peak 2253 (4.64, 1.48, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.347, support = 1.38, residual support = 3.05: HA ALA 20 - HB2 LYS+ 74 50.000% * 56.8363% (0.33 1.60 3.84) = 56.836% kept HA LEU 71 - HB2 LYS+ 74 50.000% * 43.1637% (0.37 1.09 2.00) = 43.164% kept Peak 2254 (4.64, 1.41, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.586, support = 1.82, residual support = 2.64: HA LEU 71 - HB3 LYS+ 74 50.000% * 65.2487% (0.61 2.13 2.00) = 65.249% kept HA ALA 20 - HB3 LYS+ 74 50.000% * 34.7513% (0.55 1.26 3.84) = 34.751% kept Peak 2255 (4.94, 1.41, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 6.24, residual support = 152.7: O HA LYS+ 74 - HB3 LYS+ 74 50.000% * 99.9465% (0.61 10.0 6.24 152.81) = 99.947% kept HA THR 94 - HB3 LYS+ 74 50.000% * 0.0535% (0.32 1.0 0.02 0.02) = 0.053% Peak 2256 (5.05, 2.06, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.198, support = 5.91, residual support = 120.6: O T HA PRO 93 - HB2 PRO 93 100.000% *100.0000% (0.20 10.0 10.00 5.91 120.60) = 100.000% kept Peak 2257 (1.71, 1.36, 34.10 ppm): 5 chemical-shift based assignments, quality = 0.657, support = 0.376, residual support = 0.207: HB3 LYS+ 99 - HB3 PRO 93 20.000% * 33.0043% (0.61 0.42 0.26) = 33.004% kept QD LYS+ 99 - HB3 PRO 93 20.000% * 33.0043% (0.61 0.42 0.26) = 33.004% kept QG1 ILE 56 - HB3 PRO 93 20.000% * 31.8467% (0.78 0.31 0.11) = 31.847% kept QD LYS+ 106 - HB3 PRO 93 20.000% * 1.4212% (0.55 0.02 0.02) = 1.421% kept HB2 LEU 73 - HB3 PRO 93 20.000% * 0.7236% (0.28 0.02 0.02) = 0.724% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2258 (2.07, 1.36, 34.10 ppm): 6 chemical-shift based assignments, quality = 0.604, support = 5.6, residual support = 120.2: O HB2 PRO 93 - HB3 PRO 93 16.667% * 99.6370% (0.61 10.0 5.62 120.60) = 99.637% kept HG2 MET 11 - HB3 PRO 93 16.667% * 0.0996% (0.61 1.0 0.02 0.02) = 0.100% HB2 GLU- 14 - HB3 PRO 93 16.667% * 0.0897% (0.55 1.0 0.02 0.02) = 0.090% HG2 PRO 58 - HB3 PRO 93 16.667% * 0.0706% (0.43 1.0 0.02 0.02) = 0.071% HG3 PRO 52 - HB3 PRO 93 16.667% * 0.0706% (0.43 1.0 0.02 0.02) = 0.071% HB2 ARG+ 54 - HB3 PRO 93 16.667% * 0.0325% (0.20 1.0 0.02 0.02) = 0.033% Peak 2259 (5.06, 1.36, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 4.9, residual support = 120.6: O HA PRO 93 - HB3 PRO 93 100.000% *100.0000% (0.84 10.0 4.90 120.60) = 100.000% kept Peak 2260 (6.87, 1.36, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 0.219, residual support = 2.3: QD PHE 45 - HB3 PRO 93 100.000% *100.0000% (0.55 0.22 2.30) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2263 (0.74, 2.73, 33.78 ppm): 6 chemical-shift based assignments, quality = 0.7, support = 0.836, residual support = 1.41: QD2 LEU 104 - HG2 GLN 30 16.667% * 80.1261% (0.67 1.02 1.75) = 80.126% kept QD1 ILE 19 - HG2 GLN 30 16.667% * 14.3616% (0.88 0.14 0.02) = 14.362% kept QG2 THR 46 - HG2 GLN 30 16.667% * 2.1808% (0.92 0.02 0.02) = 2.181% kept QG2 VAL 18 - HG2 GLN 30 16.667% * 1.8491% (0.78 0.02 0.02) = 1.849% kept QG1 VAL 43 - HG2 GLN 30 16.667% * 1.0148% (0.43 0.02 0.02) = 1.015% kept QG1 VAL 41 - HG2 GLN 30 16.667% * 0.4675% (0.20 0.02 0.02) = 0.468% Peak 2264 (1.52, 2.73, 33.78 ppm): 8 chemical-shift based assignments, quality = 0.497, support = 0.983, residual support = 2.16: T HD2 LYS+ 121 - HG2 GLN 30 12.500% * 55.4972% (0.55 10.00 1.28 1.91) = 55.497% kept T HB3 LYS+ 121 - HG2 GLN 30 12.500% * 21.7112% (0.49 10.00 0.56 1.91) = 21.711% kept T QG2 THR 26 - HG2 GLN 30 12.500% * 18.1811% (0.32 10.00 0.71 3.48) = 18.181% kept HG LEU 104 - HG2 GLN 30 12.500% * 2.8680% (0.49 1.00 0.74 1.75) = 2.868% kept T QD LYS+ 66 - HG2 GLN 30 12.500% * 1.5788% (1.00 10.00 0.02 0.02) = 1.579% kept HG2 LYS+ 65 - HG2 GLN 30 12.500% * 0.0682% (0.43 1.00 0.02 0.02) = 0.068% HB3 LYS+ 111 - HG2 GLN 30 12.500% * 0.0515% (0.32 1.00 0.02 0.02) = 0.052% HD3 LYS+ 74 - HG2 GLN 30 12.500% * 0.0441% (0.28 1.00 0.02 0.02) = 0.044% Peak 2265 (0.36, 1.19, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 6.3, residual support = 181.8: O T HG2 LYS+ 112 - HB3 LYS+ 112 33.333% * 96.6832% (0.88 10.0 10.00 6.49 188.03) = 96.683% kept QB ALA 47 - HB3 LYS+ 112 33.333% * 3.2156% (0.78 1.0 1.00 0.75 0.02) = 3.216% kept QG1 VAL 42 - HB3 LYS+ 112 33.333% * 0.1011% (0.92 1.0 1.00 0.02 0.02) = 0.101% Peak 2266 (3.47, 1.19, 32.81 ppm): 2 chemical-shift based assignments, quality = 0.487, support = 6.19, residual support = 188.0: O T HA LYS+ 112 - HB3 LYS+ 112 50.000% * 99.9662% (0.49 10.0 10.00 6.19 188.03) = 99.966% kept HB2 HIS 122 - HB3 LYS+ 112 50.000% * 0.0338% (0.16 1.0 1.00 0.02 0.15) = 0.034% Peak 2267 (8.49, 1.19, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.922, support = 5.07, residual support = 187.7: O HN LYS+ 112 - HB3 LYS+ 112 33.333% * 99.8268% (0.92 10.0 5.08 188.03) = 99.827% kept HN MET 11 - HB3 LYS+ 112 33.333% * 0.1076% (1.00 1.0 0.02 0.02) = 0.108% HN LYS+ 74 - HB3 LYS+ 112 33.333% * 0.0656% (0.61 1.0 0.02 0.34) = 0.066% Peak 2268 (8.50, 1.37, 32.81 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 5.23, residual support = 187.7: O HN LYS+ 112 - HB2 LYS+ 112 25.000% * 99.8211% (0.67 10.0 5.24 188.03) = 99.821% kept HN LYS+ 112 - HB VAL 42 25.000% * 0.0785% (0.52 1.0 0.02 0.02) = 0.079% HN MET 11 - HB2 LYS+ 112 25.000% * 0.0562% (0.38 1.0 0.02 0.02) = 0.056% HN MET 11 - HB VAL 42 25.000% * 0.0442% (0.30 1.0 0.02 0.02) = 0.044% Peak 2269 (5.28, 1.39, 32.90 ppm): 2 chemical-shift based assignments, quality = 0.688, support = 0.526, residual support = 0.993: HA PHE 72 - HB VAL 42 50.000% * 98.0719% (0.69 0.54 1.01) = 98.072% kept HA PHE 72 - HB2 LYS+ 112 50.000% * 1.9281% (0.37 0.02 0.02) = 1.928% kept Peak 2270 (8.95, 1.39, 32.90 ppm): 6 chemical-shift based assignments, quality = 0.594, support = 4.79, residual support = 59.5: O HN VAL 42 - HB VAL 42 16.667% * 86.5681% (0.61 10.0 5.22 68.59) = 86.568% kept HN LEU 73 - HB VAL 42 16.667% * 10.1076% (0.61 1.0 2.34 1.06) = 10.108% kept HN LYS+ 106 - HB VAL 42 16.667% * 2.6600% (0.27 1.0 1.37 0.90) = 2.660% kept HN VAL 42 - HB2 LYS+ 112 16.667% * 0.5981% (0.32 1.0 0.26 0.02) = 0.598% HN LEU 73 - HB2 LYS+ 112 16.667% * 0.0456% (0.32 1.0 0.02 3.96) = 0.046% HN LYS+ 106 - HB2 LYS+ 112 16.667% * 0.0205% (0.14 1.0 0.02 0.02) = 0.021% Peak 2271 (7.30, 1.39, 32.90 ppm): 4 chemical-shift based assignments, quality = 0.424, support = 1.7, residual support = 1.35: QD PHE 60 - HB VAL 42 25.000% * 63.8951% (0.40 2.26 2.04) = 63.895% kept HN LYS+ 81 - HB VAL 42 25.000% * 19.0772% (0.71 0.38 0.22) = 19.077% kept QD PHE 60 - HB2 LYS+ 112 25.000% * 16.4930% (0.21 1.11 0.02) = 16.493% kept HN LYS+ 81 - HB2 LYS+ 112 25.000% * 0.5347% (0.38 0.02 0.02) = 0.535% Peak 2272 (6.71, 1.39, 32.90 ppm): 4 chemical-shift based assignments, quality = 0.242, support = 0.769, residual support = 0.998: T QD PHE 72 - HB VAL 42 25.000% * 80.3361% (0.17 10.00 0.83 1.01) = 80.336% kept HZ PHE 72 - HB VAL 42 25.000% * 18.3004% (0.57 1.00 0.57 1.01) = 18.300% kept T QD PHE 72 - HB2 LYS+ 112 25.000% * 1.0237% (0.09 10.00 0.02 0.02) = 1.024% kept HZ PHE 72 - HB2 LYS+ 112 25.000% * 0.3399% (0.30 1.00 0.02 0.02) = 0.340% Peak 2273 (8.88, 4.14, 45.70 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 0.75, residual support = 1.5: HN LEU 40 - HA1 GLY 101 100.000% *100.0000% (1.00 0.75 1.50) = 100.000% kept Peak 2274 (8.87, 3.52, 45.70 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 0.75, residual support = 1.5: HN LEU 40 - HA2 GLY 101 100.000% *100.0000% (0.61 0.75 1.50) = 100.000% kept Peak 2275 (8.24, 4.31, 53.06 ppm): 1 chemical-shift based assignment, quality = 0.67, support = 1.74, residual support = 3.26: O HN SER 13 - HA ALA 12 100.000% *100.0000% (0.67 10.0 1.74 3.26) = 100.000% kept Peak 2276 (8.38, 4.31, 53.06 ppm): 2 chemical-shift based assignments, quality = 0.694, support = 2.2, residual support = 12.0: O HN ALA 12 - HA ALA 12 50.000% * 99.9661% (0.69 10.0 2.20 11.97) = 99.966% kept HN ASN 35 - HA ALA 12 50.000% * 0.0339% (0.24 1.0 0.02 0.02) = 0.034% Peak 2277 (8.36, 1.39, 19.22 ppm): 2 chemical-shift based assignments, quality = 0.174, support = 2.19, residual support = 11.9: O HN ALA 12 - QB ALA 12 50.000% * 99.5797% (0.17 10.0 2.20 11.97) = 99.580% kept HN ASN 35 - QB ALA 12 50.000% * 0.4203% (0.74 1.0 0.02 0.02) = 0.420% Peak 2278 (8.39, 4.29, 56.56 ppm): 3 chemical-shift based assignments, quality = 0.374, support = 3.36, residual support = 9.53: O HN ALA 12 - HA MET 11 33.333% * 99.6778% (0.38 10.0 3.37 9.56) = 99.678% kept HN LEU 115 - HA MET 11 33.333% * 0.1611% (0.61 1.0 0.02 0.02) = 0.161% HN PHE 97 - HA MET 11 33.333% * 0.1611% (0.61 1.0 0.02 0.02) = 0.161% Peak 2279 (8.38, 1.92, 30.22 ppm): 8 chemical-shift based assignments, quality = 0.893, support = 3.3, residual support = 9.11: HN ALA 12 - HG3 MET 11 12.500% * 95.3081% (0.92 3.44 9.56) = 95.308% kept HN ALA 12 - HB3 GLU- 14 12.500% * 4.2540% (0.31 0.46 0.02) = 4.254% kept HN ASN 35 - HG3 MET 11 12.500% * 0.1667% (0.28 0.02 0.02) = 0.167% HN PHE 97 - HG3 MET 11 12.500% * 0.0811% (0.14 0.02 0.02) = 0.081% HN LEU 115 - HG3 MET 11 12.500% * 0.0811% (0.14 0.02 0.02) = 0.081% HN ASN 35 - HB3 GLU- 14 12.500% * 0.0552% (0.09 0.02 0.02) = 0.055% HN LEU 115 - HB3 GLU- 14 12.500% * 0.0269% (0.04 0.02 0.02) = 0.027% HN PHE 97 - HB3 GLU- 14 12.500% * 0.0269% (0.04 0.02 0.02) = 0.027% Peak 2280 (8.32, 4.41, 58.75 ppm): 15 chemical-shift based assignments, quality = 0.831, support = 1.94, residual support = 5.62: O HN GLU- 14 - HA SER 13 6.667% * 99.5072% (0.84 10.0 1.95 5.65) = 99.507% kept HN GLN 30 - HA SER 13 6.667% * 0.0740% (0.61 1.0 0.02 0.02) = 0.074% HE1 HIS 122 - HA SER 13 6.667% * 0.0740% (0.61 1.0 0.02 0.02) = 0.074% HN ASP- 86 - HA SER 13 6.667% * 0.0594% (0.49 1.0 0.02 0.02) = 0.059% HN LYS+ 99 - HA SER 13 6.667% * 0.0594% (0.49 1.0 0.02 0.02) = 0.059% HN GLU- 14 - HA THR 46 6.667% * 0.0358% (0.29 1.0 0.02 0.02) = 0.036% HN GLU- 14 - HA SER 37 6.667% * 0.0267% (0.22 1.0 0.02 0.02) = 0.027% HE1 HIS 122 - HA THR 46 6.667% * 0.0260% (0.21 1.0 0.02 0.78) = 0.026% HN GLN 30 - HA THR 46 6.667% * 0.0260% (0.21 1.0 0.02 0.02) = 0.026% HN LYS+ 99 - HA THR 46 6.667% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HN ASP- 86 - HA THR 46 6.667% * 0.0208% (0.17 1.0 0.02 0.02) = 0.021% HN GLN 30 - HA SER 37 6.667% * 0.0194% (0.16 1.0 0.02 0.02) = 0.019% HE1 HIS 122 - HA SER 37 6.667% * 0.0194% (0.16 1.0 0.02 0.02) = 0.019% HN ASP- 86 - HA SER 37 6.667% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% HN LYS+ 99 - HA SER 37 6.667% * 0.0156% (0.13 1.0 0.02 0.02) = 0.016% Peak 2281 (8.93, 4.41, 58.75 ppm): 9 chemical-shift based assignments, quality = 0.32, support = 0.8, residual support = 1.63: HN ILE 19 - HA THR 46 11.111% * 72.3584% (0.34 0.95 2.20) = 72.358% kept HN VAL 42 - HA THR 46 11.111% * 14.5193% (0.10 0.68 0.23) = 14.519% kept HN LEU 73 - HA THR 46 11.111% * 4.5819% (0.10 0.21 0.02) = 4.582% kept HN ILE 19 - HA SER 13 11.111% * 4.3164% (0.98 0.02 0.02) = 4.316% kept HN LEU 73 - HA SER 13 11.111% * 1.2244% (0.28 0.02 0.02) = 1.224% kept HN VAL 42 - HA SER 13 11.111% * 1.2244% (0.28 0.02 0.02) = 1.224% kept HN ILE 19 - HA SER 37 11.111% * 1.1327% (0.26 0.02 0.02) = 1.133% kept HN LEU 73 - HA SER 37 11.111% * 0.3213% (0.07 0.02 0.02) = 0.321% HN VAL 42 - HA SER 37 11.111% * 0.3213% (0.07 0.02 0.02) = 0.321% Peak 2282 (7.91, 3.88, 64.19 ppm): 6 chemical-shift based assignments, quality = 0.643, support = 2.86, residual support = 23.8: O HN SER 37 - HB3 SER 37 16.667% * 98.4213% (0.65 10.0 2.90 24.23) = 98.421% kept HN ILE 89 - HB3 SER 37 16.667% * 0.9635% (0.64 1.0 0.20 0.02) = 0.964% HN ILE 119 - HB3 SER 37 16.667% * 0.4698% (0.44 1.0 0.14 1.95) = 0.470% HN SER 37 - QB SER 13 16.667% * 0.0547% (0.36 1.0 0.02 0.02) = 0.055% HN ILE 89 - QB SER 13 16.667% * 0.0534% (0.35 1.0 0.02 0.02) = 0.053% HN ILE 119 - QB SER 13 16.667% * 0.0372% (0.25 1.0 0.02 0.02) = 0.037% Peak 2283 (4.34, 1.92, 30.50 ppm): 4 chemical-shift based assignments, quality = 0.888, support = 0.192, residual support = 0.145: HA TRP 87 - HB3 GLU- 14 25.000% * 82.1417% (1.00 0.22 0.17) = 82.142% kept HA PHE 59 - HB3 GLU- 14 25.000% * 14.2741% (0.43 0.09 0.02) = 14.274% kept HA TRP 87 - HG3 MET 11 25.000% * 2.5035% (0.33 0.02 0.02) = 2.503% kept HA PHE 59 - HG3 MET 11 25.000% * 1.0808% (0.14 0.02 0.02) = 1.081% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2285 (8.33, 1.92, 30.50 ppm): 6 chemical-shift based assignments, quality = 0.832, support = 3.64, residual support = 36.8: O HN GLU- 14 - HB3 GLU- 14 16.667% * 99.6525% (0.84 10.0 3.65 36.96) = 99.652% kept HN LYS+ 99 - HB3 GLU- 14 16.667% * 0.1193% (1.00 1.0 0.02 0.02) = 0.119% HE1 HIS 122 - HB3 GLU- 14 16.667% * 0.1169% (0.98 1.0 0.02 0.02) = 0.117% HN LYS+ 99 - HG3 MET 11 16.667% * 0.0395% (0.33 1.0 0.02 0.02) = 0.040% HE1 HIS 122 - HG3 MET 11 16.667% * 0.0387% (0.32 1.0 0.02 0.02) = 0.039% HN GLU- 14 - HG3 MET 11 16.667% * 0.0330% (0.28 1.0 0.02 0.15) = 0.033% Peak 2286 (8.34, 2.08, 30.50 ppm): 8 chemical-shift based assignments, quality = 0.196, support = 3.62, residual support = 36.7: O HN GLU- 14 - HB2 GLU- 14 12.500% * 99.2757% (0.20 10.0 3.65 36.96) = 99.276% kept HN LYS+ 99 - HB2 GLU- 14 12.500% * 0.2442% (0.49 1.0 0.02 0.02) = 0.244% HE1 HIS 122 - HB2 GLU- 14 12.500% * 0.1883% (0.38 1.0 0.02 0.02) = 0.188% HN LYS+ 99 - HG2 MET 11 12.500% * 0.0912% (0.18 1.0 0.02 0.02) = 0.091% HE1 HIS 122 - HG2 MET 11 12.500% * 0.0703% (0.14 1.0 0.02 0.02) = 0.070% HN ASN 35 - HB2 GLU- 14 12.500% * 0.0679% (0.14 1.0 0.02 0.02) = 0.068% HN GLU- 14 - HG2 MET 11 12.500% * 0.0371% (0.07 1.0 0.02 0.15) = 0.037% HN ASN 35 - HG2 MET 11 12.500% * 0.0254% (0.05 1.0 0.02 0.02) = 0.025% Peak 2289 (8.65, 4.41, 56.54 ppm): 6 chemical-shift based assignments, quality = 0.914, support = 1.59, residual support = 2.96: O HN GLY 16 - HA GLU- 15 16.667% * 99.0072% (0.92 10.0 1.61 2.99) = 99.007% kept HN SER 117 - HA GLU- 15 16.667% * 0.7385% (0.61 1.0 0.18 0.02) = 0.738% HN GLY 16 - HA LEU 40 16.667% * 0.0929% (0.70 1.0 0.02 0.35) = 0.093% HN SER 117 - HA LEU 40 16.667% * 0.0610% (0.46 1.0 0.02 0.02) = 0.061% HN SER 82 - HA GLU- 15 16.667% * 0.0573% (0.43 1.0 0.02 0.02) = 0.057% HN SER 82 - HA LEU 40 16.667% * 0.0432% (0.32 1.0 0.02 0.02) = 0.043% Peak 2290 (8.81, 4.13, 56.27 ppm): 2 chemical-shift based assignments, quality = 0.669, support = 4.8, residual support = 86.2: O HN ASN 28 - HA ASN 28 50.000% * 98.1619% (0.67 10.0 4.88 87.83) = 98.162% kept HN ASN 69 - HA ASN 28 50.000% * 1.8381% (0.78 1.0 0.32 0.02) = 1.838% kept Peak 2291 (1.36, 4.13, 56.27 ppm): 10 chemical-shift based assignments, quality = 0.971, support = 0.507, residual support = 1.28: T QB ALA 84 - HA ASN 28 10.000% * 93.6923% (1.00 10.00 0.54 1.37) = 93.692% kept T QB ALA 124 - HA ASN 28 10.000% * 2.7367% (0.78 10.00 0.02 0.02) = 2.737% kept HG LEU 98 - HA ASN 28 10.000% * 1.8847% (0.92 1.00 0.12 0.02) = 1.885% kept HG3 LYS+ 106 - HA ASN 28 10.000% * 0.8155% (0.32 1.00 0.14 0.02) = 0.816% HB3 PRO 93 - HA ASN 28 10.000% * 0.3496% (1.00 1.00 0.02 0.02) = 0.350% HB3 ASP- 44 - HA ASN 28 10.000% * 0.1909% (0.55 1.00 0.02 0.02) = 0.191% HB2 LEU 63 - HA ASN 28 10.000% * 0.1312% (0.38 1.00 0.02 2.19) = 0.131% HB3 LEU 80 - HA ASN 28 10.000% * 0.0824% (0.24 1.00 0.02 0.52) = 0.082% HB2 LYS+ 112 - HA ASN 28 10.000% * 0.0692% (0.20 1.00 0.02 0.02) = 0.069% HG3 LYS+ 102 - HA ASN 28 10.000% * 0.0473% (0.14 1.00 0.02 0.02) = 0.047% Peak 2292 (0.79, 4.13, 56.27 ppm): 4 chemical-shift based assignments, quality = 0.503, support = 1.74, residual support = 4.9: HG LEU 31 - HA ASN 28 25.000% * 64.4657% (0.32 2.51 6.33) = 64.466% kept QD1 ILE 56 - HA ASN 28 25.000% * 27.5618% (0.92 0.38 2.96) = 27.562% kept HG3 LYS+ 121 - HA ASN 28 25.000% * 7.1103% (0.55 0.16 0.02) = 7.110% kept QD2 LEU 73 - HA ASN 28 25.000% * 0.8623% (0.55 0.02 0.34) = 0.862% Peak 2293 (8.65, 3.96, 45.84 ppm): 3 chemical-shift based assignments, quality = 0.918, support = 2.48, residual support = 4.77: O HN GLY 16 - HA2 GLY 16 33.333% * 98.3645% (0.92 10.0 2.52 4.85) = 98.364% kept HN SER 117 - HA2 GLY 16 33.333% * 1.5897% (0.61 1.0 0.49 0.29) = 1.590% kept HN SER 82 - HA2 GLY 16 33.333% * 0.0458% (0.43 1.0 0.02 0.02) = 0.046% Peak 2294 (7.70, 3.96, 45.84 ppm): 5 chemical-shift based assignments, quality = 0.376, support = 2.84, residual support = 11.7: O HN GLN 17 - HA2 GLY 16 20.000% * 94.6577% (0.38 10.0 2.96 12.33) = 94.658% kept HN ALA 61 - HA2 GLY 16 20.000% * 2.7179% (0.20 1.0 1.09 0.72) = 2.718% kept HE3 TRP 87 - HA2 GLY 16 20.000% * 2.5330% (0.61 1.0 0.33 0.02) = 2.533% kept HN TRP 87 - HA2 GLY 16 20.000% * 0.0499% (0.20 1.0 0.02 0.02) = 0.050% HD21 ASN 69 - HA2 GLY 16 20.000% * 0.0415% (0.16 1.0 0.02 0.02) = 0.041% Peak 2295 (7.70, 4.04, 45.84 ppm): 5 chemical-shift based assignments, quality = 0.376, support = 3.49, residual support = 11.7: O HN GLN 17 - HA1 GLY 16 20.000% * 94.6577% (0.38 10.0 3.65 12.33) = 94.658% kept HN ALA 61 - HA1 GLY 16 20.000% * 2.7179% (0.20 1.0 1.09 0.72) = 2.718% kept HE3 TRP 87 - HA1 GLY 16 20.000% * 2.5330% (0.61 1.0 0.33 0.02) = 2.533% kept HN TRP 87 - HA1 GLY 16 20.000% * 0.0499% (0.20 1.0 0.02 0.02) = 0.050% HD21 ASN 69 - HA1 GLY 16 20.000% * 0.0415% (0.16 1.0 0.02 0.02) = 0.041% Peak 2296 (8.64, 4.04, 45.84 ppm): 2 chemical-shift based assignments, quality = 0.277, support = 2.51, residual support = 4.83: O HN GLY 16 - HA1 GLY 16 50.000% * 99.6434% (0.28 10.0 2.52 4.85) = 99.643% kept HN SER 82 - HA1 GLY 16 50.000% * 0.3566% (1.00 1.0 0.02 0.02) = 0.357% Peak 2297 (1.80, 2.21, 33.80 ppm): 10 chemical-shift based assignments, quality = 0.303, support = 4.03, residual support = 58.5: O T HB3 GLN 17 - QG GLN 17 10.000% * 80.3936% (0.30 10.0 10.00 4.31 68.85) = 80.394% kept HB2 LEU 71 - HB VAL 70 10.000% * 8.8532% (0.12 1.0 1.00 5.50 35.72) = 8.853% kept HB2 LEU 71 - QG GLN 17 10.000% * 6.3413% (0.52 1.0 1.00 0.90 0.02) = 6.341% kept QB LYS+ 65 - QG GLN 17 10.000% * 3.9775% (0.50 1.0 1.00 0.59 0.02) = 3.978% kept T HB3 GLN 17 - HB VAL 70 10.000% * 0.1840% (0.07 1.0 10.00 0.02 1.63) = 0.184% QB LYS+ 102 - QG GLN 17 10.000% * 0.1152% (0.43 1.0 1.00 0.02 0.02) = 0.115% HG2 PRO 93 - QG GLN 17 10.000% * 0.0632% (0.23 1.0 1.00 0.02 0.02) = 0.063% QB LYS+ 65 - HB VAL 70 10.000% * 0.0311% (0.12 1.0 1.00 0.02 0.02) = 0.031% QB LYS+ 102 - HB VAL 70 10.000% * 0.0264% (0.10 1.0 1.00 0.02 0.02) = 0.026% HG2 PRO 93 - HB VAL 70 10.000% * 0.0145% (0.05 1.0 1.00 0.02 0.02) = 0.014% Peak 2298 (7.70, 2.21, 33.80 ppm): 10 chemical-shift based assignments, quality = 0.181, support = 4.58, residual support = 56.0: HN GLN 17 - QG GLN 17 10.000% * 80.3247% (0.20 5.38 68.85) = 80.325% kept HD21 ASN 69 - HB VAL 70 10.000% * 4.7781% (0.02 3.19 13.99) = 4.778% kept HN GLN 17 - HB VAL 70 10.000% * 4.4828% (0.05 1.31 1.63) = 4.483% kept HD21 ASN 69 - QG GLN 17 10.000% * 3.8717% (0.09 0.59 0.02) = 3.872% kept HN ALA 61 - QG GLN 17 10.000% * 2.5010% (0.11 0.32 0.02) = 2.501% kept HE3 TRP 87 - HB VAL 70 10.000% * 1.9689% (0.08 0.36 0.02) = 1.969% kept HE3 TRP 87 - QG GLN 17 10.000% * 1.8434% (0.33 0.08 0.02) = 1.843% kept HN TRP 87 - QG GLN 17 10.000% * 0.1573% (0.11 0.02 0.02) = 0.157% HN TRP 87 - HB VAL 70 10.000% * 0.0360% (0.02 0.02 0.02) = 0.036% HN ALA 61 - HB VAL 70 10.000% * 0.0360% (0.02 0.02 0.02) = 0.036% Peak 2299 (8.27, 2.21, 33.80 ppm): 2 chemical-shift based assignments, quality = 0.516, support = 5.32, residual support = 38.6: HN VAL 18 - QG GLN 17 50.000% * 93.5008% (0.54 5.57 41.16) = 93.501% kept HN VAL 18 - HB VAL 70 50.000% * 6.4992% (0.12 1.69 2.03) = 6.499% kept Peak 2300 (7.70, 1.79, 31.50 ppm): 5 chemical-shift based assignments, quality = 0.372, support = 4.99, residual support = 67.9: O HN GLN 17 - HB3 GLN 17 20.000% * 98.6664% (0.38 10.0 5.05 68.85) = 98.666% kept HD21 ASN 69 - HB3 GLN 17 20.000% * 1.0701% (0.16 1.0 0.49 0.02) = 1.070% kept HE3 TRP 87 - HB3 GLN 17 20.000% * 0.1595% (0.61 1.0 0.02 0.02) = 0.159% HN TRP 87 - HB3 GLN 17 20.000% * 0.0520% (0.20 1.0 0.02 0.02) = 0.052% HN ALA 61 - HB3 GLN 17 20.000% * 0.0520% (0.20 1.0 0.02 0.02) = 0.052% Peak 2301 (8.27, 1.79, 31.50 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 5.24, residual support = 41.2: HN VAL 18 - HB3 GLN 17 100.000% *100.0000% (1.00 5.24 41.16) = 100.000% kept Peak 2302 (1.80, 4.42, 54.38 ppm): 5 chemical-shift based assignments, quality = 0.592, support = 3.6, residual support = 59.8: O T HB3 GLN 17 - HA GLN 17 20.000% * 86.9094% (0.55 10.0 10.00 4.00 68.85) = 86.909% kept QB LYS+ 65 - HA GLN 17 20.000% * 8.8090% (0.92 1.0 1.00 1.20 0.02) = 8.809% kept HB2 LEU 71 - HA GLN 17 20.000% * 3.7472% (0.96 1.0 1.00 0.49 0.02) = 3.747% kept HG2 PRO 93 - HA GLN 17 20.000% * 0.4098% (0.43 1.0 1.00 0.12 0.02) = 0.410% QB LYS+ 102 - HA GLN 17 20.000% * 0.1246% (0.78 1.0 1.00 0.02 0.02) = 0.125% Peak 2303 (1.80, 2.01, 31.84 ppm): 15 chemical-shift based assignments, quality = 0.14, support = 3.51, residual support = 56.7: O T HB3 GLN 17 - HB2 GLN 17 6.667% * 82.3429% (0.13 10.0 10.00 4.21 68.85) = 82.343% kept T HB3 GLN 17 - QB GLU- 15 6.667% * 6.8204% (0.15 1.0 10.00 0.15 0.16) = 6.820% kept QB LYS+ 65 - HB2 GLN 17 6.667% * 3.1067% (0.22 1.0 1.00 0.45 0.02) = 3.107% kept HB2 LEU 71 - HB2 GLN 17 6.667% * 2.4857% (0.23 1.0 1.00 0.34 0.02) = 2.486% kept QB LYS+ 102 - QB GLU- 15 6.667% * 2.2201% (0.21 1.0 1.00 0.34 0.02) = 2.220% kept T HB3 GLN 17 - HB3 PRO 68 6.667% * 1.5649% (0.25 1.0 10.00 0.02 0.02) = 1.565% kept HB2 LEU 71 - HB3 PRO 68 6.667% * 0.2740% (0.44 1.0 1.00 0.02 0.02) = 0.274% QB LYS+ 65 - HB3 PRO 68 6.667% * 0.2645% (0.42 1.0 1.00 0.02 0.02) = 0.265% QB LYS+ 102 - HB3 PRO 68 6.667% * 0.2243% (0.36 1.0 1.00 0.02 0.02) = 0.224% HB2 LEU 71 - QB GLU- 15 6.667% * 0.1618% (0.26 1.0 1.00 0.02 0.02) = 0.162% QB LYS+ 65 - QB GLU- 15 6.667% * 0.1562% (0.25 1.0 1.00 0.02 0.02) = 0.156% HG2 PRO 93 - HB3 PRO 68 6.667% * 0.1231% (0.20 1.0 1.00 0.02 0.02) = 0.123% QB LYS+ 102 - HB2 GLN 17 6.667% * 0.1180% (0.19 1.0 1.00 0.02 0.02) = 0.118% HG2 PRO 93 - QB GLU- 15 6.667% * 0.0727% (0.12 1.0 1.00 0.02 0.02) = 0.073% HG2 PRO 93 - HB2 GLN 17 6.667% * 0.0648% (0.10 1.0 1.00 0.02 0.02) = 0.065% Peak 2304 (4.75, 2.01, 31.84 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2305 (8.27, 2.01, 31.84 ppm): 3 chemical-shift based assignments, quality = 0.248, support = 5.04, residual support = 39.4: HN VAL 18 - HB2 GLN 17 33.333% * 95.7129% (0.24 5.27 41.16) = 95.713% kept HN VAL 18 - HB3 PRO 68 33.333% * 3.8791% (0.46 0.11 0.02) = 3.879% kept HN VAL 18 - QB GLU- 15 33.333% * 0.4080% (0.27 0.02 0.02) = 0.408% Peak 2306 (8.28, 4.42, 54.38 ppm): 2 chemical-shift based assignments, quality = 0.667, support = 5.24, residual support = 41.2: O HN VAL 18 - HA GLN 17 50.000% * 99.9703% (0.67 10.0 5.24 41.16) = 99.970% kept HN GLU- 29 - HA GLN 17 50.000% * 0.0297% (0.20 1.0 0.02 0.02) = 0.030% Peak 2307 (0.38, 4.42, 54.38 ppm): 3 chemical-shift based assignments, quality = 0.425, support = 1.15, residual support = 1.6: T QB ALA 64 - HA GLN 17 33.333% * 97.9674% (0.43 10.00 1.17 1.63) = 97.967% kept T QB ALA 47 - HA GLN 17 33.333% * 1.2628% (0.32 10.00 0.02 0.02) = 1.263% kept T QG1 VAL 42 - HA GLN 17 33.333% * 0.7698% (0.20 10.00 0.02 0.02) = 0.770% Peak 2308 (8.28, 1.96, 32.56 ppm): 2 chemical-shift based assignments, quality = 0.667, support = 4.96, residual support = 62.5: O HN VAL 18 - HB VAL 18 50.000% * 99.9703% (0.67 10.0 4.96 62.50) = 99.970% kept HN GLU- 29 - HB VAL 18 50.000% * 0.0297% (0.20 1.0 0.02 0.02) = 0.030% Peak 2309 (2.84, 4.00, 62.64 ppm): 2 chemical-shift based assignments, quality = 0.916, support = 0.712, residual support = 9.66: HA ALA 64 - HA VAL 18 50.000% * 94.7686% (0.96 1.00 0.75 10.19) = 94.769% kept T HB2 PHE 72 - HA VAL 18 50.000% * 5.2314% (0.20 10.00 0.02 0.02) = 5.231% kept Peak 2310 (8.94, 4.00, 62.64 ppm): 3 chemical-shift based assignments, quality = 0.482, support = 3.94, residual support = 15.6: O HN ILE 19 - HA VAL 18 33.333% * 98.9296% (0.49 10.0 3.99 15.72) = 98.930% kept HN VAL 42 - HA VAL 18 33.333% * 0.9006% (0.84 1.0 0.11 0.02) = 0.901% HN LEU 73 - HA VAL 18 33.333% * 0.1698% (0.84 1.0 0.02 0.02) = 0.170% Peak 2311 (1.46, 0.86, 22.91 ppm): 8 chemical-shift based assignments, quality = 0.868, support = 0.283, residual support = 0.0196: HG LEU 67 - QG1 VAL 18 12.500% * 29.8753% (1.00 0.31 0.02) = 29.875% kept HB3 LEU 115 - QG1 VAL 18 12.500% * 28.2265% (0.98 0.30 0.02) = 28.227% kept HG LEU 40 - QG1 VAL 18 12.500% * 24.2772% (0.98 0.26 0.02) = 24.277% kept HG LEU 73 - QG1 VAL 18 12.500% * 10.6088% (0.32 0.34 0.02) = 10.609% kept QB ALA 120 - QG1 VAL 18 12.500% * 4.9364% (0.43 0.12 0.02) = 4.936% kept HG2 LYS+ 102 - QG1 VAL 18 12.500% * 0.9349% (0.49 0.02 0.02) = 0.935% HG LEU 115 - QG1 VAL 18 12.500% * 0.8250% (0.43 0.02 0.02) = 0.825% HB3 LEU 40 - QG1 VAL 18 12.500% * 0.3159% (0.16 0.02 0.02) = 0.316% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2312 (1.29, 0.76, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.313, support = 1.37, residual support = 1.81: T QB ALA 34 - QG1 VAL 41 16.667% * 74.6176% (0.20 10.00 1.38 2.00) = 74.618% kept QG2 THR 23 - QG1 VAL 41 16.667% * 24.8518% (0.67 1.00 1.37 1.28) = 24.852% kept QG2 THR 23 - QG2 VAL 18 16.667% * 0.1984% (0.36 1.00 0.02 0.02) = 0.198% QG2 THR 77 - QG1 VAL 41 16.667% * 0.1768% (0.32 1.00 0.02 0.02) = 0.177% QG2 THR 77 - QG2 VAL 18 16.667% * 0.0966% (0.18 1.00 0.02 0.02) = 0.097% QB ALA 34 - QG2 VAL 18 16.667% * 0.0589% (0.11 1.00 0.02 0.12) = 0.059% Peak 2313 (1.82, 0.76, 22.78 ppm): 14 chemical-shift based assignments, quality = 0.621, support = 3.26, residual support = 44.5: O T HB VAL 41 - QG1 VAL 41 7.143% * 80.0041% (0.67 10.0 10.00 3.94 55.52) = 80.004% kept T HB VAL 41 - QG2 VAL 18 7.143% * 10.0068% (0.36 1.0 10.00 0.46 0.02) = 10.007% kept QB LYS+ 66 - QG1 VAL 41 7.143% * 3.4202% (0.92 1.0 1.00 0.62 0.54) = 3.420% kept QB LYS+ 65 - QG2 VAL 18 7.143% * 2.2260% (0.27 1.0 1.00 1.40 0.13) = 2.226% kept HB2 LEU 71 - QG1 VAL 41 7.143% * 1.7783% (0.43 1.0 1.00 0.69 1.29) = 1.778% kept QB LYS+ 66 - QG2 VAL 18 7.143% * 1.2273% (0.50 1.0 1.00 0.41 0.55) = 1.227% kept QB LYS+ 102 - QG2 VAL 18 7.143% * 0.9137% (0.36 1.0 1.00 0.42 0.02) = 0.914% HG2 PRO 93 - QG1 VAL 41 7.143% * 0.1147% (0.96 1.0 1.00 0.02 0.02) = 0.115% QB LYS+ 102 - QG1 VAL 41 7.143% * 0.0800% (0.67 1.0 1.00 0.02 0.02) = 0.080% HG2 PRO 93 - QG2 VAL 18 7.143% * 0.0626% (0.52 1.0 1.00 0.02 0.02) = 0.063% QB LYS+ 65 - QG1 VAL 41 7.143% * 0.0584% (0.49 1.0 1.00 0.02 0.02) = 0.058% HG12 ILE 103 - QG1 VAL 41 7.143% * 0.0515% (0.43 1.0 1.00 0.02 0.02) = 0.052% HB2 LEU 71 - QG2 VAL 18 7.143% * 0.0281% (0.23 1.0 1.00 0.02 0.02) = 0.028% HG12 ILE 103 - QG2 VAL 18 7.143% * 0.0281% (0.23 1.0 1.00 0.02 0.02) = 0.028% Peak 2314 (1.49, 0.75, 22.78 ppm): 15 chemical-shift based assignments, quality = 0.388, support = 1.64, residual support = 3.49: HB3 LEU 40 - QG1 VAL 41 6.667% * 42.0989% (0.18 3.51 8.23) = 42.099% kept QG2 THR 26 - QG2 VAL 18 6.667% * 12.4361% (0.67 0.28 0.02) = 12.436% kept HG2 LYS+ 65 - QG2 VAL 18 6.667% * 11.8756% (0.55 0.32 0.13) = 11.876% kept QG2 THR 26 - QG1 VAL 41 6.667% * 9.9313% (0.36 0.40 0.02) = 9.931% kept HB2 LYS+ 74 - QG2 VAL 18 6.667% * 7.2855% (0.98 0.11 0.02) = 7.286% kept HB3 LEU 40 - QG2 VAL 18 6.667% * 7.1806% (0.32 0.33 0.02) = 7.181% kept HB2 LYS+ 74 - QG1 VAL 41 6.667% * 4.3804% (0.54 0.12 0.02) = 4.380% kept HG2 LYS+ 65 - QG1 VAL 41 6.667% * 3.6137% (0.30 0.18 0.02) = 3.614% kept HD2 LYS+ 121 - QG2 VAL 18 6.667% * 0.5804% (0.43 0.02 0.02) = 0.580% HD2 LYS+ 121 - QG1 VAL 41 6.667% * 0.3169% (0.23 0.02 0.02) = 0.317% HB2 LYS+ 74 - QD2 LEU 104 6.667% * 0.0999% (0.07 0.02 0.02) = 0.100% QG2 THR 26 - QD2 LEU 104 6.667% * 0.0680% (0.05 0.02 0.02) = 0.068% HG2 LYS+ 65 - QD2 LEU 104 6.667% * 0.0557% (0.04 0.02 0.02) = 0.056% HD2 LYS+ 121 - QD2 LEU 104 6.667% * 0.0438% (0.03 0.02 0.02) = 0.044% HB3 LEU 40 - QD2 LEU 104 6.667% * 0.0331% (0.02 0.02 0.02) = 0.033% Peak 2315 (3.75, 0.75, 22.78 ppm): 9 chemical-shift based assignments, quality = 0.428, support = 0.687, residual support = 1.42: T HA ALA 61 - QG1 VAL 41 11.111% * 87.7808% (0.40 10.00 0.72 1.59) = 87.781% kept HA ALA 61 - QG2 VAL 18 11.111% * 11.0362% (0.73 1.00 0.49 0.14) = 11.036% kept HD2 PRO 68 - QG2 VAL 18 11.111% * 0.5873% (0.96 1.00 0.02 0.02) = 0.587% HD2 PRO 68 - QG1 VAL 41 11.111% * 0.3207% (0.52 1.00 0.02 0.02) = 0.321% HA VAL 24 - QG2 VAL 18 11.111% * 0.1216% (0.20 1.00 0.02 0.02) = 0.122% HA VAL 24 - QG1 VAL 41 11.111% * 0.0664% (0.11 1.00 0.02 0.02) = 0.066% HD2 PRO 68 - QD2 LEU 104 11.111% * 0.0443% (0.07 1.00 0.02 0.02) = 0.044% HA ALA 61 - QD2 LEU 104 11.111% * 0.0337% (0.05 1.00 0.02 0.02) = 0.034% HA VAL 24 - QD2 LEU 104 11.111% * 0.0092% (0.01 1.00 0.02 0.02) = 0.009% Peak 2316 (4.86, 0.76, 22.78 ppm): 4 chemical-shift based assignments, quality = 0.456, support = 3.24, residual support = 47.0: O T HA VAL 41 - QG1 VAL 41 25.000% * 84.5450% (0.38 10.0 10.00 3.66 55.52) = 84.545% kept HA PHE 45 - QG1 VAL 41 25.000% * 12.5712% (1.00 1.0 1.00 1.12 0.56) = 12.571% kept HA PHE 45 - QG2 VAL 18 25.000% * 2.4221% (0.54 1.0 1.00 0.40 0.02) = 2.422% kept T HA VAL 41 - QG2 VAL 18 25.000% * 0.4617% (0.20 1.0 10.00 0.02 0.02) = 0.462% Peak 2317 (7.29, 0.86, 22.91 ppm): 3 chemical-shift based assignments, quality = 0.759, support = 0.631, residual support = 0.589: QD PHE 60 - QG1 VAL 18 33.333% * 57.1665% (1.00 0.50 0.64) = 57.167% kept HN LYS+ 66 - QG1 VAL 18 33.333% * 41.3014% (0.43 0.84 0.55) = 41.301% kept HN LYS+ 81 - QG1 VAL 18 33.333% * 1.5321% (0.67 0.02 0.02) = 1.532% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2318 (8.26, 0.86, 22.91 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 5.29, residual support = 62.5: HN VAL 18 - QG1 VAL 18 50.000% * 99.9257% (0.84 5.29 62.50) = 99.926% kept HN SER 13 - QG1 VAL 18 50.000% * 0.0743% (0.16 0.02 0.02) = 0.074% Peak 2319 (8.45, 0.86, 22.91 ppm): 2 chemical-shift based assignments, quality = 0.619, support = 0.847, residual support = 0.643: HN THR 46 - QG1 VAL 18 50.000% * 55.1754% (0.49 1.09 0.94) = 55.175% kept HN MET 92 - QG1 VAL 18 50.000% * 44.8246% (0.78 0.55 0.27) = 44.825% kept Peak 2320 (8.92, 0.86, 22.91 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 4.32, residual support = 15.7: HN ILE 19 - QG1 VAL 18 100.000% *100.0000% (0.67 4.32 15.72) = 100.000% kept Peak 2321 (7.28, 0.75, 22.78 ppm): 12 chemical-shift based assignments, quality = 0.586, support = 1.32, residual support = 0.639: QD PHE 60 - QG2 VAL 18 8.333% * 29.8973% (0.61 1.38 0.64) = 29.897% kept QD PHE 60 - QG1 VAL 41 8.333% * 25.3217% (0.33 2.15 0.86) = 25.322% kept HN LYS+ 66 - QG2 VAL 18 8.333% * 22.1049% (0.96 0.65 0.55) = 22.105% kept HN LYS+ 66 - QG1 VAL 41 8.333% * 20.2914% (0.52 1.09 0.54) = 20.291% kept QE PHE 59 - QG2 VAL 18 8.333% * 1.2272% (0.28 0.12 0.02) = 1.227% kept HN LYS+ 81 - QG1 VAL 41 8.333% * 0.8245% (0.09 0.26 0.02) = 0.824% HN LYS+ 81 - QG2 VAL 18 8.333% * 0.1171% (0.16 0.02 0.02) = 0.117% QE PHE 59 - QG1 VAL 41 8.333% * 0.1081% (0.15 0.02 0.02) = 0.108% HN LYS+ 66 - QD2 LEU 104 8.333% * 0.0514% (0.07 0.02 0.02) = 0.051% QD PHE 60 - QD2 LEU 104 8.333% * 0.0326% (0.05 0.02 0.02) = 0.033% QE PHE 59 - QD2 LEU 104 8.333% * 0.0149% (0.02 0.02 0.02) = 0.015% HN LYS+ 81 - QD2 LEU 104 8.333% * 0.0088% (0.01 0.02 0.02) = 0.009% Peak 2322 (8.28, 0.75, 22.78 ppm): 6 chemical-shift based assignments, quality = 0.331, support = 4.5, residual support = 54.4: HN VAL 18 - QG2 VAL 18 16.667% * 86.9758% (0.32 5.12 62.50) = 86.976% kept HN GLU- 29 - QG2 VAL 18 16.667% * 8.5244% (0.49 0.33 0.02) = 8.524% kept HN VAL 18 - QG1 VAL 41 16.667% * 4.1577% (0.18 0.45 0.02) = 4.158% kept HN GLU- 29 - QG1 VAL 41 16.667% * 0.2781% (0.27 0.02 0.02) = 0.278% HN GLU- 29 - QD2 LEU 104 16.667% * 0.0384% (0.04 0.02 0.02) = 0.038% HN VAL 18 - QD2 LEU 104 16.667% * 0.0256% (0.02 0.02 0.02) = 0.026% 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 = 0.114, support = 4.82, residual support = 67.6: HN VAL 83 - QG1 VAL 83 33.333% * 90.8362% (0.10 5.29 74.41) = 90.836% kept HN TRP 49 - QG1 VAL 83 33.333% * 7.3199% (0.20 0.21 0.02) = 7.320% kept HN CYS 50 - QG1 VAL 83 33.333% * 1.8439% (0.53 0.02 0.02) = 1.844% kept Peak 2326 (1.09, 0.60, 22.78 ppm): 3 chemical-shift based assignments, quality = 0.187, support = 0.631, residual support = 0.596: QG1 VAL 24 - QG1 VAL 83 33.333% * 55.7697% (0.17 0.75 0.62) = 55.770% kept QG2 VAL 24 - QG1 VAL 83 33.333% * 39.6495% (0.17 0.53 0.62) = 39.649% kept QG1 VAL 107 - QG1 VAL 83 33.333% * 4.5809% (0.53 0.02 0.02) = 4.581% kept Not enough quality. Peak unassigned. 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 = 0.599, support = 0.0654, residual support = 0.02: HB2 GLU- 100 - HA ILE 19 25.000% * 50.7966% (0.43 0.11 0.02) = 50.797% kept HB2 PRO 58 - HA ILE 19 25.000% * 18.0487% (0.84 0.02 0.02) = 18.049% kept HB3 PHE 97 - HA ILE 19 25.000% * 18.0487% (0.84 0.02 0.02) = 18.049% kept HB2 GLN 116 - HA ILE 19 25.000% * 13.1060% (0.61 0.02 0.02) = 13.106% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2330 (8.72, 4.18, 60.49 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 4.91, residual support = 17.1: O HN ALA 20 - HA ILE 19 100.000% *100.0000% (0.49 10.0 4.91 17.07) = 100.000% kept Peak 2331 (8.93, 4.18, 60.49 ppm): 3 chemical-shift based assignments, quality = 0.949, support = 5.2, residual support = 100.1: O HN ILE 19 - HA ILE 19 33.333% * 99.2510% (0.96 10.0 5.24 100.87) = 99.251% kept HN VAL 42 - HA ILE 19 33.333% * 0.7153% (0.32 1.0 0.42 0.02) = 0.715% HN LEU 73 - HA ILE 19 33.333% * 0.0337% (0.32 1.0 0.02 5.10) = 0.034% Peak 2332 (5.57, 2.00, 37.78 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 2.28, residual support = 5.1: HA LEU 73 - HB ILE 19 100.000% *100.0000% (0.88 2.28 5.10) = 100.000% kept Peak 2333 (8.94, 2.00, 37.78 ppm): 3 chemical-shift based assignments, quality = 0.48, support = 3.86, residual support = 82.3: O HN ILE 19 - HB ILE 19 33.333% * 80.8582% (0.38 10.0 4.48 100.87) = 80.858% kept HN LEU 73 - HB ILE 19 33.333% * 14.7913% (0.92 1.0 1.49 5.10) = 14.791% kept HN VAL 42 - HB ILE 19 33.333% * 4.3504% (0.92 1.0 0.44 0.02) = 4.350% kept 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): 2 chemical-shift based assignments, quality = 0.388, support = 0.02, residual support = 0.355: QD2 LEU 67 - HG13 ILE 19 50.000% * 88.8807% (0.43 0.02 0.40) = 88.881% kept QD2 LEU 67 - HG LEU 71 50.000% * 11.1193% (0.05 0.02 0.02) = 11.119% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2342 (8.94, 1.25, 27.25 ppm): 6 chemical-shift based assignments, quality = 0.323, support = 3.97, residual support = 82.5: HN ILE 19 - HG13 ILE 19 16.667% * 81.3309% (0.38 4.50 100.87) = 81.331% kept HN LEU 73 - HG LEU 71 16.667% * 12.2085% (0.12 2.19 2.83) = 12.209% kept HN ILE 19 - HG LEU 71 16.667% * 3.2521% (0.05 1.44 2.91) = 3.252% kept HN VAL 42 - HG LEU 71 16.667% * 1.4284% (0.12 0.26 0.02) = 1.428% kept HN LEU 73 - HG13 ILE 19 16.667% * 0.8900% (0.92 0.02 5.10) = 0.890% HN VAL 42 - HG13 ILE 19 16.667% * 0.8900% (0.92 0.02 0.02) = 0.890% 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): 2 chemical-shift based assignments, quality = 0.594, support = 0.208, residual support = 0.02: HN CYS 50 - QD1 ILE 19 50.000% * 94.6501% (0.61 0.22 0.02) = 94.650% kept HN TRP 49 - QD1 ILE 19 50.000% * 5.3499% (0.38 0.02 0.02) = 5.350% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2346 (8.98, 0.74, 12.33 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 0.02, residual support = 0.02: HN LYS+ 106 - QD1 ILE 19 100.000% *100.0000% (0.61 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2347 (4.18, 1.14, 19.25 ppm): 4 chemical-shift based assignments, quality = 0.818, support = 3.32, residual support = 16.5: HA ILE 19 - QB ALA 20 25.000% * 96.6341% (0.84 3.43 17.07) = 96.634% kept HA CYS 53 - QB ALA 20 25.000% * 2.4733% (0.43 0.17 0.02) = 2.473% kept HA GLU- 25 - QB ALA 20 25.000% * 0.6738% (1.00 0.02 0.02) = 0.674% HA SER 82 - QB ALA 20 25.000% * 0.2188% (0.32 0.02 0.02) = 0.219% Peak 2348 (2.80, 1.14, 19.25 ppm): 4 chemical-shift based assignments, quality = 0.818, support = 0.0883, residual support = 0.458: QB CYS 50 - QB ALA 20 25.000% * 70.9907% (0.84 0.12 0.02) = 70.991% kept HB3 ASN 69 - QB ALA 20 25.000% * 13.4984% (0.92 0.02 0.02) = 13.498% kept QE LYS+ 74 - QB ALA 20 25.000% * 11.4452% (0.78 0.02 3.84) = 11.445% kept HB2 PHE 72 - QB ALA 20 25.000% * 4.0657% (0.28 0.02 0.02) = 4.066% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2349 (7.35, 1.14, 19.25 ppm): 6 chemical-shift based assignments, quality = 0.748, support = 1.31, residual support = 1.57: HD2 HIS 22 - QB ALA 20 16.667% * 54.7281% (0.84 1.63 2.12) = 54.728% kept HD1 TRP 49 - QB ALA 20 16.667% * 21.0686% (0.98 0.53 0.13) = 21.069% kept HN THR 23 - QB ALA 20 16.667% * 16.4600% (0.24 1.74 2.24) = 16.460% kept HN LEU 67 - QB ALA 20 16.667% * 5.2636% (0.78 0.17 0.10) = 5.264% kept QE PHE 95 - QB ALA 20 16.667% * 2.2901% (0.20 0.29 0.45) = 2.290% kept HD21 ASN 35 - QB ALA 20 16.667% * 0.1896% (0.24 0.02 0.02) = 0.190% Peak 2350 (7.93, 1.14, 19.25 ppm): 3 chemical-shift based assignments, quality = 0.879, support = 3.25, residual support = 13.9: HN CYS 21 - QB ALA 20 33.333% * 99.6118% (0.88 3.26 13.99) = 99.612% kept HN LYS+ 33 - QB ALA 20 33.333% * 0.2249% (0.32 0.02 0.02) = 0.225% HN ILE 119 - QB ALA 20 33.333% * 0.1633% (0.24 0.02 0.02) = 0.163% Peak 2351 (8.73, 1.14, 19.25 ppm): 2 chemical-shift based assignments, quality = 0.403, support = 0.02, residual support = 0.02: HN PHE 45 - QB ALA 20 50.000% * 71.0950% (0.49 0.02 0.02) = 71.095% kept HN ALA 110 - QB ALA 20 50.000% * 28.9050% (0.20 0.02 0.02) = 28.905% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2352 (1.84, 3.08, 28.30 ppm): 9 chemical-shift based assignments, quality = 0.815, support = 1.05, residual support = 0.881: HG LEU 123 - HB2 CYS 21 11.111% * 35.3987% (0.96 1.17 1.03) = 35.399% kept HB3 PRO 52 - HB2 CYS 21 11.111% * 35.3987% (0.96 1.17 1.03) = 35.399% kept HG12 ILE 103 - HB2 CYS 21 11.111% * 17.3545% (0.61 0.91 0.45) = 17.354% kept HB ILE 103 - HB2 CYS 21 11.111% * 5.5402% (0.24 0.74 0.45) = 5.540% kept HB VAL 41 - HB2 CYS 21 11.111% * 5.2430% (0.38 0.44 0.90) = 5.243% kept HG3 PRO 68 - HB2 CYS 21 11.111% * 0.7320% (0.28 0.08 0.02) = 0.732% HG2 ARG+ 54 - HB2 CYS 21 11.111% * 0.1250% (0.20 0.02 0.02) = 0.125% HB3 ASP- 105 - HB2 CYS 21 11.111% * 0.1039% (0.16 0.02 0.02) = 0.104% QB LYS+ 66 - HB2 CYS 21 11.111% * 0.1039% (0.16 0.02 0.02) = 0.104% Peak 2353 (0.57, 3.08, 28.30 ppm): 4 chemical-shift based assignments, quality = 0.699, support = 1.65, residual support = 3.24: QD1 LEU 63 - HB2 CYS 21 25.000% * 41.4527% (0.61 2.12 3.80) = 41.453% kept QD2 LEU 63 - HB2 CYS 21 25.000% * 40.9252% (0.84 1.52 3.80) = 40.925% kept QD1 LEU 73 - HB2 CYS 21 25.000% * 17.5158% (0.61 0.89 0.64) = 17.516% kept QD2 LEU 115 - HB2 CYS 21 25.000% * 0.1063% (0.16 0.02 0.02) = 0.106% Peak 2354 (4.60, 3.08, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.828, support = 2.46, residual support = 28.0: O T HA CYS 21 - HB2 CYS 21 20.000% * 97.9834% (0.84 10.0 10.00 2.50 28.57) = 97.983% kept HA TRP 49 - HB2 CYS 21 20.000% * 1.8338% (0.55 1.0 1.00 0.57 0.02) = 1.834% kept HA LYS+ 102 - HB2 CYS 21 20.000% * 0.1121% (0.96 1.0 1.00 0.02 0.02) = 0.112% HA1 GLY 109 - HB2 CYS 21 20.000% * 0.0381% (0.32 1.0 1.00 0.02 0.02) = 0.038% HA CYS 50 - HB2 CYS 21 20.000% * 0.0326% (0.28 1.0 1.00 0.02 0.02) = 0.033% Peak 2355 (7.35, 3.08, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.769, support = 2.69, residual support = 4.17: HD2 HIS 22 - HB2 CYS 21 16.667% * 66.6830% (0.84 3.41 5.77) = 66.683% kept HN THR 23 - HB2 CYS 21 16.667% * 13.3585% (0.24 2.42 2.40) = 13.359% kept HD1 TRP 49 - HB2 CYS 21 16.667% * 12.8731% (0.98 0.56 0.02) = 12.873% kept HN LEU 67 - HB2 CYS 21 16.667% * 6.8821% (0.78 0.38 0.02) = 6.882% kept HD21 ASN 35 - HB2 CYS 21 16.667% * 0.1105% (0.24 0.02 0.02) = 0.110% QE PHE 95 - HB2 CYS 21 16.667% * 0.0928% (0.20 0.02 0.02) = 0.093% Peak 2356 (7.93, 3.08, 28.30 ppm): 3 chemical-shift based assignments, quality = 0.882, support = 3.37, residual support = 28.6: O HN CYS 21 - HB2 CYS 21 33.333% * 99.9365% (0.88 10.0 3.38 28.57) = 99.937% kept HN LYS+ 33 - HB2 CYS 21 33.333% * 0.0368% (0.32 1.0 0.02 0.02) = 0.037% HN ILE 119 - HB2 CYS 21 33.333% * 0.0267% (0.24 1.0 0.02 0.02) = 0.027% Peak 2358 (1.84, 2.60, 28.30 ppm): 9 chemical-shift based assignments, quality = 0.346, support = 0.905, residual support = 0.867: HG LEU 123 - HB3 CYS 21 11.111% * 35.0284% (0.41 1.01 1.03) = 35.028% kept HB3 PRO 52 - HB3 CYS 21 11.111% * 35.0284% (0.41 1.01 1.03) = 35.028% kept HG12 ILE 103 - HB3 CYS 21 11.111% * 17.0668% (0.26 0.78 0.45) = 17.067% kept HB ILE 103 - HB3 CYS 21 11.111% * 6.3070% (0.10 0.74 0.45) = 6.307% kept HB VAL 41 - HB3 CYS 21 11.111% * 4.2530% (0.16 0.31 0.90) = 4.253% kept QB LYS+ 66 - HB3 CYS 21 11.111% * 1.2104% (0.07 0.20 0.02) = 1.210% kept HG3 PRO 68 - HB3 CYS 21 11.111% * 0.8439% (0.12 0.08 0.02) = 0.844% HG2 ARG+ 54 - HB3 CYS 21 11.111% * 0.1432% (0.09 0.02 0.02) = 0.143% HB3 ASP- 105 - HB3 CYS 21 11.111% * 0.1190% (0.07 0.02 0.02) = 0.119% Peak 2359 (1.49, 2.60, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.337, support = 0.919, residual support = 0.781: QG2 THR 26 - HB3 CYS 21 20.000% * 66.8212% (0.31 1.20 0.62) = 66.821% kept HB2 LYS+ 74 - HB3 CYS 21 20.000% * 29.6692% (0.43 0.39 1.25) = 29.669% kept HB3 LEU 40 - HB3 CYS 21 20.000% * 1.8338% (0.12 0.09 0.02) = 1.834% kept HG2 LYS+ 65 - HB3 CYS 21 20.000% * 0.9297% (0.26 0.02 0.02) = 0.930% HD2 LYS+ 121 - HB3 CYS 21 20.000% * 0.7461% (0.21 0.02 0.02) = 0.746% Peak 2360 (0.57, 2.60, 28.30 ppm): 4 chemical-shift based assignments, quality = 0.298, support = 1.5, residual support = 3.1: QD1 LEU 63 - HB3 CYS 21 25.000% * 39.2634% (0.26 1.90 3.80) = 39.263% kept QD2 LEU 63 - HB3 CYS 21 25.000% * 38.6640% (0.36 1.36 3.80) = 38.664% kept QD1 LEU 73 - HB3 CYS 21 25.000% * 21.9605% (0.26 1.06 0.64) = 21.961% kept QD2 LEU 115 - HB3 CYS 21 25.000% * 0.1121% (0.07 0.02 0.02) = 0.112% Peak 2361 (7.93, 2.60, 28.30 ppm): 3 chemical-shift based assignments, quality = 0.379, support = 3.39, residual support = 28.6: O HN CYS 21 - HB3 CYS 21 33.333% * 99.9365% (0.38 10.0 3.39 28.57) = 99.937% kept HN LYS+ 33 - HB3 CYS 21 33.333% * 0.0368% (0.14 1.0 0.02 0.02) = 0.037% HN ILE 119 - HB3 CYS 21 33.333% * 0.0267% (0.10 1.0 0.02 0.02) = 0.027% Peak 2362 (7.74, 2.60, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.246, support = 0.386, residual support = 0.478: HN TRP 27 - HB3 CYS 21 20.000% * 85.2016% (0.23 0.45 0.56) = 85.202% kept HN THR 39 - HB3 CYS 21 20.000% * 6.1279% (0.38 0.02 0.02) = 6.128% kept HD1 TRP 87 - HB3 CYS 21 20.000% * 5.8000% (0.36 0.02 0.02) = 5.800% kept HN GLU- 36 - HB3 CYS 21 20.000% * 1.9307% (0.12 0.02 0.02) = 1.931% kept HN ALA 91 - HB3 CYS 21 20.000% * 0.9398% (0.06 0.02 0.02) = 0.940% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2363 (7.35, 2.60, 28.30 ppm): 6 chemical-shift based assignments, quality = 0.336, support = 2.82, residual support = 4.28: HD2 HIS 22 - HB3 CYS 21 16.667% * 69.5220% (0.36 3.60 5.77) = 69.522% kept HD1 TRP 49 - HB3 CYS 21 16.667% * 12.6363% (0.42 0.56 0.02) = 12.636% kept HN THR 23 - HB3 CYS 21 16.667% * 10.8952% (0.10 2.00 2.40) = 10.895% kept HN LEU 67 - HB3 CYS 21 16.667% * 6.7460% (0.34 0.37 0.02) = 6.746% kept HD21 ASN 35 - HB3 CYS 21 16.667% * 0.1090% (0.10 0.02 0.02) = 0.109% QE PHE 95 - HB3 CYS 21 16.667% * 0.0915% (0.09 0.02 0.02) = 0.092% Peak 2364 (4.60, 2.60, 28.30 ppm): 5 chemical-shift based assignments, quality = 0.356, support = 2.49, residual support = 28.0: O T HA CYS 21 - HB3 CYS 21 20.000% * 97.9325% (0.36 10.0 10.00 2.53 28.57) = 97.933% kept HA TRP 49 - HB3 CYS 21 20.000% * 1.8847% (0.23 1.0 1.00 0.59 0.02) = 1.885% kept HA LYS+ 102 - HB3 CYS 21 20.000% * 0.1121% (0.41 1.0 1.00 0.02 0.02) = 0.112% HA1 GLY 109 - HB3 CYS 21 20.000% * 0.0381% (0.14 1.0 1.00 0.02 0.02) = 0.038% HA CYS 50 - HB3 CYS 21 20.000% * 0.0326% (0.12 1.0 1.00 0.02 0.02) = 0.033% Peak 2365 (7.35, 3.50, 29.58 ppm): 6 chemical-shift based assignments, quality = 0.481, support = 2.7, residual support = 30.4: O HD2 HIS 22 - HB2 HIS 22 16.667% * 92.0286% (0.51 10.0 2.62 32.09) = 92.029% kept HN THR 23 - HB2 HIS 22 16.667% * 6.1332% (0.14 1.0 4.72 14.71) = 6.133% kept HD1 TRP 49 - HB2 HIS 22 16.667% * 1.0692% (0.59 1.0 0.20 0.94) = 1.069% kept HN LEU 67 - HB2 HIS 22 16.667% * 0.7212% (0.47 1.0 0.17 0.02) = 0.721% HD21 ASN 35 - HB2 HIS 22 16.667% * 0.0260% (0.14 1.0 0.02 0.02) = 0.026% QE PHE 95 - HB2 HIS 22 16.667% * 0.0218% (0.12 1.0 0.02 0.02) = 0.022% Peak 2366 (7.36, 3.24, 29.58 ppm): 4 chemical-shift based assignments, quality = 0.875, support = 2.94, residual support = 31.8: O HD2 HIS 22 - HB3 HIS 22 25.000% * 99.1421% (0.88 10.0 2.97 32.09) = 99.142% kept HD1 TRP 49 - HB3 HIS 22 25.000% * 0.7418% (0.67 1.0 0.20 0.94) = 0.742% HD21 ASN 35 - HB3 HIS 22 25.000% * 0.0938% (0.84 1.0 0.02 0.02) = 0.094% HN LEU 67 - HB3 HIS 22 25.000% * 0.0222% (0.20 1.0 0.02 0.02) = 0.022% Peak 2367 (1.30, 3.24, 29.58 ppm): 2 chemical-shift based assignments, quality = 0.845, support = 1.3, residual support = 1.36: QG2 THR 77 - HB3 HIS 22 50.000% * 72.6579% (0.98 1.39 1.58) = 72.658% kept QB ALA 88 - HB3 HIS 22 50.000% * 27.3421% (0.49 1.05 0.79) = 27.342% kept Peak 2368 (7.03, 3.44, 70.99 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 1.01, residual support = 2.61: QD PHE 95 - HB THR 46 100.000% *100.0000% (0.88 1.01 2.61) = 100.000% kept Peak 2369 (8.47, 3.44, 70.99 ppm): 5 chemical-shift based assignments, quality = 0.722, support = 2.58, residual support = 23.4: O HN THR 46 - HB THR 46 20.000% * 99.4522% (0.73 10.0 2.60 23.52) = 99.452% kept HN LYS+ 112 - HB THR 46 20.000% * 0.2914% (0.24 1.0 0.18 0.02) = 0.291% HN LYS+ 74 - HB THR 46 20.000% * 0.1309% (0.96 1.0 0.02 0.02) = 0.131% HN MET 11 - HB THR 46 20.000% * 0.0667% (0.49 1.0 0.02 0.02) = 0.067% HN MET 92 - HB THR 46 20.000% * 0.0588% (0.43 1.0 0.02 0.02) = 0.059% Peak 2370 (1.31, 3.50, 29.58 ppm): 5 chemical-shift based assignments, quality = 0.482, support = 1.1, residual support = 1.16: QB ALA 88 - HB2 HIS 22 20.000% * 50.0189% (0.61 0.87 0.79) = 50.019% kept QG2 THR 77 - HB2 HIS 22 20.000% * 48.4586% (0.37 1.38 1.58) = 48.459% kept HG2 LYS+ 38 - HB2 HIS 22 20.000% * 0.7703% (0.40 0.02 0.02) = 0.770% HG2 LYS+ 99 - HB2 HIS 22 20.000% * 0.5622% (0.30 0.02 0.02) = 0.562% HG2 LYS+ 111 - HB2 HIS 22 20.000% * 0.1900% (0.10 0.02 0.02) = 0.190% Peak 2372 (7.93, 4.63, 51.23 ppm): 3 chemical-shift based assignments, quality = 0.882, support = 3.18, residual support = 14.0: O HN CYS 21 - HA ALA 20 33.333% * 99.9365% (0.88 10.0 3.19 13.99) = 99.937% kept HN LYS+ 33 - HA ALA 20 33.333% * 0.0368% (0.32 1.0 0.02 0.02) = 0.037% HN ILE 119 - HA ALA 20 33.333% * 0.0267% (0.24 1.0 0.02 0.02) = 0.027% Peak 2373 (5.03, 4.63, 51.23 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 0.02, residual support = 0.02: HA ASP- 76 - HA ALA 20 100.000% *100.0000% (0.24 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2374 (2.40, 4.68, 56.96 ppm): 5 chemical-shift based assignments, quality = 0.53, support = 0.02, residual support = 0.173: QG GLN 32 - HA HIS 22 20.000% * 36.1952% (0.69 0.02 0.02) = 36.195% kept HB VAL 107 - HA HIS 22 20.000% * 33.5798% (0.64 0.02 0.47) = 33.580% kept QG GLU- 79 - HA HIS 22 20.000% * 15.0131% (0.29 0.02 0.02) = 15.013% kept QE LYS+ 112 - HA HIS 22 20.000% * 7.6059% (0.15 0.02 0.02) = 7.606% kept HB3 PHE 45 - HA HIS 22 20.000% * 7.6059% (0.15 0.02 0.02) = 7.606% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2375 (1.67, 4.68, 56.96 ppm): 8 chemical-shift based assignments, quality = 0.48, support = 0.0736, residual support = 0.035: HD2 LYS+ 111 - HA HIS 22 12.500% * 32.4092% (0.21 0.19 0.02) = 32.409% kept QD LYS+ 102 - HA HIS 22 12.500% * 13.6988% (0.81 0.02 0.02) = 13.699% kept QD LYS+ 38 - HA HIS 22 12.500% * 12.3951% (0.74 0.02 0.02) = 12.395% kept HG3 PRO 93 - HA HIS 22 12.500% * 9.8977% (0.59 0.02 0.02) = 9.898% kept HB2 LEU 123 - HA HIS 22 12.500% * 9.0007% (0.54 0.02 0.02) = 9.001% kept HB VAL 83 - HA HIS 22 12.500% * 9.0007% (0.54 0.02 0.02) = 9.001% kept QD LYS+ 65 - HA HIS 22 12.500% * 7.2232% (0.43 0.02 0.02) = 7.223% kept HB2 LYS+ 121 - HA HIS 22 12.500% * 6.3745% (0.38 0.02 0.26) = 6.374% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2376 (8.91, 4.68, 56.96 ppm): 1 chemical-shift based assignment, quality = 0.119, support = 0.02, residual support = 0.02: HN ILE 19 - HA HIS 22 100.000% *100.0000% (0.12 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 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 = 0.368, support = 4.13, residual support = 13.5: O HN VAL 24 - HA THR 23 100.000% *100.0000% (0.37 10.0 4.13 13.55) = 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): 5 chemical-shift based assignments, quality = 0.543, support = 2.73, residual support = 9.36: HN THR 23 - QG2 THR 23 20.000% * 62.7147% (0.49 3.69 8.49) = 62.715% kept HD2 HIS 22 - QG2 THR 23 20.000% * 27.4741% (0.55 1.44 14.71) = 27.474% kept HN LEU 67 - QG2 THR 23 20.000% * 8.9641% (0.98 0.26 0.02) = 8.964% kept HD1 TRP 49 - QG2 THR 23 20.000% * 0.5469% (0.78 0.02 0.02) = 0.547% QE PHE 95 - QG2 THR 23 20.000% * 0.3002% (0.43 0.02 0.02) = 0.300% Peak 2381 (2.46, 3.81, 65.84 ppm): 3 chemical-shift based assignments, quality = 0.838, support = 0.02, residual support = 0.507: HG3 MET 96 - HA VAL 83 33.333% * 41.9931% (1.00 0.02 1.18) = 41.993% kept HG2 GLU- 36 - HA VAL 83 33.333% * 35.0756% (0.84 0.02 0.02) = 35.076% kept HB3 ASP- 62 - HA VAL 83 33.333% * 22.9313% (0.55 0.02 0.02) = 22.931% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2382 (2.93, 3.81, 65.84 ppm): 5 chemical-shift based assignments, quality = 0.863, support = 0.843, residual support = 0.971: HB2 ASP- 86 - HA VAL 83 20.000% * 67.6759% (0.96 1.08 1.43) = 67.676% kept HB2 ASN 28 - HA VAL 83 20.000% * 19.0935% (0.78 0.37 0.02) = 19.094% kept HB2 ASN 35 - HA VAL 83 20.000% * 11.1869% (0.49 0.35 0.02) = 11.187% kept QE LYS+ 65 - HA VAL 83 20.000% * 1.2504% (0.96 0.02 0.02) = 1.250% kept QE LYS+ 33 - HA VAL 83 20.000% * 0.7933% (0.61 0.02 0.21) = 0.793% Peak 2383 (6.61, 3.81, 65.84 ppm): 3 chemical-shift based assignments, quality = 0.276, support = 4.61, residual support = 73.8: O HN VAL 83 - HA VAL 83 33.333% * 99.1703% (0.28 10.0 4.65 74.41) = 99.170% kept HN TRP 49 - HA VAL 83 33.333% * 0.5005% (0.14 1.0 0.21 0.02) = 0.500% HN CYS 50 - HA VAL 83 33.333% * 0.3293% (0.92 1.0 0.02 0.02) = 0.329% Peak 2384 (8.31, 3.81, 65.84 ppm): 6 chemical-shift based assignments, quality = 0.831, support = 0.672, residual support = 1.16: HN ASP- 86 - HA VAL 83 16.667% * 81.1871% (0.88 0.80 1.43) = 81.187% kept HN GLN 30 - HA VAL 83 16.667% * 10.0320% (0.96 0.09 0.02) = 10.032% kept HN GLU- 29 - HA VAL 83 16.667% * 6.8672% (0.28 0.21 0.02) = 6.867% kept HN GLU- 14 - HA VAL 83 16.667% * 0.9907% (0.43 0.02 0.02) = 0.991% HE1 HIS 122 - HA VAL 83 16.667% * 0.5437% (0.24 0.02 0.02) = 0.544% HN LYS+ 99 - HA VAL 83 16.667% * 0.3793% (0.16 0.02 0.64) = 0.379% Peak 2385 (7.74, 3.81, 65.84 ppm): 5 chemical-shift based assignments, quality = 0.611, support = 1.92, residual support = 3.7: HD1 TRP 87 - HA VAL 83 20.000% * 55.6079% (0.49 2.83 5.19) = 55.608% kept HN TRP 27 - HA VAL 83 20.000% * 33.6367% (0.88 0.94 2.40) = 33.637% kept HN ALA 91 - HA VAL 83 20.000% * 6.5157% (0.38 0.43 0.02) = 6.516% kept HN THR 39 - HA VAL 83 20.000% * 2.7343% (0.55 0.12 0.02) = 2.734% kept HN ALA 61 - HA VAL 83 20.000% * 1.5054% (0.28 0.13 0.02) = 1.505% kept Peak 2386 (0.57, 3.77, 66.14 ppm): 4 chemical-shift based assignments, quality = 0.735, support = 1.26, residual support = 1.04: QD2 LEU 63 - HA VAL 24 25.000% * 63.5505% (0.84 1.66 1.23) = 63.551% kept QD1 LEU 63 - HA VAL 24 25.000% * 17.8812% (0.61 0.64 1.23) = 17.881% kept QD1 LEU 73 - HA VAL 24 25.000% * 14.8389% (0.61 0.53 0.27) = 14.839% kept QD2 LEU 115 - HA VAL 24 25.000% * 3.7293% (0.16 0.49 0.02) = 3.729% kept Peak 2387 (2.11, 3.77, 66.14 ppm): 4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 56.4: O T HB VAL 24 - HA VAL 24 25.000% * 99.1112% (1.00 10.0 10.00 3.87 56.88) = 99.111% kept T HB2 PRO 68 - HA VAL 24 25.000% * 0.7197% (0.73 1.0 10.00 0.02 0.02) = 0.720% QB GLN 32 - HA VAL 24 25.000% * 0.0971% (0.98 1.0 1.00 0.02 0.02) = 0.097% HG3 GLU- 100 - HA VAL 24 25.000% * 0.0720% (0.73 1.0 1.00 0.02 0.02) = 0.072% Peak 2388 (2.99, 3.77, 66.14 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 2.89, residual support = 15.7: T HB3 TRP 27 - HA VAL 24 20.000% * 99.8276% (1.00 10.00 2.89 15.72) = 99.828% kept HB2 PHE 97 - HA VAL 24 20.000% * 0.0983% (0.98 1.00 0.02 0.02) = 0.098% QE LYS+ 106 - HA VAL 24 20.000% * 0.0377% (0.38 1.00 0.02 0.02) = 0.038% QE LYS+ 99 - HA VAL 24 20.000% * 0.0199% (0.20 1.00 0.02 0.02) = 0.020% HB3 PHE 60 - HA VAL 24 20.000% * 0.0165% (0.16 1.00 0.02 0.02) = 0.017% Peak 2389 (9.22, 3.77, 66.14 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.97, residual support = 56.9: O HN VAL 24 - HA VAL 24 100.000% *100.0000% (0.92 10.0 3.97 56.88) = 100.000% kept Peak 2390 (8.79, 3.77, 66.14 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 5.47, residual support = 29.4: O HN GLU- 25 - HA VAL 24 33.333% * 92.0932% (0.84 10.0 5.44 31.01) = 92.093% kept HN ASN 28 - HA VAL 24 33.333% * 7.8095% (0.24 1.0 6.01 10.78) = 7.809% kept HN ASP- 44 - HA VAL 24 33.333% * 0.0973% (0.88 1.0 0.02 0.02) = 0.097% Peak 2391 (7.75, 3.77, 66.14 ppm): 5 chemical-shift based assignments, quality = 0.242, support = 2.55, residual support = 13.9: HN TRP 27 - HA VAL 24 20.000% * 88.4361% (0.16 2.88 15.72) = 88.436% kept HD1 TRP 87 - HA VAL 24 20.000% * 3.6660% (0.98 0.02 0.02) = 3.666% kept HN THR 39 - HA VAL 24 20.000% * 3.5755% (0.96 0.02 0.02) = 3.575% kept HN GLU- 36 - HA VAL 24 20.000% * 2.7158% (0.73 0.02 0.02) = 2.716% kept HN LYS+ 102 - HA VAL 24 20.000% * 1.6066% (0.43 0.02 0.02) = 1.607% kept Peak 2392 (1.11, 2.11, 32.16 ppm): 10 chemical-shift based assignments, quality = 0.948, support = 3.18, residual support = 56.4: O T QG1 VAL 24 - HB VAL 24 10.000% * 99.1984% (0.96 10.0 10.00 3.21 56.88) = 99.198% kept T QG1 VAL 24 - HB2 PRO 68 10.000% * 0.4912% (0.47 1.0 10.00 0.02 0.02) = 0.491% HD3 LYS+ 112 - HB VAL 24 10.000% * 0.1038% (1.00 1.0 1.00 0.02 0.02) = 0.104% HD3 LYS+ 112 - HB2 PRO 68 10.000% * 0.0514% (0.50 1.0 1.00 0.02 0.02) = 0.051% QG1 VAL 107 - HB VAL 24 10.000% * 0.0505% (0.49 1.0 1.00 0.02 0.02) = 0.051% HB3 LEU 31 - HB VAL 24 10.000% * 0.0289% (0.28 1.0 1.00 0.02 0.02) = 0.029% QG1 VAL 107 - HB2 PRO 68 10.000% * 0.0250% (0.24 1.0 1.00 0.02 0.02) = 0.025% HG13 ILE 119 - HB VAL 24 10.000% * 0.0245% (0.24 1.0 1.00 0.02 0.02) = 0.024% HB3 LEU 31 - HB2 PRO 68 10.000% * 0.0143% (0.14 1.0 1.00 0.02 0.02) = 0.014% HG13 ILE 119 - HB2 PRO 68 10.000% * 0.0121% (0.12 1.0 1.00 0.02 0.02) = 0.012% Peak 2393 (1.07, 2.11, 32.16 ppm): 6 chemical-shift based assignments, quality = 0.993, support = 2.88, residual support = 56.7: O QG2 VAL 24 - HB VAL 24 16.667% * 99.7510% (1.00 10.0 2.89 56.88) = 99.751% kept HG LEU 63 - HB VAL 24 16.667% * 0.0958% (0.96 1.0 0.02 1.23) = 0.096% QG2 VAL 24 - HB2 PRO 68 16.667% * 0.0494% (0.49 1.0 0.02 0.02) = 0.049% HG LEU 63 - HB2 PRO 68 16.667% * 0.0475% (0.47 1.0 0.02 0.02) = 0.047% HG3 LYS+ 112 - HB VAL 24 16.667% * 0.0376% (0.38 1.0 0.02 0.02) = 0.038% HG3 LYS+ 112 - HB2 PRO 68 16.667% * 0.0186% (0.19 1.0 0.02 0.02) = 0.019% Peak 2394 (0.60, 2.11, 32.16 ppm): 8 chemical-shift based assignments, quality = 0.582, support = 0.323, residual support = 0.228: QD2 LEU 80 - HB VAL 24 12.500% * 70.4664% (0.61 0.43 0.28) = 70.466% kept QG1 VAL 83 - HB2 PRO 68 12.500% * 12.1856% (0.36 0.13 0.02) = 12.186% kept QD1 LEU 104 - HB VAL 24 12.500% * 4.9684% (0.92 0.02 0.02) = 4.968% kept QG1 VAL 83 - HB VAL 24 12.500% * 3.9083% (0.73 0.02 0.62) = 3.908% kept QD2 LEU 115 - HB VAL 24 12.500% * 2.9391% (0.55 0.02 0.02) = 2.939% kept QD1 LEU 104 - HB2 PRO 68 12.500% * 2.4603% (0.46 0.02 0.02) = 2.460% kept QD2 LEU 80 - HB2 PRO 68 12.500% * 1.6165% (0.30 0.02 0.02) = 1.617% kept QD2 LEU 115 - HB2 PRO 68 12.500% * 1.4554% (0.27 0.02 0.02) = 1.455% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2395 (3.77, 2.11, 32.16 ppm): 4 chemical-shift based assignments, quality = 0.778, support = 3.85, residual support = 56.5: O T HA VAL 24 - HB VAL 24 25.000% * 99.3594% (0.78 10.0 10.00 3.87 56.88) = 99.359% kept T HA VAL 24 - HB2 PRO 68 25.000% * 0.4920% (0.39 1.0 10.00 0.02 0.02) = 0.492% HA LYS+ 38 - HB VAL 24 25.000% * 0.0994% (0.78 1.0 1.00 0.02 0.02) = 0.099% HA LYS+ 38 - HB2 PRO 68 25.000% * 0.0492% (0.39 1.0 1.00 0.02 0.02) = 0.049% Peak 2396 (2.10, 1.10, 23.10 ppm): 4 chemical-shift based assignments, quality = 0.836, support = 3.16, residual support = 56.1: O T HB VAL 24 - QG1 VAL 24 25.000% * 98.6885% (0.84 10.0 10.00 3.21 56.88) = 98.688% kept T HB2 PRO 68 - QG1 VAL 24 25.000% * 1.1581% (0.98 1.0 10.00 0.02 0.02) = 1.158% kept QB GLN 32 - QG1 VAL 24 25.000% * 0.1091% (0.92 1.0 1.00 0.02 0.02) = 0.109% HG3 GLU- 100 - QG1 VAL 24 25.000% * 0.0443% (0.38 1.0 1.00 0.02 0.02) = 0.044% Peak 2397 (8.80, 2.11, 32.16 ppm): 6 chemical-shift based assignments, quality = 0.576, support = 3.62, residual support = 19.3: HN ASN 28 - HB VAL 24 16.667% * 57.0466% (0.84 2.15 10.78) = 57.047% kept HN GLU- 25 - HB VAL 24 16.667% * 42.3517% (0.24 5.65 31.01) = 42.352% kept HN ASN 28 - HB2 PRO 68 16.667% * 0.2630% (0.41 0.02 0.02) = 0.263% HN ASP- 44 - HB VAL 24 16.667% * 0.1768% (0.28 0.02 0.02) = 0.177% HN ASP- 44 - HB2 PRO 68 16.667% * 0.0876% (0.14 0.02 0.02) = 0.088% HN GLU- 25 - HB2 PRO 68 16.667% * 0.0742% (0.12 0.02 0.02) = 0.074% Peak 2398 (9.23, 2.11, 32.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2399 (9.23, 1.10, 23.10 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 3.72, residual support = 56.9: HN VAL 24 - QG1 VAL 24 100.000% *100.0000% (0.49 3.72 56.88) = 100.000% kept Peak 2400 (8.80, 2.20, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.293, support = 4.79, residual support = 91.9: O HN GLU- 25 - HB2 GLU- 25 25.000% * 79.8798% (0.14 10.0 5.83 114.09) = 79.880% kept HN ASN 28 - HB2 GLU- 25 25.000% * 19.3350% (0.96 1.0 0.69 4.16) = 19.335% kept HN ASP- 44 - HB2 GLU- 25 25.000% * 0.6882% (0.16 1.0 0.14 0.02) = 0.688% HN ASN 69 - HB2 GLU- 25 25.000% * 0.0971% (0.16 1.0 0.02 0.02) = 0.097% Peak 2401 (8.80, 2.01, 28.95 ppm): 4 chemical-shift based assignments, quality = 0.409, support = 4.3, residual support = 76.6: O HN GLU- 25 - HB3 GLU- 25 25.000% * 65.9292% (0.14 10.0 5.80 114.09) = 65.929% kept HN ASN 28 - HB3 GLU- 25 25.000% * 33.4227% (0.96 1.0 1.44 4.16) = 33.423% kept HN ASP- 44 - HB3 GLU- 25 25.000% * 0.5680% (0.16 1.0 0.14 0.02) = 0.568% HN ASN 69 - HB3 GLU- 25 25.000% * 0.0801% (0.16 1.0 0.02 0.02) = 0.080% Peak 2402 (8.14, 2.01, 28.95 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 0.715, residual support = 1.02: HN LEU 71 - HB3 GLU- 25 100.000% *100.0000% (0.55 0.72 1.02) = 100.000% kept Peak 2403 (8.06, 4.18, 61.45 ppm): 6 chemical-shift based assignments, quality = 0.559, support = 1.59, residual support = 0.699: HN SER 85 - HA GLU- 25 16.667% * 78.8377% (0.61 1.78 0.85) = 78.838% kept HN SER 85 - HA SER 82 16.667% * 11.0002% (0.11 1.44 0.15) = 11.000% kept HN GLN 32 - HA GLU- 25 16.667% * 6.6736% (1.00 0.09 0.02) = 6.674% kept HN ALA 34 - HA GLU- 25 16.667% * 1.8344% (0.14 0.19 0.02) = 1.834% kept HN ALA 34 - HA SER 82 16.667% * 1.4015% (0.02 0.82 0.59) = 1.402% kept HN GLN 32 - HA SER 82 16.667% * 0.2526% (0.17 0.02 0.02) = 0.253% Peak 2404 (8.80, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.569, support = 4.41, residual support = 54.9: HN ASN 28 - HA GLU- 25 12.500% * 52.9492% (0.96 1.0 3.24 4.16) = 52.949% kept O HN GLU- 25 - HA GLU- 25 12.500% * 46.2020% (0.14 10.0 5.83 114.09) = 46.202% kept HN ASP- 44 - HA GLU- 25 12.500% * 0.3980% (0.16 1.0 0.14 0.02) = 0.398% HN ASN 28 - HA SER 82 12.500% * 0.3671% (0.17 1.0 0.13 0.02) = 0.367% HN ASN 69 - HA GLU- 25 12.500% * 0.0561% (0.16 1.0 0.02 0.02) = 0.056% HN ASN 69 - HA SER 82 12.500% * 0.0097% (0.03 1.0 0.02 0.02) = 0.010% HN ASP- 44 - HA SER 82 12.500% * 0.0097% (0.03 1.0 0.02 0.02) = 0.010% HN GLU- 25 - HA SER 82 12.500% * 0.0080% (0.02 1.0 0.02 0.02) = 0.008% Peak 2405 (7.59, 4.18, 61.45 ppm): 12 chemical-shift based assignments, quality = 0.579, support = 0.985, residual support = 1.36: HN LEU 63 - HA GLU- 25 8.333% * 25.4269% (0.98 0.46 0.02) = 25.427% kept HN ALA 84 - HA GLU- 25 8.333% * 21.5925% (0.32 1.17 0.85) = 21.592% kept HN ILE 56 - HA GLU- 25 8.333% * 20.9065% (0.88 0.42 0.02) = 20.907% kept HD21 ASN 28 - HA GLU- 25 8.333% * 19.9906% (0.32 1.09 4.16) = 19.991% kept HN ALA 84 - HA SER 82 8.333% * 9.9203% (0.06 3.11 3.39) = 9.920% kept HN LYS+ 111 - HA GLU- 25 8.333% * 1.4901% (0.32 0.08 0.02) = 1.490% kept HN LEU 63 - HA SER 82 8.333% * 0.1925% (0.17 0.02 0.02) = 0.192% HN ILE 56 - HA SER 82 8.333% * 0.1733% (0.15 0.02 0.02) = 0.173% HZ2 TRP 87 - HA GLU- 25 8.333% * 0.1532% (0.14 0.02 0.02) = 0.153% HD21 ASN 28 - HA SER 82 8.333% * 0.0637% (0.06 0.02 0.02) = 0.064% HN LYS+ 111 - HA SER 82 8.333% * 0.0637% (0.06 0.02 0.02) = 0.064% HZ2 TRP 87 - HA SER 82 8.333% * 0.0266% (0.02 0.02 0.02) = 0.027% Peak 2406 (2.92, 4.18, 61.45 ppm): 10 chemical-shift based assignments, quality = 0.925, support = 0.565, residual support = 2.65: HB2 ASN 28 - HA GLU- 25 10.000% * 63.5602% (0.98 0.75 4.16) = 63.560% kept QE LYS+ 33 - HA GLU- 25 10.000% * 25.5347% (1.00 0.30 0.02) = 25.535% kept HB2 ASP- 86 - HA GLU- 25 10.000% * 6.9038% (0.49 0.16 0.02) = 6.904% kept QE LYS+ 65 - HA GLU- 25 10.000% * 1.4443% (0.84 0.02 0.02) = 1.444% kept HB2 ASN 28 - HA SER 82 10.000% * 1.2035% (0.17 0.08 0.02) = 1.203% kept HB2 ASP- 78 - HA GLU- 25 10.000% * 0.5614% (0.32 0.02 0.02) = 0.561% QE LYS+ 33 - HA SER 82 10.000% * 0.2983% (0.17 0.02 0.57) = 0.298% QE LYS+ 65 - HA SER 82 10.000% * 0.2504% (0.14 0.02 0.02) = 0.250% HB2 ASP- 86 - HA SER 82 10.000% * 0.1459% (0.08 0.02 0.02) = 0.146% HB2 ASP- 78 - HA SER 82 10.000% * 0.0973% (0.06 0.02 0.02) = 0.097% Peak 2407 (1.36, 4.18, 61.45 ppm): 20 chemical-shift based assignments, quality = 0.793, support = 0.946, residual support = 0.991: QB ALA 84 - HA GLU- 25 5.000% * 73.5929% (0.98 1.10 0.85) = 73.593% kept QB ALA 84 - HA SER 82 5.000% * 10.6268% (0.17 0.92 3.39) = 10.627% kept HB2 LEU 63 - HA GLU- 25 5.000% * 9.1964% (0.32 0.42 0.02) = 9.196% kept HB3 PRO 93 - HA GLU- 25 5.000% * 1.3578% (1.00 0.02 0.02) = 1.358% kept HG LEU 98 - HA GLU- 25 5.000% * 1.2043% (0.88 0.02 0.02) = 1.204% kept QB ALA 124 - HA GLU- 25 5.000% * 0.9909% (0.73 0.02 0.02) = 0.991% HB3 ASP- 44 - HA GLU- 25 5.000% * 0.6642% (0.49 0.02 0.02) = 0.664% HG3 LYS+ 106 - HA GLU- 25 5.000% * 0.5121% (0.38 0.02 0.02) = 0.512% HB2 LYS+ 112 - HA GLU- 25 5.000% * 0.3217% (0.24 0.02 0.02) = 0.322% HB3 LEU 80 - HA GLU- 25 5.000% * 0.2701% (0.20 0.02 0.02) = 0.270% HB3 PRO 93 - HA SER 82 5.000% * 0.2354% (0.17 0.02 0.02) = 0.235% HG3 LYS+ 102 - HA GLU- 25 5.000% * 0.2244% (0.16 0.02 0.02) = 0.224% HG LEU 98 - HA SER 82 5.000% * 0.2088% (0.15 0.02 0.02) = 0.209% QB ALA 124 - HA SER 82 5.000% * 0.1718% (0.13 0.02 0.02) = 0.172% HB3 ASP- 44 - HA SER 82 5.000% * 0.1152% (0.08 0.02 0.02) = 0.115% HG3 LYS+ 106 - HA SER 82 5.000% * 0.0888% (0.07 0.02 0.02) = 0.089% HB2 LEU 63 - HA SER 82 5.000% * 0.0768% (0.06 0.02 0.02) = 0.077% HB2 LYS+ 112 - HA SER 82 5.000% * 0.0558% (0.04 0.02 0.02) = 0.056% HB3 LEU 80 - HA SER 82 5.000% * 0.0468% (0.03 0.02 0.02) = 0.047% HG3 LYS+ 102 - HA SER 82 5.000% * 0.0389% (0.03 0.02 0.02) = 0.039% Peak 2408 (1.04, 4.18, 61.45 ppm): 8 chemical-shift based assignments, quality = 0.307, support = 0.338, residual support = 0.436: HG3 LYS+ 112 - HA GLU- 25 12.500% * 50.4196% (0.32 0.35 0.02) = 50.420% kept QG2 VAL 108 - HA SER 82 12.500% * 31.1899% (0.14 0.49 1.35) = 31.190% kept QG2 VAL 108 - HA GLU- 25 12.500% * 7.3516% (0.84 0.02 0.02) = 7.352% kept HB2 LEU 104 - HA GLU- 25 12.500% * 5.3384% (0.61 0.02 0.02) = 5.338% kept QD1 ILE 119 - HA SER 82 12.500% * 2.5376% (0.03 0.17 0.02) = 2.538% kept QD1 ILE 119 - HA GLU- 25 12.500% * 1.7418% (0.20 0.02 0.02) = 1.742% kept HB2 LEU 104 - HA SER 82 12.500% * 0.9256% (0.11 0.02 0.02) = 0.926% HG3 LYS+ 112 - HA SER 82 12.500% * 0.4955% (0.06 0.02 0.02) = 0.495% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2409 (2.22, 4.15, 66.74 ppm): 5 chemical-shift based assignments, quality = 0.492, support = 0.323, residual support = 0.158: HB VAL 70 - HA THR 26 20.000% * 44.9980% (0.20 0.62 0.33) = 44.998% kept HG2 GLU- 100 - HA THR 26 20.000% * 27.8147% (0.88 0.09 0.02) = 27.815% kept HB2 ASP- 105 - HA THR 26 20.000% * 15.7806% (0.43 0.10 0.02) = 15.781% kept HB3 ASP- 76 - HA THR 26 20.000% * 5.7033% (0.78 0.02 0.02) = 5.703% kept HB2 MET 96 - HA THR 26 20.000% * 5.7033% (0.78 0.02 0.02) = 5.703% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2410 (8.14, 4.15, 66.74 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 1.06, residual support = 1.06: HN LEU 71 - HA THR 26 100.000% *100.0000% (0.55 1.06 1.06) = 100.000% kept Peak 2411 (8.32, 4.15, 66.74 ppm): 5 chemical-shift based assignments, quality = 0.439, support = 1.05, residual support = 2.21: HN GLN 30 - HA THR 26 20.000% * 62.0946% (0.43 1.36 3.48) = 62.095% kept HN ASP- 86 - HA THR 26 20.000% * 25.7979% (0.32 0.75 0.17) = 25.798% kept HN LYS+ 99 - HA THR 26 20.000% * 8.4232% (0.67 0.12 0.02) = 8.423% kept HN GLU- 14 - HA THR 26 20.000% * 2.0258% (0.96 0.02 0.02) = 2.026% kept HE1 HIS 122 - HA THR 26 20.000% * 1.6586% (0.78 0.02 0.02) = 1.659% kept Peak 2412 (7.36, 4.23, 69.37 ppm): 4 chemical-shift based assignments, quality = 0.795, support = 0.229, residual support = 0.0724: HD2 HIS 22 - HB THR 26 25.000% * 53.0406% (0.98 0.21 0.02) = 53.041% kept HN LEU 67 - HB THR 26 25.000% * 39.8179% (0.55 0.29 0.15) = 39.818% kept HD1 TRP 49 - HB THR 26 25.000% * 4.9655% (0.98 0.02 0.02) = 4.965% kept HD21 ASN 35 - HB THR 26 25.000% * 2.1760% (0.43 0.02 0.02) = 2.176% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2413 (7.74, 4.23, 69.37 ppm): 6 chemical-shift based assignments, quality = 0.67, support = 4.12, residual support = 15.4: HN TRP 27 - HB THR 26 16.667% * 92.3143% (0.67 4.44 16.73) = 92.314% kept HN THR 39 - HB THR 26 16.667% * 6.9017% (0.78 0.28 0.02) = 6.902% kept HD1 TRP 87 - HB THR 26 16.667% * 0.4528% (0.73 0.02 0.02) = 0.453% HN ALA 91 - HB THR 26 16.667% * 0.1234% (0.20 0.02 0.02) = 0.123% HN GLU- 36 - HB THR 26 16.667% * 0.1234% (0.20 0.02 0.02) = 0.123% HN ALA 61 - HB THR 26 16.667% * 0.0844% (0.14 0.02 0.02) = 0.084% Peak 2414 (8.13, 4.23, 69.37 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 4.4, residual support = 22.9: O HN THR 26 - HB THR 26 100.000% *100.0000% (0.61 10.0 4.40 22.87) = 100.000% kept Peak 2415 (4.62, 1.50, 23.02 ppm): 2 chemical-shift based assignments, quality = 0.712, support = 0.166, residual support = 0.16: HA ALA 20 - QG2 THR 26 50.000% * 97.4017% (0.73 0.17 0.16) = 97.402% kept HA LYS+ 102 - QG2 THR 26 50.000% * 2.5983% (0.16 0.02 0.02) = 2.598% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2416 (2.07, 1.50, 23.02 ppm): 5 chemical-shift based assignments, quality = 0.754, support = 0.02, residual support = 0.02: HG2 MET 11 - QG2 THR 26 20.000% * 25.2523% (0.88 0.02 0.02) = 25.252% kept HB2 GLU- 14 - QG2 THR 26 20.000% * 23.9009% (0.84 0.02 0.02) = 23.901% kept HG2 PRO 58 - QG2 THR 26 20.000% * 20.7785% (0.73 0.02 0.02) = 20.778% kept HG3 PRO 52 - QG2 THR 26 20.000% * 20.7785% (0.73 0.02 0.02) = 20.778% kept HB2 PRO 93 - QG2 THR 26 20.000% * 9.2898% (0.32 0.02 0.02) = 9.290% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2417 (2.73, 1.50, 23.02 ppm): 3 chemical-shift based assignments, quality = 0.978, support = 0.692, residual support = 3.39: T HG2 GLN 30 - QG2 THR 26 33.333% * 97.3312% (0.98 10.00 0.71 3.48) = 97.331% kept HB3 ASN 28 - QG2 THR 26 33.333% * 2.5774% (0.92 1.00 0.20 0.39) = 2.577% kept QE LYS+ 121 - QG2 THR 26 33.333% * 0.0913% (0.32 1.00 0.02 0.02) = 0.091% Peak 2419 (0.58, 2.99, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.724, support = 2.24, residual support = 5.0: QD2 LEU 115 - HB3 TRP 27 16.667% * 22.8079% (0.67 2.52 8.39) = 22.808% kept QD2 LEU 80 - HB3 TRP 27 16.667% * 22.8015% (0.61 2.77 7.12) = 22.801% kept QD1 LEU 63 - HB3 TRP 27 16.667% * 19.8817% (1.00 1.46 3.06) = 19.882% kept QD1 LEU 73 - HB3 TRP 27 16.667% * 19.2351% (1.00 1.42 2.75) = 19.235% kept QD1 LEU 104 - HB3 TRP 27 16.667% * 13.2012% (0.28 3.49 1.97) = 13.201% kept QD2 LEU 63 - HB3 TRP 27 16.667% * 2.0727% (0.28 0.55 3.06) = 2.073% kept Peak 2420 (3.78, 2.99, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.594, support = 2.73, residual support = 14.2: T HA VAL 24 - HB3 TRP 27 50.000% * 88.1920% (0.55 10.00 2.89 15.72) = 88.192% kept HA LYS+ 38 - HB3 TRP 27 50.000% * 11.8080% (0.96 1.00 1.53 2.52) = 11.808% kept Peak 2421 (3.77, 3.56, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.837, support = 2.65, residual support = 12.1: HA VAL 24 - HB2 TRP 27 50.000% * 72.8598% (0.92 3.00 15.72) = 72.860% kept HA LYS+ 38 - HB2 TRP 27 50.000% * 27.1402% (0.61 1.70 2.52) = 27.140% kept Peak 2422 (0.59, 3.56, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.875, support = 2.24, residual support = 5.61: QD2 LEU 80 - HB2 TRP 27 20.000% * 31.5767% (0.96 2.87 7.12) = 31.577% kept QD2 LEU 115 - HB2 TRP 27 20.000% * 27.4371% (0.98 2.44 8.39) = 27.437% kept QD1 LEU 104 - HB2 TRP 27 20.000% * 14.1096% (0.67 1.84 1.97) = 14.110% kept QD1 LEU 63 - HB2 TRP 27 20.000% * 13.6515% (0.78 1.52 3.06) = 13.651% kept QD1 LEU 73 - HB2 TRP 27 20.000% * 13.2251% (0.78 1.47 2.75) = 13.225% kept Peak 2423 (0.01, 4.13, 56.27 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 2.46, residual support = 6.33: QD1 LEU 31 - HA ASN 28 100.000% *100.0000% (0.55 2.46 6.33) = 100.000% kept Peak 2424 (4.03, 2.16, 36.74 ppm): 4 chemical-shift based assignments, quality = 0.506, support = 0.0796, residual support = 0.02: HA VAL 70 - HG3 GLU- 29 25.000% * 57.3599% (0.38 0.12 0.02) = 57.360% kept HB2 SER 37 - HG3 GLU- 29 25.000% * 22.7790% (0.92 0.02 0.02) = 22.779% kept HA1 GLY 16 - HG3 GLU- 29 25.000% * 10.5998% (0.43 0.02 0.02) = 10.600% kept HA GLN 116 - HG3 GLU- 29 25.000% * 9.2612% (0.38 0.02 0.02) = 9.261% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2425 (7.19, 3.56, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.943, support = 2.9, residual support = 86.0: O HD1 TRP 27 - HB2 TRP 27 25.000% * 95.8527% (0.96 10.0 3.00 89.72) = 95.853% kept HE21 GLN 30 - HB2 TRP 27 25.000% * 3.1406% (0.84 1.0 0.75 0.02) = 3.141% kept HH2 TRP 49 - HB2 TRP 27 25.000% * 0.9109% (0.55 1.0 0.33 0.02) = 0.911% QD PHE 59 - HB2 TRP 27 25.000% * 0.0959% (0.96 1.0 0.02 0.02) = 0.096% Peak 2426 (7.74, 3.56, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.558, support = 5.08, residual support = 84.8: O HN TRP 27 - HB2 TRP 27 20.000% * 94.4899% (0.55 10.0 5.35 89.72) = 94.490% kept HN THR 39 - HB2 TRP 27 20.000% * 4.7403% (0.88 1.0 0.62 0.02) = 4.740% kept HD1 TRP 87 - HB2 TRP 27 20.000% * 0.6983% (0.84 1.0 0.10 3.96) = 0.698% HN GLU- 36 - HB2 TRP 27 20.000% * 0.0481% (0.28 1.0 0.02 0.02) = 0.048% HN ALA 91 - HB2 TRP 27 20.000% * 0.0234% (0.14 1.0 0.02 0.02) = 0.023% Peak 2427 (8.81, 3.56, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.819, support = 4.7, residual support = 28.6: HN ASN 28 - HB2 TRP 27 50.000% * 92.9324% (0.84 5.01 30.81) = 92.932% kept HN ASN 69 - HB2 TRP 27 50.000% * 7.0676% (0.61 0.53 0.02) = 7.068% kept Peak 2428 (7.33, 2.99, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.595, support = 3.84, residual support = 76.5: O HE3 TRP 27 - HB3 TRP 27 20.000% * 85.2067% (0.55 10.0 4.23 89.72) = 85.207% kept HN THR 23 - HB3 TRP 27 20.000% * 12.8595% (0.96 1.0 1.72 0.57) = 12.859% kept HN LEU 67 - HB3 TRP 27 20.000% * 1.6768% (0.43 1.0 0.50 0.02) = 1.677% kept QE PHE 95 - HB3 TRP 27 20.000% * 0.1529% (0.98 1.0 0.02 0.02) = 0.153% QD PHE 55 - HB3 TRP 27 20.000% * 0.1041% (0.67 1.0 0.02 0.02) = 0.104% Peak 2429 (7.19, 2.99, 30.32 ppm): 4 chemical-shift based assignments, quality = 0.951, support = 3.09, residual support = 87.2: O HD1 TRP 27 - HB3 TRP 27 25.000% * 97.2319% (0.96 10.0 3.16 89.72) = 97.232% kept HE21 GLN 30 - HB3 TRP 27 25.000% * 2.6153% (0.84 1.0 0.62 0.02) = 2.615% kept QD PHE 59 - HB3 TRP 27 25.000% * 0.0972% (0.96 1.0 0.02 0.02) = 0.097% HH2 TRP 49 - HB3 TRP 27 25.000% * 0.0555% (0.55 1.0 0.02 0.02) = 0.056% Peak 2430 (7.74, 2.99, 30.32 ppm): 5 chemical-shift based assignments, quality = 0.565, support = 5.05, residual support = 82.9: O HN TRP 27 - HB3 TRP 27 20.000% * 92.3822% (0.55 10.0 5.40 89.72) = 92.382% kept HN THR 39 - HB3 TRP 27 20.000% * 6.8652% (0.88 1.0 0.92 0.02) = 6.865% kept HD1 TRP 87 - HB3 TRP 27 20.000% * 0.6827% (0.84 1.0 0.10 3.96) = 0.683% HN GLU- 36 - HB3 TRP 27 20.000% * 0.0470% (0.28 1.0 0.02 0.02) = 0.047% HN ALA 91 - HB3 TRP 27 20.000% * 0.0229% (0.14 1.0 0.02 0.02) = 0.023% Peak 2431 (8.82, 2.99, 30.32 ppm): 2 chemical-shift based assignments, quality = 0.462, support = 4.63, residual support = 26.4: HN ASN 28 - HB3 TRP 27 50.000% * 85.6279% (0.38 5.35 30.81) = 85.628% kept HN ASN 69 - HB3 TRP 27 50.000% * 14.3721% (0.98 0.34 0.02) = 14.372% kept Peak 2432 (7.88, 4.13, 56.27 ppm): 2 chemical-shift based assignments, quality = 0.735, support = 0.0943, residual support = 0.02: HN LYS+ 38 - HA ASN 28 50.000% * 65.0463% (0.96 0.08 0.02) = 65.046% kept HN ARG+ 54 - HA ASN 28 50.000% * 34.9537% (0.32 0.12 0.02) = 34.954% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2433 (8.34, 4.13, 56.27 ppm): 3 chemical-shift based assignments, quality = 0.675, support = 0.93, residual support = 0.85: HE1 HIS 122 - HA ASN 28 33.333% * 42.3777% (0.73 1.00 1.07) = 42.378% kept HN GLU- 14 - HA ASN 28 33.333% * 32.6905% (0.49 1.15 0.95) = 32.691% kept HN LYS+ 99 - HA ASN 28 33.333% * 24.9317% (0.84 0.51 0.35) = 24.932% kept Peak 2434 (8.82, 2.93, 38.30 ppm): 4 chemical-shift based assignments, quality = 0.399, support = 5.64, residual support = 84.3: O HN ASN 28 - HB2 ASN 28 25.000% * 95.9615% (0.38 10.0 5.87 87.83) = 95.961% kept HN ASN 69 - HB2 ASN 28 25.000% * 3.9990% (0.98 1.0 0.32 0.02) = 3.999% kept HN ASN 69 - HB2 ASN 35 25.000% * 0.0286% (0.11 1.0 0.02 0.02) = 0.029% HN ASN 28 - HB2 ASN 35 25.000% * 0.0110% (0.04 1.0 0.02 0.21) = 0.011% Peak 2435 (6.96, 2.73, 38.30 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.67, residual support = 87.8: O HD22 ASN 28 - HB3 ASN 28 100.000% *100.0000% (0.96 10.0 3.67 87.83) = 100.000% kept Peak 2436 (7.62, 2.73, 38.30 ppm): 3 chemical-shift based assignments, quality = 0.73, support = 3.3, residual support = 86.2: O HD21 ASN 28 - HB3 ASN 28 33.333% * 98.1860% (0.73 10.0 3.35 87.83) = 98.186% kept HZ2 TRP 87 - HB3 ASN 28 33.333% * 1.7559% (0.96 1.0 0.27 0.14) = 1.756% kept QE PHE 60 - HB3 ASN 28 33.333% * 0.0581% (0.43 1.0 0.02 0.02) = 0.058% Peak 2437 (8.31, 2.73, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.56, support = 2.5, residual support = 4.85: HN GLN 30 - HB3 ASN 28 16.667% * 42.4965% (0.84 2.17 2.78) = 42.496% kept HN GLU- 29 - HB3 ASN 28 16.667% * 20.7761% (0.16 5.39 16.10) = 20.776% kept HN GLU- 14 - HB3 ASN 28 16.667% * 17.6997% (0.61 1.25 0.95) = 17.700% kept HE1 HIS 122 - HB3 ASN 28 16.667% * 11.9707% (0.38 1.36 1.07) = 11.971% kept HN LYS+ 99 - HB3 ASN 28 16.667% * 6.7169% (0.28 1.03 0.35) = 6.717% kept HN ASP- 86 - HB3 ASN 28 16.667% * 0.3402% (0.73 0.02 0.02) = 0.340% Peak 2438 (8.81, 2.73, 38.30 ppm): 2 chemical-shift based assignments, quality = 0.833, support = 5.81, residual support = 86.8: O HN ASN 28 - HB3 ASN 28 50.000% * 98.8546% (0.84 10.0 5.87 87.83) = 98.855% kept HN ASN 69 - HB3 ASN 28 50.000% * 1.1454% (0.61 1.0 0.32 0.02) = 1.145% kept Peak 2439 (8.33, 2.93, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.935, support = 0.956, residual support = 0.903: HE1 HIS 122 - HB2 ASN 28 16.667% * 41.7635% (1.00 1.09 1.07) = 41.763% kept HN GLU- 14 - HB2 ASN 28 16.667% * 36.6505% (0.88 1.08 0.95) = 36.651% kept HN LYS+ 99 - HB2 ASN 28 16.667% * 19.4465% (1.00 0.51 0.35) = 19.446% kept HN LYS+ 99 - HB2 ASN 35 16.667% * 1.9742% (0.11 0.45 2.09) = 1.974% kept HE1 HIS 122 - HB2 ASN 35 16.667% * 0.0876% (0.11 0.02 0.02) = 0.088% HN GLU- 14 - HB2 ASN 35 16.667% * 0.0777% (0.10 0.02 0.02) = 0.078% Peak 2440 (7.62, 2.93, 38.30 ppm): 6 chemical-shift based assignments, quality = 0.339, support = 3.2, residual support = 82.9: O HD21 ASN 28 - HB2 ASN 28 16.667% * 94.4176% (0.32 10.0 3.36 87.83) = 94.418% kept HZ2 TRP 87 - HB2 ASN 28 16.667% * 5.2808% (0.61 1.0 0.60 0.14) = 5.281% kept QE PHE 60 - HB2 ASN 28 16.667% * 0.2429% (0.84 1.0 0.02 0.02) = 0.243% QE PHE 60 - HB2 ASN 35 16.667% * 0.0277% (0.10 1.0 0.02 0.02) = 0.028% HZ2 TRP 87 - HB2 ASN 35 16.667% * 0.0201% (0.07 1.0 0.02 0.58) = 0.020% HD21 ASN 28 - HB2 ASN 35 16.667% * 0.0108% (0.04 1.0 0.02 0.21) = 0.011% Peak 2441 (8.33, 4.00, 59.66 ppm): 12 chemical-shift based assignments, quality = 0.424, support = 3.46, residual support = 16.2: O HN GLN 30 - HA GLU- 29 8.333% * 69.9285% (0.20 10.0 4.65 23.07) = 69.929% kept HN GLU- 14 - HA GLU- 29 8.333% * 15.5341% (0.98 1.0 0.90 0.13) = 15.534% kept HE1 HIS 122 - HA GLU- 29 8.333% * 10.2320% (0.98 1.0 0.59 0.02) = 10.232% kept HN LYS+ 99 - HA GLU- 29 8.333% * 3.8334% (0.92 1.0 0.24 0.02) = 3.833% kept HN GLN 30 - HA GLN 32 8.333% * 0.1087% (0.02 1.0 0.38 0.88) = 0.109% HE1 HIS 122 - HA LYS+ 33 8.333% * 0.0889% (0.25 1.0 0.02 0.02) = 0.089% HN GLU- 14 - HA LYS+ 33 8.333% * 0.0889% (0.25 1.0 0.02 0.02) = 0.089% HN LYS+ 99 - HA LYS+ 33 8.333% * 0.0837% (0.24 1.0 0.02 0.02) = 0.084% HE1 HIS 122 - HA GLN 32 8.333% * 0.0285% (0.08 1.0 0.02 0.02) = 0.029% HN GLU- 14 - HA GLN 32 8.333% * 0.0285% (0.08 1.0 0.02 0.02) = 0.029% HN LYS+ 99 - HA GLN 32 8.333% * 0.0269% (0.08 1.0 0.02 0.02) = 0.027% HN GLN 30 - HA LYS+ 33 8.333% * 0.0179% (0.05 1.0 0.02 0.02) = 0.018% Peak 2442 (8.31, 2.25, 30.32 ppm): 6 chemical-shift based assignments, quality = 0.522, support = 4.59, residual support = 36.0: HN GLN 30 - HB2 GLU- 29 16.667% * 54.7190% (0.78 1.0 5.38 23.07) = 54.719% kept O HN GLU- 29 - HB2 GLU- 29 16.667% * 35.2025% (0.14 10.0 4.56 66.47) = 35.203% kept HN GLU- 14 - HB2 GLU- 29 16.667% * 4.8178% (0.67 1.0 0.56 0.13) = 4.818% kept HE1 HIS 122 - HB2 GLU- 29 16.667% * 3.3008% (0.43 1.0 0.59 0.02) = 3.301% kept HN LYS+ 99 - HB2 GLU- 29 16.667% * 0.9924% (0.32 1.0 0.24 0.02) = 0.992% HN ASP- 86 - HB2 GLU- 29 16.667% * 0.9674% (0.67 1.0 0.11 0.16) = 0.967% Peak 2443 (8.31, 2.15, 30.32 ppm): 12 chemical-shift based assignments, quality = 0.505, support = 4.01, residual support = 35.5: HN GLN 30 - HB3 GLU- 29 8.333% * 49.5674% (0.78 1.0 4.73 23.07) = 49.567% kept O HN GLU- 29 - HB3 GLU- 29 8.333% * 36.2443% (0.14 10.0 4.36 66.47) = 36.244% kept HN GLU- 14 - HB3 GLU- 29 8.333% * 7.1347% (0.67 1.0 0.80 0.13) = 7.135% kept HE1 HIS 122 - HB3 GLU- 29 8.333% * 3.3985% (0.43 1.0 0.59 0.02) = 3.398% kept HN ASP- 86 - QB GLU- 36 8.333% * 1.4748% (0.17 1.0 0.64 0.21) = 1.475% kept HN LYS+ 99 - HB3 GLU- 29 8.333% * 1.0218% (0.32 1.0 0.24 0.02) = 1.022% kept HN ASP- 86 - HB3 GLU- 29 8.333% * 0.9960% (0.67 1.0 0.11 0.16) = 0.996% HN GLN 30 - QB GLU- 36 8.333% * 0.0544% (0.20 1.0 0.02 0.02) = 0.054% HN GLU- 14 - QB GLU- 36 8.333% * 0.0463% (0.17 1.0 0.02 0.02) = 0.046% HE1 HIS 122 - QB GLU- 36 8.333% * 0.0298% (0.11 1.0 0.02 0.02) = 0.030% HN LYS+ 99 - QB GLU- 36 8.333% * 0.0225% (0.08 1.0 0.02 0.02) = 0.023% HN GLU- 29 - QB GLU- 36 8.333% * 0.0094% (0.04 1.0 0.02 0.11) = 0.009% Peak 2444 (2.44, 2.15, 30.32 ppm): 10 chemical-shift based assignments, quality = 0.975, support = 4.1, residual support = 66.1: O T HG2 GLU- 29 - HB3 GLU- 29 10.000% * 99.4907% (0.98 10.0 10.00 4.12 66.47) = 99.491% kept T HG2 GLU- 29 - QB GLU- 36 10.000% * 0.2580% (0.25 1.0 10.00 0.02 0.11) = 0.258% HB3 ASP- 86 - HB3 GLU- 29 10.000% * 0.0995% (0.98 1.0 1.00 0.02 0.16) = 0.099% HB3 ASP- 62 - HB3 GLU- 29 10.000% * 0.0436% (0.43 1.0 1.00 0.02 0.02) = 0.044% HB3 PHE 45 - HB3 GLU- 29 10.000% * 0.0282% (0.28 1.0 1.00 0.02 0.02) = 0.028% QE LYS+ 112 - HB3 GLU- 29 10.000% * 0.0282% (0.28 1.0 1.00 0.02 0.55) = 0.028% HB3 ASP- 86 - QB GLU- 36 10.000% * 0.0258% (0.25 1.0 1.00 0.02 0.21) = 0.026% HB3 ASP- 62 - QB GLU- 36 10.000% * 0.0113% (0.11 1.0 1.00 0.02 0.02) = 0.011% QE LYS+ 112 - QB GLU- 36 10.000% * 0.0073% (0.07 1.0 1.00 0.02 0.02) = 0.007% HB3 PHE 45 - QB GLU- 36 10.000% * 0.0073% (0.07 1.0 1.00 0.02 0.02) = 0.007% Peak 2445 (1.62, 3.84, 58.37 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 0.611, residual support = 3.03: HB3 LEU 123 - HA GLN 30 25.000% * 72.2499% (0.88 0.75 4.18) = 72.250% kept QD LYS+ 33 - HA GLN 30 25.000% * 25.7496% (0.88 0.27 0.02) = 25.750% kept HD3 LYS+ 111 - HA GLN 30 25.000% * 1.0627% (0.49 0.02 0.02) = 1.063% kept QB ALA 57 - HA GLN 30 25.000% * 0.9378% (0.43 0.02 0.02) = 0.938% Peak 2446 (0.83, 3.84, 58.37 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 2.57, residual support = 4.18: QD2 LEU 123 - HA GLN 30 100.000% *100.0000% (0.78 2.57 4.18) = 100.000% kept Peak 2447 (8.31, 3.84, 58.37 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 5.39, residual support = 113.1: O HN GLN 30 - HA GLN 30 16.667% * 86.5797% (0.96 10.0 5.82 129.04) = 86.580% kept HN GLU- 29 - HA GLN 30 16.667% * 5.7096% (0.28 1.0 4.53 23.07) = 5.710% kept HN ASP- 86 - HA GLN 30 16.667% * 4.3580% (0.88 1.0 1.09 0.57) = 4.358% kept HE1 HIS 122 - HA GLN 30 16.667% * 1.7465% (0.24 1.0 1.64 0.42) = 1.746% kept HN GLU- 14 - HA GLN 30 16.667% * 1.5913% (0.43 1.0 0.82 0.02) = 1.591% kept HN LYS+ 99 - HA GLN 30 16.667% * 0.0149% (0.16 1.0 0.02 0.02) = 0.015% Peak 2448 (8.31, 2.04, 28.09 ppm): 6 chemical-shift based assignments, quality = 0.903, support = 4.84, residual support = 117.0: O HN GLN 30 - HB2 GLN 30 16.667% * 89.8086% (0.96 10.0 5.15 129.04) = 89.809% kept HN GLU- 29 - HB2 GLN 30 16.667% * 4.7239% (0.28 1.0 3.62 23.07) = 4.724% kept HN ASP- 86 - HB2 GLN 30 16.667% * 2.4926% (0.88 1.0 0.60 0.57) = 2.493% kept HE1 HIS 122 - HB2 GLN 30 16.667% * 1.5026% (0.24 1.0 1.36 0.42) = 1.503% kept HN GLU- 14 - HB2 GLN 30 16.667% * 1.4569% (0.43 1.0 0.72 0.02) = 1.457% kept HN LYS+ 99 - HB2 GLN 30 16.667% * 0.0155% (0.16 1.0 0.02 0.02) = 0.015% Peak 2449 (8.32, 1.89, 28.09 ppm): 5 chemical-shift based assignments, quality = 0.485, support = 4.53, residual support = 97.5: O HN GLN 30 - HB3 GLN 30 20.000% * 75.5241% (0.38 10.0 5.57 129.04) = 75.524% kept HE1 HIS 122 - HB3 GLN 30 20.000% * 14.5638% (0.84 1.0 1.73 0.42) = 14.564% kept HN GLU- 14 - HB3 GLN 30 20.000% * 7.5506% (0.98 1.0 0.77 0.02) = 7.551% kept HN ASP- 86 - HB3 GLN 30 20.000% * 2.2153% (0.28 1.0 0.79 0.57) = 2.215% kept HN LYS+ 99 - HB3 GLN 30 20.000% * 0.1461% (0.73 1.0 0.02 0.02) = 0.146% Peak 2450 (8.32, 2.73, 33.78 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 4.6, residual support = 84.5: HN GLN 30 - HG2 GLN 30 20.000% * 65.3949% (0.38 6.68 129.04) = 65.395% kept HE1 HIS 122 - HG2 GLN 30 20.000% * 17.4247% (0.84 0.80 0.42) = 17.425% kept HN GLU- 14 - HG2 GLN 30 20.000% * 11.1808% (0.98 0.44 0.02) = 11.181% kept HN ASP- 86 - HG2 GLN 30 20.000% * 5.6206% (0.28 0.77 0.57) = 5.621% kept HN LYS+ 99 - HG2 GLN 30 20.000% * 0.3790% (0.73 0.02 0.02) = 0.379% Peak 2451 (7.19, 2.73, 33.78 ppm): 4 chemical-shift based assignments, quality = 0.732, support = 3.88, residual support = 125.2: O HE21 GLN 30 - HG2 GLN 30 25.000% * 97.0441% (0.73 10.0 3.98 129.04) = 97.044% kept HD1 TRP 27 - HG2 GLN 30 25.000% * 2.7655% (1.00 1.0 0.42 0.02) = 2.766% kept QD PHE 59 - HG2 GLN 30 25.000% * 0.1330% (1.00 1.0 0.02 0.02) = 0.133% HH2 TRP 49 - HG2 GLN 30 25.000% * 0.0574% (0.43 1.0 0.02 0.02) = 0.057% Peak 2452 (7.19, 2.03, 33.78 ppm): 8 chemical-shift based assignments, quality = 0.72, support = 3.09, residual support = 127.9: O HE21 GLN 30 - HG3 GLN 30 12.500% * 99.1486% (0.73 10.0 3.11 129.04) = 99.149% kept HD1 TRP 27 - HG3 GLN 30 12.500% * 0.6218% (1.00 1.0 0.09 0.02) = 0.622% QD PHE 59 - HG3 GLN 30 12.500% * 0.1359% (1.00 1.0 0.02 0.02) = 0.136% HH2 TRP 49 - HG3 GLN 30 12.500% * 0.0587% (0.43 1.0 0.02 0.02) = 0.059% HD1 TRP 27 - HB2 LYS+ 111 12.500% * 0.0111% (0.08 1.0 0.02 0.02) = 0.011% QD PHE 59 - HB2 LYS+ 111 12.500% * 0.0111% (0.08 1.0 0.02 0.02) = 0.011% HE21 GLN 30 - HB2 LYS+ 111 12.500% * 0.0081% (0.06 1.0 0.02 0.02) = 0.008% HH2 TRP 49 - HB2 LYS+ 111 12.500% * 0.0048% (0.04 1.0 0.02 0.02) = 0.005% Peak 2453 (8.32, 2.03, 33.78 ppm): 10 chemical-shift based assignments, quality = 0.495, support = 4.31, residual support = 90.8: HN GLN 30 - HG3 GLN 30 10.000% * 70.2837% (0.38 5.94 129.04) = 70.284% kept HN GLU- 14 - HG3 GLN 30 10.000% * 12.3859% (0.98 0.40 0.02) = 12.386% kept HE1 HIS 122 - HG3 GLN 30 10.000% * 11.3257% (0.84 0.43 0.42) = 11.326% kept HN ASP- 86 - HG3 GLN 30 10.000% * 5.3824% (0.28 0.61 0.57) = 5.382% kept HN LYS+ 99 - HG3 GLN 30 10.000% * 0.4576% (0.73 0.02 0.02) = 0.458% HN GLU- 14 - HB2 LYS+ 111 10.000% * 0.0505% (0.08 0.02 0.02) = 0.050% HE1 HIS 122 - HB2 LYS+ 111 10.000% * 0.0430% (0.07 0.02 0.02) = 0.043% HN LYS+ 99 - HB2 LYS+ 111 10.000% * 0.0374% (0.06 0.02 0.02) = 0.037% HN GLN 30 - HB2 LYS+ 111 10.000% * 0.0193% (0.03 0.02 0.02) = 0.019% HN ASP- 86 - HB2 LYS+ 111 10.000% * 0.0143% (0.02 0.02 0.02) = 0.014% Peak 2454 (0.81, 1.89, 28.09 ppm): 3 chemical-shift based assignments, quality = 0.427, support = 1.05, residual support = 1.96: T QD1 ILE 56 - HB3 GLN 30 33.333% * 51.5986% (0.20 10.00 0.77 1.05) = 51.599% kept HG3 LYS+ 121 - HB3 GLN 30 33.333% * 26.5662% (0.96 1.00 0.83 1.91) = 26.566% kept QD2 LEU 123 - HB3 GLN 30 33.333% * 21.8351% (0.32 1.00 2.00 4.18) = 21.835% kept Peak 2455 (0.59, 1.89, 28.09 ppm): 5 chemical-shift based assignments, quality = 0.867, support = 0.789, residual support = 0.66: QD2 LEU 80 - HB3 GLN 30 20.000% * 27.7368% (0.98 0.90 0.45) = 27.737% kept QD2 LEU 115 - HB3 GLN 30 20.000% * 26.3260% (1.00 0.84 0.43) = 26.326% kept QD1 LEU 104 - HB3 GLN 30 20.000% * 18.4131% (0.73 0.81 1.75) = 18.413% kept QD1 LEU 73 - HB3 GLN 30 20.000% * 15.0244% (0.73 0.66 0.65) = 15.024% kept QD1 LEU 63 - HB3 GLN 30 20.000% * 12.4997% (0.73 0.55 0.02) = 12.500% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2456 (0.82, 2.04, 28.09 ppm): 2 chemical-shift based assignments, quality = 0.811, support = 1.06, residual support = 3.72: QD2 LEU 123 - HB2 GLN 30 50.000% * 79.4891% (0.92 1.15 4.18) = 79.489% kept HG3 LYS+ 121 - HB2 GLN 30 50.000% * 20.5109% (0.38 0.73 1.91) = 20.511% kept Peak 2457 (0.59, 2.04, 28.09 ppm): 5 chemical-shift based assignments, quality = 0.841, support = 0.986, residual support = 0.659: QD1 LEU 73 - HB2 GLN 30 20.000% * 32.1346% (0.73 1.55 0.65) = 32.135% kept QD2 LEU 80 - HB2 GLN 30 20.000% * 22.5826% (0.98 0.81 0.45) = 22.583% kept QD2 LEU 115 - HB2 GLN 30 20.000% * 21.3792% (1.00 0.75 0.43) = 21.379% kept QD1 LEU 104 - HB2 GLN 30 20.000% * 14.5511% (0.73 0.70 1.75) = 14.551% kept QD1 LEU 63 - HB2 GLN 30 20.000% * 9.3526% (0.73 0.45 0.02) = 9.353% kept Peak 2458 (3.85, 2.03, 33.78 ppm): 14 chemical-shift based assignments, quality = 0.384, support = 4.75, residual support = 121.9: O T HA GLN 30 - HG3 GLN 30 7.143% * 94.4427% (0.38 10.0 10.00 5.00 129.04) = 94.443% kept QB SER 13 - HG3 GLN 30 7.143% * 4.8124% (0.61 1.0 1.00 0.63 0.02) = 4.812% kept HB3 SER 82 - HG3 GLN 30 7.143% * 0.2467% (0.98 1.0 1.00 0.02 0.02) = 0.247% HB THR 39 - HG3 GLN 30 7.143% * 0.1374% (0.55 1.0 1.00 0.02 0.02) = 0.137% HD3 PRO 52 - HG3 GLN 30 7.143% * 0.1225% (0.49 1.0 1.00 0.02 0.02) = 0.122% HB3 SER 37 - HG3 GLN 30 7.143% * 0.0817% (0.32 1.0 1.00 0.02 0.02) = 0.082% HA ILE 89 - HG3 GLN 30 7.143% * 0.0817% (0.32 1.0 1.00 0.02 0.02) = 0.082% HB3 SER 82 - HB2 LYS+ 111 7.143% * 0.0202% (0.08 1.0 1.00 0.02 0.02) = 0.020% QB SER 13 - HB2 LYS+ 111 7.143% * 0.0125% (0.05 1.0 1.00 0.02 0.02) = 0.012% HB THR 39 - HB2 LYS+ 111 7.143% * 0.0112% (0.04 1.0 1.00 0.02 0.02) = 0.011% HD3 PRO 52 - HB2 LYS+ 111 7.143% * 0.0100% (0.04 1.0 1.00 0.02 0.02) = 0.010% HA GLN 30 - HB2 LYS+ 111 7.143% * 0.0077% (0.03 1.0 1.00 0.02 0.02) = 0.008% HA ILE 89 - HB2 LYS+ 111 7.143% * 0.0067% (0.03 1.0 1.00 0.02 0.52) = 0.007% HB3 SER 37 - HB2 LYS+ 111 7.143% * 0.0067% (0.03 1.0 1.00 0.02 0.02) = 0.007% Peak 2459 (6.74, 0.00, 23.44 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 1.87, residual support = 9.82: HZ2 TRP 27 - QD1 LEU 31 100.000% *100.0000% (0.73 1.87 9.82) = 100.000% kept Peak 2460 (7.60, 0.00, 23.44 ppm): 4 chemical-shift based assignments, quality = 0.669, support = 0.814, residual support = 3.64: HD21 ASN 28 - QD1 LEU 31 25.000% * 49.5343% (0.84 0.86 6.33) = 49.534% kept HZ2 TRP 87 - QD1 LEU 31 25.000% * 35.3630% (0.55 0.94 1.36) = 35.363% kept HN ILE 56 - QD1 LEU 31 25.000% * 11.9956% (0.38 0.46 0.12) = 11.996% kept HN LEU 63 - QD1 LEU 31 25.000% * 3.1071% (0.55 0.08 0.34) = 3.107% kept Peak 2461 (7.82, 0.00, 23.44 ppm): 2 chemical-shift based assignments, quality = 0.794, support = 0.383, residual support = 0.622: HN ALA 88 - QD1 LEU 31 50.000% * 81.2767% (0.92 0.39 0.73) = 81.277% kept HN PHE 55 - QD1 LEU 31 50.000% * 18.7233% (0.24 0.35 0.13) = 18.723% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2462 (7.86, 0.79, 27.16 ppm): 4 chemical-shift based assignments, quality = 0.441, support = 4.15, residual support = 95.7: HN LEU 31 - HG LEU 31 25.000% * 54.1894% (0.40 6.08 174.46) = 54.189% kept HN ARG+ 54 - HG LEU 31 25.000% * 26.7072% (0.59 2.04 2.80) = 26.707% kept HN LYS+ 38 - HG LEU 31 25.000% * 11.2909% (0.23 2.25 3.54) = 11.291% kept HN ASP- 62 - HG LEU 31 25.000% * 7.8125% (0.47 0.75 0.02) = 7.813% kept Peak 2463 (7.88, 1.12, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.829, support = 1.88, residual support = 3.26: HN LYS+ 38 - HB3 LEU 31 33.333% * 63.6127% (1.00 1.87 3.54) = 63.613% kept HN ARG+ 54 - HB3 LEU 31 33.333% * 35.8866% (0.55 1.92 2.80) = 35.887% kept HN ASP- 62 - HB3 LEU 31 33.333% * 0.5007% (0.14 0.11 0.02) = 0.501% Peak 2464 (8.07, 1.12, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.559, support = 4.06, residual support = 23.2: HN GLN 32 - HB3 LEU 31 25.000% * 58.5043% (0.55 5.69 34.90) = 58.504% kept HN ALA 34 - HB3 LEU 31 25.000% * 24.5886% (0.67 1.96 9.42) = 24.589% kept HN LEU 80 - HB3 LEU 31 25.000% * 14.6342% (0.49 1.60 3.34) = 14.634% kept HN CYS 53 - HB3 LEU 31 25.000% * 2.2729% (0.20 0.61 0.02) = 2.273% kept Peak 2465 (4.14, 1.33, 40.94 ppm): 6 chemical-shift based assignments, quality = 0.629, support = 1.17, residual support = 4.74: HA ASN 28 - HB2 LEU 31 16.667% * 43.5004% (0.49 1.98 6.33) = 43.500% kept HA ALA 34 - HB2 LEU 31 16.667% * 20.7629% (0.78 0.59 9.42) = 20.763% kept HA THR 26 - HB2 LEU 31 16.667% * 17.7818% (0.55 0.72 0.11) = 17.782% kept HA GLU- 114 - HB2 LEU 31 16.667% * 14.8426% (0.98 0.34 0.02) = 14.843% kept HA LEU 115 - HB2 LEU 31 16.667% * 2.2286% (0.55 0.09 0.31) = 2.229% kept HA1 GLY 101 - HB2 LEU 31 16.667% * 0.8836% (0.98 0.02 0.02) = 0.884% Peak 2467 (7.88, 1.33, 40.94 ppm): 3 chemical-shift based assignments, quality = 0.83, support = 1.87, residual support = 3.26: HN LYS+ 38 - HB2 LEU 31 33.333% * 63.7923% (1.00 1.86 3.54) = 63.792% kept HN ARG+ 54 - HB2 LEU 31 33.333% * 35.7049% (0.55 1.90 2.80) = 35.705% kept HN ASP- 62 - HB2 LEU 31 33.333% * 0.5029% (0.14 0.11 0.02) = 0.503% Peak 2468 (8.07, 1.33, 40.94 ppm): 4 chemical-shift based assignments, quality = 0.569, support = 4.17, residual support = 21.0: HN GLN 32 - HB2 LEU 31 25.000% * 49.7682% (0.55 5.68 34.90) = 49.768% kept HN ALA 34 - HB2 LEU 31 25.000% * 34.3648% (0.67 3.21 9.42) = 34.365% kept HN LEU 80 - HB2 LEU 31 25.000% * 12.6452% (0.49 1.62 3.34) = 12.645% kept HN CYS 53 - HB2 LEU 31 25.000% * 3.2218% (0.20 1.01 0.02) = 3.222% kept Peak 2469 (7.88, 3.61, 58.19 ppm): 3 chemical-shift based assignments, quality = 0.826, support = 1.9, residual support = 3.25: HN LYS+ 38 - HA LEU 31 33.333% * 62.9031% (1.00 1.87 3.54) = 62.903% kept HN ARG+ 54 - HA LEU 31 33.333% * 36.6024% (0.55 1.98 2.80) = 36.602% kept HN ASP- 62 - HA LEU 31 33.333% * 0.4945% (0.14 0.11 0.02) = 0.494% Peak 2470 (8.07, 3.61, 58.19 ppm): 4 chemical-shift based assignments, quality = 0.556, support = 5.02, residual support = 28.6: O HN GLN 32 - HA LEU 31 25.000% * 77.1152% (0.55 10.0 5.69 34.90) = 77.115% kept HN ALA 34 - HA LEU 31 25.000% * 14.9627% (0.67 1.0 3.18 9.42) = 14.963% kept HN LEU 80 - HA LEU 31 25.000% * 7.1499% (0.49 1.0 2.08 3.34) = 7.150% kept HN CYS 53 - HA LEU 31 25.000% * 0.7722% (0.20 1.0 0.55 0.02) = 0.772% Peak 2471 (0.60, 3.61, 58.19 ppm): 6 chemical-shift based assignments, quality = 0.732, support = 0.964, residual support = 1.81: QD2 LEU 80 - HA LEU 31 16.667% * 48.5482% (0.73 1.43 3.34) = 48.548% kept QD1 LEU 104 - HA LEU 31 16.667% * 25.1155% (0.98 0.55 0.33) = 25.115% kept QD2 LEU 115 - HA LEU 31 16.667% * 17.5544% (0.67 0.56 0.31) = 17.554% kept QD1 LEU 63 - HA LEU 31 16.667% * 4.1417% (0.20 0.45 0.34) = 4.142% kept QD1 LEU 73 - HA LEU 31 16.667% * 4.0711% (0.20 0.44 0.85) = 4.071% kept QG1 VAL 83 - HA LEU 31 16.667% * 0.5691% (0.61 0.02 0.02) = 0.569% Peak 2472 (7.73, 0.08, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.68, support = 1.75, residual support = 3.11: HN TRP 27 - QG2 VAL 83 16.667% * 53.4199% (1.00 1.43 2.40) = 53.420% kept HD1 TRP 87 - QG2 VAL 83 16.667% * 27.4342% (0.24 3.11 5.19) = 27.434% kept HN ALA 91 - QG2 VAL 83 16.667% * 9.7819% (0.67 0.39 0.02) = 9.782% kept HE3 TRP 87 - QG2 VAL 83 16.667% * 7.6666% (0.16 1.25 5.19) = 7.667% kept HN THR 39 - QG2 VAL 83 16.667% * 1.2887% (0.28 0.12 0.02) = 1.289% kept HN ALA 61 - QG2 VAL 83 16.667% * 0.4087% (0.55 0.02 0.02) = 0.409% Peak 2473 (6.72, 0.08, 20.84 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 0.0945, residual support = 0.02: HZ PHE 72 - QG2 VAL 83 100.000% *100.0000% (0.78 0.09 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2474 (7.17, 0.15, 20.83 ppm): 4 chemical-shift based assignments, quality = 0.249, support = 0.184, residual support = 1.23: HD1 TRP 27 - QG2 VAL 42 25.000% * 61.3403% (0.12 0.29 1.39) = 61.340% kept HH2 TRP 49 - QG2 VAL 42 25.000% * 19.9595% (0.56 0.02 1.84) = 19.960% kept HE21 GLN 30 - QG2 VAL 42 25.000% * 14.4213% (0.40 0.02 0.02) = 14.421% kept QD PHE 59 - QG2 VAL 42 25.000% * 4.2789% (0.12 0.02 0.02) = 4.279% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2475 (0.98, 0.15, 20.83 ppm): 6 chemical-shift based assignments, quality = 0.421, support = 0.185, residual support = 0.32: QD2 LEU 40 - QG2 VAL 42 16.667% * 37.3371% (0.59 1.00 0.30 0.82) = 37.337% kept T HB VAL 75 - QG2 VAL 42 16.667% * 34.8091% (0.12 10.00 0.14 0.02) = 34.809% kept QD1 LEU 67 - QG2 VAL 42 16.667% * 14.0094% (0.60 1.00 0.11 0.02) = 14.009% kept HG3 LYS+ 74 - QG2 VAL 42 16.667% * 10.8197% (0.54 1.00 0.10 0.02) = 10.820% kept QG2 ILE 103 - QG2 VAL 42 16.667% * 2.5167% (0.59 1.00 0.02 0.02) = 2.517% kept QD2 LEU 71 - QG2 VAL 42 16.667% * 0.5081% (0.12 1.00 0.02 0.02) = 0.508% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2476 (6.75, 0.07, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 2.49, residual support = 9.82: T HZ2 TRP 27 - QD2 LEU 31 100.000% *100.0000% (0.98 10.00 2.49 9.82) = 100.000% kept Peak 2477 (6.64, 0.07, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.779, support = 2.88, residual support = 27.2: HE22 GLN 30 - QD2 LEU 31 33.333% * 99.4964% (0.78 2.89 27.30) = 99.496% kept HD22 ASN 69 - QD2 LEU 31 33.333% * 0.3297% (0.38 0.02 0.02) = 0.330% HN TRP 49 - QD2 LEU 31 33.333% * 0.1739% (0.20 0.02 0.02) = 0.174% Peak 2478 (4.68, 0.06, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.188, support = 2.58, residual support = 43.1: O T HA VAL 43 - QG2 VAL 43 16.667% * 85.8307% (0.21 10.0 10.00 2.84 50.06) = 85.831% kept T HA VAL 43 - QD2 LEU 31 16.667% * 13.7398% (0.06 1.0 10.00 1.04 0.96) = 13.740% kept HA HIS 22 - QG2 VAL 43 16.667% * 0.1728% (0.42 1.0 1.00 0.02 0.02) = 0.173% HA ASN 69 - QG2 VAL 43 16.667% * 0.1556% (0.38 1.0 1.00 0.02 0.02) = 0.156% HA HIS 22 - QD2 LEU 31 16.667% * 0.0532% (0.13 1.0 1.00 0.02 0.02) = 0.053% HA ASN 69 - QD2 LEU 31 16.667% * 0.0479% (0.12 1.0 1.00 0.02 0.02) = 0.048% Peak 2479 (6.34, 0.06, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.0954, support = 2.13, residual support = 8.26: T HZ3 TRP 27 - QD2 LEU 31 50.000% * 78.5097% (0.06 10.00 2.26 9.82) = 78.510% kept HZ3 TRP 27 - QG2 VAL 43 50.000% * 21.4903% (0.21 1.00 1.68 2.54) = 21.490% kept Peak 2480 (8.05, 2.39, 33.78 ppm): 2 chemical-shift based assignments, quality = 0.838, support = 3.81, residual support = 32.6: HN GLN 32 - QG GLN 32 50.000% * 96.7079% (0.84 3.94 33.72) = 96.708% kept HN SER 85 - QG GLN 32 50.000% * 3.2921% (0.92 0.12 0.02) = 3.292% kept Peak 2481 (8.05, 2.11, 27.95 ppm): 2 chemical-shift based assignments, quality = 0.83, support = 3.95, residual support = 33.5: O HN GLN 32 - QB GLN 32 50.000% * 99.3338% (0.84 10.0 3.98 33.72) = 99.334% kept HN SER 85 - QB GLN 32 50.000% * 0.6662% (0.92 1.0 0.12 0.02) = 0.666% Peak 2484 (8.32, 4.00, 59.42 ppm): 15 chemical-shift based assignments, quality = 0.236, support = 4.1, residual support = 20.0: O HN GLN 30 - HA GLU- 29 6.667% * 86.4336% (0.24 10.0 4.65 23.07) = 86.434% kept HN GLU- 14 - HA GLU- 29 6.667% * 5.3385% (0.33 1.0 0.90 0.13) = 5.338% kept HE1 HIS 122 - HA GLU- 29 6.667% * 2.5534% (0.24 1.0 0.59 0.02) = 2.553% kept HN GLN 30 - HA GLN 32 6.667% * 1.7949% (0.26 1.0 0.38 0.88) = 1.795% kept HN ASP- 86 - HA GLN 32 6.667% * 1.4734% (0.21 1.0 0.39 0.02) = 1.473% kept HN LYS+ 99 - HA GLU- 29 6.667% * 0.8152% (0.19 1.0 0.24 0.02) = 0.815% HN ASP- 86 - HA LYS+ 33 6.667% * 0.7514% (0.25 1.0 0.17 0.02) = 0.751% HN GLU- 14 - HA LYS+ 33 6.667% * 0.1541% (0.42 1.0 0.02 0.02) = 0.154% HN GLU- 14 - HA GLN 32 6.667% * 0.1310% (0.36 1.0 0.02 0.02) = 0.131% HN GLN 30 - HA LYS+ 33 6.667% * 0.1119% (0.31 1.0 0.02 0.02) = 0.112% HE1 HIS 122 - HA LYS+ 33 6.667% * 0.1119% (0.31 1.0 0.02 0.02) = 0.112% HE1 HIS 122 - HA GLN 32 6.667% * 0.0952% (0.26 1.0 0.02 0.02) = 0.095% HN LYS+ 99 - HA LYS+ 33 6.667% * 0.0898% (0.25 1.0 0.02 0.02) = 0.090% HN LYS+ 99 - HA GLN 32 6.667% * 0.0764% (0.21 1.0 0.02 0.02) = 0.076% HN ASP- 86 - HA GLU- 29 6.667% * 0.0694% (0.19 1.0 0.02 0.16) = 0.069% Peak 2485 (8.04, 4.00, 59.42 ppm): 9 chemical-shift based assignments, quality = 0.146, support = 3.15, residual support = 26.1: O HN GLN 32 - HA GLN 32 11.111% * 71.7571% (0.12 10.0 3.62 33.72) = 71.757% kept HN GLN 32 - HA LYS+ 33 11.111% * 14.1966% (0.14 1.0 3.37 13.33) = 14.197% kept HN SER 85 - HA GLN 32 11.111% * 6.0969% (0.36 1.0 0.57 0.02) = 6.097% kept HN SER 85 - HA GLU- 29 11.111% * 5.1800% (0.33 1.0 0.53 0.02) = 5.180% kept HN GLN 32 - HA GLU- 29 11.111% * 1.5945% (0.11 1.0 0.49 0.02) = 1.595% kept HN THR 94 - HA GLU- 29 11.111% * 0.8102% (0.08 1.0 0.35 0.02) = 0.810% HN SER 85 - HA LYS+ 33 11.111% * 0.2535% (0.42 1.0 0.02 0.02) = 0.253% HN THR 94 - HA LYS+ 33 11.111% * 0.0601% (0.10 1.0 0.02 0.02) = 0.060% HN THR 94 - HA GLN 32 11.111% * 0.0511% (0.09 1.0 0.02 0.02) = 0.051% Peak 2486 (7.94, 4.01, 59.34 ppm): 6 chemical-shift based assignments, quality = 0.428, support = 4.48, residual support = 108.6: O HN LYS+ 33 - HA LYS+ 33 16.667% * 99.6948% (0.43 10.0 4.49 108.90) = 99.695% kept HN CYS 21 - HA LYS+ 33 16.667% * 0.1817% (0.78 1.0 0.02 0.02) = 0.182% HN CYS 21 - HA GLU- 29 16.667% * 0.0485% (0.21 1.0 0.02 0.02) = 0.049% HN ILE 119 - HA LYS+ 33 16.667% * 0.0382% (0.16 1.0 0.02 0.02) = 0.038% HN LYS+ 33 - HA GLU- 29 16.667% * 0.0266% (0.11 1.0 0.02 0.02) = 0.027% HN ILE 119 - HA GLU- 29 16.667% * 0.0102% (0.04 1.0 0.02 0.02) = 0.010% Peak 2487 (7.29, 1.86, 32.27 ppm): 3 chemical-shift based assignments, quality = 0.951, support = 3.98, residual support = 4.96: HN LYS+ 81 - QB LYS+ 33 33.333% * 99.4806% (0.96 4.01 4.99) = 99.481% kept QD PHE 60 - QB LYS+ 33 33.333% * 0.4340% (0.84 0.02 0.02) = 0.434% HN LYS+ 66 - QB LYS+ 33 33.333% * 0.0855% (0.16 0.02 0.02) = 0.085% Peak 2488 (7.95, 1.86, 32.27 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 4.55, residual support = 108.9: O HN LYS+ 33 - QB LYS+ 33 50.000% * 99.9699% (0.92 10.0 4.55 108.90) = 99.970% kept HN CYS 21 - QB LYS+ 33 50.000% * 0.0301% (0.28 1.0 0.02 0.02) = 0.030% Peak 2489 (8.07, 1.86, 32.27 ppm): 4 chemical-shift based assignments, quality = 0.71, support = 4.09, residual support = 14.6: HN ALA 34 - QB LYS+ 33 25.000% * 62.0517% (0.84 5.04 19.04) = 62.052% kept HN GLN 32 - QB LYS+ 33 25.000% * 19.0422% (0.38 3.44 13.33) = 19.042% kept HN LEU 80 - QB LYS+ 33 25.000% * 17.1998% (0.67 1.75 1.16) = 17.200% kept HN CYS 53 - QB LYS+ 33 25.000% * 1.7063% (0.32 0.36 0.02) = 1.706% kept Peak 2490 (8.63, 1.86, 32.27 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 0.724, residual support = 0.552: HN SER 82 - QB LYS+ 33 33.333% * 96.5034% (0.61 0.75 0.57) = 96.503% kept HN GLN 90 - QB LYS+ 33 33.333% * 2.3169% (0.55 0.02 0.02) = 2.317% kept HN ILE 103 - QB LYS+ 33 33.333% * 1.1797% (0.28 0.02 0.02) = 1.180% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2491 (4.02, 1.55, 25.23 ppm): 15 chemical-shift based assignments, quality = 0.23, support = 5.18, residual support = 105.9: O HA LYS+ 33 - HG2 LYS+ 33 6.667% * 97.2354% (0.24 10.0 5.32 108.90) = 97.235% kept HA LYS+ 33 - HG2 LYS+ 106 6.667% * 1.0807% (0.10 1.0 0.51 0.34) = 1.081% kept HA GLN 116 - HG2 LYS+ 33 6.667% * 0.2751% (0.67 1.0 0.02 0.02) = 0.275% HA VAL 70 - HG2 LYS+ 33 6.667% * 0.2751% (0.67 1.0 0.02 0.02) = 0.275% HB2 SER 37 - HG2 LYS+ 33 6.667% * 0.2751% (0.67 1.0 0.02 0.02) = 0.275% HA GLN 116 - HG2 LYS+ 106 6.667% * 0.1192% (0.29 1.0 0.02 0.02) = 0.119% HA VAL 70 - HG2 LYS+ 106 6.667% * 0.1192% (0.29 1.0 0.02 0.02) = 0.119% HB2 SER 37 - HG2 LYS+ 106 6.667% * 0.1192% (0.29 1.0 0.02 0.02) = 0.119% HA GLN 116 - QG LYS+ 81 6.667% * 0.1052% (0.25 1.0 0.02 0.13) = 0.105% HA VAL 70 - QG LYS+ 81 6.667% * 0.1052% (0.25 1.0 0.02 0.02) = 0.105% HB2 SER 37 - QG LYS+ 81 6.667% * 0.1052% (0.25 1.0 0.02 0.02) = 0.105% HA1 GLY 16 - HG2 LYS+ 33 6.667% * 0.0816% (0.20 1.0 0.02 0.02) = 0.082% HA LYS+ 33 - QG LYS+ 81 6.667% * 0.0372% (0.09 1.0 0.02 4.99) = 0.037% HA1 GLY 16 - HG2 LYS+ 106 6.667% * 0.0354% (0.09 1.0 0.02 0.02) = 0.035% HA1 GLY 16 - QG LYS+ 81 6.667% * 0.0312% (0.08 1.0 0.02 0.02) = 0.031% Peak 2492 (0.79, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.955, support = 4.03, residual support = 79.8: T QD1 ILE 56 - QG2 ILE 56 25.000% * 99.8466% (0.96 10.00 4.04 79.89) = 99.847% kept QD2 LEU 73 - QG2 ILE 56 25.000% * 0.0633% (0.61 1.00 0.02 0.36) = 0.063% HG3 LYS+ 121 - QG2 ILE 56 25.000% * 0.0508% (0.49 1.00 0.02 0.02) = 0.051% HG LEU 31 - QG2 ILE 56 25.000% * 0.0392% (0.38 1.00 0.02 0.12) = 0.039% Peak 2493 (4.17, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.851, support = 0.0339, residual support = 0.0997: T HA CYS 53 - QG2 ILE 56 25.000% * 78.4448% (0.98 10.00 0.02 0.12) = 78.445% kept HA THR 26 - QG2 ILE 56 25.000% * 13.6192% (0.28 1.00 0.12 0.02) = 13.619% kept HA ILE 19 - QG2 ILE 56 25.000% * 5.3378% (0.67 1.00 0.02 0.02) = 5.338% kept HA GLU- 25 - QG2 ILE 56 25.000% * 2.5982% (0.32 1.00 0.02 0.02) = 2.598% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2494 (4.45, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.767, support = 3.32, residual support = 11.0: HA PHE 55 - QG2 ILE 56 25.000% * 80.3872% (0.84 3.94 13.49) = 80.387% kept HA GLN 90 - QG2 ILE 56 25.000% * 11.0653% (0.55 0.83 0.91) = 11.065% kept HA ALA 110 - QG2 ILE 56 25.000% * 7.3539% (0.38 0.80 0.90) = 7.354% kept HA VAL 42 - QG2 ILE 56 25.000% * 1.1935% (0.61 0.08 0.02) = 1.194% kept Peak 2495 (6.89, 1.27, 17.92 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 1.5, residual support = 4.85: HN LYS+ 65 - QG2 ILE 56 100.000% *100.0000% (0.49 1.50 4.85) = 100.000% kept Peak 2496 (7.40, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.806, support = 3.92, residual support = 15.1: HN ALA 57 - QG2 ILE 56 25.000% * 84.3028% (0.84 4.47 17.73) = 84.303% kept HE21 GLN 90 - QG2 ILE 56 25.000% * 15.2799% (0.67 1.01 0.91) = 15.280% kept HE21 GLN 116 - QG2 ILE 56 25.000% * 0.3279% (0.73 0.02 0.02) = 0.328% HN ALA 120 - QG2 ILE 56 25.000% * 0.0894% (0.20 0.02 0.02) = 0.089% Peak 2497 (7.60, 1.27, 17.92 ppm): 4 chemical-shift based assignments, quality = 0.562, support = 3.71, residual support = 37.7: HN ILE 56 - QG2 ILE 56 25.000% * 44.5092% (0.38 5.88 79.89) = 44.509% kept HD21 ASN 28 - QG2 ILE 56 25.000% * 32.2013% (0.84 1.91 2.96) = 32.201% kept HZ2 TRP 87 - QG2 ILE 56 25.000% * 23.0690% (0.55 2.09 5.03) = 23.069% kept HN LEU 63 - QG2 ILE 56 25.000% * 0.2204% (0.55 0.02 0.02) = 0.220% Peak 2498 (3.86, 1.28, 18.57 ppm): 7 chemical-shift based assignments, quality = 0.611, support = 1.61, residual support = 1.52: T HB THR 39 - QB ALA 34 14.286% * 83.9010% (0.61 10.00 1.73 1.72) = 83.901% kept QB SER 13 - QB ALA 34 14.286% * 6.1070% (0.65 1.00 1.18 0.58) = 6.107% kept HB3 SER 82 - QB ALA 34 14.286% * 5.5868% (0.77 1.00 0.92 0.59) = 5.587% kept HA GLN 30 - QB ALA 34 14.286% * 1.4768% (0.15 1.00 1.21 0.22) = 1.477% kept HB3 SER 37 - QB ALA 34 14.286% * 1.4470% (0.43 1.00 0.43 0.02) = 1.447% kept HA ILE 89 - QB ALA 34 14.286% * 1.4470% (0.43 1.00 0.43 0.02) = 1.447% kept HD3 PRO 52 - QB ALA 34 14.286% * 0.0344% (0.22 1.00 0.02 0.02) = 0.034% Peak 2499 (3.63, 1.28, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.381, support = 1.86, residual support = 9.42: HA LEU 31 - QB ALA 34 100.000% *100.0000% (0.38 1.86 9.42) = 100.000% kept Peak 2500 (0.77, 1.28, 18.57 ppm): 5 chemical-shift based assignments, quality = 0.536, support = 1.42, residual support = 2.98: T QG1 VAL 41 - QB ALA 34 20.000% * 86.0128% (0.52 10.00 1.38 2.00) = 86.013% kept HG LEU 31 - QB ALA 34 20.000% * 13.3651% (0.65 1.00 1.72 9.42) = 13.365% kept T QD1 ILE 56 - QB ALA 34 20.000% * 0.4392% (0.18 10.00 0.02 0.02) = 0.439% QD2 LEU 73 - QB ALA 34 20.000% * 0.1130% (0.47 1.00 0.02 0.02) = 0.113% QG1 VAL 43 - QB ALA 34 20.000% * 0.0699% (0.29 1.00 0.02 0.02) = 0.070% Peak 2501 (8.38, 1.28, 18.57 ppm): 2 chemical-shift based assignments, quality = 0.515, support = 2.4, residual support = 8.47: HN ASN 35 - QB ALA 34 50.000% * 59.6023% (0.34 3.35 13.65) = 59.602% kept HN ALA 12 - QB ALA 34 50.000% * 40.3977% (0.78 0.98 0.82) = 40.398% kept Peak 2502 (8.09, 1.28, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.302, support = 3.1, residual support = 15.0: O HN ALA 34 - QB ALA 34 33.333% * 93.3981% (0.29 10.0 3.25 16.01) = 93.398% kept HN LEU 80 - QB ALA 34 33.333% * 6.3823% (0.43 1.0 0.94 0.11) = 6.382% kept HN CYS 53 - QB ALA 34 33.333% * 0.2196% (0.69 1.0 0.02 0.02) = 0.220% Peak 2503 (8.08, 4.13, 54.46 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 2.98, residual support = 15.3: O HN ALA 34 - HA ALA 34 16.667% * 95.4492% (0.72 10.0 3.08 16.01) = 95.449% kept HN LEU 80 - HA ALA 34 16.667% * 4.2401% (0.78 1.0 0.82 0.11) = 4.240% kept HN ALA 34 - HA ALA 124 16.667% * 0.1447% (0.10 1.0 0.22 0.02) = 0.145% HN CYS 53 - HA ALA 34 16.667% * 0.0912% (0.69 1.0 0.02 0.02) = 0.091% HN LEU 80 - HA ALA 124 16.667% * 0.0619% (0.11 1.0 0.09 0.02) = 0.062% HN CYS 53 - HA ALA 124 16.667% * 0.0128% (0.10 1.0 0.02 0.02) = 0.013% Peak 2504 (3.87, 4.13, 54.46 ppm): 12 chemical-shift based assignments, quality = 0.64, support = 0.751, residual support = 0.932: QB SER 13 - HA ALA 34 8.333% * 40.6748% (0.72 0.85 0.58) = 40.675% kept HB THR 39 - HA ALA 34 8.333% * 33.0106% (0.75 0.67 1.72) = 33.011% kept HB3 SER 82 - HA ALA 34 8.333% * 21.4185% (0.38 0.85 0.59) = 21.419% kept HB THR 39 - HA ALA 124 8.333% * 1.6889% (0.11 0.24 0.02) = 1.689% kept HB3 SER 37 - HA ALA 34 8.333% * 1.0322% (0.78 0.02 0.02) = 1.032% kept HA ILE 89 - HA ALA 34 8.333% * 1.0322% (0.78 0.02 0.02) = 1.032% kept HB THR 118 - HA ALA 34 8.333% * 0.5665% (0.43 0.02 0.02) = 0.566% HB3 SER 37 - HA ALA 124 8.333% * 0.1453% (0.11 0.02 0.02) = 0.145% HA ILE 89 - HA ALA 124 8.333% * 0.1453% (0.11 0.02 0.02) = 0.145% QB SER 13 - HA ALA 124 8.333% * 0.1348% (0.10 0.02 0.02) = 0.135% HB THR 118 - HA ALA 124 8.333% * 0.0798% (0.06 0.02 0.02) = 0.080% HB3 SER 82 - HA ALA 124 8.333% * 0.0711% (0.05 0.02 0.02) = 0.071% Peak 2505 (4.39, 2.95, 38.12 ppm): 18 chemical-shift based assignments, quality = 0.778, support = 3.94, residual support = 44.3: O T HA ASN 35 - HB2 ASN 35 5.556% * 99.4090% (0.78 10.0 10.00 3.96 44.57) = 99.409% kept HA LEU 123 - HB2 ASN 35 5.556% * 0.1214% (0.96 1.0 1.00 0.02 0.02) = 0.121% T HA ASN 35 - HB2 ASN 28 5.556% * 0.1134% (0.09 1.0 10.00 0.02 0.21) = 0.113% HA ILE 56 - HB2 ASN 35 5.556% * 0.1061% (0.84 1.0 1.00 0.02 0.02) = 0.106% HA LYS+ 99 - HB2 ASN 35 5.556% * 0.0694% (0.55 1.0 1.00 0.02 2.09) = 0.069% HA LEU 40 - HB2 ASN 35 5.556% * 0.0477% (0.38 1.0 1.00 0.02 0.02) = 0.048% HA PRO 58 - HB2 ASN 35 5.556% * 0.0251% (0.20 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 15 - HB2 ASN 35 5.556% * 0.0209% (0.16 1.0 1.00 0.02 0.02) = 0.021% HA SER 13 - HB2 ASN 35 5.556% * 0.0209% (0.16 1.0 1.00 0.02 0.02) = 0.021% HA ASP- 113 - HB2 ASN 35 5.556% * 0.0172% (0.14 1.0 1.00 0.02 0.02) = 0.017% HA LEU 123 - HB2 ASN 28 5.556% * 0.0139% (0.11 1.0 1.00 0.02 0.02) = 0.014% HA ILE 56 - HB2 ASN 28 5.556% * 0.0121% (0.10 1.0 1.00 0.02 2.96) = 0.012% HA LYS+ 99 - HB2 ASN 28 5.556% * 0.0079% (0.06 1.0 1.00 0.02 0.35) = 0.008% HA LEU 40 - HB2 ASN 28 5.556% * 0.0054% (0.04 1.0 1.00 0.02 0.02) = 0.005% HA PRO 58 - HB2 ASN 28 5.556% * 0.0029% (0.02 1.0 1.00 0.02 0.02) = 0.003% HA GLU- 15 - HB2 ASN 28 5.556% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA SER 13 - HB2 ASN 28 5.556% * 0.0024% (0.02 1.0 1.00 0.02 0.02) = 0.002% HA ASP- 113 - HB2 ASN 28 5.556% * 0.0020% (0.02 1.0 1.00 0.02 0.02) = 0.002% Peak 2506 (8.35, 2.95, 38.12 ppm): 6 chemical-shift based assignments, quality = 0.276, support = 5.19, residual support = 43.3: O HN ASN 35 - HB2 ASN 35 16.667% * 97.0256% (0.28 10.0 5.34 44.57) = 97.026% kept HN LYS+ 99 - HB2 ASN 35 16.667% * 2.1854% (0.28 1.0 0.45 2.09) = 2.185% kept HE1 HIS 122 - HB2 ASN 28 16.667% * 0.4285% (0.02 1.0 1.09 1.07) = 0.429% HN LYS+ 99 - HB2 ASN 28 16.667% * 0.2804% (0.03 1.0 0.51 0.35) = 0.280% HE1 HIS 122 - HB2 ASN 35 16.667% * 0.0691% (0.20 1.0 0.02 0.02) = 0.069% HN ASN 35 - HB2 ASN 28 16.667% * 0.0111% (0.03 1.0 0.02 0.21) = 0.011% Peak 2508 (7.37, 2.95, 38.12 ppm): 6 chemical-shift based assignments, quality = 0.999, support = 3.35, residual support = 44.5: O HD21 ASN 35 - HB2 ASN 35 16.667% * 99.8917% (1.00 10.0 3.35 44.57) = 99.892% kept HD2 HIS 22 - HB2 ASN 35 16.667% * 0.0545% (0.55 1.0 0.02 0.02) = 0.055% HD1 TRP 49 - HB2 ASN 35 16.667% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% HD21 ASN 35 - HB2 ASN 28 16.667% * 0.0114% (0.11 1.0 0.02 0.21) = 0.011% HD2 HIS 22 - HB2 ASN 28 16.667% * 0.0062% (0.06 1.0 0.02 0.02) = 0.006% HD1 TRP 49 - HB2 ASN 28 16.667% * 0.0037% (0.04 1.0 0.02 0.02) = 0.004% Peak 2509 (3.98, 2.95, 38.12 ppm): 12 chemical-shift based assignments, quality = 0.72, support = 0.56, residual support = 0.181: HA ALA 88 - HB2 ASN 35 8.333% * 49.6763% (0.96 1.00 0.59 0.24) = 49.676% kept HA SER 48 - HB2 ASN 35 8.333% * 27.3937% (0.67 1.00 0.47 0.02) = 27.394% kept HB2 SER 82 - HB2 ASN 35 8.333% * 14.0056% (0.16 1.00 0.97 0.40) = 14.006% kept T HA LYS+ 65 - HB2 ASN 35 8.333% * 2.8980% (0.16 10.00 0.02 0.02) = 2.898% kept HA ALA 88 - HB2 ASN 28 8.333% * 1.7276% (0.11 1.00 0.18 0.02) = 1.728% kept HA GLN 32 - HB2 ASN 35 8.333% * 1.7271% (0.98 1.00 0.02 0.02) = 1.727% kept HD2 PRO 52 - HB2 ASN 35 8.333% * 1.6844% (0.96 1.00 0.02 0.02) = 1.684% kept T HA LYS+ 65 - HB2 ASN 28 8.333% * 0.3307% (0.02 10.00 0.02 0.02) = 0.331% HA GLN 32 - HB2 ASN 28 8.333% * 0.1971% (0.11 1.00 0.02 0.02) = 0.197% HD2 PRO 52 - HB2 ASN 28 8.333% * 0.1922% (0.11 1.00 0.02 0.02) = 0.192% HA SER 48 - HB2 ASN 28 8.333% * 0.1341% (0.08 1.00 0.02 0.02) = 0.134% HB2 SER 82 - HB2 ASN 28 8.333% * 0.0331% (0.02 1.00 0.02 0.02) = 0.033% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2510 (2.15, 2.86, 38.12 ppm): 5 chemical-shift based assignments, quality = 0.919, support = 3.39, residual support = 20.2: QB GLU- 36 - HB3 ASN 35 20.000% * 66.2790% (0.98 4.52 29.74) = 66.279% kept HB3 GLU- 29 - HB3 ASN 35 20.000% * 18.6894% (0.84 1.50 1.63) = 18.689% kept HB3 GLU- 79 - HB3 ASN 35 20.000% * 11.2771% (0.92 0.82 0.76) = 11.277% kept HG3 GLU- 29 - HB3 ASN 35 20.000% * 3.1160% (0.28 0.75 1.63) = 3.116% kept HB2 GLN 90 - HB3 ASN 35 20.000% * 0.6384% (0.55 0.08 0.02) = 0.638% Peak 2511 (2.15, 2.95, 38.12 ppm): 10 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 22.0: QB GLU- 36 - HB2 ASN 35 10.000% * 69.1829% (0.98 4.74 29.74) = 69.183% kept HB3 GLU- 79 - HB2 ASN 35 10.000% * 11.2218% (0.92 0.82 0.76) = 11.222% kept HB3 GLU- 29 - HB2 ASN 35 10.000% * 9.8604% (0.84 0.79 1.63) = 9.860% kept HB3 GLU- 29 - HB2 ASN 28 10.000% * 5.4522% (0.10 3.84 16.10) = 5.452% kept HG3 GLU- 29 - HB2 ASN 28 10.000% * 1.5943% (0.03 3.38 16.10) = 1.594% kept HG3 GLU- 29 - HB2 ASN 35 10.000% * 1.0098% (0.28 0.24 1.63) = 1.010% kept QB GLU- 36 - HB2 ASN 28 10.000% * 0.9937% (0.11 0.60 0.02) = 0.994% HB2 GLN 90 - HB2 ASN 35 10.000% * 0.6349% (0.55 0.08 0.02) = 0.635% HB3 GLU- 79 - HB2 ASN 28 10.000% * 0.0314% (0.11 0.02 0.02) = 0.031% HB2 GLN 90 - HB2 ASN 28 10.000% * 0.0185% (0.06 0.02 0.02) = 0.019% Peak 2512 (4.00, 2.86, 38.12 ppm): 9 chemical-shift based assignments, quality = 0.842, support = 0.987, residual support = 1.09: HA GLU- 29 - HB3 ASN 35 11.111% * 32.3166% (0.98 1.33 1.63) = 32.317% kept HA LYS+ 33 - HB3 ASN 35 11.111% * 21.5898% (0.84 1.04 2.13) = 21.590% kept HB2 SER 82 - HB3 ASN 35 11.111% * 21.2893% (1.00 0.86 0.40) = 21.289% kept HA SER 48 - HB3 ASN 35 11.111% * 9.0424% (0.55 0.67 0.02) = 9.042% kept HA VAL 18 - HB3 ASN 35 11.111% * 6.5838% (1.00 0.27 0.02) = 6.584% kept HA ALA 88 - HB3 ASN 35 11.111% * 5.6410% (0.24 0.97 0.24) = 5.641% kept HA GLN 32 - HB3 ASN 35 11.111% * 2.6410% (0.20 0.54 0.02) = 2.641% kept HA VAL 70 - HB3 ASN 35 11.111% * 0.7104% (0.38 0.08 0.02) = 0.710% HA GLN 116 - HB3 ASN 35 11.111% * 0.1857% (0.38 0.02 0.02) = 0.186% Peak 2513 (4.39, 2.86, 38.12 ppm): 9 chemical-shift based assignments, quality = 0.779, support = 3.66, residual support = 44.4: O HA ASN 35 - HB3 ASN 35 11.111% * 99.5707% (0.78 10.0 3.67 44.57) = 99.571% kept HA LEU 123 - HB3 ASN 35 11.111% * 0.1216% (0.96 1.0 0.02 0.02) = 0.122% HA ILE 56 - HB3 ASN 35 11.111% * 0.1063% (0.84 1.0 0.02 0.02) = 0.106% HA LYS+ 99 - HB3 ASN 35 11.111% * 0.0695% (0.55 1.0 0.02 2.09) = 0.069% HA LEU 40 - HB3 ASN 35 11.111% * 0.0477% (0.38 1.0 0.02 0.02) = 0.048% HA PRO 58 - HB3 ASN 35 11.111% * 0.0252% (0.20 1.0 0.02 0.02) = 0.025% HA SER 13 - HB3 ASN 35 11.111% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA GLU- 15 - HB3 ASN 35 11.111% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% HA ASP- 113 - HB3 ASN 35 11.111% * 0.0172% (0.14 1.0 0.02 0.02) = 0.017% Peak 2514 (7.37, 2.86, 38.12 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.13, residual support = 44.5: O HD21 ASN 35 - HB3 ASN 35 33.333% * 99.9130% (1.00 10.0 3.13 44.57) = 99.913% kept HD2 HIS 22 - HB3 ASN 35 33.333% * 0.0546% (0.55 1.0 0.02 0.02) = 0.055% HD1 TRP 49 - HB3 ASN 35 33.333% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% Peak 2515 (7.76, 2.86, 38.12 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 4.34, residual support = 21.7: HN GLU- 36 - HB3 ASN 35 25.000% * 72.4603% (0.92 5.64 29.74) = 72.460% kept HD1 TRP 87 - HB3 ASN 35 25.000% * 11.2529% (0.84 0.97 0.58) = 11.253% kept HN LYS+ 102 - HB3 ASN 35 25.000% * 9.8227% (0.67 1.06 0.48) = 9.823% kept HN THR 39 - HB3 ASN 35 25.000% * 6.4641% (0.78 0.59 0.17) = 6.464% kept Peak 2516 (8.37, 2.86, 38.12 ppm): 2 chemical-shift based assignments, quality = 0.921, support = 5.14, residual support = 44.0: O HN ASN 35 - HB3 ASN 35 50.000% * 98.7715% (0.92 10.0 5.20 44.57) = 98.772% kept HN ALA 12 - HB3 ASN 35 50.000% * 1.2285% (0.73 1.0 0.32 0.02) = 1.228% kept Peak 2517 (6.53, 2.86, 38.12 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 3.13, residual support = 44.6: O HD22 ASN 35 - HB3 ASN 35 100.000% *100.0000% (0.98 10.0 3.13 44.57) = 100.000% kept Peak 2518 (7.77, 2.95, 38.12 ppm): 8 chemical-shift based assignments, quality = 0.816, support = 4.48, residual support = 22.7: HN GLU- 36 - HB2 ASN 35 12.500% * 75.9386% (0.84 5.58 29.74) = 75.939% kept HN LYS+ 102 - HB2 ASN 35 12.500% * 16.1247% (1.00 0.99 0.48) = 16.125% kept HD1 TRP 87 - HB2 ASN 35 12.500% * 5.5684% (0.28 1.23 0.58) = 5.568% kept HN THR 39 - HB2 ASN 35 12.500% * 2.2811% (0.24 0.59 0.17) = 2.281% kept HN LYS+ 102 - HB2 ASN 28 12.500% * 0.0370% (0.11 0.02 0.02) = 0.037% HN GLU- 36 - HB2 ASN 28 12.500% * 0.0311% (0.10 0.02 0.02) = 0.031% HD1 TRP 87 - HB2 ASN 28 12.500% * 0.0103% (0.03 0.02 0.14) = 0.010% HN THR 39 - HB2 ASN 28 12.500% * 0.0088% (0.03 0.02 0.02) = 0.009% Peak 2519 (4.09, 2.15, 30.04 ppm): 6 chemical-shift based assignments, quality = 0.635, support = 4.76, residual support = 57.7: O T HA GLU- 36 - QB GLU- 36 16.667% * 93.5420% (0.67 10.0 10.00 5.05 61.63) = 93.542% kept T HA GLU- 36 - HB3 GLU- 29 16.667% * 6.3304% (0.17 1.0 10.00 0.52 0.11) = 6.330% kept HA LYS+ 81 - QB GLU- 36 16.667% * 0.0683% (0.49 1.0 1.00 0.02 0.02) = 0.068% HA LYS+ 66 - QB GLU- 36 16.667% * 0.0331% (0.24 1.0 1.00 0.02 0.02) = 0.033% HA LYS+ 81 - HB3 GLU- 29 16.667% * 0.0177% (0.13 1.0 1.00 0.02 0.02) = 0.018% HA LYS+ 66 - HB3 GLU- 29 16.667% * 0.0086% (0.06 1.0 1.00 0.02 0.02) = 0.009% Peak 2520 (7.93, 2.15, 30.04 ppm): 8 chemical-shift based assignments, quality = 0.231, support = 2.84, residual support = 6.17: HN SER 37 - QB GLU- 36 12.500% * 74.7912% (0.16 3.69 7.94) = 74.791% kept HN ILE 89 - QB GLU- 36 12.500% * 19.7420% (0.38 0.43 1.16) = 19.742% kept HN CYS 21 - QB GLU- 36 12.500% * 2.2763% (0.92 0.02 0.02) = 2.276% kept HN ILE 119 - QB GLU- 36 12.500% * 1.7906% (0.73 0.02 0.02) = 1.791% kept HN CYS 21 - HB3 GLU- 29 12.500% * 0.5903% (0.24 0.02 0.02) = 0.590% HN ILE 119 - HB3 GLU- 29 12.500% * 0.4644% (0.19 0.02 0.02) = 0.464% HN ILE 89 - HB3 GLU- 29 12.500% * 0.2400% (0.10 0.02 0.02) = 0.240% HN SER 37 - HB3 GLU- 29 12.500% * 0.1052% (0.04 0.02 0.02) = 0.105% Peak 2521 (7.77, 2.15, 30.04 ppm): 4 chemical-shift based assignments, quality = 0.473, support = 5.56, residual support = 51.3: O HN GLU- 36 - QB GLU- 36 25.000% * 82.5470% (0.43 10.0 6.26 61.63) = 82.547% kept HN LYS+ 102 - QB GLU- 36 25.000% * 16.0804% (0.73 1.0 2.30 2.74) = 16.080% kept HN GLU- 36 - HB3 GLU- 29 25.000% * 1.3365% (0.11 1.0 1.25 0.11) = 1.336% kept HN LYS+ 102 - HB3 GLU- 29 25.000% * 0.0362% (0.19 1.0 0.02 0.02) = 0.036% Peak 2522 (7.78, 2.46, 36.40 ppm): 2 chemical-shift based assignments, quality = 0.271, support = 1.2, residual support = 1.74: HN ASP- 105 - HG2 GLU- 36 50.000% * 50.4437% (0.38 0.74 0.75) = 50.444% kept HN LYS+ 102 - HG2 GLU- 36 50.000% * 49.5563% (0.16 1.67 2.74) = 49.556% kept Peak 2523 (7.77, 2.31, 36.40 ppm): 2 chemical-shift based assignments, quality = 0.552, support = 3.2, residual support = 37.4: HN GLU- 36 - HG3 GLU- 36 50.000% * 58.8588% (0.43 4.22 61.63) = 58.859% kept HN LYS+ 102 - HG3 GLU- 36 50.000% * 41.1412% (0.73 1.74 2.74) = 41.141% kept Peak 2524 (7.78, 4.10, 58.69 ppm): 2 chemical-shift based assignments, quality = 0.267, support = 1.3, residual support = 1.78: HN LYS+ 102 - HA GLU- 36 50.000% * 51.4560% (0.16 1.81 2.74) = 51.456% kept HN ASP- 105 - HA GLU- 36 50.000% * 48.5440% (0.38 0.75 0.75) = 48.544% kept Peak 2525 (7.91, 4.03, 64.19 ppm): 4 chemical-shift based assignments, quality = 0.937, support = 2.8, residual support = 23.1: O HN SER 37 - HB2 SER 37 25.000% * 94.8497% (0.96 10.0 2.90 24.23) = 94.850% kept HN ILE 119 - HB2 SER 37 25.000% * 4.1607% (0.73 1.0 1.16 1.95) = 4.161% kept HN ILE 89 - HB2 SER 37 25.000% * 0.9762% (0.98 1.0 0.20 0.02) = 0.976% HN CYS 21 - HB2 SER 37 25.000% * 0.0134% (0.14 1.0 0.02 0.02) = 0.013% Peak 2526 (8.29, 3.88, 64.19 ppm): 6 chemical-shift based assignments, quality = 0.443, support = 0.12, residual support = 0.02: HN GLU- 29 - HB3 SER 37 16.667% * 47.6221% (0.64 0.13 0.02) = 47.622% kept HN ASP- 86 - HB3 SER 37 16.667% * 23.0057% (0.25 0.16 0.02) = 23.006% kept HN GLU- 29 - QB SER 13 16.667% * 17.0479% (0.35 0.08 0.02) = 17.048% kept HN GLN 30 - HB3 SER 37 16.667% * 9.4878% (0.19 0.09 0.02) = 9.488% kept HN ASP- 86 - QB SER 13 16.667% * 1.6294% (0.14 0.02 0.02) = 1.629% kept HN GLN 30 - QB SER 13 16.667% * 1.2071% (0.10 0.02 0.02) = 1.207% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2527 (7.88, 3.78, 58.04 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 6.07, residual support = 195.2: O HN LYS+ 38 - HA LYS+ 38 50.000% * 99.9763% (0.84 10.0 6.07 195.26) = 99.976% kept HN ARG+ 54 - HA LYS+ 38 50.000% * 0.0237% (0.20 1.0 0.02 0.02) = 0.024% Peak 2528 (7.75, 3.78, 58.04 ppm): 4 chemical-shift based assignments, quality = 0.839, support = 5.55, residual support = 26.1: O HN THR 39 - HA LYS+ 38 25.000% * 91.4526% (0.84 10.0 5.99 28.42) = 91.453% kept HD1 TRP 87 - HA LYS+ 38 25.000% * 4.6730% (0.88 1.0 0.97 1.42) = 4.673% kept HN GLU- 36 - HA LYS+ 38 25.000% * 3.8080% (0.88 1.0 0.79 1.25) = 3.808% kept HN LYS+ 102 - HA LYS+ 38 25.000% * 0.0664% (0.61 1.0 0.02 0.66) = 0.066% Peak 2529 (7.91, 2.18, 29.57 ppm): 3 chemical-shift based assignments, quality = 0.988, support = 4.63, residual support = 8.24: HN SER 37 - HB2 LYS+ 38 33.333% * 99.3443% (1.00 4.66 8.29) = 99.344% kept HN ILE 89 - HB2 LYS+ 38 33.333% * 0.3957% (0.92 0.02 0.02) = 0.396% HN ILE 119 - HB2 LYS+ 38 33.333% * 0.2600% (0.61 0.02 0.02) = 0.260% Peak 2530 (7.77, 2.18, 29.57 ppm): 4 chemical-shift based assignments, quality = 0.357, support = 3.62, residual support = 15.6: HN THR 39 - HB2 LYS+ 38 25.000% * 52.6724% (0.16 5.99 28.42) = 52.672% kept HN GLU- 36 - HB2 LYS+ 38 25.000% * 31.9743% (0.73 0.82 1.25) = 31.974% kept HD1 TRP 87 - HB2 LYS+ 38 25.000% * 14.3317% (0.20 1.36 1.42) = 14.332% kept HN LYS+ 102 - HB2 LYS+ 38 25.000% * 1.0215% (0.96 0.02 0.66) = 1.022% kept Peak 2531 (7.89, 1.32, 25.69 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 5.44, residual support = 195.1: HN LYS+ 38 - HG2 LYS+ 38 50.000% * 99.9025% (0.61 5.45 195.26) = 99.902% kept HN LYS+ 38 - HG2 LYS+ 99 50.000% * 0.0975% (0.16 0.02 0.60) = 0.098% Peak 2532 (7.89, 1.26, 25.69 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.65, residual support = 195.3: HN LYS+ 38 - HG3 LYS+ 38 100.000% *100.0000% (0.61 5.65 195.26) = 100.000% kept Peak 2533 (7.75, 4.27, 62.55 ppm): 8 chemical-shift based assignments, quality = 0.9, support = 3.24, residual support = 24.6: O HN THR 39 - HA THR 39 12.500% * 95.0374% (0.92 10.0 3.34 25.58) = 95.037% kept HD1 TRP 87 - HA THR 39 12.500% * 2.1197% (0.96 1.0 0.43 0.02) = 2.120% kept HN LYS+ 102 - HA ILE 103 12.500% * 1.8758% (0.11 1.0 3.38 17.31) = 1.876% kept HN GLU- 36 - HA THR 39 12.500% * 0.8564% (0.78 1.0 0.21 1.06) = 0.856% HN LYS+ 102 - HA THR 39 12.500% * 0.0501% (0.49 1.0 0.02 0.02) = 0.050% HD1 TRP 87 - HA ILE 103 12.500% * 0.0218% (0.21 1.0 0.02 2.06) = 0.022% HN THR 39 - HA ILE 103 12.500% * 0.0210% (0.20 1.0 0.02 0.02) = 0.021% HN GLU- 36 - HA ILE 103 12.500% * 0.0178% (0.17 1.0 0.02 0.02) = 0.018% Peak 2534 (8.87, 4.27, 62.55 ppm): 4 chemical-shift based assignments, quality = 0.278, support = 3.95, residual support = 15.5: O HN LEU 40 - HA THR 39 25.000% * 99.8355% (0.28 10.0 3.96 15.54) = 99.836% kept HN GLY 101 - HA THR 39 25.000% * 0.1166% (0.32 1.0 0.02 0.02) = 0.117% HN GLY 101 - HA ILE 103 25.000% * 0.0258% (0.07 1.0 0.02 0.02) = 0.026% HN LEU 40 - HA ILE 103 25.000% * 0.0221% (0.06 1.0 0.02 0.02) = 0.022% Peak 2535 (7.75, 3.86, 70.88 ppm): 4 chemical-shift based assignments, quality = 0.915, support = 3.08, residual support = 24.8: O HN THR 39 - HB THR 39 25.000% * 96.9141% (0.92 10.0 3.17 25.58) = 96.914% kept HD1 TRP 87 - HB THR 39 25.000% * 2.1615% (0.96 1.0 0.43 0.02) = 2.162% kept HN GLU- 36 - HB THR 39 25.000% * 0.8733% (0.78 1.0 0.21 1.06) = 0.873% HN LYS+ 102 - HB THR 39 25.000% * 0.0511% (0.49 1.0 0.02 0.02) = 0.051% Peak 2536 (8.88, 3.86, 70.88 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.75, residual support = 15.5: HN LEU 40 - HB THR 39 100.000% *100.0000% (0.96 3.75 15.54) = 100.000% kept Peak 2539 (8.16, 1.26, 21.81 ppm): 12 chemical-shift based assignments, quality = 0.375, support = 0.02, residual support = 0.02: HN GLU- 114 - QG2 THR 39 8.333% * 23.5105% (0.69 0.02 0.02) = 23.510% kept HN GLN 116 - QG2 THR 39 8.333% * 16.4027% (0.48 0.02 0.02) = 16.403% kept HN GLU- 114 - QB ALA 91 8.333% * 11.1021% (0.33 0.02 0.02) = 11.102% kept HN LEU 71 - QG2 THR 39 8.333% * 10.5639% (0.31 0.02 0.02) = 10.564% kept HN GLN 116 - QB ALA 91 8.333% * 7.7457% (0.23 0.02 0.02) = 7.746% kept HN THR 118 - QG2 THR 39 8.333% * 6.8377% (0.20 0.02 0.02) = 6.838% kept HN GLU- 114 - QG2 THR 23 8.333% * 6.4074% (0.19 0.02 0.02) = 6.407% kept HN LEU 71 - QB ALA 91 8.333% * 4.9885% (0.15 0.02 0.02) = 4.988% kept HN GLN 116 - QG2 THR 23 8.333% * 4.4703% (0.13 0.02 0.02) = 4.470% kept HN THR 118 - QB ALA 91 8.333% * 3.2289% (0.10 0.02 0.02) = 3.229% kept HN LEU 71 - QG2 THR 23 8.333% * 2.8790% (0.09 0.02 0.02) = 2.879% kept HN THR 118 - QG2 THR 23 8.333% * 1.8635% (0.06 0.02 0.02) = 1.863% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2540 (8.89, 1.26, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.386, support = 3.41, residual support = 15.0: HN LEU 40 - QG2 THR 39 33.333% * 96.4140% (0.40 3.52 15.54) = 96.414% kept HN LEU 40 - QG2 THR 23 33.333% * 3.3277% (0.11 0.45 0.14) = 3.328% kept HN LEU 40 - QB ALA 91 33.333% * 0.2583% (0.19 0.02 0.02) = 0.258% Peak 2541 (7.74, 1.25, 21.56 ppm): 10 chemical-shift based assignments, quality = 0.347, support = 3.18, residual support = 13.4: O HN ALA 91 - QB ALA 91 10.000% * 75.1521% (0.32 10.0 3.52 13.61) = 75.152% kept HN THR 39 - QG2 THR 39 10.000% * 12.4677% (0.29 1.0 3.76 25.58) = 12.468% kept HN TRP 27 - QB ALA 91 10.000% * 6.1966% (0.84 1.0 0.64 0.02) = 6.197% kept HD1 TRP 87 - QG2 THR 39 10.000% * 2.7095% (0.26 1.0 0.91 0.02) = 2.710% kept HD1 TRP 87 - QB ALA 91 10.000% * 1.6168% (0.55 1.0 0.26 0.02) = 1.617% kept HN TRP 27 - QG2 THR 39 10.000% * 0.9727% (0.39 1.0 0.21 0.02) = 0.973% HN ALA 61 - QB ALA 91 10.000% * 0.5806% (0.24 1.0 0.21 0.02) = 0.581% HN THR 39 - QB ALA 91 10.000% * 0.1404% (0.61 1.0 0.02 0.02) = 0.140% HN ALA 91 - QG2 THR 39 10.000% * 0.1378% (0.15 1.0 0.08 0.02) = 0.138% HN ALA 61 - QG2 THR 39 10.000% * 0.0258% (0.11 1.0 0.02 0.11) = 0.026% Peak 2542 (8.47, 1.25, 21.56 ppm): 8 chemical-shift based assignments, quality = 0.711, support = 2.83, residual support = 9.75: HN MET 92 - QB ALA 91 12.500% * 83.5502% (0.73 3.30 11.67) = 83.550% kept HN LYS+ 74 - QB ALA 91 12.500% * 13.0920% (0.73 0.52 0.02) = 13.092% kept HN THR 46 - QG2 THR 39 12.500% * 1.9718% (0.45 0.13 0.02) = 1.972% kept HN THR 46 - QB ALA 91 12.500% * 0.6663% (0.96 0.02 0.02) = 0.666% HN MET 92 - QG2 THR 39 12.500% * 0.2390% (0.34 0.02 0.02) = 0.239% HN LYS+ 74 - QG2 THR 39 12.500% * 0.2390% (0.34 0.02 0.02) = 0.239% HN MET 11 - QB ALA 91 12.500% * 0.1643% (0.24 0.02 0.02) = 0.164% HN MET 11 - QG2 THR 39 12.500% * 0.0776% (0.11 0.02 0.02) = 0.078% Peak 2543 (4.39, 0.98, 24.07 ppm): 9 chemical-shift based assignments, quality = 0.61, support = 3.24, residual support = 24.9: HA LYS+ 99 - QD2 LEU 40 11.111% * 35.5633% (0.61 3.24 5.03) = 35.563% kept HA LEU 40 - QD2 LEU 40 11.111% * 32.8187% (0.32 5.59 70.17) = 32.819% kept HA LEU 123 - QD2 LEU 40 11.111% * 19.0620% (0.98 1.08 0.34) = 19.062% kept HA ILE 56 - QD2 LEU 40 11.111% * 7.2425% (0.88 0.45 0.82) = 7.242% kept HA ASN 35 - QD2 LEU 40 11.111% * 4.3919% (0.84 0.29 0.02) = 4.392% kept HA ASP- 113 - QD2 LEU 40 11.111% * 0.5189% (0.16 0.17 0.02) = 0.519% HA PRO 58 - QD2 LEU 40 11.111% * 0.3048% (0.16 0.10 0.02) = 0.305% HA SER 13 - QD2 LEU 40 11.111% * 0.0489% (0.14 0.02 0.02) = 0.049% HA GLU- 15 - QD2 LEU 40 11.111% * 0.0489% (0.14 0.02 0.02) = 0.049% Peak 2544 (4.40, 0.91, 26.66 ppm): 7 chemical-shift based assignments, quality = 0.893, support = 3.88, residual support = 60.5: HA LEU 40 - QD1 LEU 40 14.286% * 86.1555% (0.98 4.37 70.17) = 86.156% kept HA LEU 123 - QD1 LEU 40 14.286% * 8.4052% (0.32 1.29 0.34) = 8.405% kept HA PRO 58 - QD1 LEU 40 14.286% * 2.1068% (0.84 0.13 0.02) = 2.107% kept HA ILE 56 - QD1 LEU 40 14.286% * 1.7634% (0.20 0.44 0.82) = 1.763% kept HA ASN 35 - QD1 LEU 40 14.286% * 0.9390% (0.16 0.28 0.02) = 0.939% HA GLU- 15 - QD1 LEU 40 14.286% * 0.3150% (0.78 0.02 0.02) = 0.315% HA SER 13 - QD1 LEU 40 14.286% * 0.3150% (0.78 0.02 0.02) = 0.315% Peak 2545 (2.77, 0.91, 26.66 ppm): 2 chemical-shift based assignments, quality = 0.658, support = 0.02, residual support = 0.02: HB3 ASP- 78 - QD1 LEU 40 50.000% * 64.5656% (0.78 0.02 0.02) = 64.566% kept HB3 HIS 122 - QD1 LEU 40 50.000% * 35.4344% (0.43 0.02 0.02) = 35.434% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2546 (7.18, 0.91, 26.66 ppm): 4 chemical-shift based assignments, quality = 0.826, support = 0.453, residual support = 0.222: HE21 GLN 30 - QD1 LEU 40 25.000% * 31.3561% (1.00 0.44 0.27) = 31.356% kept QD PHE 59 - QD1 LEU 40 25.000% * 28.0132% (0.67 0.59 0.29) = 28.013% kept HH2 TRP 49 - QD1 LEU 40 25.000% * 25.1954% (0.88 0.40 0.21) = 25.195% kept HD1 TRP 27 - QD1 LEU 40 25.000% * 15.4353% (0.67 0.32 0.02) = 15.435% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2547 (7.18, 0.98, 24.07 ppm): 4 chemical-shift based assignments, quality = 0.817, support = 0.47, residual support = 0.226: QD PHE 59 - QD2 LEU 40 25.000% * 31.9202% (0.67 0.67 0.29) = 31.920% kept HE21 GLN 30 - QD2 LEU 40 25.000% * 29.6543% (1.00 0.41 0.27) = 29.654% kept HH2 TRP 49 - QD2 LEU 40 25.000% * 23.8279% (0.88 0.38 0.21) = 23.828% kept HD1 TRP 27 - QD2 LEU 40 25.000% * 14.5976% (0.67 0.31 0.02) = 14.598% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2548 (9.01, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 2.44, residual support = 8.23: HN VAL 41 - QD2 LEU 40 100.000% *100.0000% (0.49 2.44 8.23) = 100.000% kept Peak 2549 (9.69, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.47, residual support = 5.83: HN LEU 98 - QD2 LEU 40 100.000% *100.0000% (0.92 3.47 5.83) = 100.000% kept Peak 2550 (8.88, 1.48, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.23, residual support = 70.2: O HN LEU 40 - HB3 LEU 40 100.000% *100.0000% (0.96 10.0 4.23 70.17) = 100.000% kept Peak 2551 (8.89, 1.94, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 4.02, residual support = 70.2: O HN LEU 40 - HB2 LEU 40 100.000% *100.0000% (0.55 10.0 4.02 70.17) = 100.000% kept Peak 2552 (0.17, 1.94, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 3.0, residual support = 20.9: QG2 VAL 70 - HB2 LEU 40 100.000% *100.0000% (0.61 3.00 20.88) = 100.000% kept Peak 2553 (0.18, 1.48, 42.31 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.0, residual support = 20.9: QG2 VAL 70 - HB3 LEU 40 100.000% *100.0000% (0.96 3.00 20.88) = 100.000% kept Peak 2554 (4.37, 1.46, 26.98 ppm): 15 chemical-shift based assignments, quality = 0.624, support = 0.45, residual support = 1.63: HA LYS+ 99 - HG LEU 40 6.667% * 26.7799% (0.96 0.41 5.03) = 26.780% kept HA ILE 56 - HG LEU 40 6.667% * 23.1325% (0.73 0.46 0.82) = 23.133% kept HA LEU 123 - HG LEU 40 6.667% * 22.3838% (0.55 0.60 0.34) = 22.384% kept HA ASP- 113 - HG LEU 115 6.667% * 9.4647% (0.26 0.53 0.02) = 9.465% kept HA LYS+ 99 - HG LEU 115 6.667% * 6.1873% (0.30 0.30 0.02) = 6.187% kept HA ASN 35 - HG LEU 115 6.667% * 4.1915% (0.24 0.25 0.02) = 4.191% kept HA ILE 56 - HG LEU 73 6.667% * 3.1181% (0.08 0.54 0.36) = 3.118% kept HA ILE 56 - HG LEU 115 6.667% * 1.7939% (0.23 0.12 0.02) = 1.794% kept HA ASP- 113 - HG LEU 40 6.667% * 1.1449% (0.84 0.02 0.02) = 1.145% kept HA ASN 35 - HG LEU 40 6.667% * 1.0728% (0.78 0.02 0.02) = 1.073% kept HA LEU 123 - HG LEU 115 6.667% * 0.2320% (0.17 0.02 0.02) = 0.232% HA LYS+ 99 - HG LEU 73 6.667% * 0.1528% (0.11 0.02 0.02) = 0.153% HA ASP- 113 - HG LEU 73 6.667% * 0.1335% (0.10 0.02 0.02) = 0.133% HA ASN 35 - HG LEU 73 6.667% * 0.1251% (0.09 0.02 0.02) = 0.125% HA LEU 123 - HG LEU 73 6.667% * 0.0873% (0.06 0.02 0.02) = 0.087% Peak 2556 (0.18, 1.46, 26.98 ppm): 3 chemical-shift based assignments, quality = 0.844, support = 3.07, residual support = 18.1: T QG2 VAL 70 - HG LEU 40 33.333% * 85.8495% (0.96 10.00 3.33 20.88) = 85.849% kept T QG2 VAL 70 - HG LEU 73 33.333% * 10.0090% (0.11 10.00 2.05 1.57) = 10.009% kept T QG2 VAL 70 - HG LEU 115 33.333% * 4.1415% (0.30 10.00 0.31 0.02) = 4.142% kept Peak 2557 (0.17, 0.91, 26.66 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.49, residual support = 20.9: QG2 VAL 70 - QD1 LEU 40 100.000% *100.0000% (0.61 2.49 20.88) = 100.000% kept Peak 2558 (0.20, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 3.41, residual support = 20.9: QG2 VAL 70 - QD2 LEU 40 100.000% *100.0000% (0.24 3.41 20.88) = 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): 6 chemical-shift based assignments, quality = 0.69, support = 3.78, residual support = 59.1: O HB3 LEU 40 - QD2 LEU 40 16.667% * 56.9659% (0.78 10.0 1.00 5.05 70.17) = 56.966% kept O T HG LEU 40 - QD2 LEU 40 16.667% * 27.3155% (0.38 10.0 10.00 3.09 70.17) = 27.315% kept T HG LEU 115 - QD2 LEU 40 16.667% * 13.5702% (1.00 1.0 10.00 0.37 0.02) = 13.570% kept HG LEU 67 - QD2 LEU 40 16.667% * 1.1928% (0.55 1.0 1.00 0.60 0.02) = 1.193% kept QB ALA 120 - QD2 LEU 40 16.667% * 0.9282% (1.00 1.0 1.00 0.26 0.02) = 0.928% HB3 LEU 115 - QD2 LEU 40 16.667% * 0.0273% (0.38 1.0 1.00 0.02 0.02) = 0.027% Peak 2561 (1.75, 0.98, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 0.02, residual support = 0.02: HB ILE 89 - QD2 LEU 40 100.000% *100.0000% (0.32 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2562 (3.47, 0.98, 24.07 ppm): 2 chemical-shift based assignments, quality = 0.259, support = 0.02, residual support = 0.02: HA LYS+ 112 - QD2 LEU 40 50.000% * 54.1157% (0.28 0.02 0.02) = 54.116% kept HB2 HIS 22 - QD2 LEU 40 50.000% * 45.8843% (0.24 0.02 0.02) = 45.884% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2563 (3.02, 0.98, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.445, support = 2.5, residual support = 4.88: QE LYS+ 99 - QD2 LEU 40 33.333% * 96.7989% (0.43 2.58 5.03) = 96.799% kept QE LYS+ 102 - QD2 LEU 40 33.333% * 1.7442% (1.00 0.02 0.02) = 1.744% kept QE LYS+ 38 - QD2 LEU 40 33.333% * 1.4569% (0.84 0.02 0.27) = 1.457% kept Peak 2564 (2.37, 0.98, 24.07 ppm): 4 chemical-shift based assignments, quality = 0.8, support = 0.992, residual support = 0.705: HB3 PHE 97 - QD2 LEU 40 25.000% * 54.6809% (0.67 1.32 1.09) = 54.681% kept HB2 GLU- 100 - QD2 LEU 40 25.000% * 40.2365% (0.98 0.66 0.26) = 40.237% kept HB2 GLN 116 - QD2 LEU 40 25.000% * 4.6163% (0.88 0.08 0.02) = 4.616% kept QG GLU- 79 - QD2 LEU 40 25.000% * 0.4662% (0.38 0.02 0.02) = 0.466% Peak 2565 (1.95, 0.91, 26.66 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 3.43, residual support = 70.0: O T HB2 LEU 40 - QD1 LEU 40 25.000% * 99.7862% (0.67 10.0 10.00 3.44 70.17) = 99.786% kept HB3 ARG+ 54 - QD1 LEU 40 25.000% * 0.1250% (0.84 1.0 1.00 0.02 0.02) = 0.125% HB VAL 18 - QD1 LEU 40 25.000% * 0.0643% (0.43 1.0 1.00 0.02 0.02) = 0.064% HB3 MET 96 - QD1 LEU 40 25.000% * 0.0246% (0.16 1.0 1.00 0.02 0.55) = 0.025% Peak 2566 (1.96, 0.98, 24.07 ppm): 5 chemical-shift based assignments, quality = 0.736, support = 0.0277, residual support = 0.02: T HB2 LEU 67 - QD2 LEU 40 20.000% * 72.0765% (0.78 10.00 0.02 0.02) = 72.076% kept HG3 PRO 58 - QD2 LEU 40 20.000% * 9.3363% (0.20 1.00 0.10 0.02) = 9.336% kept HB VAL 18 - QD2 LEU 40 20.000% * 9.2086% (1.00 1.00 0.02 0.02) = 9.209% kept HB3 ARG+ 54 - QD2 LEU 40 20.000% * 7.2076% (0.78 1.00 0.02 0.02) = 7.208% kept HB2 LEU 115 - QD2 LEU 40 20.000% * 2.1709% (0.24 1.00 0.02 0.02) = 2.171% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2567 (1.47, 0.91, 26.66 ppm): 6 chemical-shift based assignments, quality = 0.646, support = 3.57, residual support = 69.7: O T HB3 LEU 40 - QD1 LEU 40 16.667% * 67.1364% (0.78 10.0 10.00 3.52 70.17) = 67.136% kept O HG LEU 40 - QD1 LEU 40 16.667% * 32.1923% (0.38 10.0 1.00 3.77 70.17) = 32.192% kept T HG LEU 67 - QD1 LEU 40 16.667% * 0.4684% (0.55 1.0 10.00 0.02 0.02) = 0.468% QB ALA 120 - QD1 LEU 40 16.667% * 0.0853% (1.00 1.0 1.00 0.02 0.02) = 0.085% HG LEU 115 - QD1 LEU 40 16.667% * 0.0853% (1.00 1.0 1.00 0.02 0.02) = 0.085% HB3 LEU 115 - QD1 LEU 40 16.667% * 0.0322% (0.38 1.0 1.00 0.02 0.02) = 0.032% Peak 2568 (0.91, 1.94, 42.31 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.43, residual support = 70.1: O T QD1 LEU 40 - HB2 LEU 40 50.000% * 99.9218% (1.00 10.0 10.00 3.44 70.17) = 99.922% kept QD2 LEU 67 - HB2 LEU 40 50.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% Peak 2569 (0.91, 1.48, 42.31 ppm): 2 chemical-shift based assignments, quality = 0.999, support = 3.51, residual support = 70.1: O T QD1 LEU 40 - HB3 LEU 40 50.000% * 99.9218% (1.00 10.0 10.00 3.52 70.17) = 99.922% kept QD2 LEU 67 - HB3 LEU 40 50.000% * 0.0782% (0.78 1.0 1.00 0.02 0.02) = 0.078% Peak 2570 (0.99, 1.46, 26.98 ppm): 15 chemical-shift based assignments, quality = 0.678, support = 2.62, residual support = 57.9: O T QD2 LEU 40 - HG LEU 40 6.667% * 82.5673% (0.73 10.0 10.00 3.09 70.17) = 82.567% kept T QD1 LEU 67 - HG LEU 40 6.667% * 9.4534% (0.67 1.0 10.00 0.25 0.02) = 9.453% kept T QD1 LEU 67 - HG LEU 115 6.667% * 7.3526% (0.21 1.0 10.00 0.63 0.02) = 7.353% kept T QD2 LEU 40 - HG LEU 115 6.667% * 0.2559% (0.23 1.0 10.00 0.02 0.02) = 0.256% T HG3 LYS+ 74 - HG LEU 115 6.667% * 0.1144% (0.10 1.0 10.00 0.02 0.02) = 0.114% HB VAL 75 - HG LEU 40 6.667% * 0.0826% (0.73 1.0 1.00 0.02 0.02) = 0.083% QG2 ILE 103 - HG LEU 40 6.667% * 0.0553% (0.49 1.0 1.00 0.02 0.02) = 0.055% HG3 LYS+ 74 - HG LEU 40 6.667% * 0.0369% (0.32 1.0 1.00 0.02 0.02) = 0.037% HB VAL 75 - HG LEU 115 6.667% * 0.0256% (0.23 1.0 1.00 0.02 0.02) = 0.026% QG2 ILE 103 - HG LEU 115 6.667% * 0.0172% (0.15 1.0 1.00 0.02 0.02) = 0.017% HB VAL 75 - HG LEU 73 6.667% * 0.0096% (0.08 1.0 1.00 0.02 0.29) = 0.010% QD2 LEU 40 - HG LEU 73 6.667% * 0.0096% (0.08 1.0 1.00 0.02 0.02) = 0.010% QD1 LEU 67 - HG LEU 73 6.667% * 0.0088% (0.08 1.0 1.00 0.02 0.02) = 0.009% QG2 ILE 103 - HG LEU 73 6.667% * 0.0065% (0.06 1.0 1.00 0.02 0.02) = 0.006% HG3 LYS+ 74 - HG LEU 73 6.667% * 0.0043% (0.04 1.0 1.00 0.02 15.04) = 0.004% Peak 2571 (0.56, 0.76, 22.78 ppm): 8 chemical-shift based assignments, quality = 0.714, support = 3.31, residual support = 52.6: O T QG2 VAL 41 - QG1 VAL 41 12.500% * 94.4504% (0.73 10.0 10.00 3.49 55.52) = 94.450% kept T QG2 VAL 41 - QG2 VAL 18 12.500% * 2.0453% (0.40 1.0 10.00 0.08 0.02) = 2.045% kept QD2 LEU 98 - QG1 VAL 41 12.500% * 1.7841% (0.43 1.0 1.00 0.64 11.13) = 1.784% kept QD2 LEU 63 - QG1 VAL 41 12.500% * 1.5477% (0.78 1.0 1.00 0.30 0.02) = 1.548% kept QD1 LEU 80 - QG1 VAL 41 12.500% * 0.0559% (0.43 1.0 1.00 0.02 0.25) = 0.056% QD2 LEU 63 - QG2 VAL 18 12.500% * 0.0556% (0.43 1.0 1.00 0.02 0.02) = 0.056% QD2 LEU 98 - QG2 VAL 18 12.500% * 0.0305% (0.23 1.0 1.00 0.02 0.02) = 0.031% QD1 LEU 80 - QG2 VAL 18 12.500% * 0.0305% (0.23 1.0 1.00 0.02 0.02) = 0.031% Peak 2572 (1.30, 0.55, 21.65 ppm): 3 chemical-shift based assignments, quality = 0.271, support = 0.71, residual support = 0.74: QG2 THR 23 - QG2 VAL 41 33.333% * 52.3952% (0.16 1.02 1.28) = 52.395% kept QB ALA 88 - QG2 VAL 41 33.333% * 42.0940% (0.32 0.42 0.17) = 42.094% kept QG2 THR 77 - QG2 VAL 41 33.333% * 5.5108% (0.88 0.02 0.02) = 5.511% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2573 (1.42, 0.55, 21.65 ppm): 9 chemical-shift based assignments, quality = 0.644, support = 0.441, residual support = 0.223: T HB2 LEU 80 - QG2 VAL 41 11.111% * 80.3200% (0.61 10.00 0.48 0.25) = 80.320% kept HG LEU 80 - QG2 VAL 41 11.111% * 8.3070% (0.92 1.00 0.33 0.25) = 8.307% kept HG12 ILE 19 - QG2 VAL 41 11.111% * 6.5795% (1.00 1.00 0.24 0.02) = 6.580% kept HB3 LEU 67 - QG2 VAL 41 11.111% * 3.4113% (0.43 1.00 0.29 0.11) = 3.411% kept QB ALA 110 - QG2 VAL 41 11.111% * 0.5242% (0.96 1.00 0.02 0.02) = 0.524% QB ALA 61 - QG2 VAL 41 11.111% * 0.3657% (0.67 1.00 0.02 1.59) = 0.366% HD3 LYS+ 121 - QG2 VAL 41 11.111% * 0.2058% (0.38 1.00 0.02 0.02) = 0.206% HB3 LYS+ 74 - QG2 VAL 41 11.111% * 0.1780% (0.32 1.00 0.02 0.02) = 0.178% QG LYS+ 66 - QG2 VAL 41 11.111% * 0.1085% (0.20 1.00 0.02 0.54) = 0.109% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2574 (8.98, 0.55, 21.65 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 0.319, residual support = 0.319: HN LYS+ 106 - QG2 VAL 41 100.000% *100.0000% (0.24 0.32 0.32) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2575 (9.01, 1.84, 34.57 ppm): 1 chemical-shift based assignment, quality = 0.185, support = 4.26, residual support = 55.5: O HN VAL 41 - HB VAL 41 100.000% *100.0000% (0.18 10.0 4.26 55.52) = 100.000% kept Peak 2577 (9.70, 0.76, 22.78 ppm): 2 chemical-shift based assignments, quality = 0.926, support = 1.56, residual support = 10.4: HN LEU 98 - QG1 VAL 41 50.000% * 93.1692% (0.96 1.66 11.13) = 93.169% kept HN LEU 98 - QG2 VAL 18 50.000% * 6.8308% (0.52 0.22 0.02) = 6.831% kept Peak 2578 (7.28, 1.84, 34.57 ppm): 3 chemical-shift based assignments, quality = 0.339, support = 0.902, residual support = 0.667: QD PHE 60 - HB VAL 41 33.333% * 60.3224% (0.40 1.09 0.86) = 60.322% kept HN LYS+ 66 - HB VAL 41 33.333% * 26.5566% (0.29 0.67 0.54) = 26.557% kept HN LYS+ 81 - HB VAL 41 33.333% * 13.1211% (0.18 0.51 0.02) = 13.121% kept Peak 2579 (8.94, 4.88, 60.22 ppm): 3 chemical-shift based assignments, quality = 0.956, support = 4.35, residual support = 17.4: O HN VAL 42 - HA VAL 41 33.333% * 98.4086% (0.96 10.0 4.42 17.65) = 98.409% kept HN LEU 73 - HA VAL 41 33.333% * 1.5580% (0.96 1.0 0.32 0.02) = 1.558% kept HN ILE 19 - HA VAL 41 33.333% * 0.0334% (0.32 1.0 0.02 0.02) = 0.033% Peak 2580 (9.17, 4.44, 60.39 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 4.47, residual support = 23.1: O HN VAL 43 - HA VAL 42 50.000% * 99.9884% (0.78 10.0 4.47 23.15) = 99.988% kept HN VAL 43 - HA PHE 55 50.000% * 0.0116% (0.09 1.0 0.02 0.02) = 0.012% 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): 2 chemical-shift based assignments, quality = 0.929, support = 0.139, residual support = 0.134: QD1 ILE 89 - QG2 VAL 41 50.000% * 92.1774% (0.96 0.15 0.14) = 92.177% kept QG2 VAL 83 - QG2 VAL 41 50.000% * 7.8226% (0.61 0.02 0.02) = 7.823% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2583 (1.82, 1.39, 32.90 ppm): 18 chemical-shift based assignments, quality = 0.656, support = 3.64, residual support = 17.0: T HB VAL 41 - HB VAL 42 5.556% * 96.1589% (0.67 10.00 3.78 17.65) = 96.159% kept QB LYS+ 66 - HB VAL 42 5.556% * 1.6458% (0.72 1.00 0.32 0.02) = 1.646% kept HB2 LEU 71 - HB VAL 42 5.556% * 0.6539% (0.14 1.00 0.63 0.02) = 0.654% T HB VAL 41 - HB2 LYS+ 112 5.556% * 0.5069% (0.35 10.00 0.02 0.02) = 0.507% T QB LYS+ 102 - HB VAL 42 5.556% * 0.3910% (0.27 10.00 0.02 0.02) = 0.391% T QB LYS+ 102 - HB2 LYS+ 112 5.556% * 0.2061% (0.14 10.00 0.02 0.02) = 0.206% HG12 ILE 103 - HB VAL 42 5.556% * 0.0756% (0.53 1.00 0.02 0.02) = 0.076% HG2 PRO 93 - HB VAL 42 5.556% * 0.0756% (0.53 1.00 0.02 0.02) = 0.076% QB LYS+ 66 - HB2 LYS+ 112 5.556% * 0.0546% (0.38 1.00 0.02 0.02) = 0.055% HG2 PRO 93 - HB2 LYS+ 112 5.556% * 0.0399% (0.28 1.00 0.02 0.02) = 0.040% HG12 ILE 103 - HB2 LYS+ 112 5.556% * 0.0399% (0.28 1.00 0.02 0.02) = 0.040% HG LEU 123 - HB VAL 42 5.556% * 0.0338% (0.24 1.00 0.02 0.02) = 0.034% HB3 PRO 52 - HB VAL 42 5.556% * 0.0338% (0.24 1.00 0.02 0.02) = 0.034% QB LYS+ 65 - HB VAL 42 5.556% * 0.0246% (0.17 1.00 0.02 0.02) = 0.025% HG LEU 123 - HB2 LYS+ 112 5.556% * 0.0178% (0.12 1.00 0.02 0.02) = 0.018% HB3 PRO 52 - HB2 LYS+ 112 5.556% * 0.0178% (0.12 1.00 0.02 0.02) = 0.018% QB LYS+ 65 - HB2 LYS+ 112 5.556% * 0.0129% (0.09 1.00 0.02 0.02) = 0.013% HB2 LEU 71 - HB2 LYS+ 112 5.556% * 0.0109% (0.08 1.00 0.02 0.02) = 0.011% Peak 2584 (8.96, 0.15, 20.83 ppm): 3 chemical-shift based assignments, quality = 0.368, support = 3.34, residual support = 41.8: HN VAL 42 - QG2 VAL 42 33.333% * 60.4105% (0.37 4.55 68.59) = 60.410% kept HN LYS+ 106 - QG2 VAL 42 33.333% * 21.2628% (0.37 1.60 0.90) = 21.263% kept HN LEU 73 - QG2 VAL 42 33.333% * 18.3267% (0.37 1.38 1.06) = 18.327% kept Peak 2585 (9.17, 0.15, 20.83 ppm): 1 chemical-shift based assignment, quality = 0.475, support = 4.56, residual support = 23.1: HN VAL 43 - QG2 VAL 42 100.000% *100.0000% (0.47 4.56 23.15) = 100.000% kept Peak 2586 (4.44, 0.37, 21.48 ppm): 10 chemical-shift based assignments, quality = 0.887, support = 3.56, residual support = 59.7: O T HA VAL 42 - QG1 VAL 42 10.000% * 86.9071% (0.92 10.0 10.00 4.00 68.59) = 86.907% kept T HA VAL 42 - QB ALA 47 10.000% * 9.6439% (0.83 1.0 10.00 0.25 0.02) = 9.644% kept HA THR 46 - QB ALA 47 10.000% * 2.3795% (0.20 1.0 1.00 2.58 4.20) = 2.380% kept T HA GLN 17 - QG1 VAL 42 10.000% * 0.2821% (0.30 1.0 10.00 0.02 0.02) = 0.282% T HA GLN 17 - QB ALA 47 10.000% * 0.2540% (0.27 1.0 10.00 0.02 0.02) = 0.254% T HA PHE 55 - QG1 VAL 42 10.000% * 0.2416% (0.26 1.0 10.00 0.02 0.02) = 0.242% T HA PHE 55 - QB ALA 47 10.000% * 0.2175% (0.23 1.0 10.00 0.02 0.02) = 0.218% HA SER 37 - QG1 VAL 42 10.000% * 0.0282% (0.30 1.0 1.00 0.02 0.02) = 0.028% HA SER 37 - QB ALA 47 10.000% * 0.0254% (0.27 1.0 1.00 0.02 0.02) = 0.025% HA THR 46 - QG1 VAL 42 10.000% * 0.0205% (0.22 1.0 1.00 0.02 0.23) = 0.020% Peak 2587 (7.28, 0.37, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 0.718, residual support = 1.37: QD PHE 60 - QG1 VAL 42 16.667% * 65.1604% (0.85 0.90 2.04) = 65.160% kept HN LYS+ 81 - QG1 VAL 42 16.667% * 17.7781% (0.40 0.53 0.22) = 17.778% kept HN LYS+ 66 - QG1 VAL 42 16.667% * 14.2048% (0.62 0.27 0.02) = 14.205% kept QD PHE 60 - QB ALA 47 16.667% * 1.3057% (0.77 0.02 0.02) = 1.306% kept HN LYS+ 66 - QB ALA 47 16.667% * 0.9434% (0.55 0.02 0.02) = 0.943% HN LYS+ 81 - QB ALA 47 16.667% * 0.6076% (0.36 0.02 0.02) = 0.608% Peak 2588 (8.96, 0.37, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.556, support = 3.33, residual support = 44.5: HN VAL 42 - QG1 VAL 42 16.667% * 64.4403% (0.56 4.53 68.59) = 64.440% kept HN LYS+ 106 - QG1 VAL 42 16.667% * 21.3892% (0.56 1.50 0.90) = 21.389% kept HN LEU 73 - QG1 VAL 42 16.667% * 11.3745% (0.56 0.80 1.06) = 11.375% kept HN VAL 42 - QB ALA 47 16.667% * 2.2832% (0.50 0.18 0.02) = 2.283% kept HN LYS+ 106 - QB ALA 47 16.667% * 0.2564% (0.50 0.02 0.02) = 0.256% HN LEU 73 - QB ALA 47 16.667% * 0.2564% (0.50 0.02 0.02) = 0.256% Peak 2589 (9.19, 0.37, 21.48 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2590 (9.40, 0.37, 21.48 ppm): 2 chemical-shift based assignments, quality = 0.145, support = 0.02, residual support = 0.02: HN LEU 104 - QG1 VAL 42 50.000% * 52.6226% (0.15 0.02 0.02) = 52.623% kept HN LEU 104 - QB ALA 47 50.000% * 47.3774% (0.14 0.02 0.02) = 47.377% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2591 (6.65, 0.37, 21.60 ppm): 4 chemical-shift based assignments, quality = 0.455, support = 0.02, residual support = 0.109: HD22 ASN 69 - QB ALA 47 25.000% * 34.2624% (0.59 0.02 0.28) = 34.262% kept HE22 GLN 30 - QB ALA 47 25.000% * 25.0043% (0.43 0.02 0.02) = 25.004% kept HD22 ASN 69 - QG1 VAL 42 25.000% * 23.5482% (0.40 0.02 0.02) = 23.548% kept HE22 GLN 30 - QG1 VAL 42 25.000% * 17.1852% (0.30 0.02 0.02) = 17.185% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2592 (7.03, 0.37, 21.60 ppm): 4 chemical-shift based assignments, quality = 0.393, support = 1.67, residual support = 5.28: O HN ALA 47 - QB ALA 47 25.000% * 57.6730% (0.12 10.0 1.87 8.02) = 57.673% kept QD PHE 95 - QB ALA 47 25.000% * 34.1155% (0.81 1.0 1.62 1.90) = 34.115% kept QD PHE 95 - QG1 VAL 42 25.000% * 8.1690% (0.56 1.0 0.56 0.12) = 8.169% kept HN ALA 47 - QG1 VAL 42 25.000% * 0.0425% (0.08 1.0 0.02 0.02) = 0.042% Peak 2593 (1.37, 0.76, 21.16 ppm): 11 chemical-shift based assignments, quality = 0.408, support = 3.0, residual support = 16.7: HB VAL 42 - QG1 VAL 43 9.091% * 69.7299% (0.34 4.14 23.15) = 69.730% kept HG3 LYS+ 106 - QG1 VAL 43 9.091% * 15.9872% (0.69 0.46 3.38) = 15.987% kept HB2 LYS+ 112 - QG1 VAL 43 9.091% * 10.3803% (0.57 0.36 0.02) = 10.380% kept HG3 LYS+ 65 - QG1 VAL 43 9.091% * 1.3617% (0.34 0.08 0.02) = 1.362% kept HG3 LYS+ 102 - QG1 VAL 43 9.091% * 0.4755% (0.47 0.02 0.02) = 0.476% HB3 PRO 93 - QG1 VAL 43 9.091% * 0.4755% (0.47 0.02 0.02) = 0.476% HB3 LEU 73 - QG1 VAL 43 9.091% * 0.4281% (0.43 0.02 1.03) = 0.428% QB ALA 84 - QG1 VAL 43 9.091% * 0.4281% (0.43 0.02 0.02) = 0.428% HG LEU 98 - QG1 VAL 43 9.091% * 0.2943% (0.29 0.02 0.02) = 0.294% HG3 LYS+ 33 - QG1 VAL 43 9.091% * 0.2545% (0.25 0.02 0.02) = 0.255% QB ALA 124 - QG1 VAL 43 9.091% * 0.1848% (0.18 0.02 0.02) = 0.185% Peak 2594 (6.33, 0.76, 21.16 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2595 (9.17, 0.76, 21.16 ppm): 1 chemical-shift based assignment, quality = 0.613, support = 4.4, residual support = 50.1: HN VAL 43 - QG1 VAL 43 100.000% *100.0000% (0.61 4.40 50.06) = 100.000% kept Peak 2596 (8.80, 0.06, 21.48 ppm): 6 chemical-shift based assignments, quality = 0.162, support = 2.48, residual support = 7.88: HN ASP- 44 - QG2 VAL 43 16.667% * 58.4075% (0.12 3.70 11.55) = 58.408% kept HN ASN 28 - QG2 VAL 43 16.667% * 19.8418% (0.36 0.42 0.10) = 19.842% kept HN ASN 28 - QD2 LEU 31 16.667% * 17.3769% (0.11 1.19 6.33) = 17.377% kept HN ASP- 44 - QD2 LEU 31 16.667% * 4.0235% (0.04 0.83 0.24) = 4.024% kept HN GLU- 25 - QG2 VAL 43 16.667% * 0.2678% (0.10 0.02 0.02) = 0.268% HN GLU- 25 - QD2 LEU 31 16.667% * 0.0824% (0.03 0.02 0.02) = 0.082% Peak 2597 (9.17, 1.77, 34.62 ppm): 1 chemical-shift based assignment, quality = 0.723, support = 3.69, residual support = 50.1: O HN VAL 43 - HB VAL 43 100.000% *100.0000% (0.72 10.0 3.69 50.06) = 100.000% kept Peak 2598 (9.31, 1.77, 34.62 ppm): 1 chemical-shift based assignment, quality = 0.218, support = 1.28, residual support = 6.51: HN MET 96 - HB VAL 43 100.000% *100.0000% (0.22 1.28 6.51) = 100.000% kept Peak 2599 (6.87, 1.34, 38.87 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.87, residual support = 7.79: QD PHE 45 - HB3 ASP- 44 100.000% *100.0000% (0.61 2.87 7.79) = 100.000% kept Peak 2600 (8.78, 1.34, 38.87 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 3.32, residual support = 32.5: O HN ASP- 44 - HB3 ASP- 44 33.333% * 99.8864% (0.96 10.0 3.32 32.52) = 99.886% kept HN GLU- 25 - HB3 ASP- 44 33.333% * 0.0965% (0.92 1.0 0.02 0.02) = 0.096% HN ASN 28 - HB3 ASP- 44 33.333% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 2601 (4.92, 2.27, 38.87 ppm): 2 chemical-shift based assignments, quality = 0.691, support = 1.32, residual support = 2.27: HA MET 92 - HB2 ASP- 44 50.000% * 62.9524% (0.61 1.68 3.49) = 62.952% kept HA LYS+ 74 - HB2 ASP- 44 50.000% * 37.0476% (0.84 0.72 0.21) = 37.048% kept Peak 2602 (8.78, 2.27, 38.87 ppm): 3 chemical-shift based assignments, quality = 0.955, support = 2.83, residual support = 32.5: O HN ASP- 44 - HB2 ASP- 44 33.333% * 99.8864% (0.96 10.0 2.83 32.52) = 99.886% kept HN GLU- 25 - HB2 ASP- 44 33.333% * 0.0965% (0.92 1.0 0.02 0.02) = 0.096% HN ASN 28 - HB2 ASP- 44 33.333% * 0.0172% (0.16 1.0 0.02 0.02) = 0.017% Peak 2603 (8.77, 4.29, 51.33 ppm): 2 chemical-shift based assignments, quality = 0.606, support = 3.17, residual support = 32.5: O HN ASP- 44 - HA ASP- 44 50.000% * 99.8902% (0.61 10.0 3.17 32.52) = 99.890% kept HN GLU- 25 - HA ASP- 44 50.000% * 0.1098% (0.67 1.0 0.02 0.02) = 0.110% Peak 2604 (5.97, 4.29, 51.33 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.0, residual support = 3.11: HA PHE 95 - HA ASP- 44 100.000% *100.0000% (0.73 2.00 3.11) = 100.000% kept Peak 2605 (3.96, 3.05, 39.30 ppm): 8 chemical-shift based assignments, quality = 0.519, support = 2.15, residual support = 10.9: T HB THR 94 - HB2 PHE 45 12.500% * 72.0226% (0.38 10.00 2.66 15.13) = 72.023% kept QB SER 85 - HB2 PHE 45 12.500% * 8.5690% (0.92 1.00 0.97 0.25) = 8.569% kept HA2 GLY 16 - HB2 PHE 45 12.500% * 6.9043% (0.92 1.00 0.78 0.02) = 6.904% kept HA ALA 120 - HB2 PHE 45 12.500% * 6.5441% (0.88 1.00 0.77 0.02) = 6.544% kept HA LYS+ 65 - HB2 PHE 45 12.500% * 5.7639% (0.84 1.00 0.72 0.02) = 5.764% kept QB SER 48 - HB2 PHE 45 12.500% * 0.1048% (0.55 1.00 0.02 0.02) = 0.105% HA LYS+ 121 - HB2 PHE 45 12.500% * 0.0534% (0.28 1.00 0.02 0.02) = 0.053% HA2 GLY 51 - HB2 PHE 45 12.500% * 0.0380% (0.20 1.00 0.02 0.02) = 0.038% Peak 2606 (1.28, 3.05, 39.30 ppm): 4 chemical-shift based assignments, quality = 0.213, support = 1.45, residual support = 2.97: QG2 THR 77 - HB2 PHE 45 25.000% * 90.2663% (0.16 1.60 3.29) = 90.266% kept QG2 THR 23 - HB2 PHE 45 25.000% * 6.0396% (0.88 0.02 0.02) = 6.040% kept QB ALA 34 - HB2 PHE 45 25.000% * 2.5685% (0.38 0.02 0.02) = 2.569% kept QG2 ILE 56 - HB2 PHE 45 25.000% * 1.1256% (0.16 0.02 0.02) = 1.126% kept Peak 2607 (0.63, 3.05, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 0.849, residual support = 6.42: T QG2 ILE 89 - HB2 PHE 45 50.000% * 99.9343% (1.00 10.00 0.85 6.43) = 99.934% kept QG1 VAL 83 - HB2 PHE 45 50.000% * 0.0657% (0.28 1.00 0.02 2.96) = 0.066% Peak 2608 (1.31, 2.42, 39.30 ppm): 4 chemical-shift based assignments, quality = 0.773, support = 1.62, residual support = 1.65: QB ALA 88 - HB3 PHE 45 25.000% * 45.6048% (0.98 1.91 1.37) = 45.605% kept QG2 THR 77 - HB3 PHE 45 25.000% * 26.4802% (0.73 1.50 3.29) = 26.480% kept HG2 LYS+ 38 - HB3 PHE 45 25.000% * 17.0797% (0.55 1.29 0.59) = 17.080% kept HG2 LYS+ 99 - HB3 PHE 45 25.000% * 10.8353% (0.38 1.19 0.54) = 10.835% kept Peak 2609 (0.64, 2.42, 39.30 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 1.23, residual support = 6.43: T QG2 ILE 89 - HB3 PHE 45 100.000% *100.0000% (0.43 10.00 1.23 6.43) = 100.000% kept Peak 2610 (6.84, 3.05, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.412, support = 2.83, residual support = 49.7: O QD PHE 45 - HB2 PHE 45 33.333% * 90.3078% (0.38 10.0 3.08 55.08) = 90.308% kept HD2 HIS 122 - HB2 PHE 45 33.333% * 5.2941% (0.78 1.0 0.56 0.02) = 5.294% kept HE22 GLN 116 - HB2 PHE 45 33.333% * 4.3981% (0.73 1.0 0.50 0.02) = 4.398% kept Peak 2611 (8.75, 3.05, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 3.45, residual support = 55.0: O HN PHE 45 - HB2 PHE 45 50.000% * 99.8287% (0.49 10.0 3.45 55.08) = 99.829% kept HN ALA 110 - HB2 PHE 45 50.000% * 0.1713% (0.84 1.0 0.02 0.19) = 0.171% Peak 2612 (6.84, 2.42, 39.30 ppm): 3 chemical-shift based assignments, quality = 0.431, support = 3.01, residual support = 47.0: O QD PHE 45 - HB3 PHE 45 33.333% * 85.3882% (0.38 10.0 3.37 55.08) = 85.388% kept HD2 HIS 122 - HB3 PHE 45 33.333% * 8.2950% (0.78 1.0 0.93 0.02) = 8.295% kept HE22 GLN 116 - HB3 PHE 45 33.333% * 6.3168% (0.73 1.0 0.76 0.02) = 6.317% kept Peak 2613 (8.75, 2.42, 39.30 ppm): 2 chemical-shift based assignments, quality = 0.486, support = 3.75, residual support = 55.0: O HN PHE 45 - HB3 PHE 45 50.000% * 99.8287% (0.49 10.0 3.76 55.08) = 99.829% kept HN ALA 110 - HB3 PHE 45 50.000% * 0.1713% (0.84 1.0 0.02 0.19) = 0.171% Peak 2614 (5.04, 0.75, 18.88 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 1.04, residual support = 2.18: HA ASP- 76 - QG2 THR 46 100.000% *100.0000% (0.14 1.04 2.18) = 100.000% kept Not enough quality. Peak unassigned. Peak 2615 (8.48, 0.75, 18.88 ppm): 5 chemical-shift based assignments, quality = 0.561, support = 2.59, residual support = 21.0: HN THR 46 - QG2 THR 46 20.000% * 89.1281% (0.55 2.89 23.52) = 89.128% kept HN LYS+ 74 - QG2 THR 46 20.000% * 5.9756% (1.00 0.11 0.02) = 5.976% kept HN LYS+ 112 - QG2 THR 46 20.000% * 3.8283% (0.38 0.18 0.02) = 3.828% kept HN MET 11 - QG2 THR 46 20.000% * 0.7539% (0.67 0.02 0.02) = 0.754% HN MET 92 - QG2 THR 46 20.000% * 0.3143% (0.28 0.02 0.02) = 0.314% Peak 2616 (7.03, 0.75, 18.88 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 1.6, residual support = 2.61: QD PHE 95 - QG2 THR 46 100.000% *100.0000% (0.67 1.60 2.61) = 100.000% kept Peak 2617 (2.82, 0.75, 18.88 ppm): 2 chemical-shift based assignments, quality = 0.492, support = 0.336, residual support = 0.254: HB3 ASN 69 - QG2 THR 46 50.000% * 89.0095% (0.43 0.38 0.28) = 89.009% kept HB2 PHE 72 - QG2 THR 46 50.000% * 10.9905% (1.00 0.02 0.02) = 10.991% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2619 (9.46, 3.99, 61.71 ppm): 2 chemical-shift based assignments, quality = 0.198, support = 2.58, residual support = 10.2: O HN SER 48 - HA SER 48 50.000% * 99.9667% (0.20 10.0 2.58 10.18) = 99.967% kept HN SER 48 - HB2 SER 82 50.000% * 0.0333% (0.07 1.0 0.02 0.02) = 0.033% Peak 2620 (9.45, 3.94, 63.31 ppm): 3 chemical-shift based assignments, quality = 0.882, support = 2.58, residual support = 10.2: O HN SER 48 - QB SER 48 33.333% * 99.9719% (0.88 10.0 2.59 10.18) = 99.972% kept HN SER 48 - QB SER 117 33.333% * 0.0151% (0.13 1.0 0.02 0.02) = 0.015% HN SER 48 - QB SER 85 33.333% * 0.0130% (0.12 1.0 0.02 0.02) = 0.013% Peak 2621 (6.63, 3.69, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 4.0, residual support = 69.8: O HN TRP 49 - HB2 TRP 49 50.000% * 99.9054% (0.88 10.0 4.00 69.82) = 99.905% kept HE22 GLN 30 - HB2 TRP 49 50.000% * 0.0946% (0.84 1.0 0.02 0.02) = 0.095% Peak 2622 (7.36, 3.69, 29.61 ppm): 4 chemical-shift based assignments, quality = 0.623, support = 4.24, residual support = 62.8: O HD1 TRP 49 - HB2 TRP 49 25.000% * 89.7685% (0.61 10.0 4.56 69.82) = 89.768% kept HD2 HIS 22 - HB2 TRP 49 25.000% * 9.3861% (0.84 1.0 1.52 0.94) = 9.386% kept HD21 ASN 35 - HB2 TRP 49 25.000% * 0.7094% (0.88 1.0 0.11 0.02) = 0.709% HN LEU 67 - HB2 TRP 49 25.000% * 0.1360% (0.16 1.0 0.11 0.02) = 0.136% Peak 2623 (6.63, 3.15, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.588, support = 4.0, residual support = 69.8: O HN TRP 49 - HB3 TRP 49 50.000% * 99.9054% (0.59 10.0 4.00 69.82) = 99.905% kept HE22 GLN 30 - HB3 TRP 49 50.000% * 0.0946% (0.56 1.0 0.02 0.02) = 0.095% Peak 2624 (7.36, 3.15, 29.61 ppm): 4 chemical-shift based assignments, quality = 0.416, support = 4.28, residual support = 62.6: O HD1 TRP 49 - HB3 TRP 49 25.000% * 89.5863% (0.40 10.0 4.61 69.82) = 89.586% kept HD2 HIS 22 - HB3 TRP 49 25.000% * 9.5700% (0.56 1.0 1.55 0.94) = 9.570% kept HD21 ASN 35 - HB3 TRP 49 25.000% * 0.7080% (0.59 1.0 0.11 0.02) = 0.708% HN LEU 67 - HB3 TRP 49 25.000% * 0.1357% (0.11 1.0 0.11 0.02) = 0.136% Peak 2625 (2.64, 3.15, 29.61 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.02: HB2 ASP- 62 - HB3 TRP 49 50.000% * 50.0000% (0.48 0.02 0.02) = 50.000% kept HB2 PRO 52 - HB3 TRP 49 50.000% * 50.0000% (0.48 0.02 0.02) = 50.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2626 (2.40, 3.15, 29.61 ppm): 5 chemical-shift based assignments, quality = 0.399, support = 0.02, residual support = 0.02: HB VAL 107 - HB3 TRP 49 20.000% * 39.3445% (0.59 0.02 0.02) = 39.344% kept QG GLN 32 - HB3 TRP 49 20.000% * 27.0410% (0.40 0.02 0.02) = 27.041% kept QE LYS+ 112 - HB3 TRP 49 20.000% * 12.3958% (0.19 0.02 0.02) = 12.396% kept HB3 PHE 45 - HB3 TRP 49 20.000% * 12.3958% (0.19 0.02 0.02) = 12.396% kept QG GLU- 79 - HB3 TRP 49 20.000% * 8.8229% (0.13 0.02 0.02) = 8.823% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2627 (0.38, 2.80, 44.93 ppm): 3 chemical-shift based assignments, quality = 0.354, support = 2.14, residual support = 2.02: QB ALA 47 - QB CYS 50 33.333% * 66.4833% (0.38 2.78 2.82) = 66.483% kept QB ALA 64 - QB CYS 50 33.333% * 18.4560% (0.38 0.77 0.45) = 18.456% kept QG1 VAL 42 - QB CYS 50 33.333% * 15.0607% (0.24 1.00 0.40) = 15.061% kept Peak 2628 (3.83, 2.80, 44.93 ppm): 4 chemical-shift based assignments, quality = 0.963, support = 1.42, residual support = 4.03: T HB2 CYS 53 - QB CYS 50 25.000% * 93.7756% (1.00 10.00 1.39 4.30) = 93.776% kept HD3 PRO 52 - QB CYS 50 25.000% * 6.1155% (0.49 1.00 1.86 0.11) = 6.116% kept HA GLN 30 - QB CYS 50 25.000% * 0.0821% (0.61 1.00 0.02 0.02) = 0.082% HD2 PRO 58 - QB CYS 50 25.000% * 0.0268% (0.20 1.00 0.02 0.02) = 0.027% Peak 2629 (6.61, 2.80, 44.93 ppm): 2 chemical-shift based assignments, quality = 0.588, support = 1.65, residual support = 6.94: O HN CYS 50 - QB CYS 50 50.000% * 91.9377% (0.61 10.0 1.60 6.46) = 91.938% kept HN TRP 49 - QB CYS 50 50.000% * 8.0623% (0.38 1.0 2.27 12.38) = 8.062% kept Peak 2630 (3.94, 4.27, 48.66 ppm): 9 chemical-shift based assignments, quality = 0.723, support = 1.47, residual support = 7.14: O T HA2 GLY 51 - HA1 GLY 51 11.111% * 97.6701% (0.73 10.0 10.00 1.50 7.31) = 97.670% kept T QB SER 48 - HA1 GLY 51 11.111% * 1.3383% (1.00 1.0 10.00 0.02 0.02) = 1.338% kept T QB SER 85 - HA1 GLY 51 11.111% * 0.5048% (0.38 1.0 10.00 0.02 0.02) = 0.505% HB THR 94 - HA1 GLY 51 11.111% * 0.1242% (0.92 1.0 1.00 0.02 0.02) = 0.124% HA ALA 120 - HA1 GLY 51 11.111% * 0.1187% (0.88 1.0 1.00 0.02 0.02) = 0.119% HA LYS+ 121 - HA1 GLY 51 11.111% * 0.1123% (0.84 1.0 1.00 0.02 0.02) = 0.112% HA2 GLY 16 - HA1 GLY 51 11.111% * 0.0505% (0.38 1.0 1.00 0.02 0.02) = 0.050% QB SER 117 - HA1 GLY 51 11.111% * 0.0437% (0.32 1.0 1.00 0.02 0.02) = 0.044% HA LYS+ 65 - HA1 GLY 51 11.111% * 0.0374% (0.28 1.0 1.00 0.02 0.02) = 0.037% Peak 2631 (3.34, 2.63, 32.81 ppm): 6 chemical-shift based assignments, quality = 0.964, support = 3.57, residual support = 30.2: HB3 CYS 53 - HB2 PRO 52 16.667% * 87.8202% (0.98 4.03 34.32) = 87.820% kept HD2 ARG+ 54 - HB2 PRO 52 16.667% * 5.5986% (0.92 0.27 0.34) = 5.599% kept HD3 PRO 68 - HB2 PRO 52 16.667% * 5.5938% (0.92 0.27 0.02) = 5.594% kept HD3 PRO 93 - HB2 PRO 52 16.667% * 0.4250% (0.96 0.02 0.02) = 0.425% QB PHE 55 - HB2 PRO 52 16.667% * 0.3713% (0.84 0.02 0.19) = 0.371% HB2 PHE 59 - HB2 PRO 52 16.667% * 0.1910% (0.43 0.02 0.02) = 0.191% Peak 2632 (3.31, 1.84, 32.81 ppm): 3 chemical-shift based assignments, quality = 0.501, support = 0.352, residual support = 0.0653: HB2 PHE 59 - HB3 PRO 52 33.333% * 71.8218% (0.61 0.36 0.02) = 71.822% kept QB PHE 55 - HB3 PRO 52 33.333% * 27.0913% (0.24 0.35 0.19) = 27.091% kept HD3 PRO 68 - HB3 PRO 52 33.333% * 1.0870% (0.16 0.02 0.02) = 1.087% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2633 (1.45, 2.63, 32.81 ppm): 8 chemical-shift based assignments, quality = 0.567, support = 0.301, residual support = 0.0672: QG LYS+ 66 - HB2 PRO 52 12.500% * 42.0082% (0.67 0.27 0.02) = 42.008% kept HB3 LEU 67 - HB2 PRO 52 12.500% * 39.8013% (0.38 0.46 0.13) = 39.801% kept HG2 LYS+ 102 - HB2 PRO 52 12.500% * 4.5977% (1.00 0.02 0.02) = 4.598% kept HG LEU 73 - HB2 PRO 52 12.500% * 4.2654% (0.92 0.02 0.02) = 4.265% kept HB3 LEU 115 - HB2 PRO 52 12.500% * 3.0819% (0.67 0.02 0.02) = 3.082% kept HG LEU 40 - HB2 PRO 52 12.500% * 3.0819% (0.67 0.02 0.02) = 3.082% kept HG LEU 67 - HB2 PRO 52 12.500% * 2.2491% (0.49 0.02 0.13) = 2.249% kept QB ALA 61 - HB2 PRO 52 12.500% * 0.9144% (0.20 0.02 0.02) = 0.914% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2634 (1.34, 3.98, 51.93 ppm): 11 chemical-shift based assignments, quality = 0.913, support = 0.91, residual support = 0.364: HB2 LEU 63 - HD2 PRO 52 9.091% * 55.0979% (1.00 1.26 0.49) = 55.098% kept HB3 ASP- 44 - HD2 PRO 52 9.091% * 26.8194% (0.96 0.64 0.29) = 26.819% kept HB2 LEU 31 - HD2 PRO 52 9.091% * 12.0072% (0.78 0.35 0.12) = 12.007% kept QB ALA 84 - HD2 PRO 52 9.091% * 2.7190% (0.43 0.14 0.02) = 2.719% kept HB3 LEU 80 - HD2 PRO 52 9.091% * 0.8378% (0.96 0.02 0.02) = 0.838% QB ALA 124 - HD2 PRO 52 9.091% * 0.6859% (0.78 0.02 0.02) = 0.686% HG2 LYS+ 111 - HD2 PRO 52 9.091% * 0.5845% (0.67 0.02 0.02) = 0.585% HG LEU 98 - HD2 PRO 52 9.091% * 0.5316% (0.61 0.02 0.02) = 0.532% HB3 PRO 93 - HD2 PRO 52 9.091% * 0.3289% (0.38 0.02 0.02) = 0.329% HG2 LYS+ 99 - HD2 PRO 52 9.091% * 0.2437% (0.28 0.02 0.02) = 0.244% HG2 LYS+ 38 - HD2 PRO 52 9.091% * 0.1441% (0.16 0.02 0.02) = 0.144% Peak 2635 (3.99, 3.84, 51.93 ppm): 8 chemical-shift based assignments, quality = 0.605, support = 6.98, residual support = 190.3: O T HD2 PRO 52 - HD3 PRO 52 12.500% * 97.2206% (0.61 10.0 10.00 7.18 195.71) = 97.221% kept T HA SER 48 - HD3 PRO 52 12.500% * 1.5712% (0.98 1.0 10.00 0.02 0.02) = 1.571% kept T HB2 SER 82 - HD3 PRO 52 12.500% * 0.7802% (0.49 1.0 10.00 0.02 0.02) = 0.780% HA ALA 88 - HD3 PRO 52 12.500% * 0.1480% (0.92 1.0 1.00 0.02 0.02) = 0.148% HA GLN 32 - HD3 PRO 52 12.500% * 0.1415% (0.88 1.0 1.00 0.02 0.02) = 0.141% HA VAL 18 - HD3 PRO 52 12.500% * 0.0602% (0.38 1.0 1.00 0.02 0.02) = 0.060% HA GLU- 29 - HD3 PRO 52 12.500% * 0.0520% (0.32 1.0 1.00 0.02 0.02) = 0.052% HA LYS+ 33 - HD3 PRO 52 12.500% * 0.0264% (0.16 1.0 1.00 0.02 0.02) = 0.026% Peak 2636 (3.85, 3.98, 51.93 ppm): 7 chemical-shift based assignments, quality = 0.724, support = 6.96, residual support = 189.4: O T HD3 PRO 52 - HD2 PRO 52 14.286% * 96.7847% (0.73 10.0 10.00 7.18 195.71) = 96.785% kept HA GLN 30 - HD2 PRO 52 14.286% * 1.9649% (0.61 1.0 1.00 0.49 0.02) = 1.965% kept T HB3 SER 82 - HD2 PRO 52 14.286% * 1.1133% (0.84 1.0 10.00 0.02 0.02) = 1.113% kept QB SER 13 - HD2 PRO 52 14.286% * 0.0500% (0.38 1.0 1.00 0.02 0.02) = 0.050% HB THR 39 - HD2 PRO 52 14.286% * 0.0433% (0.32 1.0 1.00 0.02 0.02) = 0.043% HA ILE 89 - HD2 PRO 52 14.286% * 0.0219% (0.16 1.0 1.00 0.02 0.02) = 0.022% HB3 SER 37 - HD2 PRO 52 14.286% * 0.0219% (0.16 1.0 1.00 0.02 0.02) = 0.022% Peak 2637 (4.28, 3.84, 51.93 ppm): 9 chemical-shift based assignments, quality = 0.587, support = 3.34, residual support = 4.37: O HA1 GLY 51 - HD3 PRO 52 11.111% * 80.1997% (0.55 10.0 3.92 5.42) = 80.200% kept HA SER 85 - HD3 PRO 52 11.111% * 7.4188% (0.78 1.0 1.29 0.15) = 7.419% kept HA THR 39 - HD3 PRO 52 11.111% * 5.9476% (0.73 1.0 1.12 0.02) = 5.948% kept HA ASP- 44 - HD3 PRO 52 11.111% * 3.1594% (0.67 1.0 0.65 0.29) = 3.159% kept HA ILE 103 - HD3 PRO 52 11.111% * 2.9236% (0.92 1.0 0.43 0.02) = 2.924% kept HA GLU- 79 - HD3 PRO 52 11.111% * 0.1227% (0.84 1.0 0.02 0.02) = 0.123% HB THR 77 - HD3 PRO 52 11.111% * 0.1150% (0.78 1.0 0.02 0.02) = 0.115% HA MET 11 - HD3 PRO 52 11.111% * 0.0891% (0.61 1.0 0.02 0.02) = 0.089% HA ALA 57 - HD3 PRO 52 11.111% * 0.0242% (0.16 1.0 0.02 0.02) = 0.024% Peak 2638 (4.29, 3.98, 51.93 ppm): 10 chemical-shift based assignments, quality = 0.888, support = 0.411, residual support = 0.161: T HA SER 85 - HD2 PRO 52 10.000% * 79.3307% (0.92 10.00 0.40 0.15) = 79.331% kept HA ASP- 44 - HD2 PRO 52 10.000% * 9.4525% (0.98 1.00 0.45 0.29) = 9.453% kept HA ILE 103 - HD2 PRO 52 10.000% * 7.1768% (0.78 1.00 0.43 0.02) = 7.177% kept HA ASP- 86 - HD2 PRO 52 10.000% * 2.8661% (0.24 1.00 0.57 0.47) = 2.866% kept HA MET 11 - HD2 PRO 52 10.000% * 0.4231% (1.00 1.00 0.02 0.02) = 0.423% HB THR 77 - HD2 PRO 52 10.000% * 0.3925% (0.92 1.00 0.02 0.02) = 0.393% HA ALA 12 - HD2 PRO 52 10.000% * 0.1182% (0.28 1.00 0.02 0.02) = 0.118% HA GLU- 79 - HD2 PRO 52 10.000% * 0.1002% (0.24 1.00 0.02 0.02) = 0.100% HA GLU- 14 - HD2 PRO 52 10.000% * 0.0699% (0.16 1.00 0.02 0.02) = 0.070% HA THR 39 - HD2 PRO 52 10.000% * 0.0699% (0.16 1.00 0.02 0.02) = 0.070% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2639 (2.33, 3.84, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.778, support = 5.86, residual support = 194.5: O HG2 PRO 52 - HD3 PRO 52 25.000% * 99.3941% (0.78 10.0 5.90 195.71) = 99.394% kept HG3 GLU- 25 - HD3 PRO 52 25.000% * 0.5551% (0.98 1.0 0.09 0.02) = 0.555% HB2 GLU- 79 - HD3 PRO 52 25.000% * 0.0299% (0.24 1.0 0.02 0.02) = 0.030% QG GLU- 114 - HD3 PRO 52 25.000% * 0.0209% (0.16 1.0 0.02 0.02) = 0.021% Peak 2640 (2.08, 3.84, 51.93 ppm): 5 chemical-shift based assignments, quality = 0.92, support = 6.47, residual support = 195.1: O HG3 PRO 52 - HD3 PRO 52 20.000% * 99.7001% (0.92 10.0 6.49 195.71) = 99.700% kept HG2 PRO 58 - HD3 PRO 52 20.000% * 0.0997% (0.92 1.0 0.02 0.02) = 0.100% HB2 GLU- 14 - HD3 PRO 52 20.000% * 0.0902% (0.84 1.0 0.02 0.02) = 0.090% HG2 MET 11 - HD3 PRO 52 20.000% * 0.0845% (0.78 1.0 0.02 0.02) = 0.085% HB2 PRO 68 - HD3 PRO 52 20.000% * 0.0255% (0.24 1.0 0.02 0.02) = 0.025% Peak 2641 (1.85, 3.84, 51.93 ppm): 10 chemical-shift based assignments, quality = 0.293, support = 6.2, residual support = 185.9: O HB3 PRO 52 - HD3 PRO 52 10.000% * 94.9761% (0.28 10.0 6.52 195.71) = 94.976% kept HG2 ARG+ 54 - HD3 PRO 52 10.000% * 3.3124% (0.88 1.0 0.22 0.34) = 3.312% kept HG3 PRO 68 - HD3 PRO 52 10.000% * 0.3266% (0.96 1.0 0.02 0.02) = 0.327% HB ILE 103 - HD3 PRO 52 10.000% * 0.3153% (0.92 1.0 0.02 0.02) = 0.315% HB3 ASP- 105 - HD3 PRO 52 10.000% * 0.2853% (0.84 1.0 0.02 0.02) = 0.285% QB LYS+ 33 - HD3 PRO 52 10.000% * 0.2278% (0.67 1.0 0.02 0.02) = 0.228% HB3 GLN 90 - HD3 PRO 52 10.000% * 0.1865% (0.55 1.0 0.02 0.02) = 0.187% QB LYS+ 81 - HD3 PRO 52 10.000% * 0.1467% (0.43 1.0 0.02 0.02) = 0.147% QB LYS+ 106 - HD3 PRO 52 10.000% * 0.1282% (0.38 1.0 0.02 0.02) = 0.128% HG LEU 123 - HD3 PRO 52 10.000% * 0.0950% (0.28 1.0 0.02 0.02) = 0.095% Peak 2642 (8.10, 3.84, 51.93 ppm): 2 chemical-shift based assignments, quality = 0.328, support = 5.85, residual support = 32.2: HN CYS 53 - HD3 PRO 52 50.000% * 93.9194% (0.32 6.21 34.32) = 93.919% kept HN THR 26 - HD3 PRO 52 50.000% * 6.0806% (0.38 0.35 0.02) = 6.081% kept Peak 2643 (9.58, 3.84, 51.93 ppm): 2 chemical-shift based assignments, quality = 0.829, support = 2.26, residual support = 5.38: HN GLY 51 - HD3 PRO 52 50.000% * 99.2433% (0.84 2.28 5.42) = 99.243% kept HN VAL 107 - HD3 PRO 52 50.000% * 0.7567% (0.73 0.02 0.02) = 0.757% Peak 2644 (7.85, 3.98, 51.93 ppm): 4 chemical-shift based assignments, quality = 0.74, support = 1.78, residual support = 1.43: HN ASP- 62 - HD2 PRO 52 25.000% * 64.1873% (0.84 2.15 2.09) = 64.187% kept HN ARG+ 54 - HD2 PRO 52 25.000% * 19.7384% (0.32 1.70 0.34) = 19.738% kept HN LEU 31 - HD2 PRO 52 25.000% * 14.2169% (0.92 0.43 0.12) = 14.217% kept HN PHE 55 - HD2 PRO 52 25.000% * 1.8574% (0.49 0.11 0.19) = 1.857% kept Peak 2645 (8.10, 3.98, 51.93 ppm): 2 chemical-shift based assignments, quality = 0.327, support = 7.69, residual support = 32.5: HN CYS 53 - HD2 PRO 52 50.000% * 94.6564% (0.32 8.10 34.32) = 94.656% kept HN THR 26 - HD2 PRO 52 50.000% * 5.3436% (0.38 0.40 0.02) = 5.344% kept Peak 2647 (2.79, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.802, support = 1.09, residual support = 2.59: QB CYS 50 - HB3 CYS 53 25.000% * 49.6735% (0.84 1.30 4.30) = 49.673% kept QE LYS+ 74 - HB3 CYS 53 25.000% * 40.9265% (0.88 1.01 1.11) = 40.926% kept HB3 ASN 69 - HB3 CYS 53 25.000% * 4.8295% (0.28 0.38 0.02) = 4.829% kept HB3 ASP- 78 - HB3 CYS 53 25.000% * 4.5706% (0.28 0.36 0.02) = 4.571% kept Peak 2648 (2.80, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.834, support = 1.35, residual support = 3.96: T QB CYS 50 - HB2 CYS 53 25.000% * 90.5222% (0.84 10.00 1.39 4.30) = 90.522% kept QE LYS+ 74 - HB2 CYS 53 25.000% * 6.7376% (0.78 1.00 1.11 1.11) = 6.738% kept HB3 ASN 69 - HB2 CYS 53 25.000% * 2.6969% (0.92 1.00 0.38 0.02) = 2.697% kept HB2 PHE 72 - HB2 CYS 53 25.000% * 0.0433% (0.28 1.00 0.02 0.02) = 0.043% Peak 2650 (1.26, 4.17, 63.73 ppm): 7 chemical-shift based assignments, quality = 0.812, support = 0.0514, residual support = 0.0645: T QG2 ILE 56 - HA CYS 53 14.286% * 43.9138% (0.88 10.00 0.02 0.12) = 43.914% kept HG3 LYS+ 38 - HA CYS 53 14.286% * 30.6247% (1.00 1.00 0.12 0.02) = 30.625% kept T HG13 ILE 19 - HA CYS 53 14.286% * 13.8354% (0.28 10.00 0.02 0.02) = 13.835% kept QB ALA 91 - HA CYS 53 14.286% * 3.8948% (0.78 1.00 0.02 0.02) = 3.895% kept QG2 THR 39 - HA CYS 53 14.286% * 3.8948% (0.78 1.00 0.02 0.02) = 3.895% kept QB ALA 34 - HA CYS 53 14.286% * 3.0181% (0.61 1.00 0.02 0.02) = 3.018% kept QG2 THR 23 - HA CYS 53 14.286% * 0.8184% (0.16 1.00 0.02 0.02) = 0.818% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2651 (8.10, 4.17, 63.73 ppm): 2 chemical-shift based assignments, quality = 0.322, support = 4.29, residual support = 38.0: O HN CYS 53 - HA CYS 53 50.000% * 99.0403% (0.32 10.0 4.34 38.40) = 99.040% kept HN THR 26 - HA CYS 53 50.000% * 0.9597% (0.38 1.0 0.17 0.02) = 0.960% Peak 2652 (8.10, 3.83, 34.62 ppm): 2 chemical-shift based assignments, quality = 0.322, support = 4.42, residual support = 38.0: O HN CYS 53 - HB2 CYS 53 50.000% * 99.0403% (0.32 10.0 4.46 38.40) = 99.040% kept HN THR 26 - HB2 CYS 53 50.000% * 0.9597% (0.38 1.0 0.17 0.02) = 0.960% Peak 2653 (7.86, 3.83, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.892, support = 4.19, residual support = 21.7: HN ARG+ 54 - HB2 CYS 53 25.000% * 79.1791% (0.92 5.04 27.19) = 79.179% kept HN ASP- 62 - HB2 CYS 53 25.000% * 15.8245% (0.88 1.05 0.84) = 15.824% kept HN LYS+ 38 - HB2 CYS 53 25.000% * 3.5227% (0.28 0.74 0.02) = 3.523% kept HN LEU 31 - HB2 CYS 53 25.000% * 1.4737% (0.78 0.11 0.02) = 1.474% kept Peak 2654 (7.87, 3.34, 34.62 ppm): 4 chemical-shift based assignments, quality = 0.694, support = 4.77, residual support = 24.1: HN ARG+ 54 - HB3 CYS 53 25.000% * 88.3184% (0.73 5.27 27.19) = 88.318% kept HN ASP- 62 - HB3 CYS 53 25.000% * 7.5094% (0.24 1.38 0.84) = 7.509% kept HN LYS+ 38 - HB3 CYS 53 25.000% * 3.7520% (0.92 0.18 0.02) = 3.752% kept HN LEU 31 - HB3 CYS 53 25.000% * 0.4202% (0.16 0.11 0.02) = 0.420% Peak 2655 (1.61, 3.34, 43.59 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 4.85, residual support = 116.0: O T HG3 ARG+ 54 - HD2 ARG+ 54 33.333% * 99.9547% (0.73 10.0 10.00 4.85 116.05) = 99.955% kept HB3 LEU 123 - HD2 ARG+ 54 33.333% * 0.0226% (0.16 1.0 1.00 0.02 0.30) = 0.023% QD LYS+ 33 - HD2 ARG+ 54 33.333% * 0.0226% (0.16 1.0 1.00 0.02 0.67) = 0.023% Peak 2656 (3.35, 3.25, 43.59 ppm): 5 chemical-shift based assignments, quality = 0.7, support = 3.65, residual support = 103.7: O T HD2 ARG+ 54 - HD3 ARG+ 54 20.000% * 86.7825% (0.73 10.0 10.00 3.79 116.05) = 86.783% kept HB3 CYS 53 - HD3 ARG+ 54 20.000% * 10.6477% (0.61 1.0 1.00 2.94 27.19) = 10.648% kept QB PHE 55 - HD3 ARG+ 54 20.000% * 2.4978% (0.20 1.0 1.00 2.11 4.02) = 2.498% kept HD3 PRO 93 - HD3 ARG+ 54 20.000% * 0.0388% (0.32 1.0 1.00 0.02 0.02) = 0.039% HD3 PRO 68 - HD3 ARG+ 54 20.000% * 0.0332% (0.28 1.0 1.00 0.02 0.97) = 0.033% Peak 2657 (3.24, 3.34, 43.59 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 3.78, residual support = 116.0: O T HD3 ARG+ 54 - HD2 ARG+ 54 50.000% * 99.9271% (1.00 10.0 10.00 3.79 116.05) = 99.927% kept HB3 HIS 22 - HD2 ARG+ 54 50.000% * 0.0729% (0.73 1.0 1.00 0.02 0.02) = 0.073% Peak 2658 (1.61, 3.25, 43.59 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 3.59, residual support = 116.0: O T HG3 ARG+ 54 - HD3 ARG+ 54 33.333% * 99.9547% (0.73 10.0 10.00 3.59 116.05) = 99.955% kept HB3 LEU 123 - HD3 ARG+ 54 33.333% * 0.0226% (0.16 1.0 1.00 0.02 0.30) = 0.023% QD LYS+ 33 - HD3 ARG+ 54 33.333% * 0.0226% (0.16 1.0 1.00 0.02 0.67) = 0.023% Peak 2659 (1.88, 3.25, 43.59 ppm): 12 chemical-shift based assignments, quality = 0.2, support = 3.59, residual support = 110.5: O HG2 ARG+ 54 - HD3 ARG+ 54 8.333% * 95.2025% (0.20 10.0 3.76 116.05) = 95.202% kept QB LYS+ 81 - HD3 ARG+ 54 8.333% * 1.8853% (0.61 1.0 0.13 0.02) = 1.885% kept QB LYS+ 33 - HD3 ARG+ 54 8.333% * 0.8074% (0.38 1.0 0.09 0.67) = 0.807% HB ILE 56 - HD3 ARG+ 54 8.333% * 0.4715% (0.98 1.0 0.02 0.42) = 0.472% HB3 LYS+ 38 - HD3 ARG+ 54 8.333% * 0.4018% (0.84 1.0 0.02 0.02) = 0.402% QB LYS+ 106 - HD3 ARG+ 54 8.333% * 0.3209% (0.67 1.0 0.02 0.02) = 0.321% HB3 GLN 30 - HD3 ARG+ 54 8.333% * 0.2627% (0.55 1.0 0.02 0.97) = 0.263% HB3 GLN 90 - HD3 ARG+ 54 8.333% * 0.2342% (0.49 1.0 0.02 0.02) = 0.234% HB2 MET 92 - HD3 ARG+ 54 8.333% * 0.1562% (0.32 1.0 0.02 0.02) = 0.156% HB3 ASP- 105 - HD3 ARG+ 54 8.333% * 0.1134% (0.24 1.0 0.02 0.02) = 0.113% HB ILE 103 - HD3 ARG+ 54 8.333% * 0.0791% (0.16 1.0 0.02 0.02) = 0.079% HG3 PRO 68 - HD3 ARG+ 54 8.333% * 0.0651% (0.14 1.0 0.02 0.97) = 0.065% Peak 2660 (2.04, 3.25, 43.59 ppm): 7 chemical-shift based assignments, quality = 0.509, support = 2.55, residual support = 104.6: O HB2 ARG+ 54 - HD3 ARG+ 54 14.286% * 90.0531% (0.49 10.0 2.75 116.05) = 90.053% kept HG3 GLN 30 - HD3 ARG+ 54 14.286% * 6.5700% (0.92 1.0 0.77 0.97) = 6.570% kept HB3 PRO 68 - HD3 ARG+ 54 14.286% * 2.7418% (0.38 1.0 0.79 0.97) = 2.742% kept HB3 GLU- 100 - HD3 ARG+ 54 14.286% * 0.1813% (0.98 1.0 0.02 0.02) = 0.181% HB ILE 119 - HD3 ARG+ 54 14.286% * 0.1708% (0.92 1.0 0.02 0.02) = 0.171% HB2 GLN 30 - HD3 ARG+ 54 14.286% * 0.1708% (0.92 1.0 0.02 0.97) = 0.171% HB VAL 108 - HD3 ARG+ 54 14.286% * 0.1122% (0.61 1.0 0.02 0.02) = 0.112% Peak 2661 (1.86, 1.60, 27.63 ppm): 10 chemical-shift based assignments, quality = 0.803, support = 3.06, residual support = 82.3: O T HG2 ARG+ 54 - HG3 ARG+ 54 10.000% * 70.7001% (0.84 10.0 10.00 3.97 116.05) = 70.700% kept T HG3 PRO 68 - HG3 ARG+ 54 10.000% * 27.7980% (0.73 1.0 10.00 0.90 0.97) = 27.798% kept QB LYS+ 33 - HG3 ARG+ 54 10.000% * 1.0639% (0.98 1.0 1.00 0.26 0.67) = 1.064% kept HB3 GLN 90 - HG3 ARG+ 54 10.000% * 0.0846% (1.00 1.0 1.00 0.02 0.02) = 0.085% QB LYS+ 81 - HG3 ARG+ 54 10.000% * 0.0830% (0.98 1.0 1.00 0.02 0.02) = 0.083% QB LYS+ 106 - HG3 ARG+ 54 10.000% * 0.0809% (0.96 1.0 1.00 0.02 0.02) = 0.081% HB3 ASP- 105 - HG3 ARG+ 54 10.000% * 0.0747% (0.88 1.0 1.00 0.02 0.02) = 0.075% HB ILE 103 - HG3 ARG+ 54 10.000% * 0.0663% (0.78 1.0 1.00 0.02 0.02) = 0.066% HB ILE 56 - HG3 ARG+ 54 10.000% * 0.0318% (0.38 1.0 1.00 0.02 0.42) = 0.032% HB3 LYS+ 38 - HG3 ARG+ 54 10.000% * 0.0168% (0.20 1.0 1.00 0.02 0.02) = 0.017% Peak 2662 (2.03, 1.60, 27.63 ppm): 9 chemical-shift based assignments, quality = 0.729, support = 0.668, residual support = 0.896: HG3 GLN 30 - HG3 ARG+ 54 11.111% * 48.3491% (0.78 0.93 0.97) = 48.349% kept HB3 PRO 68 - HG3 ARG+ 54 11.111% * 26.9073% (0.96 0.42 0.97) = 26.907% kept HB2 GLN 30 - HG3 ARG+ 54 11.111% * 13.0928% (0.32 0.61 0.97) = 13.093% kept HB2 LYS+ 111 - HG3 ARG+ 54 11.111% * 9.2499% (0.55 0.26 0.43) = 9.250% kept HB3 GLU- 100 - HG3 ARG+ 54 11.111% * 0.5694% (0.43 0.02 0.02) = 0.569% HB2 GLN 17 - HG3 ARG+ 54 11.111% * 0.5694% (0.43 0.02 0.02) = 0.569% QB GLU- 15 - HG3 ARG+ 54 11.111% * 0.5694% (0.43 0.02 0.02) = 0.569% HB ILE 119 - HG3 ARG+ 54 11.111% * 0.4304% (0.32 0.02 0.02) = 0.430% HB3 GLU- 25 - HG3 ARG+ 54 11.111% * 0.2623% (0.20 0.02 0.02) = 0.262% Peak 2663 (4.11, 1.60, 27.63 ppm): 7 chemical-shift based assignments, quality = 0.992, support = 4.5, residual support = 114.7: O HA ARG+ 54 - HG3 ARG+ 54 14.286% * 98.7962% (1.00 10.0 4.55 116.05) = 98.796% kept HA ASN 28 - HG3 ARG+ 54 14.286% * 1.0007% (0.38 1.0 0.54 0.02) = 1.001% kept HA ALA 124 - HG3 ARG+ 54 14.286% * 0.0944% (0.96 1.0 0.02 0.02) = 0.094% HA LYS+ 81 - HG3 ARG+ 54 14.286% * 0.0371% (0.38 1.0 0.02 0.02) = 0.037% HA LEU 115 - HG3 ARG+ 54 14.286% * 0.0321% (0.32 1.0 0.02 1.89) = 0.032% HA GLU- 36 - HG3 ARG+ 54 14.286% * 0.0233% (0.24 1.0 0.02 0.02) = 0.023% HA ALA 34 - HG3 ARG+ 54 14.286% * 0.0162% (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 = 0.546, support = 3.59, residual support = 116.0: O T HD3 ARG+ 54 - HG3 ARG+ 54 50.000% * 99.9752% (0.55 10.0 10.00 3.59 116.05) = 99.975% kept HB3 HIS 22 - HG3 ARG+ 54 50.000% * 0.0248% (0.14 1.0 1.00 0.02 0.02) = 0.025% Peak 2666 (3.35, 1.60, 27.63 ppm): 5 chemical-shift based assignments, quality = 0.688, support = 4.63, residual support = 99.7: O T HD2 ARG+ 54 - HG3 ARG+ 54 20.000% * 82.6382% (0.73 10.0 10.00 4.85 116.05) = 82.638% kept HB3 CYS 53 - HG3 ARG+ 54 20.000% * 13.5792% (0.61 1.0 1.00 3.93 27.19) = 13.579% kept QB PHE 55 - HG3 ARG+ 54 20.000% * 3.0259% (0.20 1.0 1.00 2.69 4.02) = 3.026% kept HD3 PRO 68 - HG3 ARG+ 54 20.000% * 0.7198% (0.28 1.0 1.00 0.45 0.97) = 0.720% HD3 PRO 93 - HG3 ARG+ 54 20.000% * 0.0369% (0.32 1.0 1.00 0.02 0.02) = 0.037% Peak 2667 (7.87, 1.60, 27.63 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 5.87, residual support = 105.0: HN ARG+ 54 - HG3 ARG+ 54 25.000% * 90.4400% (0.73 6.45 116.05) = 90.440% kept HN LYS+ 38 - HG3 ARG+ 54 25.000% * 6.6180% (0.92 0.37 0.02) = 6.618% kept HN ASP- 62 - HG3 ARG+ 54 25.000% * 2.8785% (0.24 0.63 0.02) = 2.878% kept HN LEU 31 - HG3 ARG+ 54 25.000% * 0.0636% (0.16 0.02 2.80) = 0.064% Peak 2668 (1.61, 1.86, 27.63 ppm): 6 chemical-shift based assignments, quality = 0.68, support = 3.7, residual support = 106.7: O T HG3 ARG+ 54 - HG2 ARG+ 54 16.667% * 91.9218% (0.73 10.0 10.00 3.97 116.05) = 91.922% kept T HB3 LEU 123 - HG2 ARG+ 54 16.667% * 7.5175% (0.16 1.0 10.00 0.72 0.30) = 7.518% kept T HG3 ARG+ 54 - HG3 PRO 68 16.667% * 0.2426% (0.19 1.0 10.00 0.02 0.97) = 0.243% T QD LYS+ 33 - HG2 ARG+ 54 16.667% * 0.2082% (0.16 1.0 10.00 0.02 0.67) = 0.208% T HB3 LEU 123 - HG3 PRO 68 16.667% * 0.0549% (0.04 1.0 10.00 0.02 0.02) = 0.055% T QD LYS+ 33 - HG3 PRO 68 16.667% * 0.0549% (0.04 1.0 10.00 0.02 0.02) = 0.055% Peak 2669 (2.02, 1.86, 27.63 ppm): 18 chemical-shift based assignments, quality = 0.306, support = 1.97, residual support = 18.5: O HB3 PRO 68 - HG3 PRO 68 5.556% * 57.7643% (0.18 10.0 2.13 25.45) = 57.764% kept O HG2 PRO 68 - HG3 PRO 68 5.556% * 14.2445% (0.04 10.0 3.45 25.45) = 14.244% kept HB3 PRO 68 - HG2 ARG+ 54 5.556% * 12.6108% (0.67 1.0 1.15 0.97) = 12.611% kept HB2 LYS+ 111 - HG2 ARG+ 54 5.556% * 11.0055% (1.00 1.0 0.67 0.43) = 11.006% kept HG3 GLN 30 - HG2 ARG+ 54 5.556% * 2.8162% (0.16 1.0 1.04 0.97) = 2.816% kept HB2 GLN 17 - HG2 ARG+ 54 5.556% * 0.3265% (1.00 1.0 0.02 0.02) = 0.327% QB GLU- 15 - HG2 ARG+ 54 5.556% * 0.3265% (1.00 1.0 0.02 0.02) = 0.327% HB3 GLU- 25 - HG2 ARG+ 54 5.556% * 0.2741% (0.84 1.0 0.02 0.02) = 0.274% QB GLU- 114 - HG2 ARG+ 54 5.556% * 0.1065% (0.32 1.0 0.02 0.02) = 0.107% HB2 LYS+ 111 - HG3 PRO 68 5.556% * 0.0862% (0.26 1.0 0.02 0.02) = 0.086% QB GLU- 15 - HG3 PRO 68 5.556% * 0.0862% (0.26 1.0 0.02 0.02) = 0.086% HB2 GLN 17 - HG3 PRO 68 5.556% * 0.0862% (0.26 1.0 0.02 0.02) = 0.086% HB ILE 19 - HG2 ARG+ 54 5.556% * 0.0774% (0.24 1.0 0.02 0.02) = 0.077% HB3 GLU- 25 - HG3 PRO 68 5.556% * 0.0723% (0.22 1.0 0.02 0.02) = 0.072% HG2 PRO 68 - HG2 ARG+ 54 5.556% * 0.0540% (0.16 1.0 0.02 0.97) = 0.054% QB GLU- 114 - HG3 PRO 68 5.556% * 0.0281% (0.09 1.0 0.02 0.02) = 0.028% HB ILE 19 - HG3 PRO 68 5.556% * 0.0204% (0.06 1.0 0.02 0.02) = 0.020% HG3 GLN 30 - HG3 PRO 68 5.556% * 0.0142% (0.04 1.0 0.02 0.02) = 0.014% Peak 2670 (3.35, 1.86, 27.63 ppm): 10 chemical-shift based assignments, quality = 0.636, support = 4.55, residual support = 93.6: O T HD2 ARG+ 54 - HG2 ARG+ 54 10.000% * 76.1831% (0.73 10.0 10.00 4.96 116.05) = 76.183% kept HB3 CYS 53 - HG2 ARG+ 54 10.000% * 11.3645% (0.61 1.0 1.00 3.57 27.19) = 11.365% kept O HD3 PRO 68 - HG3 PRO 68 10.000% * 7.6978% (0.07 10.0 1.00 3.89 25.45) = 7.698% kept QB PHE 55 - HG2 ARG+ 54 10.000% * 2.5141% (0.20 1.0 1.00 2.42 4.02) = 2.514% kept T HD2 ARG+ 54 - HG3 PRO 68 10.000% * 1.7465% (0.19 1.0 10.00 0.17 0.97) = 1.747% kept HB3 CYS 53 - HG3 PRO 68 10.000% * 0.3989% (0.16 1.0 1.00 0.48 0.02) = 0.399% HD3 PRO 93 - HG2 ARG+ 54 10.000% * 0.0341% (0.32 1.0 1.00 0.02 0.02) = 0.034% HD3 PRO 68 - HG2 ARG+ 54 10.000% * 0.0292% (0.28 1.0 1.00 0.02 0.97) = 0.029% QB PHE 55 - HG3 PRO 68 10.000% * 0.0228% (0.05 1.0 1.00 0.08 0.02) = 0.023% HD3 PRO 93 - HG3 PRO 68 10.000% * 0.0090% (0.09 1.0 1.00 0.02 0.02) = 0.009% Peak 2671 (3.27, 1.86, 27.63 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2672 (4.11, 1.86, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.979, support = 3.98, residual support = 113.1: O T HA ARG+ 54 - HG2 ARG+ 54 7.143% * 97.4747% (1.00 10.0 10.00 4.08 116.05) = 97.475% kept HA ASN 28 - HG2 ARG+ 54 7.143% * 1.2290% (0.38 1.0 1.00 0.67 0.02) = 1.229% kept T HA LYS+ 81 - HG2 ARG+ 54 7.143% * 0.3658% (0.38 1.0 10.00 0.02 0.02) = 0.366% T HA LEU 115 - HG2 ARG+ 54 7.143% * 0.3165% (0.32 1.0 10.00 0.02 1.89) = 0.316% T HA ARG+ 54 - HG3 PRO 68 7.143% * 0.2572% (0.26 1.0 10.00 0.02 0.97) = 0.257% T HA LYS+ 81 - HG3 PRO 68 7.143% * 0.0965% (0.10 1.0 10.00 0.02 0.02) = 0.097% HA ALA 124 - HG2 ARG+ 54 7.143% * 0.0932% (0.96 1.0 1.00 0.02 0.02) = 0.093% T HA LEU 115 - HG3 PRO 68 7.143% * 0.0835% (0.09 1.0 10.00 0.02 0.02) = 0.084% HA ALA 124 - HG3 PRO 68 7.143% * 0.0246% (0.25 1.0 1.00 0.02 0.02) = 0.025% HA GLU- 36 - HG2 ARG+ 54 7.143% * 0.0230% (0.24 1.0 1.00 0.02 0.02) = 0.023% HA ALA 34 - HG2 ARG+ 54 7.143% * 0.0160% (0.16 1.0 1.00 0.02 0.02) = 0.016% HA ASN 28 - HG3 PRO 68 7.143% * 0.0097% (0.10 1.0 1.00 0.02 0.02) = 0.010% HA GLU- 36 - HG3 PRO 68 7.143% * 0.0061% (0.06 1.0 1.00 0.02 0.02) = 0.006% HA ALA 34 - HG3 PRO 68 7.143% * 0.0042% (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 = 0.715, support = 5.3, residual support = 103.0: HN ARG+ 54 - HG2 ARG+ 54 12.500% * 88.7182% (0.73 5.91 116.05) = 88.718% kept HN LYS+ 38 - HG2 ARG+ 54 12.500% * 6.7628% (0.92 0.35 0.02) = 6.763% kept HN ARG+ 54 - HG3 PRO 68 12.500% * 3.0778% (0.19 0.78 0.97) = 3.078% kept HN ASP- 62 - HG2 ARG+ 54 12.500% * 1.2290% (0.24 0.25 0.02) = 1.229% kept HN LYS+ 38 - HG3 PRO 68 12.500% * 0.1007% (0.24 0.02 0.02) = 0.101% HN LEU 31 - HG2 ARG+ 54 12.500% * 0.0680% (0.16 0.02 2.80) = 0.068% HN ASP- 62 - HG3 PRO 68 12.500% * 0.0257% (0.06 0.02 0.02) = 0.026% HN LEU 31 - HG3 PRO 68 12.500% * 0.0179% (0.04 0.02 0.02) = 0.018% Peak 2674 (1.63, 1.95, 30.44 ppm): 5 chemical-shift based assignments, quality = 0.925, support = 0.368, residual support = 0.377: QD LYS+ 33 - HB3 ARG+ 54 20.000% * 30.5465% (0.92 0.45 0.67) = 30.547% kept HD3 LYS+ 111 - HB3 ARG+ 54 20.000% * 26.2356% (0.96 0.37 0.43) = 26.236% kept QB ALA 57 - HB3 ARG+ 54 20.000% * 23.8085% (0.92 0.35 0.02) = 23.808% kept HB3 LEU 123 - HB3 ARG+ 54 20.000% * 18.6897% (0.92 0.27 0.30) = 18.690% kept HD2 LYS+ 74 - HB3 ARG+ 54 20.000% * 0.7197% (0.49 0.02 0.02) = 0.720% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2675 (7.87, 1.95, 30.44 ppm): 4 chemical-shift based assignments, quality = 0.727, support = 4.2, residual support = 111.1: O HN ARG+ 54 - HB3 ARG+ 54 25.000% * 95.7434% (0.73 10.0 4.37 116.05) = 95.743% kept HN LYS+ 38 - HB3 ARG+ 54 25.000% * 3.3899% (0.92 1.0 0.56 0.02) = 3.390% kept HN ASP- 62 - HB3 ARG+ 54 25.000% * 0.8450% (0.24 1.0 0.54 0.02) = 0.845% HN LEU 31 - HB3 ARG+ 54 25.000% * 0.0217% (0.16 1.0 0.02 2.80) = 0.022% Peak 2676 (7.87, 2.05, 30.44 ppm): 4 chemical-shift based assignments, quality = 0.727, support = 5.78, residual support = 111.1: O HN ARG+ 54 - HB2 ARG+ 54 25.000% * 95.7434% (0.73 10.0 6.02 116.05) = 95.743% kept HN LYS+ 38 - HB2 ARG+ 54 25.000% * 3.3899% (0.92 1.0 0.56 0.02) = 3.390% kept HN ASP- 62 - HB2 ARG+ 54 25.000% * 0.8450% (0.24 1.0 0.54 0.02) = 0.845% HN LEU 31 - HB2 ARG+ 54 25.000% * 0.0217% (0.16 1.0 0.02 2.80) = 0.022% Peak 2677 (7.27, 4.11, 59.18 ppm): 6 chemical-shift based assignments, quality = 0.66, support = 0.499, residual support = 1.37: HN LYS+ 66 - HA ARG+ 54 16.667% * 57.9349% (0.96 0.50 0.13) = 57.935% kept QD PHE 60 - HA ARG+ 54 16.667% * 12.4167% (0.28 0.37 0.02) = 12.417% kept QE PHE 59 - HA LEU 115 16.667% * 10.7484% (0.10 0.89 11.88) = 10.748% kept QE PHE 59 - HA ARG+ 54 16.667% * 8.1936% (0.61 0.11 0.02) = 8.194% kept HN LYS+ 66 - HA LEU 115 16.667% * 5.9390% (0.16 0.31 0.18) = 5.939% kept QD PHE 60 - HA LEU 115 16.667% * 4.7674% (0.05 0.86 0.02) = 4.767% kept Peak 2678 (7.86, 4.11, 59.18 ppm): 8 chemical-shift based assignments, quality = 0.908, support = 5.76, residual support = 110.5: O HN ARG+ 54 - HA ARG+ 54 12.500% * 95.1887% (0.92 10.0 6.01 116.05) = 95.189% kept HN ASP- 62 - HA ARG+ 54 12.500% * 2.7761% (0.88 1.0 0.61 0.02) = 2.776% kept HN LYS+ 38 - HA ARG+ 54 12.500% * 1.9059% (0.28 1.0 1.33 0.02) = 1.906% kept HN LEU 31 - HA ARG+ 54 12.500% * 0.0807% (0.78 1.0 0.02 2.80) = 0.081% HN ARG+ 54 - HA LEU 115 12.500% * 0.0157% (0.15 1.0 0.02 1.89) = 0.016% HN ASP- 62 - HA LEU 115 12.500% * 0.0150% (0.15 1.0 0.02 0.02) = 0.015% HN LEU 31 - HA LEU 115 12.500% * 0.0133% (0.13 1.0 0.02 0.31) = 0.013% HN LYS+ 38 - HA LEU 115 12.500% * 0.0047% (0.05 1.0 0.02 0.02) = 0.005% Peak 2679 (7.61, 3.33, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 1.88, residual support = 6.59: HN ILE 56 - QB PHE 55 25.000% * 48.2452% (0.28 3.25 13.49) = 48.245% kept HD21 ASN 28 - QB PHE 55 25.000% * 29.1262% (0.92 0.59 0.18) = 29.126% kept HZ2 TRP 87 - QB PHE 55 25.000% * 22.1700% (0.67 0.62 0.14) = 22.170% kept HN LEU 63 - QB PHE 55 25.000% * 0.4586% (0.43 0.02 0.02) = 0.459% Peak 2680 (7.85, 3.33, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.488, support = 2.33, residual support = 12.1: O HN PHE 55 - QB PHE 55 25.000% * 86.5793% (0.49 10.0 2.41 13.64) = 86.579% kept HN ARG+ 54 - QB PHE 55 25.000% * 7.7738% (0.32 1.0 2.69 4.02) = 7.774% kept HN ASP- 62 - QB PHE 55 25.000% * 4.9186% (0.84 1.0 0.66 0.02) = 4.919% kept HN LEU 31 - QB PHE 55 25.000% * 0.7284% (0.92 1.0 0.09 0.13) = 0.728% Peak 2681 (7.29, 3.33, 38.95 ppm): 3 chemical-shift based assignments, quality = 0.755, support = 0.229, residual support = 0.2: QD PHE 60 - QB PHE 55 33.333% * 84.9227% (0.78 0.26 0.19) = 84.923% kept HN LYS+ 81 - QB PHE 55 33.333% * 8.2591% (0.98 0.02 0.44) = 8.259% kept HN LYS+ 66 - QB PHE 55 33.333% * 6.8182% (0.14 0.12 0.02) = 6.818% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2682 (7.61, 1.88, 41.57 ppm): 3 chemical-shift based assignments, quality = 0.944, support = 2.04, residual support = 4.07: HZ2 TRP 87 - HB ILE 56 33.333% * 53.7804% (1.00 2.07 5.03) = 53.780% kept HD21 ASN 28 - HB ILE 56 33.333% * 46.0749% (0.88 2.01 2.96) = 46.075% kept QE PHE 60 - HB ILE 56 33.333% * 0.1448% (0.28 0.02 0.22) = 0.145% Peak 2683 (7.34, 1.88, 41.57 ppm): 6 chemical-shift based assignments, quality = 0.447, support = 1.12, residual support = 5.68: QE PHE 95 - HB ILE 56 16.667% * 50.6102% (0.67 0.51 0.12) = 50.610% kept QD PHE 55 - HB ILE 56 16.667% * 41.6771% (0.14 2.06 13.49) = 41.677% kept HN LEU 67 - HB ILE 56 16.667% * 2.9335% (0.98 0.02 0.02) = 2.934% kept HN THR 23 - HB ILE 56 16.667% * 2.1732% (0.73 0.02 0.02) = 2.173% kept HD1 TRP 49 - HB ILE 56 16.667% * 1.6343% (0.55 0.02 0.02) = 1.634% kept HD2 HIS 22 - HB ILE 56 16.667% * 0.9716% (0.32 0.02 0.02) = 0.972% Peak 2684 (0.80, 1.88, 41.57 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 3.5, residual support = 79.8: O T QD1 ILE 56 - HB ILE 56 25.000% * 99.8252% (0.73 10.0 10.00 3.51 79.89) = 99.825% kept HG3 LYS+ 121 - HB ILE 56 25.000% * 0.1076% (0.78 1.0 1.00 0.02 0.02) = 0.108% QD2 LEU 73 - HB ILE 56 25.000% * 0.0446% (0.32 1.0 1.00 0.02 0.36) = 0.045% HG LEU 31 - HB ILE 56 25.000% * 0.0226% (0.16 1.0 1.00 0.02 0.12) = 0.023% Peak 2685 (0.80, 1.72, 31.79 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 3.4, residual support = 79.8: O T QD1 ILE 56 - QG1 ILE 56 25.000% * 99.8252% (0.73 10.0 10.00 3.40 79.89) = 99.825% kept HG3 LYS+ 121 - QG1 ILE 56 25.000% * 0.1076% (0.78 1.0 1.00 0.02 0.02) = 0.108% QD2 LEU 73 - QG1 ILE 56 25.000% * 0.0446% (0.32 1.0 1.00 0.02 0.36) = 0.045% HG LEU 31 - QG1 ILE 56 25.000% * 0.0226% (0.16 1.0 1.00 0.02 0.12) = 0.023% Peak 2686 (1.28, 0.79, 15.02 ppm): 4 chemical-shift based assignments, quality = 0.482, support = 3.95, residual support = 78.1: T QG2 ILE 56 - QD1 ILE 56 25.000% * 97.7725% (0.48 10.00 4.04 79.89) = 97.773% kept T QB ALA 34 - QD1 ILE 56 25.000% * 1.4955% (0.74 10.00 0.02 0.02) = 1.496% kept HG3 LYS+ 38 - QD1 ILE 56 25.000% * 0.5608% (0.25 1.00 0.23 0.02) = 0.561% QG2 THR 23 - QD1 ILE 56 25.000% * 0.1712% (0.84 1.00 0.02 0.02) = 0.171% Peak 2687 (1.43, 0.79, 15.02 ppm): 8 chemical-shift based assignments, quality = 0.71, support = 0.717, residual support = 0.426: QB ALA 110 - QD1 ILE 56 12.500% * 35.2213% (0.69 1.14 0.90) = 35.221% kept QB ALA 61 - QD1 ILE 56 12.500% * 22.3556% (0.88 0.57 0.28) = 22.356% kept HB3 LEU 67 - QD1 ILE 56 12.500% * 14.3180% (0.84 0.38 0.02) = 14.318% kept QG LYS+ 66 - QD1 ILE 56 12.500% * 12.2117% (0.64 0.43 0.02) = 12.212% kept HG LEU 73 - QD1 ILE 56 12.500% * 11.3780% (0.38 0.67 0.36) = 11.378% kept HG LEU 80 - QD1 ILE 56 12.500% * 3.7701% (0.74 0.11 0.02) = 3.770% kept HG12 ILE 19 - QD1 ILE 56 12.500% * 0.5260% (0.59 0.02 0.02) = 0.526% HG2 LYS+ 102 - QD1 ILE 56 12.500% * 0.2193% (0.25 0.02 0.02) = 0.219% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2688 (1.71, 0.79, 15.02 ppm): 5 chemical-shift based assignments, quality = 0.634, support = 3.07, residual support = 69.9: O T QG1 ILE 56 - QD1 ILE 56 20.000% * 87.4064% (0.69 10.0 10.00 3.40 79.89) = 87.406% kept T HB2 LEU 73 - QD1 ILE 56 20.000% * 12.3972% (0.25 1.0 10.00 0.80 0.36) = 12.397% kept QD LYS+ 99 - QD1 ILE 56 20.000% * 0.0677% (0.54 1.0 1.00 0.02 0.02) = 0.068% HB3 LYS+ 99 - QD1 ILE 56 20.000% * 0.0677% (0.54 1.0 1.00 0.02 0.02) = 0.068% QD LYS+ 106 - QD1 ILE 56 20.000% * 0.0610% (0.48 1.0 1.00 0.02 0.02) = 0.061% Peak 2689 (1.89, 0.79, 15.02 ppm): 5 chemical-shift based assignments, quality = 0.639, support = 2.34, residual support = 46.3: O T HB ILE 56 - QD1 ILE 56 20.000% * 57.3732% (0.48 10.0 10.00 3.51 79.89) = 57.373% kept T HB3 GLN 30 - QD1 ILE 56 20.000% * 39.8646% (0.87 1.0 10.00 0.77 1.05) = 39.865% kept HB3 PRO 58 - QD1 ILE 56 20.000% * 2.5770% (0.69 1.0 1.00 0.63 0.14) = 2.577% kept HB2 MET 92 - QD1 ILE 56 20.000% * 0.1030% (0.87 1.0 1.00 0.02 0.02) = 0.103% HB3 LYS+ 38 - QD1 ILE 56 20.000% * 0.0822% (0.69 1.0 1.00 0.02 0.02) = 0.082% Peak 2690 (3.46, 0.79, 15.02 ppm): 2 chemical-shift based assignments, quality = 0.588, support = 1.28, residual support = 3.89: T HA LYS+ 112 - QD1 ILE 56 50.000% * 99.9349% (0.59 10.00 1.28 3.89) = 99.935% kept HB2 HIS 122 - QD1 ILE 56 50.000% * 0.0651% (0.25 1.00 0.02 0.02) = 0.065% Peak 2691 (4.46, 0.79, 15.02 ppm): 3 chemical-shift based assignments, quality = 0.702, support = 1.99, residual support = 6.51: HA PHE 55 - QD1 ILE 56 33.333% * 44.5339% (0.54 2.90 13.49) = 44.534% kept HA ALA 110 - QD1 ILE 56 33.333% * 36.4446% (0.87 1.47 0.90) = 36.445% kept HA GLN 90 - QD1 ILE 56 33.333% * 19.0214% (0.78 0.85 0.91) = 19.021% kept Peak 2692 (6.90, 0.79, 15.02 ppm): 1 chemical-shift based assignment, quality = 0.641, support = 1.85, residual support = 4.85: HN LYS+ 65 - QD1 ILE 56 100.000% *100.0000% (0.64 1.85 4.85) = 100.000% kept Peak 2693 (7.23, 0.79, 15.02 ppm): 2 chemical-shift based assignments, quality = 0.735, support = 0.733, residual support = 4.91: HH2 TRP 87 - QD1 ILE 56 50.000% * 97.7342% (0.74 0.75 5.03) = 97.734% kept HN HIS 122 - QD1 ILE 56 50.000% * 2.2658% (0.64 0.02 0.02) = 2.266% kept Peak 2694 (7.39, 0.79, 15.02 ppm): 2 chemical-shift based assignments, quality = 0.509, support = 1.9, residual support = 8.59: HE21 GLN 90 - QD1 ILE 56 50.000% * 54.3362% (0.81 0.71 0.91) = 54.336% kept HN ALA 57 - QD1 ILE 56 50.000% * 45.6638% (0.15 3.33 17.73) = 45.664% kept Peak 2695 (7.61, 0.79, 15.02 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 2.51, residual support = 4.05: HZ2 TRP 87 - QD1 ILE 56 33.333% * 59.3056% (0.88 2.95 5.03) = 59.306% kept HD21 ASN 28 - QD1 ILE 56 33.333% * 35.8092% (0.78 2.02 2.96) = 35.809% kept QE PHE 60 - QD1 ILE 56 33.333% * 4.8851% (0.25 0.87 0.22) = 4.885% kept Peak 2696 (8.51, 0.79, 15.02 ppm): 2 chemical-shift based assignments, quality = 0.21, support = 1.59, residual support = 3.82: HN LYS+ 112 - QD1 ILE 56 50.000% * 98.0765% (0.21 1.62 3.89) = 98.076% kept HN ASP- 78 - QD1 ILE 56 50.000% * 1.9235% (0.33 0.02 0.02) = 1.924% kept Peak 2697 (3.18, 1.72, 31.79 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.118, residual support = 0.118: HB2 PHE 95 - QG1 ILE 56 100.000% *100.0000% (0.28 0.12 0.12) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2698 (3.35, 1.72, 31.79 ppm): 5 chemical-shift based assignments, quality = 0.601, support = 1.88, residual support = 5.74: QB PHE 55 - QG1 ILE 56 20.000% * 41.2876% (0.32 3.40 13.49) = 41.288% kept HD2 ARG+ 54 - QG1 ILE 56 20.000% * 34.1632% (0.88 1.03 0.42) = 34.163% kept HB3 CYS 53 - QG1 ILE 56 20.000% * 16.0990% (0.78 0.55 0.12) = 16.099% kept HD3 PRO 93 - QG1 ILE 56 20.000% * 8.1286% (0.49 0.45 0.11) = 8.129% kept HD3 PRO 68 - QG1 ILE 56 20.000% * 0.3215% (0.43 0.02 0.02) = 0.322% Peak 2699 (6.90, 1.72, 31.79 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 1.5, residual support = 4.85: HN LYS+ 65 - QG1 ILE 56 100.000% *100.0000% (0.73 1.50 4.85) = 100.000% kept Peak 2700 (7.21, 1.72, 31.79 ppm): 2 chemical-shift based assignments, quality = 0.197, support = 0.737, residual support = 4.94: HH2 TRP 87 - QG1 ILE 56 50.000% * 98.2090% (0.20 0.75 5.03) = 98.209% kept HN HIS 122 - QG1 ILE 56 50.000% * 1.7910% (0.14 0.02 0.02) = 1.791% kept Peak 2701 (7.61, 4.38, 60.23 ppm): 3 chemical-shift based assignments, quality = 0.931, support = 1.37, residual support = 3.97: HZ2 TRP 87 - HA ILE 56 33.333% * 51.6842% (1.00 1.39 5.03) = 51.684% kept HD21 ASN 28 - HA ILE 56 33.333% * 46.2171% (0.88 1.40 2.96) = 46.217% kept QE PHE 60 - HA ILE 56 33.333% * 2.0987% (0.28 0.20 0.22) = 2.099% kept Peak 2702 (3.81, 1.64, 16.31 ppm): 3 chemical-shift based assignments, quality = 0.882, support = 4.7, residual support = 18.4: T HD2 PRO 58 - QB ALA 57 33.333% * 98.8197% (0.88 10.00 4.75 18.57) = 98.820% kept T HA VAL 83 - QB ALA 57 33.333% * 1.0705% (0.96 10.00 0.02 0.02) = 1.071% kept HA GLU- 100 - QB ALA 57 33.333% * 0.1098% (0.98 1.00 0.02 0.02) = 0.110% Peak 2703 (7.44, 1.64, 16.31 ppm): 3 chemical-shift based assignments, quality = 0.293, support = 1.54, residual support = 2.35: HN ALA 120 - QB ALA 57 33.333% * 95.1340% (0.28 1.62 2.47) = 95.134% kept HN ALA 124 - QB ALA 57 33.333% * 2.8131% (0.67 0.02 0.02) = 2.813% kept HE21 GLN 17 - QB ALA 57 33.333% * 2.0530% (0.49 0.02 0.02) = 2.053% kept Peak 2704 (7.42, 4.26, 57.40 ppm): 3 chemical-shift based assignments, quality = 0.422, support = 3.2, residual support = 11.9: O HN ALA 57 - HA ALA 57 33.333% * 76.6881% (0.28 10.0 3.67 14.82) = 76.688% kept HN ALA 120 - HA ALA 57 33.333% * 22.0735% (0.92 1.0 1.73 2.47) = 22.073% kept HE21 GLN 116 - HA ALA 57 33.333% * 1.2384% (0.38 1.0 0.24 0.02) = 1.238% kept Peak 2705 (1.65, 4.26, 57.40 ppm): 7 chemical-shift based assignments, quality = 0.275, support = 2.43, residual support = 13.2: O T QB ALA 57 - HA ALA 57 14.286% * 89.2467% (0.24 10.0 10.00 2.67 14.82) = 89.247% kept HD2 LYS+ 74 - HA ALA 57 14.286% * 7.0267% (0.67 1.0 1.00 0.56 0.02) = 7.027% kept HB2 LYS+ 121 - HA ALA 57 14.286% * 2.0747% (0.84 1.0 1.00 0.13 0.02) = 2.075% kept HD3 LYS+ 111 - HA ALA 57 14.286% * 0.9405% (0.20 1.0 1.00 0.25 0.02) = 0.940% QD LYS+ 65 - HA ALA 57 14.286% * 0.2963% (0.78 1.0 1.00 0.02 0.02) = 0.296% HB VAL 83 - HA ALA 57 14.286% * 0.2525% (0.67 1.0 1.00 0.02 0.02) = 0.252% QD LYS+ 38 - HA ALA 57 14.286% * 0.1626% (0.43 1.0 1.00 0.02 0.64) = 0.163% Peak 2706 (8.06, 2.35, 31.07 ppm): 3 chemical-shift based assignments, quality = 0.989, support = 0.669, residual support = 0.96: HN GLN 32 - HB2 PRO 58 33.333% * 97.8736% (1.00 0.68 0.98) = 97.874% kept HN SER 85 - HB2 PRO 58 33.333% * 1.7385% (0.61 0.02 0.02) = 1.738% kept HN ALA 34 - HB2 PRO 58 33.333% * 0.3879% (0.14 0.02 0.02) = 0.388% Peak 2707 (7.26, 1.89, 31.07 ppm): 3 chemical-shift based assignments, quality = 0.371, support = 5.44, residual support = 29.2: O HN PHE 59 - HB3 PRO 58 33.333% * 85.8393% (0.32 10.0 6.07 29.22) = 85.839% kept QE PHE 59 - HB3 PRO 58 33.333% * 14.0644% (0.65 1.0 1.63 29.22) = 14.064% kept HN LYS+ 66 - HB3 PRO 58 33.333% * 0.0963% (0.36 1.0 0.02 0.02) = 0.096% Peak 2708 (3.81, 1.98, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 5.27, residual support = 137.1: O HD2 PRO 58 - HG3 PRO 58 33.333% * 99.7811% (0.88 10.0 5.28 137.38) = 99.781% kept HA GLU- 100 - HG3 PRO 58 33.333% * 0.1108% (0.98 1.0 0.02 0.02) = 0.111% HA VAL 83 - HG3 PRO 58 33.333% * 0.1081% (0.96 1.0 0.02 0.02) = 0.108% Peak 2709 (4.42, 1.98, 28.60 ppm): 7 chemical-shift based assignments, quality = 0.542, support = 4.47, residual support = 136.3: O HA PRO 58 - HG3 PRO 58 14.286% * 99.2491% (0.55 10.0 4.50 137.38) = 99.249% kept HA THR 46 - HG3 PRO 58 14.286% * 0.1678% (0.92 1.0 0.02 0.02) = 0.168% HA SER 37 - HG3 PRO 58 14.286% * 0.1518% (0.84 1.0 0.02 0.02) = 0.152% HA GLN 17 - HG3 PRO 58 14.286% * 0.1518% (0.84 1.0 0.02 0.02) = 0.152% HA GLU- 15 - HG3 PRO 58 14.286% * 0.1102% (0.61 1.0 0.02 0.02) = 0.110% HA SER 13 - HG3 PRO 58 14.286% * 0.1102% (0.61 1.0 0.02 0.02) = 0.110% HA LEU 40 - HG3 PRO 58 14.286% * 0.0590% (0.32 1.0 0.02 0.02) = 0.059% Peak 2710 (7.42, 3.81, 50.93 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 3.48, residual support = 9.19: HN ALA 120 - HD2 PRO 58 33.333% * 51.0017% (0.81 1.88 1.53) = 51.002% kept HN ALA 57 - HD2 PRO 58 33.333% * 45.2954% (0.25 5.54 18.57) = 45.295% kept HE21 GLN 116 - HD2 PRO 58 33.333% * 3.7030% (0.33 0.34 0.02) = 3.703% kept Peak 2711 (4.42, 3.72, 50.93 ppm): 7 chemical-shift based assignments, quality = 0.478, support = 6.3, residual support = 136.3: O HA PRO 58 - HD3 PRO 58 14.286% * 99.2491% (0.48 10.0 6.34 137.38) = 99.249% kept HA THR 46 - HD3 PRO 58 14.286% * 0.1678% (0.81 1.0 0.02 0.02) = 0.168% HA SER 37 - HD3 PRO 58 14.286% * 0.1518% (0.74 1.0 0.02 0.02) = 0.152% HA GLN 17 - HD3 PRO 58 14.286% * 0.1518% (0.74 1.0 0.02 0.02) = 0.152% HA GLU- 15 - HD3 PRO 58 14.286% * 0.1102% (0.54 1.0 0.02 0.02) = 0.110% HA SER 13 - HD3 PRO 58 14.286% * 0.1102% (0.54 1.0 0.02 0.02) = 0.110% HA LEU 40 - HD3 PRO 58 14.286% * 0.0590% (0.29 1.0 0.02 0.02) = 0.059% Peak 2712 (7.42, 3.72, 50.93 ppm): 3 chemical-shift based assignments, quality = 0.574, support = 2.67, residual support = 8.66: HN ALA 120 - HD3 PRO 58 33.333% * 57.8648% (0.81 1.68 1.53) = 57.865% kept HN ALA 57 - HD3 PRO 58 33.333% * 41.8557% (0.25 4.04 18.57) = 41.856% kept HE21 GLN 116 - HD3 PRO 58 33.333% * 0.2796% (0.33 0.02 0.02) = 0.280% Peak 2713 (1.64, 3.72, 50.93 ppm): 7 chemical-shift based assignments, quality = 0.737, support = 2.57, residual support = 15.8: QB ALA 57 - HD3 PRO 58 14.286% * 85.2142% (0.74 2.96 18.57) = 85.214% kept HD2 LYS+ 74 - HD3 PRO 58 14.286% * 12.2845% (0.87 0.36 0.02) = 12.285% kept HB2 LYS+ 121 - HD3 PRO 58 14.286% * 1.3073% (0.21 0.16 0.02) = 1.307% kept HD3 LYS+ 111 - HD3 PRO 58 14.286% * 0.5398% (0.69 0.02 0.02) = 0.540% HB3 LEU 123 - HD3 PRO 58 14.286% * 0.2588% (0.33 0.02 0.02) = 0.259% QD LYS+ 33 - HD3 PRO 58 14.286% * 0.2588% (0.33 0.02 0.02) = 0.259% QD LYS+ 65 - HD3 PRO 58 14.286% * 0.1365% (0.17 0.02 0.02) = 0.136% Peak 2714 (1.64, 3.81, 50.93 ppm): 7 chemical-shift based assignments, quality = 0.737, support = 4.57, residual support = 17.8: T QB ALA 57 - HD2 PRO 58 14.286% * 95.7689% (0.74 10.00 4.75 18.57) = 95.769% kept HD2 LYS+ 74 - HD2 PRO 58 14.286% * 2.3405% (0.87 1.00 0.42 0.02) = 2.340% kept HD3 LYS+ 111 - HD2 PRO 58 14.286% * 1.5787% (0.69 1.00 0.35 0.02) = 1.579% kept HB2 LYS+ 121 - HD2 PRO 58 14.286% * 0.2032% (0.21 1.00 0.15 0.02) = 0.203% HB3 LEU 123 - HD2 PRO 58 14.286% * 0.0430% (0.33 1.00 0.02 0.02) = 0.043% QD LYS+ 33 - HD2 PRO 58 14.286% * 0.0430% (0.33 1.00 0.02 0.02) = 0.043% QD LYS+ 65 - HD2 PRO 58 14.286% * 0.0227% (0.17 1.00 0.02 0.02) = 0.023% Peak 2715 (3.81, 3.72, 50.93 ppm): 3 chemical-shift based assignments, quality = 0.777, support = 7.09, residual support = 137.1: O T HD2 PRO 58 - HD3 PRO 58 33.333% * 99.7811% (0.78 10.0 10.00 7.11 137.38) = 99.781% kept HA GLU- 100 - HD3 PRO 58 33.333% * 0.1108% (0.87 1.0 1.00 0.02 0.02) = 0.111% HA VAL 83 - HD3 PRO 58 33.333% * 0.1081% (0.84 1.0 1.00 0.02 0.02) = 0.108% Peak 2716 (3.72, 3.81, 50.93 ppm): 3 chemical-shift based assignments, quality = 0.88, support = 7.09, residual support = 136.9: O T HD3 PRO 58 - HD2 PRO 58 33.333% * 99.6637% (0.88 10.0 10.00 7.11 137.38) = 99.664% kept HA VAL 75 - HD2 PRO 58 33.333% * 0.3199% (0.69 1.0 1.00 0.08 0.02) = 0.320% HA ALA 61 - HD2 PRO 58 33.333% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% Peak 2717 (7.24, 3.81, 50.93 ppm): 3 chemical-shift based assignments, quality = 0.462, support = 5.81, residual support = 26.7: HN PHE 59 - HD2 PRO 58 33.333% * 91.2365% (0.43 6.35 29.22) = 91.237% kept HH2 TRP 87 - HD2 PRO 58 33.333% * 5.2583% (0.78 0.20 0.02) = 5.258% kept HN HIS 122 - HD2 PRO 58 33.333% * 3.5052% (0.84 0.12 0.02) = 3.505% kept Peak 2718 (1.74, 3.16, 39.73 ppm): 3 chemical-shift based assignments, quality = 0.74, support = 1.07, residual support = 2.25: HB ILE 89 - HB3 PHE 59 33.333% * 65.5391% (0.96 1.14 2.29) = 65.539% kept HB3 LYS+ 99 - HB3 PHE 59 33.333% * 22.7665% (0.38 1.01 2.81) = 22.766% kept QG1 ILE 56 - HB3 PHE 59 33.333% * 11.6945% (0.24 0.82 0.95) = 11.694% kept Peak 2719 (2.43, 3.16, 39.73 ppm): 5 chemical-shift based assignments, quality = 0.666, support = 0.172, residual support = 1.3: HB3 ASP- 86 - HB3 PHE 59 20.000% * 40.7417% (0.73 0.20 0.02) = 40.742% kept QE LYS+ 112 - HB3 PHE 59 20.000% * 32.6448% (0.61 0.19 3.85) = 32.645% kept HB3 PHE 45 - HB3 PHE 59 20.000% * 20.5714% (0.61 0.12 0.15) = 20.571% kept HG2 GLU- 29 - HB3 PHE 59 20.000% * 5.1283% (0.92 0.02 0.02) = 5.128% kept HB3 ASP- 62 - HB3 PHE 59 20.000% * 0.9137% (0.16 0.02 1.23) = 0.914% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2720 (1.75, 3.32, 39.73 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 1.14, residual support = 2.29: HB ILE 89 - HB2 PHE 59 100.000% *100.0000% (0.38 1.14 2.29) = 100.000% kept Peak 2721 (7.23, 3.16, 39.73 ppm): 2 chemical-shift based assignments, quality = 0.823, support = 0.126, residual support = 0.0922: HH2 TRP 87 - HB3 PHE 59 50.000% * 88.9236% (0.84 0.14 0.10) = 88.924% kept HN HIS 122 - HB3 PHE 59 50.000% * 11.0764% (0.73 0.02 0.02) = 11.076% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2723 (7.25, 3.32, 39.73 ppm): 4 chemical-shift based assignments, quality = 0.972, support = 3.7, residual support = 41.0: O HN PHE 59 - HB2 PHE 59 25.000% * 94.1491% (1.00 10.0 3.84 41.35) = 94.149% kept QE PHE 59 - HB2 PHE 59 25.000% * 4.9823% (0.61 1.0 1.74 41.35) = 4.982% kept HN HIS 122 - HB2 PHE 59 25.000% * 0.8464% (0.32 1.0 0.55 0.02) = 0.846% HH2 TRP 87 - HB2 PHE 59 25.000% * 0.0222% (0.24 1.0 0.02 0.10) = 0.022% Peak 2724 (2.65, 4.35, 60.90 ppm): 2 chemical-shift based assignments, quality = 0.911, support = 0.716, residual support = 1.12: HB2 ASP- 62 - HA PHE 59 50.000% * 91.2051% (0.98 0.75 1.23) = 91.205% kept HB2 PRO 52 - HA PHE 59 50.000% * 8.7949% (0.20 0.36 0.02) = 8.795% kept Peak 2725 (2.48, 4.35, 60.90 ppm): 2 chemical-shift based assignments, quality = 0.452, support = 0.02, residual support = 0.02: HG2 GLU- 36 - HA PHE 59 50.000% * 69.8465% (0.55 0.02 0.02) = 69.847% kept HG3 MET 96 - HA PHE 59 50.000% * 30.1535% (0.24 0.02 0.02) = 30.153% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2726 (7.25, 4.35, 60.90 ppm): 4 chemical-shift based assignments, quality = 0.965, support = 4.04, residual support = 40.5: O HN PHE 59 - HA PHE 59 25.000% * 93.4411% (1.00 10.0 4.23 41.35) = 93.441% kept QE PHE 59 - HA PHE 59 25.000% * 4.5574% (0.61 1.0 1.61 41.35) = 4.557% kept HH2 TRP 87 - HA PHE 59 25.000% * 1.1626% (0.24 1.0 1.06 0.10) = 1.163% kept HN HIS 122 - HA PHE 59 25.000% * 0.8389% (0.32 1.0 0.55 0.02) = 0.839% Peak 2727 (8.20, 3.16, 39.73 ppm): 2 chemical-shift based assignments, quality = 0.617, support = 2.47, residual support = 5.94: HN PHE 60 - HB3 PHE 59 50.000% * 53.6473% (0.32 3.68 8.87) = 53.647% kept HN GLU- 15 - HB3 PHE 59 50.000% * 46.3527% (0.96 1.08 2.55) = 46.353% kept Peak 2729 (7.28, 3.92, 62.21 ppm): 3 chemical-shift based assignments, quality = 0.965, support = 3.67, residual support = 56.6: QD PHE 60 - HA PHE 60 33.333% * 94.3384% (1.00 3.86 59.96) = 94.338% kept HN LYS+ 66 - HA PHE 60 33.333% * 5.3637% (0.49 0.45 1.14) = 5.364% kept HN LYS+ 81 - HA PHE 60 33.333% * 0.2980% (0.61 0.02 0.02) = 0.298% Peak 2730 (8.20, 3.92, 62.21 ppm): 2 chemical-shift based assignments, quality = 0.481, support = 3.84, residual support = 45.8: O HN PHE 60 - HA PHE 60 50.000% * 75.2935% (0.32 10.0 4.37 59.96) = 75.294% kept HN GLU- 15 - HA PHE 60 50.000% * 24.7065% (0.96 1.0 2.23 2.79) = 24.706% kept Peak 2731 (7.73, 3.92, 62.21 ppm): 6 chemical-shift based assignments, quality = 0.641, support = 4.67, residual support = 21.0: O HN ALA 61 - HA PHE 60 16.667% * 94.9269% (0.67 10.0 4.85 22.06) = 94.927% kept HN THR 39 - HA PHE 60 16.667% * 2.0767% (0.20 1.0 1.47 1.12) = 2.077% kept HD1 TRP 87 - HA PHE 60 16.667% * 2.0112% (0.16 1.0 1.72 0.98) = 2.011% kept HN TRP 27 - HA PHE 60 16.667% * 0.8403% (0.98 1.0 0.12 0.02) = 0.840% HN ALA 91 - HA PHE 60 16.667% * 0.1114% (0.78 1.0 0.02 0.02) = 0.111% HE3 TRP 87 - HA PHE 60 16.667% * 0.0336% (0.24 1.0 0.02 0.98) = 0.034% Peak 2732 (4.29, 3.40, 40.02 ppm): 9 chemical-shift based assignments, quality = 0.843, support = 0.327, residual support = 0.125: HA SER 85 - HB2 PHE 60 11.111% * 21.5791% (0.96 0.35 0.02) = 21.579% kept HA ASP- 44 - HB2 PHE 60 11.111% * 21.1795% (1.00 0.33 0.02) = 21.180% kept HB THR 77 - HB2 PHE 60 11.111% * 14.9636% (0.96 0.24 0.02) = 14.964% kept HA MET 11 - HB2 PHE 60 11.111% * 14.1452% (1.00 0.22 0.02) = 14.145% kept HA ILE 103 - HB2 PHE 60 11.111% * 13.5227% (0.84 0.25 0.02) = 13.523% kept HA THR 39 - HB2 PHE 60 11.111% * 9.6116% (0.20 0.75 1.12) = 9.612% kept HA ASP- 86 - HB2 PHE 60 11.111% * 3.2698% (0.20 0.26 0.02) = 3.270% kept HA ALA 12 - HB2 PHE 60 11.111% * 1.3683% (0.24 0.09 0.02) = 1.368% kept HA GLU- 79 - HB2 PHE 60 11.111% * 0.3601% (0.28 0.02 0.02) = 0.360% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2733 (7.30, 3.40, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.545, support = 3.41, residual support = 59.9: O QD PHE 60 - HB2 PHE 60 50.000% * 99.8208% (0.55 10.0 3.41 59.96) = 99.821% kept HN LYS+ 81 - HB2 PHE 60 50.000% * 0.1792% (0.98 1.0 0.02 0.02) = 0.179% Peak 2734 (7.74, 3.40, 40.02 ppm): 5 chemical-shift based assignments, quality = 0.807, support = 1.41, residual support = 1.03: HN THR 39 - HB2 PHE 60 20.000% * 62.4067% (0.84 1.71 1.12) = 62.407% kept HD1 TRP 87 - HB2 PHE 60 20.000% * 34.0613% (0.78 1.00 0.98) = 34.061% kept HN TRP 27 - HB2 PHE 60 20.000% * 3.1832% (0.61 0.12 0.02) = 3.183% kept HN GLU- 36 - HB2 PHE 60 20.000% * 0.2054% (0.24 0.02 0.02) = 0.205% HN ALA 91 - HB2 PHE 60 20.000% * 0.1433% (0.16 0.02 0.02) = 0.143% Peak 2735 (8.20, 3.40, 40.02 ppm): 2 chemical-shift based assignments, quality = 0.479, support = 3.5, residual support = 46.0: O HN PHE 60 - HB2 PHE 60 50.000% * 75.5696% (0.32 10.0 3.92 59.96) = 75.570% kept HN GLU- 15 - HB2 PHE 60 50.000% * 24.4304% (0.96 1.0 2.20 2.79) = 24.430% kept Peak 2736 (0.58, 3.92, 62.21 ppm): 6 chemical-shift based assignments, quality = 0.871, support = 1.56, residual support = 2.69: QD1 LEU 63 - HA PHE 60 16.667% * 56.0857% (1.00 2.09 3.61) = 56.086% kept QD1 LEU 73 - HA PHE 60 16.667% * 20.1575% (1.00 0.75 1.28) = 20.158% kept QD2 LEU 63 - HA PHE 60 16.667% * 11.4258% (0.28 1.53 3.61) = 11.426% kept QD2 LEU 115 - HA PHE 60 16.667% * 9.9899% (0.67 0.56 0.02) = 9.990% kept QD2 LEU 80 - HA PHE 60 16.667% * 1.6564% (0.61 0.10 0.02) = 1.656% kept QD1 LEU 104 - HA PHE 60 16.667% * 0.6847% (0.28 0.09 0.02) = 0.685% Peak 2737 (1.35, 3.92, 62.21 ppm): 9 chemical-shift based assignments, quality = 0.827, support = 1.35, residual support = 3.57: T HB2 LEU 63 - HA PHE 60 11.111% * 98.9890% (0.84 10.00 1.36 3.61) = 98.989% kept QB ALA 124 - HA PHE 60 11.111% * 0.1733% (1.00 1.00 0.02 0.02) = 0.173% HB3 ASP- 44 - HA PHE 60 11.111% * 0.1665% (0.96 1.00 0.02 0.02) = 0.167% HG LEU 98 - HA PHE 60 11.111% * 0.1608% (0.92 1.00 0.02 0.02) = 0.161% QB ALA 84 - HA PHE 60 11.111% * 0.1363% (0.78 1.00 0.02 0.02) = 0.136% HB3 PRO 93 - HA PHE 60 11.111% * 0.1265% (0.73 1.00 0.02 0.02) = 0.126% HB3 LEU 80 - HA PHE 60 11.111% * 0.1162% (0.67 1.00 0.02 0.02) = 0.116% HB2 LEU 31 - HA PHE 60 11.111% * 0.0748% (0.43 1.00 0.02 0.02) = 0.075% HG2 LYS+ 111 - HA PHE 60 11.111% * 0.0565% (0.32 1.00 0.02 0.02) = 0.057% Peak 2739 (0.77, 3.74, 54.57 ppm): 5 chemical-shift based assignments, quality = 0.536, support = 0.7, residual support = 1.48: T QG1 VAL 41 - HA ALA 61 20.000% * 91.9370% (0.55 10.00 0.72 1.59) = 91.937% kept QD1 ILE 56 - HA ALA 61 20.000% * 5.0849% (0.32 1.00 0.67 0.28) = 5.085% kept QD2 LEU 73 - HA ALA 61 20.000% * 2.4170% (0.73 1.00 0.14 0.02) = 2.417% kept HG LEU 31 - HA ALA 61 20.000% * 0.4313% (0.92 1.00 0.02 0.02) = 0.431% QG1 VAL 43 - HA ALA 61 20.000% * 0.1299% (0.28 1.00 0.02 0.02) = 0.130% Peak 2740 (0.42, 3.74, 54.57 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02: QD1 LEU 115 - HA ALA 61 100.000% *100.0000% (0.28 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2741 (6.47, 3.74, 54.57 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 0.75, residual support = 3.15: HN ALA 64 - HA ALA 61 100.000% *100.0000% (0.67 0.75 3.15) = 100.000% kept Peak 2742 (7.74, 3.74, 54.57 ppm): 5 chemical-shift based assignments, quality = 0.792, support = 0.307, residual support = 0.242: HD1 TRP 87 - HA ALA 61 20.000% * 49.1935% (0.78 0.34 0.39) = 49.193% kept HN THR 39 - HA ALA 61 20.000% * 47.0380% (0.84 0.30 0.11) = 47.038% kept HN TRP 27 - HA ALA 61 20.000% * 2.2704% (0.61 0.02 0.02) = 2.270% kept HN GLU- 36 - HA ALA 61 20.000% * 0.8825% (0.24 0.02 0.02) = 0.882% HN ALA 91 - HA ALA 61 20.000% * 0.6157% (0.16 0.02 0.02) = 0.616% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2743 (7.27, 2.97, 40.02 ppm): 3 chemical-shift based assignments, quality = 0.494, support = 3.29, residual support = 54.5: O QD PHE 60 - HB3 PHE 60 33.333% * 89.8265% (0.49 10.0 3.49 59.96) = 89.827% kept QE PHE 59 - HB3 PHE 60 33.333% * 7.1787% (0.38 1.0 2.07 8.87) = 7.179% kept HN LYS+ 66 - HB3 PHE 60 33.333% * 2.9947% (1.00 1.0 0.33 1.14) = 2.995% kept Peak 2744 (8.21, 2.97, 40.02 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 1.48, residual support = 2.79: HN GLU- 15 - HB3 PHE 60 100.000% *100.0000% (0.67 1.48 2.79) = 100.000% kept Peak 2745 (7.75, 2.97, 40.02 ppm): 4 chemical-shift based assignments, quality = 0.855, support = 0.871, residual support = 1.02: HD1 TRP 87 - HB3 PHE 60 25.000% * 55.1409% (0.88 0.96 0.98) = 55.141% kept HN THR 39 - HB3 PHE 60 25.000% * 42.9260% (0.84 0.79 1.12) = 42.926% kept HN GLU- 36 - HB3 PHE 60 25.000% * 1.1457% (0.88 0.02 0.02) = 1.146% kept HN LYS+ 102 - HB3 PHE 60 25.000% * 0.7874% (0.61 0.02 0.02) = 0.787% Peak 2746 (4.12, 1.35, 18.25 ppm): 6 chemical-shift based assignments, quality = 0.688, support = 0.468, residual support = 0.896: T HA ASN 28 - QB ALA 84 16.667% * 64.2878% (0.77 10.00 0.54 1.37) = 64.288% kept T HA ALA 124 - QB ALA 84 16.667% * 27.6441% (0.50 10.00 0.35 0.02) = 27.644% kept HA ARG+ 54 - QB ALA 84 16.667% * 3.8022% (0.67 1.00 0.37 0.22) = 3.802% kept HA LEU 115 - QB ALA 84 16.667% * 2.7444% (0.72 1.00 0.25 0.02) = 2.744% kept HA ALA 34 - QB ALA 84 16.667% * 1.4422% (0.50 1.00 0.18 0.02) = 1.442% kept HA1 GLY 101 - QB ALA 84 16.667% * 0.0795% (0.26 1.00 0.02 0.02) = 0.079% Peak 2747 (4.31, 1.35, 18.25 ppm): 4 chemical-shift based assignments, quality = 0.682, support = 0.373, residual support = 0.302: HA ASP- 86 - QB ALA 84 25.000% * 86.4994% (0.67 0.43 0.35) = 86.499% kept HA LEU 104 - QB ALA 84 25.000% * 5.1385% (0.85 0.02 0.02) = 5.138% kept HA GLU- 14 - QB ALA 84 25.000% * 4.6495% (0.77 0.02 0.02) = 4.649% kept HA ALA 12 - QB ALA 84 25.000% * 3.7127% (0.62 0.02 0.02) = 3.713% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2748 (7.60, 1.35, 18.25 ppm): 4 chemical-shift based assignments, quality = 0.595, support = 1.05, residual support = 0.826: HD21 ASN 28 - QB ALA 84 25.000% * 48.5478% (0.72 1.26 1.37) = 48.548% kept HZ2 TRP 87 - QB ALA 84 25.000% * 27.7871% (0.45 1.16 0.49) = 27.787% kept HN LEU 63 - QB ALA 84 25.000% * 15.6232% (0.56 0.52 0.14) = 15.623% kept HN ILE 56 - QB ALA 84 25.000% * 8.0420% (0.40 0.38 0.02) = 8.042% kept Peak 2750 (8.06, 1.35, 18.25 ppm): 3 chemical-shift based assignments, quality = 0.564, support = 3.19, residual support = 12.0: HN SER 85 - QB ALA 84 33.333% * 87.2240% (0.56 3.58 13.80) = 87.224% kept HN GLN 32 - QB ALA 84 33.333% * 7.4181% (0.92 0.18 0.02) = 7.418% kept HN ALA 34 - QB ALA 84 33.333% * 5.3579% (0.12 0.99 0.02) = 5.358% kept Peak 2751 (7.46, 1.48, 18.41 ppm): 3 chemical-shift based assignments, quality = 0.602, support = 1.34, residual support = 5.36: HN LEU 123 - QB ALA 120 33.333% * 47.3833% (0.87 1.12 10.14) = 47.383% kept HE21 GLN 17 - QB ALA 120 33.333% * 28.8760% (0.43 1.38 0.61) = 28.876% kept HN ALA 124 - QB ALA 120 33.333% * 23.7408% (0.29 1.70 1.59) = 23.741% kept Peak 2752 (4.25, 1.48, 18.41 ppm): 5 chemical-shift based assignments, quality = 0.243, support = 1.25, residual support = 2.87: T HA SER 117 - QB ALA 120 20.000% * 98.9891% (0.25 10.00 1.26 2.90) = 98.989% kept HA ALA 57 - QB ALA 120 20.000% * 0.4990% (0.78 1.00 0.02 2.47) = 0.499% HA1 GLY 51 - QB ALA 120 20.000% * 0.2429% (0.38 1.00 0.02 0.02) = 0.243% HA THR 39 - QB ALA 120 20.000% * 0.1572% (0.25 1.00 0.02 0.02) = 0.157% HA GLU- 79 - QB ALA 120 20.000% * 0.1119% (0.17 1.00 0.02 0.02) = 0.112% Peak 2753 (7.73, 1.43, 17.92 ppm): 8 chemical-shift based assignments, quality = 0.917, support = 2.86, residual support = 11.0: O HN ALA 61 - QB ALA 61 12.500% * 97.5323% (0.92 10.0 2.92 11.32) = 97.532% kept HN TRP 27 - QB ALA 61 12.500% * 2.0882% (0.78 1.0 0.51 0.02) = 2.088% kept HN ALA 91 - QB ALA 61 12.500% * 0.1036% (0.98 1.0 0.02 0.02) = 0.104% HN ALA 91 - QB ALA 110 12.500% * 0.0693% (0.66 1.0 0.02 0.02) = 0.069% HN ALA 61 - QB ALA 110 12.500% * 0.0653% (0.62 1.0 0.02 0.02) = 0.065% HN TRP 27 - QB ALA 110 12.500% * 0.0554% (0.52 1.0 0.02 0.02) = 0.055% HE3 TRP 87 - QB ALA 61 12.500% * 0.0514% (0.49 1.0 0.02 0.39) = 0.051% HE3 TRP 87 - QB ALA 110 12.500% * 0.0344% (0.33 1.0 0.02 0.02) = 0.034% Peak 2754 (8.76, 1.42, 18.06 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 2.17, residual support = 6.7: O HN ALA 110 - QB ALA 110 25.000% * 99.8470% (0.73 10.0 2.18 6.71) = 99.847% kept HN ALA 110 - QB ALA 61 25.000% * 0.0669% (0.49 1.0 0.02 0.02) = 0.067% HN PHE 45 - QB ALA 110 25.000% * 0.0516% (0.38 1.0 0.02 0.19) = 0.052% HN PHE 45 - QB ALA 61 25.000% * 0.0346% (0.25 1.0 0.02 0.02) = 0.035% Peak 2755 (7.86, 1.43, 17.92 ppm): 8 chemical-shift based assignments, quality = 0.922, support = 2.45, residual support = 4.48: HN ASP- 62 - QB ALA 61 12.500% * 87.9902% (1.00 2.75 5.09) = 87.990% kept HN ARG+ 54 - QB ALA 110 12.500% * 6.3285% (0.49 0.40 0.02) = 6.329% kept HN ASP- 62 - QB ALA 110 12.500% * 2.1183% (0.67 0.10 0.02) = 2.118% kept HN PHE 55 - QB ALA 110 12.500% * 1.2884% (0.11 0.36 0.46) = 1.288% kept HN PHE 55 - QB ALA 61 12.500% * 0.7790% (0.16 0.15 0.02) = 0.779% HN LEU 31 - QB ALA 61 12.500% * 0.6157% (0.96 0.02 0.02) = 0.616% HN ARG+ 54 - QB ALA 61 12.500% * 0.4677% (0.73 0.02 0.02) = 0.468% HN LEU 31 - QB ALA 110 12.500% * 0.4123% (0.64 0.02 0.02) = 0.412% Peak 2756 (4.32, 2.65, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.754, support = 0.578, residual support = 0.548: HA LEU 104 - HB2 ASP- 62 20.000% * 55.5084% (1.00 0.66 0.63) = 55.508% kept HA ASP- 86 - HB2 ASP- 62 20.000% * 20.8234% (0.43 0.57 0.90) = 20.823% kept HA GLU- 14 - HB2 ASP- 62 20.000% * 19.4245% (0.55 0.42 0.02) = 19.424% kept HA TRP 87 - HB2 ASP- 62 20.000% * 3.6108% (0.16 0.26 0.25) = 3.611% kept HA ALA 12 - HB2 ASP- 62 20.000% * 0.6329% (0.38 0.02 0.02) = 0.633% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2757 (4.32, 2.45, 41.28 ppm): 5 chemical-shift based assignments, quality = 0.469, support = 1.19, residual support = 0.812: T HA ASP- 86 - HB3 ASP- 62 20.000% * 82.3473% (0.41 10.00 1.32 0.90) = 82.347% kept HA LEU 104 - HB3 ASP- 62 20.000% * 10.7590% (0.95 1.00 0.74 0.63) = 10.759% kept HA GLU- 14 - HB3 ASP- 62 20.000% * 3.7650% (0.52 1.00 0.47 0.02) = 3.765% kept HA ALA 12 - HB3 ASP- 62 20.000% * 1.9532% (0.36 1.00 0.36 0.02) = 1.953% kept HA TRP 87 - HB3 ASP- 62 20.000% * 1.1755% (0.16 1.00 0.49 0.25) = 1.175% kept 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): 4 chemical-shift based assignments, quality = 0.993, support = 3.54, residual support = 38.0: O HN ASP- 62 - HA ASP- 62 25.000% * 97.7250% (1.00 10.0 3.61 38.89) = 97.725% kept HN LEU 31 - HA ASP- 62 25.000% * 2.1875% (0.96 1.0 0.47 0.02) = 2.188% kept HN ARG+ 54 - HA ASP- 62 25.000% * 0.0713% (0.73 1.0 0.02 0.02) = 0.071% HN PHE 55 - HA ASP- 62 25.000% * 0.0162% (0.16 1.0 0.02 0.02) = 0.016% Peak 2760 (7.60, 2.65, 41.28 ppm): 6 chemical-shift based assignments, quality = 0.868, support = 4.29, residual support = 25.4: HN LEU 63 - HB2 ASP- 62 16.667% * 83.0413% (0.92 5.04 30.61) = 83.041% kept HN ILE 56 - HB2 ASP- 62 16.667% * 10.4843% (0.78 0.75 0.02) = 10.484% kept HD21 ASN 28 - HB2 ASP- 62 16.667% * 2.5634% (0.43 0.33 0.02) = 2.563% kept HZ2 TRP 87 - HB2 ASP- 62 16.667% * 2.0153% (0.20 0.57 0.25) = 2.015% kept HN LYS+ 111 - HB2 ASP- 62 16.667% * 1.8115% (0.24 0.43 0.02) = 1.812% kept HN ALA 84 - HB2 ASP- 62 16.667% * 0.0842% (0.24 0.02 0.02) = 0.084% Peak 2761 (7.87, 2.65, 41.28 ppm): 4 chemical-shift based assignments, quality = 0.426, support = 3.61, residual support = 37.9: O HN ASP- 62 - HB2 ASP- 62 25.000% * 97.5879% (0.43 10.0 3.68 38.89) = 97.588% kept HN LEU 31 - HB2 ASP- 62 25.000% * 2.0374% (0.32 1.0 0.55 0.02) = 2.037% kept HN ARG+ 54 - HB2 ASP- 62 25.000% * 0.2097% (0.92 1.0 0.02 0.02) = 0.210% HN LYS+ 38 - HB2 ASP- 62 25.000% * 0.1650% (0.73 1.0 0.02 0.02) = 0.165% Peak 2762 (7.60, 2.45, 41.28 ppm): 6 chemical-shift based assignments, quality = 0.791, support = 4.11, residual support = 23.8: HN LEU 63 - HB3 ASP- 62 16.667% * 77.7686% (0.88 5.04 30.61) = 77.769% kept HN ILE 56 - HB3 ASP- 62 16.667% * 9.8186% (0.75 0.75 0.02) = 9.819% kept HN LYS+ 111 - HB3 ASP- 62 16.667% * 5.5593% (0.23 1.41 0.02) = 5.559% kept HZ2 TRP 87 - HB3 ASP- 62 16.667% * 2.7829% (0.19 0.84 0.25) = 2.783% kept HD21 ASN 28 - HB3 ASP- 62 16.667% * 2.4006% (0.41 0.33 0.02) = 2.401% kept HN ALA 84 - HB3 ASP- 62 16.667% * 1.6700% (0.23 0.42 0.02) = 1.670% kept Peak 2763 (7.86, 2.45, 41.28 ppm): 4 chemical-shift based assignments, quality = 0.949, support = 3.6, residual support = 37.9: O HN ASP- 62 - HB3 ASP- 62 25.000% * 97.3597% (0.95 10.0 3.68 38.89) = 97.360% kept HN LEU 31 - HB3 ASP- 62 25.000% * 2.5531% (0.91 1.0 0.55 0.02) = 2.553% kept HN ARG+ 54 - HB3 ASP- 62 25.000% * 0.0711% (0.69 1.0 0.02 0.02) = 0.071% HN PHE 55 - HB3 ASP- 62 25.000% * 0.0161% (0.16 1.0 0.02 0.02) = 0.016% Peak 2764 (1.82, 3.50, 57.67 ppm): 9 chemical-shift based assignments, quality = 0.745, support = 1.62, residual support = 2.28: QB LYS+ 66 - HA LEU 63 11.111% * 51.8873% (1.00 1.59 3.71) = 51.887% kept QB LYS+ 65 - HA LEU 63 11.111% * 24.5164% (0.28 2.70 1.30) = 24.516% kept HG2 PRO 93 - HA LEU 63 11.111% * 17.8498% (0.78 0.70 0.18) = 17.850% kept HB2 LEU 71 - HA LEU 63 11.111% * 2.6909% (0.24 0.35 0.02) = 2.691% kept HG12 ILE 103 - HA LEU 63 11.111% * 1.8335% (0.67 0.08 0.02) = 1.834% kept HB VAL 41 - HA LEU 63 11.111% * 0.5773% (0.88 0.02 0.02) = 0.577% QB LYS+ 102 - HA LEU 63 11.111% * 0.2810% (0.43 0.02 0.02) = 0.281% HG LEU 123 - HA LEU 63 11.111% * 0.1819% (0.28 0.02 0.02) = 0.182% HB3 PRO 52 - HA LEU 63 11.111% * 0.1819% (0.28 0.02 0.49) = 0.182% Peak 2765 (7.29, 3.50, 57.67 ppm): 3 chemical-shift based assignments, quality = 0.738, support = 1.2, residual support = 2.74: HN LYS+ 81 - HA LEU 63 33.333% * 44.1362% (0.88 1.04 1.58) = 44.136% kept QD PHE 60 - HA LEU 63 33.333% * 31.5261% (0.92 0.71 3.61) = 31.526% kept HN LYS+ 66 - HA LEU 63 33.333% * 24.3377% (0.24 2.14 3.71) = 24.338% kept Peak 2766 (7.59, 3.50, 57.67 ppm): 5 chemical-shift based assignments, quality = 0.976, support = 7.06, residual support = 195.7: O HN LEU 63 - HA LEU 63 20.000% * 97.8646% (1.00 10.0 7.20 199.94) = 97.865% kept HD21 ASN 28 - HA LEU 63 20.000% * 1.1584% (0.20 1.0 1.19 2.19) = 1.158% kept HN ILE 56 - HA LEU 63 20.000% * 0.8812% (0.98 1.0 0.18 0.02) = 0.881% HN LYS+ 111 - HA LEU 63 20.000% * 0.0479% (0.49 1.0 0.02 0.35) = 0.048% HN ALA 84 - HA LEU 63 20.000% * 0.0479% (0.49 1.0 0.02 0.14) = 0.048% Peak 2767 (3.93, 1.34, 41.55 ppm): 7 chemical-shift based assignments, quality = 0.571, support = 1.23, residual support = 1.86: T HA PHE 60 - HB2 LEU 63 14.286% * 42.9831% (0.20 10.00 1.36 3.61) = 42.983% kept HA2 GLY 51 - HB2 LEU 63 14.286% * 23.4638% (0.92 1.00 1.59 0.80) = 23.464% kept HB THR 94 - HB2 LEU 63 14.286% * 12.1087% (0.73 1.00 1.04 0.48) = 12.109% kept QB SER 117 - HB2 LEU 63 14.286% * 11.4860% (0.96 1.00 0.75 0.52) = 11.486% kept HA LYS+ 121 - HB2 LEU 63 14.286% * 8.0872% (0.84 1.00 0.61 0.02) = 8.087% kept HA ALA 120 - HB2 LEU 63 14.286% * 1.6969% (0.24 1.00 0.45 0.02) = 1.697% kept QB SER 48 - HB2 LEU 63 14.286% * 0.1743% (0.55 1.00 0.02 0.02) = 0.174% Peak 2768 (6.48, 1.34, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 7.07, residual support = 45.1: HN ALA 64 - HB2 LEU 63 100.000% *100.0000% (0.28 7.07 45.07) = 100.000% kept Peak 2769 (6.99, 1.34, 41.55 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 2.1, residual support = 12.9: QE PHE 72 - HB2 LEU 63 50.000% * 99.8409% (0.98 2.11 12.89) = 99.841% kept HN ALA 47 - HB2 LEU 63 50.000% * 0.1591% (0.16 0.02 0.02) = 0.159% Peak 2770 (7.59, 1.34, 41.55 ppm): 5 chemical-shift based assignments, quality = 0.985, support = 7.48, residual support = 192.9: O HN LEU 63 - HB2 LEU 63 20.000% * 96.4735% (1.00 10.0 7.73 199.94) = 96.473% kept HN ILE 56 - HB2 LEU 63 20.000% * 2.3382% (0.98 1.0 0.49 0.02) = 2.338% kept HD21 ASN 28 - HB2 LEU 63 20.000% * 1.0940% (0.20 1.0 1.14 2.19) = 1.094% kept HN LYS+ 111 - HB2 LEU 63 20.000% * 0.0472% (0.49 1.0 0.02 0.35) = 0.047% HN ALA 84 - HB2 LEU 63 20.000% * 0.0472% (0.49 1.0 0.02 0.14) = 0.047% Peak 2771 (7.84, 1.34, 41.55 ppm): 4 chemical-shift based assignments, quality = 0.561, support = 3.75, residual support = 25.8: HN ASP- 62 - HB2 LEU 63 25.000% * 84.0463% (0.55 4.35 30.61) = 84.046% kept HN LEU 31 - HB2 LEU 63 25.000% * 15.3037% (0.67 0.65 0.34) = 15.304% kept HN PHE 55 - HB2 LEU 63 25.000% * 0.5542% (0.78 0.02 0.02) = 0.554% HN ARG+ 54 - HB2 LEU 63 25.000% * 0.0958% (0.14 0.02 0.02) = 0.096% Peak 2772 (6.48, 0.88, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 6.46, residual support = 45.1: HN ALA 64 - HB3 LEU 63 100.000% *100.0000% (0.28 6.46 45.07) = 100.000% kept Peak 2773 (6.72, 0.88, 41.55 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 2.52, residual support = 12.9: T HZ PHE 72 - HB3 LEU 63 100.000% *100.0000% (0.73 10.00 2.52 12.89) = 100.000% kept Peak 2774 (7.59, 0.88, 41.55 ppm): 5 chemical-shift based assignments, quality = 0.976, support = 7.13, residual support = 195.7: O HN LEU 63 - HB3 LEU 63 20.000% * 97.8764% (1.00 10.0 7.27 199.94) = 97.876% kept HD21 ASN 28 - HB3 LEU 63 20.000% * 1.1465% (0.20 1.0 1.18 2.19) = 1.147% kept HN ILE 56 - HB3 LEU 63 20.000% * 0.8813% (0.98 1.0 0.18 0.02) = 0.881% HN LYS+ 111 - HB3 LEU 63 20.000% * 0.0479% (0.49 1.0 0.02 0.35) = 0.048% HN ALA 84 - HB3 LEU 63 20.000% * 0.0479% (0.49 1.0 0.02 0.14) = 0.048% Peak 2775 (7.60, 1.06, 26.21 ppm): 4 chemical-shift based assignments, quality = 0.608, support = 5.32, residual support = 134.2: HN LEU 63 - HG LEU 63 25.000% * 66.7865% (0.55 7.28 199.94) = 66.786% kept HD21 ASN 28 - HG LEU 63 25.000% * 22.1861% (0.84 1.58 2.19) = 22.186% kept HZ2 TRP 87 - HG LEU 63 25.000% * 9.8746% (0.55 1.08 1.62) = 9.875% kept HN ILE 56 - HG LEU 63 25.000% * 1.1529% (0.38 0.18 0.02) = 1.153% kept Peak 2776 (3.94, 0.58, 26.34 ppm): 27 chemical-shift based assignments, quality = 0.687, support = 0.878, residual support = 0.413: HB THR 94 - QD1 LEU 63 3.704% * 28.9469% (0.92 1.07 0.48) = 28.947% kept HA LYS+ 121 - QD1 LEU 63 3.704% * 18.1992% (0.84 0.75 0.02) = 18.199% kept HA2 GLY 51 - QD1 LEU 63 3.704% * 17.7503% (0.73 0.84 0.80) = 17.750% kept QB SER 117 - QD1 LEU 63 3.704% * 14.7623% (0.32 1.56 0.52) = 14.762% kept HB THR 94 - QD1 LEU 73 3.704% * 5.1401% (0.92 0.19 0.02) = 5.140% kept QB SER 117 - QD1 LEU 73 3.704% * 4.1288% (0.32 0.44 0.02) = 4.129% kept HA LYS+ 65 - QD1 LEU 63 3.704% * 3.6583% (0.28 0.45 1.30) = 3.658% kept HA ALA 120 - QD1 LEU 63 3.704% * 2.0731% (0.88 0.08 0.02) = 2.073% kept HA ALA 120 - QD1 LEU 104 3.704% * 1.3761% (0.11 0.44 0.02) = 1.376% kept QB SER 48 - QD1 LEU 73 3.704% * 0.5807% (1.00 0.02 0.02) = 0.581% QB SER 48 - QD1 LEU 63 3.704% * 0.5807% (1.00 0.02 0.02) = 0.581% HA ALA 120 - QD1 LEU 73 3.704% * 0.5150% (0.88 0.02 0.02) = 0.515% HA LYS+ 121 - QD1 LEU 73 3.704% * 0.4875% (0.84 0.02 0.02) = 0.487% HA2 GLY 51 - QD1 LEU 73 3.704% * 0.4238% (0.73 0.02 0.02) = 0.424% QB SER 85 - QD1 LEU 63 3.704% * 0.2190% (0.38 0.02 0.02) = 0.219% HA2 GLY 16 - QD1 LEU 63 3.704% * 0.2190% (0.38 0.02 0.02) = 0.219% HA2 GLY 16 - QD1 LEU 73 3.704% * 0.2190% (0.38 0.02 0.02) = 0.219% QB SER 85 - QD1 LEU 73 3.704% * 0.2190% (0.38 0.02 0.02) = 0.219% HA LYS+ 65 - QD1 LEU 73 3.704% * 0.1623% (0.28 0.02 0.02) = 0.162% QB SER 48 - QD1 LEU 104 3.704% * 0.0698% (0.12 0.02 0.02) = 0.070% HB THR 94 - QD1 LEU 104 3.704% * 0.0648% (0.11 0.02 0.02) = 0.065% HA LYS+ 121 - QD1 LEU 104 3.704% * 0.0586% (0.10 0.02 0.02) = 0.059% HA2 GLY 51 - QD1 LEU 104 3.704% * 0.0509% (0.09 0.02 0.02) = 0.051% QB SER 85 - QD1 LEU 104 3.704% * 0.0263% (0.05 0.02 0.02) = 0.026% HA2 GLY 16 - QD1 LEU 104 3.704% * 0.0263% (0.05 0.02 0.02) = 0.026% QB SER 117 - QD1 LEU 104 3.704% * 0.0228% (0.04 0.02 0.02) = 0.023% HA LYS+ 65 - QD1 LEU 104 3.704% * 0.0195% (0.03 0.02 0.02) = 0.020% Peak 2777 (6.37, 0.58, 26.34 ppm): 6 chemical-shift based assignments, quality = 0.197, support = 1.29, residual support = 2.92: T HZ3 TRP 27 - QD1 LEU 63 16.667% * 60.0897% (0.20 10.00 1.50 3.06) = 60.090% kept T HZ3 TRP 27 - QD1 LEU 73 16.667% * 39.4822% (0.20 10.00 0.98 2.75) = 39.482% kept HZ PHE 45 - QD1 LEU 63 16.667% * 0.1974% (0.49 1.00 0.02 0.02) = 0.197% HZ PHE 45 - QD1 LEU 73 16.667% * 0.1974% (0.49 1.00 0.02 0.02) = 0.197% HZ PHE 45 - QD1 LEU 104 16.667% * 0.0237% (0.06 1.00 0.02 0.02) = 0.024% HZ3 TRP 27 - QD1 LEU 104 16.667% * 0.0096% (0.02 1.00 0.02 1.97) = 0.010% Not enough quality. Peak unassigned. Peak 2778 (7.28, 0.58, 26.34 ppm): 12 chemical-shift based assignments, quality = 0.662, support = 1.77, residual support = 2.4: QD PHE 60 - QD1 LEU 73 8.333% * 30.9878% (0.73 2.17 1.28) = 30.988% kept QD PHE 60 - QD1 LEU 63 8.333% * 28.2984% (0.73 1.98 3.61) = 28.298% kept HN LYS+ 66 - QD1 LEU 63 8.333% * 21.2499% (0.88 1.22 3.71) = 21.250% kept HN LYS+ 81 - QD1 LEU 73 8.333% * 8.1796% (0.24 1.76 0.86) = 8.180% kept HN LYS+ 81 - QD1 LEU 63 8.333% * 7.5107% (0.24 1.62 1.58) = 7.511% kept QE PHE 59 - QD1 LEU 73 8.333% * 2.1842% (0.20 0.56 0.22) = 2.184% kept QE PHE 59 - QD1 LEU 63 8.333% * 1.1451% (0.20 0.29 0.02) = 1.145% kept HN LYS+ 66 - QD1 LEU 73 8.333% * 0.3475% (0.88 0.02 0.02) = 0.348% HN LYS+ 66 - QD1 LEU 104 8.333% * 0.0418% (0.11 0.02 0.02) = 0.042% QD PHE 60 - QD1 LEU 104 8.333% * 0.0344% (0.09 0.02 0.02) = 0.034% HN LYS+ 81 - QD1 LEU 104 8.333% * 0.0112% (0.03 0.02 0.02) = 0.011% QE PHE 59 - QD1 LEU 104 8.333% * 0.0094% (0.02 0.02 0.02) = 0.009% Peak 2779 (7.60, 0.58, 26.34 ppm): 12 chemical-shift based assignments, quality = 0.636, support = 3.33, residual support = 80.7: HN LEU 63 - QD1 LEU 63 8.333% * 39.7804% (0.55 6.06 199.94) = 39.780% kept HD21 ASN 28 - QD1 LEU 63 8.333% * 19.3298% (0.84 1.92 2.19) = 19.330% kept HD21 ASN 28 - QD1 LEU 73 8.333% * 15.4002% (0.84 1.53 0.34) = 15.400% kept HZ2 TRP 87 - QD1 LEU 63 8.333% * 11.3059% (0.55 1.72 1.62) = 11.306% kept HN LEU 63 - QD1 LEU 73 8.333% * 7.3985% (0.55 1.13 6.67) = 7.398% kept HN ILE 56 - QD1 LEU 73 8.333% * 3.0388% (0.38 0.67 0.36) = 3.039% kept HZ2 TRP 87 - QD1 LEU 73 8.333% * 2.8548% (0.55 0.43 0.02) = 2.855% kept HN ILE 56 - QD1 LEU 63 8.333% * 0.8250% (0.38 0.18 0.02) = 0.825% HD21 ASN 28 - QD1 LEU 104 8.333% * 0.0241% (0.10 0.02 0.33) = 0.024% HZ2 TRP 87 - QD1 LEU 104 8.333% * 0.0158% (0.07 0.02 0.02) = 0.016% HN LEU 63 - QD1 LEU 104 8.333% * 0.0158% (0.07 0.02 0.14) = 0.016% HN ILE 56 - QD1 LEU 104 8.333% * 0.0108% (0.05 0.02 0.02) = 0.011% Peak 2782 (6.47, 2.84, 53.98 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 4.06, residual support = 20.2: O HN ALA 64 - HA ALA 64 100.000% *100.0000% (0.92 10.0 4.06 20.22) = 100.000% kept Peak 2783 (6.70, 2.84, 53.98 ppm): 3 chemical-shift based assignments, quality = 0.602, support = 3.05, residual support = 39.3: T QD PHE 72 - HA ALA 64 33.333% * 72.2813% (0.73 10.00 3.15 39.30) = 72.281% kept T HZ PHE 72 - HA ALA 64 33.333% * 27.6760% (0.28 10.00 2.78 39.30) = 27.676% kept QE PHE 45 - HA ALA 64 33.333% * 0.0428% (0.43 1.00 0.02 0.02) = 0.043% Peak 2785 (7.34, 2.84, 53.98 ppm): 6 chemical-shift based assignments, quality = 0.878, support = 0.733, residual support = 1.61: QE PHE 95 - HA ALA 64 16.667% * 45.6449% (0.96 0.86 2.66) = 45.645% kept HN LEU 67 - HA ALA 64 16.667% * 31.9909% (0.73 0.80 1.21) = 31.991% kept HN THR 23 - HA ALA 64 16.667% * 21.3799% (0.98 0.39 0.02) = 21.380% kept QD PHE 55 - HA ALA 64 16.667% * 0.4155% (0.38 0.02 0.02) = 0.416% HE3 TRP 27 - HA ALA 64 16.667% * 0.3078% (0.28 0.02 0.02) = 0.308% HD1 TRP 49 - HA ALA 64 16.667% * 0.2610% (0.24 0.02 0.02) = 0.261% Peak 2786 (0.76, 0.40, 18.57 ppm): 5 chemical-shift based assignments, quality = 0.727, support = 1.41, residual support = 7.86: QG2 VAL 18 - QB ALA 64 20.000% * 77.0620% (0.67 1.78 10.19) = 77.062% kept QG1 VAL 41 - QB ALA 64 20.000% * 11.1375% (0.98 0.18 0.02) = 11.137% kept QG1 VAL 43 - QB ALA 64 20.000% * 10.8625% (0.96 0.18 0.02) = 10.863% kept QG2 THR 46 - QB ALA 64 20.000% * 0.6319% (0.49 0.02 0.02) = 0.632% HG LEU 31 - QB ALA 64 20.000% * 0.3060% (0.24 0.02 0.02) = 0.306% Peak 2787 (1.44, 0.40, 18.57 ppm): 8 chemical-shift based assignments, quality = 0.838, support = 1.97, residual support = 3.94: HG LEU 73 - QB ALA 64 12.500% * 32.7581% (0.73 2.99 3.45) = 32.758% kept QG LYS+ 66 - QB ALA 64 12.500% * 26.1103% (0.96 1.81 7.92) = 26.110% kept HB3 LEU 67 - QB ALA 64 12.500% * 21.0393% (0.98 1.42 1.21) = 21.039% kept QB ALA 61 - QB ALA 64 12.500% * 15.3194% (0.84 1.21 3.15) = 15.319% kept HG12 ILE 19 - QB ALA 64 12.500% * 4.2961% (0.38 0.76 0.02) = 4.296% kept HG2 LYS+ 102 - QB ALA 64 12.500% * 0.1649% (0.55 0.02 0.02) = 0.165% HG LEU 80 - QB ALA 64 12.500% * 0.1649% (0.55 0.02 0.02) = 0.165% QB ALA 110 - QB ALA 64 12.500% * 0.1470% (0.49 0.02 0.02) = 0.147% Peak 2788 (1.44, 2.84, 53.98 ppm): 8 chemical-shift based assignments, quality = 0.883, support = 1.63, residual support = 4.23: QG LYS+ 66 - HA ALA 64 12.500% * 34.9622% (0.96 1.92 7.92) = 34.962% kept HB3 LEU 67 - HA ALA 64 12.500% * 30.4559% (0.98 1.63 1.21) = 30.456% kept HG LEU 73 - HA ALA 64 12.500% * 23.8518% (0.73 1.72 3.45) = 23.852% kept QB ALA 61 - HA ALA 64 12.500% * 8.5067% (0.84 0.53 3.15) = 8.507% kept HG12 ILE 19 - HA ALA 64 12.500% * 1.6207% (0.38 0.23 0.02) = 1.621% kept HG2 LYS+ 102 - HA ALA 64 12.500% * 0.2085% (0.55 0.02 0.02) = 0.208% HG LEU 80 - HA ALA 64 12.500% * 0.2085% (0.55 0.02 0.02) = 0.208% QB ALA 110 - HA ALA 64 12.500% * 0.1858% (0.49 0.02 0.02) = 0.186% Peak 2789 (2.28, 0.40, 18.57 ppm): 6 chemical-shift based assignments, quality = 0.543, support = 3.18, residual support = 39.1: T HB3 PHE 72 - QB ALA 64 16.667% * 99.3653% (0.55 10.00 3.20 39.30) = 99.365% kept QG GLU- 15 - QB ALA 64 16.667% * 0.1606% (0.88 1.00 0.02 0.02) = 0.161% QB MET 11 - QB ALA 64 16.667% * 0.1424% (0.78 1.00 0.02 0.02) = 0.142% HB2 ASP- 44 - QB ALA 64 16.667% * 0.1321% (0.73 1.00 0.02 0.02) = 0.132% QG GLU- 14 - QB ALA 64 16.667% * 0.1214% (0.67 1.00 0.02 0.02) = 0.121% QG GLN 90 - QB ALA 64 16.667% * 0.0782% (0.43 1.00 0.02 0.02) = 0.078% Peak 2790 (3.74, 0.40, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.953, support = 1.93, residual support = 2.45: HA ALA 61 - QB ALA 64 33.333% * 74.5238% (1.00 2.28 3.15) = 74.524% kept HD2 PRO 68 - QB ALA 64 33.333% * 25.3463% (0.84 0.92 0.44) = 25.346% kept HD3 PRO 58 - QB ALA 64 33.333% * 0.1299% (0.20 0.02 0.02) = 0.130% Peak 2791 (3.99, 0.40, 18.57 ppm): 8 chemical-shift based assignments, quality = 0.764, support = 3.08, residual support = 9.49: HA VAL 18 - QB ALA 64 12.500% * 93.0734% (0.78 3.30 10.19) = 93.073% kept HA SER 48 - QB ALA 64 12.500% * 3.0185% (0.88 0.09 0.02) = 3.018% kept HA LYS+ 33 - QB ALA 64 12.500% * 1.8347% (0.49 0.10 0.02) = 1.835% kept HB2 SER 82 - QB ALA 64 12.500% * 0.6360% (0.88 0.02 0.02) = 0.636% HA GLU- 29 - QB ALA 64 12.500% * 0.5233% (0.73 0.02 0.02) = 0.523% HA ALA 88 - QB ALA 64 12.500% * 0.3935% (0.55 0.02 0.02) = 0.394% HA GLN 32 - QB ALA 64 12.500% * 0.3508% (0.49 0.02 0.02) = 0.351% HD2 PRO 52 - QB ALA 64 12.500% * 0.1699% (0.24 0.02 0.02) = 0.170% Peak 2792 (4.44, 0.40, 18.57 ppm): 5 chemical-shift based assignments, quality = 0.244, support = 1.1, residual support = 1.52: T HA GLN 17 - QB ALA 64 20.000% * 93.0963% (0.20 10.00 1.17 1.63) = 93.096% kept HA VAL 42 - QB ALA 64 20.000% * 6.2415% (0.96 1.00 0.16 0.02) = 6.241% kept HA PHE 55 - QB ALA 64 20.000% * 0.3446% (0.43 1.00 0.02 0.02) = 0.345% HA GLN 90 - QB ALA 64 20.000% * 0.1588% (0.20 1.00 0.02 0.02) = 0.159% HA SER 37 - QB ALA 64 20.000% * 0.1588% (0.20 1.00 0.02 0.02) = 0.159% Peak 2793 (8.27, 0.40, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 2.71, residual support = 10.2: HN VAL 18 - QB ALA 64 100.000% *100.0000% (1.00 2.71 10.19) = 100.000% kept Peak 2795 (6.70, 0.40, 18.57 ppm): 3 chemical-shift based assignments, quality = 0.685, support = 5.53, residual support = 39.3: T QD PHE 72 - QB ALA 64 33.333% * 90.9163% (0.73 10.00 5.56 39.30) = 90.916% kept HZ PHE 72 - QB ALA 64 33.333% * 9.0299% (0.28 1.00 5.19 39.30) = 9.030% kept QE PHE 45 - QB ALA 64 33.333% * 0.0538% (0.43 1.00 0.02 0.02) = 0.054% Peak 2796 (6.48, 0.40, 18.57 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 4.06, residual support = 20.2: O HN ALA 64 - QB ALA 64 100.000% *100.0000% (0.28 10.0 4.06 20.22) = 100.000% kept Peak 2797 (6.92, 3.96, 58.29 ppm): 2 chemical-shift based assignments, quality = 0.456, support = 4.54, residual support = 106.9: O HN LYS+ 65 - HA LYS+ 65 50.000% * 99.9939% (0.46 10.0 4.54 106.91) = 99.994% kept HN LYS+ 65 - HA LYS+ 121 50.000% * 0.0061% (0.03 1.0 0.02 0.02) = 0.006% Peak 2798 (8.65, 3.96, 58.29 ppm): 6 chemical-shift based assignments, quality = 0.464, support = 0.0558, residual support = 0.02: HN GLY 16 - HA LYS+ 65 16.667% * 36.8452% (0.74 0.02 0.02) = 36.845% kept HN SER 117 - HA LYS+ 65 16.667% * 22.7992% (0.46 0.02 0.02) = 22.799% kept HN SER 82 - HA LYS+ 65 16.667% * 20.3224% (0.41 0.02 0.02) = 20.322% kept HN SER 117 - HA LYS+ 121 16.667% * 16.5317% (0.03 0.24 0.02) = 16.532% kept HN GLY 16 - HA LYS+ 121 16.667% * 2.2568% (0.05 0.02 0.02) = 2.257% kept HN SER 82 - HA LYS+ 121 16.667% * 1.2447% (0.02 0.02 0.02) = 1.245% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2799 (6.93, 0.40, 18.57 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2800 (6.97, 2.84, 53.98 ppm): 2 chemical-shift based assignments, quality = 0.401, support = 3.75, residual support = 36.4: QE PHE 72 - HA ALA 64 50.000% * 92.5575% (0.38 4.04 39.30) = 92.558% kept HD22 ASN 28 - HA ALA 64 50.000% * 7.4425% (0.73 0.17 0.02) = 7.442% kept Peak 2801 (4.21, 1.80, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.549, support = 1.38, residual support = 1.49: HA ASP- 62 - QB LYS+ 65 33.333% * 81.2890% (0.61 1.57 1.78) = 81.289% kept HB THR 26 - QB LYS+ 65 33.333% * 14.7224% (0.28 0.62 0.29) = 14.722% kept HA SER 82 - QB LYS+ 65 33.333% * 3.9886% (0.38 0.12 0.02) = 3.989% kept Peak 2802 (6.92, 1.80, 33.13 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 5.11, residual support = 106.9: O HN LYS+ 65 - QB LYS+ 65 100.000% *100.0000% (0.55 10.0 5.11 106.91) = 100.000% kept Peak 2803 (7.29, 1.80, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.579, support = 3.01, residual support = 12.4: HN LYS+ 66 - QB LYS+ 65 33.333% * 48.8045% (0.24 5.38 24.95) = 48.804% kept QD PHE 60 - QB LYS+ 65 33.333% * 30.8827% (0.92 0.87 0.48) = 30.883% kept HN LYS+ 81 - QB LYS+ 65 33.333% * 20.3128% (0.88 0.60 0.30) = 20.313% kept Peak 2804 (6.93, 1.50, 25.13 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2805 (3.97, 1.38, 25.13 ppm): 28 chemical-shift based assignments, quality = 0.678, support = 3.72, residual support = 85.1: O T HA LYS+ 65 - HG3 LYS+ 65 3.571% * 78.7989% (0.73 10.0 10.00 4.45 106.91) = 78.799% kept T HA LYS+ 65 - HG3 LYS+ 33 3.571% * 13.8571% (0.62 1.0 10.00 0.41 0.98) = 13.857% kept HA GLN 32 - HG3 LYS+ 33 3.571% * 5.5349% (0.37 1.0 1.00 2.78 13.33) = 5.535% kept T HA LYS+ 65 - HG3 LYS+ 102 3.571% * 0.6254% (0.58 1.0 10.00 0.02 0.02) = 0.625% T HA LYS+ 65 - HG3 LYS+ 106 3.571% * 0.2768% (0.26 1.0 10.00 0.02 0.02) = 0.277% HD2 PRO 52 - HG3 LYS+ 65 3.571% * 0.0788% (0.73 1.0 1.00 0.02 0.02) = 0.079% HD2 PRO 52 - HG3 LYS+ 33 3.571% * 0.0673% (0.62 1.0 1.00 0.02 0.02) = 0.067% QB SER 85 - HG3 LYS+ 65 3.571% * 0.0658% (0.61 1.0 1.00 0.02 0.02) = 0.066% HA2 GLY 16 - HG3 LYS+ 65 3.571% * 0.0658% (0.61 1.0 1.00 0.02 0.02) = 0.066% HD2 PRO 52 - HG3 LYS+ 102 3.571% * 0.0625% (0.58 1.0 1.00 0.02 0.02) = 0.063% HA2 GLY 16 - HG3 LYS+ 33 3.571% * 0.0562% (0.52 1.0 1.00 0.02 0.02) = 0.056% QB SER 85 - HG3 LYS+ 33 3.571% * 0.0562% (0.52 1.0 1.00 0.02 0.02) = 0.056% QB SER 85 - HG3 LYS+ 102 3.571% * 0.0522% (0.48 1.0 1.00 0.02 0.02) = 0.052% HA2 GLY 16 - HG3 LYS+ 102 3.571% * 0.0522% (0.48 1.0 1.00 0.02 0.02) = 0.052% HA GLN 32 - HG3 LYS+ 65 3.571% * 0.0466% (0.43 1.0 1.00 0.02 0.02) = 0.047% HA ALA 88 - HG3 LYS+ 65 3.571% * 0.0407% (0.38 1.0 1.00 0.02 0.02) = 0.041% HA GLN 32 - HG3 LYS+ 102 3.571% * 0.0370% (0.34 1.0 1.00 0.02 0.02) = 0.037% HA ALA 88 - HG3 LYS+ 33 3.571% * 0.0348% (0.32 1.0 1.00 0.02 0.02) = 0.035% HA ALA 88 - HG3 LYS+ 102 3.571% * 0.0323% (0.30 1.0 1.00 0.02 0.02) = 0.032% HD2 PRO 52 - HG3 LYS+ 106 3.571% * 0.0277% (0.26 1.0 1.00 0.02 0.02) = 0.028% HA2 GLY 16 - HG3 LYS+ 106 3.571% * 0.0231% (0.21 1.0 1.00 0.02 0.02) = 0.023% QB SER 85 - HG3 LYS+ 106 3.571% * 0.0231% (0.21 1.0 1.00 0.02 0.02) = 0.023% HA ALA 120 - HG3 LYS+ 65 3.571% * 0.0178% (0.16 1.0 1.00 0.02 0.02) = 0.018% HA GLN 32 - HG3 LYS+ 106 3.571% * 0.0164% (0.15 1.0 1.00 0.02 0.02) = 0.016% HA ALA 120 - HG3 LYS+ 33 3.571% * 0.0152% (0.14 1.0 1.00 0.02 0.02) = 0.015% HA ALA 88 - HG3 LYS+ 106 3.571% * 0.0143% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ALA 120 - HG3 LYS+ 102 3.571% * 0.0142% (0.13 1.0 1.00 0.02 0.02) = 0.014% HA ALA 120 - HG3 LYS+ 106 3.571% * 0.0063% (0.06 1.0 1.00 0.02 0.02) = 0.006% Peak 2806 (7.81, 1.38, 25.13 ppm): 8 chemical-shift based assignments, quality = 0.318, support = 1.51, residual support = 8.86: HN ASP- 105 - HG3 LYS+ 106 12.500% * 61.5043% (0.21 2.26 14.16) = 61.504% kept HN ASP- 105 - HG3 LYS+ 33 12.500% * 27.4052% (0.52 0.41 0.56) = 27.405% kept HN ASP- 105 - HG3 LYS+ 102 12.500% * 7.4076% (0.48 0.12 0.02) = 7.408% kept HN ASP- 105 - HG3 LYS+ 65 12.500% * 1.5508% (0.61 0.02 0.02) = 1.551% kept HN ALA 88 - HG3 LYS+ 65 12.500% * 0.7109% (0.28 0.02 0.02) = 0.711% HN ALA 88 - HG3 LYS+ 33 12.500% * 0.6071% (0.24 0.02 0.02) = 0.607% HN ALA 88 - HG3 LYS+ 102 12.500% * 0.5642% (0.22 0.02 0.02) = 0.564% HN ALA 88 - HG3 LYS+ 106 12.500% * 0.2498% (0.10 0.02 0.02) = 0.250% Peak 2807 (7.29, 4.07, 57.65 ppm): 3 chemical-shift based assignments, quality = 0.474, support = 3.41, residual support = 56.3: O HN LYS+ 66 - HA LYS+ 66 33.333% * 64.2457% (0.24 10.0 4.50 87.00) = 64.246% kept QD PHE 60 - HA LYS+ 66 33.333% * 17.9257% (0.92 1.0 1.43 1.14) = 17.926% kept HN LYS+ 81 - HA LYS+ 66 33.333% * 17.8287% (0.88 1.0 1.48 1.26) = 17.829% kept Peak 2808 (7.29, 1.82, 33.88 ppm): 3 chemical-shift based assignments, quality = 0.463, support = 3.34, residual support = 57.8: O HN LYS+ 66 - QB LYS+ 66 33.333% * 65.9503% (0.24 10.0 4.37 87.00) = 65.950% kept HN LYS+ 81 - QB LYS+ 66 33.333% * 17.0642% (0.88 1.0 1.38 1.26) = 17.064% kept QD PHE 60 - QB LYS+ 66 33.333% * 16.9854% (0.92 1.0 1.32 1.14) = 16.985% kept Peak 2809 (7.29, 1.44, 25.66 ppm): 3 chemical-shift based assignments, quality = 0.701, support = 2.28, residual support = 26.7: HN LYS+ 81 - QG LYS+ 66 33.333% * 42.8694% (0.88 1.67 1.26) = 42.869% kept HN LYS+ 66 - QG LYS+ 66 33.333% * 29.7130% (0.24 4.33 87.00) = 29.713% kept QD PHE 60 - QG LYS+ 66 33.333% * 27.4175% (0.92 1.02 1.14) = 27.418% kept Peak 2810 (7.29, 1.51, 29.56 ppm): 6 chemical-shift based assignments, quality = 0.627, support = 2.2, residual support = 34.8: HN LYS+ 66 - QD LYS+ 66 16.667% * 39.2006% (0.24 4.30 87.00) = 39.201% kept HN LYS+ 81 - QD LYS+ 66 16.667% * 29.9036% (0.88 0.88 1.26) = 29.904% kept QD PHE 60 - QD LYS+ 66 16.667% * 29.1944% (0.92 0.82 1.14) = 29.194% kept QD PHE 60 - HD2 LYS+ 121 16.667% * 1.6200% (0.09 0.48 0.43) = 1.620% kept HN LYS+ 81 - HD2 LYS+ 121 16.667% * 0.0642% (0.08 0.02 0.02) = 0.064% HN LYS+ 66 - HD2 LYS+ 121 16.667% * 0.0172% (0.02 0.02 0.02) = 0.017% Peak 2811 (1.45, 1.98, 42.52 ppm): 8 chemical-shift based assignments, quality = 0.229, support = 2.58, residual support = 27.3: O HG LEU 67 - HB2 LEU 67 12.500% * 48.5338% (0.24 10.0 1.00 3.14 30.56) = 48.534% kept O HB3 LEU 67 - HB2 LEU 67 12.500% * 37.4221% (0.18 10.0 1.00 2.18 30.56) = 37.422% kept QG LYS+ 66 - HB2 LEU 67 12.500% * 8.3200% (0.32 1.0 1.00 2.50 11.99) = 8.320% kept HG LEU 40 - HB2 LEU 67 12.500% * 2.7904% (0.32 1.0 1.00 0.84 0.02) = 2.790% kept HG LEU 73 - HB2 LEU 67 12.500% * 2.1497% (0.45 1.0 1.00 0.47 0.02) = 2.150% kept T HB3 LEU 115 - HB2 LEU 67 12.500% * 0.6650% (0.32 1.0 10.00 0.02 0.02) = 0.665% HG2 LYS+ 102 - HB2 LEU 67 12.500% * 0.0992% (0.48 1.0 1.00 0.02 0.02) = 0.099% QB ALA 61 - HB2 LEU 67 12.500% * 0.0197% (0.10 1.0 1.00 0.02 0.02) = 0.020% Peak 2812 (0.99, 1.98, 42.52 ppm): 5 chemical-shift based assignments, quality = 0.448, support = 1.58, residual support = 30.1: O QD1 LEU 67 - HB2 LEU 67 20.000% * 98.4839% (0.45 10.0 1.00 1.60 30.56) = 98.484% kept T QD2 LEU 40 - HB2 LEU 67 20.000% * 1.2738% (0.47 1.0 10.00 0.02 0.02) = 1.274% kept QG2 ILE 103 - HB2 LEU 67 20.000% * 0.1043% (0.38 1.0 1.00 0.02 0.02) = 0.104% HG3 LYS+ 74 - HB2 LEU 67 20.000% * 0.0808% (0.30 1.0 1.00 0.02 0.02) = 0.081% HB VAL 75 - HB2 LEU 67 20.000% * 0.0572% (0.21 1.0 1.00 0.02 0.02) = 0.057% Peak 2813 (5.01, 0.92, 24.07 ppm): 2 chemical-shift based assignments, quality = 0.502, support = 1.3, residual support = 15.3: HA ASP- 76 - QD2 LEU 67 50.000% * 54.2460% (0.73 0.75 2.49) = 54.246% kept HA LEU 67 - QD2 LEU 67 50.000% * 45.7540% (0.24 1.95 30.56) = 45.754% kept Peak 2814 (1.47, 0.98, 27.63 ppm): 6 chemical-shift based assignments, quality = 0.676, support = 1.75, residual support = 17.0: O HG LEU 67 - QD1 LEU 67 16.667% * 55.4336% (0.49 10.0 1.00 2.71 30.56) = 55.434% kept T HG LEU 115 - QD1 LEU 67 16.667% * 35.6283% (1.00 1.0 10.00 0.63 0.02) = 35.628% kept T HG LEU 40 - QD1 LEU 67 16.667% * 4.6087% (0.32 1.0 10.00 0.25 0.02) = 4.609% kept QB ALA 120 - QD1 LEU 67 16.667% * 2.3450% (1.00 1.0 1.00 0.41 0.02) = 2.345% kept HB3 LEU 40 - QD1 LEU 67 16.667% * 1.3831% (0.84 1.0 1.00 0.29 0.02) = 1.383% kept HB3 LEU 115 - QD1 LEU 67 16.667% * 0.6013% (0.32 1.0 1.00 0.33 0.02) = 0.601% Peak 2815 (1.99, 0.98, 27.63 ppm): 6 chemical-shift based assignments, quality = 0.763, support = 1.69, residual support = 11.6: HG2 PRO 68 - QD1 LEU 67 16.667% * 70.8191% (0.84 2.21 16.29) = 70.819% kept HB ILE 19 - QD1 LEU 67 16.667% * 10.5416% (0.73 0.38 0.40) = 10.542% kept QB GLU- 114 - QD1 LEU 67 16.667% * 9.4012% (0.61 0.40 0.02) = 9.401% kept HB2 LEU 115 - QD1 LEU 67 16.667% * 8.7374% (0.43 0.53 0.02) = 8.737% kept HG3 PRO 58 - QD1 LEU 67 16.667% * 0.3743% (0.49 0.02 0.02) = 0.374% HB3 GLU- 25 - QD1 LEU 67 16.667% * 0.1265% (0.16 0.02 0.02) = 0.126% Peak 2816 (0.93, 1.46, 26.01 ppm): 2 chemical-shift based assignments, quality = 0.723, support = 2.09, residual support = 30.4: O QD2 LEU 67 - HG LEU 67 50.000% * 99.5549% (0.73 10.0 1.00 2.10 30.56) = 99.555% kept T QD1 LEU 40 - HG LEU 67 50.000% * 0.4451% (0.32 1.0 10.00 0.02 0.02) = 0.445% Peak 2817 (0.63, 0.98, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 0.02: QG2 ILE 89 - QD1 LEU 67 50.000% * 71.8089% (0.96 0.02 0.02) = 71.809% kept QG1 VAL 83 - QD1 LEU 67 50.000% * 28.1911% (0.38 0.02 0.02) = 28.191% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2818 (6.71, 0.98, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.861, support = 2.43, residual support = 8.7: HZ PHE 72 - QD1 LEU 67 50.000% * 92.0857% (0.92 2.51 8.70) = 92.086% kept QD PHE 72 - QD1 LEU 67 50.000% * 7.9143% (0.14 1.47 8.70) = 7.914% kept Peak 2819 (7.00, 0.98, 27.63 ppm): 2 chemical-shift based assignments, quality = 0.636, support = 2.11, residual support = 7.23: QE PHE 72 - QD1 LEU 67 50.000% * 83.1428% (0.61 2.47 8.70) = 83.143% kept HN ALA 47 - QD1 LEU 67 50.000% * 16.8572% (0.78 0.39 0.02) = 16.857% kept Peak 2820 (4.10, 1.46, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.812, support = 0.54, residual support = 0.502: HA LYS+ 81 - HG LEU 67 25.000% * 63.6901% (0.98 0.55 0.67) = 63.690% kept HA ARG+ 54 - HG LEU 67 25.000% * 32.6725% (0.49 0.57 0.23) = 32.673% kept HA GLU- 36 - HG LEU 67 25.000% * 2.0717% (0.88 0.02 0.02) = 2.072% kept HA ALA 124 - HG LEU 67 25.000% * 1.5657% (0.67 0.02 0.02) = 1.566% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2821 (5.02, 1.46, 26.01 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 0.552, residual support = 2.49: HA ASP- 76 - HG LEU 67 100.000% *100.0000% (0.92 0.55 2.49) = 100.000% kept Peak 2822 (7.31, 1.46, 26.01 ppm): 3 chemical-shift based assignments, quality = 0.487, support = 1.0, residual support = 0.81: QD PHE 55 - HG LEU 67 33.333% * 70.6174% (0.61 0.91 0.89) = 70.617% kept HN LYS+ 81 - HG LEU 67 33.333% * 27.5185% (0.16 1.30 0.67) = 27.518% kept HE3 TRP 27 - HG LEU 67 33.333% * 1.8641% (0.73 0.02 0.02) = 1.864% kept Peak 2823 (1.99, 1.43, 42.52 ppm): 6 chemical-shift based assignments, quality = 0.645, support = 1.07, residual support = 3.21: T HB ILE 19 - HB3 LEU 67 16.667% * 75.4334% (0.64 10.00 0.92 0.40) = 75.433% kept HG2 PRO 68 - HB3 LEU 67 16.667% * 17.8809% (0.74 1.00 1.90 16.29) = 17.881% kept HB2 LEU 115 - HB3 LEU 67 16.667% * 3.5067% (0.38 1.00 0.72 0.02) = 3.507% kept QB GLU- 114 - HB3 LEU 67 16.667% * 3.0322% (0.54 1.00 0.44 0.02) = 3.032% kept HG3 PRO 58 - HB3 LEU 67 16.667% * 0.1097% (0.43 1.00 0.02 0.02) = 0.110% HB3 GLU- 25 - HB3 LEU 67 16.667% * 0.0371% (0.15 1.00 0.02 0.02) = 0.037% Peak 2824 (5.03, 1.43, 42.52 ppm): 1 chemical-shift based assignment, quality = 0.245, support = 1.3, residual support = 2.49: HA ASP- 76 - HB3 LEU 67 100.000% *100.0000% (0.25 1.30 2.49) = 100.000% kept Peak 2825 (7.36, 1.43, 42.52 ppm): 4 chemical-shift based assignments, quality = 0.284, support = 3.59, residual support = 28.4: O HN LEU 67 - HB3 LEU 67 25.000% * 92.8249% (0.25 10.0 3.84 30.56) = 92.825% kept HD2 HIS 22 - HB3 LEU 67 25.000% * 6.6714% (0.84 1.0 0.42 0.02) = 6.671% kept HD1 TRP 49 - HB3 LEU 67 25.000% * 0.2613% (0.69 1.0 0.02 0.02) = 0.261% HD21 ASN 35 - HB3 LEU 67 25.000% * 0.2424% (0.64 1.0 0.02 0.02) = 0.242% Peak 2826 (5.01, 1.98, 42.52 ppm): 2 chemical-shift based assignments, quality = 0.155, support = 2.36, residual support = 25.9: O HA LEU 67 - HB2 LEU 67 50.000% * 83.2929% (0.11 10.0 2.58 30.56) = 83.293% kept HA ASP- 76 - HB2 LEU 67 50.000% * 16.7071% (0.35 1.0 1.30 2.49) = 16.707% kept Peak 2827 (7.00, 1.98, 42.52 ppm): 2 chemical-shift based assignments, quality = 0.31, support = 1.9, residual support = 7.21: QE PHE 72 - HB2 LEU 67 50.000% * 82.8820% (0.30 2.22 8.70) = 82.882% kept HN ALA 47 - HB2 LEU 67 50.000% * 17.1180% (0.38 0.36 0.02) = 17.118% kept Peak 2828 (7.35, 1.98, 42.52 ppm): 6 chemical-shift based assignments, quality = 0.448, support = 4.01, residual support = 30.5: O HN LEU 67 - HB2 LEU 67 16.667% * 99.7423% (0.45 10.0 4.02 30.56) = 99.742% kept HD1 TRP 49 - HB2 LEU 67 16.667% * 0.0954% (0.43 1.0 0.02 0.02) = 0.095% HD2 HIS 22 - HB2 LEU 67 16.667% * 0.0721% (0.32 1.0 0.02 0.02) = 0.072% HN THR 23 - HB2 LEU 67 16.667% * 0.0406% (0.18 1.0 0.02 0.02) = 0.041% QE PHE 95 - HB2 LEU 67 16.667% * 0.0351% (0.16 1.0 0.02 0.02) = 0.035% HD21 ASN 35 - HB2 LEU 67 16.667% * 0.0146% (0.07 1.0 0.02 0.02) = 0.015% Peak 2831 (6.72, 1.98, 42.52 ppm): 1 chemical-shift based assignment, quality = 0.353, support = 2.25, residual support = 8.7: T HZ PHE 72 - HB2 LEU 67 100.000% *100.0000% (0.35 10.00 2.25 8.70) = 100.000% kept Peak 2832 (3.78, 2.11, 31.99 ppm): 4 chemical-shift based assignments, quality = 0.447, support = 3.83, residual support = 56.2: O T HA VAL 24 - HB VAL 24 25.000% * 98.7700% (0.45 10.0 10.00 3.87 56.88) = 98.770% kept T HA VAL 24 - HB2 PRO 68 25.000% * 0.9709% (0.44 1.0 10.00 0.02 0.02) = 0.971% HA LYS+ 38 - HB VAL 24 25.000% * 0.1307% (0.60 1.0 1.00 0.02 0.02) = 0.131% HA LYS+ 38 - HB2 PRO 68 25.000% * 0.1285% (0.59 1.0 1.00 0.02 0.02) = 0.128% Peak 2833 (1.11, 2.11, 31.99 ppm): 10 chemical-shift based assignments, quality = 0.559, support = 3.16, residual support = 56.1: O T QG1 VAL 24 - HB VAL 24 10.000% * 98.5435% (0.57 10.0 10.00 3.21 56.88) = 98.543% kept T QG1 VAL 24 - HB2 PRO 68 10.000% * 0.9686% (0.56 1.0 10.00 0.02 0.02) = 0.969% HD3 LYS+ 112 - HB VAL 24 10.000% * 0.1128% (0.65 1.0 1.00 0.02 0.02) = 0.113% HD3 LYS+ 112 - HB2 PRO 68 10.000% * 0.1109% (0.64 1.0 1.00 0.02 0.02) = 0.111% HB3 LEU 31 - HB VAL 24 10.000% * 0.0507% (0.29 1.0 1.00 0.02 0.02) = 0.051% HB3 LEU 31 - HB2 PRO 68 10.000% * 0.0498% (0.29 1.0 1.00 0.02 0.02) = 0.050% HG13 ILE 119 - HB VAL 24 10.000% * 0.0443% (0.25 1.0 1.00 0.02 0.02) = 0.044% HG13 ILE 119 - HB2 PRO 68 10.000% * 0.0435% (0.25 1.0 1.00 0.02 0.02) = 0.044% QG1 VAL 107 - HB VAL 24 10.000% * 0.0383% (0.22 1.0 1.00 0.02 0.02) = 0.038% QG1 VAL 107 - HB2 PRO 68 10.000% * 0.0376% (0.22 1.0 1.00 0.02 0.02) = 0.038% Peak 2834 (8.80, 2.11, 31.99 ppm): 8 chemical-shift based assignments, quality = 0.283, support = 4.03, residual support = 16.6: O HN ASN 69 - HB2 PRO 68 12.500% * 47.4725% (0.09 10.0 4.91 16.04) = 47.472% kept HN ASN 28 - HB VAL 24 12.500% * 35.3774% (0.63 1.0 2.15 10.78) = 35.377% kept HN GLU- 25 - HB VAL 24 12.500% * 16.5803% (0.11 1.0 5.65 31.01) = 16.580% kept HN ASN 28 - HB2 PRO 68 12.500% * 0.3238% (0.62 1.0 0.02 0.02) = 0.324% HN ASP- 44 - HB VAL 24 12.500% * 0.0706% (0.13 1.0 0.02 0.02) = 0.071% HN ASP- 44 - HB2 PRO 68 12.500% * 0.0694% (0.13 1.0 0.02 0.02) = 0.069% HN GLU- 25 - HB2 PRO 68 12.500% * 0.0577% (0.11 1.0 0.02 0.02) = 0.058% HN ASN 69 - HB VAL 24 12.500% * 0.0483% (0.09 1.0 0.02 0.02) = 0.048% Peak 2835 (9.23, 2.11, 31.99 ppm): 2 chemical-shift based assignments, quality = 0.134, support = 4.22, residual support = 56.8: O HN VAL 24 - HB VAL 24 50.000% * 99.9018% (0.13 10.0 4.22 56.88) = 99.902% kept HN VAL 24 - HB2 PRO 68 50.000% * 0.0982% (0.13 1.0 0.02 0.02) = 0.098% Peak 2836 (3.34, 1.98, 27.31 ppm): 6 chemical-shift based assignments, quality = 0.284, support = 3.27, residual support = 24.9: O HD3 PRO 68 - HG2 PRO 68 16.667% * 97.7879% (0.29 10.0 3.34 25.45) = 97.788% kept HD3 PRO 93 - HG2 PRO 68 16.667% * 1.3258% (0.31 1.0 0.25 0.02) = 1.326% kept HB3 CYS 53 - HG2 PRO 68 16.667% * 0.6314% (0.41 1.0 0.09 0.02) = 0.631% HD2 ARG+ 54 - HG2 PRO 68 16.667% * 0.1459% (0.43 1.0 0.02 0.97) = 0.146% QB PHE 55 - HG2 PRO 68 16.667% * 0.0801% (0.23 1.0 0.02 0.02) = 0.080% HB2 PHE 59 - HG2 PRO 68 16.667% * 0.0290% (0.09 1.0 0.02 0.02) = 0.029% Peak 2837 (3.75, 1.98, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.358, support = 3.39, residual support = 25.4: O HD2 PRO 68 - HG2 PRO 68 33.333% * 99.8959% (0.36 10.0 3.40 25.45) = 99.896% kept HA ALA 61 - HG2 PRO 68 33.333% * 0.0653% (0.23 1.0 0.02 0.02) = 0.065% HA VAL 24 - HG2 PRO 68 33.333% * 0.0388% (0.14 1.0 0.02 0.02) = 0.039% Peak 2838 (3.34, 1.86, 27.31 ppm): 12 chemical-shift based assignments, quality = 0.575, support = 3.73, residual support = 44.2: O HD3 PRO 68 - HG3 PRO 68 8.333% * 60.3695% (0.67 10.0 1.00 3.89 25.45) = 60.369% kept O T HD2 ARG+ 54 - HG2 ARG+ 54 8.333% * 23.7667% (0.26 10.0 10.00 4.96 116.05) = 23.767% kept T HD2 ARG+ 54 - HG3 PRO 68 8.333% * 7.8238% (1.00 1.0 10.00 0.17 0.97) = 7.824% kept HB3 CYS 53 - HG2 ARG+ 54 8.333% * 4.0781% (0.25 1.0 1.00 3.57 27.19) = 4.078% kept HB3 CYS 53 - HG3 PRO 68 8.333% * 2.0555% (0.96 1.0 1.00 0.48 0.02) = 2.056% kept QB PHE 55 - HG2 ARG+ 54 8.333% * 1.5794% (0.14 1.0 1.00 2.42 4.02) = 1.579% kept QB PHE 55 - HG3 PRO 68 8.333% * 0.2053% (0.55 1.0 1.00 0.08 0.02) = 0.205% HD3 PRO 93 - HG3 PRO 68 8.333% * 0.0657% (0.73 1.0 1.00 0.02 0.02) = 0.066% HB2 PHE 59 - HG3 PRO 68 8.333% * 0.0179% (0.20 1.0 1.00 0.02 0.02) = 0.018% HD3 PRO 93 - HG2 ARG+ 54 8.333% * 0.0173% (0.19 1.0 1.00 0.02 0.02) = 0.017% HD3 PRO 68 - HG2 ARG+ 54 8.333% * 0.0159% (0.18 1.0 1.00 0.02 0.97) = 0.016% HB2 PHE 59 - HG2 ARG+ 54 8.333% * 0.0047% (0.05 1.0 1.00 0.02 0.02) = 0.005% Peak 2839 (3.75, 1.86, 27.31 ppm): 6 chemical-shift based assignments, quality = 0.834, support = 3.94, residual support = 25.4: O HD2 PRO 68 - HG3 PRO 68 16.667% * 99.8421% (0.84 10.0 3.95 25.45) = 99.842% kept HA ALA 61 - HG3 PRO 68 16.667% * 0.0653% (0.55 1.0 0.02 0.02) = 0.065% HA VAL 24 - HG3 PRO 68 16.667% * 0.0388% (0.32 1.0 0.02 0.02) = 0.039% HD2 PRO 68 - HG2 ARG+ 54 16.667% * 0.0263% (0.22 1.0 0.02 0.97) = 0.026% HA ALA 61 - HG2 ARG+ 54 16.667% * 0.0172% (0.14 1.0 0.02 0.02) = 0.017% HA VAL 24 - HG2 ARG+ 54 16.667% * 0.0102% (0.09 1.0 0.02 0.02) = 0.010% Peak 2840 (3.33, 3.75, 50.60 ppm): 6 chemical-shift based assignments, quality = 0.947, support = 4.17, residual support = 21.9: O T HD3 PRO 68 - HD2 PRO 68 16.667% * 85.9650% (0.96 10.0 10.00 4.80 25.45) = 85.965% kept T HD3 PRO 93 - HD2 PRO 68 16.667% * 13.5512% (0.92 1.0 10.00 0.33 0.02) = 13.551% kept HB3 CYS 53 - HD2 PRO 68 16.667% * 0.2702% (0.67 1.0 1.00 0.09 0.02) = 0.270% QB PHE 55 - HD2 PRO 68 16.667% * 0.0895% (1.00 1.0 1.00 0.02 0.02) = 0.089% HB2 PHE 59 - HD2 PRO 68 16.667% * 0.0751% (0.84 1.0 1.00 0.02 0.02) = 0.075% HD2 ARG+ 54 - HD2 PRO 68 16.667% * 0.0491% (0.55 1.0 1.00 0.02 0.97) = 0.049% Peak 2841 (3.75, 3.33, 50.60 ppm): 6 chemical-shift based assignments, quality = 0.833, support = 4.79, residual support = 25.4: O T HD2 PRO 68 - HD3 PRO 68 16.667% * 99.6945% (0.84 10.0 10.00 4.80 25.45) = 99.695% kept T HD2 PRO 68 - HD3 PRO 93 16.667% * 0.1825% (0.15 1.0 10.00 0.02 0.02) = 0.183% HA ALA 61 - HD3 PRO 68 16.667% * 0.0652% (0.55 1.0 1.00 0.02 0.02) = 0.065% HA VAL 24 - HD3 PRO 68 16.667% * 0.0387% (0.32 1.0 1.00 0.02 0.02) = 0.039% HA ALA 61 - HD3 PRO 93 16.667% * 0.0119% (0.10 1.0 1.00 0.02 0.02) = 0.012% HA VAL 24 - HD3 PRO 93 16.667% * 0.0071% (0.06 1.0 1.00 0.02 0.02) = 0.007% Peak 2844 (5.01, 3.33, 50.60 ppm): 4 chemical-shift based assignments, quality = 0.265, support = 3.45, residual support = 15.3: O HA LEU 67 - HD3 PRO 68 25.000% * 93.9694% (0.24 10.0 3.65 16.29) = 93.969% kept HA ASP- 76 - HD3 PRO 68 25.000% * 5.9604% (0.73 1.0 0.41 0.02) = 5.960% kept HA ASP- 76 - HD3 PRO 93 25.000% * 0.0530% (0.13 1.0 0.02 0.02) = 0.053% HA LEU 67 - HD3 PRO 93 25.000% * 0.0172% (0.04 1.0 0.02 0.02) = 0.017% Peak 2845 (5.01, 3.75, 50.60 ppm): 2 chemical-shift based assignments, quality = 0.265, support = 3.62, residual support = 15.3: O HA LEU 67 - HD2 PRO 68 50.000% * 94.0354% (0.24 10.0 3.82 16.29) = 94.035% kept HA ASP- 76 - HD2 PRO 68 50.000% * 5.9646% (0.73 1.0 0.41 0.02) = 5.965% kept Peak 2846 (7.70, 2.90, 37.49 ppm): 4 chemical-shift based assignments, quality = 0.379, support = 2.84, residual support = 44.7: O HD21 ASN 69 - HB2 ASN 69 25.000% * 95.0180% (0.38 10.0 2.96 47.01) = 95.018% kept HE3 TRP 87 - HB2 ASN 69 25.000% * 2.9947% (0.32 1.0 0.73 0.02) = 2.995% kept HN GLN 17 - HB2 ASN 69 25.000% * 1.8785% (0.67 1.0 0.22 0.02) = 1.879% kept HN TRP 87 - HB2 ASN 69 25.000% * 0.1088% (0.43 1.0 0.02 0.02) = 0.109% Peak 2847 (8.82, 2.90, 37.49 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 4.52, residual support = 47.0: O HN ASN 69 - HB2 ASN 69 50.000% * 99.9853% (0.92 10.0 4.52 47.01) = 99.985% kept HN ASN 28 - HB2 ASN 69 50.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 2848 (7.69, 2.81, 37.49 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 2.93, residual support = 46.5: O HD21 ASN 69 - HB3 ASN 69 33.333% * 98.8274% (0.98 10.0 2.96 47.01) = 98.827% kept HN GLN 17 - HB3 ASN 69 33.333% * 1.0723% (0.96 1.0 0.22 0.02) = 1.072% kept HN TRP 87 - HB3 ASN 69 33.333% * 0.1003% (1.00 1.0 0.02 0.02) = 0.100% Peak 2849 (8.82, 2.81, 37.49 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 4.17, residual support = 47.0: O HN ASN 69 - HB3 ASN 69 50.000% * 99.9853% (0.92 10.0 4.17 47.01) = 99.985% kept HN ASN 28 - HB3 ASN 69 50.000% * 0.0147% (0.14 1.0 0.02 0.02) = 0.015% Peak 2850 (7.71, 4.68, 53.57 ppm): 3 chemical-shift based assignments, quality = 0.755, support = 0.02, residual support = 0.02: HE3 TRP 87 - HA ASN 69 33.333% * 47.2731% (0.98 0.02 0.02) = 47.273% kept HN ALA 61 - HA ASN 69 33.333% * 29.2518% (0.61 0.02 0.02) = 29.252% kept HN ALA 91 - HA ASN 69 33.333% * 23.4751% (0.49 0.02 0.02) = 23.475% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2851 (6.35, 4.68, 53.57 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 0.02, residual support = 0.02: HZ3 TRP 27 - HA ASN 69 100.000% *100.0000% (0.78 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2852 (1.31, 4.01, 61.79 ppm): 6 chemical-shift based assignments, quality = 0.475, support = 0.02, residual support = 0.02: T QB ALA 88 - HB2 SER 82 16.667% * 45.4844% (0.19 10.00 0.02 0.02) = 45.484% kept QG2 THR 77 - HA VAL 70 16.667% * 23.6706% (0.98 1.00 0.02 0.02) = 23.671% kept QB ALA 88 - HA VAL 70 16.667% * 17.5356% (0.73 1.00 0.02 0.02) = 17.536% kept QG2 THR 77 - HB2 SER 82 16.667% * 6.1397% (0.25 1.00 0.02 0.02) = 6.140% kept HG2 LYS+ 38 - HA VAL 70 16.667% * 5.6930% (0.24 1.00 0.02 0.02) = 5.693% kept HG2 LYS+ 38 - HB2 SER 82 16.667% * 1.4767% (0.06 1.00 0.02 0.02) = 1.477% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2853 (8.14, 4.01, 61.79 ppm): 4 chemical-shift based assignments, quality = 0.726, support = 5.7, residual support = 35.7: O HN LEU 71 - HA VAL 70 25.000% * 99.9398% (0.73 10.0 5.70 35.72) = 99.940% kept HN GLU- 114 - HA VAL 70 25.000% * 0.0272% (0.20 1.0 0.02 0.02) = 0.027% HN LEU 71 - HB2 SER 82 25.000% * 0.0259% (0.19 1.0 0.02 0.02) = 0.026% HN GLU- 114 - HB2 SER 82 25.000% * 0.0071% (0.05 1.0 0.02 0.02) = 0.007% Peak 2854 (6.71, 2.20, 34.17 ppm): 2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 33.0: T HZ PHE 72 - HB VAL 70 50.000% * 96.2696% (1.00 10.00 3.24 34.28) = 96.270% kept T HZ PHE 72 - QG GLN 17 50.000% * 3.7304% (0.18 10.00 0.42 0.02) = 3.730% kept Peak 2855 (7.00, 2.20, 34.17 ppm): 4 chemical-shift based assignments, quality = 0.509, support = 1.99, residual support = 29.8: QE PHE 72 - HB VAL 70 25.000% * 86.8524% (0.49 2.26 34.28) = 86.852% kept HN ALA 47 - HB VAL 70 25.000% * 9.3854% (0.88 0.13 0.02) = 9.385% kept QE PHE 72 - QG GLN 17 25.000% * 3.5061% (0.09 0.50 0.02) = 3.506% kept HN ALA 47 - QG GLN 17 25.000% * 0.2561% (0.16 0.02 0.02) = 0.256% Peak 2856 (7.99, 2.20, 34.17 ppm): 2 chemical-shift based assignments, quality = 0.546, support = 3.81, residual support = 61.7: O HN VAL 70 - HB VAL 70 50.000% * 99.9816% (0.55 10.0 3.81 61.72) = 99.982% kept HN VAL 70 - QG GLN 17 50.000% * 0.0184% (0.10 1.0 0.02 1.63) = 0.018% Peak 2857 (8.01, 0.86, 24.07 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 0.0886, residual support = 0.02: HN GLU- 79 - QG1 VAL 70 100.000% *100.0000% (0.61 0.09 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2859 (8.93, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.285, support = 1.79, residual support = 1.68: HN ILE 19 - QG2 VAL 70 33.333% * 59.7298% (0.38 1.63 1.91) = 59.730% kept HN LEU 73 - QG2 VAL 70 33.333% * 34.4848% (0.15 2.31 1.57) = 34.485% kept HN VAL 42 - QG2 VAL 70 33.333% * 5.7854% (0.15 0.39 0.02) = 5.785% kept Peak 2860 (1.46, 0.19, 22.28 ppm): 8 chemical-shift based assignments, quality = 0.321, support = 2.81, residual support = 14.6: T HG LEU 40 - QG2 VAL 70 12.500% * 68.1782% (0.40 10.00 3.33 20.88) = 68.178% kept T HG LEU 73 - QG2 VAL 70 12.500% * 25.7163% (0.15 10.00 2.05 1.57) = 25.716% kept T HG LEU 115 - QG2 VAL 70 12.500% * 4.0033% (0.15 10.00 0.31 0.02) = 4.003% kept HB3 LEU 115 - QG2 VAL 70 12.500% * 0.8985% (0.40 1.00 0.26 0.02) = 0.898% QB ALA 120 - QG2 VAL 70 12.500% * 0.6099% (0.15 1.00 0.47 0.02) = 0.610% HG2 LYS+ 102 - QG2 VAL 70 12.500% * 0.5154% (0.22 1.00 0.28 0.02) = 0.515% HG LEU 67 - QG2 VAL 70 12.500% * 0.0672% (0.40 1.00 0.02 0.02) = 0.067% QG LYS+ 66 - QG2 VAL 70 12.500% * 0.0113% (0.07 1.00 0.02 0.02) = 0.011% Peak 2861 (6.70, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.21, support = 3.96, residual support = 34.3: T QD PHE 72 - QG2 VAL 70 33.333% * 61.7544% (0.25 10.00 3.46 34.28) = 61.754% kept T HZ PHE 72 - QG2 VAL 70 33.333% * 38.2126% (0.15 10.00 4.78 34.28) = 38.213% kept QE PHE 45 - QG2 VAL 70 33.333% * 0.0331% (0.13 1.00 0.02 0.02) = 0.033% Peak 2862 (6.99, 0.19, 22.28 ppm): 2 chemical-shift based assignments, quality = 0.394, support = 3.56, residual support = 32.9: QE PHE 72 - QG2 VAL 70 50.000% * 95.9926% (0.41 3.68 34.28) = 95.993% kept HN ALA 47 - QG2 VAL 70 50.000% * 4.0074% (0.10 0.65 0.02) = 4.007% kept Peak 2863 (8.16, 0.19, 22.28 ppm): 3 chemical-shift based assignments, quality = 0.353, support = 5.83, residual support = 33.8: HN LEU 71 - QG2 VAL 70 33.333% * 94.6070% (0.36 6.15 35.72) = 94.607% kept HN GLU- 114 - QG2 VAL 70 33.333% * 3.4213% (0.36 0.22 0.02) = 3.421% kept HN GLN 116 - QG2 VAL 70 33.333% * 1.9717% (0.10 0.48 0.02) = 1.972% kept Peak 2864 (6.70, 0.86, 24.07 ppm): 3 chemical-shift based assignments, quality = 0.516, support = 2.12, residual support = 34.2: QD PHE 72 - QG1 VAL 70 33.333% * 61.1379% (0.61 2.11 34.28) = 61.138% kept HZ PHE 72 - QG1 VAL 70 33.333% * 38.5524% (0.38 2.15 34.28) = 38.552% kept QE PHE 45 - QG1 VAL 70 33.333% * 0.3097% (0.32 0.02 0.02) = 0.310% Peak 2865 (4.88, 1.80, 44.15 ppm): 2 chemical-shift based assignments, quality = 0.877, support = 0.68, residual support = 0.929: HA VAL 41 - HB2 LEU 71 50.000% * 53.0185% (0.84 0.75 1.29) = 53.019% kept HA HIS 122 - HB2 LEU 71 50.000% * 46.9815% (0.92 0.60 0.52) = 46.981% kept Peak 2866 (8.16, 1.80, 44.15 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 6.04, residual support = 132.3: O HN LEU 71 - HB2 LEU 71 33.333% * 99.8734% (0.88 10.0 6.04 132.43) = 99.873% kept HN GLU- 114 - HB2 LEU 71 33.333% * 0.0999% (0.88 1.0 0.02 0.02) = 0.100% HN GLN 116 - HB2 LEU 71 33.333% * 0.0267% (0.24 1.0 0.02 0.02) = 0.027% Peak 2867 (8.16, 1.20, 44.15 ppm): 3 chemical-shift based assignments, quality = 0.881, support = 5.98, residual support = 132.3: O HN LEU 71 - HB3 LEU 71 33.333% * 99.8734% (0.88 10.0 5.98 132.43) = 99.873% kept HN GLU- 114 - HB3 LEU 71 33.333% * 0.0999% (0.88 1.0 0.02 0.02) = 0.100% HN GLN 116 - HB3 LEU 71 33.333% * 0.0267% (0.24 1.0 0.02 0.02) = 0.027% Peak 2870 (1.81, 1.24, 27.63 ppm): 14 chemical-shift based assignments, quality = 0.919, support = 4.88, residual support = 131.8: O HB2 LEU 71 - HG LEU 71 7.143% * 99.5487% (0.92 10.0 4.90 132.43) = 99.549% kept QB LYS+ 102 - HG LEU 71 7.143% * 0.1078% (1.00 1.0 0.02 0.02) = 0.108% QB LYS+ 65 - HG LEU 71 7.143% * 0.1031% (0.96 1.0 0.02 0.02) = 0.103% HG2 PRO 93 - HG LEU 71 7.143% * 0.0901% (0.84 1.0 0.02 0.02) = 0.090% QB LYS+ 66 - HG LEU 71 7.143% * 0.0463% (0.43 1.0 0.02 0.02) = 0.046% HB3 GLN 17 - HG LEU 71 7.143% * 0.0213% (0.20 1.0 0.02 0.02) = 0.021% HB VAL 41 - HG LEU 71 7.143% * 0.0213% (0.20 1.0 0.02 1.29) = 0.021% QB LYS+ 102 - HG13 ILE 19 7.143% * 0.0135% (0.13 1.0 0.02 3.68) = 0.013% QB LYS+ 65 - HG13 ILE 19 7.143% * 0.0129% (0.12 1.0 0.02 0.02) = 0.013% HB2 LEU 71 - HG13 ILE 19 7.143% * 0.0125% (0.12 1.0 0.02 2.91) = 0.012% HG2 PRO 93 - HG13 ILE 19 7.143% * 0.0113% (0.10 1.0 0.02 0.02) = 0.011% QB LYS+ 66 - HG13 ILE 19 7.143% * 0.0058% (0.05 1.0 0.02 0.02) = 0.006% HB3 GLN 17 - HG13 ILE 19 7.143% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% HB VAL 41 - HG13 ILE 19 7.143% * 0.0027% (0.02 1.0 0.02 0.02) = 0.003% Peak 2873 (8.14, 0.96, 23.45 ppm): 2 chemical-shift based assignments, quality = 0.726, support = 6.44, residual support = 132.3: HN LEU 71 - QD2 LEU 71 50.000% * 99.9155% (0.73 6.44 132.43) = 99.915% kept HN GLU- 114 - QD2 LEU 71 50.000% * 0.0845% (0.20 0.02 0.02) = 0.085% Peak 2874 (9.37, 0.96, 23.45 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 5.07, residual support = 17.4: HN PHE 72 - QD2 LEU 71 50.000% * 99.4648% (0.49 5.09 17.54) = 99.465% kept HN LEU 104 - QD2 LEU 71 50.000% * 0.5352% (0.67 0.02 0.02) = 0.535% Peak 2875 (8.96, 5.27, 56.60 ppm): 3 chemical-shift based assignments, quality = 0.331, support = 3.9, residual support = 25.7: O HN LEU 73 - HA PHE 72 33.333% * 91.3671% (0.33 10.0 4.18 28.12) = 91.367% kept HN VAL 42 - HA PHE 72 33.333% * 4.6216% (0.33 1.0 1.01 1.01) = 4.622% kept HN LYS+ 106 - HA PHE 72 33.333% * 4.0113% (0.33 1.0 0.88 0.02) = 4.011% kept Peak 2876 (9.35, 5.27, 56.60 ppm): 1 chemical-shift based assignment, quality = 0.456, support = 4.74, residual support = 77.2: O HN PHE 72 - HA PHE 72 100.000% *100.0000% (0.46 10.0 4.74 77.18) = 100.000% kept Peak 2877 (1.43, 5.27, 56.60 ppm): 9 chemical-shift based assignments, quality = 0.366, support = 0.966, residual support = 9.67: HG LEU 80 - HA PHE 72 11.111% * 41.9677% (0.54 0.54 0.39) = 41.968% kept HG LEU 73 - HA PHE 72 11.111% * 32.8650% (0.11 2.12 28.12) = 32.865% kept HG12 ILE 19 - HA PHE 72 11.111% * 14.1916% (0.50 0.20 0.96) = 14.192% kept HB2 LEU 80 - HA PHE 72 11.111% * 5.9307% (0.18 0.23 0.39) = 5.931% kept QB ALA 110 - HA PHE 72 11.111% * 1.5341% (0.54 0.02 0.02) = 1.534% kept QB ALA 61 - HA PHE 72 11.111% * 1.4447% (0.50 0.02 0.02) = 1.445% kept HB3 LEU 67 - HA PHE 72 11.111% * 1.1365% (0.40 0.02 8.70) = 1.136% kept QG LYS+ 66 - HA PHE 72 11.111% * 0.6723% (0.23 0.02 0.62) = 0.672% HD3 LYS+ 121 - HA PHE 72 11.111% * 0.2574% (0.09 0.02 0.02) = 0.257% Peak 2878 (0.78, 2.83, 40.30 ppm): 4 chemical-shift based assignments, quality = 0.615, support = 4.11, residual support = 21.4: QD2 LEU 73 - HB2 PHE 72 25.000% * 75.3082% (0.64 5.06 28.12) = 75.308% kept HG LEU 31 - HB2 PHE 72 25.000% * 18.0359% (0.52 1.48 1.34) = 18.036% kept QD1 ILE 56 - HB2 PHE 72 25.000% * 6.6047% (0.62 0.46 0.15) = 6.605% kept HG3 LYS+ 121 - HB2 PHE 72 25.000% * 0.0512% (0.11 0.02 0.02) = 0.051% Peak 2879 (0.40, 2.83, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 2.82, residual support = 39.3: QB ALA 64 - HB2 PHE 72 100.000% *100.0000% (0.67 2.82 39.30) = 100.000% kept Peak 2880 (0.77, 2.28, 40.30 ppm): 5 chemical-shift based assignments, quality = 0.508, support = 4.24, residual support = 19.6: QD2 LEU 73 - HB3 PHE 72 20.000% * 68.2723% (0.48 5.53 28.12) = 68.272% kept HG LEU 31 - HB3 PHE 72 20.000% * 26.0402% (0.64 1.59 1.34) = 26.040% kept QD1 ILE 56 - HB3 PHE 72 20.000% * 5.3426% (0.20 1.04 0.15) = 5.343% kept QG1 VAL 41 - HB3 PHE 72 20.000% * 0.2247% (0.44 0.02 0.02) = 0.225% QG1 VAL 43 - HB3 PHE 72 20.000% * 0.1203% (0.24 0.02 0.02) = 0.120% Peak 2881 (0.41, 2.28, 40.30 ppm): 1 chemical-shift based assignment, quality = 0.353, support = 3.2, residual support = 39.3: T QB ALA 64 - HB3 PHE 72 100.000% *100.0000% (0.35 10.00 3.20 39.30) = 100.000% kept Peak 2882 (4.02, 2.83, 40.30 ppm): 7 chemical-shift based assignments, quality = 0.581, support = 1.37, residual support = 18.2: HA VAL 70 - HB2 PHE 72 14.286% * 51.9396% (0.64 1.00 1.67 34.28) = 51.940% kept HA GLN 116 - HB2 PHE 72 14.286% * 35.1862% (0.64 1.00 1.13 1.00) = 35.186% kept HB2 SER 37 - HB2 PHE 72 14.286% * 10.3685% (0.22 1.00 0.98 0.52) = 10.368% kept T HA VAL 18 - HB2 PHE 72 14.286% * 1.8100% (0.19 10.00 0.02 0.02) = 1.810% kept HA LYS+ 33 - HB2 PHE 72 14.286% * 0.3555% (0.36 1.00 0.02 0.02) = 0.355% HA GLU- 29 - HB2 PHE 72 14.286% * 0.2113% (0.22 1.00 0.02 0.02) = 0.211% HB2 SER 82 - HB2 PHE 72 14.286% * 0.1288% (0.13 1.00 0.02 0.02) = 0.129% Peak 2883 (4.03, 2.28, 40.30 ppm): 4 chemical-shift based assignments, quality = 0.43, support = 1.09, residual support = 11.9: HB2 SER 37 - HB3 PHE 72 25.000% * 42.7324% (0.69 0.69 0.52) = 42.732% kept HA VAL 70 - HB3 PHE 72 25.000% * 33.3829% (0.24 1.59 34.28) = 33.383% kept HA GLN 116 - HB3 PHE 72 25.000% * 23.2562% (0.24 1.11 1.00) = 23.256% kept HA1 GLY 16 - HB3 PHE 72 25.000% * 0.6285% (0.35 0.02 0.02) = 0.629% Peak 2884 (6.69, 2.28, 40.30 ppm): 2 chemical-shift based assignments, quality = 0.722, support = 4.44, residual support = 77.1: O T QD PHE 72 - HB3 PHE 72 50.000% * 99.9161% (0.72 10.0 10.00 4.45 77.18) = 99.916% kept QE PHE 45 - HB3 PHE 72 50.000% * 0.0839% (0.61 1.0 1.00 0.02 0.02) = 0.084% Peak 2885 (6.69, 2.83, 40.30 ppm): 2 chemical-shift based assignments, quality = 0.66, support = 4.17, residual support = 76.8: O QD PHE 72 - HB2 PHE 72 50.000% * 99.5101% (0.66 10.0 4.19 77.18) = 99.510% kept QE PHE 45 - HB2 PHE 72 50.000% * 0.4899% (0.56 1.0 0.12 0.02) = 0.490% Peak 2886 (9.37, 2.83, 40.30 ppm): 2 chemical-shift based assignments, quality = 0.588, support = 4.58, residual support = 77.2: O HN PHE 72 - HB2 PHE 72 50.000% * 99.9685% (0.59 10.0 4.58 77.18) = 99.969% kept HN LEU 104 - HB2 PHE 72 50.000% * 0.0315% (0.19 1.0 0.02 0.52) = 0.031% Peak 2887 (2.03, 5.57, 52.40 ppm): 10 chemical-shift based assignments, quality = 0.735, support = 0.561, residual support = 0.724: HG3 GLN 30 - HA LEU 73 10.000% * 52.2006% (0.98 0.60 0.65) = 52.201% kept HB2 GLN 30 - HA LEU 73 10.000% * 24.1085% (0.61 0.45 0.65) = 24.108% kept HB VAL 108 - HA LEU 73 10.000% * 18.4931% (0.28 0.75 1.23) = 18.493% kept HB3 PRO 68 - HA LEU 73 10.000% * 1.2880% (0.73 0.02 0.02) = 1.288% kept HB3 GLU- 100 - HA LEU 73 10.000% * 1.2880% (0.73 0.02 0.02) = 1.288% kept HB ILE 119 - HA LEU 73 10.000% * 1.0758% (0.61 0.02 0.02) = 1.076% kept HB2 LYS+ 111 - HA LEU 73 10.000% * 0.4931% (0.28 0.02 0.11) = 0.493% HB2 ARG+ 54 - HA LEU 73 10.000% * 0.3510% (0.20 0.02 0.02) = 0.351% QB GLU- 15 - HA LEU 73 10.000% * 0.3510% (0.20 0.02 0.02) = 0.351% HB2 GLN 17 - HA LEU 73 10.000% * 0.3510% (0.20 0.02 0.02) = 0.351% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2888 (8.49, 5.57, 52.40 ppm): 3 chemical-shift based assignments, quality = 0.562, support = 3.35, residual support = 12.0: O HN LYS+ 74 - HA LEU 73 33.333% * 75.4182% (0.43 10.0 3.96 15.04) = 75.418% kept HN LYS+ 112 - HA LEU 73 33.333% * 14.8863% (1.00 1.0 1.70 3.96) = 14.886% kept HN MET 11 - HA LEU 73 33.333% * 9.6955% (0.92 1.0 1.20 0.38) = 9.696% kept Peak 2889 (8.96, 5.57, 52.40 ppm): 3 chemical-shift based assignments, quality = 0.607, support = 5.94, residual support = 98.9: O HN LEU 73 - HA LEU 73 33.333% * 87.2354% (0.61 10.0 6.47 112.60) = 87.235% kept HN LYS+ 106 - HA LEU 73 33.333% * 11.2029% (0.61 1.0 2.57 5.68) = 11.203% kept HN VAL 42 - HA LEU 73 33.333% * 1.5618% (0.61 1.0 0.36 1.06) = 1.562% kept Peak 2890 (8.97, 1.70, 46.21 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 1.8, residual support = 5.68: HN LYS+ 106 - HB2 LEU 73 100.000% *100.0000% (1.00 1.80 5.68) = 100.000% kept Peak 2891 (4.68, 1.70, 46.21 ppm): 3 chemical-shift based assignments, quality = 0.632, support = 0.818, residual support = 0.962: HA VAL 43 - HB2 LEU 73 33.333% * 93.1509% (0.61 0.88 1.03) = 93.151% kept HA HIS 22 - HB2 LEU 73 33.333% * 3.5016% (1.00 0.02 0.02) = 3.502% kept HA ASN 69 - HB2 LEU 73 33.333% * 3.3475% (0.96 0.02 0.02) = 3.348% kept Peak 2892 (8.50, 1.38, 46.21 ppm): 2 chemical-shift based assignments, quality = 0.474, support = 0.884, residual support = 3.0: HN LYS+ 112 - HB3 LEU 73 50.000% * 73.0136% (0.55 0.95 3.96) = 73.014% kept HN MET 11 - HB3 LEU 73 50.000% * 26.9864% (0.28 0.69 0.38) = 26.986% kept Peak 2893 (8.96, 1.44, 27.31 ppm): 9 chemical-shift based assignments, quality = 0.589, support = 3.41, residual support = 75.6: HN LEU 73 - HG LEU 73 11.111% * 65.5931% (0.61 4.26 112.60) = 65.593% kept HN LYS+ 106 - HG LEU 73 11.111% * 29.8905% (0.61 1.94 5.68) = 29.890% kept HN VAL 42 - HG LEU 40 11.111% * 2.6777% (0.07 1.49 0.82) = 2.678% kept HN VAL 42 - HG LEU 73 11.111% * 1.3199% (0.61 0.09 1.06) = 1.320% kept HN VAL 42 - HG LEU 80 11.111% * 0.3759% (0.03 0.55 0.02) = 0.376% HN LEU 73 - HG LEU 80 11.111% * 0.0572% (0.03 0.08 0.11) = 0.057% HN LYS+ 106 - HG LEU 40 11.111% * 0.0359% (0.07 0.02 0.02) = 0.036% HN LEU 73 - HG LEU 40 11.111% * 0.0359% (0.07 0.02 0.02) = 0.036% HN LYS+ 106 - HG LEU 80 11.111% * 0.0138% (0.03 0.02 0.02) = 0.014% Peak 2894 (8.13, 1.44, 27.31 ppm): 3 chemical-shift based assignments, quality = 0.603, support = 0.0924, residual support = 0.0198: HN THR 26 - HG LEU 73 33.333% * 89.2080% (0.67 0.09 0.02) = 89.208% kept HN THR 26 - HG LEU 40 33.333% * 9.9408% (0.08 0.09 0.02) = 9.941% kept HN THR 26 - HG LEU 80 33.333% * 0.8511% (0.03 0.02 0.02) = 0.851% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2895 (8.97, 0.78, 24.39 ppm): 1 chemical-shift based assignment, quality = 0.995, support = 1.79, residual support = 5.68: HN LYS+ 106 - QD2 LEU 73 100.000% *100.0000% (1.00 1.79 5.68) = 100.000% kept Peak 2897 (8.50, 0.78, 24.39 ppm): 2 chemical-shift based assignments, quality = 0.508, support = 2.21, residual support = 3.45: HN LYS+ 112 - QD2 LEU 73 50.000% * 85.6631% (0.55 2.45 3.96) = 85.663% kept HN MET 11 - QD2 LEU 73 50.000% * 14.3369% (0.28 0.80 0.38) = 14.337% kept Peak 2898 (8.50, 1.48, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.251, support = 0.652, residual support = 0.501: HN LYS+ 112 - HB2 LYS+ 74 50.000% * 50.9628% (0.33 0.45 0.34) = 50.963% kept HN MET 11 - HB2 LYS+ 74 50.000% * 49.0372% (0.17 0.86 0.67) = 49.037% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2899 (8.51, 1.41, 36.69 ppm): 2 chemical-shift based assignments, quality = 0.411, support = 2.57, residual support = 7.87: HN VAL 75 - HB3 LYS+ 74 50.000% * 53.3874% (0.14 4.21 13.99) = 53.387% kept HN ASP- 78 - HB3 LYS+ 74 50.000% * 46.6126% (0.73 0.69 0.86) = 46.613% kept Peak 2900 (8.52, 1.24, 25.23 ppm): 2 chemical-shift based assignments, quality = 0.724, support = 4.28, residual support = 11.4: HN VAL 75 - HG2 LYS+ 74 50.000% * 80.2542% (0.67 5.12 13.99) = 80.254% kept HN ASP- 78 - HG2 LYS+ 74 50.000% * 19.7458% (0.96 0.88 0.86) = 19.746% kept Peak 2901 (0.45, 3.58, 65.17 ppm): 2 chemical-shift based assignments, quality = 0.664, support = 0.961, residual support = 0.889: QG1 VAL 75 - HA THR 77 50.000% * 98.8547% (0.67 0.97 0.90) = 98.855% kept QD1 LEU 115 - HA THR 77 50.000% * 1.1453% (0.38 0.02 0.02) = 1.145% kept Peak 2902 (8.53, 2.78, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 3.62, residual support = 35.9: O HN ASP- 78 - HB3 ASP- 78 50.000% * 99.9114% (0.88 10.0 3.62 35.95) = 99.911% kept HN VAL 75 - HB3 ASP- 78 50.000% * 0.0886% (0.78 1.0 0.02 2.82) = 0.089% Peak 2903 (8.53, 2.91, 41.22 ppm): 2 chemical-shift based assignments, quality = 0.882, support = 5.13, residual support = 35.9: O HN ASP- 78 - HB2 ASP- 78 50.000% * 99.9114% (0.88 10.0 5.14 35.95) = 99.911% kept HN VAL 75 - HB2 ASP- 78 50.000% * 0.0886% (0.78 1.0 0.02 2.82) = 0.089% Peak 2904 (2.14, 4.27, 58.55 ppm): 4 chemical-shift based assignments, quality = 0.995, support = 4.44, residual support = 41.6: O T HB3 GLU- 79 - HA GLU- 79 25.000% * 99.5190% (1.00 10.0 10.00 4.46 41.85) = 99.519% kept T HB2 GLN 90 - HA GLU- 79 25.000% * 0.3231% (0.32 1.0 10.00 0.02 0.02) = 0.323% QB GLU- 36 - HA GLU- 79 25.000% * 0.0975% (0.98 1.0 1.00 0.02 0.02) = 0.098% HB3 GLU- 29 - HA GLU- 79 25.000% * 0.0604% (0.61 1.0 1.00 0.02 0.02) = 0.060% Peak 2905 (2.38, 2.14, 31.53 ppm): 8 chemical-shift based assignments, quality = 0.948, support = 3.05, residual support = 41.2: O QG GLU- 79 - HB3 GLU- 79 12.500% * 98.2820% (0.96 10.0 3.10 41.85) = 98.282% kept QG GLN 32 - HB3 GLU- 79 12.500% * 1.6001% (0.55 1.0 0.57 4.41) = 1.600% kept HB2 GLU- 100 - HB3 GLU- 79 12.500% * 0.0442% (0.43 1.0 0.02 0.02) = 0.044% HB2 GLN 116 - HB3 GLU- 79 12.500% * 0.0286% (0.28 1.0 0.02 0.02) = 0.029% QG GLU- 79 - HB2 GLN 90 12.500% * 0.0195% (0.19 1.0 0.02 0.02) = 0.020% QG GLN 32 - HB2 GLN 90 12.500% * 0.0112% (0.11 1.0 0.02 0.02) = 0.011% HB2 GLU- 100 - HB2 GLN 90 12.500% * 0.0088% (0.09 1.0 0.02 0.02) = 0.009% HB2 GLN 116 - HB2 GLN 90 12.500% * 0.0057% (0.06 1.0 0.02 0.02) = 0.006% Peak 2906 (2.90, 2.14, 31.53 ppm): 6 chemical-shift based assignments, quality = 0.717, support = 2.95, residual support = 10.0: HB2 ASP- 78 - HB3 GLU- 79 16.667% * 58.9973% (0.55 4.37 16.56) = 58.997% kept HB2 ASP- 76 - HB3 GLU- 79 16.667% * 26.1809% (1.00 1.06 0.75) = 26.181% kept HB2 ASN 69 - HB3 GLU- 79 16.667% * 14.5795% (0.92 0.64 0.46) = 14.579% kept HB2 ASP- 76 - HB2 GLN 90 16.667% * 0.0979% (0.20 0.02 0.02) = 0.098% HB2 ASN 69 - HB2 GLN 90 16.667% * 0.0908% (0.18 0.02 0.02) = 0.091% HB2 ASP- 78 - HB2 GLN 90 16.667% * 0.0537% (0.11 0.02 0.02) = 0.054% Peak 2907 (4.26, 2.14, 31.53 ppm): 10 chemical-shift based assignments, quality = 0.602, support = 4.43, residual support = 41.5: O T HA GLU- 79 - HB3 GLU- 79 10.000% * 99.2728% (0.61 10.0 10.00 4.46 41.85) = 99.273% kept T HA GLU- 79 - HB2 GLN 90 10.000% * 0.1974% (0.12 1.0 10.00 0.02 0.02) = 0.197% HA ALA 57 - HB3 GLU- 79 10.000% * 0.1565% (0.96 1.0 1.00 0.02 0.02) = 0.156% HA1 GLY 51 - HB3 GLU- 79 10.000% * 0.1444% (0.88 1.0 1.00 0.02 0.02) = 0.144% HA THR 39 - HB3 GLU- 79 10.000% * 0.1189% (0.73 1.0 1.00 0.02 0.02) = 0.119% HA ALA 57 - HB2 GLN 90 10.000% * 0.0311% (0.19 1.0 1.00 0.02 0.02) = 0.031% HA1 GLY 51 - HB2 GLN 90 10.000% * 0.0287% (0.18 1.0 1.00 0.02 0.02) = 0.029% HA THR 39 - HB2 GLN 90 10.000% * 0.0236% (0.14 1.0 1.00 0.02 0.02) = 0.024% HA ILE 103 - HB3 GLU- 79 10.000% * 0.0222% (0.14 1.0 1.00 0.02 0.02) = 0.022% HA ILE 103 - HB2 GLN 90 10.000% * 0.0044% (0.03 1.0 1.00 0.02 0.54) = 0.004% Peak 2908 (4.47, 2.14, 31.53 ppm): 10 chemical-shift based assignments, quality = 0.109, support = 3.48, residual support = 64.0: O T HA GLN 90 - HB2 GLN 90 10.000% * 87.9256% (0.10 10.0 10.00 3.72 71.31) = 87.926% kept HA ALA 91 - HB2 GLN 90 10.000% * 6.0820% (0.04 1.0 1.00 3.40 22.13) = 6.082% kept T HA GLN 90 - HB3 GLU- 79 10.000% * 4.4210% (0.49 1.0 10.00 0.02 0.02) = 4.421% kept HA ALA 110 - HB3 GLU- 79 10.000% * 0.6058% (0.67 1.0 1.00 0.02 0.02) = 0.606% HA VAL 107 - HB3 GLU- 79 10.000% * 0.3409% (0.38 1.0 1.00 0.02 0.02) = 0.341% HA PHE 55 - HB3 GLU- 79 10.000% * 0.2141% (0.24 1.0 1.00 0.02 0.02) = 0.214% HA ALA 91 - HB3 GLU- 79 10.000% * 0.1797% (0.20 1.0 1.00 0.02 0.02) = 0.180% HA ALA 110 - HB2 GLN 90 10.000% * 0.1205% (0.13 1.0 1.00 0.02 0.02) = 0.120% HA VAL 107 - HB2 GLN 90 10.000% * 0.0678% (0.07 1.0 1.00 0.02 0.02) = 0.068% HA PHE 55 - HB2 GLN 90 10.000% * 0.0426% (0.05 1.0 1.00 0.02 0.02) = 0.043% Peak 2909 (2.90, 2.31, 31.53 ppm): 3 chemical-shift based assignments, quality = 0.722, support = 2.9, residual support = 9.97: HB2 ASP- 78 - HB2 GLU- 79 33.333% * 58.5431% (0.55 4.31 16.56) = 58.543% kept HB2 ASP- 76 - HB2 GLU- 79 33.333% * 26.7702% (1.00 1.08 0.75) = 26.770% kept HB2 ASN 69 - HB2 GLU- 79 33.333% * 14.6867% (0.92 0.64 0.46) = 14.687% kept Peak 2910 (8.07, 2.31, 31.53 ppm): 4 chemical-shift based assignments, quality = 0.498, support = 2.8, residual support = 8.18: HN GLN 32 - HB2 GLU- 79 25.000% * 36.7804% (0.73 2.02 4.41) = 36.780% kept HN LEU 80 - HB2 GLU- 79 25.000% * 36.4437% (0.32 4.47 15.89) = 36.444% kept HN ALA 34 - HB2 GLU- 79 25.000% * 20.5992% (0.49 1.69 3.53) = 20.599% kept HN SER 85 - HB2 GLU- 79 25.000% * 6.1768% (0.20 1.24 0.74) = 6.177% kept Peak 2911 (8.07, 2.14, 31.53 ppm): 8 chemical-shift based assignments, quality = 0.498, support = 3.06, residual support = 7.97: HN LEU 80 - HB3 GLU- 79 12.500% * 34.3807% (0.32 4.63 15.89) = 34.381% kept HN GLN 32 - HB3 GLU- 79 12.500% * 32.0135% (0.73 1.93 4.41) = 32.013% kept HN ALA 34 - HB3 GLU- 79 12.500% * 30.3756% (0.49 2.73 3.53) = 30.376% kept HN SER 85 - HB3 GLU- 79 12.500% * 3.0722% (0.20 0.68 0.74) = 3.072% kept HN GLN 32 - HB2 GLN 90 12.500% * 0.0661% (0.14 0.02 0.02) = 0.066% HN ALA 34 - HB2 GLN 90 12.500% * 0.0443% (0.10 0.02 0.02) = 0.044% HN LEU 80 - HB2 GLN 90 12.500% * 0.0296% (0.06 0.02 0.02) = 0.030% HN SER 85 - HB2 GLN 90 12.500% * 0.0180% (0.04 0.02 0.02) = 0.018% Peak 2912 (8.61, 2.14, 31.53 ppm): 6 chemical-shift based assignments, quality = 0.0977, support = 4.79, residual support = 62.8: O HN GLN 90 - HB2 GLN 90 16.667% * 88.0951% (0.06 10.0 5.40 71.31) = 88.095% kept HN ILE 103 - HB2 GLN 90 16.667% * 5.0110% (0.12 1.0 0.61 0.54) = 5.011% kept HN ILE 103 - HB3 GLU- 79 16.667% * 4.0059% (0.61 1.0 0.10 0.02) = 4.006% kept HN GLY 109 - HB2 GLN 90 16.667% * 1.3771% (0.16 1.0 0.13 0.02) = 1.377% kept HN GLY 109 - HB3 GLU- 79 16.667% * 1.0679% (0.78 1.0 0.02 0.02) = 1.068% kept HN GLN 90 - HB3 GLU- 79 16.667% * 0.4430% (0.32 1.0 0.02 0.02) = 0.443% Peak 2913 (8.07, 2.38, 37.37 ppm): 4 chemical-shift based assignments, quality = 0.493, support = 2.85, residual support = 8.29: HN LEU 80 - QG GLU- 79 25.000% * 37.4139% (0.32 4.60 15.89) = 37.414% kept HN GLN 32 - QG GLU- 79 25.000% * 35.3144% (0.73 1.94 4.41) = 35.314% kept HN ALA 34 - QG GLU- 79 25.000% * 21.0851% (0.49 1.73 3.53) = 21.085% kept HN SER 85 - QG GLU- 79 25.000% * 6.1865% (0.20 1.25 0.74) = 6.187% kept Peak 2914 (8.06, 4.27, 58.55 ppm): 2 chemical-shift based assignments, quality = 0.935, support = 1.96, residual support = 3.74: HN GLN 32 - HA GLU- 79 50.000% * 81.6282% (1.00 2.23 4.41) = 81.628% kept HN SER 85 - HA GLU- 79 50.000% * 18.3718% (0.67 0.75 0.74) = 18.372% kept Peak 2915 (1.40, 0.59, 24.39 ppm): 6 chemical-shift based assignments, quality = 0.723, support = 3.73, residual support = 51.2: O HB2 LEU 80 - QD2 LEU 80 16.667% * 99.5186% (0.73 10.0 3.75 51.41) = 99.519% kept HB3 LYS+ 74 - QD2 LEU 80 16.667% * 0.1310% (0.96 1.0 0.02 0.02) = 0.131% QB LEU 98 - QD2 LEU 80 16.667% * 0.1265% (0.92 1.0 0.02 0.02) = 0.127% HD3 LYS+ 121 - QD2 LEU 80 16.667% * 0.1265% (0.92 1.0 0.02 0.02) = 0.127% QB ALA 12 - QD2 LEU 80 16.667% * 0.0748% (0.55 1.0 0.02 0.02) = 0.075% HG12 ILE 19 - QD2 LEU 80 16.667% * 0.0225% (0.16 1.0 0.02 0.02) = 0.023% Peak 2916 (4.82, 0.59, 24.39 ppm): 5 chemical-shift based assignments, quality = 0.755, support = 3.98, residual support = 38.6: HA LEU 80 - QD2 LEU 80 20.000% * 74.8189% (0.73 5.07 51.41) = 74.819% kept HA THR 23 - QD2 LEU 80 20.000% * 17.4827% (0.98 0.88 0.15) = 17.483% kept HB THR 23 - QD2 LEU 80 20.000% * 5.3517% (0.49 0.54 0.15) = 5.352% kept HA ASP- 78 - QD2 LEU 80 20.000% * 2.2799% (0.61 0.19 3.09) = 2.280% kept HA ASP- 105 - QD2 LEU 80 20.000% * 0.0668% (0.16 0.02 0.02) = 0.067% Peak 2917 (7.32, 0.59, 24.39 ppm): 4 chemical-shift based assignments, quality = 0.781, support = 2.96, residual support = 5.59: HE3 TRP 27 - QD2 LEU 80 25.000% * 75.1645% (0.84 3.60 7.12) = 75.165% kept QD PHE 55 - QD2 LEU 80 25.000% * 20.1811% (0.73 1.11 1.12) = 20.181% kept HN THR 23 - QD2 LEU 80 25.000% * 2.5120% (0.14 0.74 0.15) = 2.512% kept QE PHE 95 - QD2 LEU 80 25.000% * 2.1424% (0.16 0.52 0.36) = 2.142% kept Peak 2918 (9.19, 0.59, 24.39 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 2919 (7.32, 0.56, 25.66 ppm): 8 chemical-shift based assignments, quality = 0.285, support = 1.01, residual support = 4.25: HE3 TRP 27 - QD1 LEU 80 12.500% * 52.8650% (0.31 1.07 7.12) = 52.865% kept QD PHE 55 - QD1 LEU 80 12.500% * 43.3922% (0.27 1.01 1.12) = 43.392% kept QE PHE 95 - QD1 LEU 80 12.500% * 2.3242% (0.06 0.24 0.36) = 2.324% kept HE3 TRP 27 - QD2 LEU 98 12.500% * 0.5649% (0.18 0.02 0.02) = 0.565% QD PHE 55 - QD2 LEU 98 12.500% * 0.4911% (0.16 0.02 0.02) = 0.491% HN THR 23 - QD1 LEU 80 12.500% * 0.1597% (0.05 0.02 0.15) = 0.160% QE PHE 95 - QD2 LEU 98 12.500% * 0.1112% (0.04 0.02 0.02) = 0.111% HN THR 23 - QD2 LEU 98 12.500% * 0.0915% (0.03 0.02 0.02) = 0.092% Peak 2920 (7.30, 1.56, 25.02 ppm): 9 chemical-shift based assignments, quality = 0.638, support = 3.55, residual support = 63.2: HN LYS+ 81 - QG LYS+ 81 11.111% * 82.4667% (0.73 4.06 75.96) = 82.467% kept HN LYS+ 81 - HG2 LYS+ 33 11.111% * 10.7261% (0.28 1.38 4.99) = 10.726% kept HE3 TRP 27 - QG LYS+ 81 11.111% * 4.6802% (0.16 1.02 0.81) = 4.680% kept HN LYS+ 81 - HG2 LYS+ 106 11.111% * 1.3557% (0.16 0.31 0.02) = 1.356% kept HE3 TRP 27 - HG2 LYS+ 33 11.111% * 0.5404% (0.06 0.31 0.02) = 0.540% QD PHE 60 - QG LYS+ 81 11.111% * 0.1318% (0.24 0.02 0.02) = 0.132% QD PHE 60 - HG2 LYS+ 33 11.111% * 0.0504% (0.09 0.02 0.02) = 0.050% QD PHE 60 - HG2 LYS+ 106 11.111% * 0.0287% (0.05 0.02 0.02) = 0.029% HE3 TRP 27 - HG2 LYS+ 106 11.111% * 0.0200% (0.04 0.02 0.02) = 0.020% Peak 2921 (8.00, 1.56, 25.02 ppm): 6 chemical-shift based assignments, quality = 0.337, support = 0.526, residual support = 0.429: HN GLU- 79 - QG LYS+ 81 16.667% * 84.0789% (0.38 0.59 0.48) = 84.079% kept HN GLU- 79 - HG2 LYS+ 33 16.667% * 13.6384% (0.14 0.25 0.19) = 13.638% kept HN VAL 70 - QG LYS+ 81 16.667% * 1.0360% (0.14 0.02 0.02) = 1.036% kept HN GLU- 79 - HG2 LYS+ 106 16.667% * 0.6252% (0.08 0.02 0.02) = 0.625% HN VAL 70 - HG2 LYS+ 33 16.667% * 0.3961% (0.05 0.02 0.02) = 0.396% HN VAL 70 - HG2 LYS+ 106 16.667% * 0.2254% (0.03 0.02 0.02) = 0.225% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2922 (7.32, 1.87, 32.96 ppm): 4 chemical-shift based assignments, quality = 0.776, support = 0.787, residual support = 0.631: HE3 TRP 27 - QB LYS+ 81 25.000% * 53.9435% (0.84 0.81 0.81) = 53.944% kept QD PHE 55 - QB LYS+ 81 25.000% * 44.8516% (0.73 0.78 0.44) = 44.852% kept QE PHE 95 - QB LYS+ 81 25.000% * 0.9899% (0.16 0.08 0.02) = 0.990% HN THR 23 - QB LYS+ 81 25.000% * 0.2151% (0.14 0.02 0.02) = 0.215% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2923 (7.30, 4.10, 60.05 ppm): 3 chemical-shift based assignments, quality = 0.716, support = 4.64, residual support = 74.5: O HN LYS+ 81 - HA LYS+ 81 33.333% * 98.1195% (0.73 10.0 4.70 75.96) = 98.120% kept HE3 TRP 27 - HA LYS+ 81 33.333% * 1.8486% (0.16 1.0 1.66 0.81) = 1.849% kept QD PHE 60 - HA LYS+ 81 33.333% * 0.0319% (0.24 1.0 0.02 0.02) = 0.032% Peak 2924 (4.83, 1.56, 25.02 ppm): 6 chemical-shift based assignments, quality = 0.794, support = 0.521, residual support = 0.263: HA ASP- 78 - QG LYS+ 81 16.667% * 71.2902% (0.96 0.59 0.36) = 71.290% kept HA ASP- 78 - HG2 LYS+ 33 16.667% * 20.5891% (0.37 0.45 0.02) = 20.589% kept HA THR 23 - QG LYS+ 81 16.667% * 6.7717% (0.55 0.10 0.02) = 6.772% kept HA THR 23 - HG2 LYS+ 33 16.667% * 0.5258% (0.21 0.02 0.02) = 0.526% HA ASP- 78 - HG2 LYS+ 106 16.667% * 0.5239% (0.21 0.02 0.02) = 0.524% HA THR 23 - HG2 LYS+ 106 16.667% * 0.2993% (0.12 0.02 0.02) = 0.299% Not enough total support, support cutoff is 0.80 Peak unassigned. 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 = 0.233, support = 3.06, residual support = 22.3: O HN SER 82 - HB3 SER 82 33.333% * 87.4315% (0.14 10.0 3.45 25.53) = 87.432% kept HN GLY 16 - HB3 SER 82 33.333% * 11.9508% (0.96 1.0 0.39 0.02) = 11.951% kept HN SER 117 - HB3 SER 82 33.333% * 0.6176% (0.96 1.0 0.02 0.02) = 0.618% Peak 2927 (6.62, 3.99, 61.93 ppm): 4 chemical-shift based assignments, quality = 0.261, support = 3.33, residual support = 12.9: O HN TRP 49 - HA SER 48 25.000% * 95.5087% (0.26 10.0 3.43 13.49) = 95.509% kept HN CYS 50 - HA SER 48 25.000% * 4.1806% (0.21 1.0 1.11 0.02) = 4.181% kept HN TRP 49 - HB2 SER 82 25.000% * 0.1739% (0.48 1.0 0.02 0.02) = 0.174% HN CYS 50 - HB2 SER 82 25.000% * 0.1368% (0.38 1.0 0.02 0.02) = 0.137% Peak 2928 (8.66, 3.99, 61.93 ppm): 6 chemical-shift based assignments, quality = 0.117, support = 3.92, residual support = 25.0: O HN SER 82 - HB2 SER 82 16.667% * 97.8058% (0.12 10.0 4.01 25.53) = 97.806% kept HN SER 117 - HB2 SER 82 16.667% * 0.6909% (0.84 1.0 0.02 0.02) = 0.691% HN GLY 16 - HB2 SER 82 16.667% * 0.6909% (0.84 1.0 0.02 0.02) = 0.691% HN SER 117 - HA SER 48 16.667% * 0.3794% (0.46 1.0 0.02 0.02) = 0.379% HN GLY 16 - HA SER 48 16.667% * 0.3794% (0.46 1.0 0.02 0.02) = 0.379% HN SER 82 - HA SER 48 16.667% * 0.0537% (0.07 1.0 0.02 0.02) = 0.054% Peak 2929 (7.56, 1.66, 32.03 ppm): 3 chemical-shift based assignments, quality = 0.162, support = 4.64, residual support = 29.6: HN ALA 84 - HB VAL 83 33.333% * 97.9501% (0.15 4.74 30.25) = 97.950% kept HE21 GLN 32 - HB VAL 83 33.333% * 1.6362% (0.61 0.02 0.02) = 1.636% kept HN LYS+ 111 - HB VAL 83 33.333% * 0.4137% (0.15 0.02 0.02) = 0.414% Peak 2930 (6.60, 1.66, 32.03 ppm): 2 chemical-shift based assignments, quality = 0.38, support = 4.71, residual support = 74.3: O HN VAL 83 - HB VAL 83 50.000% * 99.7950% (0.38 10.0 4.72 74.41) = 99.795% kept HN CYS 50 - HB VAL 83 50.000% * 0.2050% (0.78 1.0 0.02 0.02) = 0.205% Peak 2931 (7.61, 3.68, 55.33 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 0.602, residual support = 0.981: HD21 ASN 28 - HA ALA 84 33.333% * 55.7927% (0.85 0.69 1.37) = 55.793% kept HZ2 TRP 87 - HA ALA 84 33.333% * 43.7920% (0.92 0.50 0.49) = 43.792% kept QE PHE 60 - HA ALA 84 33.333% * 0.4153% (0.22 0.02 0.02) = 0.415% Peak 2932 (6.69, 3.68, 55.33 ppm): 2 chemical-shift based assignments, quality = 0.639, support = 0.235, residual support = 0.631: QE PHE 45 - HA ALA 84 50.000% * 90.3242% (0.62 0.26 0.70) = 90.324% kept QD PHE 72 - HA ALA 84 50.000% * 9.6758% (0.85 0.02 0.02) = 9.676% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2933 (1.74, 3.68, 55.33 ppm): 3 chemical-shift based assignments, quality = 0.788, support = 1.33, residual support = 11.2: HB ILE 89 - HA ALA 84 33.333% * 95.2722% (0.81 1.38 11.71) = 95.272% kept HB3 LYS+ 99 - HA ALA 84 33.333% * 4.4711% (0.26 0.21 0.02) = 4.471% kept QG1 ILE 56 - HA ALA 84 33.333% * 0.2567% (0.15 0.02 0.02) = 0.257% Peak 2934 (0.10, 3.68, 55.33 ppm): 2 chemical-shift based assignments, quality = 0.657, support = 3.34, residual support = 17.4: QD1 ILE 89 - HA ALA 84 50.000% * 69.5405% (0.77 3.50 11.71) = 69.541% kept QG2 VAL 83 - HA ALA 84 50.000% * 30.4595% (0.40 2.98 30.25) = 30.459% kept Peak 2935 (-0.06, 3.68, 55.33 ppm): 1 chemical-shift based assignment, quality = 0.257, support = 2.94, residual support = 11.7: HG13 ILE 89 - HA ALA 84 100.000% *100.0000% (0.26 2.94 11.71) = 100.000% kept Peak 2936 (0.10, 1.35, 18.25 ppm): 2 chemical-shift based assignments, quality = 0.639, support = 2.96, residual support = 18.3: QD1 ILE 89 - QB ALA 84 50.000% * 64.7260% (0.77 2.90 11.71) = 64.726% kept QG2 VAL 83 - QB ALA 84 50.000% * 35.2740% (0.40 3.08 30.25) = 35.274% kept Peak 2937 (-0.06, 1.35, 18.25 ppm): 1 chemical-shift based assignment, quality = 0.257, support = 2.4, residual support = 11.7: HG13 ILE 89 - QB ALA 84 100.000% *100.0000% (0.26 2.40 11.71) = 100.000% kept Peak 2938 (6.86, 1.35, 18.25 ppm): 1 chemical-shift based assignment, quality = 0.723, support = 0.46, residual support = 0.696: QD PHE 45 - QB ALA 84 100.000% *100.0000% (0.72 0.46 0.70) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2939 (6.64, 1.35, 18.25 ppm): 3 chemical-shift based assignments, quality = 0.489, support = 0.0579, residual support = 0.02: HN TRP 49 - QB ALA 84 33.333% * 55.3531% (0.30 0.09 0.02) = 55.353% kept HE22 GLN 30 - QB ALA 84 33.333% * 35.5644% (0.85 0.02 0.02) = 35.564% kept HD22 ASN 69 - QB ALA 84 33.333% * 9.0825% (0.22 0.02 0.02) = 9.082% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2940 (8.05, 3.96, 63.04 ppm): 4 chemical-shift based assignments, quality = 0.976, support = 2.76, residual support = 13.6: O HN SER 85 - QB SER 85 25.000% * 98.4885% (0.98 10.0 2.80 13.85) = 98.489% kept HN GLN 32 - QB SER 85 25.000% * 1.4891% (0.73 1.0 0.41 0.02) = 1.489% kept HN SER 85 - QB SER 48 25.000% * 0.0129% (0.13 1.0 0.02 0.02) = 0.013% HN GLN 32 - QB SER 48 25.000% * 0.0095% (0.09 1.0 0.02 0.02) = 0.010% Peak 2941 (8.30, 3.96, 63.04 ppm): 6 chemical-shift based assignments, quality = 0.729, support = 2.51, residual support = 7.22: HN ASP- 86 - QB SER 85 16.667% * 79.1209% (0.73 3.06 9.08) = 79.121% kept HN GLN 30 - QB SER 85 16.667% * 12.1959% (0.61 0.56 0.31) = 12.196% kept HN GLU- 29 - QB SER 85 16.667% * 8.4701% (0.96 0.25 0.02) = 8.470% kept HN GLU- 29 - QB SER 48 16.667% * 0.0890% (0.12 0.02 0.02) = 0.089% HN ASP- 86 - QB SER 48 16.667% * 0.0676% (0.09 0.02 0.02) = 0.068% HN GLN 30 - QB SER 48 16.667% * 0.0565% (0.08 0.02 0.02) = 0.056% Peak 2942 (8.67, 3.96, 63.04 ppm): 4 chemical-shift based assignments, quality = 0.453, support = 0.02, residual support = 0.02: HN SER 117 - QB SER 85 25.000% * 60.6519% (0.61 0.02 0.02) = 60.652% kept HN GLY 16 - QB SER 85 25.000% * 27.8032% (0.28 0.02 0.02) = 27.803% kept HN SER 117 - QB SER 48 25.000% * 7.9161% (0.08 0.02 0.02) = 7.916% kept HN GLY 16 - QB SER 48 25.000% * 3.6288% (0.04 0.02 0.02) = 3.629% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2943 (8.05, 4.28, 61.37 ppm): 2 chemical-shift based assignments, quality = 0.977, support = 2.63, residual support = 13.7: O HN SER 85 - HA SER 85 50.000% * 98.7078% (0.98 10.0 2.66 13.85) = 98.708% kept HN GLN 32 - HA SER 85 50.000% * 1.2922% (0.73 1.0 0.35 0.02) = 1.292% kept Peak 2944 (8.31, 2.44, 40.49 ppm): 6 chemical-shift based assignments, quality = 0.876, support = 3.07, residual support = 31.3: O HN ASP- 86 - HB3 ASP- 86 16.667% * 97.6126% (0.88 10.0 3.14 32.07) = 97.613% kept HN GLN 30 - HB3 ASP- 86 16.667% * 1.2146% (0.96 1.0 0.23 0.57) = 1.215% kept HN GLU- 29 - HB3 ASP- 86 16.667% * 1.0811% (0.28 1.0 0.70 0.16) = 1.081% kept HN GLU- 14 - HB3 ASP- 86 16.667% * 0.0475% (0.43 1.0 0.02 0.02) = 0.048% HE1 HIS 122 - HB3 ASP- 86 16.667% * 0.0261% (0.24 1.0 0.02 0.02) = 0.026% HN LYS+ 99 - HB3 ASP- 86 16.667% * 0.0182% (0.16 1.0 0.02 0.15) = 0.018% Peak 2945 (8.32, 2.94, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.239, support = 3.76, residual support = 27.6: O HN ASP- 86 - HB2 ASP- 86 20.000% * 85.9621% (0.20 10.0 4.25 32.07) = 85.962% kept HN GLN 30 - HB2 ASP- 86 20.000% * 7.4395% (0.28 1.0 1.23 0.57) = 7.439% kept HN LYS+ 99 - HB2 ASP- 86 20.000% * 5.7631% (0.84 1.0 0.32 0.15) = 5.763% kept HN GLU- 14 - HB2 ASP- 86 20.000% * 0.4344% (1.00 1.0 0.02 0.02) = 0.434% HE1 HIS 122 - HB2 ASP- 86 20.000% * 0.4010% (0.92 1.0 0.02 0.02) = 0.401% Peak 2946 (7.73, 2.94, 40.49 ppm): 5 chemical-shift based assignments, quality = 0.479, support = 2.53, residual support = 8.41: HE3 TRP 87 - HB2 ASP- 86 20.000% * 68.8010% (0.32 3.53 12.19) = 68.801% kept HN ALA 61 - HB2 ASP- 86 20.000% * 20.5907% (0.78 0.44 0.10) = 20.591% kept HN TRP 27 - HB2 ASP- 86 20.000% * 6.1958% (0.92 0.11 0.02) = 6.196% kept HN ALA 91 - HB2 ASP- 86 20.000% * 4.2499% (0.88 0.08 0.02) = 4.250% kept HN THR 39 - HB2 ASP- 86 20.000% * 0.1625% (0.14 0.02 0.02) = 0.163% Peak 2947 (3.83, 2.94, 40.49 ppm): 3 chemical-shift based assignments, quality = 0.853, support = 0.581, residual support = 0.533: HD3 PRO 52 - HB2 ASP- 86 33.333% * 38.5316% (0.84 0.67 0.47) = 38.532% kept HA GLN 30 - HB2 ASP- 86 33.333% * 35.4955% (0.92 0.56 0.57) = 35.495% kept HB2 CYS 53 - HB2 ASP- 86 33.333% * 25.9729% (0.78 0.48 0.58) = 25.973% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2948 (8.32, 4.30, 57.50 ppm): 5 chemical-shift based assignments, quality = 0.322, support = 3.1, residual support = 25.2: O HN ASP- 86 - HA ASP- 86 20.000% * 78.4377% (0.20 10.0 3.66 32.07) = 78.438% kept HN LYS+ 99 - HA ASP- 86 20.000% * 19.5343% (0.84 1.0 1.18 0.15) = 19.534% kept HN GLN 30 - HA ASP- 86 20.000% * 1.2658% (0.28 1.0 0.23 0.57) = 1.266% kept HN GLU- 14 - HA ASP- 86 20.000% * 0.3964% (1.00 1.0 0.02 0.02) = 0.396% HE1 HIS 122 - HA ASP- 86 20.000% * 0.3659% (0.92 1.0 0.02 0.02) = 0.366% Peak 2949 (7.72, 4.34, 57.63 ppm): 4 chemical-shift based assignments, quality = 0.946, support = 2.97, residual support = 51.9: HE3 TRP 87 - HA TRP 87 25.000% * 82.5424% (0.98 3.48 62.78) = 82.542% kept HN ALA 61 - HA TRP 87 25.000% * 13.9071% (0.84 0.69 0.39) = 13.907% kept HN ALA 91 - HA TRP 87 25.000% * 2.9131% (0.73 0.17 0.02) = 2.913% kept HN TRP 27 - HA TRP 87 25.000% * 0.6375% (0.24 0.11 3.96) = 0.637% Peak 2950 (7.72, 3.41, 28.05 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 3.42, residual support = 60.6: O HE3 TRP 87 - HB2 TRP 87 25.000% * 96.5653% (0.98 10.0 3.52 62.78) = 96.565% kept HN ALA 61 - HB2 TRP 87 25.000% * 2.8183% (0.84 1.0 0.68 0.39) = 2.818% kept HN ALA 91 - HB2 TRP 87 25.000% * 0.5932% (0.73 1.0 0.17 0.02) = 0.593% HN TRP 27 - HB2 TRP 87 25.000% * 0.0232% (0.24 1.0 0.02 3.96) = 0.023% Peak 2951 (7.72, 2.50, 28.05 ppm): 4 chemical-shift based assignments, quality = 0.968, support = 3.04, residual support = 58.5: O HE3 TRP 87 - HB3 TRP 87 25.000% * 93.1374% (0.98 10.0 3.19 62.78) = 93.137% kept HN ALA 61 - HB3 TRP 87 25.000% * 4.6219% (0.84 1.0 1.16 0.39) = 4.622% kept HN ALA 91 - HB3 TRP 87 25.000% * 2.2183% (0.73 1.0 0.64 0.02) = 2.218% kept HN TRP 27 - HB3 TRP 87 25.000% * 0.0224% (0.24 1.0 0.02 3.96) = 0.022% Peak 2952 (0.08, 3.41, 28.05 ppm): 3 chemical-shift based assignments, quality = 0.836, support = 1.64, residual support = 7.63: QD1 ILE 89 - HB2 TRP 87 33.333% * 52.2962% (0.78 2.13 10.57) = 52.296% kept QG2 VAL 83 - HB2 TRP 87 33.333% * 37.8783% (1.00 1.21 5.19) = 37.878% kept QD2 LEU 31 - HB2 TRP 87 33.333% * 9.8255% (0.49 0.64 1.36) = 9.825% kept Peak 2953 (0.11, 2.50, 28.05 ppm): 1 chemical-shift based assignment, quality = 0.164, support = 2.11, residual support = 10.6: T QD1 ILE 89 - HB3 TRP 87 100.000% *100.0000% (0.16 10.00 2.11 10.57) = 100.000% kept Peak 2954 (1.25, 2.50, 28.05 ppm): 7 chemical-shift based assignments, quality = 0.758, support = 0.0658, residual support = 0.117: QG2 THR 39 - HB3 TRP 87 14.286% * 48.6009% (0.73 0.11 0.02) = 48.601% kept HG13 ILE 19 - HB3 TRP 87 14.286% * 11.6500% (1.00 0.02 0.02) = 11.650% kept HG3 LYS+ 99 - HB3 TRP 87 14.286% * 9.7797% (0.84 0.02 0.02) = 9.780% kept HG2 LYS+ 74 - HB3 TRP 87 14.286% * 9.1642% (0.78 0.02 0.02) = 9.164% kept QB ALA 91 - HB3 TRP 87 14.286% * 8.5020% (0.73 0.02 0.02) = 8.502% kept HG LEU 71 - HB3 TRP 87 14.286% * 8.5020% (0.73 0.02 0.53) = 8.502% kept HG3 LYS+ 38 - HB3 TRP 87 14.286% * 3.8012% (0.32 0.02 1.42) = 3.801% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2955 (7.84, 3.98, 52.68 ppm): 4 chemical-shift based assignments, quality = 0.675, support = 0.644, residual support = 0.566: HN ASP- 62 - HA ALA 88 25.000% * 35.2191% (0.61 0.78 0.62) = 35.219% kept HN PHE 55 - HA ALA 88 25.000% * 31.5710% (0.73 0.58 0.37) = 31.571% kept HN LEU 31 - HA ALA 88 25.000% * 31.5710% (0.73 0.58 0.73) = 31.571% kept HN ARG+ 54 - HA ALA 88 25.000% * 1.6390% (0.16 0.13 0.02) = 1.639% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2956 (7.84, 1.31, 16.77 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 0.816, residual support = 0.573: HN ASP- 62 - QB ALA 88 25.000% * 43.4990% (0.61 1.12 0.62) = 43.499% kept HN PHE 55 - QB ALA 88 25.000% * 27.5604% (0.73 0.59 0.37) = 27.560% kept HN LEU 31 - QB ALA 88 25.000% * 27.5604% (0.73 0.59 0.73) = 27.560% kept HN ARG+ 54 - QB ALA 88 25.000% * 1.3802% (0.16 0.13 0.02) = 1.380% kept Peak 2957 (0.10, 3.87, 59.74 ppm): 2 chemical-shift based assignments, quality = 0.822, support = 5.26, residual support = 174.2: QD1 ILE 89 - HA ILE 89 50.000% * 96.8367% (0.84 5.42 179.91) = 96.837% kept QG2 VAL 83 - HA ILE 89 50.000% * 3.1633% (0.43 0.34 0.74) = 3.163% kept Peak 2958 (8.62, 3.87, 59.74 ppm): 3 chemical-shift based assignments, quality = 0.977, support = 4.6, residual support = 21.9: O HN GLN 90 - HA ILE 89 33.333% * 99.6402% (0.98 10.0 4.61 22.03) = 99.640% kept HN ILE 103 - HA ILE 89 33.333% * 0.3431% (0.78 1.0 0.09 0.02) = 0.343% HN SER 82 - HA ILE 89 33.333% * 0.0167% (0.16 1.0 0.02 0.02) = 0.017% Peak 2959 (7.92, 3.87, 59.74 ppm): 4 chemical-shift based assignments, quality = 0.59, support = 5.0, residual support = 151.4: O HN ILE 89 - HA ILE 89 25.000% * 83.8929% (0.55 10.0 5.73 179.91) = 83.893% kept HN ILE 119 - HA ILE 89 25.000% * 9.4941% (0.88 1.0 1.40 4.52) = 9.494% kept HN CYS 21 - HA ILE 89 25.000% * 6.1964% (0.78 1.0 1.03 0.43) = 6.196% kept HN SER 37 - HA ILE 89 25.000% * 0.4166% (0.28 1.0 0.20 0.02) = 0.417% Peak 2960 (7.73, 3.87, 59.74 ppm): 5 chemical-shift based assignments, quality = 0.881, support = 1.85, residual support = 3.67: HN ALA 91 - HA ILE 89 20.000% * 68.8384% (0.88 2.40 5.28) = 68.838% kept HN TRP 27 - HA ILE 89 20.000% * 22.4786% (0.92 0.75 0.16) = 22.479% kept HN ALA 61 - HA ILE 89 20.000% * 8.3844% (0.78 0.33 0.02) = 8.384% kept HE3 TRP 87 - HA ILE 89 20.000% * 0.2108% (0.32 0.02 10.57) = 0.211% HN THR 39 - HA ILE 89 20.000% * 0.0879% (0.14 0.02 0.02) = 0.088% Peak 2961 (0.10, 1.74, 34.76 ppm): 2 chemical-shift based assignments, quality = 0.501, support = 4.9, residual support = 175.5: O T QD1 ILE 89 - HB ILE 89 50.000% * 97.5344% (0.51 10.0 10.00 5.00 179.91) = 97.534% kept QG2 VAL 83 - HB ILE 89 50.000% * 2.4656% (0.26 1.0 1.00 0.98 0.74) = 2.466% kept Peak 2962 (-0.07, 1.74, 34.76 ppm): 1 chemical-shift based assignment, quality = 0.58, support = 4.97, residual support = 179.9: O T HG13 ILE 89 - HB ILE 89 100.000% *100.0000% (0.58 10.0 10.00 4.97 179.91) = 100.000% kept Peak 2963 (7.92, 1.74, 34.76 ppm): 4 chemical-shift based assignments, quality = 0.364, support = 4.61, residual support = 146.4: O HN ILE 89 - HB ILE 89 25.000% * 81.0301% (0.33 10.0 5.31 179.91) = 81.030% kept HN ILE 119 - HB ILE 89 25.000% * 12.5099% (0.54 1.0 1.91 4.52) = 12.510% kept HN CYS 21 - HB ILE 89 25.000% * 6.0576% (0.47 1.0 1.04 0.43) = 6.058% kept HN SER 37 - HB ILE 89 25.000% * 0.4024% (0.17 1.0 0.20 0.02) = 0.402% Peak 2964 (5.61, 0.63, 17.89 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02: HA LYS+ 106 - QG2 ILE 89 100.000% *100.0000% (0.14 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2965 (7.75, 0.63, 17.89 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 1.1, residual support = 5.1: HN GLU- 36 - QG2 ILE 89 25.000% * 56.5367% (0.88 1.25 1.16) = 56.537% kept HD1 TRP 87 - QG2 ILE 89 25.000% * 41.9906% (0.88 0.93 10.57) = 41.991% kept HN THR 39 - QG2 ILE 89 25.000% * 0.8532% (0.84 0.02 0.02) = 0.853% HN LYS+ 102 - QG2 ILE 89 25.000% * 0.6195% (0.61 0.02 0.02) = 0.620% Peak 2966 (8.63, 0.63, 17.89 ppm): 3 chemical-shift based assignments, quality = 0.401, support = 4.38, residual support = 18.5: HN GLN 90 - QG2 ILE 89 33.333% * 84.0133% (0.32 5.15 22.03) = 84.013% kept HN SER 82 - QG2 ILE 89 33.333% * 15.3999% (0.84 0.37 0.02) = 15.400% kept HN ILE 103 - QG2 ILE 89 33.333% * 0.5868% (0.14 0.09 0.02) = 0.587% Peak 2967 (3.06, 0.63, 17.89 ppm): 3 chemical-shift based assignments, quality = 0.927, support = 0.83, residual support = 6.04: T HB2 PHE 45 - QG2 ILE 89 33.333% * 93.4123% (0.92 10.00 0.85 6.43) = 93.412% kept QE LYS+ 111 - QG2 ILE 89 33.333% * 6.5316% (1.00 1.00 0.55 0.52) = 6.532% kept HB2 CYS 21 - QG2 ILE 89 33.333% * 0.0561% (0.24 1.00 0.02 0.43) = 0.056% Peak 2968 (2.29, 0.63, 17.89 ppm): 5 chemical-shift based assignments, quality = 0.48, support = 0.486, residual support = 0.794: HG3 GLU- 36 - QG2 ILE 89 20.000% * 67.7970% (0.49 0.64 1.16) = 67.797% kept HG2 MET 92 - QG2 ILE 89 20.000% * 22.8919% (0.49 0.22 0.02) = 22.892% kept HB2 GLU- 79 - QG2 ILE 89 20.000% * 4.7558% (0.28 0.08 0.02) = 4.756% kept QB MET 11 - QG2 ILE 89 20.000% * 2.9151% (0.67 0.02 0.02) = 2.915% kept QG GLU- 114 - QG2 ILE 89 20.000% * 1.6403% (0.38 0.02 0.02) = 1.640% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2969 (2.44, 0.63, 17.89 ppm): 5 chemical-shift based assignments, quality = 0.27, support = 1.1, residual support = 5.63: T HB3 PHE 45 - QG2 ILE 89 20.000% * 87.5478% (0.20 10.00 1.23 6.43) = 87.548% kept HB3 ASP- 86 - QG2 ILE 89 20.000% * 8.4753% (1.00 1.00 0.24 0.02) = 8.475% kept QE LYS+ 112 - QG2 ILE 89 20.000% * 1.8334% (0.20 1.00 0.26 0.02) = 1.833% kept HB3 ASP- 62 - QG2 ILE 89 20.000% * 1.4791% (0.55 1.00 0.08 0.02) = 1.479% kept HG2 GLU- 29 - QG2 ILE 89 20.000% * 0.6644% (0.92 1.00 0.02 0.02) = 0.664% Peak 2970 (1.34, 0.63, 17.89 ppm): 11 chemical-shift based assignments, quality = 0.691, support = 1.03, residual support = 1.83: HG2 LYS+ 111 - QG2 ILE 89 9.091% * 38.5886% (0.92 1.27 0.52) = 38.589% kept HB3 ASP- 44 - QG2 ILE 89 9.091% * 14.0236% (0.73 0.58 0.10) = 14.024% kept QB ALA 84 - QG2 ILE 89 9.091% * 13.6087% (0.20 2.08 11.71) = 13.609% kept HB2 LEU 31 - QG2 ILE 89 9.091% * 12.9425% (0.98 0.40 0.02) = 12.943% kept HG2 LYS+ 99 - QG2 ILE 89 9.091% * 11.2459% (0.55 0.62 0.12) = 11.246% kept HB3 PRO 93 - QG2 ILE 89 9.091% * 4.8310% (0.16 0.89 0.02) = 4.831% kept HG LEU 98 - QG2 ILE 89 9.091% * 2.9602% (0.32 0.28 0.02) = 2.960% kept HB3 LEU 80 - QG2 ILE 89 9.091% * 0.6474% (0.98 0.02 0.02) = 0.647% HB2 LEU 63 - QG2 ILE 89 9.091% * 0.5829% (0.88 0.02 0.02) = 0.583% QB ALA 124 - QG2 ILE 89 9.091% * 0.3215% (0.49 0.02 0.02) = 0.321% HG2 LYS+ 38 - QG2 ILE 89 9.091% * 0.2479% (0.38 0.02 0.02) = 0.248% Peak 2971 (-0.07, 0.63, 17.89 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 5.37, residual support = 179.9: O T HG13 ILE 89 - QG2 ILE 89 100.000% *100.0000% (0.96 10.0 10.00 5.37 179.91) = 100.000% kept Peak 2972 (0.10, 0.63, 17.89 ppm): 2 chemical-shift based assignments, quality = 0.826, support = 5.31, residual support = 175.8: T QD1 ILE 89 - QG2 ILE 89 50.000% * 97.7169% (0.84 10.00 5.41 179.91) = 97.717% kept QG2 VAL 83 - QG2 ILE 89 50.000% * 2.2831% (0.43 1.00 0.91 0.74) = 2.283% kept Peak 2973 (0.10, 1.22, 26.04 ppm): 2 chemical-shift based assignments, quality = 0.831, support = 4.95, residual support = 178.1: O T QD1 ILE 89 - HG12 ILE 89 50.000% * 98.9791% (0.84 10.0 10.00 5.00 179.91) = 98.979% kept QG2 VAL 83 - HG12 ILE 89 50.000% * 1.0209% (0.43 1.0 1.00 0.40 0.74) = 1.021% kept Peak 2974 (-0.07, 1.22, 26.04 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.97, residual support = 179.9: O T HG13 ILE 89 - HG12 ILE 89 100.000% *100.0000% (0.96 10.0 10.00 4.97 179.91) = 100.000% kept Peak 2975 (0.08, -0.08, 26.04 ppm): 3 chemical-shift based assignments, quality = 0.803, support = 4.63, residual support = 162.6: O T QD1 ILE 89 - HG13 ILE 89 33.333% * 90.3251% (0.78 10.0 10.00 4.95 179.91) = 90.325% kept QG2 VAL 83 - HG13 ILE 89 33.333% * 9.6187% (1.00 1.0 1.00 1.67 0.74) = 9.619% kept QD2 LEU 31 - HG13 ILE 89 33.333% * 0.0562% (0.49 1.0 1.00 0.02 0.02) = 0.056% Peak 2976 (0.64, -0.08, 26.04 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 5.37, residual support = 179.9: O T QG2 ILE 89 - HG13 ILE 89 100.000% *100.0000% (0.67 10.0 10.00 5.37 179.91) = 100.000% kept Peak 2977 (1.75, -0.08, 26.04 ppm): 2 chemical-shift based assignments, quality = 0.198, support = 4.97, residual support = 179.7: O T HB ILE 89 - HG13 ILE 89 50.000% * 99.9001% (0.20 10.0 10.00 4.97 179.91) = 99.900% kept HB VAL 43 - HG13 ILE 89 50.000% * 0.0999% (0.20 1.0 1.00 0.02 0.02) = 0.100% Peak 2978 (7.92, -0.08, 26.04 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 3.6, residual support = 106.2: HN ILE 89 - HG13 ILE 89 25.000% * 58.3182% (0.55 5.27 179.91) = 58.318% kept HN ILE 119 - HG13 ILE 89 25.000% * 27.1511% (0.88 1.52 4.52) = 27.151% kept HN CYS 21 - HG13 ILE 89 25.000% * 13.4326% (0.78 0.85 0.43) = 13.433% kept HN SER 37 - HG13 ILE 89 25.000% * 1.0981% (0.28 0.20 0.02) = 1.098% kept Peak 2979 (7.92, 1.22, 26.04 ppm): 4 chemical-shift based assignments, quality = 0.672, support = 3.62, residual support = 103.6: HN ILE 89 - HG12 ILE 89 25.000% * 56.8302% (0.55 5.31 179.91) = 56.830% kept HN ILE 119 - HG12 ILE 89 25.000% * 28.8065% (0.88 1.67 4.52) = 28.806% kept HN CYS 21 - HG12 ILE 89 25.000% * 13.3011% (0.78 0.87 0.43) = 13.301% kept HN SER 37 - HG12 ILE 89 25.000% * 1.0622% (0.28 0.20 0.02) = 1.062% kept Peak 2980 (-0.07, 0.09, 9.19 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.95, residual support = 179.9: O T HG13 ILE 89 - QD1 ILE 89 100.000% *100.0000% (0.96 10.0 10.00 4.95 179.91) = 100.000% kept Peak 2981 (0.64, 0.09, 9.19 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 5.41, residual support = 179.9: T QG2 ILE 89 - QD1 ILE 89 100.000% *100.0000% (0.67 10.00 5.41 179.91) = 100.000% kept Peak 2982 (1.22, 0.09, 9.19 ppm): 5 chemical-shift based assignments, quality = 0.993, support = 4.99, residual support = 179.6: O T HG12 ILE 89 - QD1 ILE 89 20.000% * 99.8441% (1.00 10.0 10.00 5.00 179.91) = 99.844% kept HG3 LYS+ 111 - QD1 ILE 89 20.000% * 0.0959% (0.96 1.0 1.00 0.02 0.52) = 0.096% HG LEU 71 - QD1 ILE 89 20.000% * 0.0237% (0.24 1.0 1.00 0.02 0.02) = 0.024% HG2 LYS+ 74 - QD1 ILE 89 20.000% * 0.0199% (0.20 1.0 1.00 0.02 0.02) = 0.020% HG3 LYS+ 99 - QD1 ILE 89 20.000% * 0.0165% (0.16 1.0 1.00 0.02 0.12) = 0.017% Peak 2983 (1.75, 0.09, 9.19 ppm): 2 chemical-shift based assignments, quality = 0.198, support = 4.91, residual support = 176.6: O T HB ILE 89 - QD1 ILE 89 50.000% * 98.1572% (0.20 10.0 10.00 5.00 179.91) = 98.157% kept HB VAL 43 - QD1 ILE 89 50.000% * 1.8428% (0.20 1.0 1.00 0.38 0.02) = 1.843% kept Peak 2984 (1.95, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.262, support = 1.37, residual support = 3.95: T HB3 MET 96 - QD1 ILE 89 25.000% * 94.3715% (0.24 10.00 1.44 4.18) = 94.371% kept HB2 LEU 40 - QD1 ILE 89 25.000% * 5.0450% (0.78 1.00 0.23 0.02) = 5.045% kept HB3 ARG+ 54 - QD1 ILE 89 25.000% * 0.4032% (0.73 1.00 0.02 0.02) = 0.403% HB VAL 18 - QD1 ILE 89 25.000% * 0.1803% (0.32 1.00 0.02 0.02) = 0.180% Peak 2985 (2.49, 0.09, 9.19 ppm): 2 chemical-shift based assignments, quality = 0.55, support = 2.05, residual support = 10.2: T HB3 TRP 87 - QD1 ILE 89 50.000% * 96.3855% (0.55 10.00 2.11 10.57) = 96.385% kept HG3 GLN 116 - QD1 ILE 89 50.000% * 3.6145% (0.67 1.00 0.61 0.42) = 3.615% kept Peak 2986 (3.90, 0.09, 9.19 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02: HA PHE 60 - QD1 ILE 89 100.000% *100.0000% (0.28 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2987 (6.84, 0.09, 9.19 ppm): 3 chemical-shift based assignments, quality = 0.635, support = 0.877, residual support = 2.85: HE22 GLN 116 - QD1 ILE 89 33.333% * 56.4218% (0.96 0.39 0.42) = 56.422% kept QD PHE 45 - QD1 ILE 89 33.333% * 40.5925% (0.16 1.62 6.43) = 40.592% kept HD2 HIS 122 - QD1 ILE 89 33.333% * 2.9858% (0.98 0.02 0.02) = 2.986% kept Peak 2988 (7.69, 0.09, 9.19 ppm): 3 chemical-shift based assignments, quality = 0.916, support = 2.08, residual support = 10.4: HN TRP 87 - QD1 ILE 89 33.333% * 98.1134% (0.92 2.12 10.57) = 98.113% kept HN GLN 17 - QD1 ILE 89 33.333% * 1.0022% (1.00 0.02 0.02) = 1.002% kept HD21 ASN 69 - QD1 ILE 89 33.333% * 0.8844% (0.88 0.02 0.02) = 0.884% Peak 2989 (7.92, 0.09, 9.19 ppm): 4 chemical-shift based assignments, quality = 0.666, support = 3.62, residual support = 106.6: HN ILE 89 - QD1 ILE 89 25.000% * 58.5219% (0.55 5.29 179.91) = 58.522% kept HN ILE 119 - QD1 ILE 89 25.000% * 27.0369% (0.88 1.51 4.52) = 27.037% kept HN CYS 21 - QD1 ILE 89 25.000% * 13.3423% (0.78 0.84 0.43) = 13.342% kept HN SER 37 - QD1 ILE 89 25.000% * 1.0988% (0.28 0.20 0.02) = 1.099% kept Peak 2990 (8.61, 2.27, 34.07 ppm): 3 chemical-shift based assignments, quality = 0.448, support = 4.28, residual support = 63.2: HN GLN 90 - QG GLN 90 33.333% * 88.5310% (0.43 4.80 71.31) = 88.531% kept HN ILE 103 - QG GLN 90 33.333% * 9.0756% (0.65 0.32 0.54) = 9.076% kept HN GLY 109 - QG GLN 90 33.333% * 2.3934% (0.43 0.13 0.02) = 2.393% kept Peak 2991 (8.62, 1.87, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.651, support = 5.28, residual support = 69.6: O HN GLN 90 - HB3 GLN 90 33.333% * 97.6169% (0.65 10.0 5.40 71.31) = 97.617% kept HN ILE 103 - HB3 GLN 90 33.333% * 2.3667% (0.52 1.0 0.61 0.54) = 2.367% kept HN SER 82 - HB3 GLN 90 33.333% * 0.0164% (0.11 1.0 0.02 0.02) = 0.016% Peak 2992 (8.04, 2.15, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.284, support = 0.56, residual support = 0.482: HN SER 85 - HB3 GLU- 79 25.000% * 64.1703% (0.30 0.68 0.74) = 64.170% kept HN THR 94 - HB2 GLN 90 25.000% * 32.2179% (0.26 0.39 0.02) = 32.218% kept HN SER 85 - HB2 GLN 90 25.000% * 2.1232% (0.33 0.02 0.02) = 2.123% kept HN THR 94 - HB3 GLU- 79 25.000% * 1.4887% (0.23 0.02 0.02) = 1.489% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 2993 (4.27, 2.15, 31.73 ppm): 18 chemical-shift based assignments, quality = 0.508, support = 4.29, residual support = 40.1: O T HA GLU- 79 - HB3 GLU- 79 5.556% * 95.6912% (0.52 10.0 10.00 4.46 41.85) = 95.691% kept HA SER 85 - HB3 GLU- 79 5.556% * 2.2767% (0.33 1.0 1.00 0.75 0.74) = 2.277% kept T HA GLU- 79 - HB2 GLN 90 5.556% * 1.0736% (0.58 1.0 10.00 0.02 0.02) = 1.074% kept HA THR 39 - HB2 GLN 90 5.556% * 0.0991% (0.54 1.0 1.00 0.02 0.02) = 0.099% HA THR 39 - HB3 GLU- 79 5.556% * 0.0883% (0.48 1.0 1.00 0.02 0.02) = 0.088% HA ILE 103 - HB2 GLN 90 5.556% * 0.0879% (0.47 1.0 1.00 0.02 0.54) = 0.088% HA1 GLY 51 - HB2 GLN 90 5.556% * 0.0815% (0.44 1.0 1.00 0.02 0.02) = 0.082% HA ILE 103 - HB3 GLU- 79 5.556% * 0.0783% (0.42 1.0 1.00 0.02 0.02) = 0.078% HA1 GLY 51 - HB3 GLU- 79 5.556% * 0.0727% (0.39 1.0 1.00 0.02 0.02) = 0.073% HB THR 77 - HB2 GLN 90 5.556% * 0.0681% (0.37 1.0 1.00 0.02 0.10) = 0.068% HA SER 85 - HB2 GLN 90 5.556% * 0.0681% (0.37 1.0 1.00 0.02 0.02) = 0.068% HB THR 77 - HB3 GLU- 79 5.556% * 0.0607% (0.33 1.0 1.00 0.02 0.02) = 0.061% HA ASP- 44 - HB2 GLN 90 5.556% * 0.0547% (0.30 1.0 1.00 0.02 0.02) = 0.055% HA ASP- 44 - HB3 GLU- 79 5.556% * 0.0487% (0.26 1.0 1.00 0.02 0.02) = 0.049% HA MET 11 - HB2 GLN 90 5.556% * 0.0482% (0.26 1.0 1.00 0.02 0.02) = 0.048% HA MET 11 - HB3 GLU- 79 5.556% * 0.0430% (0.23 1.0 1.00 0.02 0.02) = 0.043% HA ALA 57 - HB2 GLN 90 5.556% * 0.0312% (0.17 1.0 1.00 0.02 0.02) = 0.031% HA ALA 57 - HB3 GLU- 79 5.556% * 0.0278% (0.15 1.0 1.00 0.02 0.02) = 0.028% Peak 2994 (1.30, 2.27, 34.07 ppm): 2 chemical-shift based assignments, quality = 0.718, support = 0.106, residual support = 0.0945: QG2 THR 77 - QG GLN 90 50.000% * 92.5966% (0.75 0.11 0.10) = 92.597% kept QB ALA 88 - QG GLN 90 50.000% * 7.4034% (0.34 0.02 0.02) = 7.403% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2995 (1.53, 2.27, 34.07 ppm): 6 chemical-shift based assignments, quality = 0.742, support = 0.0786, residual support = 0.02: HD3 LYS+ 74 - QG GLN 90 16.667% * 43.3237% (0.78 0.10 0.02) = 43.324% kept HG LEU 104 - QG GLN 90 16.667% * 35.6481% (0.75 0.09 0.02) = 35.648% kept HB3 LYS+ 111 - QG GLN 90 16.667% * 8.6467% (0.78 0.02 0.02) = 8.647% kept HB3 LYS+ 121 - QG GLN 90 16.667% * 8.2662% (0.75 0.02 0.02) = 8.266% kept QD LYS+ 66 - QG GLN 90 16.667% * 2.4041% (0.22 0.02 0.02) = 2.404% kept HG2 LYS+ 33 - QG GLN 90 16.667% * 1.7112% (0.15 0.02 0.02) = 1.711% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 2996 (2.26, 1.89, 34.43 ppm): 8 chemical-shift based assignments, quality = 0.524, support = 2.22, residual support = 34.7: O HG3 MET 92 - HB2 MET 92 12.500% * 67.3161% (0.49 10.0 1.00 2.96 51.31) = 67.316% kept T QG GLN 90 - HB2 MET 92 12.500% * 26.7760% (0.61 1.0 10.00 0.64 0.29) = 26.776% kept HB2 ASP- 44 - HB2 MET 92 12.500% * 3.2822% (0.32 1.0 1.00 1.46 3.49) = 3.282% kept HG12 ILE 119 - HB2 MET 92 12.500% * 2.3868% (1.00 1.0 1.00 0.35 0.02) = 2.387% kept HB2 GLU- 29 - HB2 MET 92 12.500% * 0.0922% (0.67 1.0 1.00 0.02 0.02) = 0.092% HB3 PHE 72 - HB2 MET 92 12.500% * 0.0673% (0.49 1.0 1.00 0.02 0.02) = 0.067% QG GLU- 14 - HB2 MET 92 12.500% * 0.0519% (0.38 1.0 1.00 0.02 0.02) = 0.052% QG GLU- 15 - HB2 MET 92 12.500% * 0.0274% (0.20 1.0 1.00 0.02 0.02) = 0.027% Peak 2997 (8.47, 1.89, 34.43 ppm): 4 chemical-shift based assignments, quality = 0.824, support = 3.84, residual support = 49.0: O HN MET 92 - HB2 MET 92 25.000% * 95.5243% (0.84 10.0 3.97 51.31) = 95.524% kept HN LYS+ 74 - HB2 MET 92 25.000% * 4.3431% (0.61 1.0 1.25 0.58) = 4.343% kept HN THR 46 - HB2 MET 92 25.000% * 0.1138% (1.00 1.0 0.02 0.02) = 0.114% HN MET 11 - HB2 MET 92 25.000% * 0.0188% (0.16 1.0 0.02 0.02) = 0.019% Peak 2998 (4.89, 1.89, 34.43 ppm): 3 chemical-shift based assignments, quality = 0.341, support = 3.72, residual support = 47.4: O T HA MET 92 - HB2 MET 92 33.333% * 92.3071% (0.32 10.0 10.00 3.97 51.31) = 92.307% kept HA HIS 122 - HB2 MET 92 33.333% * 6.4670% (0.61 1.0 1.00 0.75 0.02) = 6.467% kept HA VAL 41 - HB2 MET 92 33.333% * 1.2260% (0.14 1.0 1.00 0.64 0.02) = 1.226% kept Peak 2999 (2.26, 1.69, 34.43 ppm): 8 chemical-shift based assignments, quality = 0.473, support = 2.83, residual support = 45.2: O HG3 MET 92 - HB3 MET 92 12.500% * 87.6169% (0.49 10.0 2.96 51.31) = 87.617% kept HB2 ASP- 44 - HB3 MET 92 12.500% * 7.9543% (0.32 1.0 2.72 3.49) = 7.954% kept QG GLN 90 - HB3 MET 92 12.500% * 3.4708% (0.61 1.0 0.64 0.29) = 3.471% kept QG GLU- 14 - HB3 MET 92 12.500% * 0.3740% (0.38 1.0 0.11 0.02) = 0.374% QG GLU- 15 - HB3 MET 92 12.500% * 0.1972% (0.20 1.0 0.11 0.02) = 0.197% HG12 ILE 119 - HB3 MET 92 12.500% * 0.1791% (1.00 1.0 0.02 0.02) = 0.179% HB2 GLU- 29 - HB3 MET 92 12.500% * 0.1201% (0.67 1.0 0.02 0.02) = 0.120% HB3 PHE 72 - HB3 MET 92 12.500% * 0.0876% (0.49 1.0 0.02 0.02) = 0.088% Peak 3000 (4.89, 1.69, 34.43 ppm): 3 chemical-shift based assignments, quality = 0.339, support = 3.71, residual support = 47.1: O T HA MET 92 - HB3 MET 92 33.333% * 91.7612% (0.32 10.0 10.00 3.97 51.31) = 91.761% kept HA HIS 122 - HB3 MET 92 33.333% * 6.4287% (0.61 1.0 1.00 0.75 0.02) = 6.429% kept HA VAL 41 - HB3 MET 92 33.333% * 1.8101% (0.14 1.0 1.00 0.95 0.02) = 1.810% kept Peak 3001 (4.89, 2.31, 33.13 ppm): 3 chemical-shift based assignments, quality = 0.329, support = 2.21, residual support = 50.4: O T HA MET 92 - HG2 MET 92 33.333% * 98.2419% (0.32 10.0 10.00 2.25 51.31) = 98.242% kept HA HIS 122 - HG2 MET 92 33.333% * 1.7172% (0.61 1.0 1.00 0.19 0.02) = 1.717% kept HA VAL 41 - HG2 MET 92 33.333% * 0.0410% (0.14 1.0 1.00 0.02 0.02) = 0.041% Peak 3002 (4.05, 1.26, 21.81 ppm): 6 chemical-shift based assignments, quality = 0.299, support = 0.505, residual support = 0.413: HA1 GLY 16 - QG2 THR 39 16.667% * 94.0349% (0.31 0.54 0.44) = 94.035% kept HA LYS+ 66 - QG2 THR 39 16.667% * 1.9231% (0.17 0.02 0.02) = 1.923% kept HA1 GLY 16 - QB ALA 91 16.667% * 1.6547% (0.15 0.02 0.02) = 1.655% kept HA1 GLY 16 - QG2 THR 23 16.667% * 0.9550% (0.09 0.02 0.02) = 0.955% HA LYS+ 66 - QB ALA 91 16.667% * 0.9081% (0.08 0.02 0.02) = 0.908% HA LYS+ 66 - QG2 THR 23 16.667% * 0.5241% (0.05 0.02 0.02) = 0.524% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3003 (8.45, 1.69, 34.43 ppm): 2 chemical-shift based assignments, quality = 0.832, support = 3.93, residual support = 50.7: O HN MET 92 - HB3 MET 92 50.000% * 98.8800% (0.84 10.0 3.97 51.31) = 98.880% kept HN THR 46 - HB3 MET 92 50.000% * 1.1200% (0.55 1.0 0.35 0.02) = 1.120% kept Peak 3004 (4.43, 1.69, 34.43 ppm): 4 chemical-shift based assignments, quality = 0.716, support = 0.02, residual support = 0.02: HA VAL 42 - HB3 MET 92 25.000% * 27.5451% (0.78 0.02 0.02) = 27.545% kept HA SER 37 - HB3 MET 92 25.000% * 25.5548% (0.73 0.02 0.02) = 25.555% kept HA GLN 17 - HB3 MET 92 25.000% * 25.5548% (0.73 0.02 0.02) = 25.555% kept HA THR 46 - HB3 MET 92 25.000% * 21.3452% (0.61 0.02 0.02) = 21.345% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3005 (4.91, 2.24, 33.13 ppm): 2 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 51.3: O T HA MET 92 - HG3 MET 92 50.000% * 99.9798% (0.98 10.0 10.00 3.97 51.31) = 99.980% kept HA LYS+ 74 - HG3 MET 92 50.000% * 0.0202% (0.20 1.0 1.00 0.02 0.58) = 0.020% Peak 3006 (8.45, 2.24, 33.13 ppm): 2 chemical-shift based assignments, quality = 0.831, support = 3.97, residual support = 50.6: HN MET 92 - HG3 MET 92 50.000% * 98.6162% (0.84 4.03 51.31) = 98.616% kept HN THR 46 - HG3 MET 92 50.000% * 1.3838% (0.55 0.09 0.02) = 1.384% kept Peak 3007 (6.88, 2.06, 34.10 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.969, residual support = 2.3: QD PHE 45 - HB2 PRO 93 100.000% *100.0000% (0.14 0.97 2.30) = 100.000% kept Not enough quality. Peak unassigned. Peak 3008 (8.03, 2.06, 34.10 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 4.3, residual support = 11.3: O HN THR 94 - HB2 PRO 93 50.000% * 99.9511% (1.00 10.0 4.30 11.35) = 99.951% kept HN GLU- 79 - HB2 PRO 93 50.000% * 0.0489% (0.49 1.0 0.02 0.02) = 0.049% Peak 3009 (6.88, 1.81, 24.81 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.969, residual support = 2.3: QD PHE 45 - HG2 PRO 93 100.000% *100.0000% (0.14 0.97 2.30) = 100.000% kept Not enough quality. Peak unassigned. Peak 3010 (2.05, 1.68, 24.81 ppm): 7 chemical-shift based assignments, quality = 0.66, support = 5.08, residual support = 119.3: O HB2 PRO 93 - HG3 PRO 93 14.286% * 98.8926% (0.67 10.0 1.00 5.14 120.60) = 98.893% kept T HG3 GLN 30 - HG3 PRO 93 14.286% * 0.4814% (0.32 1.0 10.00 0.02 0.02) = 0.481% HB VAL 108 - HG3 PRO 93 14.286% * 0.1475% (1.00 1.0 1.00 0.02 0.02) = 0.148% HB2 ARG+ 54 - HG3 PRO 93 14.286% * 0.1475% (1.00 1.0 1.00 0.02 0.02) = 0.148% HB ILE 119 - HG3 PRO 93 14.286% * 0.1161% (0.78 1.0 1.00 0.02 0.02) = 0.116% HB2 GLN 30 - HG3 PRO 93 14.286% * 0.1161% (0.78 1.0 1.00 0.02 0.02) = 0.116% HB3 GLU- 100 - HG3 PRO 93 14.286% * 0.0989% (0.67 1.0 1.00 0.02 0.02) = 0.099% Peak 3011 (1.82, 1.68, 24.81 ppm): 7 chemical-shift based assignments, quality = 0.957, support = 3.71, residual support = 115.3: O T HG2 PRO 93 - HG3 PRO 93 14.286% * 95.5983% (0.98 10.0 10.00 3.87 120.60) = 95.598% kept QB LYS+ 65 - HG3 PRO 93 14.286% * 1.9972% (0.55 1.0 1.00 0.75 0.95) = 1.997% kept QB LYS+ 66 - HG3 PRO 93 14.286% * 1.0207% (0.88 1.0 1.00 0.24 0.02) = 1.021% kept T QB LYS+ 102 - HG3 PRO 93 14.286% * 0.7082% (0.73 1.0 10.00 0.02 0.02) = 0.708% T HB VAL 41 - HG3 PRO 93 14.286% * 0.5915% (0.61 1.0 10.00 0.02 0.02) = 0.592% HB2 LEU 71 - HG3 PRO 93 14.286% * 0.0475% (0.49 1.0 1.00 0.02 0.02) = 0.047% HG12 ILE 103 - HG3 PRO 93 14.286% * 0.0366% (0.38 1.0 1.00 0.02 0.02) = 0.037% Peak 3012 (1.69, 1.81, 24.81 ppm): 8 chemical-shift based assignments, quality = 0.861, support = 3.73, residual support = 102.5: O T HG3 PRO 93 - HG2 PRO 93 12.500% * 84.8866% (0.88 10.0 10.00 3.87 120.60) = 84.887% kept HB3 MET 92 - HG2 PRO 93 12.500% * 13.4053% (0.84 1.0 1.00 3.34 0.75) = 13.405% kept T HD2 LYS+ 111 - HG2 PRO 93 12.500% * 0.9196% (0.96 1.0 10.00 0.02 0.02) = 0.920% T QD LYS+ 102 - HG2 PRO 93 12.500% * 0.5834% (0.61 1.0 10.00 0.02 0.02) = 0.583% HB2 LEU 123 - HG2 PRO 93 12.500% * 0.0888% (0.92 1.0 1.00 0.02 0.02) = 0.089% HB2 LEU 73 - HG2 PRO 93 12.500% * 0.0583% (0.61 1.0 1.00 0.02 0.02) = 0.058% QD LYS+ 106 - HG2 PRO 93 12.500% * 0.0312% (0.32 1.0 1.00 0.02 0.02) = 0.031% QD LYS+ 99 - HG2 PRO 93 12.500% * 0.0267% (0.28 1.0 1.00 0.02 0.26) = 0.027% Peak 3013 (3.33, 1.68, 24.81 ppm): 6 chemical-shift based assignments, quality = 0.919, support = 3.85, residual support = 120.1: O HD3 PRO 93 - HG3 PRO 93 16.667% * 99.5686% (0.92 10.0 3.87 120.60) = 99.569% kept QB PHE 55 - HG3 PRO 93 16.667% * 0.1073% (1.00 1.0 0.02 0.02) = 0.107% HD3 PRO 68 - HG3 PRO 93 16.667% * 0.1031% (0.96 1.0 0.02 0.02) = 0.103% HB2 PHE 59 - HG3 PRO 93 16.667% * 0.0901% (0.84 1.0 0.02 0.02) = 0.090% HB3 CYS 53 - HG3 PRO 93 16.667% * 0.0719% (0.67 1.0 0.02 0.02) = 0.072% HD2 ARG+ 54 - HG3 PRO 93 16.667% * 0.0589% (0.55 1.0 0.02 0.02) = 0.059% Peak 3014 (3.59, 1.68, 24.81 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 0.02, residual support = 0.02: HA THR 77 - HG3 PRO 93 100.000% *100.0000% (0.84 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3017 (6.89, 1.68, 24.81 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.471, residual support = 0.947: HN LYS+ 65 - HG3 PRO 93 100.000% *100.0000% (0.28 0.47 0.95) = 100.000% kept Peak 3018 (8.75, 3.58, 50.24 ppm): 2 chemical-shift based assignments, quality = 0.434, support = 1.14, residual support = 1.99: HN ALA 110 - HD2 PRO 93 50.000% * 77.6136% (0.47 1.31 1.90) = 77.614% kept HN PHE 45 - HD2 PRO 93 50.000% * 22.3864% (0.32 0.54 2.30) = 22.386% kept Peak 3019 (4.60, 3.58, 50.24 ppm): 5 chemical-shift based assignments, quality = 0.163, support = 0.658, residual support = 0.473: HA1 GLY 109 - HD2 PRO 93 20.000% * 80.3371% (0.11 0.81 0.58) = 80.337% kept HA LYS+ 102 - HD2 PRO 93 20.000% * 8.3304% (0.48 0.02 0.02) = 8.330% kept HA CYS 21 - HD2 PRO 93 20.000% * 6.0794% (0.35 0.02 0.02) = 6.079% kept HA TRP 49 - HD2 PRO 93 20.000% * 3.5963% (0.21 0.02 0.02) = 3.596% kept HA CYS 50 - HD2 PRO 93 20.000% * 1.6568% (0.10 0.02 0.02) = 1.657% kept Not enough quality. Peak unassigned. Peak 3020 (1.43, 3.58, 50.24 ppm): 9 chemical-shift based assignments, quality = 0.414, support = 1.01, residual support = 1.0: QB ALA 110 - HD2 PRO 93 11.111% * 50.8328% (0.43 1.53 1.90) = 50.833% kept HG LEU 80 - HD2 PRO 93 11.111% * 21.5401% (0.45 0.62 0.13) = 21.540% kept HG12 ILE 19 - HD2 PRO 93 11.111% * 12.6082% (0.38 0.43 0.02) = 12.608% kept HB3 LEU 67 - HD2 PRO 93 11.111% * 11.4180% (0.43 0.34 0.02) = 11.418% kept HB2 LEU 80 - HD2 PRO 93 11.111% * 2.0037% (0.10 0.27 0.13) = 2.004% kept QB ALA 61 - HD2 PRO 93 11.111% * 0.7482% (0.48 0.02 0.02) = 0.748% QG LYS+ 66 - HD2 PRO 93 11.111% * 0.4561% (0.30 0.02 0.02) = 0.456% HG LEU 73 - HD2 PRO 93 11.111% * 0.2441% (0.16 0.02 0.02) = 0.244% HG2 LYS+ 102 - HD2 PRO 93 11.111% * 0.1488% (0.10 0.02 0.02) = 0.149% Peak 3021 (1.42, 3.34, 50.24 ppm): 18 chemical-shift based assignments, quality = 0.541, support = 0.671, residual support = 1.69: QB ALA 110 - HD3 PRO 93 5.556% * 31.9825% (0.57 0.75 1.90) = 31.982% kept HB2 LEU 80 - HD3 PRO 93 5.556% * 23.3643% (0.69 0.45 0.13) = 23.364% kept HG12 ILE 19 - HD3 PRO 93 5.556% * 17.7147% (0.65 0.36 0.02) = 17.715% kept HG LEU 80 - HD3 PRO 93 5.556% * 14.5217% (0.52 0.37 0.13) = 14.522% kept HB3 LEU 67 - HD3 PRO 68 5.556% * 6.3170% (0.03 3.18 16.29) = 6.317% kept HB3 LEU 67 - HD3 PRO 93 5.556% * 2.8848% (0.15 0.25 0.02) = 2.885% kept HD3 LYS+ 121 - HD3 PRO 93 5.556% * 0.7834% (0.52 0.02 0.02) = 0.783% HB3 LYS+ 74 - HD3 PRO 93 5.556% * 0.7124% (0.47 0.02 0.02) = 0.712% QB ALA 61 - HD3 PRO 93 5.556% * 0.4408% (0.29 0.02 0.02) = 0.441% QB LEU 98 - HD3 PRO 93 5.556% * 0.2769% (0.18 0.02 0.02) = 0.277% HB2 LEU 80 - HD3 PRO 68 5.556% * 0.1769% (0.12 0.02 0.02) = 0.177% HG12 ILE 19 - HD3 PRO 68 5.556% * 0.1675% (0.11 0.02 0.02) = 0.167% QB ALA 110 - HD3 PRO 68 5.556% * 0.1456% (0.10 0.02 0.02) = 0.146% HG LEU 80 - HD3 PRO 68 5.556% * 0.1337% (0.09 0.02 0.02) = 0.134% HD3 LYS+ 121 - HD3 PRO 68 5.556% * 0.1337% (0.09 0.02 0.02) = 0.134% HB3 LYS+ 74 - HD3 PRO 68 5.556% * 0.1216% (0.08 0.02 0.02) = 0.122% QB ALA 61 - HD3 PRO 68 5.556% * 0.0752% (0.05 0.02 0.02) = 0.075% QB LEU 98 - HD3 PRO 68 5.556% * 0.0473% (0.03 0.02 0.02) = 0.047% Peak 3022 (0.65, 3.95, 72.97 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3023 (0.10, 3.95, 72.97 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 0.694, residual support = 1.68: QD1 ILE 89 - HB THR 94 50.000% * 72.8925% (0.56 0.75 2.19) = 72.893% kept QG2 VAL 83 - HB THR 94 50.000% * 27.1075% (0.29 0.54 0.29) = 27.107% kept Peak 3024 (3.06, 3.95, 72.97 ppm): 3 chemical-shift based assignments, quality = 0.618, support = 2.57, residual support = 14.4: T HB2 PHE 45 - HB THR 94 33.333% * 94.5492% (0.62 10.00 2.66 15.13) = 94.549% kept QE LYS+ 111 - HB THR 94 33.333% * 5.4267% (0.66 1.00 1.06 2.03) = 5.427% kept HB2 CYS 21 - HB THR 94 33.333% * 0.0241% (0.16 1.00 0.02 0.02) = 0.024% 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): 2 chemical-shift based assignments, quality = 0.663, support = 2.18, residual support = 16.6: O HN THR 94 - HB THR 94 50.000% * 99.9511% (0.66 10.0 2.18 16.65) = 99.951% kept HN GLU- 79 - HB THR 94 50.000% * 0.0489% (0.32 1.0 0.02 0.02) = 0.049% Peak 3027 (8.74, 3.95, 72.97 ppm): 2 chemical-shift based assignments, quality = 0.57, support = 2.57, residual support = 12.0: HN PHE 45 - HB THR 94 50.000% * 78.3226% (0.62 2.94 15.13) = 78.323% kept HN ALA 110 - HB THR 94 50.000% * 21.6774% (0.40 1.24 0.85) = 21.677% kept Peak 3028 (5.61, 1.19, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02: HA LYS+ 106 - QG2 THR 94 100.000% *100.0000% (0.14 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3030 (9.88, 1.19, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.14, residual support = 11.0: HN PHE 95 - QG2 THR 94 100.000% *100.0000% (0.92 3.14 10.96) = 100.000% kept Peak 3031 (4.33, 5.96, 55.53 ppm): 3 chemical-shift based assignments, quality = 0.559, support = 0.02, residual support = 0.0831: HA LEU 104 - HA PHE 95 33.333% * 48.4185% (0.67 0.02 0.15) = 48.418% kept HA TRP 87 - HA PHE 95 33.333% * 39.6417% (0.55 0.02 0.02) = 39.642% kept HA GLU- 14 - HA PHE 95 33.333% * 11.9398% (0.16 0.02 0.02) = 11.940% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3032 (7.03, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.44, residual support = 70.2: T QD PHE 95 - HA PHE 95 100.000% *100.0000% (0.73 10.00 3.44 70.16) = 100.000% kept Peak 3033 (9.33, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 3.18, residual support = 6.35: O HN MET 96 - HA PHE 95 100.000% *100.0000% (0.61 10.0 3.18 6.35) = 100.000% kept Peak 3034 (9.89, 5.96, 55.53 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 4.3, residual support = 70.2: O HN PHE 95 - HA PHE 95 100.000% *100.0000% (0.24 10.0 4.30 70.16) = 100.000% kept Peak 3035 (7.03, 3.20, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.0, residual support = 70.2: O T QD PHE 95 - HB2 PHE 95 100.000% *100.0000% (0.73 10.0 10.00 3.00 70.16) = 100.000% kept Peak 3036 (7.03, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 3.0, residual support = 70.2: O T QD PHE 95 - HB3 PHE 95 100.000% *100.0000% (0.73 10.0 10.00 3.00 70.16) = 100.000% kept Peak 3037 (9.89, 2.54, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 3.84, residual support = 70.2: O HN PHE 95 - HB3 PHE 95 100.000% *100.0000% (0.24 10.0 3.84 70.16) = 100.000% kept Peak 3038 (9.89, 3.20, 40.96 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 3.84, residual support = 70.2: O HN PHE 95 - HB2 PHE 95 100.000% *100.0000% (0.24 10.0 3.84 70.16) = 100.000% kept Peak 3039 (1.14, 2.54, 40.96 ppm): 3 chemical-shift based assignments, quality = 0.834, support = 0.98, residual support = 7.28: HG2 LYS+ 121 - HB3 PHE 95 33.333% * 47.6702% (0.96 1.14 1.29) = 47.670% kept QG2 VAL 107 - HB3 PHE 95 33.333% * 26.6589% (0.67 0.91 24.55) = 26.659% kept QB ALA 20 - HB3 PHE 95 33.333% * 25.6709% (0.78 0.75 0.45) = 25.671% kept Peak 3040 (0.60, 2.54, 40.96 ppm): 6 chemical-shift based assignments, quality = 0.73, support = 0.786, residual support = 1.36: QD2 LEU 115 - HB3 PHE 95 16.667% * 34.5727% (0.78 0.99 3.15) = 34.573% kept QD2 LEU 80 - HB3 PHE 95 16.667% * 24.4237% (0.84 0.66 0.36) = 24.424% kept QD1 LEU 104 - HB3 PHE 95 16.667% * 19.8178% (1.00 0.44 0.15) = 19.818% kept QD1 LEU 63 - HB3 PHE 95 16.667% * 13.9613% (0.28 1.13 0.91) = 13.961% kept QD1 LEU 73 - HB3 PHE 95 16.667% * 6.7906% (0.28 0.55 0.45) = 6.791% kept QG1 VAL 83 - HB3 PHE 95 16.667% * 0.4339% (0.49 0.02 0.02) = 0.434% Peak 3041 (0.38, 2.54, 40.96 ppm): 3 chemical-shift based assignments, quality = 0.421, support = 0.763, residual support = 1.78: QB ALA 47 - HB3 PHE 95 33.333% * 50.9929% (0.55 0.75 1.90) = 50.993% kept QB ALA 64 - HB3 PHE 95 33.333% * 29.7199% (0.24 1.01 2.66) = 29.720% kept QG1 VAL 42 - HB3 PHE 95 33.333% * 19.2872% (0.38 0.41 0.12) = 19.287% kept Peak 3042 (1.13, 3.20, 40.96 ppm): 4 chemical-shift based assignments, quality = 0.596, support = 0.79, residual support = 0.79: QB ALA 20 - HB2 PHE 95 25.000% * 53.8890% (0.84 0.51 0.45) = 53.889% kept HG2 LYS+ 121 - HB2 PHE 95 25.000% * 42.3169% (0.28 1.21 1.29) = 42.317% kept HG13 ILE 119 - HB2 PHE 95 25.000% * 1.9681% (0.78 0.02 0.02) = 1.968% kept HB3 LEU 31 - HB2 PHE 95 25.000% * 1.8259% (0.73 0.02 0.02) = 1.826% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3043 (2.40, 3.20, 40.96 ppm): 3 chemical-shift based assignments, quality = 0.614, support = 2.77, residual support = 23.8: T HB VAL 107 - HB2 PHE 95 33.333% * 97.0513% (0.61 10.00 2.85 24.55) = 97.051% kept QG GLN 32 - HB2 PHE 95 33.333% * 2.8799% (0.88 1.00 0.41 0.02) = 2.880% kept QG GLU- 79 - HB2 PHE 95 33.333% * 0.0687% (0.43 1.00 0.02 0.02) = 0.069% Peak 3044 (0.10, 1.19, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.725, support = 0.694, residual support = 1.68: QD1 ILE 89 - QG2 THR 94 50.000% * 72.8925% (0.84 0.75 2.19) = 72.893% kept QG2 VAL 83 - QG2 THR 94 50.000% * 27.1075% (0.43 0.54 0.29) = 27.107% kept Peak 3045 (5.63, 5.31, 54.03 ppm): 1 chemical-shift based assignment, quality = 0.937, support = 0.75, residual support = 1.5: T HA LYS+ 106 - HA MET 96 100.000% *100.0000% (0.94 10.00 0.75 1.50) = 100.000% kept Peak 3046 (8.40, 5.31, 54.03 ppm): 2 chemical-shift based assignments, quality = 0.748, support = 5.1, residual support = 24.6: O HN PHE 97 - HA MET 96 50.000% * 92.3845% (0.75 10.0 5.39 26.51) = 92.385% kept HN LEU 115 - HA MET 96 50.000% * 7.6155% (0.75 1.0 1.65 1.20) = 7.615% kept Peak 3047 (9.31, 5.31, 54.03 ppm): 1 chemical-shift based assignment, quality = 0.359, support = 3.75, residual support = 106.2: O HN MET 96 - HA MET 96 100.000% *100.0000% (0.36 10.0 3.75 106.22) = 100.000% kept Peak 3048 (6.70, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.539, support = 1.39, residual support = 2.21: T HZ PHE 72 - HB2 MET 96 33.333% * 94.3502% (0.55 10.00 1.41 2.21) = 94.350% kept QD PHE 72 - HB2 MET 96 33.333% * 5.6014% (0.43 1.00 1.07 2.21) = 5.601% kept QE PHE 45 - HB2 MET 96 33.333% * 0.0484% (0.20 1.00 0.02 0.17) = 0.048% Peak 3049 (8.39, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.835, support = 4.64, residual support = 22.1: HN PHE 97 - HB2 MET 96 33.333% * 82.4614% (0.84 5.38 26.51) = 82.461% kept HN LEU 115 - HB2 MET 96 33.333% * 17.4659% (0.84 1.14 1.20) = 17.466% kept HN ALA 12 - HB2 MET 96 33.333% * 0.0726% (0.20 0.02 0.02) = 0.073% Peak 3050 (9.31, 2.21, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.6, residual support = 106.2: O HN MET 96 - HB2 MET 96 100.000% *100.0000% (0.38 10.0 3.60 106.22) = 100.000% kept Peak 3051 (6.72, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.75, residual support = 2.21: HZ PHE 72 - HB3 MET 96 100.000% *100.0000% (0.98 0.75 2.21) = 100.000% kept Peak 3052 (9.31, 1.93, 36.87 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.33, residual support = 106.2: O HN MET 96 - HB3 MET 96 100.000% *100.0000% (0.38 10.0 3.33 106.22) = 100.000% kept Peak 3053 (0.74, 2.21, 36.87 ppm): 6 chemical-shift based assignments, quality = 0.775, support = 1.11, residual support = 2.08: QG2 THR 46 - HB2 MET 96 16.667% * 32.3227% (0.96 1.05 0.54) = 32.323% kept QG1 VAL 43 - HB2 MET 96 16.667% * 27.0714% (0.49 1.73 6.51) = 27.071% kept QG2 VAL 18 - HB2 MET 96 16.667% * 21.4417% (0.84 0.80 0.44) = 21.442% kept QD1 ILE 19 - HB2 MET 96 16.667% * 18.6233% (0.84 0.69 0.25) = 18.623% kept QD2 LEU 104 - HB2 MET 96 16.667% * 0.3894% (0.61 0.02 0.02) = 0.389% QG1 VAL 41 - HB2 MET 96 16.667% * 0.1514% (0.24 0.02 0.02) = 0.151% Peak 3054 (0.08, 2.21, 36.87 ppm): 3 chemical-shift based assignments, quality = 0.663, support = 1.22, residual support = 2.44: QG2 VAL 83 - HB2 MET 96 33.333% * 56.5440% (0.84 1.03 1.18) = 56.544% kept QD1 ILE 89 - HB2 MET 96 33.333% * 42.3578% (0.43 1.50 4.18) = 42.358% kept QD2 LEU 31 - HB2 MET 96 33.333% * 1.0982% (0.84 0.02 0.02) = 1.098% kept Peak 3055 (0.10, 1.93, 36.87 ppm): 2 chemical-shift based assignments, quality = 0.422, support = 1.44, residual support = 4.1: T QD1 ILE 89 - HB3 MET 96 50.000% * 97.2862% (0.43 10.00 1.44 4.18) = 97.286% kept QG2 VAL 83 - HB3 MET 96 50.000% * 2.7138% (0.14 1.00 1.28 1.18) = 2.714% kept Peak 3056 (8.39, 2.61, 32.67 ppm): 3 chemical-shift based assignments, quality = 0.835, support = 4.21, residual support = 21.8: HN PHE 97 - HG2 MET 96 33.333% * 81.4157% (0.84 4.92 26.51) = 81.416% kept HN LEU 115 - HG2 MET 96 33.333% * 18.5058% (0.84 1.12 1.20) = 18.506% kept HN ALA 12 - HG2 MET 96 33.333% * 0.0785% (0.20 0.02 0.02) = 0.078% Peak 3057 (8.40, 2.47, 32.67 ppm): 2 chemical-shift based assignments, quality = 0.254, support = 4.21, residual support = 21.8: HN PHE 97 - HG3 MET 96 50.000% * 81.4288% (0.25 4.92 26.51) = 81.429% kept HN LEU 115 - HG3 MET 96 50.000% * 18.5712% (0.25 1.12 1.20) = 18.571% kept Peak 3058 (1.19, 2.61, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.895, support = 1.11, residual support = 6.66: HB3 LYS+ 112 - HG2 MET 96 25.000% * 55.9688% (0.96 1.49 8.27) = 55.969% kept HD2 LYS+ 112 - HG2 MET 96 25.000% * 23.6597% (0.73 0.83 8.27) = 23.660% kept QG2 THR 94 - HG2 MET 96 25.000% * 17.3435% (0.98 0.45 0.34) = 17.343% kept HB3 LEU 71 - HG2 MET 96 25.000% * 3.0281% (0.61 0.13 0.62) = 3.028% kept Peak 3059 (0.98, 2.61, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.913, support = 0.807, residual support = 0.351: QD2 LEU 40 - HG2 MET 96 16.667% * 34.5500% (0.88 1.13 0.55) = 34.550% kept QD1 LEU 67 - HG2 MET 96 16.667% * 25.6177% (0.92 0.80 0.35) = 25.618% kept QG2 ILE 103 - HG2 MET 96 16.667% * 20.0147% (1.00 0.58 0.31) = 20.015% kept HG3 LYS+ 74 - HG2 MET 96 16.667% * 17.0650% (0.98 0.50 0.02) = 17.065% kept QD1 ILE 103 - HG2 MET 96 16.667% * 2.5278% (0.20 0.37 0.31) = 2.528% kept QD2 LEU 71 - HG2 MET 96 16.667% * 0.2249% (0.32 0.02 0.62) = 0.225% Peak 3060 (1.37, 2.47, 32.67 ppm): 10 chemical-shift based assignments, quality = 0.305, support = 1.85, residual support = 6.98: HB2 LYS+ 112 - HG3 MET 96 10.000% * 83.6390% (0.32 2.19 8.27) = 83.639% kept HG3 LYS+ 102 - HG3 MET 96 10.000% * 4.6750% (0.30 0.13 0.02) = 4.675% kept HG3 LYS+ 106 - HG3 MET 96 10.000% * 4.0044% (0.32 0.10 1.50) = 4.004% kept HB3 LEU 73 - HG3 MET 96 10.000% * 3.8682% (0.29 0.11 0.02) = 3.868% kept HB3 PRO 93 - HG3 MET 96 10.000% * 1.1022% (0.09 0.10 0.02) = 1.102% kept QB ALA 84 - HG3 MET 96 10.000% * 0.8430% (0.08 0.09 0.02) = 0.843% HB VAL 42 - HG3 MET 96 10.000% * 0.6101% (0.25 0.02 0.02) = 0.610% HG3 LYS+ 65 - HG3 MET 96 10.000% * 0.6101% (0.25 0.02 0.02) = 0.610% HG3 LYS+ 33 - HG3 MET 96 10.000% * 0.5199% (0.22 0.02 0.02) = 0.520% QB ALA 12 - HG3 MET 96 10.000% * 0.1282% (0.05 0.02 0.02) = 0.128% Peak 3061 (1.19, 2.47, 32.67 ppm): 4 chemical-shift based assignments, quality = 0.254, support = 3.45, residual support = 7.88: T HD2 LYS+ 112 - HG3 MET 96 25.000% * 74.2672% (0.24 10.00 3.40 8.27) = 74.267% kept HB3 LYS+ 112 - HG3 MET 96 25.000% * 20.8454% (0.31 1.00 4.26 8.27) = 20.845% kept QG2 THR 94 - HG3 MET 96 25.000% * 4.4945% (0.32 1.00 0.90 0.34) = 4.495% kept HB3 LEU 71 - HG3 MET 96 25.000% * 0.3929% (0.20 1.00 0.13 0.62) = 0.393% Peak 3062 (0.98, 2.47, 32.67 ppm): 6 chemical-shift based assignments, quality = 0.295, support = 0.73, residual support = 0.354: QD2 LEU 40 - HG3 MET 96 16.667% * 34.4655% (0.29 1.02 0.55) = 34.466% kept QD1 LEU 67 - HG3 MET 96 16.667% * 25.8976% (0.30 0.73 0.35) = 25.898% kept QG2 ILE 103 - HG3 MET 96 16.667% * 20.2765% (0.32 0.53 0.31) = 20.277% kept HG3 LYS+ 74 - HG3 MET 96 16.667% * 16.0610% (0.32 0.43 0.02) = 16.061% kept QD1 ILE 103 - HG3 MET 96 16.667% * 3.0507% (0.06 0.40 0.31) = 3.051% kept QD2 LEU 71 - HG3 MET 96 16.667% * 0.2486% (0.11 0.02 0.62) = 0.249% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3063 (9.70, 5.36, 56.63 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.95, residual support = 8.56: O HN LEU 98 - HA PHE 97 100.000% *100.0000% (0.61 10.0 2.95 8.56) = 100.000% kept Peak 3064 (8.40, 5.36, 56.63 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 4.14, residual support = 51.0: O HN PHE 97 - HA PHE 97 50.000% * 97.8746% (0.78 10.0 4.22 52.15) = 97.875% kept HN LEU 115 - HA PHE 97 50.000% * 2.1254% (0.78 1.0 0.43 0.02) = 2.125% kept Peak 3065 (7.15, 2.99, 40.60 ppm): 1 chemical-shift based assignment, quality = 0.164, support = 2.44, residual support = 52.2: O T QD PHE 97 - HB2 PHE 97 100.000% *100.0000% (0.16 10.0 10.00 2.44 52.15) = 100.000% kept Peak 3066 (7.80, 2.99, 40.60 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 7.4, residual support = 45.7: HN ASP- 105 - HB2 PHE 97 100.000% *100.0000% (0.88 7.40 45.70) = 100.000% kept Peak 3067 (8.40, 2.99, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 4.23, residual support = 50.6: O HN PHE 97 - HB2 PHE 97 50.000% * 97.0145% (0.78 10.0 4.34 52.15) = 97.014% kept HN LEU 115 - HB2 PHE 97 50.000% * 2.9855% (0.78 1.0 0.62 0.02) = 2.986% kept Peak 3068 (1.86, 2.99, 40.60 ppm): 8 chemical-shift based assignments, quality = 0.843, support = 2.79, residual support = 31.2: T HB3 ASP- 105 - HB2 PHE 97 12.500% * 61.9045% (0.98 10.00 3.40 45.70) = 61.905% kept T QB LYS+ 106 - HB2 PHE 97 12.500% * 36.1117% (0.61 10.00 1.89 8.02) = 36.112% kept HB ILE 103 - HB2 PHE 97 12.500% * 1.7108% (1.00 1.00 0.54 0.02) = 1.711% kept HG3 PRO 68 - HB2 PHE 97 12.500% * 0.0628% (1.00 1.00 0.02 0.02) = 0.063% HG2 ARG+ 54 - HB2 PHE 97 12.500% * 0.0628% (1.00 1.00 0.02 0.02) = 0.063% QB LYS+ 33 - HB2 PHE 97 12.500% * 0.0557% (0.88 1.00 0.02 0.02) = 0.056% HB3 GLN 90 - HB2 PHE 97 12.500% * 0.0494% (0.78 1.00 0.02 0.02) = 0.049% QB LYS+ 81 - HB2 PHE 97 12.500% * 0.0421% (0.67 1.00 0.02 0.02) = 0.042% Peak 3069 (1.01, 2.99, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.794, support = 1.83, residual support = 4.95: HB VAL 75 - HB2 PHE 97 50.000% * 84.1169% (0.88 1.98 5.50) = 84.117% kept QD1 ILE 119 - HB2 PHE 97 50.000% * 15.8831% (0.32 1.02 1.99) = 15.883% kept Peak 3070 (1.01, 2.36, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.694, support = 1.95, residual support = 4.9: HB VAL 75 - HB3 PHE 97 50.000% * 82.7784% (0.78 2.11 5.50) = 82.778% kept QD1 ILE 119 - HB3 PHE 97 50.000% * 17.2216% (0.29 1.19 1.99) = 17.222% kept Peak 3071 (7.13, 2.36, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.73, support = 2.67, residual support = 51.7: O T QD PHE 97 - HB3 PHE 97 50.000% * 99.0376% (0.74 10.0 10.00 2.70 52.15) = 99.038% kept HZ3 TRP 87 - HB3 PHE 97 50.000% * 0.9624% (0.64 1.0 1.00 0.22 0.02) = 0.962% Peak 3072 (7.82, 2.36, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.182, support = 4.48, residual support = 45.0: HN ASP- 105 - HB3 PHE 97 50.000% * 98.4139% (0.17 4.55 45.70) = 98.414% kept HN ALA 88 - HB3 PHE 97 50.000% * 1.5861% (0.64 0.02 0.02) = 1.586% kept Peak 3073 (8.40, 2.36, 40.60 ppm): 2 chemical-shift based assignments, quality = 0.691, support = 4.51, residual support = 50.3: O HN PHE 97 - HB3 PHE 97 50.000% * 96.5329% (0.69 10.0 4.65 52.15) = 96.533% kept HN LEU 115 - HB3 PHE 97 50.000% * 3.4671% (0.69 1.0 0.72 0.02) = 3.467% kept Peak 3074 (1.87, 2.36, 40.60 ppm): 11 chemical-shift based assignments, quality = 0.626, support = 1.47, residual support = 23.4: QB LYS+ 106 - HB3 PHE 97 9.091% * 47.3230% (0.84 1.26 8.02) = 47.323% kept HB3 ASP- 105 - HB3 PHE 97 9.091% * 42.8094% (0.48 2.00 45.70) = 42.809% kept HB ILE 103 - HB3 PHE 97 9.091% * 4.0948% (0.38 0.24 0.02) = 4.095% kept HB3 GLN 30 - HB3 PHE 97 9.091% * 2.1984% (0.21 0.24 0.02) = 2.198% kept QB LYS+ 81 - HB3 PHE 97 9.091% * 0.7237% (0.81 0.02 0.02) = 0.724% HB3 GLN 90 - HB3 PHE 97 9.091% * 0.6548% (0.74 0.02 0.02) = 0.655% HB ILE 56 - HB3 PHE 97 9.091% * 0.5693% (0.64 0.02 0.02) = 0.569% QB LYS+ 33 - HB3 PHE 97 9.091% * 0.5693% (0.64 0.02 0.02) = 0.569% HB3 LYS+ 38 - HB3 PHE 97 9.091% * 0.3816% (0.43 0.02 0.02) = 0.382% HG2 ARG+ 54 - HB3 PHE 97 9.091% * 0.3816% (0.43 0.02 0.02) = 0.382% HG3 PRO 68 - HB3 PHE 97 9.091% * 0.2942% (0.33 0.02 0.02) = 0.294% Peak 3075 (1.80, 5.51, 53.84 ppm): 6 chemical-shift based assignments, quality = 0.927, support = 0.247, residual support = 0.136: QB LYS+ 102 - HA LEU 98 16.667% * 81.4097% (0.96 0.30 0.16) = 81.410% kept QB LYS+ 65 - HA LEU 98 16.667% * 5.6944% (1.00 0.02 0.02) = 5.694% kept HB2 LEU 71 - HA LEU 98 16.667% * 5.6660% (1.00 0.02 0.02) = 5.666% kept HG2 PRO 93 - HA LEU 98 16.667% * 3.7980% (0.67 0.02 0.02) = 3.798% kept HB3 GLN 17 - HA LEU 98 16.667% * 1.8487% (0.32 0.02 0.02) = 1.849% kept QB LYS+ 66 - HA LEU 98 16.667% * 1.5832% (0.28 0.02 0.02) = 1.583% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3076 (4.29, 5.51, 53.84 ppm): 8 chemical-shift based assignments, quality = 0.543, support = 0.61, residual support = 1.77: HA ILE 103 - HA LEU 98 12.500% * 36.8306% (0.49 0.93 4.29) = 36.831% kept HA ASP- 86 - HA LEU 98 12.500% * 25.6720% (0.49 0.64 0.64) = 25.672% kept HA ALA 12 - HA LEU 98 12.500% * 19.4421% (0.55 0.44 0.12) = 19.442% kept HA MET 11 - HA LEU 98 12.500% * 8.6254% (0.84 0.13 0.02) = 8.625% kept HA SER 85 - HA LEU 98 12.500% * 6.4444% (0.67 0.12 0.02) = 6.444% kept HA ASP- 44 - HA LEU 98 12.500% * 1.2804% (0.78 0.02 0.02) = 1.280% kept HB THR 77 - HA LEU 98 12.500% * 1.0911% (0.67 0.02 0.02) = 1.091% kept HA GLU- 14 - HA LEU 98 12.500% * 0.6139% (0.38 0.02 0.02) = 0.614% Peak 3077 (7.80, 5.51, 53.84 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 3.47, residual support = 7.33: HN ASP- 105 - HA LEU 98 100.000% *100.0000% (0.88 3.47 7.33) = 100.000% kept Peak 3078 (8.34, 5.51, 53.84 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 3.76, residual support = 10.3: O HN LYS+ 99 - HA LEU 98 33.333% * 99.8741% (0.61 10.0 3.76 10.29) = 99.874% kept HE1 HIS 122 - HA LEU 98 33.333% * 0.0802% (0.49 1.0 0.02 0.02) = 0.080% HN GLU- 14 - HA LEU 98 33.333% * 0.0458% (0.28 1.0 0.02 0.02) = 0.046% Peak 3079 (9.38, 5.51, 53.84 ppm): 2 chemical-shift based assignments, quality = 0.826, support = 2.6, residual support = 7.32: HN LEU 104 - HA LEU 98 50.000% * 98.1640% (0.84 2.65 7.45) = 98.164% kept HN PHE 72 - HA LEU 98 50.000% * 1.8360% (0.32 0.13 0.02) = 1.836% kept Peak 3080 (9.69, 5.51, 53.84 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 4.05, residual support = 59.4: O HN LEU 98 - HA LEU 98 100.000% *100.0000% (0.96 10.0 4.05 59.44) = 100.000% kept Peak 3081 (1.84, 1.41, 47.50 ppm): 9 chemical-shift based assignments, quality = 0.349, support = 0.877, residual support = 4.16: HG12 ILE 103 - QB LEU 98 11.111% * 27.6027% (0.27 1.00 1.22 4.29) = 27.603% kept HB VAL 41 - QB LEU 98 11.111% * 19.9202% (0.14 1.00 1.67 11.13) = 19.920% kept HG LEU 123 - QB LEU 98 11.111% * 19.1503% (0.57 1.00 0.41 0.02) = 19.150% kept HB3 PRO 52 - QB LEU 98 11.111% * 19.1503% (0.57 1.00 0.41 0.02) = 19.150% kept HB3 ASP- 105 - QB LEU 98 11.111% * 10.2276% (0.24 1.00 0.52 7.33) = 10.228% kept T QB LYS+ 33 - QB LEU 98 11.111% * 2.3895% (0.14 10.00 0.02 0.02) = 2.389% kept HG3 PRO 68 - QB LEU 98 11.111% * 0.5877% (0.35 1.00 0.02 0.02) = 0.588% HB ILE 103 - QB LEU 98 11.111% * 0.5187% (0.31 1.00 0.02 4.29) = 0.519% HG2 ARG+ 54 - QB LEU 98 11.111% * 0.4532% (0.27 1.00 0.02 0.02) = 0.453% Peak 3082 (8.35, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.484, support = 0.474, residual support = 0.474: HN ASN 35 - QB LEU 98 100.000% *100.0000% (0.48 0.47 0.47) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3083 (9.02, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.694, support = 1.06, residual support = 11.1: HN VAL 41 - QB LEU 98 100.000% *100.0000% (0.69 1.06 11.13) = 100.000% kept Peak 3084 (9.69, 1.41, 47.50 ppm): 1 chemical-shift based assignment, quality = 0.694, support = 3.71, residual support = 59.4: O HN LEU 98 - QB LEU 98 100.000% *100.0000% (0.69 10.0 3.71 59.44) = 100.000% kept Peak 3085 (5.52, 1.35, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 4.04, residual support = 59.4: O HA LEU 98 - HG LEU 98 100.000% *100.0000% (0.43 10.0 4.04 59.44) = 100.000% kept Peak 3086 (9.69, 1.35, 27.95 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 2.57, residual support = 59.4: HN LEU 98 - HG LEU 98 100.000% *100.0000% (0.96 2.57 59.44) = 100.000% kept Peak 3087 (4.31, 0.71, 25.69 ppm): 5 chemical-shift based assignments, quality = 0.823, support = 1.34, residual support = 2.91: HA ASP- 86 - QD1 LEU 98 20.000% * 44.7528% (1.00 1.30 0.64) = 44.753% kept HA LEU 104 - QD1 LEU 98 20.000% * 34.9042% (0.55 1.85 7.45) = 34.904% kept HA ALA 12 - QD1 LEU 98 20.000% * 19.1036% (0.98 0.56 0.12) = 19.104% kept HA GLU- 14 - QD1 LEU 98 20.000% * 0.6869% (1.00 0.02 0.02) = 0.687% HA MET 11 - QD1 LEU 98 20.000% * 0.5526% (0.16 0.10 0.02) = 0.553% Peak 3088 (7.20, 0.71, 25.69 ppm): 3 chemical-shift based assignments, quality = 0.532, support = 0.58, residual support = 0.605: QD PHE 59 - QD1 LEU 98 33.333% * 68.5855% (0.67 0.53 0.37) = 68.585% kept HE21 GLN 30 - QD1 LEU 98 33.333% * 28.8240% (0.20 0.75 1.22) = 28.824% kept HD1 TRP 27 - QD1 LEU 98 33.333% * 2.5905% (0.67 0.02 0.02) = 2.591% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3089 (0.61, 1.77, 37.34 ppm): 4 chemical-shift based assignments, quality = 0.618, support = 1.27, residual support = 3.51: QD1 LEU 104 - HB2 LYS+ 99 25.000% * 48.7489% (0.43 1.95 6.65) = 48.749% kept QG1 VAL 83 - HB2 LYS+ 99 25.000% * 37.7058% (1.00 0.65 0.64) = 37.706% kept QG2 ILE 89 - HB2 LYS+ 99 25.000% * 10.0380% (0.28 0.62 0.12) = 10.038% kept QD2 LEU 80 - HB2 LYS+ 99 25.000% * 3.5073% (0.16 0.37 0.40) = 3.507% kept Peak 3090 (0.98, 1.77, 37.34 ppm): 6 chemical-shift based assignments, quality = 0.893, support = 1.49, residual support = 2.73: QD2 LEU 40 - HB2 LYS+ 99 16.667% * 51.8483% (0.88 2.13 5.03) = 51.848% kept QG2 ILE 103 - HB2 LYS+ 99 16.667% * 28.8175% (1.00 1.05 0.36) = 28.818% kept QD1 LEU 67 - HB2 LYS+ 99 16.667% * 7.8913% (0.92 0.31 0.02) = 7.891% kept HG3 LYS+ 74 - HB2 LYS+ 99 16.667% * 6.8392% (0.98 0.25 0.02) = 6.839% kept QD1 ILE 103 - HB2 LYS+ 99 16.667% * 4.4250% (0.20 0.81 0.36) = 4.425% kept QD2 LEU 71 - HB2 LYS+ 99 16.667% * 0.1787% (0.32 0.02 0.02) = 0.179% Peak 3091 (8.35, 1.77, 37.34 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 0.987, residual support = 2.09: HN ASN 35 - HB2 LYS+ 99 100.000% *100.0000% (0.67 0.99 2.09) = 100.000% kept Peak 3092 (8.34, 4.38, 58.15 ppm): 3 chemical-shift based assignments, quality = 0.606, support = 4.78, residual support = 144.0: O HN LYS+ 99 - HA LYS+ 99 33.333% * 99.8741% (0.61 10.0 4.79 144.19) = 99.874% kept HE1 HIS 122 - HA LYS+ 99 33.333% * 0.0802% (0.49 1.0 0.02 0.02) = 0.080% HN GLU- 14 - HA LYS+ 99 33.333% * 0.0458% (0.28 1.0 0.02 0.02) = 0.046% Peak 3093 (10.12, 4.38, 58.15 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 6.59, residual support = 24.9: O HN GLU- 100 - HA LYS+ 99 100.000% *100.0000% (0.67 10.0 6.59 24.88) = 100.000% kept Peak 3095 (3.01, 1.33, 26.01 ppm): 6 chemical-shift based assignments, quality = 0.827, support = 5.02, residual support = 150.2: O QE LYS+ 99 - HG2 LYS+ 99 16.667% * 78.6815% (0.98 10.0 5.39 144.19) = 78.681% kept O QE LYS+ 38 - HG2 LYS+ 38 16.667% * 18.8292% (0.23 10.0 4.11 195.26) = 18.829% kept QE LYS+ 38 - HG2 LYS+ 99 16.667% * 1.3554% (0.88 1.0 0.38 0.60) = 1.355% kept QE LYS+ 102 - HG2 LYS+ 99 16.667% * 0.9205% (0.55 1.0 0.42 0.02) = 0.921% QE LYS+ 99 - HG2 LYS+ 38 16.667% * 0.2018% (0.26 1.0 0.19 0.60) = 0.202% QE LYS+ 102 - HG2 LYS+ 38 16.667% * 0.0117% (0.15 1.0 0.02 0.66) = 0.012% Peak 3096 (4.38, 1.33, 26.01 ppm): 12 chemical-shift based assignments, quality = 0.597, support = 5.98, residual support = 124.1: O T HA LYS+ 99 - HG2 LYS+ 99 8.333% * 86.0051% (0.67 10.0 10.00 6.77 144.19) = 86.005% kept T HA LYS+ 99 - HG2 LYS+ 38 8.333% * 13.4601% (0.18 1.0 10.00 1.18 0.60) = 13.460% kept HA LEU 123 - HG2 LYS+ 99 8.333% * 0.1283% (1.00 1.0 1.00 0.02 0.02) = 0.128% HA ILE 56 - HG2 LYS+ 99 8.333% * 0.1190% (0.92 1.0 1.00 0.02 0.02) = 0.119% HA ASN 35 - HG2 LYS+ 99 8.333% * 0.1138% (0.88 1.0 1.00 0.02 2.09) = 0.114% HA LEU 40 - HG2 LYS+ 99 8.333% * 0.0359% (0.28 1.0 1.00 0.02 5.03) = 0.036% HA LEU 123 - HG2 LYS+ 38 8.333% * 0.0341% (0.26 1.0 1.00 0.02 0.02) = 0.034% HA ILE 56 - HG2 LYS+ 38 8.333% * 0.0316% (0.25 1.0 1.00 0.02 0.02) = 0.032% HA ASN 35 - HG2 LYS+ 38 8.333% * 0.0302% (0.23 1.0 1.00 0.02 0.02) = 0.030% HA ASP- 113 - HG2 LYS+ 99 8.333% * 0.0255% (0.20 1.0 1.00 0.02 0.02) = 0.026% HA LEU 40 - HG2 LYS+ 38 8.333% * 0.0095% (0.07 1.0 1.00 0.02 0.27) = 0.010% HA ASP- 113 - HG2 LYS+ 38 8.333% * 0.0068% (0.05 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 = 0.715, support = 0.424, residual support = 0.306: HA THR 46 - HA GLU- 100 14.286% * 64.5501% (0.67 1.00 0.65 0.46) = 64.550% kept T HA PRO 58 - HA GLU- 100 14.286% * 25.0587% (0.84 10.00 0.02 0.02) = 25.059% kept HA SER 13 - HA GLU- 100 14.286% * 2.6475% (0.88 1.00 0.02 0.02) = 2.648% kept HA GLU- 15 - HA GLU- 100 14.286% * 2.6475% (0.88 1.00 0.02 0.02) = 2.648% kept HA LEU 40 - HA GLU- 100 14.286% * 1.8196% (0.61 1.00 0.02 0.26) = 1.820% kept HA GLN 17 - HA GLU- 100 14.286% * 1.6383% (0.55 1.00 0.02 0.02) = 1.638% kept HA SER 37 - HA GLU- 100 14.286% * 1.6383% (0.55 1.00 0.02 0.02) = 1.638% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3098 (8.85, 3.81, 57.72 ppm): 1 chemical-shift based assignment, quality = 1.0, support = 3.2, residual support = 12.5: O HN GLY 101 - HA GLU- 100 100.000% *100.0000% (1.00 10.0 3.20 12.51) = 100.000% kept Peak 3099 (10.12, 3.81, 57.72 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 6.19, residual support = 71.6: O HN GLU- 100 - HA GLU- 100 100.000% *100.0000% (0.67 10.0 6.19 71.64) = 100.000% kept Peak 3100 (4.00, 2.37, 29.04 ppm): 7 chemical-shift based assignments, quality = 0.81, support = 0.0811, residual support = 0.02: HA VAL 18 - HB2 GLU- 100 14.286% * 42.2280% (0.92 1.00 0.16 0.02) = 42.228% kept T HA GLN 116 - HB2 GLU- 100 14.286% * 37.0468% (0.67 10.00 0.02 0.02) = 37.047% kept HA LYS+ 33 - HB2 GLU- 100 14.286% * 5.5267% (1.00 1.00 0.02 0.02) = 5.527% kept HA GLU- 29 - HB2 GLU- 100 14.286% * 5.3100% (0.96 1.00 0.02 0.02) = 5.310% kept HB2 SER 82 - HB2 GLU- 100 14.286% * 4.6395% (0.84 1.00 0.02 0.02) = 4.639% kept HA VAL 70 - HB2 GLU- 100 14.286% * 3.7047% (0.67 1.00 0.02 0.02) = 3.705% kept HA SER 48 - HB2 GLU- 100 14.286% * 1.5443% (0.28 1.00 0.02 0.02) = 1.544% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3103 (1.31, 2.23, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 1.97, residual support = 8.05: QG2 THR 77 - HG2 GLU- 100 25.000% * 37.6943% (0.96 0.95 0.44) = 37.694% kept HG2 LYS+ 99 - HG2 GLU- 100 25.000% * 30.8249% (0.16 4.50 24.88) = 30.825% kept QB ALA 88 - HG2 GLU- 100 25.000% * 24.4092% (0.78 0.75 0.73) = 24.409% kept HG2 LYS+ 38 - HG2 GLU- 100 25.000% * 7.0716% (0.28 0.61 0.50) = 7.072% kept Peak 3104 (1.31, 2.12, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.566, support = 1.69, residual support = 8.92: QB ALA 88 - HG3 GLU- 100 25.000% * 37.2970% (0.78 0.84 0.73) = 37.297% kept HG2 LYS+ 99 - HG3 GLU- 100 25.000% * 34.2539% (0.16 3.67 24.88) = 34.254% kept QG2 THR 77 - HG3 GLU- 100 25.000% * 20.3863% (0.96 0.38 0.44) = 20.386% kept HG2 LYS+ 38 - HG3 GLU- 100 25.000% * 8.0627% (0.28 0.51 0.50) = 8.063% kept Peak 3105 (3.81, 2.12, 38.95 ppm): 4 chemical-shift based assignments, quality = 0.993, support = 4.25, residual support = 71.5: O HA GLU- 100 - HG3 GLU- 100 25.000% * 99.7849% (1.00 10.0 4.26 71.64) = 99.785% kept HA VAL 83 - HG3 GLU- 100 25.000% * 0.1003% (1.00 1.0 0.02 0.02) = 0.100% HD2 PRO 58 - HG3 GLU- 100 25.000% * 0.0983% (0.98 1.0 0.02 0.02) = 0.098% HB2 CYS 53 - HG3 GLU- 100 25.000% * 0.0165% (0.16 1.0 0.02 0.02) = 0.016% Peak 3106 (10.11, 2.12, 38.95 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.56, residual support = 71.6: HN GLU- 100 - HG3 GLU- 100 100.000% *100.0000% (0.92 3.56 71.64) = 100.000% kept Peak 3107 (10.12, 2.23, 38.95 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 5.83, residual support = 71.6: HN GLU- 100 - HG2 GLU- 100 100.000% *100.0000% (0.67 5.83 71.64) = 100.000% kept Peak 3108 (7.76, 1.81, 34.65 ppm): 8 chemical-shift based assignments, quality = 0.989, support = 4.41, residual support = 128.0: O HN LYS+ 102 - QB LYS+ 102 12.500% * 99.3896% (1.00 10.0 4.43 128.82) = 99.390% kept HN GLU- 36 - QB LYS+ 102 12.500% * 0.4927% (0.92 1.0 0.11 2.74) = 0.493% HD1 TRP 87 - QB LYS+ 102 12.500% * 0.0375% (0.38 1.0 0.02 0.02) = 0.037% HN THR 39 - QB LYS+ 102 12.500% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% HN LYS+ 102 - HB VAL 41 12.500% * 0.0182% (0.18 1.0 0.02 0.02) = 0.018% HN GLU- 36 - HB VAL 41 12.500% * 0.0168% (0.17 1.0 0.02 0.02) = 0.017% HD1 TRP 87 - HB VAL 41 12.500% * 0.0068% (0.07 1.0 0.02 0.02) = 0.007% HN THR 39 - HB VAL 41 12.500% * 0.0059% (0.06 1.0 0.02 0.02) = 0.006% Peak 3109 (8.62, 1.81, 34.65 ppm): 6 chemical-shift based assignments, quality = 0.988, support = 4.79, residual support = 16.3: HN ILE 103 - QB LYS+ 102 16.667% * 94.2750% (1.00 5.06 17.31) = 94.275% kept HN GLN 90 - QB LYS+ 102 16.667% * 5.1150% (0.88 0.31 0.02) = 5.115% kept HN GLY 109 - QB LYS+ 102 16.667% * 0.4659% (0.24 0.11 0.02) = 0.466% HN ILE 103 - HB VAL 41 16.667% * 0.0680% (0.18 0.02 0.02) = 0.068% HN GLN 90 - HB VAL 41 16.667% * 0.0600% (0.16 0.02 0.02) = 0.060% HN GLY 109 - HB VAL 41 16.667% * 0.0160% (0.04 0.02 0.02) = 0.016% Peak 3110 (7.78, 1.45, 25.01 ppm): 2 chemical-shift based assignments, quality = 0.484, support = 4.19, residual support = 127.3: HN LYS+ 102 - HG2 LYS+ 102 50.000% * 98.7952% (0.49 4.24 128.82) = 98.795% kept HN GLU- 36 - HG2 LYS+ 102 50.000% * 1.2048% (0.24 0.11 2.74) = 1.205% kept Peak 3111 (3.95, 4.28, 62.30 ppm): 16 chemical-shift based assignments, quality = 0.626, support = 0.0355, residual support = 0.0195: T QB SER 85 - HA ILE 103 6.250% * 24.3933% (0.78 10.00 0.02 0.02) = 24.393% kept T QB SER 48 - HA ILE 103 6.250% * 22.6307% (0.73 10.00 0.02 0.02) = 22.631% kept HA ALA 120 - HA ILE 103 6.250% * 13.8378% (0.98 1.00 0.09 0.02) = 13.838% kept T HA2 GLY 51 - HA ILE 103 6.250% * 10.1179% (0.32 10.00 0.02 0.02) = 10.118% kept HB THR 94 - HA ILE 103 6.250% * 8.1584% (0.55 1.00 0.10 0.02) = 8.158% kept T QB SER 85 - HA THR 39 6.250% * 5.4021% (0.17 10.00 0.02 0.02) = 5.402% kept T QB SER 48 - HA THR 39 6.250% * 5.0118% (0.16 10.00 0.02 0.02) = 5.012% kept HA2 GLY 16 - HA ILE 103 6.250% * 2.4393% (0.78 1.00 0.02 0.02) = 2.439% kept T HA2 GLY 51 - HA THR 39 6.250% * 2.2407% (0.07 10.00 0.02 0.02) = 2.241% kept HA LYS+ 65 - HA ILE 103 6.250% * 2.0787% (0.67 1.00 0.02 0.02) = 2.079% kept HA LYS+ 121 - HA ILE 103 6.250% * 1.3387% (0.43 1.00 0.02 0.02) = 1.339% kept HA ALA 120 - HA THR 39 6.250% * 0.6765% (0.22 1.00 0.02 0.02) = 0.677% HA2 GLY 16 - HA THR 39 6.250% * 0.5402% (0.17 1.00 0.02 0.44) = 0.540% HA LYS+ 65 - HA THR 39 6.250% * 0.4603% (0.15 1.00 0.02 0.02) = 0.460% HB THR 94 - HA THR 39 6.250% * 0.3769% (0.12 1.00 0.02 0.02) = 0.377% HA LYS+ 121 - HA THR 39 6.250% * 0.2965% (0.10 1.00 0.02 0.02) = 0.296% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3113 (9.38, 4.28, 62.30 ppm): 4 chemical-shift based assignments, quality = 0.825, support = 5.96, residual support = 31.2: O HN LEU 104 - HA ILE 103 25.000% * 97.9134% (0.84 10.0 6.07 31.83) = 97.913% kept HN PHE 72 - HA ILE 103 25.000% * 2.0565% (0.32 1.0 1.08 0.30) = 2.056% kept HN LEU 104 - HA THR 39 25.000% * 0.0217% (0.18 1.0 0.02 0.02) = 0.022% HN PHE 72 - HA THR 39 25.000% * 0.0084% (0.07 1.0 0.02 0.02) = 0.008% Peak 3114 (7.75, 4.28, 62.30 ppm): 10 chemical-shift based assignments, quality = 0.248, support = 3.25, residual support = 23.0: O HN THR 39 - HA THR 39 10.000% * 74.9072% (0.22 10.0 3.34 25.58) = 74.907% kept HN LYS+ 102 - HA ILE 103 10.000% * 21.8897% (0.38 1.0 3.38 17.31) = 21.890% kept HD1 TRP 87 - HA THR 39 10.000% * 1.6376% (0.22 1.0 0.43 0.02) = 1.638% kept HN GLU- 36 - HA THR 39 10.000% * 0.5417% (0.15 1.0 0.21 1.06) = 0.542% HD1 TRP 87 - HA ILE 103 10.000% * 0.3434% (1.00 1.0 0.02 2.06) = 0.343% HN THR 39 - HA ILE 103 10.000% * 0.3382% (0.98 1.0 0.02 0.02) = 0.338% HN GLU- 36 - HA ILE 103 10.000% * 0.2302% (0.67 1.0 0.02 0.02) = 0.230% HN TRP 27 - HA ILE 103 10.000% * 0.0683% (0.20 1.0 0.02 0.02) = 0.068% HN LYS+ 102 - HA THR 39 10.000% * 0.0287% (0.08 1.0 0.02 0.02) = 0.029% HN TRP 27 - HA THR 39 10.000% * 0.0151% (0.04 1.0 0.02 0.02) = 0.015% Peak 3115 (0.69, 4.28, 62.30 ppm): 2 chemical-shift based assignments, quality = 0.99, support = 0.866, residual support = 2.27: QG2 ILE 19 - HA ILE 103 50.000% * 99.4934% (1.00 0.87 2.28) = 99.493% kept QG2 ILE 19 - HA THR 39 50.000% * 0.5066% (0.22 0.02 0.02) = 0.507% Peak 3116 (7.78, 0.98, 18.17 ppm): 2 chemical-shift based assignments, quality = 0.485, support = 2.68, residual support = 17.2: HN LYS+ 102 - QG2 ILE 103 50.000% * 99.6417% (0.49 2.69 17.31) = 99.642% kept HN GLU- 36 - QG2 ILE 103 50.000% * 0.3583% (0.24 0.02 0.02) = 0.358% Peak 3117 (9.39, 0.98, 18.17 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 5.05, residual support = 31.8: HN LEU 104 - QG2 ILE 103 100.000% *100.0000% (0.78 5.05 31.83) = 100.000% kept Peak 3118 (8.62, 1.86, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.986, support = 5.63, residual support = 116.4: O HN ILE 103 - HB ILE 103 33.333% * 94.4603% (1.00 10.0 5.91 123.24) = 94.460% kept HN GLN 90 - HB ILE 103 33.333% * 4.6907% (0.88 1.0 1.13 0.54) = 4.691% kept HN GLY 109 - HB ILE 103 33.333% * 0.8489% (0.24 1.0 0.76 0.02) = 0.849% Peak 3119 (4.31, 1.82, 28.60 ppm): 5 chemical-shift based assignments, quality = 0.341, support = 4.14, residual support = 29.5: HA LEU 104 - HG12 ILE 103 20.000% * 92.7754% (0.33 4.45 31.83) = 92.775% kept HA ASP- 86 - HG12 ILE 103 20.000% * 5.5909% (0.60 0.15 0.02) = 5.591% kept HA GLU- 14 - HG12 ILE 103 20.000% * 0.7597% (0.60 0.02 0.02) = 0.760% HA ALA 12 - HG12 ILE 103 20.000% * 0.7484% (0.59 0.02 0.02) = 0.748% HA MET 11 - HG12 ILE 103 20.000% * 0.1256% (0.10 0.02 0.02) = 0.126% Peak 3120 (8.62, 1.82, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.592, support = 6.14, residual support = 109.9: HN ILE 103 - HG12 ILE 103 33.333% * 89.1498% (0.61 6.80 123.24) = 89.150% kept HN GLN 90 - HG12 ILE 103 33.333% * 9.0153% (0.54 0.78 0.54) = 9.015% kept HN GLY 109 - HG12 ILE 103 33.333% * 1.8349% (0.14 0.59 0.02) = 1.835% kept Peak 3121 (1.18, 1.82, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.295, support = 4.55, residual support = 122.9: O T HG13 ILE 103 - HG12 ILE 103 33.333% * 99.7638% (0.30 10.0 10.00 4.56 123.24) = 99.764% kept HB3 LYS+ 112 - HG12 ILE 103 33.333% * 0.1243% (0.37 1.0 1.00 0.02 0.02) = 0.124% QG2 THR 94 - HG12 ILE 103 33.333% * 0.1119% (0.33 1.0 1.00 0.02 0.02) = 0.112% Peak 3122 (0.98, 1.82, 28.60 ppm): 6 chemical-shift based assignments, quality = 0.521, support = 6.15, residual support = 121.2: O QG2 ILE 103 - HG12 ILE 103 16.667% * 82.0004% (0.60 10.0 6.43 123.24) = 82.000% kept O QD1 ILE 103 - HG12 ILE 103 16.667% * 16.3091% (0.12 10.0 5.32 123.24) = 16.309% kept QD2 LEU 40 - HG12 ILE 103 16.667% * 1.2256% (0.54 1.0 0.34 0.02) = 1.226% kept HG3 LYS+ 74 - HG12 ILE 103 16.667% * 0.3621% (0.59 1.0 0.09 0.02) = 0.362% QD1 LEU 67 - HG12 ILE 103 16.667% * 0.0761% (0.56 1.0 0.02 0.02) = 0.076% QD2 LEU 71 - HG12 ILE 103 16.667% * 0.0268% (0.20 1.0 0.02 0.02) = 0.027% Peak 3123 (0.70, 1.82, 28.60 ppm): 2 chemical-shift based assignments, quality = 0.43, support = 2.7, residual support = 3.93: QD1 LEU 98 - HG12 ILE 103 50.000% * 81.9623% (0.47 2.99 4.29) = 81.962% kept QG2 ILE 19 - HG12 ILE 103 50.000% * 18.0377% (0.23 1.37 2.28) = 18.038% kept Peak 3124 (0.95, 1.16, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.666, support = 4.87, residual support = 123.0: O QD1 ILE 103 - HG13 ILE 103 33.333% * 99.7891% (0.67 10.0 4.88 123.24) = 99.789% kept QG2 ILE 119 - HG13 ILE 103 33.333% * 0.1381% (0.92 1.0 0.02 0.02) = 0.138% QD2 LEU 71 - HG13 ILE 103 33.333% * 0.0728% (0.49 1.0 0.02 0.02) = 0.073% Peak 3125 (0.70, 1.16, 28.60 ppm): 2 chemical-shift based assignments, quality = 0.628, support = 1.13, residual support = 3.53: QD1 LEU 98 - HG13 ILE 103 50.000% * 61.9846% (0.78 1.02 4.29) = 61.985% kept QG2 ILE 19 - HG13 ILE 103 50.000% * 38.0154% (0.38 1.31 2.28) = 38.015% kept Peak 3126 (7.17, 0.96, 13.94 ppm): 4 chemical-shift based assignments, quality = 0.733, support = 0.788, residual support = 1.01: HH2 TRP 49 - QD1 ILE 103 25.000% * 87.2118% (0.77 0.88 1.16) = 87.212% kept HE21 GLN 30 - QD1 ILE 103 25.000% * 10.3388% (0.56 0.15 0.02) = 10.339% kept HD1 TRP 27 - QD1 ILE 103 25.000% * 2.0265% (0.17 0.10 0.02) = 2.027% kept QD PHE 59 - QD1 ILE 103 25.000% * 0.4229% (0.17 0.02 0.02) = 0.423% Peak 3127 (7.70, 0.96, 13.94 ppm): 4 chemical-shift based assignments, quality = 0.308, support = 0.614, residual support = 1.95: HE3 TRP 87 - QD1 ILE 103 25.000% * 59.8548% (0.23 0.86 2.06) = 59.855% kept HN TRP 87 - QD1 ILE 103 25.000% * 34.3691% (0.41 0.28 2.06) = 34.369% kept HN GLN 17 - QD1 ILE 103 25.000% * 3.6292% (0.61 0.02 0.02) = 3.629% kept HD21 ASN 69 - QD1 ILE 103 25.000% * 2.1469% (0.36 0.02 0.02) = 2.147% kept Peak 3128 (8.62, 0.96, 13.94 ppm): 3 chemical-shift based assignments, quality = 0.819, support = 5.55, residual support = 111.2: HN ILE 103 - QD1 ILE 103 33.333% * 90.2181% (0.84 6.09 123.24) = 90.218% kept HN GLN 90 - QD1 ILE 103 33.333% * 8.6334% (0.74 0.66 0.54) = 8.633% kept HN GLY 109 - QD1 ILE 103 33.333% * 1.1485% (0.20 0.33 0.02) = 1.148% kept Peak 3129 (4.29, 1.16, 28.60 ppm): 8 chemical-shift based assignments, quality = 0.483, support = 5.25, residual support = 120.1: O HA ILE 103 - HG13 ILE 103 12.500% * 97.4604% (0.49 10.0 5.38 123.24) = 97.460% kept HA ASP- 86 - HG13 ILE 103 12.500% * 1.7641% (0.49 1.0 0.36 0.02) = 1.764% kept HA MET 11 - HG13 ILE 103 12.500% * 0.1672% (0.84 1.0 0.02 0.02) = 0.167% HA ASP- 44 - HG13 ILE 103 12.500% * 0.1567% (0.78 1.0 0.02 0.02) = 0.157% HA SER 85 - HG13 ILE 103 12.500% * 0.1335% (0.67 1.0 0.02 0.02) = 0.134% HB THR 77 - HG13 ILE 103 12.500% * 0.1335% (0.67 1.0 0.02 0.02) = 0.134% HA ALA 12 - HG13 ILE 103 12.500% * 0.1093% (0.55 1.0 0.02 0.02) = 0.109% HA GLU- 14 - HG13 ILE 103 12.500% * 0.0751% (0.38 1.0 0.02 0.02) = 0.075% Peak 3130 (8.62, 1.16, 28.60 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 5.37, residual support = 109.4: HN ILE 103 - HG13 ILE 103 33.333% * 88.7444% (1.00 5.96 123.24) = 88.744% kept HN GLN 90 - HG13 ILE 103 33.333% * 10.0773% (0.88 0.77 0.54) = 10.077% kept HN GLY 109 - HG13 ILE 103 33.333% * 1.1783% (0.24 0.34 0.02) = 1.178% kept Peak 3131 (8.60, 0.98, 18.17 ppm): 3 chemical-shift based assignments, quality = 0.413, support = 6.36, residual support = 114.9: HN ILE 103 - QG2 ILE 103 33.333% * 93.1975% (0.43 6.76 123.24) = 93.198% kept HN GLN 90 - QG2 ILE 103 33.333% * 6.2100% (0.20 0.98 0.54) = 6.210% kept HN GLY 109 - QG2 ILE 103 33.333% * 0.5925% (0.92 0.02 0.02) = 0.592% Peak 3132 (4.62, 1.86, 38.31 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 0.237, residual support = 0.237: HA ALA 20 - HB ILE 103 100.000% *100.0000% (0.84 0.24 0.24) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3133 (2.98, 1.04, 43.48 ppm): 4 chemical-shift based assignments, quality = 0.609, support = 2.09, residual support = 2.35: HB2 PHE 97 - HB2 LEU 104 25.000% * 46.0922% (0.64 2.57 3.10) = 46.092% kept QE LYS+ 106 - HB2 LEU 104 25.000% * 30.9285% (0.57 1.94 1.51) = 30.929% kept HB3 TRP 27 - HB2 LEU 104 25.000% * 22.7812% (0.61 1.34 1.97) = 22.781% kept HB3 PHE 60 - HB2 LEU 104 25.000% * 0.1981% (0.35 0.02 0.02) = 0.198% Peak 3134 (7.80, 1.04, 43.48 ppm): 1 chemical-shift based assignment, quality = 0.641, support = 5.61, residual support = 15.9: HN ASP- 105 - HB2 LEU 104 100.000% *100.0000% (0.64 5.61 15.91) = 100.000% kept Peak 3135 (9.36, 1.04, 43.48 ppm): 2 chemical-shift based assignments, quality = 0.266, support = 5.5, residual support = 128.3: O HN LEU 104 - HB2 LEU 104 50.000% * 73.2007% (0.10 10.0 7.14 175.07) = 73.201% kept HN PHE 72 - HB2 LEU 104 50.000% * 26.7993% (0.72 1.0 1.00 0.52) = 26.799% kept Peak 3136 (9.38, 0.86, 43.48 ppm): 2 chemical-shift based assignments, quality = 0.451, support = 6.53, residual support = 171.7: O HN LEU 104 - HB3 LEU 104 50.000% * 98.0935% (0.46 10.0 6.64 175.07) = 98.093% kept HN PHE 72 - HB3 LEU 104 50.000% * 1.9065% (0.18 1.0 1.00 0.52) = 1.907% kept Peak 3137 (9.38, 1.53, 26.82 ppm): 2 chemical-shift based assignments, quality = 0.808, support = 6.54, residual support = 165.7: HN LEU 104 - HG LEU 104 50.000% * 94.6314% (0.84 6.85 175.07) = 94.631% kept HN PHE 72 - HG LEU 104 50.000% * 5.3686% (0.32 1.00 0.52) = 5.369% kept Peak 3138 (8.33, 1.53, 26.82 ppm): 4 chemical-shift based assignments, quality = 0.963, support = 1.21, residual support = 5.32: HN LYS+ 99 - HG LEU 104 25.000% * 76.9879% (0.96 1.46 6.65) = 76.988% kept HE1 HIS 122 - HG LEU 104 25.000% * 21.7744% (1.00 0.40 0.91) = 21.774% kept HN GLU- 14 - HG LEU 104 25.000% * 1.0561% (0.96 0.02 0.02) = 1.056% kept HN GLN 30 - HG LEU 104 25.000% * 0.1817% (0.16 0.02 1.75) = 0.182% Peak 3140 (9.36, 0.60, 26.08 ppm): 2 chemical-shift based assignments, quality = 0.295, support = 5.34, residual support = 137.6: HN LEU 104 - QD1 LEU 104 50.000% * 78.5321% (0.12 6.73 175.07) = 78.532% kept HN PHE 72 - QD1 LEU 104 50.000% * 21.4679% (0.92 0.25 0.52) = 21.468% kept Peak 3141 (1.75, 0.60, 26.08 ppm): 3 chemical-shift based assignments, quality = 0.167, support = 0.0559, residual support = 0.02: QD LYS+ 81 - QD1 LEU 104 33.333% * 61.6553% (0.15 0.08 0.02) = 61.655% kept HB VAL 43 - QD1 LEU 104 33.333% * 22.5866% (0.22 0.02 0.02) = 22.587% kept HB ILE 89 - QD1 LEU 104 33.333% * 15.7581% (0.15 0.02 0.02) = 15.758% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3142 (1.76, 0.73, 22.45 ppm): 6 chemical-shift based assignments, quality = 0.777, support = 1.94, residual support = 6.44: HB2 LYS+ 99 - QD2 LEU 104 16.667% * 96.8136% (0.78 1.00 2.00 6.65) = 96.814% kept HB VAL 43 - QD2 LEU 104 16.667% * 1.1414% (0.92 1.00 0.02 0.02) = 1.141% kept QD LYS+ 81 - QD2 LEU 104 16.667% * 1.0328% (0.84 1.00 0.02 0.02) = 1.033% kept T HB VAL 43 - QG2 VAL 18 16.667% * 0.8613% (0.07 10.00 0.02 0.02) = 0.861% QD LYS+ 81 - QG2 VAL 18 16.667% * 0.0779% (0.06 1.00 0.02 0.02) = 0.078% HB2 LYS+ 99 - QG2 VAL 18 16.667% * 0.0730% (0.06 1.00 0.02 0.02) = 0.073% Peak 3144 (1.87, 2.23, 47.73 ppm): 11 chemical-shift based assignments, quality = 0.583, support = 3.2, residual support = 26.6: O T HB3 ASP- 105 - HB2 ASP- 105 9.091% * 70.5069% (0.48 10.0 10.00 2.63 31.96) = 70.507% kept QB LYS+ 106 - HB2 ASP- 105 9.091% * 28.8185% (0.84 1.0 1.00 4.67 14.16) = 28.819% kept QB LYS+ 81 - HB2 ASP- 105 9.091% * 0.1192% (0.81 1.0 1.00 0.02 0.02) = 0.119% HB3 GLN 90 - HB2 ASP- 105 9.091% * 0.1078% (0.74 1.0 1.00 0.02 0.02) = 0.108% HB ILE 56 - HB2 ASP- 105 9.091% * 0.0938% (0.64 1.0 1.00 0.02 0.02) = 0.094% QB LYS+ 33 - HB2 ASP- 105 9.091% * 0.0938% (0.64 1.0 1.00 0.02 0.56) = 0.094% HB3 LYS+ 38 - HB2 ASP- 105 9.091% * 0.0628% (0.43 1.0 1.00 0.02 0.02) = 0.063% HG2 ARG+ 54 - HB2 ASP- 105 9.091% * 0.0628% (0.43 1.0 1.00 0.02 0.02) = 0.063% HB ILE 103 - HB2 ASP- 105 9.091% * 0.0555% (0.38 1.0 1.00 0.02 0.37) = 0.055% HG3 PRO 68 - HB2 ASP- 105 9.091% * 0.0485% (0.33 1.0 1.00 0.02 0.02) = 0.048% HB3 GLN 30 - HB2 ASP- 105 9.091% * 0.0304% (0.21 1.0 1.00 0.02 0.02) = 0.030% Peak 3145 (0.25, 2.23, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.245, support = 0.849, residual support = 0.849: T QG2 THR 118 - HB2 ASP- 105 100.000% *100.0000% (0.25 10.00 0.85 0.85) = 100.000% kept Peak 3146 (0.25, 1.86, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.0985, residual support = 0.849: QG2 THR 118 - HB3 ASP- 105 100.000% *100.0000% (0.28 0.10 0.85) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3147 (2.98, 2.23, 47.73 ppm): 4 chemical-shift based assignments, quality = 0.739, support = 3.78, residual support = 26.8: HB2 PHE 97 - HB2 ASP- 105 25.000% * 47.1052% (0.78 4.49 45.70) = 47.105% kept QE LYS+ 106 - HB2 ASP- 105 25.000% * 35.7476% (0.69 3.85 14.16) = 35.748% kept HB3 TRP 27 - HB2 ASP- 105 25.000% * 17.0316% (0.74 1.72 1.17) = 17.032% kept HB3 PHE 60 - HB2 ASP- 105 25.000% * 0.1156% (0.43 0.02 0.02) = 0.116% Peak 3148 (3.00, 1.86, 47.73 ppm): 4 chemical-shift based assignments, quality = 0.726, support = 3.22, residual support = 42.4: T HB2 PHE 97 - HB3 ASP- 105 25.000% * 92.7053% (0.73 10.00 3.40 45.70) = 92.705% kept HB3 TRP 27 - HB3 ASP- 105 25.000% * 5.8736% (0.78 1.00 1.18 1.17) = 5.874% kept QE LYS+ 99 - HB3 ASP- 105 25.000% * 1.4001% (0.49 1.00 0.45 0.23) = 1.400% kept QE LYS+ 38 - HB3 ASP- 105 25.000% * 0.0210% (0.16 1.00 0.02 0.02) = 0.021% Peak 3149 (4.79, 1.86, 47.73 ppm): 3 chemical-shift based assignments, quality = 0.726, support = 2.49, residual support = 31.9: O T HA ASP- 105 - HB3 ASP- 105 33.333% * 99.9327% (0.73 10.0 10.00 2.49 31.96) = 99.933% kept HB THR 23 - HB3 ASP- 105 33.333% * 0.0447% (0.32 1.0 1.00 0.02 0.02) = 0.045% HA LEU 80 - HB3 ASP- 105 33.333% * 0.0226% (0.16 1.0 1.00 0.02 0.02) = 0.023% Peak 3150 (7.80, 1.86, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 3.44, residual support = 32.0: O HN ASP- 105 - HB3 ASP- 105 100.000% *100.0000% (0.88 10.0 3.44 31.96) = 100.000% kept 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 = 0.727, support = 2.56, residual support = 40.8: QD PHE 97 - HB2 ASP- 105 50.000% * 89.3642% (0.74 2.82 45.70) = 89.364% kept HZ3 TRP 87 - HB2 ASP- 105 50.000% * 10.6358% (0.64 0.39 0.02) = 10.636% kept Peak 3153 (7.80, 2.23, 47.73 ppm): 1 chemical-shift based assignment, quality = 0.779, support = 3.79, residual support = 32.0: O HN ASP- 105 - HB2 ASP- 105 100.000% *100.0000% (0.78 10.0 3.79 31.96) = 100.000% kept 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): 1 chemical-shift based assignment, quality = 0.726, support = 0.75, residual support = 1.5: T HA MET 96 - HA LYS+ 106 100.000% *100.0000% (0.73 10.00 0.75 1.50) = 100.000% kept Peak 3156 (7.15, 5.63, 56.31 ppm): 1 chemical-shift based assignment, quality = 0.164, support = 3.29, residual support = 8.02: QD PHE 97 - HA LYS+ 106 100.000% *100.0000% (0.16 3.29 8.02) = 100.000% kept Peak 3157 (8.40, 5.63, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 1.71, residual support = 7.02: HN PHE 97 - HA LYS+ 106 50.000% * 87.5919% (0.78 1.92 8.02) = 87.592% kept HN LEU 115 - HA LYS+ 106 50.000% * 12.4081% (0.78 0.27 0.02) = 12.408% kept Peak 3158 (8.98, 5.63, 56.31 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 4.33, residual support = 101.0: O HN LYS+ 106 - HA LYS+ 106 100.000% *100.0000% (0.32 10.0 4.33 101.04) = 100.000% kept Peak 3159 (9.57, 5.63, 56.31 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 3.8, residual support = 21.2: O HN VAL 107 - HA LYS+ 106 50.000% * 99.8981% (0.98 10.0 3.81 21.24) = 99.898% kept HN GLY 51 - HA LYS+ 106 50.000% * 0.1019% (1.00 1.0 0.02 0.02) = 0.102% 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 = 0.976, support = 4.41, residual support = 21.1: HN VAL 107 - QB LYS+ 106 50.000% * 99.5419% (0.98 4.43 21.24) = 99.542% kept HN GLY 51 - QB LYS+ 106 50.000% * 0.4581% (1.00 0.02 0.02) = 0.458% Peak 3162 (1.39, 1.87, 37.27 ppm): 10 chemical-shift based assignments, quality = 0.446, support = 3.94, residual support = 74.8: O T HG3 LYS+ 106 - QB LYS+ 106 10.000% * 73.7358% (0.32 10.0 10.00 5.27 101.04) = 73.736% kept T HG3 LYS+ 33 - QB LYS+ 106 10.000% * 14.9767% (0.88 1.0 10.00 0.15 0.34) = 14.977% kept HB3 LEU 73 - QB LYS+ 106 10.000% * 3.3274% (0.67 1.0 1.00 0.44 5.68) = 3.327% kept HB VAL 42 - QB LYS+ 106 10.000% * 2.9147% (0.78 1.0 1.00 0.33 0.90) = 2.915% kept T HG3 LYS+ 65 - QB LYS+ 106 10.000% * 1.7777% (0.78 1.0 10.00 0.02 0.02) = 1.778% kept QB LEU 98 - QB LYS+ 106 10.000% * 1.5418% (0.49 1.0 1.00 0.28 0.02) = 1.542% kept T HG3 LYS+ 102 - QB LYS+ 106 10.000% * 1.3776% (0.61 1.0 10.00 0.02 0.02) = 1.378% kept QB ALA 12 - QB LYS+ 106 10.000% * 0.2004% (0.88 1.0 1.00 0.02 0.02) = 0.200% HB2 LYS+ 112 - QB LYS+ 106 10.000% * 0.1106% (0.49 1.0 1.00 0.02 0.02) = 0.111% HB3 LYS+ 74 - QB LYS+ 106 10.000% * 0.0374% (0.16 1.0 1.00 0.02 0.02) = 0.037% Peak 3163 (1.03, 1.87, 37.27 ppm): 3 chemical-shift based assignments, quality = 0.914, support = 0.958, residual support = 0.959: QG2 VAL 108 - QB LYS+ 106 33.333% * 53.7709% (1.00 1.19 0.85) = 53.771% kept HB2 LEU 104 - QB LYS+ 106 33.333% * 30.7527% (0.96 0.71 1.51) = 30.753% kept QD1 ILE 119 - QB LYS+ 106 33.333% * 15.4764% (0.55 0.63 0.25) = 15.476% kept Peak 3164 (1.16, 1.87, 37.27 ppm): 3 chemical-shift based assignments, quality = 0.577, support = 3.66, residual support = 19.7: QG2 VAL 107 - QB LYS+ 106 33.333% * 92.6588% (0.55 3.93 21.24) = 92.659% kept HG13 ILE 103 - QB LYS+ 106 33.333% * 7.1378% (1.00 0.17 0.02) = 7.138% kept HG2 LYS+ 121 - QB LYS+ 106 33.333% * 0.2034% (0.24 0.02 0.02) = 0.203% Peak 3165 (7.32, 1.55, 25.23 ppm): 12 chemical-shift based assignments, quality = 0.49, support = 0.676, residual support = 0.397: HE3 TRP 27 - QG LYS+ 81 8.333% * 34.0520% (0.37 1.02 0.81) = 34.052% kept HE3 TRP 27 - HG2 LYS+ 33 8.333% * 26.9001% (0.96 0.31 0.02) = 26.900% kept QD PHE 55 - QG LYS+ 81 8.333% * 24.9934% (0.34 0.81 0.44) = 24.993% kept QE PHE 95 - HG2 LYS+ 106 8.333% * 6.0456% (0.12 0.55 0.11) = 6.046% kept HN THR 23 - QG LYS+ 81 8.333% * 3.0693% (0.09 0.37 0.02) = 3.069% kept QD PHE 55 - HG2 LYS+ 33 8.333% * 1.6159% (0.88 0.02 0.02) = 1.616% kept HE3 TRP 27 - HG2 LYS+ 106 8.333% * 0.7586% (0.41 0.02 0.02) = 0.759% QE PHE 95 - QG LYS+ 81 8.333% * 0.7371% (0.11 0.08 0.02) = 0.737% QD PHE 55 - HG2 LYS+ 106 8.333% * 0.7002% (0.38 0.02 0.02) = 0.700% QE PHE 95 - HG2 LYS+ 33 8.333% * 0.5091% (0.28 0.02 0.02) = 0.509% HN THR 23 - HG2 LYS+ 33 8.333% * 0.4317% (0.24 0.02 0.02) = 0.432% HN THR 23 - HG2 LYS+ 106 8.333% * 0.1871% (0.10 0.02 0.02) = 0.187% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3166 (8.00, 1.55, 25.23 ppm): 6 chemical-shift based assignments, quality = 0.193, support = 0.382, residual support = 0.307: HN GLU- 79 - HG2 LYS+ 33 16.667% * 49.0180% (0.28 0.25 0.19) = 49.018% kept HN GLU- 79 - QG LYS+ 81 16.667% * 44.1693% (0.11 0.59 0.48) = 44.169% kept HN VAL 70 - HG2 LYS+ 33 16.667% * 2.8099% (0.20 0.02 0.02) = 2.810% kept HN GLU- 79 - HG2 LYS+ 106 16.667% * 1.7108% (0.12 0.02 0.02) = 1.711% kept HN VAL 70 - HG2 LYS+ 106 16.667% * 1.2177% (0.09 0.02 0.02) = 1.218% kept HN VAL 70 - QG LYS+ 81 16.667% * 1.0743% (0.08 0.02 0.02) = 1.074% kept Not enough support, support cutoff is 0.40 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 = 0.43, support = 2.85, residual support = 24.6: T HB2 PHE 95 - HB VAL 107 100.000% *100.0000% (0.43 10.00 2.85 24.55) = 100.000% kept Peak 3169 (1.15, 2.40, 36.05 ppm): 4 chemical-shift based assignments, quality = 0.476, support = 2.97, residual support = 48.1: O T QG2 VAL 107 - HB VAL 107 25.000% * 99.8295% (0.48 10.0 10.00 2.98 48.13) = 99.830% kept HG2 LYS+ 121 - HB VAL 107 25.000% * 0.0940% (0.45 1.0 1.00 0.02 0.02) = 0.094% QB ALA 20 - HB VAL 107 25.000% * 0.0382% (0.18 1.0 1.00 0.02 0.02) = 0.038% HG13 ILE 103 - HB VAL 107 25.000% * 0.0382% (0.18 1.0 1.00 0.02 0.02) = 0.038% Peak 3171 (1.10, 2.40, 36.05 ppm): 3 chemical-shift based assignments, quality = 0.465, support = 3.3, residual support = 48.1: O T QG1 VAL 107 - HB VAL 107 33.333% * 99.8431% (0.47 10.0 10.00 3.31 48.13) = 99.843% kept QG1 VAL 24 - HB VAL 107 33.333% * 0.0872% (0.41 1.0 1.00 0.02 0.02) = 0.087% HD3 LYS+ 112 - HB VAL 107 33.333% * 0.0697% (0.32 1.0 1.00 0.02 0.02) = 0.070% Peak 3172 (0.59, 2.40, 36.05 ppm): 6 chemical-shift based assignments, quality = 0.417, support = 0.509, residual support = 0.577: QD2 LEU 115 - HB VAL 107 16.667% * 31.8149% (0.41 0.69 1.62) = 31.815% kept QD1 LEU 73 - HB VAL 107 16.667% * 23.7688% (0.47 0.45 0.11) = 23.769% kept QD1 LEU 63 - HB VAL 107 16.667% * 23.7688% (0.47 0.45 0.11) = 23.769% kept QD2 LEU 80 - HB VAL 107 16.667% * 16.7496% (0.38 0.39 0.02) = 16.750% kept QD2 LEU 63 - HB VAL 107 16.667% * 3.4215% (0.08 0.38 0.11) = 3.422% kept QD1 LEU 104 - HB VAL 107 16.667% * 0.4762% (0.21 0.02 0.02) = 0.476% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3173 (7.03, 2.40, 36.05 ppm): 1 chemical-shift based assignment, quality = 0.353, support = 3.11, residual support = 24.6: T QD PHE 95 - HB VAL 107 100.000% *100.0000% (0.35 10.00 3.11 24.55) = 100.000% kept Peak 3174 (7.15, 2.40, 36.05 ppm): 1 chemical-shift based assignment, quality = 0.0801, support = 1.5, residual support = 2.94: QD PHE 97 - HB VAL 107 100.000% *100.0000% (0.08 1.50 2.94) = 100.000% kept Not enough quality. Peak unassigned. Peak 3175 (9.57, 2.40, 36.05 ppm): 2 chemical-shift based assignments, quality = 0.477, support = 3.3, residual support = 48.1: O HN VAL 107 - HB VAL 107 50.000% * 99.8981% (0.48 10.0 3.30 48.13) = 99.898% kept HN GLY 51 - HB VAL 107 50.000% * 0.1019% (0.49 1.0 0.02 0.02) = 0.102% Peak 3176 (9.86, 2.40, 36.05 ppm): 1 chemical-shift based assignment, quality = 0.183, support = 2.96, residual support = 24.6: HN PHE 95 - HB VAL 107 100.000% *100.0000% (0.18 2.96 24.55) = 100.000% kept Peak 3177 (1.15, 1.09, 22.46 ppm): 4 chemical-shift based assignments, quality = 0.979, support = 3.14, residual support = 48.1: O QG2 VAL 107 - QG1 VAL 107 25.000% * 99.8295% (0.98 10.0 3.15 48.13) = 99.830% kept HG2 LYS+ 121 - QG1 VAL 107 25.000% * 0.0940% (0.92 1.0 0.02 0.02) = 0.094% QB ALA 20 - QG1 VAL 107 25.000% * 0.0382% (0.38 1.0 0.02 0.02) = 0.038% HG13 ILE 103 - QG1 VAL 107 25.000% * 0.0382% (0.38 1.0 0.02 0.02) = 0.038% Peak 3178 (2.39, 1.09, 22.46 ppm): 3 chemical-shift based assignments, quality = 0.374, support = 3.29, residual support = 47.9: O T HB VAL 107 - QG1 VAL 107 33.333% * 99.5591% (0.38 10.0 10.00 3.31 48.13) = 99.559% kept QG GLN 32 - QG1 VAL 107 33.333% * 0.2639% (1.00 1.0 1.00 0.02 0.02) = 0.264% QG GLU- 79 - QG1 VAL 107 33.333% * 0.1769% (0.67 1.0 1.00 0.02 0.02) = 0.177% Peak 3179 (2.39, 1.15, 21.16 ppm): 3 chemical-shift based assignments, quality = 0.374, support = 2.96, residual support = 47.9: O T HB VAL 107 - QG2 VAL 107 33.333% * 99.5591% (0.38 10.0 10.00 2.98 48.13) = 99.559% kept QG GLN 32 - QG2 VAL 107 33.333% * 0.2639% (1.00 1.0 1.00 0.02 0.02) = 0.264% QG GLU- 79 - QG2 VAL 107 33.333% * 0.1769% (0.67 1.0 1.00 0.02 0.02) = 0.177% Peak 3180 (2.01, 1.15, 21.16 ppm): 8 chemical-shift based assignments, quality = 0.505, support = 0.586, residual support = 1.26: T QB GLU- 114 - QG2 VAL 107 12.500% * 74.1769% (0.38 10.00 0.58 1.56) = 74.177% kept HB2 LYS+ 111 - QG2 VAL 107 12.500% * 23.1023% (0.98 1.00 0.69 0.43) = 23.102% kept QB GLU- 15 - QG2 VAL 107 12.500% * 0.6862% (1.00 1.00 0.02 0.02) = 0.686% HB2 GLN 17 - QG2 VAL 107 12.500% * 0.6862% (1.00 1.00 0.02 0.02) = 0.686% HB3 GLU- 25 - QG2 VAL 107 12.500% * 0.6056% (0.88 1.00 0.02 0.02) = 0.606% HB3 PRO 68 - QG2 VAL 107 12.500% * 0.4162% (0.61 1.00 0.02 0.02) = 0.416% HB ILE 19 - QG2 VAL 107 12.500% * 0.1908% (0.28 1.00 0.02 0.02) = 0.191% HG2 PRO 68 - QG2 VAL 107 12.500% * 0.1358% (0.20 1.00 0.02 0.02) = 0.136% Peak 3181 (0.59, 1.09, 22.46 ppm): 6 chemical-shift based assignments, quality = 0.857, support = 1.06, residual support = 0.843: QD2 LEU 115 - QG1 VAL 107 16.667% * 49.1333% (0.84 1.65 1.62) = 49.133% kept QD1 LEU 73 - QG1 VAL 107 16.667% * 18.0008% (0.96 0.53 0.11) = 18.001% kept QD1 LEU 63 - QG1 VAL 107 16.667% * 18.0008% (0.96 0.53 0.11) = 18.001% kept QD2 LEU 80 - QG1 VAL 107 16.667% * 12.6850% (0.78 0.45 0.02) = 12.685% kept QD2 LEU 63 - QG1 VAL 107 16.667% * 1.8734% (0.16 0.32 0.11) = 1.873% kept QD1 LEU 104 - QG1 VAL 107 16.667% * 0.3067% (0.43 0.02 0.02) = 0.307% Peak 3182 (0.46, 1.15, 21.16 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.552, residual support = 0.552: QG1 VAL 75 - QG2 VAL 107 100.000% *100.0000% (0.28 0.55 0.55) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3183 (0.70, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.76, support = 0.154, residual support = 0.146: QD1 LEU 98 - QG2 VAL 107 50.000% * 94.4172% (0.78 0.16 0.15) = 94.417% kept QG2 ILE 19 - QG2 VAL 107 50.000% * 5.5828% (0.38 0.02 0.02) = 5.583% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3184 (4.50, 1.15, 21.16 ppm): 4 chemical-shift based assignments, quality = 0.163, support = 3.32, residual support = 47.6: O T HA VAL 107 - QG2 VAL 107 25.000% * 98.9664% (0.16 10.0 10.00 3.36 48.13) = 98.966% kept HA PRO 52 - QG2 VAL 107 25.000% * 0.4369% (0.73 1.0 1.00 0.02 0.02) = 0.437% HA TRP 27 - QG2 VAL 107 25.000% * 0.4013% (0.67 1.0 1.00 0.02 0.29) = 0.401% HA ALA 91 - QG2 VAL 107 25.000% * 0.1953% (0.32 1.0 1.00 0.02 0.02) = 0.195% Peak 3185 (2.07, 1.09, 22.46 ppm): 7 chemical-shift based assignments, quality = 0.208, support = 2.87, residual support = 5.88: HB VAL 108 - QG1 VAL 107 14.286% * 83.0078% (0.16 3.43 7.08) = 83.008% kept HG2 PRO 58 - QG1 VAL 107 14.286% * 10.1933% (0.38 0.18 0.02) = 10.193% kept HB2 PRO 93 - QG1 VAL 107 14.286% * 1.9624% (0.67 0.02 0.02) = 1.962% kept HG2 MET 11 - QG1 VAL 107 14.286% * 1.6066% (0.55 0.02 0.02) = 1.607% kept HB2 GLU- 14 - QG1 VAL 107 14.286% * 1.4321% (0.49 0.02 0.02) = 1.432% kept HG3 PRO 52 - QG1 VAL 107 14.286% * 1.1042% (0.38 0.02 0.02) = 1.104% kept HB2 ARG+ 54 - QG1 VAL 107 14.286% * 0.6936% (0.24 0.02 0.02) = 0.694% Peak 3186 (4.14, 1.09, 22.46 ppm): 6 chemical-shift based assignments, quality = 0.759, support = 0.967, residual support = 1.22: HA GLU- 114 - QG1 VAL 107 16.667% * 34.7650% (0.84 1.02 1.56) = 34.765% kept HA ASN 28 - QG1 VAL 107 16.667% * 31.7808% (0.73 1.07 0.62) = 31.781% kept HA LEU 115 - QG1 VAL 107 16.667% * 29.3065% (0.78 0.92 1.62) = 29.307% kept HA THR 26 - QG1 VAL 107 16.667% * 2.5631% (0.32 0.19 0.02) = 2.563% kept HA1 GLY 101 - QG1 VAL 107 16.667% * 0.8022% (0.98 0.02 0.02) = 0.802% HA ALA 34 - QG1 VAL 107 16.667% * 0.7824% (0.96 0.02 0.02) = 0.782% Peak 3187 (4.50, 1.09, 22.46 ppm): 4 chemical-shift based assignments, quality = 0.228, support = 3.19, residual support = 41.7: O T HA VAL 107 - QG1 VAL 107 25.000% * 86.6030% (0.16 10.0 10.00 3.57 48.13) = 86.603% kept HA TRP 27 - QG1 VAL 107 25.000% * 12.8437% (0.67 1.0 1.00 0.73 0.29) = 12.844% kept HA PRO 52 - QG1 VAL 107 25.000% * 0.3823% (0.73 1.0 1.00 0.02 0.02) = 0.382% HA ALA 91 - QG1 VAL 107 25.000% * 0.1709% (0.32 1.0 1.00 0.02 0.02) = 0.171% Peak 3188 (7.17, 1.09, 22.46 ppm): 4 chemical-shift based assignments, quality = 0.305, support = 0.362, residual support = 0.173: HD1 TRP 27 - QG1 VAL 107 25.000% * 56.1090% (0.20 0.52 0.29) = 56.109% kept QD PHE 59 - QG1 VAL 107 25.000% * 26.6007% (0.20 0.25 0.02) = 26.601% kept HH2 TRP 49 - QG1 VAL 107 25.000% * 10.0377% (0.92 0.02 0.02) = 10.038% kept HE21 GLN 30 - QG1 VAL 107 25.000% * 7.2525% (0.67 0.02 0.02) = 7.253% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3189 (7.02, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.878, support = 2.58, residual support = 24.4: QD PHE 95 - QG2 VAL 107 50.000% * 99.5241% (0.88 2.59 24.55) = 99.524% kept HN ALA 47 - QG2 VAL 107 50.000% * 0.4759% (0.55 0.02 0.02) = 0.476% Peak 3190 (8.40, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 0.809, residual support = 2.22: HN LEU 115 - QG2 VAL 107 50.000% * 54.2665% (0.78 0.87 1.62) = 54.267% kept HN PHE 97 - QG2 VAL 107 50.000% * 45.7335% (0.78 0.73 2.94) = 45.733% kept Peak 3191 (9.15, 1.15, 21.16 ppm): 2 chemical-shift based assignments, quality = 0.343, support = 2.21, residual support = 5.01: HN VAL 108 - QG2 VAL 107 50.000% * 56.9326% (0.28 2.84 7.08) = 56.933% kept HN VAL 43 - QG2 VAL 107 50.000% * 43.0674% (0.43 1.39 2.28) = 43.067% kept Peak 3192 (9.57, 1.09, 22.46 ppm): 2 chemical-shift based assignments, quality = 0.974, support = 3.47, residual support = 47.9: HN VAL 107 - QG1 VAL 107 50.000% * 99.4180% (0.98 3.49 48.13) = 99.418% kept HN GLY 51 - QG1 VAL 107 50.000% * 0.5820% (1.00 0.02 0.02) = 0.582% Peak 3193 (9.18, 1.09, 22.46 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 1.64, residual support = 2.28: HN VAL 43 - QG1 VAL 107 100.000% *100.0000% (0.43 1.64 2.28) = 100.000% kept Peak 3194 (8.75, 3.67, 43.34 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 1.75, residual support = 5.08: O HN ALA 110 - HA2 GLY 109 50.000% * 99.8929% (0.98 10.0 1.76 5.08) = 99.893% kept HN PHE 45 - HA2 GLY 109 50.000% * 0.1071% (0.92 1.0 0.02 0.02) = 0.107% Peak 3195 (8.62, 3.67, 43.34 ppm): 3 chemical-shift based assignments, quality = 0.265, support = 1.99, residual support = 8.82: O HN GLY 109 - HA2 GLY 109 33.333% * 95.7584% (0.24 10.0 2.07 9.21) = 95.758% kept HN GLN 90 - HA2 GLY 109 33.333% * 2.3013% (0.88 1.0 0.13 0.02) = 2.301% kept HN ILE 103 - HA2 GLY 109 33.333% * 1.9403% (1.00 1.0 0.10 0.02) = 1.940% kept Peak 3196 (9.15, 2.05, 32.95 ppm): 2 chemical-shift based assignments, quality = 0.295, support = 3.33, residual support = 48.3: O HN VAL 108 - HB VAL 108 50.000% * 88.6661% (0.28 10.0 3.54 54.36) = 88.666% kept HN VAL 43 - HB VAL 108 50.000% * 11.3339% (0.43 1.0 1.65 0.95) = 11.334% kept Peak 3197 (8.63, 0.89, 21.81 ppm): 3 chemical-shift based assignments, quality = 0.443, support = 0.64, residual support = 1.26: HN SER 82 - QG1 VAL 108 33.333% * 92.7478% (0.43 0.69 1.35) = 92.748% kept HN GLN 90 - QG1 VAL 108 33.333% * 4.5567% (0.73 0.02 0.02) = 4.557% kept HN ILE 103 - QG1 VAL 108 33.333% * 2.6955% (0.43 0.02 0.02) = 2.696% kept Peak 3198 (9.15, 0.89, 21.81 ppm): 2 chemical-shift based assignments, quality = 0.322, support = 3.02, residual support = 38.9: HN VAL 108 - QG1 VAL 108 50.000% * 71.0534% (0.28 3.84 54.36) = 71.053% kept HN VAL 43 - QG1 VAL 108 50.000% * 28.9466% (0.43 1.01 0.95) = 28.947% kept Peak 3199 (9.15, 1.03, 20.80 ppm): 2 chemical-shift based assignments, quality = 0.326, support = 2.76, residual support = 37.6: HN VAL 108 - QG2 VAL 108 50.000% * 68.5599% (0.28 3.54 54.36) = 68.560% kept HN VAL 43 - QG2 VAL 108 50.000% * 31.4401% (0.43 1.05 0.95) = 31.440% kept Peak 3200 (8.65, 1.03, 20.80 ppm): 3 chemical-shift based assignments, quality = 0.491, support = 1.33, residual support = 1.01: HN SER 82 - QG2 VAL 108 33.333% * 68.1615% (0.43 1.71 1.35) = 68.161% kept HN SER 117 - QG2 VAL 108 33.333% * 30.1250% (0.61 0.54 0.29) = 30.125% kept HN GLY 16 - QG2 VAL 108 33.333% * 1.7135% (0.92 0.02 0.02) = 1.714% kept Peak 3201 (5.58, 0.89, 21.81 ppm): 1 chemical-shift based assignment, quality = 0.546, support = 1.04, residual support = 1.23: HA LEU 73 - QG1 VAL 108 100.000% *100.0000% (0.55 1.04 1.23) = 100.000% kept Peak 3202 (5.60, 1.03, 20.80 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: Peak unassigned. Peak 3203 (1.35, 1.53, 33.52 ppm): 9 chemical-shift based assignments, quality = 0.423, support = 5.59, residual support = 279.1: O HG2 LYS+ 111 - HB3 LYS+ 111 11.111% * 98.5519% (0.43 10.0 5.68 283.24) = 98.552% kept HB3 ASP- 44 - HB3 LYS+ 111 11.111% * 0.2283% (1.00 1.0 0.02 0.27) = 0.228% QB ALA 124 - HB3 LYS+ 111 11.111% * 0.2193% (0.96 1.0 0.02 0.02) = 0.219% HB2 LEU 63 - HB3 LYS+ 111 11.111% * 0.2118% (0.92 1.0 0.02 0.35) = 0.212% HG LEU 98 - HB3 LYS+ 111 11.111% * 0.1916% (0.84 1.0 0.02 0.02) = 0.192% HB3 LEU 80 - HB3 LYS+ 111 11.111% * 0.1796% (0.78 1.0 0.02 0.02) = 0.180% QB ALA 84 - HB3 LYS+ 111 11.111% * 0.1530% (0.67 1.0 0.02 0.02) = 0.153% HB3 PRO 93 - HB3 LYS+ 111 11.111% * 0.1392% (0.61 1.0 0.02 0.02) = 0.139% HB2 LEU 31 - HB3 LYS+ 111 11.111% * 0.1253% (0.55 1.0 0.02 0.02) = 0.125% Peak 3204 (1.16, 1.53, 33.52 ppm): 3 chemical-shift based assignments, quality = 0.552, support = 0.403, residual support = 0.39: QG2 VAL 107 - HB3 LYS+ 111 33.333% * 85.3292% (0.55 0.46 0.43) = 85.329% kept HG2 LYS+ 121 - HB3 LYS+ 111 33.333% * 7.9258% (0.24 0.10 0.32) = 7.926% kept HG13 ILE 103 - HB3 LYS+ 111 33.333% * 6.7450% (1.00 0.02 0.02) = 6.745% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3205 (4.53, 1.53, 33.52 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 6.32, residual support = 283.2: O HA LYS+ 111 - HB3 LYS+ 111 50.000% * 99.9786% (0.92 10.0 6.32 283.24) = 99.979% kept HA PRO 52 - HB3 LYS+ 111 50.000% * 0.0214% (0.20 1.0 0.02 0.02) = 0.021% Peak 3206 (7.57, 1.53, 33.52 ppm): 3 chemical-shift based assignments, quality = 0.485, support = 4.45, residual support = 282.4: O HN LYS+ 111 - HB3 LYS+ 111 33.333% * 99.6965% (0.49 10.0 4.47 283.24) = 99.697% kept HE21 GLN 32 - HB3 LYS+ 111 33.333% * 0.2038% (1.00 1.0 0.02 0.02) = 0.204% HN ALA 84 - HB3 LYS+ 111 33.333% * 0.0997% (0.49 1.0 0.02 0.02) = 0.100% Peak 3207 (7.58, 2.02, 33.52 ppm): 10 chemical-shift based assignments, quality = 0.974, support = 6.11, residual support = 270.6: O HN LYS+ 111 - HB2 LYS+ 111 10.000% * 95.5424% (1.00 10.0 6.35 283.24) = 95.542% kept HN LEU 63 - HB2 LYS+ 111 10.000% * 2.7501% (0.49 1.0 1.18 0.35) = 2.750% kept HN ILE 56 - HB2 LYS+ 111 10.000% * 1.5368% (0.67 1.0 0.48 0.83) = 1.537% kept HN ALA 84 - HB2 LYS+ 111 10.000% * 0.0955% (1.00 1.0 0.02 0.02) = 0.096% HE21 GLN 32 - HB2 LYS+ 111 10.000% * 0.0467% (0.49 1.0 0.02 0.02) = 0.047% HN ALA 84 - HG3 GLN 30 10.000% * 0.0078% (0.08 1.0 0.02 0.02) = 0.008% HN LYS+ 111 - HG3 GLN 30 10.000% * 0.0078% (0.08 1.0 0.02 0.02) = 0.008% HN ILE 56 - HG3 GLN 30 10.000% * 0.0052% (0.05 1.0 0.02 1.05) = 0.005% HN LEU 63 - HG3 GLN 30 10.000% * 0.0038% (0.04 1.0 0.02 0.02) = 0.004% HE21 GLN 32 - HG3 GLN 30 10.000% * 0.0038% (0.04 1.0 0.02 0.88) = 0.004% Peak 3208 (7.61, 1.33, 24.92 ppm): 4 chemical-shift based assignments, quality = 0.551, support = 0.336, residual support = 0.234: HN LEU 63 - HG2 LYS+ 111 25.000% * 61.8304% (0.32 0.50 0.35) = 61.830% kept HD21 ASN 28 - HG2 LYS+ 111 25.000% * 30.6974% (0.98 0.08 0.02) = 30.697% kept HZ2 TRP 87 - HG2 LYS+ 111 25.000% * 5.9642% (0.78 0.02 0.02) = 5.964% kept HN ILE 56 - HG2 LYS+ 111 25.000% * 1.5080% (0.20 0.02 0.83) = 1.508% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3209 (7.59, 1.22, 24.92 ppm): 5 chemical-shift based assignments, quality = 0.516, support = 4.31, residual support = 196.4: HN LYS+ 111 - HG3 LYS+ 111 20.000% * 69.3100% (0.38 5.89 283.24) = 69.310% kept HN LEU 63 - HG3 LYS+ 111 20.000% * 24.1181% (1.00 0.77 0.35) = 24.118% kept HD21 ASN 28 - HG3 LYS+ 111 20.000% * 5.7582% (0.28 0.66 0.02) = 5.758% kept HN ILE 56 - HG3 LYS+ 111 20.000% * 0.5785% (0.92 0.02 0.83) = 0.579% HN ALA 84 - HG3 LYS+ 111 20.000% * 0.2352% (0.38 0.02 0.02) = 0.235% Peak 3210 (8.52, 1.22, 24.92 ppm): 2 chemical-shift based assignments, quality = 0.963, support = 1.08, residual support = 1.9: HN ASP- 78 - HG3 LYS+ 111 50.000% * 95.4375% (0.98 1.13 2.00) = 95.438% kept HN VAL 75 - HG3 LYS+ 111 50.000% * 4.5625% (0.61 0.09 0.02) = 4.562% kept Peak 3211 (1.99, 3.46, 61.33 ppm): 5 chemical-shift based assignments, quality = 0.532, support = 0.882, residual support = 1.88: T HB2 LEU 115 - HA LYS+ 112 20.000% * 83.2428% (0.55 10.00 0.75 2.23) = 83.243% kept QB GLU- 114 - HA LYS+ 112 20.000% * 15.9689% (0.49 1.00 1.61 0.20) = 15.969% kept HG2 PRO 68 - HA LYS+ 112 20.000% * 0.2952% (0.73 1.00 0.02 0.02) = 0.295% HB ILE 19 - HA LYS+ 112 20.000% * 0.2466% (0.61 1.00 0.02 0.02) = 0.247% HG3 PRO 58 - HA LYS+ 112 20.000% * 0.2466% (0.61 1.00 0.02 0.02) = 0.247% Peak 3212 (0.80, 3.46, 61.33 ppm): 3 chemical-shift based assignments, quality = 0.669, support = 1.24, residual support = 3.67: T QD1 ILE 56 - HA LYS+ 112 33.333% * 89.4108% (0.67 10.00 1.28 3.89) = 89.411% kept HG3 LYS+ 121 - HA LYS+ 112 33.333% * 7.7898% (0.84 1.00 0.89 1.03) = 7.790% kept QD2 LEU 73 - HA LYS+ 112 33.333% * 2.7994% (0.28 1.00 0.96 3.96) = 2.799% kept Peak 3213 (7.32, 3.46, 61.33 ppm): 4 chemical-shift based assignments, quality = 0.86, support = 0.442, residual support = 0.305: HE3 TRP 27 - HA LYS+ 112 25.000% * 60.1729% (0.96 0.54 0.38) = 60.173% kept QD PHE 55 - HA LYS+ 112 25.000% * 29.0175% (0.88 0.28 0.14) = 29.018% kept QE PHE 95 - HA LYS+ 112 25.000% * 10.2638% (0.28 0.32 0.38) = 10.264% kept HN THR 23 - HA LYS+ 112 25.000% * 0.5457% (0.24 0.02 0.02) = 0.546% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3214 (8.48, 3.46, 61.33 ppm): 4 chemical-shift based assignments, quality = 0.833, support = 5.26, residual support = 187.6: O HN LYS+ 112 - HA LYS+ 112 25.000% * 99.7748% (0.84 10.0 5.27 188.03) = 99.775% kept HN MET 11 - HA LYS+ 112 25.000% * 0.1189% (1.00 1.0 0.02 0.02) = 0.119% HN LYS+ 74 - HA LYS+ 112 25.000% * 0.0867% (0.73 1.0 0.02 0.34) = 0.087% HN THR 46 - HA LYS+ 112 25.000% * 0.0196% (0.16 1.0 0.02 0.02) = 0.020% Peak 3215 (8.51, 0.36, 25.56 ppm): 2 chemical-shift based assignments, quality = 0.315, support = 3.73, residual support = 106.6: HN LYS+ 112 - HG2 LYS+ 112 50.000% * 56.2628% (0.14 5.77 188.03) = 56.263% kept HN ASP- 78 - HG2 LYS+ 112 50.000% * 43.7372% (0.55 1.11 1.76) = 43.737% kept Peak 3216 (7.27, 0.36, 25.56 ppm): 4 chemical-shift based assignments, quality = 0.708, support = 1.06, residual support = 3.67: QE PHE 59 - HG2 LYS+ 112 25.000% * 85.0247% (0.78 1.18 3.85) = 85.025% kept HN PHE 59 - HG2 LYS+ 112 25.000% * 10.2070% (0.24 0.47 3.85) = 10.207% kept QD PHE 60 - HG2 LYS+ 112 25.000% * 3.2259% (0.16 0.21 0.02) = 3.226% kept HN LYS+ 66 - HG2 LYS+ 112 25.000% * 1.5424% (0.84 0.02 0.02) = 1.542% kept Peak 3217 (2.45, 0.36, 25.56 ppm): 5 chemical-shift based assignments, quality = 0.713, support = 1.82, residual support = 3.96: HB3 ASP- 62 - HG2 LYS+ 112 20.000% * 42.7849% (0.98 1.83 3.49) = 42.785% kept HG3 MET 96 - HG2 LYS+ 112 20.000% * 26.3433% (0.43 2.57 8.27) = 26.343% kept HB3 ASP- 86 - HG2 LYS+ 112 20.000% * 20.3726% (0.67 1.28 1.11) = 20.373% kept HG2 GLU- 29 - HG2 LYS+ 112 20.000% * 10.4206% (0.43 1.02 0.55) = 10.421% kept HG2 GLU- 36 - HG2 LYS+ 112 20.000% * 0.0786% (0.16 0.02 0.02) = 0.079% Peak 3218 (2.45, 1.05, 25.56 ppm): 5 chemical-shift based assignments, quality = 0.747, support = 2.24, residual support = 3.8: HB3 ASP- 62 - HG3 LYS+ 112 20.000% * 50.2302% (0.98 2.62 3.49) = 50.230% kept HG3 MET 96 - HG3 LYS+ 112 20.000% * 21.6257% (0.43 2.57 8.27) = 21.626% kept HB3 ASP- 86 - HG3 LYS+ 112 20.000% * 17.4175% (0.67 1.33 1.11) = 17.418% kept HG2 GLU- 29 - HG3 LYS+ 112 20.000% * 10.6622% (0.43 1.27 0.55) = 10.662% kept HG2 GLU- 36 - HG3 LYS+ 112 20.000% * 0.0644% (0.16 0.02 0.02) = 0.064% Peak 3219 (7.36, 1.05, 25.56 ppm): 4 chemical-shift based assignments, quality = 0.572, support = 0.169, residual support = 0.117: HN LEU 67 - HG3 LYS+ 112 25.000% * 67.6398% (0.43 0.24 0.16) = 67.640% kept HD2 HIS 22 - HG3 LYS+ 112 25.000% * 13.1056% (1.00 0.02 0.02) = 13.106% kept HD1 TRP 49 - HG3 LYS+ 112 25.000% * 12.0980% (0.92 0.02 0.02) = 12.098% kept HD21 ASN 35 - HG3 LYS+ 112 25.000% * 7.1566% (0.55 0.02 0.02) = 7.157% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3220 (8.51, 1.05, 25.56 ppm): 2 chemical-shift based assignments, quality = 0.325, support = 3.42, residual support = 102.0: HN LYS+ 112 - HG3 LYS+ 112 50.000% * 53.7895% (0.14 5.37 188.03) = 53.789% kept HN ASP- 78 - HG3 LYS+ 112 50.000% * 46.2105% (0.55 1.14 1.76) = 46.211% kept Peak 3221 (2.45, 1.20, 29.98 ppm): 5 chemical-shift based assignments, quality = 0.531, support = 2.91, residual support = 6.74: T HG3 MET 96 - HD2 LYS+ 112 20.000% * 73.7816% (0.43 10.00 3.40 8.27) = 73.782% kept HB3 ASP- 62 - HD2 LYS+ 112 20.000% * 15.2217% (0.98 1.00 1.81 3.49) = 15.222% kept HB3 ASP- 86 - HD2 LYS+ 112 20.000% * 7.2679% (0.67 1.00 1.27 1.11) = 7.268% kept HG2 GLU- 29 - HD2 LYS+ 112 20.000% * 3.7006% (0.43 1.00 1.00 0.55) = 3.701% kept HG2 GLU- 36 - HD2 LYS+ 112 20.000% * 0.0283% (0.16 1.00 0.02 0.02) = 0.028% Peak 3222 (0.36, 1.11, 29.98 ppm): 3 chemical-shift based assignments, quality = 0.689, support = 5.3, residual support = 187.6: O HG2 LYS+ 112 - HD3 LYS+ 112 33.333% * 99.7626% (0.69 10.0 5.31 188.03) = 99.763% kept QG1 VAL 42 - HD3 LYS+ 112 33.333% * 0.1249% (0.87 1.0 0.02 0.02) = 0.125% QB ALA 47 - HD3 LYS+ 112 33.333% * 0.1125% (0.78 1.0 0.02 0.02) = 0.112% Peak 3223 (2.45, 1.11, 29.98 ppm): 5 chemical-shift based assignments, quality = 0.612, support = 1.74, residual support = 4.27: HB3 ASP- 62 - HD3 LYS+ 112 20.000% * 39.8557% (0.87 1.51 3.49) = 39.856% kept HG3 MET 96 - HD3 LYS+ 112 20.000% * 31.6011% (0.38 2.73 8.27) = 31.601% kept HB3 ASP- 86 - HD3 LYS+ 112 20.000% * 19.1101% (0.59 1.06 1.11) = 19.110% kept HG2 GLU- 29 - HD3 LYS+ 112 20.000% * 9.3446% (0.38 0.81 0.55) = 9.345% kept HG2 GLU- 36 - HD3 LYS+ 112 20.000% * 0.0886% (0.15 0.02 0.02) = 0.089% Peak 3224 (0.36, 2.43, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.522, support = 3.95, residual support = 185.9: O HG2 LYS+ 112 - QE LYS+ 112 33.333% * 98.8701% (0.52 10.0 4.00 188.03) = 98.870% kept QB ALA 47 - QE LYS+ 112 33.333% * 1.0060% (0.59 1.0 0.18 0.02) = 1.006% kept QG1 VAL 42 - QE LYS+ 112 33.333% * 0.1238% (0.65 1.0 0.02 0.02) = 0.124% Peak 3225 (0.77, 2.43, 41.54 ppm): 5 chemical-shift based assignments, quality = 0.458, support = 0.62, residual support = 1.8: HG LEU 31 - QE LYS+ 112 20.000% * 59.0102% (0.56 0.75 0.61) = 59.010% kept QD2 LEU 73 - QE LYS+ 112 20.000% * 23.6941% (0.40 0.41 3.96) = 23.694% kept QD1 ILE 56 - QE LYS+ 112 20.000% * 12.9713% (0.16 0.58 3.89) = 12.971% kept QG1 VAL 43 - QE LYS+ 112 20.000% * 3.0679% (0.25 0.09 0.02) = 3.068% kept QG1 VAL 41 - QE LYS+ 112 20.000% * 1.2566% (0.44 0.02 0.02) = 1.257% kept Peak 3226 (1.06, 2.43, 41.54 ppm): 3 chemical-shift based assignments, quality = 0.615, support = 3.3, residual support = 187.8: O HG3 LYS+ 112 - QE LYS+ 112 33.333% * 99.8563% (0.62 10.0 3.31 188.03) = 99.856% kept HG LEU 63 - QE LYS+ 112 33.333% * 0.0847% (0.52 1.0 0.02 0.20) = 0.085% QG2 VAL 24 - QE LYS+ 112 33.333% * 0.0591% (0.36 1.0 0.02 0.02) = 0.059% Peak 3227 (1.14, 2.43, 41.54 ppm): 5 chemical-shift based assignments, quality = 0.289, support = 0.401, residual support = 0.528: HB3 LEU 31 - QE LYS+ 112 20.000% * 48.4490% (0.22 0.62 0.61) = 48.449% kept QG2 VAL 107 - QE LYS+ 112 20.000% * 22.9071% (0.22 0.29 0.02) = 22.907% kept HG2 LYS+ 121 - QE LYS+ 112 20.000% * 22.0798% (0.44 0.14 1.03) = 22.080% kept QB ALA 20 - QE LYS+ 112 20.000% * 4.7664% (0.66 0.02 0.02) = 4.766% kept HG13 ILE 119 - QE LYS+ 112 20.000% * 1.7978% (0.25 0.02 0.02) = 1.798% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3228 (7.33, 2.43, 41.54 ppm): 5 chemical-shift based assignments, quality = 0.515, support = 0.463, residual support = 0.168: HN THR 23 - QE LYS+ 112 20.000% * 36.5104% (0.62 0.59 0.02) = 36.510% kept QD PHE 55 - QE LYS+ 112 20.000% * 18.8463% (0.48 0.38 0.14) = 18.846% kept QE PHE 95 - QE LYS+ 112 20.000% * 18.3196% (0.64 0.28 0.38) = 18.320% kept HN LEU 67 - QE LYS+ 112 20.000% * 15.6513% (0.25 0.62 0.16) = 15.651% kept HE3 TRP 27 - QE LYS+ 112 20.000% * 10.6725% (0.40 0.26 0.38) = 10.672% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3230 (8.17, 2.68, 39.79 ppm): 5 chemical-shift based assignments, quality = 0.756, support = 2.36, residual support = 10.3: HN GLU- 114 - QB ASP- 113 20.000% * 66.1734% (0.67 3.07 15.22) = 66.173% kept HN GLN 116 - QB ASP- 113 20.000% * 31.7184% (0.96 1.03 0.74) = 31.718% kept HN THR 118 - QB ASP- 113 20.000% * 1.8222% (0.61 0.09 0.02) = 1.822% kept HN PHE 60 - QB ASP- 113 20.000% * 0.1797% (0.28 0.02 0.02) = 0.180% HN LEU 71 - QB ASP- 113 20.000% * 0.1063% (0.16 0.02 0.02) = 0.106% Peak 3231 (8.43, 2.68, 39.79 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.13, residual support = 13.4: O HN ASP- 113 - QB ASP- 113 100.000% *100.0000% (0.96 10.0 3.13 13.36) = 100.000% kept Peak 3232 (1.74, 4.37, 57.38 ppm): 2 chemical-shift based assignments, quality = 0.393, support = 0.02, residual support = 0.02: T HB3 LYS+ 99 - HA ASP- 113 50.000% * 73.8384% (0.24 10.00 0.02 0.02) = 73.838% kept HB ILE 89 - HA ASP- 113 50.000% * 26.1616% (0.84 1.00 0.02 0.02) = 26.162% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3233 (8.17, 4.14, 59.59 ppm): 10 chemical-shift based assignments, quality = 0.594, support = 4.16, residual support = 29.9: O HN GLU- 114 - HA GLU- 114 10.000% * 55.3016% (0.67 10.0 3.59 28.68) = 55.302% kept O HN GLN 116 - HA LEU 115 10.000% * 22.8121% (0.28 10.0 6.43 57.37) = 22.812% kept HN GLN 116 - HA GLU- 114 10.000% * 15.4707% (0.96 1.0 3.90 3.09) = 15.471% kept HN GLU- 114 - HA LEU 115 10.000% * 2.7462% (0.19 1.0 3.45 16.54) = 2.746% kept HN THR 118 - HA GLU- 114 10.000% * 1.5246% (0.61 1.0 0.61 0.11) = 1.525% kept HN PHE 60 - HA GLU- 114 10.000% * 0.8910% (0.28 1.0 0.77 0.02) = 0.891% HN THR 118 - HA LEU 115 10.000% * 0.8089% (0.17 1.0 1.12 0.45) = 0.809% HN PHE 60 - HA LEU 115 10.000% * 0.4273% (0.08 1.0 1.29 0.02) = 0.427% HN LEU 71 - HA GLU- 114 10.000% * 0.0136% (0.16 1.0 0.02 0.02) = 0.014% HN LEU 71 - HA LEU 115 10.000% * 0.0039% (0.05 1.0 0.02 0.02) = 0.004% Peak 3234 (8.40, 4.14, 59.59 ppm): 4 chemical-shift based assignments, quality = 0.658, support = 4.42, residual support = 50.2: O HN LEU 115 - HA GLU- 114 25.000% * 76.5108% (0.78 10.0 3.88 16.54) = 76.511% kept O HN LEU 115 - HA LEU 115 25.000% * 22.0193% (0.23 10.0 6.60 170.66) = 22.019% kept HN PHE 97 - HA GLU- 114 25.000% * 1.2186% (0.78 1.0 0.32 0.02) = 1.219% kept HN PHE 97 - HA LEU 115 25.000% * 0.2513% (0.23 1.0 0.23 0.02) = 0.251% Peak 3235 (8.17, 2.00, 29.90 ppm): 5 chemical-shift based assignments, quality = 0.669, support = 3.73, residual support = 22.5: O HN GLU- 114 - QB GLU- 114 20.000% * 76.2127% (0.62 10.0 3.80 28.68) = 76.213% kept HN GLN 116 - QB GLU- 114 20.000% * 21.0868% (0.88 1.0 3.86 3.09) = 21.087% kept HN THR 118 - QB GLU- 114 20.000% * 2.4532% (0.56 1.0 0.71 0.11) = 2.453% kept HN PHE 60 - QB GLU- 114 20.000% * 0.2286% (0.26 1.0 0.14 0.02) = 0.229% HN LEU 71 - QB GLU- 114 20.000% * 0.0188% (0.15 1.0 0.02 0.02) = 0.019% Peak 3236 (8.40, 2.00, 29.90 ppm): 2 chemical-shift based assignments, quality = 0.719, support = 4.62, residual support = 16.5: HN LEU 115 - QB GLU- 114 50.000% * 99.5707% (0.72 4.64 16.54) = 99.571% kept HN PHE 97 - QB GLU- 114 50.000% * 0.4293% (0.72 0.02 0.02) = 0.429% Peak 3237 (8.17, 2.31, 37.32 ppm): 5 chemical-shift based assignments, quality = 0.773, support = 2.49, residual support = 14.4: HN GLU- 114 - QG GLU- 114 20.000% * 45.3427% (0.66 3.24 28.68) = 45.343% kept HN GLN 116 - QG GLU- 114 20.000% * 43.6873% (0.95 2.18 3.09) = 43.687% kept HN THR 118 - QG GLU- 114 20.000% * 8.0488% (0.60 0.63 0.11) = 8.049% kept HN PHE 60 - QG GLU- 114 20.000% * 2.8522% (0.28 0.49 0.02) = 2.852% kept HN LEU 71 - QG GLU- 114 20.000% * 0.0690% (0.16 0.02 0.02) = 0.069% Peak 3238 (8.38, 2.31, 37.32 ppm): 4 chemical-shift based assignments, quality = 0.176, support = 4.93, residual support = 15.2: HN LEU 115 - QG GLU- 114 25.000% * 91.8168% (0.16 5.35 16.54) = 91.817% kept HN PHE 97 - QG GLU- 114 25.000% * 5.8475% (0.16 0.34 0.02) = 5.848% kept HN ALA 12 - QG GLU- 114 25.000% * 1.8433% (0.88 0.02 0.02) = 1.843% kept HN ASN 35 - QG GLU- 114 25.000% * 0.4924% (0.23 0.02 0.02) = 0.492% Peak 3239 (1.10, 2.31, 37.32 ppm): 3 chemical-shift based assignments, quality = 0.944, support = 0.812, residual support = 1.51: QG1 VAL 107 - QG GLU- 114 33.333% * 96.4009% (0.95 0.84 1.56) = 96.401% kept QG1 VAL 24 - QG GLU- 114 33.333% * 2.0012% (0.83 0.02 0.02) = 2.001% kept HD3 LYS+ 112 - QG GLU- 114 33.333% * 1.5980% (0.66 0.02 0.20) = 1.598% kept Peak 3240 (1.14, 2.00, 29.90 ppm): 5 chemical-shift based assignments, quality = 0.503, support = 0.778, residual support = 1.19: T QG2 VAL 107 - QB GLU- 114 20.000% * 48.7220% (0.30 10.00 0.58 1.56) = 48.722% kept QB ALA 20 - QB GLU- 114 20.000% * 24.2773% (0.92 1.00 0.94 0.66) = 24.277% kept HG2 LYS+ 121 - QB GLU- 114 20.000% * 15.3620% (0.62 1.00 0.88 1.03) = 15.362% kept HG13 ILE 119 - QB GLU- 114 20.000% * 11.4695% (0.35 1.00 1.17 1.00) = 11.469% kept HB3 LEU 31 - QB GLU- 114 20.000% * 0.1692% (0.30 1.00 0.02 0.02) = 0.169% Peak 3243 (4.12, 1.46, 42.01 ppm): 7 chemical-shift based assignments, quality = 0.808, support = 5.98, residual support = 154.9: O HA LEU 115 - HB3 LEU 115 14.286% * 90.4340% (0.84 10.0 6.43 170.66) = 90.434% kept HA ARG+ 54 - HB3 LEU 115 14.286% * 3.3243% (0.67 1.0 0.92 1.89) = 3.324% kept HA GLU- 114 - HB3 LEU 115 14.286% * 3.2218% (0.16 1.0 3.62 16.54) = 3.222% kept HA ASN 28 - HB3 LEU 115 14.286% * 2.8664% (0.88 1.0 0.60 0.58) = 2.866% kept HA ALA 34 - HB3 LEU 115 14.286% * 0.0657% (0.61 1.0 0.02 0.29) = 0.066% HA ALA 124 - HB3 LEU 115 14.286% * 0.0527% (0.49 1.0 0.02 0.02) = 0.053% HA1 GLY 101 - HB3 LEU 115 14.286% * 0.0351% (0.32 1.0 0.02 0.02) = 0.035% Peak 3244 (0.44, 1.46, 42.01 ppm): 2 chemical-shift based assignments, quality = 0.732, support = 5.64, residual support = 166.4: O QD1 LEU 115 - HB3 LEU 115 50.000% * 97.4821% (0.73 10.0 5.77 170.66) = 97.482% kept QG1 VAL 75 - HB3 LEU 115 50.000% * 2.5179% (0.96 1.0 0.39 0.02) = 2.518% kept Peak 3245 (0.57, 1.46, 42.01 ppm): 4 chemical-shift based assignments, quality = 0.301, support = 5.12, residual support = 124.4: O QD2 LEU 115 - HB3 LEU 115 25.000% * 72.8628% (0.16 10.0 6.78 170.66) = 72.863% kept QD1 LEU 63 - HB3 LEU 115 25.000% * 10.5908% (0.61 1.0 0.79 0.02) = 10.591% kept QD1 LEU 73 - HB3 LEU 115 25.000% * 9.1275% (0.61 1.0 0.68 0.02) = 9.127% kept QD2 LEU 63 - HB3 LEU 115 25.000% * 7.4189% (0.84 1.0 0.40 0.02) = 7.419% kept Peak 3246 (8.17, 1.46, 42.01 ppm): 5 chemical-shift based assignments, quality = 0.839, support = 5.14, residual support = 41.4: HN GLN 116 - HB3 LEU 115 20.000% * 66.3697% (0.96 6.60 57.37) = 66.370% kept HN GLU- 114 - HB3 LEU 115 20.000% * 19.6120% (0.67 2.79 16.54) = 19.612% kept HN THR 118 - HB3 LEU 115 20.000% * 10.7176% (0.61 1.68 0.45) = 10.718% kept HN PHE 60 - HB3 LEU 115 20.000% * 3.2662% (0.28 1.12 0.02) = 3.266% kept HN LEU 71 - HB3 LEU 115 20.000% * 0.0346% (0.16 0.02 0.02) = 0.035% Peak 3247 (8.40, 1.46, 42.01 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 6.72, residual support = 168.7: O HN LEU 115 - HB3 LEU 115 50.000% * 98.8715% (0.78 10.0 6.80 170.66) = 98.872% kept HN PHE 97 - HB3 LEU 115 50.000% * 1.1285% (0.78 1.0 0.23 0.02) = 1.128% kept Peak 3248 (3.47, 1.98, 42.01 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 0.75, residual support = 2.23: T HA LYS+ 112 - HB2 LEU 115 100.000% *100.0000% (0.43 10.00 0.75 2.23) = 100.000% kept Peak 3249 (7.33, 1.98, 42.01 ppm): 5 chemical-shift based assignments, quality = 0.754, support = 1.08, residual support = 3.41: QD PHE 55 - HB2 LEU 115 20.000% * 30.5623% (0.73 1.41 1.99) = 30.562% kept HE3 TRP 27 - HB2 LEU 115 20.000% * 25.4832% (0.61 1.41 8.39) = 25.483% kept QE PHE 95 - HB2 LEU 115 20.000% * 21.1140% (0.96 0.74 3.15) = 21.114% kept HN THR 23 - HB2 LEU 115 20.000% * 16.4491% (0.92 0.60 0.02) = 16.449% kept HN LEU 67 - HB2 LEU 115 20.000% * 6.3915% (0.38 0.57 0.02) = 6.392% kept Peak 3250 (8.18, 1.98, 42.01 ppm): 3 chemical-shift based assignments, quality = 0.661, support = 5.63, residual support = 48.5: HN GLN 116 - HB2 LEU 115 33.333% * 84.3652% (0.61 6.59 57.37) = 84.365% kept HN THR 118 - HB2 LEU 115 33.333% * 11.3745% (0.96 0.56 0.45) = 11.374% kept HN PHE 60 - HB2 LEU 115 33.333% * 4.2603% (0.96 0.21 0.02) = 4.260% kept Peak 3251 (8.40, 1.98, 42.01 ppm): 2 chemical-shift based assignments, quality = 0.783, support = 6.54, residual support = 168.7: O HN LEU 115 - HB2 LEU 115 50.000% * 98.8715% (0.78 10.0 6.61 170.66) = 98.872% kept HN PHE 97 - HB2 LEU 115 50.000% * 1.1285% (0.78 1.0 0.23 0.02) = 1.128% kept Peak 3252 (8.17, 4.12, 59.41 ppm): 10 chemical-shift based assignments, quality = 0.601, support = 5.82, residual support = 50.0: O HN GLN 116 - HA LEU 115 10.000% * 84.1514% (0.64 10.0 6.43 57.37) = 84.151% kept HN GLU- 114 - HA LEU 115 10.000% * 10.1305% (0.44 1.0 3.45 16.54) = 10.130% kept HN THR 118 - HA LEU 115 10.000% * 2.9838% (0.40 1.0 1.12 0.45) = 2.984% kept HN PHE 60 - HA LEU 115 10.000% * 1.5763% (0.19 1.0 1.29 0.02) = 1.576% kept HN GLN 116 - HA ARG+ 54 10.000% * 1.0476% (0.41 1.0 0.39 0.02) = 1.048% kept HN GLU- 114 - HA ARG+ 54 10.000% * 0.0373% (0.28 1.0 0.02 0.02) = 0.037% HN THR 118 - HA ARG+ 54 10.000% * 0.0339% (0.26 1.0 0.02 0.02) = 0.034% HN PHE 60 - HA ARG+ 54 10.000% * 0.0155% (0.12 1.0 0.02 0.02) = 0.016% HN LEU 71 - HA LEU 115 10.000% * 0.0145% (0.11 1.0 0.02 0.02) = 0.014% HN LEU 71 - HA ARG+ 54 10.000% * 0.0092% (0.07 1.0 0.02 0.02) = 0.009% Peak 3253 (8.40, 4.12, 59.41 ppm): 4 chemical-shift based assignments, quality = 0.517, support = 6.37, residual support = 164.4: O HN LEU 115 - HA LEU 115 25.000% * 96.2887% (0.52 10.0 6.60 170.66) = 96.289% kept HN LEU 115 - HA ARG+ 54 25.000% * 2.5512% (0.33 1.0 0.83 1.89) = 2.551% kept HN PHE 97 - HA LEU 115 25.000% * 1.0990% (0.52 1.0 0.23 0.02) = 1.099% kept HN PHE 97 - HA ARG+ 54 25.000% * 0.0612% (0.33 1.0 0.02 0.02) = 0.061% Peak 3254 (8.40, 1.48, 26.92 ppm): 2 chemical-shift based assignments, quality = 0.568, support = 6.08, residual support = 164.7: HN LEU 115 - HG LEU 115 50.000% * 96.4972% (0.57 6.29 170.66) = 96.497% kept HN PHE 97 - HG LEU 115 50.000% * 3.5028% (0.57 0.23 0.02) = 3.503% kept Peak 3255 (6.91, 0.43, 25.13 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.75, residual support = 1.64: HN LYS+ 65 - QD1 LEU 115 100.000% *100.0000% (0.73 0.75 1.64) = 100.000% kept Peak 3256 (7.32, 0.43, 25.13 ppm): 4 chemical-shift based assignments, quality = 0.821, support = 1.69, residual support = 4.9: HE3 TRP 27 - QD1 LEU 115 25.000% * 45.6456% (0.96 1.84 8.39) = 45.646% kept QD PHE 55 - QD1 LEU 115 25.000% * 39.1252% (0.88 1.71 1.99) = 39.125% kept QE PHE 95 - QD1 LEU 115 25.000% * 9.3101% (0.28 1.29 3.15) = 9.310% kept HN THR 23 - QD1 LEU 115 25.000% * 5.9190% (0.24 0.97 0.02) = 5.919% kept Peak 3257 (7.19, 0.43, 25.13 ppm): 4 chemical-shift based assignments, quality = 0.87, support = 1.71, residual support = 9.69: HD1 TRP 27 - QD1 LEU 115 25.000% * 48.4561% (0.88 1.80 8.39) = 48.456% kept QD PHE 59 - QD1 LEU 115 25.000% * 47.3282% (0.88 1.76 11.88) = 47.328% kept HH2 TRP 49 - QD1 LEU 115 25.000% * 3.6535% (0.67 0.18 0.02) = 3.653% kept HE21 GLN 30 - QD1 LEU 115 25.000% * 0.5622% (0.92 0.02 0.43) = 0.562% Peak 3258 (7.03, 0.59, 23.43 ppm): 1 chemical-shift based assignment, quality = 0.67, support = 1.24, residual support = 3.15: T QD PHE 95 - QD2 LEU 115 100.000% *100.0000% (0.67 10.00 1.24 3.15) = 100.000% kept Peak 3259 (7.25, 0.59, 23.43 ppm): 4 chemical-shift based assignments, quality = 0.763, support = 1.44, residual support = 11.3: QE PHE 59 - QD2 LEU 115 25.000% * 63.9666% (0.77 1.81 11.88) = 63.967% kept HN PHE 59 - QD2 LEU 115 25.000% * 30.7267% (0.85 0.79 11.88) = 30.727% kept HN LYS+ 66 - QD2 LEU 115 25.000% * 5.1676% (0.15 0.74 0.18) = 5.168% kept HN HIS 122 - QD2 LEU 115 25.000% * 0.1391% (0.15 0.02 0.02) = 0.139% Peak 3260 (1.01, 4.01, 60.31 ppm): 2 chemical-shift based assignments, quality = 0.324, support = 2.71, residual support = 8.11: T QD1 ILE 119 - HA GLN 116 50.000% * 99.7289% (0.32 10.00 2.72 8.14) = 99.729% kept HB VAL 75 - HA GLN 116 50.000% * 0.2711% (0.88 1.00 0.02 0.02) = 0.271% Peak 3261 (0.59, 4.01, 60.31 ppm): 6 chemical-shift based assignments, quality = 0.859, support = 3.43, residual support = 28.6: QD2 LEU 115 - HA GLN 116 16.667% * 48.5254% (0.84 5.20 57.37) = 48.525% kept QD1 LEU 73 - HA GLN 116 16.667% * 23.6313% (0.96 2.21 1.53) = 23.631% kept QD1 LEU 63 - HA GLN 116 16.667% * 18.2236% (0.96 1.70 2.06) = 18.224% kept QD2 LEU 80 - HA GLN 116 16.667% * 5.4428% (0.78 0.62 0.02) = 5.443% kept QD2 LEU 63 - HA GLN 116 16.667% * 2.5560% (0.16 1.39 2.06) = 2.556% kept QD1 LEU 104 - HA GLN 116 16.667% * 1.6210% (0.43 0.34 0.02) = 1.621% kept Peak 3262 (7.93, 4.01, 60.31 ppm): 3 chemical-shift based assignments, quality = 0.291, support = 2.63, residual support = 7.88: HN ILE 119 - HA GLN 116 33.333% * 96.9096% (0.28 2.71 8.14) = 96.910% kept HN CYS 21 - HA GLN 116 33.333% * 2.3751% (0.92 0.02 0.02) = 2.375% kept HN LYS+ 33 - HA GLN 116 33.333% * 0.7154% (0.28 0.02 0.02) = 0.715% Peak 3263 (8.17, 4.01, 60.31 ppm): 5 chemical-shift based assignments, quality = 0.915, support = 5.37, residual support = 78.2: O HN GLN 116 - HA GLN 116 20.000% * 89.6537% (0.96 10.0 5.66 87.15) = 89.654% kept HN THR 118 - HA GLN 116 20.000% * 9.0415% (0.61 1.0 3.18 0.86) = 9.042% kept HN PHE 60 - HA GLN 116 20.000% * 1.2268% (0.28 1.0 0.94 0.02) = 1.227% kept HN GLU- 114 - HA GLN 116 20.000% * 0.0625% (0.67 1.0 0.02 3.09) = 0.063% HN LEU 71 - HA GLN 116 20.000% * 0.0154% (0.16 1.0 0.02 0.02) = 0.015% Peak 3264 (4.38, 2.37, 29.51 ppm): 6 chemical-shift based assignments, quality = 0.671, support = 0.412, residual support = 0.205: HA ASN 35 - HB2 GLN 116 16.667% * 39.3496% (0.88 0.33 0.02) = 39.350% kept HA LYS+ 99 - HB2 GLN 116 16.667% * 35.2507% (0.67 0.39 0.15) = 35.251% kept HA ASP- 113 - HB2 GLN 116 16.667% * 19.4851% (0.20 0.73 0.74) = 19.485% kept HA LEU 123 - HB2 GLN 116 16.667% * 2.6797% (1.00 0.02 0.02) = 2.680% kept HA ILE 56 - HB2 GLN 116 16.667% * 2.4860% (0.92 0.02 0.02) = 2.486% kept HA LEU 40 - HB2 GLN 116 16.667% * 0.7488% (0.28 0.02 0.02) = 0.749% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3265 (0.57, 2.37, 29.51 ppm): 4 chemical-shift based assignments, quality = 0.56, support = 2.35, residual support = 15.7: QD2 LEU 63 - HB2 GLN 116 25.000% * 27.8269% (0.84 1.20 2.06) = 27.827% kept QD2 LEU 115 - HB2 GLN 116 25.000% * 24.9523% (0.16 5.44 57.37) = 24.952% kept QD1 LEU 63 - HB2 GLN 116 25.000% * 24.5127% (0.61 1.45 2.06) = 24.513% kept QD1 LEU 73 - HB2 GLN 116 25.000% * 22.7082% (0.61 1.34 1.53) = 22.708% kept Peak 3266 (0.59, 2.54, 34.75 ppm): 6 chemical-shift based assignments, quality = 0.903, support = 4.01, residual support = 38.8: QD2 LEU 115 - HG2 GLN 116 16.667% * 66.7096% (1.00 5.34 57.37) = 66.710% kept QD1 LEU 63 - HG2 GLN 116 16.667% * 14.3740% (0.67 1.72 2.06) = 14.374% kept QD1 LEU 73 - HG2 GLN 116 16.667% * 12.3270% (0.67 1.48 1.53) = 12.327% kept QD1 LEU 104 - HG2 GLN 116 16.667% * 3.3018% (0.78 0.34 0.02) = 3.302% kept QD2 LEU 80 - HG2 GLN 116 16.667% * 3.2465% (1.00 0.26 0.02) = 3.246% kept QG1 VAL 83 - HG2 GLN 116 16.667% * 0.0411% (0.16 0.02 0.02) = 0.041% Peak 3267 (7.40, 2.54, 34.75 ppm): 3 chemical-shift based assignments, quality = 0.374, support = 4.08, residual support = 86.8: O HE21 GLN 116 - HG2 GLN 116 33.333% * 99.6171% (0.38 10.0 4.10 87.15) = 99.617% kept HE21 GLN 90 - HG2 GLN 116 33.333% * 0.2537% (0.96 1.0 0.02 0.02) = 0.254% HN ALA 57 - HG2 GLN 116 33.333% * 0.1292% (0.49 1.0 0.02 0.02) = 0.129% Peak 3268 (8.18, 2.54, 34.75 ppm): 3 chemical-shift based assignments, quality = 0.702, support = 4.08, residual support = 63.4: HN GLN 116 - HG2 GLN 116 33.333% * 72.5944% (0.61 5.37 87.15) = 72.594% kept HN THR 118 - HG2 GLN 116 33.333% * 16.9998% (0.96 0.80 0.86) = 17.000% kept HN PHE 60 - HG2 GLN 116 33.333% * 10.4058% (0.96 0.49 0.02) = 10.406% kept Peak 3269 (7.34, 2.37, 29.51 ppm): 5 chemical-shift based assignments, quality = 0.635, support = 0.208, residual support = 0.02: QE PHE 95 - HB2 GLN 116 20.000% * 38.3833% (0.55 0.32 0.02) = 38.383% kept HN THR 23 - HB2 GLN 116 20.000% * 24.6725% (0.61 0.18 0.02) = 24.673% kept HN LEU 67 - HB2 GLN 116 20.000% * 19.3793% (1.00 0.09 0.02) = 19.379% kept HD2 HIS 22 - HB2 GLN 116 20.000% * 14.6253% (0.43 0.15 0.02) = 14.625% kept HD1 TRP 49 - HB2 GLN 116 20.000% * 2.9396% (0.67 0.02 0.02) = 2.940% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3270 (8.17, 2.37, 29.51 ppm): 5 chemical-shift based assignments, quality = 0.918, support = 5.25, residual support = 79.6: O HN GLN 116 - HB2 GLN 116 20.000% * 91.2090% (0.96 10.0 5.56 87.15) = 91.209% kept HN THR 118 - HB2 GLN 116 20.000% * 6.5952% (0.61 1.0 2.28 0.86) = 6.595% kept HN PHE 60 - HB2 GLN 116 20.000% * 2.1165% (0.28 1.0 1.60 0.02) = 2.117% kept HN GLU- 114 - HB2 GLN 116 20.000% * 0.0636% (0.67 1.0 0.02 3.09) = 0.064% HN LEU 71 - HB2 GLN 116 20.000% * 0.0157% (0.16 1.0 0.02 0.02) = 0.016% Peak 3271 (8.67, 2.37, 29.51 ppm): 2 chemical-shift based assignments, quality = 0.952, support = 3.72, residual support = 19.2: HN SER 117 - HB2 GLN 116 50.000% * 99.6278% (0.96 3.73 19.28) = 99.628% kept HN GLY 16 - HB2 GLN 116 50.000% * 0.3722% (0.67 0.02 0.02) = 0.372% Peak 3272 (8.67, 4.01, 60.31 ppm): 2 chemical-shift based assignments, quality = 0.953, support = 3.7, residual support = 19.1: O HN SER 117 - HA GLN 116 50.000% * 98.8154% (0.96 10.0 3.74 19.28) = 98.815% kept HN GLY 16 - HA GLN 116 50.000% * 1.1846% (0.67 1.0 0.34 0.02) = 1.185% kept Peak 3273 (1.48, 4.24, 61.69 ppm): 5 chemical-shift based assignments, quality = 0.83, support = 1.23, residual support = 2.81: T QB ALA 120 - HA SER 117 20.000% * 92.4346% (0.84 10.00 1.26 2.90) = 92.435% kept HG LEU 115 - HA SER 117 20.000% * 6.9212% (0.84 1.00 0.94 1.79) = 6.921% kept HG LEU 67 - HA SER 117 20.000% * 0.4270% (0.20 1.00 0.25 0.02) = 0.427% HB3 LEU 40 - HA SER 117 20.000% * 0.1757% (1.00 1.00 0.02 0.02) = 0.176% HB2 LYS+ 74 - HA SER 117 20.000% * 0.0414% (0.24 1.00 0.02 0.02) = 0.041% Peak 3274 (7.40, 4.24, 61.69 ppm): 3 chemical-shift based assignments, quality = 0.39, support = 2.04, residual support = 18.6: HE21 GLN 116 - HA SER 117 33.333% * 96.4957% (0.38 2.12 19.28) = 96.496% kept HE21 GLN 90 - HA SER 117 33.333% * 2.3220% (0.96 0.02 0.02) = 2.322% kept HN ALA 57 - HA SER 117 33.333% * 1.1823% (0.49 0.02 0.02) = 1.182% kept Peak 3275 (8.68, 4.24, 61.69 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 3.46, residual support = 5.31: O HN SER 117 - HA SER 117 100.000% *100.0000% (0.28 10.0 3.46 5.31) = 100.000% kept Peak 3278 (7.30, 3.93, 63.04 ppm): 8 chemical-shift based assignments, quality = 0.446, support = 0.165, residual support = 0.11: HN LYS+ 81 - QB SER 117 12.500% * 74.8773% (0.55 0.19 0.14) = 74.877% kept QD PHE 60 - QB SER 117 12.500% * 14.1453% (0.14 0.14 0.02) = 14.145% kept HE3 TRP 27 - QB SER 117 12.500% * 4.0424% (0.28 0.02 0.02) = 4.042% kept QD PHE 55 - QB SER 117 12.500% * 2.8773% (0.20 0.02 0.02) = 2.877% kept QD PHE 60 - QB SER 48 12.500% * 1.8158% (0.02 0.12 0.02) = 1.816% kept HN LYS+ 81 - QB SER 48 12.500% * 1.1979% (0.08 0.02 0.02) = 1.198% kept HE3 TRP 27 - QB SER 48 12.500% * 0.6099% (0.04 0.02 0.02) = 0.610% QD PHE 55 - QB SER 48 12.500% * 0.4341% (0.03 0.02 0.02) = 0.434% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3280 (0.23, 3.88, 68.07 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 2.88, residual support = 18.2: O T QG2 THR 118 - HB THR 118 100.000% *100.0000% (0.96 10.0 10.00 2.88 18.17) = 100.000% kept Peak 3281 (1.10, 3.88, 68.07 ppm): 3 chemical-shift based assignments, quality = 0.803, support = 0.826, residual support = 0.742: QG1 VAL 24 - HB THR 118 33.333% * 42.2442% (0.84 0.92 0.89) = 42.244% kept HD3 LYS+ 112 - HB THR 118 33.333% * 35.1962% (0.67 0.96 0.90) = 35.196% kept QG1 VAL 107 - HB THR 118 33.333% * 22.5596% (0.96 0.43 0.22) = 22.560% kept Peak 3282 (7.24, 3.88, 68.07 ppm): 4 chemical-shift based assignments, quality = 0.66, support = 0.671, residual support = 3.23: HN HIS 122 - HB THR 118 25.000% * 37.2043% (0.84 0.57 3.43) = 37.204% kept HH2 TRP 87 - HB THR 118 25.000% * 32.9152% (0.73 0.58 0.13) = 32.915% kept QE PHE 59 - HB THR 118 25.000% * 17.6701% (0.16 1.37 6.40) = 17.670% kept HN PHE 59 - HB THR 118 25.000% * 12.2103% (0.67 0.23 6.40) = 12.210% kept Peak 3283 (8.18, 3.88, 68.07 ppm): 3 chemical-shift based assignments, quality = 0.948, support = 2.01, residual support = 17.3: O HN THR 118 - HB THR 118 33.333% * 94.9980% (0.96 10.0 2.08 18.17) = 94.998% kept HN PHE 60 - HB THR 118 33.333% * 2.7338% (0.96 1.0 0.58 0.02) = 2.734% kept HN GLN 116 - HB THR 118 33.333% * 2.2682% (0.61 1.0 0.75 0.86) = 2.268% kept 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 3285 (0.95, 3.69, 67.42 ppm): 3 chemical-shift based assignments, quality = 0.715, support = 4.42, residual support = 55.3: T QG2 ILE 119 - HA THR 118 33.333% * 98.9441% (0.72 10.00 4.47 55.89) = 98.944% kept QD2 LEU 71 - HA THR 118 33.333% * 0.9844% (0.38 1.00 0.38 0.02) = 0.984% QD1 ILE 103 - HA THR 118 33.333% * 0.0715% (0.52 1.00 0.02 0.02) = 0.071% Peak 3286 (1.10, 3.69, 67.42 ppm): 3 chemical-shift based assignments, quality = 0.628, support = 0.726, residual support = 0.75: QG1 VAL 24 - HA THR 118 33.333% * 43.7864% (0.65 0.83 0.89) = 43.786% kept HD3 LYS+ 112 - HA THR 118 33.333% * 34.8197% (0.52 0.83 0.90) = 34.820% kept QG1 VAL 107 - HA THR 118 33.333% * 21.3939% (0.75 0.35 0.22) = 21.394% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3287 (1.50, 3.69, 67.42 ppm): 5 chemical-shift based assignments, quality = 0.752, support = 1.64, residual support = 2.77: HD2 LYS+ 121 - HA THR 118 20.000% * 85.3104% (0.77 1.89 3.24) = 85.310% kept QG2 THR 26 - HA THR 118 20.000% * 12.7011% (0.77 0.28 0.02) = 12.701% kept HG2 LYS+ 65 - HA THR 118 20.000% * 0.9232% (0.78 0.02 0.02) = 0.923% HB2 LYS+ 74 - HA THR 118 20.000% * 0.6158% (0.52 0.02 0.02) = 0.616% QD LYS+ 66 - HA THR 118 20.000% * 0.4494% (0.38 0.02 0.02) = 0.449% Peak 3288 (2.05, 3.69, 67.42 ppm): 7 chemical-shift based assignments, quality = 0.422, support = 4.65, residual support = 54.3: T HB ILE 119 - HA THR 118 14.286% * 97.0761% (0.43 10.00 4.78 55.89) = 97.076% kept HB VAL 108 - HA THR 118 14.286% * 1.0684% (0.69 1.00 0.14 0.02) = 1.068% kept HG3 GLN 30 - HA THR 118 14.286% * 0.8186% (0.13 1.00 0.56 0.71) = 0.819% HB2 GLN 30 - HA THR 118 14.286% * 0.6337% (0.43 1.00 0.13 0.71) = 0.634% HB2 ARG+ 54 - HA THR 118 14.286% * 0.1699% (0.75 1.00 0.02 0.02) = 0.170% HB2 PRO 93 - HA THR 118 14.286% * 0.1569% (0.69 1.00 0.02 0.02) = 0.157% HB3 GLU- 100 - HA THR 118 14.286% * 0.0764% (0.34 1.00 0.02 0.02) = 0.076% Peak 3289 (2.28, 3.69, 67.42 ppm): 7 chemical-shift based assignments, quality = 0.143, support = 5.94, residual support = 51.9: T HG12 ILE 119 - HA THR 118 14.286% * 92.8646% (0.13 10.00 6.39 55.89) = 92.865% kept QG GLN 90 - HA THR 118 14.286% * 4.8597% (0.47 1.00 0.28 0.02) = 4.860% kept QG GLU- 15 - HA THR 118 14.286% * 0.5534% (0.77 1.00 0.02 0.02) = 0.553% HB2 ASP- 44 - HA THR 118 14.286% * 0.4983% (0.69 1.00 0.02 0.02) = 0.498% QG GLU- 14 - HA THR 118 14.286% * 0.4716% (0.65 1.00 0.02 0.02) = 0.472% HB3 PHE 72 - HA THR 118 14.286% * 0.4100% (0.57 1.00 0.02 0.02) = 0.410% QB MET 11 - HA THR 118 14.286% * 0.3425% (0.47 1.00 0.02 0.02) = 0.342% Peak 3290 (3.89, 3.69, 67.42 ppm): 1 chemical-shift based assignment, quality = 0.475, support = 3.73, residual support = 18.2: O HB THR 118 - HA THR 118 100.000% *100.0000% (0.47 10.0 3.73 18.17) = 100.000% kept Peak 3291 (7.19, 3.69, 67.42 ppm): 4 chemical-shift based assignments, quality = 0.696, support = 1.05, residual support = 2.82: QD PHE 59 - HA THR 118 25.000% * 37.7439% (0.69 1.22 6.40) = 37.744% kept HD1 TRP 27 - HA THR 118 25.000% * 35.0429% (0.69 1.13 0.64) = 35.043% kept HE21 GLN 30 - HA THR 118 25.000% * 25.3070% (0.72 0.78 0.71) = 25.307% kept HH2 TRP 49 - HA THR 118 25.000% * 1.9062% (0.52 0.08 0.13) = 1.906% kept Peak 3292 (7.48, 3.69, 67.42 ppm): 2 chemical-shift based assignments, quality = 0.171, support = 0.272, residual support = 0.136: HN LEU 123 - HA THR 118 50.000% * 55.8674% (0.18 0.28 0.14) = 55.867% kept HZ2 TRP 49 - HA THR 118 50.000% * 44.1326% (0.15 0.26 0.13) = 44.133% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3293 (7.93, 3.69, 67.42 ppm): 3 chemical-shift based assignments, quality = 0.226, support = 5.17, residual support = 54.9: O HN ILE 119 - HA THR 118 33.333% * 98.2888% (0.22 10.0 5.26 55.89) = 98.289% kept HN CYS 21 - HA THR 118 33.333% * 1.6130% (0.72 1.0 0.10 0.02) = 1.613% kept HN LYS+ 33 - HA THR 118 33.333% * 0.0983% (0.22 1.0 0.02 0.02) = 0.098% Peak 3294 (8.20, 3.69, 67.42 ppm): 3 chemical-shift based assignments, quality = 0.227, support = 2.65, residual support = 17.6: O HN THR 118 - HA THR 118 33.333% * 96.7649% (0.22 10.0 2.73 18.17) = 96.765% kept HN PHE 60 - HA THR 118 33.333% * 1.8560% (0.47 1.0 0.18 0.02) = 1.856% kept HN GLU- 15 - HA THR 118 33.333% * 1.3791% (0.57 1.0 0.11 0.02) = 1.379% kept Peak 3295 (3.70, 3.88, 68.07 ppm): 4 chemical-shift based assignments, quality = 0.229, support = 3.97, residual support = 48.8: HA ILE 119 - HB THR 118 25.000% * 87.3497% (0.24 4.45 55.89) = 87.350% kept HD3 PRO 58 - HB THR 118 25.000% * 11.4676% (0.20 0.70 0.02) = 11.468% kept HA VAL 75 - HB THR 118 25.000% * 0.9090% (0.55 0.02 0.02) = 0.909% HB2 TRP 49 - HB THR 118 25.000% * 0.2738% (0.16 0.02 0.13) = 0.274% Peak 3296 (1.11, 0.24, 20.84 ppm): 5 chemical-shift based assignments, quality = 0.471, support = 2.77, residual support = 26.4: HG13 ILE 119 - QG2 THR 118 20.000% * 46.5211% (0.34 4.73 55.89) = 46.521% kept HD3 LYS+ 112 - QG2 THR 118 20.000% * 22.8036% (0.72 1.08 0.90) = 22.804% kept QG1 VAL 24 - QG2 THR 118 20.000% * 19.8933% (0.61 1.11 0.89) = 19.893% kept QG1 VAL 107 - QG2 THR 118 20.000% * 7.8359% (0.22 1.23 0.22) = 7.836% kept HB3 LEU 31 - QG2 THR 118 20.000% * 2.9462% (0.38 0.26 0.02) = 2.946% kept Peak 3297 (1.88, 0.24, 20.84 ppm): 8 chemical-shift based assignments, quality = 0.416, support = 0.36, residual support = 0.383: HB3 PRO 58 - QG2 THR 118 12.500% * 32.8727% (0.34 0.39 0.02) = 32.873% kept QB LYS+ 106 - QG2 THR 118 12.500% * 32.7408% (0.22 0.61 0.65) = 32.741% kept HB3 GLN 30 - QG2 THR 118 12.500% * 22.7471% (0.72 0.13 0.71) = 22.747% kept HB3 LYS+ 38 - QG2 THR 118 12.500% * 3.8555% (0.78 0.02 0.02) = 3.855% kept HB ILE 56 - QG2 THR 118 12.500% * 3.4195% (0.69 0.02 0.02) = 3.419% kept HB2 MET 92 - QG2 THR 118 12.500% * 2.8137% (0.57 0.02 0.02) = 2.814% kept QB LYS+ 81 - QG2 THR 118 12.500% * 0.9135% (0.18 0.02 0.02) = 0.913% HB3 GLN 90 - QG2 THR 118 12.500% * 0.6373% (0.13 0.02 0.02) = 0.637% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3298 (2.25, 0.24, 20.84 ppm): 6 chemical-shift based assignments, quality = 0.481, support = 3.39, residual support = 32.4: HG12 ILE 119 - QG2 THR 118 16.667% * 57.5566% (0.61 1.00 5.35 55.89) = 57.557% kept T HB2 ASP- 105 - QG2 THR 118 16.667% * 32.4071% (0.22 10.00 0.85 0.85) = 32.407% kept HG3 MET 92 - QG2 THR 118 16.667% * 4.5875% (0.65 1.00 0.40 0.02) = 4.587% kept HB2 GLU- 29 - QG2 THR 118 16.667% * 3.4737% (0.75 1.00 0.26 0.02) = 3.474% kept QG GLN 90 - QG2 THR 118 16.667% * 1.0754% (0.22 1.00 0.28 0.02) = 1.075% kept HB3 PHE 72 - QG2 THR 118 16.667% * 0.8997% (0.15 1.00 0.33 0.02) = 0.900% Peak 3299 (3.70, 0.24, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.183, support = 4.29, residual support = 54.1: T HA ILE 119 - QG2 THR 118 25.000% * 96.8798% (0.18 10.00 4.40 55.89) = 96.880% kept HD3 PRO 58 - QG2 THR 118 25.000% * 2.8282% (0.15 1.00 0.70 0.02) = 2.828% kept HA VAL 75 - QG2 THR 118 25.000% * 0.2244% (0.43 1.00 0.02 0.02) = 0.224% HB2 TRP 49 - QG2 THR 118 25.000% * 0.0676% (0.13 1.00 0.02 0.13) = 0.068% Peak 3300 (3.89, 0.24, 20.84 ppm): 1 chemical-shift based assignment, quality = 0.475, support = 2.88, residual support = 18.2: O T HB THR 118 - QG2 THR 118 100.000% *100.0000% (0.47 10.0 10.00 2.88 18.17) = 100.000% kept Peak 3301 (6.83, 0.24, 20.84 ppm): 3 chemical-shift based assignments, quality = 0.78, support = 0.867, residual support = 3.36: HD2 HIS 122 - QG2 THR 118 33.333% * 97.5204% (0.78 0.89 3.43) = 97.520% kept HE22 GLN 116 - QG2 THR 118 33.333% * 2.1827% (0.78 0.02 0.86) = 2.183% kept HE22 GLN 17 - QG2 THR 118 33.333% * 0.2969% (0.11 0.02 0.02) = 0.297% Peak 3302 (7.19, 0.24, 20.84 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 2.66, residual support = 3.59: QD PHE 59 - QG2 THR 118 25.000% * 51.3804% (0.69 3.80 6.40) = 51.380% kept HE21 GLN 30 - QG2 THR 118 25.000% * 23.0589% (0.72 1.63 0.71) = 23.059% kept HD1 TRP 27 - QG2 THR 118 25.000% * 20.2521% (0.69 1.50 0.64) = 20.252% kept HH2 TRP 49 - QG2 THR 118 25.000% * 5.3087% (0.52 0.52 0.13) = 5.309% kept Peak 3303 (0.25, 3.69, 66.88 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 4.4, residual support = 55.9: T QG2 THR 118 - HA ILE 119 100.000% *100.0000% (0.28 10.00 4.40 55.89) = 100.000% kept Peak 3304 (1.49, 3.69, 66.88 ppm): 7 chemical-shift based assignments, quality = 0.273, support = 3.22, residual support = 14.4: HD2 LYS+ 121 - HA ILE 119 14.286% * 48.3991% (0.32 2.77 4.20) = 48.399% kept QB ALA 120 - HA ILE 119 14.286% * 40.3853% (0.16 4.57 30.57) = 40.385% kept QG2 THR 26 - HA ILE 119 14.286% * 9.1226% (0.55 0.31 0.02) = 9.123% kept HB2 LYS+ 74 - HA ILE 119 14.286% * 0.9925% (0.92 0.02 0.02) = 0.993% HB3 LEU 40 - HA ILE 119 14.286% * 0.4619% (0.43 0.02 0.02) = 0.462% HG2 LYS+ 65 - HA ILE 119 14.286% * 0.4619% (0.43 0.02 0.02) = 0.462% HG LEU 115 - HA ILE 119 14.286% * 0.1768% (0.16 0.02 0.70) = 0.177% Peak 3305 (7.19, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.89, support = 1.71, residual support = 3.03: QD PHE 59 - HA ILE 119 25.000% * 38.2631% (0.88 1.98 5.99) = 38.263% kept HD1 TRP 27 - HA ILE 119 25.000% * 34.5638% (0.88 1.79 1.58) = 34.564% kept HE21 GLN 30 - HA ILE 119 25.000% * 25.9592% (0.92 1.28 0.75) = 25.959% kept HH2 TRP 49 - HA ILE 119 25.000% * 1.2139% (0.67 0.08 0.02) = 1.214% kept Peak 3306 (7.92, 3.69, 66.88 ppm): 4 chemical-shift based assignments, quality = 0.916, support = 6.88, residual support = 189.8: O HN ILE 119 - HA ILE 119 25.000% * 89.1520% (0.96 10.0 7.49 212.54) = 89.152% kept HN ILE 89 - HA ILE 119 25.000% * 6.6525% (0.67 1.0 2.14 4.52) = 6.652% kept HN SER 37 - HA ILE 119 25.000% * 2.9283% (0.38 1.0 1.67 1.95) = 2.928% kept HN CYS 21 - HA ILE 119 25.000% * 1.2672% (0.67 1.0 0.41 0.02) = 1.267% kept Peak 3307 (7.45, 3.69, 66.88 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 1.26, residual support = 1.08: HN ALA 124 - HA ILE 119 33.333% * 40.6969% (0.96 1.36 1.60) = 40.697% kept HE21 GLN 17 - HA ILE 119 33.333% * 37.5522% (1.00 1.20 1.05) = 37.552% kept HN LEU 123 - HA ILE 119 33.333% * 21.7509% (0.61 1.15 0.16) = 21.751% kept Peak 3308 (4.02, 2.03, 38.31 ppm): 7 chemical-shift based assignments, quality = 0.609, support = 1.16, residual support = 6.04: HA GLN 116 - HB ILE 119 14.286% * 62.6440% (0.67 1.50 8.14) = 62.644% kept HA VAL 70 - HB ILE 119 14.286% * 22.7738% (0.67 0.55 3.06) = 22.774% kept HB2 SER 37 - HB ILE 119 14.286% * 12.6147% (0.27 0.74 1.95) = 12.615% kept HA VAL 18 - HB ILE 119 14.286% * 1.1267% (0.17 0.11 0.02) = 1.127% kept HA LYS+ 33 - HB ILE 119 14.286% * 0.4404% (0.35 0.02 0.02) = 0.440% HA GLU- 29 - HB ILE 119 14.286% * 0.2516% (0.20 0.02 0.02) = 0.252% HB2 SER 82 - HB ILE 119 14.286% * 0.1488% (0.12 0.02 0.02) = 0.149% Peak 3309 (7.44, 2.03, 38.31 ppm): 3 chemical-shift based assignments, quality = 0.309, support = 3.26, residual support = 16.8: HN ALA 120 - HB ILE 119 33.333% * 52.8046% (0.24 4.93 30.57) = 52.805% kept HN ALA 124 - HB ILE 119 33.333% * 29.0286% (0.44 1.45 1.60) = 29.029% kept HE21 GLN 17 - HB ILE 119 33.333% * 18.1669% (0.31 1.28 1.05) = 18.167% kept Peak 3310 (7.92, 2.03, 38.31 ppm): 4 chemical-shift based assignments, quality = 0.658, support = 6.97, residual support = 185.5: O HN ILE 119 - HB ILE 119 25.000% * 87.0915% (0.69 10.0 7.67 212.54) = 87.091% kept HN ILE 89 - HB ILE 119 25.000% * 7.1201% (0.48 1.0 2.34 4.52) = 7.120% kept HN SER 37 - HB ILE 119 25.000% * 4.4951% (0.27 1.0 2.63 1.95) = 4.495% kept HN CYS 21 - HB ILE 119 25.000% * 1.2933% (0.48 1.0 0.43 0.02) = 1.293% kept Peak 3311 (3.97, 0.96, 17.56 ppm): 7 chemical-shift based assignments, quality = 0.325, support = 2.9, residual support = 24.8: HA ALA 120 - QG2 ILE 119 14.286% * 80.9712% (0.28 3.54 30.57) = 80.971% kept HA2 GLY 16 - QG2 ILE 119 14.286% * 7.6601% (0.78 0.12 0.02) = 7.660% kept HA ALA 88 - QG2 ILE 119 14.286% * 7.2673% (0.24 0.37 0.02) = 7.267% kept HA LYS+ 65 - QG2 ILE 119 14.286% * 1.4540% (0.88 0.02 0.02) = 1.454% kept QB SER 85 - QG2 ILE 119 14.286% * 1.2896% (0.78 0.02 0.02) = 1.290% kept HD2 PRO 52 - QG2 ILE 119 14.286% * 0.8997% (0.55 0.02 0.02) = 0.900% HA GLN 32 - QG2 ILE 119 14.286% * 0.4581% (0.28 0.02 0.02) = 0.458% Peak 3312 (7.44, 0.96, 17.56 ppm): 3 chemical-shift based assignments, quality = 0.43, support = 3.57, residual support = 16.4: HN ALA 120 - QG2 ILE 119 33.333% * 51.4423% (0.32 5.41 30.57) = 51.442% kept HN ALA 124 - QG2 ILE 119 33.333% * 30.5365% (0.61 1.72 1.60) = 30.537% kept HE21 GLN 17 - QG2 ILE 119 33.333% * 18.0212% (0.43 1.43 1.05) = 18.021% kept Peak 3313 (7.91, 0.96, 17.56 ppm): 3 chemical-shift based assignments, quality = 0.755, support = 5.44, residual support = 122.3: HN ILE 119 - QG2 ILE 119 33.333% * 56.7906% (0.61 7.98 212.54) = 56.791% kept HN ILE 89 - QG2 ILE 119 33.333% * 27.5019% (0.92 2.54 4.52) = 27.502% kept HN SER 37 - QG2 ILE 119 33.333% * 15.7075% (1.00 1.35 1.95) = 15.707% kept Peak 3314 (0.60, 2.26, 30.83 ppm): 6 chemical-shift based assignments, quality = 0.825, support = 1.01, residual support = 1.23: QD1 LEU 104 - HG12 ILE 119 16.667% * 48.1171% (1.00 1.26 1.84) = 48.117% kept QG1 VAL 83 - HG12 ILE 119 16.667% * 22.1770% (0.49 1.19 1.00) = 22.177% kept QD2 LEU 115 - HG12 ILE 119 16.667% * 16.7703% (0.78 0.56 0.70) = 16.770% kept QD2 LEU 80 - HG12 ILE 119 16.667% * 12.5098% (0.84 0.39 0.02) = 12.510% kept QD1 LEU 63 - HG12 ILE 119 16.667% * 0.2129% (0.28 0.02 0.02) = 0.213% QD1 LEU 73 - HG12 ILE 119 16.667% * 0.2129% (0.28 0.02 0.02) = 0.213% Peak 3315 (0.60, 1.12, 30.83 ppm): 6 chemical-shift based assignments, quality = 0.82, support = 1.16, residual support = 1.15: QD1 LEU 104 - HG13 ILE 119 16.667% * 41.0635% (1.00 1.32 1.84) = 41.064% kept QD2 LEU 115 - HG13 ILE 119 16.667% * 28.6812% (0.78 1.18 0.70) = 28.681% kept QG1 VAL 83 - HG13 ILE 119 16.667% * 18.7401% (0.49 1.24 1.00) = 18.740% kept QD2 LEU 80 - HG13 ILE 119 16.667% * 11.1692% (0.84 0.43 0.02) = 11.169% kept QD1 LEU 63 - HG13 ILE 119 16.667% * 0.1730% (0.28 0.02 0.02) = 0.173% QD1 LEU 73 - HG13 ILE 119 16.667% * 0.1730% (0.28 0.02 0.02) = 0.173% Peak 3316 (0.17, 1.12, 30.83 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 0.75, residual support = 3.06: QG2 VAL 70 - HG13 ILE 119 100.000% *100.0000% (0.43 0.75 3.06) = 100.000% kept Peak 3317 (7.19, 1.12, 30.83 ppm): 4 chemical-shift based assignments, quality = 0.88, support = 2.05, residual support = 3.44: QD PHE 59 - HG13 ILE 119 25.000% * 47.9816% (0.88 2.87 5.99) = 47.982% kept HD1 TRP 27 - HG13 ILE 119 25.000% * 25.5489% (0.88 1.53 1.58) = 25.549% kept HE21 GLN 30 - HG13 ILE 119 25.000% * 21.1930% (0.92 1.21 0.75) = 21.193% kept HH2 TRP 49 - HG13 ILE 119 25.000% * 5.2764% (0.67 0.42 0.02) = 5.276% kept Peak 3318 (7.91, 1.12, 30.83 ppm): 3 chemical-shift based assignments, quality = 0.754, support = 4.59, residual support = 124.0: HN ILE 119 - HG13 ILE 119 33.333% * 57.6780% (0.61 6.78 212.54) = 57.678% kept HN ILE 89 - HG13 ILE 119 33.333% * 23.4944% (0.92 1.82 4.52) = 23.494% kept HN SER 37 - HG13 ILE 119 33.333% * 18.8276% (1.00 1.35 1.95) = 18.828% kept Peak 3319 (7.20, 2.26, 30.83 ppm): 3 chemical-shift based assignments, quality = 0.627, support = 2.58, residual support = 4.21: QD PHE 59 - HG12 ILE 119 33.333% * 61.2319% (0.67 3.22 5.99) = 61.232% kept HD1 TRP 27 - HG12 ILE 119 33.333% * 30.1476% (0.67 1.58 1.58) = 30.148% kept HE21 GLN 30 - HG12 ILE 119 33.333% * 8.6205% (0.20 1.53 0.75) = 8.620% kept Peak 3320 (7.91, 2.26, 30.83 ppm): 3 chemical-shift based assignments, quality = 0.756, support = 5.1, residual support = 122.2: HN ILE 119 - HG12 ILE 119 33.333% * 56.7788% (0.61 7.52 212.54) = 56.779% kept HN ILE 89 - HG12 ILE 119 33.333% * 26.2602% (0.92 2.28 4.52) = 26.260% kept HN SER 37 - HG12 ILE 119 33.333% * 16.9610% (1.00 1.37 1.95) = 16.961% kept Peak 3321 (0.17, 1.02, 16.06 ppm): 1 chemical-shift based assignment, quality = 0.397, support = 1.85, residual support = 3.06: QG2 VAL 70 - QD1 ILE 119 100.000% *100.0000% (0.40 1.85 3.06) = 100.000% kept Peak 3322 (0.61, 1.02, 16.06 ppm): 4 chemical-shift based assignments, quality = 0.463, support = 1.24, residual support = 1.73: T QD1 LEU 104 - QD1 ILE 119 25.000% * 82.6469% (0.40 10.00 1.31 1.84) = 82.647% kept QG1 VAL 83 - QD1 ILE 119 25.000% * 13.9861% (0.92 1.00 0.96 1.00) = 13.986% kept QD2 LEU 80 - QD1 ILE 119 25.000% * 1.9863% (0.15 1.00 0.82 0.02) = 1.986% kept QG2 ILE 89 - QD1 ILE 119 25.000% * 1.3806% (0.26 1.00 0.34 4.52) = 1.381% kept Peak 3323 (4.03, 1.02, 16.06 ppm): 4 chemical-shift based assignments, quality = 0.321, support = 2.37, residual support = 6.87: T HA GLN 116 - QD1 ILE 119 25.000% * 78.3472% (0.22 10.00 2.72 8.14) = 78.347% kept HB2 SER 37 - QD1 ILE 119 25.000% * 14.8049% (0.92 1.00 0.90 1.95) = 14.805% kept HA VAL 70 - QD1 ILE 119 25.000% * 6.6463% (0.22 1.00 1.70 3.06) = 6.646% kept HA1 GLY 16 - QD1 ILE 119 25.000% * 0.2016% (0.56 1.00 0.02 0.02) = 0.202% Peak 3324 (6.72, 1.02, 16.06 ppm): 1 chemical-shift based assignment, quality = 0.905, support = 0.845, residual support = 1.75: T HZ PHE 72 - QD1 ILE 119 100.000% *100.0000% (0.90 10.00 0.84 1.75) = 100.000% kept Peak 3325 (7.00, 1.02, 16.06 ppm): 3 chemical-shift based assignments, quality = 0.52, support = 0.587, residual support = 1.1: QE PHE 72 - QD1 ILE 119 33.333% * 62.2813% (0.30 0.84 1.75) = 62.281% kept HN ALA 47 - QD1 ILE 119 33.333% * 36.8199% (0.90 0.17 0.02) = 36.820% kept QD PHE 95 - QD1 ILE 119 33.333% * 0.8988% (0.18 0.02 0.02) = 0.899% Peak 3326 (7.23, 1.02, 16.06 ppm): 2 chemical-shift based assignments, quality = 0.771, support = 0.512, residual support = 2.2: HH2 TRP 87 - QD1 ILE 119 50.000% * 52.7703% (0.81 0.51 0.59) = 52.770% kept HN HIS 122 - QD1 ILE 119 50.000% * 47.2297% (0.72 0.51 4.00) = 47.230% kept Peak 3327 (7.92, 1.02, 16.06 ppm): 4 chemical-shift based assignments, quality = 0.778, support = 5.39, residual support = 153.8: HN ILE 119 - QD1 ILE 119 25.000% * 71.9622% (0.88 6.72 212.54) = 71.962% kept HN ILE 89 - QD1 ILE 119 25.000% * 13.8963% (0.62 1.86 4.52) = 13.896% kept HN SER 37 - QD1 ILE 119 25.000% * 10.8916% (0.35 2.59 1.95) = 10.892% kept HN CYS 21 - QD1 ILE 119 25.000% * 3.2498% (0.62 0.44 0.02) = 3.250% kept Peak 3328 (0.88, 3.95, 55.35 ppm): 6 chemical-shift based assignments, quality = 0.228, support = 3.28, residual support = 8.39: T QD1 LEU 123 - HA ALA 120 16.667% * 82.6618% (0.16 10.00 3.83 10.14) = 82.662% kept QG1 VAL 18 - HA ALA 120 16.667% * 12.7583% (0.61 1.00 0.84 0.02) = 12.758% kept QG1 VAL 70 - HA ALA 120 16.667% * 2.9098% (0.43 1.00 0.27 0.02) = 2.910% kept QD1 LEU 71 - HA ALA 120 16.667% * 1.0711% (0.16 1.00 0.26 0.02) = 1.071% kept HB3 LEU 63 - HA ALA 120 16.667% * 0.4805% (0.96 1.00 0.02 0.02) = 0.480% QG1 VAL 108 - HA ALA 120 16.667% * 0.1185% (0.24 1.00 0.02 0.02) = 0.118% Peak 3329 (7.45, 3.95, 55.35 ppm): 3 chemical-shift based assignments, quality = 0.836, support = 2.8, residual support = 4.55: HN ALA 124 - HA ALA 120 33.333% * 45.1591% (0.96 2.82 1.59) = 45.159% kept HN LEU 123 - HA ALA 120 33.333% * 36.7325% (0.61 3.61 10.14) = 36.732% kept HE21 GLN 17 - HA ALA 120 33.333% * 18.1084% (1.00 1.08 0.61) = 18.108% kept Peak 3331 (7.49, 3.94, 58.66 ppm): 2 chemical-shift based assignments, quality = 0.164, support = 6.5, residual support = 274.6: O HN LYS+ 121 - HA LYS+ 121 50.000% * 99.4663% (0.16 10.0 6.54 276.12) = 99.466% kept HZ2 TRP 49 - HA LYS+ 121 50.000% * 0.5337% (0.88 1.0 0.02 0.48) = 0.534% Peak 3332 (3.69, 1.66, 32.89 ppm): 5 chemical-shift based assignments, quality = 0.829, support = 2.35, residual support = 3.21: HA ILE 119 - HB2 LYS+ 121 20.000% * 47.9260% (0.92 2.75 4.20) = 47.926% kept HA THR 118 - HB2 LYS+ 121 20.000% * 35.0076% (0.73 2.56 3.24) = 35.008% kept HB2 TRP 49 - HB2 LYS+ 121 20.000% * 13.8940% (0.84 0.88 0.48) = 13.894% kept HA ALA 84 - HB2 LYS+ 121 20.000% * 3.0675% (0.55 0.30 0.02) = 3.067% kept HA2 GLY 109 - HB2 LYS+ 121 20.000% * 0.1049% (0.28 0.02 0.02) = 0.105% Peak 3333 (3.69, 1.52, 32.89 ppm): 5 chemical-shift based assignments, quality = 0.549, support = 1.97, residual support = 3.16: HA ILE 119 - HB3 LYS+ 121 20.000% * 46.2648% (0.62 2.29 4.20) = 46.265% kept HA THR 118 - HB3 LYS+ 121 20.000% * 35.5791% (0.48 2.24 3.24) = 35.579% kept HB2 TRP 49 - HB3 LYS+ 121 20.000% * 13.4514% (0.56 0.74 0.48) = 13.451% kept HA ALA 84 - HB3 LYS+ 121 20.000% * 4.5829% (0.36 0.38 0.02) = 4.583% kept HA2 GLY 109 - HB3 LYS+ 121 20.000% * 0.1218% (0.19 0.02 0.02) = 0.122% Peak 3334 (7.51, 1.52, 32.89 ppm): 1 chemical-shift based assignment, quality = 0.522, support = 6.17, residual support = 276.1: O HN LYS+ 121 - HB3 LYS+ 121 100.000% *100.0000% (0.52 10.0 6.17 276.12) = 100.000% kept Peak 3335 (7.23, 1.52, 32.89 ppm): 2 chemical-shift based assignments, quality = 0.527, support = 3.65, residual support = 32.8: HN HIS 122 - HB3 LYS+ 121 50.000% * 92.2132% (0.52 3.94 35.57) = 92.213% kept HH2 TRP 87 - HB3 LYS+ 121 50.000% * 7.7868% (0.59 0.29 0.20) = 7.787% kept Peak 3336 (7.21, 1.66, 32.89 ppm): 2 chemical-shift based assignments, quality = 0.146, support = 4.7, residual support = 29.6: HN HIS 122 - HB2 LYS+ 121 50.000% * 83.2123% (0.14 5.50 35.57) = 83.212% kept HH2 TRP 87 - HB2 LYS+ 121 50.000% * 16.7877% (0.20 0.76 0.20) = 16.788% kept Peak 3337 (7.50, 1.66, 32.89 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 6.04, residual support = 275.9: O HN LYS+ 121 - HB2 LYS+ 121 50.000% * 99.9131% (0.84 10.0 6.04 276.12) = 99.913% kept HZ2 TRP 49 - HB2 LYS+ 121 50.000% * 0.0869% (0.73 1.0 0.02 0.48) = 0.087% Peak 3340 (0.94, 3.45, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.199, support = 0.02, residual support = 2.55: QG2 ILE 119 - HB2 HIS 122 50.000% * 63.5295% (0.24 0.02 4.00) = 63.529% kept QD2 LEU 67 - HB2 HIS 122 50.000% * 36.4705% (0.14 0.02 0.02) = 36.471% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3341 (0.61, 3.45, 31.73 ppm): 4 chemical-shift based assignments, quality = 0.685, support = 0.02, residual support = 0.224: QG1 VAL 83 - HB2 HIS 122 25.000% * 53.2924% (1.00 0.02 0.02) = 53.292% kept QD1 LEU 104 - HB2 HIS 122 25.000% * 23.0069% (0.43 0.02 0.91) = 23.007% kept QG2 ILE 89 - HB2 HIS 122 25.000% * 14.8915% (0.28 0.02 0.02) = 14.892% kept QD2 LEU 80 - HB2 HIS 122 25.000% * 8.8092% (0.16 0.02 0.02) = 8.809% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3342 (6.83, 3.45, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 2.72, residual support = 48.5: O HD2 HIS 122 - HB2 HIS 122 33.333% * 99.8871% (1.00 10.0 2.72 48.56) = 99.887% kept HE22 GLN 116 - HB2 HIS 122 33.333% * 0.0994% (1.00 1.0 0.02 0.02) = 0.099% HE22 GLN 17 - HB2 HIS 122 33.333% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% Peak 3343 (7.21, 3.45, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.136, support = 3.9, residual support = 47.9: O HN HIS 122 - HB2 HIS 122 50.000% * 98.6804% (0.14 10.0 3.95 48.56) = 98.680% kept HH2 TRP 87 - HB2 HIS 122 50.000% * 1.3196% (0.20 1.0 0.18 0.02) = 1.320% kept Peak 3344 (6.83, 2.76, 31.73 ppm): 3 chemical-shift based assignments, quality = 0.999, support = 3.53, residual support = 48.5: O HD2 HIS 122 - HB3 HIS 122 33.333% * 99.8871% (1.00 10.0 3.54 48.56) = 99.887% kept HE22 GLN 116 - HB3 HIS 122 33.333% * 0.0994% (1.00 1.0 0.02 0.02) = 0.099% HE22 GLN 17 - HB3 HIS 122 33.333% * 0.0135% (0.14 1.0 0.02 0.02) = 0.014% Peak 3345 (7.23, 2.76, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.784, support = 4.75, residual support = 47.9: O HN HIS 122 - HB3 HIS 122 50.000% * 98.6992% (0.78 10.0 4.81 48.56) = 98.699% kept HH2 TRP 87 - HB3 HIS 122 50.000% * 1.3008% (0.88 1.0 0.23 0.02) = 1.301% kept Peak 3346 (0.94, 2.76, 31.73 ppm): 2 chemical-shift based assignments, quality = 0.199, support = 0.02, residual support = 2.55: QG2 ILE 119 - HB3 HIS 122 50.000% * 63.5295% (0.24 0.02 4.00) = 63.529% kept QD2 LEU 67 - HB3 HIS 122 50.000% * 36.4705% (0.14 0.02 0.02) = 36.471% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 3347 (3.95, 1.85, 26.16 ppm): 8 chemical-shift based assignments, quality = 0.349, support = 1.61, residual support = 4.25: HA ALA 120 - HG LEU 123 12.500% * 37.1609% (0.42 2.36 10.14) = 37.161% kept QB SER 85 - HG LEU 123 12.500% * 15.6419% (0.34 1.25 0.87) = 15.642% kept HA2 GLY 16 - HG LEU 123 12.500% * 15.6419% (0.34 1.25 0.93) = 15.642% kept QB SER 48 - HG LEU 123 12.500% * 13.2856% (0.31 1.14 0.18) = 13.286% kept HA LYS+ 65 - HG LEU 123 12.500% * 12.7583% (0.29 1.19 0.74) = 12.758% kept HA LYS+ 121 - HG LEU 123 12.500% * 5.2324% (0.18 0.76 1.45) = 5.232% kept HB THR 94 - HG LEU 123 12.500% * 0.1751% (0.23 0.02 0.02) = 0.175% HA2 GLY 51 - HG LEU 123 12.500% * 0.1041% (0.14 0.02 0.02) = 0.104% Peak 3348 (7.48, 1.85, 26.16 ppm): 2 chemical-shift based assignments, quality = 0.1, support = 5.36, residual support = 172.6: HN LEU 123 - HG LEU 123 50.000% * 94.4583% (0.10 5.65 182.76) = 94.458% kept HZ2 TRP 49 - HG LEU 123 50.000% * 5.5417% (0.09 0.40 0.11) = 5.542% kept Peak 3349 (3.95, 1.63, 43.16 ppm): 8 chemical-shift based assignments, quality = 0.817, support = 1.62, residual support = 4.44: HA ALA 120 - HB3 LEU 123 12.500% * 38.8592% (0.98 2.40 10.14) = 38.859% kept QB SER 85 - HB3 LEU 123 12.500% * 16.5076% (0.78 1.27 0.87) = 16.508% kept HA2 GLY 16 - HB3 LEU 123 12.500% * 16.5076% (0.78 1.27 0.93) = 16.508% kept HA LYS+ 65 - HB3 LEU 123 12.500% * 13.4573% (0.67 1.22 0.74) = 13.457% kept QB SER 48 - HB3 LEU 123 12.500% * 8.7385% (0.73 0.73 0.18) = 8.738% kept HA LYS+ 121 - HB3 LEU 123 12.500% * 5.6416% (0.43 0.79 1.45) = 5.642% kept HB THR 94 - HB3 LEU 123 12.500% * 0.1807% (0.55 0.02 0.02) = 0.181% HA2 GLY 51 - HB3 LEU 123 12.500% * 0.1074% (0.32 0.02 0.02) = 0.107% Peak 3350 (7.46, 1.63, 43.16 ppm): 3 chemical-shift based assignments, quality = 0.915, support = 5.58, residual support = 172.4: O HN LEU 123 - HB3 LEU 123 33.333% * 93.9574% (0.96 10.0 5.66 182.76) = 93.957% kept HN ALA 124 - HB3 LEU 123 33.333% * 6.0003% (0.28 1.0 4.39 11.02) = 6.000% kept HE21 GLN 17 - HB3 LEU 123 33.333% * 0.0422% (0.43 1.0 0.02 0.02) = 0.042% Peak 3351 (3.95, 1.68, 43.16 ppm): 8 chemical-shift based assignments, quality = 0.817, support = 1.94, residual support = 4.51: HA ALA 120 - HB2 LEU 123 12.500% * 39.5035% (0.98 2.85 10.14) = 39.503% kept HA2 GLY 16 - HB2 LEU 123 12.500% * 19.1812% (0.78 1.73 0.93) = 19.181% kept QB SER 85 - HB2 LEU 123 12.500% * 14.6839% (0.78 1.33 0.87) = 14.684% kept HA LYS+ 65 - HB2 LEU 123 12.500% * 11.9503% (0.67 1.27 0.74) = 11.950% kept QB SER 48 - HB2 LEU 123 12.500% * 7.8903% (0.73 0.77 0.18) = 7.890% kept HA LYS+ 121 - HB2 LEU 123 12.500% * 6.5449% (0.43 1.08 1.45) = 6.545% kept HB THR 94 - HB2 LEU 123 12.500% * 0.1543% (0.55 0.02 0.02) = 0.154% HA2 GLY 51 - HB2 LEU 123 12.500% * 0.0917% (0.32 0.02 0.02) = 0.092% Peak 3352 (7.46, 1.68, 43.16 ppm): 3 chemical-shift based assignments, quality = 0.919, support = 5.98, residual support = 173.4: O HN LEU 123 - HB2 LEU 123 33.333% * 94.5278% (0.96 10.0 6.10 182.76) = 94.528% kept HN ALA 124 - HB2 LEU 123 33.333% * 5.4297% (0.28 1.0 3.95 11.02) = 5.430% kept HE21 GLN 17 - HB2 LEU 123 33.333% * 0.0425% (0.43 1.0 0.02 0.02) = 0.042% Peak 3353 (3.97, 0.86, 26.01 ppm): 7 chemical-shift based assignments, quality = 0.459, support = 2.92, residual support = 6.99: T HA ALA 120 - QD1 LEU 123 14.286% * 66.0955% (0.28 10.00 3.83 10.14) = 66.095% kept HA LYS+ 65 - QD1 LEU 123 14.286% * 11.4292% (0.88 1.00 1.09 0.74) = 11.429% kept QB SER 85 - QD1 LEU 123 14.286% * 11.1117% (0.78 1.00 1.19 0.87) = 11.112% kept HA2 GLY 16 - QD1 LEU 123 14.286% * 11.1117% (0.78 1.00 1.19 0.93) = 11.112% kept HD2 PRO 52 - QD1 LEU 123 14.286% * 0.1298% (0.55 1.00 0.02 0.02) = 0.130% HA GLN 32 - QD1 LEU 123 14.286% * 0.0661% (0.28 1.00 0.02 0.02) = 0.066% HA ALA 88 - QD1 LEU 123 14.286% * 0.0560% (0.24 1.00 0.02 0.02) = 0.056% Peak 3354 (7.46, 1.35, 20.20 ppm): 3 chemical-shift based assignments, quality = 0.507, support = 1.94, residual support = 8.73: O HN ALA 124 - QB ALA 124 33.333% * 65.9993% (0.28 10.0 1.66 7.57) = 65.999% kept HN LEU 123 - QB ALA 124 33.333% * 33.8779% (0.96 1.0 2.48 11.02) = 33.878% kept HE21 GLN 17 - QB ALA 124 33.333% * 0.1228% (0.43 1.0 0.02 0.02) = 0.123% Peak 3355 (7.45, 4.11, 54.16 ppm): 3 chemical-shift based assignments, quality = 0.924, support = 1.73, residual support = 7.87: O HN ALA 124 - HA ALA 124 33.333% * 91.0853% (0.96 10.0 1.66 7.57) = 91.085% kept HN LEU 123 - HA ALA 124 33.333% * 8.8000% (0.61 1.0 2.53 11.02) = 8.800% kept HE21 GLN 17 - HA ALA 124 33.333% * 0.1148% (1.00 1.0 0.02 0.02) = 0.115% Peak 3356 (7.45, 4.38, 55.67 ppm): 3 chemical-shift based assignments, quality = 0.82, support = 4.69, residual support = 77.6: O HN ALA 124 - HA LEU 123 33.333% * 61.1436% (0.96 10.0 3.83 11.02) = 61.144% kept O HN LEU 123 - HA LEU 123 33.333% * 38.7924% (0.61 10.0 6.04 182.76) = 38.792% kept HE21 GLN 17 - HA LEU 123 33.333% * 0.0640% (1.00 1.0 0.02 0.02) = 0.064% Peak 3357 (9.01, 4.38, 55.67 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.541, residual support = 0.541: HN VAL 41 - HA LEU 123 100.000% *100.0000% (0.28 0.54 0.54) = 100.000% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3358 (8.63, 4.60, 54.68 ppm): 3 chemical-shift based assignments, quality = 0.437, support = 4.63, residual support = 16.8: O HN ILE 103 - HA LYS+ 102 33.333% * 97.3414% (0.43 10.0 4.75 17.31) = 97.341% kept HN GLN 90 - HA LYS+ 102 33.333% * 2.5613% (0.73 1.0 0.31 0.02) = 2.561% kept HN SER 82 - HA LYS+ 102 33.333% * 0.0973% (0.43 1.0 0.02 0.02) = 0.097% Peak 3359 (9.88, 4.95, 63.38 ppm): 1 chemical-shift based assignment, quality = 0.487, support = 2.8, residual support = 11.0: O HN PHE 95 - HA THR 94 100.000% *100.0000% (0.49 10.0 2.80 10.96) = 100.000% kept Peak 3360 (8.08, 1.41, 40.36 ppm): 3 chemical-shift based assignments, quality = 0.99, support = 5.2, residual support = 48.4: O HN LEU 80 - HB2 LEU 80 33.333% * 94.1766% (1.00 10.0 5.44 51.41) = 94.177% kept HN ALA 34 - HB2 LEU 80 33.333% * 5.7399% (0.92 1.0 1.31 0.11) = 5.740% kept HN CYS 53 - HB2 LEU 80 33.333% * 0.0835% (0.88 1.0 0.02 0.02) = 0.084% Peak 3361 (8.08, 1.34, 40.36 ppm): 3 chemical-shift based assignments, quality = 0.987, support = 4.81, residual support = 48.3: O HN LEU 80 - HB3 LEU 80 33.333% * 93.8891% (1.00 10.0 5.04 51.41) = 93.889% kept HN ALA 34 - HB3 LEU 80 33.333% * 5.7224% (0.92 1.0 1.31 0.11) = 5.722% kept HN CYS 53 - HB3 LEU 80 33.333% * 0.3886% (0.88 1.0 0.09 0.02) = 0.389% Peak 3362 (4.81, 1.34, 40.36 ppm): 5 chemical-shift based assignments, quality = 0.949, support = 4.77, residual support = 50.3: O HA LEU 80 - HB3 LEU 80 20.000% * 97.8554% (0.96 10.0 4.86 51.41) = 97.855% kept HA THR 23 - HB3 LEU 80 20.000% * 1.7186% (0.78 1.0 0.43 0.15) = 1.719% kept HA ASP- 78 - HB3 LEU 80 20.000% * 0.3075% (0.32 1.0 0.19 3.09) = 0.308% HB THR 23 - HB3 LEU 80 20.000% * 0.0801% (0.78 1.0 0.02 0.15) = 0.080% HA ASP- 105 - HB3 LEU 80 20.000% * 0.0384% (0.38 1.0 0.02 0.02) = 0.038% 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): 5 chemical-shift based assignments, quality = 0.607, support = 1.22, residual support = 17.2: O QD2 LEU 80 - HB3 LEU 80 20.000% * 32.9136% (0.28 10.0 1.00 2.69 51.41) = 32.914% kept T QD1 LEU 63 - HB3 LEU 80 20.000% * 28.1128% (0.84 1.0 10.00 0.57 0.65) = 28.113% kept T QD1 LEU 73 - HB3 LEU 80 20.000% * 20.7889% (0.84 1.0 10.00 0.42 0.11) = 20.789% kept T QD2 LEU 63 - HB3 LEU 80 20.000% * 17.5720% (0.61 1.0 10.00 0.49 0.65) = 17.572% kept QD2 LEU 115 - HB3 LEU 80 20.000% * 0.6128% (0.32 1.0 1.00 0.32 0.11) = 0.613% Peak 3365 (4.81, 1.44, 26.98 ppm): 20 chemical-shift based assignments, quality = 0.355, support = 4.24, residual support = 50.2: O HA LEU 80 - HG LEU 80 5.000% * 97.6633% (0.36 10.0 4.34 51.41) = 97.663% kept HA THR 23 - HG LEU 80 5.000% * 1.7152% (0.29 1.0 0.43 0.15) = 1.715% kept HB THR 23 - HG LEU 80 5.000% * 0.0800% (0.29 1.0 0.02 0.15) = 0.080% HA LEU 80 - HG LEU 73 5.000% * 0.0623% (0.23 1.0 0.02 0.11) = 0.062% HA LEU 80 - HG LEU 40 5.000% * 0.0515% (0.19 1.0 0.02 0.02) = 0.051% HB THR 23 - HG LEU 73 5.000% * 0.0510% (0.19 1.0 0.02 0.02) = 0.051% HA THR 23 - HG LEU 73 5.000% * 0.0510% (0.19 1.0 0.02 0.02) = 0.051% HB THR 23 - HG LEU 40 5.000% * 0.0422% (0.15 1.0 0.02 0.14) = 0.042% HA THR 23 - HG LEU 40 5.000% * 0.0422% (0.15 1.0 0.02 0.14) = 0.042% HA ASP- 105 - HG LEU 80 5.000% * 0.0383% (0.14 1.0 0.02 0.02) = 0.038% HA ASP- 78 - HG LEU 80 5.000% * 0.0332% (0.12 1.0 0.02 3.09) = 0.033% HA LEU 80 - HG12 ILE 19 5.000% * 0.0257% (0.09 1.0 0.02 0.02) = 0.026% HA ASP- 105 - HG LEU 73 5.000% * 0.0245% (0.09 1.0 0.02 0.02) = 0.024% HA ASP- 78 - HG LEU 73 5.000% * 0.0212% (0.08 1.0 0.02 0.02) = 0.021% HB THR 23 - HG12 ILE 19 5.000% * 0.0210% (0.08 1.0 0.02 0.02) = 0.021% HA THR 23 - HG12 ILE 19 5.000% * 0.0210% (0.08 1.0 0.02 0.02) = 0.021% HA ASP- 105 - HG LEU 40 5.000% * 0.0202% (0.07 1.0 0.02 0.02) = 0.020% HA ASP- 78 - HG LEU 40 5.000% * 0.0175% (0.06 1.0 0.02 0.02) = 0.017% HA ASP- 105 - HG12 ILE 19 5.000% * 0.0101% (0.04 1.0 0.02 0.02) = 0.010% HA ASP- 78 - HG12 ILE 19 5.000% * 0.0087% (0.03 1.0 0.02 0.02) = 0.009% Peak 3367 (8.96, 1.44, 26.98 ppm): 12 chemical-shift based assignments, quality = 0.133, support = 2.58, residual support = 49.5: HN LEU 73 - HG LEU 73 8.333% * 42.6067% (0.13 4.26 112.60) = 42.607% kept HN LYS+ 106 - HG LEU 73 8.333% * 23.7144% (0.16 1.94 5.68) = 23.714% kept HN VAL 42 - HG LEU 40 8.333% * 12.3263% (0.11 1.49 0.82) = 12.326% kept HN VAL 42 - HG LEU 80 8.333% * 8.5717% (0.20 0.55 0.02) = 8.572% kept HN VAL 42 - HG12 ILE 19 8.333% * 4.0867% (0.05 0.99 0.02) = 4.087% kept HN LYS+ 106 - HG12 ILE 19 8.333% * 3.7772% (0.07 0.75 0.02) = 3.777% kept HN LEU 73 - HG12 ILE 19 8.333% * 2.0039% (0.05 0.49 5.10) = 2.004% kept HN LEU 73 - HG LEU 80 8.333% * 1.3051% (0.20 0.08 0.11) = 1.305% kept HN VAL 42 - HG LEU 73 8.333% * 0.8574% (0.13 0.09 1.06) = 0.857% HN LYS+ 106 - HG LEU 80 8.333% * 0.3832% (0.25 0.02 0.02) = 0.383% HN LYS+ 106 - HG LEU 40 8.333% * 0.2021% (0.13 0.02 0.02) = 0.202% HN LEU 73 - HG LEU 40 8.333% * 0.1654% (0.11 0.02 0.02) = 0.165% 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 = 0.555, support = 5.73, residual support = 132.6: O HA LYS+ 99 - HB3 LYS+ 99 11.111% * 91.8791% (0.55 10.0 1.00 6.19 144.19) = 91.879% kept HA ASN 35 - HB3 LYS+ 99 11.111% * 4.9385% (0.78 1.0 1.00 0.75 2.09) = 4.938% kept T HA ILE 56 - HB3 LYS+ 99 11.111% * 1.4054% (0.84 1.0 10.00 0.02 0.02) = 1.405% kept HA PRO 58 - HB3 LYS+ 99 11.111% * 1.2700% (0.20 1.0 1.00 0.76 0.02) = 1.270% kept T HA ASP- 113 - HB3 LYS+ 99 11.111% * 0.2277% (0.14 1.0 10.00 0.02 0.02) = 0.228% HA LEU 123 - HB3 LYS+ 99 11.111% * 0.1609% (0.96 1.0 1.00 0.02 0.02) = 0.161% HA LEU 40 - HB3 LYS+ 99 11.111% * 0.0631% (0.38 1.0 1.00 0.02 5.03) = 0.063% HA GLU- 15 - HB3 LYS+ 99 11.111% * 0.0277% (0.16 1.0 1.00 0.02 0.02) = 0.028% HA SER 13 - HB3 LYS+ 99 11.111% * 0.0277% (0.16 1.0 1.00 0.02 0.02) = 0.028% Peak 3373 (8.35, 1.72, 37.34 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 0.987, residual support = 2.09: HN ASN 35 - HB3 LYS+ 99 100.000% *100.0000% (0.67 0.99 2.09) = 100.000% kept Peak 3375 (0.62, 1.72, 37.34 ppm): 2 chemical-shift based assignments, quality = 0.697, support = 0.494, residual support = 0.391: QG1 VAL 83 - HB3 LYS+ 99 50.000% * 51.4034% (0.73 0.49 0.64) = 51.403% kept QG2 ILE 89 - HB3 LYS+ 99 50.000% * 48.5966% (0.67 0.50 0.12) = 48.597% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 3376 (1.00, 1.72, 37.34 ppm): 5 chemical-shift based assignments, quality = 0.557, support = 1.42, residual support = 3.42: QD2 LEU 40 - HB3 LYS+ 99 20.000% * 67.0577% (0.55 1.95 5.03) = 67.058% kept HB VAL 75 - HB3 LYS+ 99 20.000% * 12.6414% (0.88 0.23 0.02) = 12.641% kept QG2 ILE 103 - HB3 LYS+ 99 20.000% * 11.1258% (0.32 0.54 0.36) = 11.126% kept QD1 LEU 67 - HB3 LYS+ 99 20.000% * 8.9253% (0.49 0.29 0.02) = 8.925% kept HG3 LYS+ 74 - HB3 LYS+ 99 20.000% * 0.2498% (0.20 0.02 0.02) = 0.250% Peak 3377 (1.32, 1.72, 37.34 ppm): 7 chemical-shift based assignments, quality = 0.918, support = 5.14, residual support = 139.1: O HG2 LYS+ 99 - HB3 LYS+ 99 14.286% * 96.4516% (0.92 10.0 5.32 144.19) = 96.452% kept QB ALA 88 - HB3 LYS+ 99 14.286% * 2.3982% (0.73 1.0 0.63 0.02) = 2.398% kept HG2 LYS+ 38 - HB3 LYS+ 99 14.286% * 1.0029% (1.00 1.0 0.19 0.60) = 1.003% kept HG2 LYS+ 111 - HB3 LYS+ 99 14.286% * 0.0571% (0.55 1.0 0.02 0.02) = 0.057% HB2 LEU 31 - HB3 LYS+ 99 14.286% * 0.0449% (0.43 1.0 0.02 0.02) = 0.045% HB3 LEU 80 - HB3 LYS+ 99 14.286% * 0.0246% (0.24 1.0 0.02 0.40) = 0.025% QG2 THR 77 - HB3 LYS+ 99 14.286% * 0.0207% (0.20 1.0 0.02 0.11) = 0.021% Peak 3378 (1.77, 4.38, 58.15 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 6.97, residual support = 143.9: O T HB2 LYS+ 99 - HA LYS+ 99 25.000% * 99.7845% (0.98 10.0 10.00 6.98 144.19) = 99.785% kept QD LYS+ 81 - HA LYS+ 99 25.000% * 0.0973% (0.96 1.0 1.00 0.02 0.02) = 0.097% HB VAL 43 - HA LYS+ 99 25.000% * 0.0898% (0.88 1.0 1.00 0.02 0.02) = 0.090% HB3 GLN 17 - HA LYS+ 99 25.000% * 0.0283% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 3379 (1.72, 1.24, 26.01 ppm): 3 chemical-shift based assignments, quality = 0.979, support = 5.09, residual support = 144.0: O HB3 LYS+ 99 - HG3 LYS+ 99 33.333% * 99.8422% (0.98 10.0 5.10 144.19) = 99.842% kept QG1 ILE 56 - HG3 LYS+ 99 33.333% * 0.0899% (0.88 1.0 0.02 0.02) = 0.090% HB ILE 89 - HG3 LYS+ 99 33.333% * 0.0679% (0.67 1.0 0.02 0.12) = 0.068% Peak 3380 (1.77, 1.24, 26.01 ppm): 4 chemical-shift based assignments, quality = 0.978, support = 5.99, residual support = 143.9: O T HB2 LYS+ 99 - HG3 LYS+ 99 25.000% * 99.7845% (0.98 10.0 10.00 6.00 144.19) = 99.785% kept QD LYS+ 81 - HG3 LYS+ 99 25.000% * 0.0973% (0.96 1.0 1.00 0.02 0.02) = 0.097% HB VAL 43 - HG3 LYS+ 99 25.000% * 0.0898% (0.88 1.0 1.00 0.02 0.02) = 0.090% HB3 GLN 17 - HG3 LYS+ 99 25.000% * 0.0283% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 3381 (4.01, 2.50, 34.75 ppm): 7 chemical-shift based assignments, quality = 0.997, support = 4.54, residual support = 86.9: * O HA GLN 116 - HG3 GLN 116 14.286% * 99.6845% (1.00 10.0 4.55 87.15) = 99.684% kept HA VAL 70 - HG3 GLN 116 14.286% * 0.0997% (1.00 1.0 0.02 0.02) = 0.100% HA LYS+ 33 - HG3 GLN 116 14.286% * 0.0724% (0.73 1.0 0.02 0.02) = 0.072% HA GLU- 29 - HG3 GLN 116 14.286% * 0.0485% (0.49 1.0 0.02 0.02) = 0.049% HA VAL 18 - HG3 GLN 116 14.286% * 0.0428% (0.43 1.0 0.02 0.02) = 0.043% HB2 SER 82 - HG3 GLN 116 14.286% * 0.0324% (0.32 1.0 0.02 0.02) = 0.032% HB2 SER 37 - HG3 GLN 116 14.286% * 0.0197% (0.20 1.0 0.02 0.02) = 0.020% Peak 3382 (2.37, 2.50, 34.75 ppm): 5 chemical-shift based assignments, quality = 0.951, support = 4.51, residual support = 84.0: O HB2 GLN 116 - HG3 GLN 116 20.000% * 96.3685% (0.96 10.0 4.66 87.15) = 96.368% kept HB2 GLU- 100 - HG3 GLN 116 20.000% * 2.9398% (1.00 1.0 0.58 0.02) = 2.940% kept HB3 PHE 97 - HG3 GLN 116 20.000% * 0.6471% (0.78 1.0 0.16 0.02) = 0.647% QG GLU- 79 - HG3 GLN 116 20.000% * 0.0280% (0.28 1.0 0.02 0.02) = 0.028% HB2 PRO 58 - HG3 GLN 116 20.000% * 0.0166% (0.16 1.0 0.02 0.02) = 0.017% Peak 3383 (0.60, 2.50, 34.75 ppm): 6 chemical-shift based assignments, quality = 0.824, support = 3.81, residual support = 42.8: QD2 LEU 115 - HG3 GLN 116 16.667% * 74.0502% (0.92 4.75 57.37) = 74.050% kept QD1 LEU 63 - HG3 GLN 116 16.667% * 10.7876% (0.43 1.49 2.06) = 10.788% kept QD1 LEU 73 - HG3 GLN 116 16.667% * 9.4094% (0.43 1.30 1.53) = 9.409% kept QD2 LEU 80 - HG3 GLN 116 16.667% * 4.1584% (0.96 0.26 0.02) = 4.158% kept QD1 LEU 104 - HG3 GLN 116 16.667% * 1.4848% (0.96 0.09 0.02) = 1.485% kept QG1 VAL 83 - HG3 GLN 116 16.667% * 0.1096% (0.32 0.02 0.02) = 0.110% Peak 3384 (2.55, 2.50, 34.75 ppm): 2 chemical-shift based assignments, quality = 0.954, support = 4.54, residual support = 84.4: O HG2 GLN 116 - HG3 GLN 116 50.000% * 96.8404% (0.96 10.0 4.67 87.15) = 96.840% kept HB3 PHE 95 - HG3 GLN 116 50.000% * 3.1596% (0.88 1.0 0.71 0.02) = 3.160% 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): 3 chemical-shift based assignments, quality = 0.435, support = 3.86, residual support = 85.9: O HE21 GLN 116 - HG3 GLN 116 33.333% * 98.5767% (0.43 10.0 3.92 87.15) = 98.577% kept HE21 GLN 90 - HG3 GLN 116 33.333% * 1.2980% (0.92 1.0 0.12 0.02) = 1.298% kept HN ALA 57 - HG3 GLN 116 33.333% * 0.1253% (0.55 1.0 0.02 0.02) = 0.125% Peak 3387 (8.19, 2.50, 34.75 ppm): 4 chemical-shift based assignments, quality = 0.595, support = 4.28, residual support = 55.6: HN GLN 116 - HG3 GLN 116 25.000% * 63.4893% (0.43 6.16 87.15) = 63.489% kept HN THR 118 - HG3 GLN 116 25.000% * 25.1940% (0.84 1.26 0.86) = 25.194% kept HN PHE 60 - HG3 GLN 116 25.000% * 11.2216% (1.00 0.47 0.02) = 11.222% kept HN GLU- 15 - HG3 GLN 116 25.000% * 0.0950% (0.20 0.02 0.02) = 0.095% Peak 3388 (1.33, 1.24, 26.01 ppm): 8 chemical-shift based assignments, quality = 0.983, support = 5.67, residual support = 139.5: O HG2 LYS+ 99 - HG3 LYS+ 99 12.500% * 96.7717% (1.00 10.0 5.85 144.19) = 96.772% kept HG2 LYS+ 38 - HG3 LYS+ 99 12.500% * 1.4971% (0.92 1.0 0.33 0.60) = 1.497% kept QB ALA 88 - HG3 LYS+ 99 12.500% * 1.4812% (0.43 1.0 0.71 0.02) = 1.481% kept HG2 LYS+ 111 - HG3 LYS+ 99 12.500% * 0.0812% (0.84 1.0 0.02 0.02) = 0.081% HB2 LEU 31 - HG3 LYS+ 99 12.500% * 0.0706% (0.73 1.0 0.02 0.02) = 0.071% HB3 LEU 80 - HG3 LYS+ 99 12.500% * 0.0473% (0.49 1.0 0.02 0.40) = 0.047% HB2 LEU 63 - HG3 LYS+ 99 12.500% * 0.0316% (0.32 1.0 0.02 0.02) = 0.032% HB3 ASP- 44 - HG3 LYS+ 99 12.500% * 0.0192% (0.20 1.0 0.02 0.02) = 0.019% Peaks: selected : 2700 with diagonal assignment : 460 without assignment possibility : 33 with one assignment possibility : 225 with multiple assignment possibilities : 1982 with given assignment possibilities : 0 with unique volume contribution : 927 with multiple volume contributions : 1280 eliminated by violation filter : 0 Peaks: selected : 2700 without assignment : 175 with assignment : 2525 with unique assignment : 1258 with multiple assignment : 1267 with reference assignment : 1605 with identical reference assignment : 956 with compatible reference assignment : 646 with incompatible reference assignment : 3 with additional reference assignment : 0 with additional assignment : 920 Atoms with eliminated volume contribution > 2.5: HA ALA 20 3.0 QB ALA 20 2.6 HA HIS 22 3.0 QD2 LEU 40 4.7 QG2 VAL 41 4.0 QD PHE 45 4.0 HN GLU- 79 2.9 QG LYS+ 81 2.7 QB ALA 84 3.0 QG2 ILE 89 3.4 HB VAL 107 2.7 QG2 VAL 107 3.1 QE LYS+ 112 2.5 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): 1 diagonal assignment: * HZ2 TRP 87 - HZ2 TRP 87 (1.00) 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 (0.54) 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): 5 chemical-shift based assignments, quality = 0.723, support = 3.56, residual support = 55.1: T HA PHE 60 - QD PHE 60 20.000% * 91.9256% (0.73 10.00 3.86 59.96) = 91.926% kept T QB SER 117 - QD PHE 60 20.000% * 7.1231% (0.78 10.00 0.14 0.02) = 7.123% kept HA LYS+ 121 - QD PHE 60 20.000% * 0.8788% (0.28 1.00 0.50 0.43) = 0.879% HA2 GLY 51 - QD PHE 60 20.000% * 0.0475% (0.38 1.00 0.02 0.02) = 0.048% HB THR 94 - QD PHE 60 20.000% * 0.0251% (0.20 1.00 0.02 0.02) = 0.025% 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): 4 chemical-shift based assignments, quality = 0.415, support = 1.34, residual support = 62.6: O HE3 TRP 87 - HZ3 TRP 87 25.000% * 87.4375% (0.43 10.0 1.21 62.78) = 87.437% kept HN TRP 87 - HZ3 TRP 87 25.000% * 12.2862% (0.32 1.0 2.26 62.78) = 12.286% kept HN GLN 17 - HZ3 TRP 87 25.000% * 0.1831% (0.55 1.0 0.02 0.02) = 0.183% HD21 ASN 69 - HZ3 TRP 87 25.000% * 0.0932% (0.28 1.0 0.02 0.02) = 0.093% 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 = 0.956, support = 0.75, residual support = 1.5: HA PRO 68 - HE1 HIS 22 100.000% *100.0000% (0.96 0.75 1.50) = 100.000% kept Peak 47 (1.15, 8.58, 136.90 ppm): 4 chemical-shift based assignments, quality = 0.799, support = 0.649, residual support = 0.964: QG2 VAL 107 - HE1 HIS 22 25.000% * 35.8510% (0.88 0.59 0.47) = 35.851% kept QB ALA 20 - HE1 HIS 22 25.000% * 33.8799% (0.55 0.90 2.12) = 33.880% kept HG2 LYS+ 121 - HE1 HIS 22 25.000% * 29.9453% (1.00 0.44 0.26) = 29.945% kept HG13 ILE 103 - HE1 HIS 22 25.000% * 0.3238% (0.24 0.02 0.02) = 0.324% Peak 48 (8.78, 7.19, 127.61 ppm): 2 chemical-shift based assignments, quality = 0.979, support = 2.07, residual support = 1.79: HN GLU- 25 - HD1 TRP 27 50.000% * 94.0651% (0.98 2.19 1.91) = 94.065% kept HN ASP- 44 - HD1 TRP 27 50.000% * 5.9349% (0.96 0.14 0.02) = 5.935% kept Peak 49 (10.20, 7.19, 127.61 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 1.75, residual support = 89.7: O HE1 TRP 27 - HD1 TRP 27 100.000% *100.0000% (0.84 10.0 1.75 89.72) = 100.000% kept Peak 50 (6.35, 7.32, 120.14 ppm): 1 chemical-shift based assignment, quality = 0.767, support = 1.27, residual support = 89.7: O T HZ3 TRP 27 - HE3 TRP 27 100.000% *100.0000% (0.77 10.0 10.00 1.27 89.72) = 100.000% kept Peak 51 (4.49, 7.32, 120.14 ppm): 3 chemical-shift based assignments, quality = 0.896, support = 3.97, residual support = 88.8: HA TRP 27 - HE3 TRP 27 33.333% * 99.0272% (0.90 4.00 89.72) = 99.027% kept HA ALA 91 - HE3 TRP 27 33.333% * 0.5252% (0.96 0.02 0.02) = 0.525% HA VAL 107 - HE3 TRP 27 33.333% * 0.4476% (0.82 0.02 0.29) = 0.448% Peak 52 (3.02, 7.32, 120.14 ppm): 3 chemical-shift based assignments, quality = 0.899, support = 0.348, residual support = 0.548: QE LYS+ 102 - HE3 TRP 27 33.333% * 91.3835% (0.90 0.38 0.46) = 91.384% kept QE LYS+ 38 - HE3 TRP 27 33.333% * 5.1275% (0.96 0.02 2.52) = 5.127% kept QE LYS+ 99 - HE3 TRP 27 33.333% * 3.4890% (0.65 0.02 0.02) = 3.489% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 53 (0.76, 7.32, 120.14 ppm): 5 chemical-shift based assignments, quality = 0.906, support = 1.61, residual support = 1.66: QG1 VAL 43 - HE3 TRP 27 20.000% * 45.0824% (0.98 1.81 2.54) = 45.082% kept QG1 VAL 41 - HE3 TRP 27 20.000% * 38.4362% (0.87 1.75 1.25) = 38.436% kept QG2 VAL 18 - HE3 TRP 27 20.000% * 16.0502% (0.82 0.77 0.25) = 16.050% kept QG2 THR 46 - HE3 TRP 27 20.000% * 0.3326% (0.65 0.02 0.02) = 0.333% QD1 ILE 19 - HE3 TRP 27 20.000% * 0.0987% (0.19 0.02 0.02) = 0.099% Peak 54 (0.60, 7.32, 120.14 ppm): 4 chemical-shift based assignments, quality = 0.548, support = 3.49, residual support = 6.95: T QD2 LEU 80 - HE3 TRP 27 25.000% * 78.5378% (0.54 10.00 3.60 7.12) = 78.538% kept QD2 LEU 115 - HE3 TRP 27 25.000% * 14.5853% (0.48 1.00 4.17 8.39) = 14.585% kept QD1 LEU 104 - HE3 TRP 27 25.000% * 5.6795% (0.87 1.00 0.89 1.97) = 5.679% kept QG1 VAL 83 - HE3 TRP 27 25.000% * 1.1974% (0.77 1.00 0.21 2.40) = 1.197% kept Peak 55 (0.12, 7.32, 120.14 ppm): 2 chemical-shift based assignments, quality = 0.462, support = 1.14, residual support = 2.06: T QG2 VAL 75 - HE3 TRP 27 50.000% * 92.4957% (0.48 10.00 1.10 2.11) = 92.496% kept QG2 VAL 42 - HE3 TRP 27 50.000% * 7.5043% (0.27 1.00 1.57 1.39) = 7.504% kept Peak 56 (3.48, 7.36, 120.68 ppm): 2 chemical-shift based assignments, quality = 0.835, support = 2.62, residual support = 32.1: O T HB2 HIS 22 - HD2 HIS 22 50.000% * 99.9718% (0.84 10.0 10.00 2.62 32.09) = 99.972% kept HA LEU 63 - HD2 HIS 22 50.000% * 0.0282% (0.24 1.0 1.00 0.02 0.26) = 0.028% Peak 57 (3.25, 7.36, 120.68 ppm): 2 chemical-shift based assignments, quality = 0.164, support = 2.95, residual support = 32.0: O T HB3 HIS 22 - HD2 HIS 22 50.000% * 99.6326% (0.16 10.0 10.00 2.97 32.09) = 99.633% kept HD3 ARG+ 54 - HD2 HIS 22 50.000% * 0.3674% (0.61 1.0 1.00 0.02 0.02) = 0.367% Peak 58 (2.79, 7.36, 120.68 ppm): 4 chemical-shift based assignments, quality = 0.735, support = 0.76, residual support = 0.934: QB CYS 50 - HD2 HIS 22 25.000% * 89.1646% (0.78 0.83 1.04) = 89.165% kept HB3 ASN 69 - HD2 HIS 22 25.000% * 7.6580% (0.24 0.24 0.02) = 7.658% kept QE LYS+ 74 - HD2 HIS 22 25.000% * 2.2881% (0.84 0.02 0.02) = 2.288% kept HB3 ASP- 78 - HD2 HIS 22 25.000% * 0.8893% (0.32 0.02 0.02) = 0.889% Peak 59 (1.16, 7.36, 120.68 ppm): 3 chemical-shift based assignments, quality = 0.714, support = 0.365, residual support = 0.281: QG2 VAL 107 - HD2 HIS 22 33.333% * 46.2319% (0.73 0.44 0.47) = 46.232% kept HG13 ILE 103 - HD2 HIS 22 33.333% * 32.2549% (0.92 0.24 0.02) = 32.255% kept HG2 LYS+ 121 - HD2 HIS 22 33.333% * 21.5133% (0.38 0.39 0.26) = 21.513% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 60 (4.74, 7.36, 120.68 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 0.75, residual support = 1.5: HA PRO 68 - HD2 HIS 22 100.000% *100.0000% (0.28 0.75 1.50) = 100.000% kept Peak 61 (4.58, 7.36, 120.68 ppm): 5 chemical-shift based assignments, quality = 0.902, support = 2.11, residual support = 3.66: HA CYS 21 - HD2 HIS 22 20.000% * 55.9491% (0.88 2.93 5.77) = 55.949% kept HA CYS 50 - HD2 HIS 22 20.000% * 23.0522% (0.88 1.21 1.04) = 23.052% kept HA TRP 49 - HD2 HIS 22 20.000% * 20.4368% (1.00 0.94 0.94) = 20.437% kept HA1 GLY 109 - HD2 HIS 22 20.000% * 0.3995% (0.92 0.02 0.02) = 0.400% HA LYS+ 102 - HD2 HIS 22 20.000% * 0.1624% (0.38 0.02 0.02) = 0.162% Peak 62 (4.13, 7.19, 127.61 ppm): 7 chemical-shift based assignments, quality = 0.956, support = 2.1, residual support = 22.9: HA ASN 28 - HD1 TRP 27 14.286% * 66.5236% (1.00 2.63 30.81) = 66.524% kept HA LEU 115 - HD1 TRP 27 14.286% * 28.8763% (0.98 1.16 8.39) = 28.876% kept HA GLU- 114 - HD1 TRP 27 14.286% * 3.5362% (0.32 0.43 0.02) = 3.536% kept HA ALA 34 - HD1 TRP 27 14.286% * 0.4254% (0.84 0.02 0.02) = 0.425% HA1 GLY 101 - HD1 TRP 27 14.286% * 0.2781% (0.55 0.02 0.02) = 0.278% HA ARG+ 54 - HD1 TRP 27 14.286% * 0.2188% (0.43 0.02 0.02) = 0.219% HA ALA 124 - HD1 TRP 27 14.286% * 0.1416% (0.28 0.02 0.02) = 0.142% Peak 63 (3.77, 7.19, 127.61 ppm): 2 chemical-shift based assignments, quality = 0.927, support = 4.17, residual support = 14.1: HA VAL 24 - HD1 TRP 27 50.000% * 87.9230% (1.00 4.54 15.72) = 87.923% kept HA LYS+ 38 - HD1 TRP 27 50.000% * 12.0770% (0.43 1.45 2.52) = 12.077% kept Peak 64 (3.58, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.371, support = 2.97, residual support = 88.7: O T HB2 TRP 27 - HD1 TRP 27 33.333% * 98.9045% (0.38 10.0 10.00 3.00 89.72) = 98.905% kept HA THR 77 - HD1 TRP 27 33.333% * 0.9966% (0.88 1.0 1.00 0.09 0.02) = 0.997% HD2 PRO 93 - HD1 TRP 27 33.333% * 0.0989% (0.38 1.0 1.00 0.02 0.02) = 0.099% Peak 65 (2.98, 7.19, 127.61 ppm): 4 chemical-shift based assignments, quality = 0.495, support = 3.09, residual support = 87.7: O T HB3 TRP 27 - HD1 TRP 27 25.000% * 97.7939% (0.49 10.0 10.00 3.16 89.72) = 97.794% kept QE LYS+ 106 - HD1 TRP 27 25.000% * 1.9285% (1.00 1.0 1.00 0.19 0.02) = 1.929% kept HB3 PHE 60 - HD1 TRP 27 25.000% * 0.1678% (0.84 1.0 1.00 0.02 0.02) = 0.168% HB2 PHE 97 - HD1 TRP 27 25.000% * 0.1097% (0.55 1.0 1.00 0.02 0.02) = 0.110% Peak 66 (1.08, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.438, support = 1.2, residual support = 6.24: T QG1 VAL 107 - HD1 TRP 27 33.333% * 58.3660% (0.38 10.00 0.52 0.29) = 58.366% kept QG2 VAL 24 - HD1 TRP 27 33.333% * 37.8689% (0.55 1.00 2.33 15.72) = 37.869% kept HG LEU 63 - HD1 TRP 27 33.333% * 3.7651% (0.32 1.00 0.39 3.06) = 3.765% kept Peak 67 (0.60, 7.19, 127.61 ppm): 6 chemical-shift based assignments, quality = 0.689, support = 2.83, residual support = 5.81: QD2 LEU 115 - HD1 TRP 27 16.667% * 40.6602% (0.67 4.47 8.39) = 40.660% kept QD2 LEU 80 - HD1 TRP 27 16.667% * 21.3589% (0.73 2.16 7.12) = 21.359% kept QD1 LEU 104 - HD1 TRP 27 16.667% * 19.2564% (0.98 1.44 1.97) = 19.256% kept QG1 VAL 83 - HD1 TRP 27 16.667% * 8.9967% (0.61 1.09 2.40) = 8.997% kept QD1 LEU 63 - HD1 TRP 27 16.667% * 4.9093% (0.20 1.82 3.06) = 4.909% kept QD1 LEU 73 - HD1 TRP 27 16.667% * 4.8185% (0.20 1.79 2.75) = 4.818% kept Peak 68 (0.08, 7.19, 127.61 ppm): 3 chemical-shift based assignments, quality = 0.877, support = 0.883, residual support = 3.63: QG2 VAL 83 - HD1 TRP 27 33.333% * 70.0320% (1.00 1.06 2.40) = 70.032% kept QD2 LEU 31 - HD1 TRP 27 33.333% * 19.6142% (0.49 0.61 9.82) = 19.614% kept QD1 ILE 89 - HD1 TRP 27 33.333% * 10.3538% (0.78 0.20 0.16) = 10.354% kept Peak 69 (6.73, 6.31, 122.21 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 0.262, residual support = 0.262: HZ PHE 72 - HH2 TRP 27 100.000% *100.0000% (0.43 0.26 0.26) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 70 (6.75, 6.35, 121.95 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 1.93, residual support = 89.7: O HZ2 TRP 27 - HZ3 TRP 27 100.000% *100.0000% (0.84 10.0 1.93 89.72) = 100.000% kept Peak 71 (7.32, 6.35, 121.95 ppm): 4 chemical-shift based assignments, quality = 0.98, support = 1.26, residual support = 87.8: O HE3 TRP 27 - HZ3 TRP 27 25.000% * 97.8575% (1.00 10.0 1.27 89.72) = 97.857% kept HN THR 23 - HZ3 TRP 27 25.000% * 1.9364% (0.32 1.0 0.77 0.57) = 1.936% kept QD PHE 55 - HZ3 TRP 27 25.000% * 0.1480% (0.96 1.0 0.02 0.02) = 0.148% QE PHE 95 - HZ3 TRP 27 25.000% * 0.0581% (0.38 1.0 0.02 0.02) = 0.058% Peak 72 (0.76, 6.31, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.708, support = 1.02, residual support = 3.41: QG1 VAL 41 - HH2 TRP 27 16.667% * 34.1913% (1.00 0.94 1.25) = 34.191% kept QG1 VAL 43 - HH2 TRP 27 16.667% * 25.6800% (0.84 0.84 2.54) = 25.680% kept HG LEU 31 - HH2 TRP 27 16.667% * 21.8308% (0.38 1.59 9.82) = 21.831% kept QG2 VAL 18 - HH2 TRP 27 16.667% * 12.1832% (0.49 0.69 0.25) = 12.183% kept QD2 LEU 73 - HH2 TRP 27 16.667% * 5.8775% (0.20 0.81 2.75) = 5.877% kept QG2 THR 46 - HH2 TRP 27 16.667% * 0.2371% (0.32 0.02 0.02) = 0.237% Peak 73 (0.76, 6.35, 121.95 ppm): 6 chemical-shift based assignments, quality = 0.737, support = 1.13, residual support = 3.23: QG1 VAL 41 - HZ3 TRP 27 16.667% * 36.3243% (1.00 1.11 1.25) = 36.324% kept QG1 VAL 43 - HZ3 TRP 27 16.667% * 27.8832% (0.84 1.02 2.54) = 27.883% kept HG LEU 31 - HZ3 TRP 27 16.667% * 19.9273% (0.38 1.62 9.82) = 19.927% kept QG2 VAL 18 - HZ3 TRP 27 16.667% * 12.8340% (0.49 0.80 0.25) = 12.834% kept QD2 LEU 73 - HZ3 TRP 27 16.667% * 2.8184% (0.20 0.43 2.75) = 2.818% kept QG2 THR 46 - HZ3 TRP 27 16.667% * 0.2128% (0.32 0.02 0.02) = 0.213% Peak 74 (0.58, 6.35, 121.95 ppm): 5 chemical-shift based assignments, quality = 0.759, support = 1.3, residual support = 3.15: T QD1 LEU 63 - HZ3 TRP 27 20.000% * 56.8477% (0.78 10.00 1.50 3.06) = 56.848% kept T QD1 LEU 73 - HZ3 TRP 27 20.000% * 37.3520% (0.78 10.00 0.98 2.75) = 37.352% kept QD2 LEU 115 - HZ3 TRP 27 20.000% * 2.3239% (0.28 1.00 1.72 8.39) = 2.324% kept QD2 LEU 80 - HZ3 TRP 27 20.000% * 1.9197% (0.24 1.00 1.68 7.12) = 1.920% kept QD2 LEU 63 - HZ3 TRP 27 20.000% * 1.5567% (0.67 1.00 0.48 3.06) = 1.557% kept Peak 75 (0.08, 6.35, 121.95 ppm): 3 chemical-shift based assignments, quality = 0.58, support = 2.12, residual support = 9.09: T QD2 LEU 31 - HZ3 TRP 27 33.333% * 90.9312% (0.55 10.00 2.26 9.82) = 90.931% kept QG2 VAL 83 - HZ3 TRP 27 33.333% * 6.6360% (1.00 1.00 0.80 2.40) = 6.636% kept QD1 ILE 89 - HZ3 TRP 27 33.333% * 2.4328% (0.73 1.00 0.40 0.16) = 2.433% kept Peak 76 (0.08, 6.31, 122.21 ppm): 3 chemical-shift based assignments, quality = 0.721, support = 1.55, residual support = 6.1: QD2 LEU 31 - HH2 TRP 27 33.333% * 53.5659% (0.55 2.30 9.82) = 53.566% kept QG2 VAL 83 - HH2 TRP 27 33.333% * 33.9778% (1.00 0.80 2.40) = 33.978% kept QD1 ILE 89 - HH2 TRP 27 33.333% * 12.4563% (0.73 0.40 0.16) = 12.456% kept Peak 77 (0.58, 6.31, 122.21 ppm): 6 chemical-shift based assignments, quality = 0.776, support = 1.43, residual support = 4.62: QD1 LEU 73 - HH2 TRP 27 16.667% * 33.7214% (1.00 1.68 2.75) = 33.721% kept QD1 LEU 63 - HH2 TRP 27 16.667% * 20.4823% (1.00 1.02 3.06) = 20.482% kept QD2 LEU 80 - HH2 TRP 27 16.667% * 18.3633% (0.55 1.67 7.12) = 18.363% kept QD2 LEU 115 - HH2 TRP 27 16.667% * 18.1447% (0.61 1.49 8.39) = 18.145% kept QD2 LEU 63 - HH2 TRP 27 16.667% * 5.4609% (0.32 0.84 3.06) = 5.461% kept QD1 LEU 104 - HH2 TRP 27 16.667% * 3.8274% (0.24 0.81 1.97) = 3.827% kept Peak 78 (6.31, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 1.18, residual support = 89.7: O HH2 TRP 27 - HZ2 TRP 27 100.000% *100.0000% (0.98 10.0 1.18 89.72) = 100.000% kept Peak 79 (7.62, 6.75, 114.38 ppm): 3 chemical-shift based assignments, quality = 0.793, support = 1.79, residual support = 22.6: HD21 ASN 28 - HZ2 TRP 27 33.333% * 69.3414% (0.73 2.26 30.81) = 69.341% kept HZ2 TRP 87 - HZ2 TRP 27 33.333% * 30.2956% (0.96 0.75 3.96) = 30.296% kept QE PHE 60 - HZ2 TRP 27 33.333% * 0.3630% (0.43 0.02 0.02) = 0.363% Peak 80 (10.20, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 1.64, residual support = 89.7: O HE1 TRP 27 - HZ2 TRP 27 100.000% *100.0000% (0.78 10.0 1.64 89.72) = 100.000% kept Peak 81 (10.57, 6.75, 114.38 ppm): 1 chemical-shift based assignment, quality = 0.835, support = 1.05, residual support = 3.96: HE1 TRP 87 - HZ2 TRP 27 100.000% *100.0000% (0.84 1.05 3.96) = 100.000% kept Peak 82 (0.05, 6.75, 114.38 ppm): 2 chemical-shift based assignments, quality = 0.273, support = 2.27, residual support = 8.88: T QD2 LEU 31 - HZ2 TRP 27 50.000% * 87.0841% (0.20 10.00 2.49 9.82) = 87.084% kept QG2 VAL 43 - HZ2 TRP 27 50.000% * 12.9159% (0.78 1.00 0.75 2.54) = 12.916% kept Peak 83 (0.08, 6.86, 131.77 ppm): 3 chemical-shift based assignments, quality = 0.807, support = 1.71, residual support = 5.74: T QD1 ILE 89 - QD PHE 45 33.333% * 82.0347% (0.78 10.00 1.62 6.43) = 82.035% kept QG2 VAL 83 - QD PHE 45 33.333% * 15.0102% (1.00 1.00 2.32 2.96) = 15.010% kept QD2 LEU 31 - QD PHE 45 33.333% * 2.9551% (0.49 1.00 0.94 0.81) = 2.955% kept Peak 84 (0.09, 6.68, 130.18 ppm): 3 chemical-shift based assignments, quality = 0.897, support = 2.18, residual support = 4.55: QD1 ILE 89 - QE PHE 45 33.333% * 50.0622% (0.92 2.45 6.43) = 50.062% kept QG2 VAL 83 - QE PHE 45 33.333% * 43.2219% (0.96 2.05 2.96) = 43.222% kept QD2 LEU 31 - QE PHE 45 33.333% * 6.7158% (0.32 0.94 0.81) = 6.716% kept Peak 85 (0.44, 6.86, 131.77 ppm): 2 chemical-shift based assignments, quality = 0.994, support = 2.35, residual support = 9.43: T QG1 VAL 75 - QD PHE 45 50.000% * 98.0313% (1.00 10.00 2.39 9.62) = 98.031% kept QD1 LEU 115 - QD PHE 45 50.000% * 1.9687% (0.92 1.00 0.43 0.02) = 1.969% kept Peak 86 (1.00, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.962, support = 1.16, residual support = 9.38: T HB VAL 75 - QD PHE 45 25.000% * 97.1446% (0.98 10.00 1.17 9.62) = 97.145% kept QD2 LEU 40 - QD PHE 45 25.000% * 2.5307% (0.38 1.00 0.80 1.49) = 2.531% kept QG2 ILE 103 - QD PHE 45 25.000% * 0.2697% (0.20 1.00 0.16 0.02) = 0.270% QD1 LEU 67 - QD PHE 45 25.000% * 0.0550% (0.32 1.00 0.02 0.02) = 0.055% Peak 87 (1.32, 6.86, 131.77 ppm): 6 chemical-shift based assignments, quality = 0.547, support = 1.19, residual support = 2.31: T QG2 THR 77 - QD PHE 45 16.667% * 57.8367% (0.38 10.00 1.22 3.29) = 57.837% kept QB ALA 88 - QD PHE 45 16.667% * 16.6757% (0.92 1.00 1.43 1.37) = 16.676% kept HG2 LYS+ 99 - QD PHE 45 16.667% * 10.4573% (0.73 1.00 1.14 0.54) = 10.457% kept HG2 LYS+ 38 - QD PHE 45 16.667% * 9.5412% (0.88 1.00 0.86 0.59) = 9.541% kept HG2 LYS+ 111 - QD PHE 45 16.667% * 3.0832% (0.32 1.00 0.75 1.41) = 3.083% kept HB2 LEU 31 - QD PHE 45 16.667% * 2.4058% (0.24 1.00 0.81 0.81) = 2.406% kept Peak 88 (1.20, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.689, support = 0.675, residual support = 6.04: QG2 THR 94 - QD PHE 45 25.000% * 38.1449% (0.61 0.80 15.13) = 38.145% kept HB3 LYS+ 112 - QD PHE 45 25.000% * 35.3809% (0.55 0.82 0.45) = 35.381% kept HD2 LYS+ 112 - QD PHE 45 25.000% * 24.9299% (1.00 0.32 0.45) = 24.930% kept HB3 LEU 71 - QD PHE 45 25.000% * 1.5442% (0.98 0.02 0.02) = 1.544% kept Peak 89 (0.45, 6.68, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.751, support = 2.26, residual support = 8.58: QG1 VAL 75 - QE PHE 45 50.000% * 89.2133% (0.78 2.47 9.62) = 89.213% kept QD1 LEU 115 - QE PHE 45 50.000% * 10.7867% (0.49 0.48 0.02) = 10.787% kept Peak 90 (1.75, 6.68, 130.18 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 0.532, residual support = 6.43: HB ILE 89 - QE PHE 45 100.000% *100.0000% (0.32 0.53 6.43) = 100.000% kept Peak 91 (1.95, 6.68, 130.18 ppm): 4 chemical-shift based assignments, quality = 0.617, support = 0.563, residual support = 1.28: HB2 LEU 40 - QE PHE 45 25.000% * 84.6501% (0.67 0.63 1.49) = 84.650% kept HB3 MET 96 - QE PHE 45 25.000% * 10.2258% (0.16 0.31 0.17) = 10.226% kept HB3 ARG+ 54 - QE PHE 45 25.000% * 3.3839% (0.84 0.02 0.02) = 3.384% kept HB VAL 18 - QE PHE 45 25.000% * 1.7402% (0.43 0.02 0.02) = 1.740% kept Peak 92 (2.24, 6.68, 130.18 ppm): 6 chemical-shift based assignments, quality = 0.562, support = 0.845, residual support = 0.875: HB3 ASP- 76 - QE PHE 45 16.667% * 61.5620% (0.49 1.22 1.39) = 61.562% kept HB2 ASP- 105 - QE PHE 45 16.667% * 22.2736% (0.84 0.26 0.02) = 22.274% kept HG2 GLU- 100 - QE PHE 45 16.667% * 12.1277% (0.38 0.31 0.11) = 12.128% kept HG3 MET 92 - QE PHE 45 16.667% * 1.9193% (0.92 0.02 0.02) = 1.919% kept HB2 GLU- 29 - QE PHE 45 16.667% * 1.6273% (0.78 0.02 0.02) = 1.627% kept HG12 ILE 119 - QE PHE 45 16.667% * 0.4901% (0.24 0.02 0.02) = 0.490% Peak 93 (6.37, 6.68, 130.18 ppm): 2 chemical-shift based assignments, quality = 0.235, support = 0.998, residual support = 55.0: O T HZ PHE 45 - QE PHE 45 50.000% * 99.8181% (0.24 10.0 10.00 1.00 55.08) = 99.818% kept HZ3 TRP 27 - QE PHE 45 50.000% * 0.1819% (0.43 1.0 1.00 0.02 0.02) = 0.182% Peak 94 (6.84, 6.68, 130.18 ppm): 3 chemical-shift based assignments, quality = 0.399, support = 2.29, residual support = 51.6: O QD PHE 45 - QE PHE 45 33.333% * 93.6787% (0.38 10.0 2.43 55.08) = 93.679% kept HE22 GLN 116 - QE PHE 45 33.333% * 3.6611% (0.73 1.0 0.40 0.02) = 3.661% kept HD2 HIS 122 - QE PHE 45 33.333% * 2.6602% (0.78 1.0 0.27 0.02) = 2.660% kept Peak 95 (1.94, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.879, support = 1.19, residual support = 1.15: HB2 LEU 40 - QD PHE 45 25.000% * 75.2384% (1.00 1.41 1.49) = 75.238% kept HB3 MET 96 - QD PHE 45 25.000% * 16.6777% (0.61 0.52 0.17) = 16.678% kept HB3 ARG+ 54 - QD PHE 45 25.000% * 7.8734% (0.32 0.46 0.02) = 7.873% kept HB3 GLU- 14 - QD PHE 45 25.000% * 0.2105% (0.20 0.02 0.02) = 0.211% Peak 96 (2.22, 6.86, 131.77 ppm): 5 chemical-shift based assignments, quality = 0.793, support = 1.24, residual support = 0.76: HB3 ASP- 76 - QD PHE 45 20.000% * 50.6789% (0.84 1.79 1.39) = 50.679% kept HG2 GLU- 100 - QD PHE 45 20.000% * 19.9168% (0.92 0.64 0.11) = 19.917% kept HB2 MET 96 - QD PHE 45 20.000% * 17.9389% (0.73 0.73 0.17) = 17.939% kept HB2 ASP- 105 - QD PHE 45 20.000% * 11.3540% (0.49 0.69 0.02) = 11.354% kept HB VAL 70 - QD PHE 45 20.000% * 0.1114% (0.16 0.02 0.02) = 0.111% Peak 97 (2.43, 6.86, 131.77 ppm): 5 chemical-shift based assignments, quality = 0.61, support = 3.15, residual support = 50.3: O T HB3 PHE 45 - QD PHE 45 20.000% * 91.3462% (0.61 10.0 10.00 3.37 55.08) = 91.346% kept QE LYS+ 112 - QD PHE 45 20.000% * 4.4200% (0.61 1.0 1.00 0.97 0.45) = 4.420% kept HB3 ASP- 86 - QD PHE 45 20.000% * 4.0701% (0.73 1.0 1.00 0.74 0.02) = 4.070% kept HG2 GLU- 29 - QD PHE 45 20.000% * 0.1390% (0.92 1.0 1.00 0.02 0.02) = 0.139% HB3 ASP- 62 - QD PHE 45 20.000% * 0.0248% (0.16 1.0 1.00 0.02 0.02) = 0.025% Peak 98 (3.06, 6.86, 131.77 ppm): 3 chemical-shift based assignments, quality = 0.926, support = 2.98, residual support = 52.6: O T HB2 PHE 45 - QD PHE 45 33.333% * 95.3780% (0.92 10.0 10.00 3.08 55.08) = 95.378% kept QE LYS+ 111 - QD PHE 45 33.333% * 4.5976% (1.00 1.0 1.00 0.89 1.41) = 4.598% kept HB2 CYS 21 - QD PHE 45 33.333% * 0.0244% (0.24 1.0 1.00 0.02 0.02) = 0.024% Peak 99 (3.95, 6.86, 131.77 ppm): 8 chemical-shift based assignments, quality = 0.659, support = 1.49, residual support = 6.67: HB THR 94 - QD PHE 45 12.500% * 43.5584% (0.43 2.70 15.13) = 43.558% kept QB SER 85 - QD PHE 45 12.500% * 28.3060% (0.88 0.85 0.25) = 28.306% kept HA ALA 120 - QD PHE 45 12.500% * 8.7704% (0.92 0.25 0.02) = 8.770% kept HA2 GLY 16 - QD PHE 45 12.500% * 8.6059% (0.88 0.26 0.02) = 8.606% kept HA LYS+ 65 - QD PHE 45 12.500% * 7.0693% (0.78 0.24 0.02) = 7.069% kept HA LYS+ 121 - QD PHE 45 12.500% * 3.0577% (0.32 0.25 0.02) = 3.058% kept QB SER 48 - QD PHE 45 12.500% * 0.4554% (0.61 0.02 0.02) = 0.455% HA2 GLY 51 - QD PHE 45 12.500% * 0.1770% (0.24 0.02 0.02) = 0.177% Peak 100 (4.31, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.884, support = 0.0973, residual support = 0.02: HA ASP- 86 - QD PHE 45 25.000% * 57.0697% (0.96 0.13 0.02) = 57.070% kept HA LEU 104 - QD PHE 45 25.000% * 25.1193% (0.67 0.08 0.02) = 25.119% kept HA GLU- 14 - QD PHE 45 25.000% * 9.2393% (1.00 0.02 0.02) = 9.239% kept HA ALA 12 - QD PHE 45 25.000% * 8.5717% (0.92 0.02 0.02) = 8.572% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 101 (4.88, 6.86, 131.77 ppm): 2 chemical-shift based assignments, quality = 0.723, support = 0.241, residual support = 0.401: HA VAL 41 - QD PHE 45 50.000% * 70.3772% (0.61 0.31 0.56) = 70.377% kept HA HIS 122 - QD PHE 45 50.000% * 29.6228% (1.00 0.08 0.02) = 29.623% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 102 (8.76, 6.86, 131.77 ppm): 4 chemical-shift based assignments, quality = 0.229, support = 2.73, residual support = 24.0: HN PHE 45 - QD PHE 45 25.000% * 38.2535% (0.16 3.40 55.08) = 38.253% kept HN ASP- 44 - QD PHE 45 25.000% * 37.1213% (0.16 3.30 7.79) = 37.121% kept HN ALA 110 - QD PHE 45 25.000% * 24.3546% (0.43 0.83 0.19) = 24.355% kept HN GLU- 25 - QD PHE 45 25.000% * 0.2706% (0.20 0.02 0.02) = 0.271% Peak 103 (6.68, 6.38, 129.17 ppm): 2 chemical-shift based assignments, quality = 0.955, support = 0.999, residual support = 55.0: O T QE PHE 45 - HZ PHE 45 50.000% * 99.9241% (0.96 10.0 10.00 1.00 55.08) = 99.924% kept QD PHE 72 - HZ PHE 45 50.000% * 0.0759% (0.73 1.0 1.00 0.02 0.02) = 0.076% Peak 104 (6.61, 7.35, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.954, support = 3.64, residual support = 12.4: HN CYS 50 - HD1 TRP 49 50.000% * 99.8139% (0.96 3.64 12.38) = 99.814% kept HN VAL 83 - HD1 TRP 49 50.000% * 0.1861% (0.32 0.02 0.02) = 0.186% Peak 105 (11.09, 7.35, 128.88 ppm): 1 chemical-shift based assignment, quality = 0.667, support = 1.76, residual support = 69.8: O HE1 TRP 49 - HD1 TRP 49 100.000% *100.0000% (0.67 10.0 1.76 69.82) = 100.000% kept Peak 107 (7.16, 7.49, 115.54 ppm): 1 chemical-shift based assignment, quality = 0.135, support = 1.0, residual support = 69.8: O T HH2 TRP 49 - HZ2 TRP 49 100.000% *100.0000% (0.14 10.0 10.00 1.00 69.82) = 100.000% kept Peak 108 (11.08, 7.49, 115.54 ppm): 1 chemical-shift based assignment, quality = 0.236, support = 1.0, residual support = 69.8: O HE1 TRP 49 - HZ2 TRP 49 100.000% *100.0000% (0.24 10.0 1.00 69.82) = 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 = 69.8: O HZ2 TRP 49 - HH2 TRP 49 50.000% * 99.9250% (1.00 10.0 1.00 69.82) = 99.925% kept HN LYS+ 121 - HH2 TRP 49 50.000% * 0.0750% (0.38 1.0 0.02 0.48) = 0.075% Peak 110 (0.08, 6.38, 129.17 ppm): 3 chemical-shift based assignments, quality = 0.814, support = 1.1, residual support = 3.85: QG2 VAL 83 - HZ PHE 45 33.333% * 49.8602% (0.98 1.18 2.96) = 49.860% kept QD1 ILE 89 - HZ PHE 45 33.333% * 35.0310% (0.67 1.22 6.43) = 35.031% kept QD2 LEU 31 - HZ PHE 45 33.333% * 15.1089% (0.61 0.58 0.81) = 15.109% kept Peak 111 (3.70, 7.35, 128.88 ppm): 5 chemical-shift based assignments, quality = 0.374, support = 4.55, residual support = 69.6: O T HB2 TRP 49 - HD1 TRP 49 20.000% * 99.6794% (0.38 10.0 10.00 4.56 69.82) = 99.679% kept HA ILE 119 - HD1 TRP 49 20.000% * 0.1293% (0.49 1.0 1.00 0.02 0.02) = 0.129% HA THR 118 - HD1 TRP 49 20.000% * 0.0738% (0.28 1.0 1.00 0.02 0.13) = 0.074% HA VAL 75 - HD1 TRP 49 20.000% * 0.0738% (0.28 1.0 1.00 0.02 0.02) = 0.074% HA ALA 84 - HD1 TRP 49 20.000% * 0.0437% (0.16 1.0 1.00 0.02 0.02) = 0.044% Peak 112 (3.15, 7.35, 128.88 ppm): 2 chemical-shift based assignments, quality = 0.782, support = 4.61, residual support = 69.8: O T HB3 TRP 49 - HD1 TRP 49 50.000% * 99.9379% (0.78 10.0 10.00 4.61 69.82) = 99.938% kept HB3 PHE 59 - HD1 TRP 49 50.000% * 0.0621% (0.49 1.0 1.00 0.02 0.02) = 0.062% Peak 113 (0.38, 7.35, 128.88 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 2.78, residual support = 4.93: QB ALA 47 - HD1 TRP 49 33.333% * 69.7793% (0.67 3.30 6.36) = 69.779% kept QG1 VAL 42 - HD1 TRP 49 33.333% * 26.5692% (0.49 1.72 1.84) = 26.569% kept QB ALA 64 - HD1 TRP 49 33.333% * 3.6515% (0.16 0.70 0.02) = 3.651% kept Peak 118 (1.84, 7.49, 115.54 ppm): 10 chemical-shift based assignments, quality = 0.671, support = 0.401, residual support = 0.227: T HG LEU 123 - HZ2 TRP 49 10.000% * 77.3340% (0.73 10.00 0.40 0.11) = 77.334% kept HG12 ILE 103 - HZ2 TRP 49 10.000% * 6.3054% (0.32 1.00 0.72 1.16) = 6.305% kept HB ILE 103 - HZ2 TRP 49 10.000% * 5.5479% (0.49 1.00 0.42 1.16) = 5.548% kept HB3 PRO 52 - HZ2 TRP 49 10.000% * 5.1834% (0.73 1.00 0.26 0.02) = 5.183% kept HG3 PRO 68 - HZ2 TRP 49 10.000% * 4.3955% (0.55 1.00 0.30 0.02) = 4.395% kept HB VAL 41 - HZ2 TRP 49 10.000% * 0.5841% (0.16 1.00 0.13 0.02) = 0.584% HG2 ARG+ 54 - HZ2 TRP 49 10.000% * 0.2316% (0.43 1.00 0.02 0.02) = 0.232% HB3 ASP- 105 - HZ2 TRP 49 10.000% * 0.2023% (0.38 1.00 0.02 0.02) = 0.202% QB LYS+ 33 - HZ2 TRP 49 10.000% * 0.1271% (0.24 1.00 0.02 0.02) = 0.127% HB3 GLN 90 - HZ2 TRP 49 10.000% * 0.0887% (0.16 1.00 0.02 0.02) = 0.089% Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 119 (0.38, 7.49, 115.54 ppm): 3 chemical-shift based assignments, quality = 0.376, support = 1.25, residual support = 4.5: QB ALA 47 - HZ2 TRP 49 33.333% * 62.2994% (0.43 1.47 6.36) = 62.299% kept QG1 VAL 42 - HZ2 TRP 49 33.333% * 28.9820% (0.28 1.06 1.84) = 28.982% kept QB ALA 64 - HZ2 TRP 49 33.333% * 8.7185% (0.32 0.27 0.02) = 8.719% kept Peak 120 (2.30, 7.18, 125.21 ppm): 5 chemical-shift based assignments, quality = 0.62, support = 0.02, residual support = 0.02: HG2 MET 92 - HH2 TRP 49 20.000% * 24.4072% (0.73 0.02 0.02) = 24.407% kept HG3 GLU- 36 - HH2 TRP 49 20.000% * 24.4072% (0.73 0.02 0.02) = 24.407% kept QG GLU- 114 - HH2 TRP 49 20.000% * 20.3866% (0.61 0.02 0.02) = 20.387% kept HB2 GLU- 79 - HH2 TRP 49 20.000% * 16.3607% (0.49 0.02 0.02) = 16.361% kept QB MET 11 - HH2 TRP 49 20.000% * 14.4382% (0.43 0.02 0.02) = 14.438% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 121 (1.84, 7.18, 125.21 ppm): 10 chemical-shift based assignments, quality = 0.528, support = 0.805, residual support = 0.582: HB ILE 103 - HH2 TRP 49 10.000% * 31.3042% (0.49 1.31 1.16) = 31.304% kept HG LEU 123 - HH2 TRP 49 10.000% * 17.7395% (0.73 0.50 0.11) = 17.739% kept HG12 ILE 103 - HH2 TRP 49 10.000% * 16.6022% (0.32 1.04 1.16) = 16.602% kept HG3 PRO 68 - HH2 TRP 49 10.000% * 13.8895% (0.55 0.52 0.02) = 13.890% kept HB3 PRO 52 - HH2 TRP 49 10.000% * 12.6659% (0.73 0.36 0.02) = 12.666% kept HG2 ARG+ 54 - HH2 TRP 49 10.000% * 5.0539% (0.43 0.24 0.02) = 5.054% kept HB VAL 41 - HH2 TRP 49 10.000% * 1.9828% (0.16 0.25 0.02) = 1.983% kept HB3 ASP- 105 - HH2 TRP 49 10.000% * 0.3687% (0.38 0.02 0.02) = 0.369% QB LYS+ 33 - HH2 TRP 49 10.000% * 0.2316% (0.24 0.02 0.02) = 0.232% HB3 GLN 90 - HH2 TRP 49 10.000% * 0.1616% (0.16 0.02 0.02) = 0.162% Peak 122 (3.36, 7.32, 132.31 ppm): 2 chemical-shift based assignments, quality = 0.305, support = 2.16, residual support = 3.17: HD2 ARG+ 54 - QD PHE 55 50.000% * 77.9454% (0.32 2.50 4.02) = 77.945% kept HB3 CYS 53 - QD PHE 55 50.000% * 22.0546% (0.24 0.97 0.20) = 22.055% kept Peak 123 (4.46, 7.32, 132.31 ppm): 3 chemical-shift based assignments, quality = 0.79, support = 1.61, residual support = 8.44: HA PHE 55 - QD PHE 55 33.333% * 60.7647% (0.67 2.22 13.64) = 60.765% kept HA ALA 110 - QD PHE 55 33.333% * 31.5666% (1.00 0.77 0.46) = 31.567% kept HA GLN 90 - QD PHE 55 33.333% * 7.6687% (0.92 0.20 0.02) = 7.669% kept Peak 124 (1.43, 7.32, 132.31 ppm): 8 chemical-shift based assignments, quality = 0.781, support = 1.06, residual support = 0.643: HB3 LEU 67 - QD PHE 55 12.500% * 30.1907% (1.00 1.14 0.89) = 30.191% kept HG LEU 80 - QD PHE 55 12.500% * 25.9304% (0.67 1.47 1.12) = 25.930% kept QB ALA 110 - QD PHE 55 12.500% * 17.6737% (0.61 1.10 0.46) = 17.674% kept QG LYS+ 66 - QD PHE 55 12.500% * 12.2301% (0.88 0.52 0.02) = 12.230% kept HG LEU 73 - QD PHE 55 12.500% * 10.4366% (0.61 0.65 0.02) = 10.437% kept QB ALA 61 - QD PHE 55 12.500% * 3.0539% (0.92 0.13 0.02) = 3.054% kept HG12 ILE 19 - QD PHE 55 12.500% * 0.2575% (0.49 0.02 0.02) = 0.257% HG2 LYS+ 102 - QD PHE 55 12.500% * 0.2272% (0.43 0.02 0.02) = 0.227% Peak 125 (0.58, 7.32, 132.31 ppm): 6 chemical-shift based assignments, quality = 0.682, support = 1.14, residual support = 1.19: T QD2 LEU 80 - QD PHE 55 16.667% * 83.9382% (0.67 10.00 1.11 1.12) = 83.938% kept QD2 LEU 115 - QD PHE 55 16.667% * 12.8873% (0.73 1.00 1.57 1.99) = 12.887% kept QD1 LEU 73 - QD PHE 55 16.667% * 2.8225% (1.00 1.00 0.25 0.02) = 2.823% kept QD1 LEU 63 - QD PHE 55 16.667% * 0.2251% (1.00 1.00 0.02 0.02) = 0.225% QD1 LEU 104 - QD PHE 55 16.667% * 0.0735% (0.32 1.00 0.02 0.02) = 0.073% QD2 LEU 63 - QD PHE 55 16.667% * 0.0533% (0.24 1.00 0.02 0.02) = 0.053% Peak 126 (3.16, 7.33, 131.79 ppm): 1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02: HB3 PHE 59 - QE PHE 95 100.000% *100.0000% (0.98 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 128 (2.43, 7.33, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.474, support = 0.277, residual support = 0.51: T QE LYS+ 112 - QE PHE 95 20.000% * 77.3441% (0.43 10.00 0.28 0.38) = 77.344% kept HB3 PHE 45 - QE PHE 95 20.000% * 11.3769% (0.43 1.00 0.42 1.91) = 11.377% kept HG2 GLU- 29 - QE PHE 95 20.000% * 4.9957% (1.00 1.00 0.08 0.02) = 4.996% kept HB3 ASP- 86 - QE PHE 95 20.000% * 4.2998% (0.88 1.00 0.08 0.02) = 4.300% kept HB3 ASP- 62 - QE PHE 95 20.000% * 1.9836% (0.28 1.00 0.11 0.02) = 1.984% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 129 (1.70, 7.33, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.768, support = 0.304, residual support = 0.265: HB2 LEU 73 - QE PHE 95 16.667% * 50.2325% (0.84 0.42 0.45) = 50.233% kept QD LYS+ 106 - QE PHE 95 16.667% * 23.0974% (1.00 0.16 0.11) = 23.097% kept HD2 LYS+ 111 - QE PHE 95 16.667% * 14.2085% (0.43 0.23 0.02) = 14.209% kept QG1 ILE 56 - QE PHE 95 16.667% * 7.9138% (0.24 0.24 0.12) = 7.914% kept QD LYS+ 99 - QE PHE 95 16.667% * 2.8308% (1.00 0.02 0.02) = 2.831% kept HB3 MET 92 - QE PHE 95 16.667% * 1.7170% (0.61 0.02 0.02) = 1.717% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 130 (1.17, 7.33, 131.79 ppm): 3 chemical-shift based assignments, quality = 0.611, support = 0.809, residual support = 13.0: QG2 VAL 107 - QE PHE 95 33.333% * 51.7068% (0.43 1.16 24.55) = 51.707% kept HG13 ILE 103 - QE PHE 95 33.333% * 37.2179% (1.00 0.36 0.54) = 37.218% kept HG2 LYS+ 121 - QE PHE 95 33.333% * 11.0753% (0.16 0.65 1.29) = 11.075% kept Peak 131 (0.58, 7.33, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.761, support = 1.15, residual support = 1.03: T QD2 LEU 80 - QE PHE 95 16.667% * 41.9563% (0.67 10.00 0.52 0.36) = 41.956% kept QD2 LEU 115 - QE PHE 95 16.667% * 19.5636% (0.73 1.00 2.23 3.15) = 19.564% kept QD1 LEU 63 - QE PHE 95 16.667% * 17.8333% (1.00 1.00 1.49 0.91) = 17.833% kept QD1 LEU 73 - QE PHE 95 16.667% * 14.5840% (1.00 1.00 1.21 0.45) = 14.584% kept QD2 LEU 63 - QE PHE 95 16.667% * 3.1748% (0.24 1.00 1.12 0.91) = 3.175% kept QD1 LEU 104 - QE PHE 95 16.667% * 2.8879% (0.32 1.00 0.74 0.15) = 2.888% kept Peak 132 (0.41, 7.33, 131.79 ppm): 1 chemical-shift based assignment, quality = 0.278, support = 1.67, residual support = 2.66: QB ALA 64 - QE PHE 95 100.000% *100.0000% (0.28 1.67 2.66) = 100.000% kept Peak 133 (7.62, 7.29, 132.36 ppm): 3 chemical-shift based assignments, quality = 0.665, support = 1.05, residual support = 59.7: O QE PHE 60 - QD PHE 60 33.333% * 99.6397% (0.67 10.0 1.05 59.96) = 99.640% kept HZ2 TRP 87 - QD PHE 60 33.333% * 0.2222% (0.78 1.0 0.02 0.98) = 0.222% HD21 ASN 28 - QD PHE 60 33.333% * 0.1382% (0.49 1.0 0.02 0.02) = 0.138% Peak 134 (2.96, 7.29, 132.36 ppm): 3 chemical-shift based assignments, quality = 0.486, support = 3.49, residual support = 59.9: O T HB3 PHE 60 - QD PHE 60 33.333% * 99.8635% (0.49 10.0 10.00 3.49 59.96) = 99.864% kept HB2 ASN 35 - QD PHE 60 33.333% * 0.0881% (0.43 1.0 1.00 0.02 0.02) = 0.088% QE LYS+ 106 - QD PHE 60 33.333% * 0.0484% (0.24 1.0 1.00 0.02 0.02) = 0.048% Peak 138 (0.79, 7.29, 132.36 ppm): 4 chemical-shift based assignments, quality = 0.712, support = 0.995, residual support = 0.771: QD2 LEU 73 - QD PHE 60 25.000% * 49.5309% (0.67 1.40 1.28) = 49.531% kept QD1 ILE 56 - QD PHE 60 25.000% * 29.9464% (0.98 0.57 0.22) = 29.946% kept HG3 LYS+ 121 - QD PHE 60 25.000% * 17.0116% (0.43 0.74 0.43) = 17.012% kept HG LEU 31 - QD PHE 60 25.000% * 3.5111% (0.43 0.15 0.02) = 3.511% kept Peak 139 (0.40, 7.29, 132.36 ppm): 1 chemical-shift based assignment, quality = 0.882, support = 2.29, residual support = 3.57: QB ALA 64 - QD PHE 60 100.000% *100.0000% (0.88 2.29 3.57) = 100.000% kept Peak 140 (8.40, 7.13, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 3.32, residual support = 47.5: HN PHE 97 - QD PHE 97 50.000% * 91.1549% (0.92 3.61 52.15) = 91.155% kept HN LEU 115 - QD PHE 97 50.000% * 8.8451% (0.92 0.35 0.02) = 8.845% kept Peak 141 (3.70, 7.13, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.429, support = 0.603, residual support = 2.18: HA ILE 119 - QD PHE 97 20.000% * 54.9671% (0.55 0.68 1.99) = 54.967% kept HA THR 118 - QD PHE 97 20.000% * 24.0775% (0.32 0.50 0.11) = 24.077% kept HA VAL 75 - QD PHE 97 20.000% * 19.1090% (0.24 0.55 5.50) = 19.109% kept HB2 TRP 49 - QD PHE 97 20.000% * 1.2640% (0.43 0.02 0.02) = 1.264% kept HA ALA 84 - QD PHE 97 20.000% * 0.5823% (0.20 0.02 0.02) = 0.582% Peak 142 (2.98, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.787, support = 2.36, residual support = 49.6: O T HB2 PHE 97 - QD PHE 97 25.000% * 94.3065% (0.78 10.0 10.00 2.44 52.15) = 94.306% kept QE LYS+ 106 - QD PHE 97 25.000% * 5.5330% (0.88 1.0 1.00 1.04 8.02) = 5.533% kept HB3 TRP 27 - QD PHE 97 25.000% * 0.0875% (0.73 1.0 1.00 0.02 0.02) = 0.087% HB3 PHE 60 - QD PHE 97 25.000% * 0.0731% (0.61 1.0 1.00 0.02 0.02) = 0.073% Peak 143 (2.36, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.992, support = 2.58, residual support = 48.9: O T HB3 PHE 97 - QD PHE 97 25.000% * 93.8531% (1.00 10.0 10.00 2.70 52.15) = 93.853% kept HB2 GLN 116 - QD PHE 97 25.000% * 3.8238% (0.92 1.0 1.00 0.88 0.02) = 3.824% kept HB2 GLU- 100 - QD PHE 97 25.000% * 2.2774% (0.78 1.0 1.00 0.62 0.02) = 2.277% kept HB2 PRO 58 - QD PHE 97 25.000% * 0.0457% (0.49 1.0 1.00 0.02 0.02) = 0.046% Peak 144 (1.10, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.725, support = 0.565, residual support = 2.31: QG1 VAL 107 - QD PHE 97 25.000% * 78.4920% (0.67 0.70 2.94) = 78.492% kept HD3 LYS+ 112 - QD PHE 97 25.000% * 17.5654% (0.96 0.11 0.02) = 17.565% kept QG1 VAL 24 - QD PHE 97 25.000% * 3.3857% (1.00 0.02 0.02) = 3.386% kept HB3 LEU 31 - QD PHE 97 25.000% * 0.5569% (0.16 0.02 0.02) = 0.557% Peak 145 (1.02, 7.13, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.622, support = 2.47, residual support = 3.13: QD1 ILE 119 - QD PHE 97 25.000% * 49.8565% (0.88 2.28 1.99) = 49.857% kept HB VAL 75 - QD PHE 97 25.000% * 27.4262% (0.32 3.41 5.50) = 27.426% kept HB2 LEU 104 - QD PHE 97 25.000% * 20.1796% (0.43 1.90 3.10) = 20.180% kept QG2 VAL 108 - QD PHE 97 25.000% * 2.5376% (0.24 0.43 0.02) = 2.538% kept Peak 146 (0.20, 7.13, 131.79 ppm): 0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0: 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 0.40 Peak unassigned. Peak 148 (8.40, 7.19, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.923, support = 2.63, residual support = 9.47: HN LEU 115 - QD PHE 59 50.000% * 78.9301% (0.92 3.11 11.88) = 78.930% kept HN PHE 97 - QD PHE 59 50.000% * 21.0699% (0.92 0.83 0.44) = 21.070% kept Peak 149 (4.37, 7.19, 131.79 ppm): 6 chemical-shift based assignments, quality = 0.485, support = 1.65, residual support = 17.1: HA PHE 59 - QD PHE 59 16.667% * 39.1301% (0.32 2.89 41.35) = 39.130% kept HA LYS+ 99 - QD PHE 59 16.667% * 27.6651% (0.61 1.09 2.81) = 27.665% kept HA ASP- 113 - QD PHE 59 16.667% * 14.0584% (1.00 0.34 0.02) = 14.058% kept HA ILE 56 - QD PHE 59 16.667% * 10.5349% (0.32 0.78 0.95) = 10.535% kept HA LEU 123 - QD PHE 59 16.667% * 8.2984% (0.20 1.01 0.17) = 8.298% kept HA ASN 35 - QD PHE 59 16.667% * 0.3131% (0.38 0.02 0.02) = 0.313% Peak 150 (3.69, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.954, support = 1.71, residual support = 6.13: T HA ILE 119 - QD PHE 59 20.000% * 64.6137% (1.00 10.00 1.98 5.99) = 64.614% kept T HA THR 118 - QD PHE 59 20.000% * 35.2476% (0.88 10.00 1.22 6.40) = 35.248% kept HB2 TRP 49 - QD PHE 59 20.000% * 0.0628% (0.96 1.00 0.02 0.02) = 0.063% HA ALA 84 - QD PHE 59 20.000% * 0.0477% (0.73 1.00 0.02 0.02) = 0.048% HA2 GLY 109 - QD PHE 59 20.000% * 0.0282% (0.43 1.00 0.02 0.02) = 0.028% Peak 151 (3.32, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 2.53, residual support = 40.4: O HB2 PHE 59 - QD PHE 59 20.000% * 97.8256% (0.92 10.0 2.57 41.35) = 97.826% kept QB PHE 55 - QD PHE 59 20.000% * 2.0717% (0.55 1.0 0.72 0.02) = 2.072% kept HD3 PRO 68 - QD PHE 59 20.000% * 0.0455% (0.43 1.0 0.02 0.02) = 0.046% HD3 PRO 93 - QD PHE 59 20.000% * 0.0398% (0.38 1.0 0.02 0.02) = 0.040% HB3 CYS 53 - QD PHE 59 20.000% * 0.0174% (0.16 1.0 0.02 0.02) = 0.017% Peak 152 (3.17, 7.19, 131.79 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 2.75, residual support = 41.3: O HB3 PHE 59 - QD PHE 59 100.000% *100.0000% (0.92 10.0 2.75 41.35) = 100.000% kept Peak 153 (2.35, 7.19, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.827, support = 2.05, residual support = 20.9: HB2 PRO 58 - QD PHE 59 25.000% * 71.1784% (0.98 2.52 29.22) = 71.178% kept HB2 GLN 116 - QD PHE 59 25.000% * 13.0250% (0.38 1.20 0.11) = 13.025% kept HB3 PHE 97 - QD PHE 59 25.000% * 11.6141% (0.61 0.66 0.44) = 11.614% kept HB2 GLU- 100 - QD PHE 59 25.000% * 4.1825% (0.24 0.62 0.25) = 4.183% kept Peak 154 (1.72, 7.19, 131.79 ppm): 3 chemical-shift based assignments, quality = 0.871, support = 1.28, residual support = 2.14: HB3 LYS+ 99 - QD PHE 59 33.333% * 45.0056% (1.00 1.42 2.81) = 45.006% kept QG1 ILE 56 - QD PHE 59 33.333% * 28.4470% (0.92 0.97 0.95) = 28.447% kept HB ILE 89 - QD PHE 59 33.333% * 26.5474% (0.61 1.37 2.29) = 26.547% kept Peak 155 (1.44, 7.19, 131.79 ppm): 10 chemical-shift based assignments, quality = 0.56, support = 1.18, residual support = 5.72: HB3 LEU 115 - QD PHE 59 10.000% * 47.3111% (0.38 2.06 11.88) = 47.311% kept HG LEU 73 - QD PHE 59 10.000% * 20.5890% (1.00 0.34 0.22) = 20.589% kept HG LEU 40 - QD PHE 59 10.000% * 16.7390% (0.38 0.73 0.29) = 16.739% kept QG LYS+ 66 - QD PHE 59 10.000% * 8.2991% (0.92 0.15 0.02) = 8.299% kept HB3 LEU 67 - QD PHE 59 10.000% * 3.6659% (0.67 0.09 0.02) = 3.666% kept HG LEU 67 - QD PHE 59 10.000% * 1.2957% (0.24 0.09 0.02) = 1.296% kept HG2 LYS+ 102 - QD PHE 59 10.000% * 1.1304% (0.92 0.02 0.02) = 1.130% kept QB ALA 61 - QD PHE 59 10.000% * 0.5260% (0.43 0.02 0.31) = 0.526% HG LEU 80 - QD PHE 59 10.000% * 0.2423% (0.20 0.02 0.02) = 0.242% QB ALA 110 - QD PHE 59 10.000% * 0.2014% (0.16 0.02 0.02) = 0.201% Peak 156 (1.10, 7.19, 131.79 ppm): 4 chemical-shift based assignments, quality = 0.781, support = 0.406, residual support = 1.11: T QG1 VAL 107 - QD PHE 59 25.000% * 61.6350% (0.67 10.00 0.25 0.02) = 61.635% kept HD3 LYS+ 112 - QD PHE 59 25.000% * 28.5563% (0.96 1.00 0.80 3.85) = 28.556% kept QG1 VAL 24 - QD PHE 59 25.000% * 9.6858% (1.00 1.00 0.26 0.02) = 9.686% kept HB3 LEU 31 - QD PHE 59 25.000% * 0.1230% (0.16 1.00 0.02 0.02) = 0.123% Peak 157 (0.82, 7.19, 131.79 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 0.167, residual support = 0.167: QD2 LEU 123 - QD PHE 59 100.000% *100.0000% (0.96 0.17 0.17) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 158 (0.59, 7.19, 131.79 ppm): 5 chemical-shift based assignments, quality = 0.914, support = 2.56, residual support = 8.04: QD2 LEU 115 - QD PHE 59 20.000% * 67.2973% (0.96 3.45 11.88) = 67.297% kept QD1 LEU 73 - QD PHE 59 20.000% * 18.0479% (0.84 1.06 0.22) = 18.048% kept QD2 LEU 80 - QD PHE 59 20.000% * 6.0587% (0.92 0.32 0.02) = 6.059% kept QD1 LEU 63 - QD PHE 59 20.000% * 5.0061% (0.84 0.29 0.02) = 5.006% kept QD1 LEU 104 - QD PHE 59 20.000% * 3.5900% (0.61 0.29 0.02) = 3.590% kept Peak 159 (0.43, 7.19, 131.79 ppm): 2 chemical-shift based assignments, quality = 0.667, support = 1.76, residual support = 11.9: T QD1 LEU 115 - QD PHE 59 50.000% * 99.9361% (0.67 10.00 1.76 11.88) = 99.936% kept QG1 VAL 75 - QD PHE 59 50.000% * 0.0639% (0.38 1.00 0.02 0.02) = 0.064% Peak 160 (4.14, 7.26, 128.86 ppm): 6 chemical-shift based assignments, quality = 0.528, support = 0.837, residual support = 10.7: T HA LEU 115 - QE PHE 59 16.667% * 89.7525% (0.49 10.00 0.89 11.88) = 89.753% kept HA GLU- 114 - QE PHE 59 16.667% * 9.1180% (1.00 1.00 0.44 0.15) = 9.118% kept HA1 GLY 101 - QE PHE 59 16.667% * 0.3972% (0.96 1.00 0.02 0.02) = 0.397% HA ALA 34 - QE PHE 59 16.667% * 0.3017% (0.73 1.00 0.02 0.02) = 0.302% HA THR 26 - QE PHE 59 16.667% * 0.2520% (0.61 1.00 0.02 0.02) = 0.252% HA ASN 28 - QE PHE 59 16.667% * 0.1785% (0.43 1.00 0.02 0.02) = 0.178% Peak 161 (3.88, 7.26, 128.86 ppm): 4 chemical-shift based assignments, quality = 0.88, support = 1.36, residual support = 6.38: T HB THR 118 - QE PHE 59 25.000% * 99.6975% (0.88 10.00 1.37 6.40) = 99.697% kept HA ILE 89 - QE PHE 59 25.000% * 0.2218% (0.32 1.00 0.08 2.29) = 0.222% HB3 SER 37 - QE PHE 59 25.000% * 0.0536% (0.32 1.00 0.02 0.02) = 0.054% HB THR 39 - QE PHE 59 25.000% * 0.0272% (0.16 1.00 0.02 0.02) = 0.027% Peak 162 (2.42, 7.26, 128.86 ppm): 5 chemical-shift based assignments, quality = 0.971, support = 1.29, residual support = 2.79: QE LYS+ 112 - QE PHE 59 20.000% * 71.4537% (1.00 1.60 3.85) = 71.454% kept HB3 PHE 45 - QE PHE 59 20.000% * 25.4372% (1.00 0.57 0.15) = 25.437% kept HG2 GLU- 29 - QE PHE 59 20.000% * 1.5307% (0.32 0.10 0.02) = 1.531% kept HB3 ASP- 86 - QE PHE 59 20.000% * 1.0328% (0.16 0.14 0.02) = 1.033% kept HB VAL 107 - QE PHE 59 20.000% * 0.5457% (0.61 0.02 0.02) = 0.546% Peak 163 (2.27, 7.26, 128.86 ppm): 7 chemical-shift based assignments, quality = 0.816, support = 1.38, residual support = 2.39: HB2 ASP- 44 - QE PHE 59 14.286% * 34.2556% (0.98 1.32 0.90) = 34.256% kept HG12 ILE 119 - QE PHE 59 14.286% * 32.2372% (0.49 2.49 5.99) = 32.237% kept HB3 PHE 72 - QE PHE 59 14.286% * 12.6025% (1.00 0.48 0.02) = 12.603% kept QG GLU- 14 - QE PHE 59 14.286% * 10.2194% (1.00 0.39 0.02) = 10.219% kept QG GLU- 15 - QE PHE 59 14.286% * 5.7504% (0.88 0.25 2.55) = 5.750% kept QG GLN 90 - QE PHE 59 14.286% * 4.8097% (0.96 0.19 0.02) = 4.810% kept QB MET 11 - QE PHE 59 14.286% * 0.1252% (0.24 0.02 0.02) = 0.125% Peak 164 (1.11, 7.26, 128.86 ppm): 5 chemical-shift based assignments, quality = 0.732, support = 2.17, residual support = 4.09: HD3 LYS+ 112 - QE PHE 59 20.000% * 58.6084% (0.88 2.43 3.85) = 58.608% kept HG13 ILE 119 - QE PHE 59 20.000% * 30.4906% (0.49 2.29 5.99) = 30.491% kept QG1 VAL 24 - QE PHE 59 20.000% * 8.4336% (0.73 0.42 0.02) = 8.434% kept QG1 VAL 107 - QE PHE 59 20.000% * 2.1688% (0.24 0.34 0.02) = 2.169% kept HB3 LEU 31 - QE PHE 59 20.000% * 0.2985% (0.55 0.02 0.02) = 0.299% Peak 165 (0.60, 7.26, 128.86 ppm): 6 chemical-shift based assignments, quality = 0.664, support = 1.61, residual support = 10.2: T QD2 LEU 115 - QE PHE 59 16.667% * 85.4453% (0.73 10.00 1.81 11.88) = 85.445% kept T QD1 LEU 73 - QE PHE 59 16.667% * 8.5870% (0.24 10.00 0.56 0.22) = 8.587% kept T QD1 LEU 63 - QE PHE 59 16.667% * 4.5018% (0.24 10.00 0.29 0.02) = 4.502% kept T QD1 LEU 104 - QE PHE 59 16.667% * 1.2931% (1.00 10.00 0.02 0.02) = 1.293% kept QD2 LEU 80 - QE PHE 59 16.667% * 0.1017% (0.78 1.00 0.02 0.02) = 0.102% QG1 VAL 83 - QE PHE 59 16.667% * 0.0710% (0.55 1.00 0.02 0.02) = 0.071% Peak 166 (0.42, 7.26, 128.86 ppm): 2 chemical-shift based assignments, quality = 0.164, support = 2.71, residual support = 10.3: QD1 LEU 115 - QE PHE 59 50.000% * 86.7811% (0.16 3.05 11.88) = 86.781% kept QB ALA 64 - QE PHE 59 50.000% * 13.2189% (0.16 0.46 0.16) = 13.219% kept Peak 167 (0.24, 7.26, 128.86 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 2.48, residual support = 6.4: QG2 THR 118 - QE PHE 59 100.000% *100.0000% (0.61 2.48 6.40) = 100.000% kept Peak 168 (7.28, 7.63, 131.92 ppm): 3 chemical-shift based assignments, quality = 0.973, support = 1.04, residual support = 59.1: O QD PHE 60 - QE PHE 60 33.333% * 98.4660% (0.98 10.0 1.05 59.96) = 98.466% kept HN LYS+ 66 - QE PHE 60 33.333% * 1.4298% (0.55 1.0 0.27 1.14) = 1.430% kept HN LYS+ 81 - QE PHE 60 33.333% * 0.1042% (0.55 1.0 0.02 0.02) = 0.104% Peak 169 (2.26, 7.63, 131.92 ppm): 8 chemical-shift based assignments, quality = 0.717, support = 0.796, residual support = 1.02: HB3 PHE 72 - QE PHE 60 12.500% * 38.9996% (0.73 1.26 2.43) = 39.000% kept QG GLU- 14 - QE PHE 60 12.500% * 18.7015% (0.61 0.72 0.11) = 18.701% kept QG GLN 90 - QE PHE 60 12.500% * 15.6585% (0.84 0.44 0.02) = 15.658% kept HB2 ASP- 44 - QE PHE 60 12.500% * 12.4031% (0.55 0.53 0.02) = 12.403% kept HG12 ILE 119 - QE PHE 60 12.500% * 12.1302% (0.96 0.30 0.02) = 12.130% kept QG GLU- 15 - QE PHE 60 12.500% * 1.5016% (0.38 0.09 2.79) = 1.502% kept HB2 GLU- 29 - QE PHE 60 12.500% * 0.3676% (0.43 0.02 0.02) = 0.368% HG3 MET 92 - QE PHE 60 12.500% * 0.2379% (0.28 0.02 0.02) = 0.238% Peak 170 (1.38, 7.63, 131.92 ppm): 9 chemical-shift based assignments, quality = 0.962, support = 0.532, residual support = 1.47: HB VAL 42 - QE PHE 60 11.111% * 51.8280% (1.00 0.75 2.04) = 51.828% kept HB3 LEU 73 - QE PHE 60 11.111% * 26.6715% (0.96 0.40 1.28) = 26.672% kept HG3 LYS+ 65 - QE PHE 60 11.111% * 15.7162% (1.00 0.23 0.48) = 15.716% kept HG3 LYS+ 33 - QE PHE 60 11.111% * 1.3821% (1.00 0.02 0.02) = 1.382% kept HG3 LYS+ 102 - QE PHE 60 11.111% * 1.2822% (0.92 0.02 0.02) = 1.282% kept HB2 LYS+ 112 - QE PHE 60 11.111% * 1.1602% (0.84 0.02 0.02) = 1.160% kept HG3 LYS+ 106 - QE PHE 60 11.111% * 0.9264% (0.67 0.02 0.02) = 0.926% QB ALA 12 - QE PHE 60 11.111% * 0.7585% (0.55 0.02 0.02) = 0.759% QB LEU 98 - QE PHE 60 11.111% * 0.2749% (0.20 0.02 0.02) = 0.275% Peak 171 (0.81, 7.63, 131.92 ppm): 2 chemical-shift based assignments, quality = 0.642, support = 0.388, residual support = 0.291: HG3 LYS+ 121 - QE PHE 60 50.000% * 55.5217% (0.49 0.51 0.43) = 55.522% kept QD2 LEU 123 - QE PHE 60 50.000% * 44.4783% (0.84 0.24 0.12) = 44.478% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 172 (0.39, 7.63, 131.92 ppm): 2 chemical-shift based assignments, quality = 0.623, support = 1.32, residual support = 3.26: QB ALA 64 - QE PHE 60 50.000% * 91.2445% (0.67 1.39 3.57) = 91.244% kept QB ALA 47 - QE PHE 60 50.000% * 8.7555% (0.16 0.54 0.02) = 8.756% kept Peak 173 (2.28, 7.29, 132.36 ppm): 6 chemical-shift based assignments, quality = 0.64, support = 1.38, residual support = 1.72: HB3 PHE 72 - QD PHE 60 16.667% * 46.0147% (0.55 2.35 2.43) = 46.015% kept QG GLU- 15 - QD PHE 60 16.667% * 20.8681% (0.88 0.66 2.79) = 20.868% kept HB2 ASP- 44 - QD PHE 60 16.667% * 13.9042% (0.73 0.53 0.02) = 13.904% kept QG GLU- 14 - QD PHE 60 16.667% * 9.9171% (0.67 0.41 0.11) = 9.917% kept QG GLN 90 - QD PHE 60 16.667% * 8.7342% (0.43 0.57 0.02) = 8.734% kept QB MET 11 - QD PHE 60 16.667% * 0.5617% (0.78 0.02 0.02) = 0.562% Peak 174 (6.98, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.722, support = 2.98, residual support = 76.3: O QE PHE 72 - QD PHE 72 50.000% * 98.8833% (0.73 10.0 3.01 77.18) = 98.883% kept HD22 ASN 28 - QD PHE 72 50.000% * 1.1167% (0.38 1.0 0.44 0.02) = 1.117% kept Peak 175 (7.30, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.786, support = 1.37, residual support = 2.09: HN LYS+ 81 - QD PHE 72 50.000% * 55.3521% (0.98 1.14 1.82) = 55.352% kept QD PHE 60 - QD PHE 72 50.000% * 44.6479% (0.55 1.65 2.43) = 44.648% kept Peak 176 (7.60, 6.69, 132.41 ppm): 4 chemical-shift based assignments, quality = 0.608, support = 0.736, residual support = 7.94: HN LEU 63 - QD PHE 72 25.000% * 61.4276% (0.61 1.04 12.89) = 61.428% kept HD21 ASN 28 - QD PHE 72 25.000% * 18.6829% (0.78 0.25 0.02) = 18.683% kept HN ILE 56 - QD PHE 72 25.000% * 12.6883% (0.43 0.30 0.15) = 12.688% kept HZ2 TRP 87 - QD PHE 72 25.000% * 7.2013% (0.49 0.15 0.02) = 7.201% kept Peak 177 (9.36, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.952, support = 5.18, residual support = 76.8: HN PHE 72 - QD PHE 72 50.000% * 99.5395% (0.96 5.20 77.18) = 99.539% kept HN LEU 104 - QD PHE 72 50.000% * 0.4605% (0.20 0.12 0.52) = 0.461% Peak 178 (6.70, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.495, support = 1.99, residual support = 77.2: O T HZ PHE 72 - QE PHE 72 33.333% * 55.9600% (0.55 10.0 10.00 1.18 77.18) = 55.960% kept O T QD PHE 72 - QE PHE 72 33.333% * 44.0197% (0.43 10.0 10.00 3.01 77.18) = 44.020% kept QE PHE 45 - QE PHE 72 33.333% * 0.0203% (0.20 1.0 1.00 0.02 0.02) = 0.020% Peak 179 (7.30, 6.99, 130.46 ppm): 2 chemical-shift based assignments, quality = 0.856, support = 1.42, residual support = 2.0: HN LYS+ 81 - QE PHE 72 50.000% * 71.3966% (0.98 1.55 1.82) = 71.397% kept QD PHE 60 - QE PHE 72 50.000% * 28.6034% (0.55 1.11 2.43) = 28.603% kept Peak 180 (6.99, 6.71, 127.90 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 1.18, residual support = 77.1: O QE PHE 72 - HZ PHE 72 50.000% * 99.9528% (1.00 10.0 1.18 77.18) = 99.953% kept HN ALA 47 - HZ PHE 72 50.000% * 0.0472% (0.28 1.0 0.02 0.02) = 0.047% Peak 181 (5.29, 6.69, 132.41 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 4.33, residual support = 77.2: HA PHE 72 - QD PHE 72 100.000% *100.0000% (0.78 4.33 77.18) = 100.000% kept Peak 182 (4.83, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.738, support = 0.585, residual support = 0.762: HA ASP- 78 - QD PHE 72 50.000% * 78.9182% (0.84 0.64 0.96) = 78.918% kept HA THR 23 - QD PHE 72 50.000% * 21.0818% (0.38 0.38 0.02) = 21.082% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 183 (2.85, 6.69, 132.41 ppm): 2 chemical-shift based assignments, quality = 0.826, support = 3.12, residual support = 38.7: T HA ALA 64 - QD PHE 72 50.000% * 98.3724% (0.84 10.00 3.15 39.30) = 98.372% kept HB3 ASN 35 - QD PHE 72 50.000% * 1.6276% (0.24 1.00 1.17 1.07) = 1.628% kept Peak 184 (2.27, 6.69, 132.41 ppm): 7 chemical-shift based assignments, quality = 0.952, support = 4.43, residual support = 76.8: O T HB3 PHE 72 - QD PHE 72 14.286% * 99.5518% (0.96 10.0 10.00 4.45 77.18) = 99.552% kept QG GLN 90 - QD PHE 72 14.286% * 0.1036% (1.00 1.0 1.00 0.02 0.02) = 0.104% QG GLU- 14 - QD PHE 72 14.286% * 0.0919% (0.88 1.0 1.00 0.02 0.02) = 0.092% HB2 ASP- 44 - QD PHE 72 14.286% * 0.0870% (0.84 1.0 1.00 0.02 0.02) = 0.087% HG12 ILE 119 - QD PHE 72 14.286% * 0.0756% (0.73 1.0 1.00 0.02 1.75) = 0.076% QG GLU- 15 - QD PHE 72 14.286% * 0.0695% (0.67 1.0 1.00 0.02 0.02) = 0.069% HB2 GLU- 29 - QD PHE 72 14.286% * 0.0206% (0.20 1.0 1.00 0.02 0.02) = 0.021% Peak 185 (1.39, 6.69, 132.41 ppm): 11 chemical-shift based assignments, quality = 0.538, support = 1.74, residual support = 7.41: T HB VAL 42 - QD PHE 72 9.091% * 60.7357% (0.61 10.00 0.83 1.01) = 60.736% kept HB3 LEU 73 - QD PHE 72 9.091% * 23.6091% (0.49 1.00 4.01 28.12) = 23.609% kept HB3 LYS+ 74 - QD PHE 72 9.091% * 9.4718% (0.28 1.00 2.82 1.67) = 9.472% kept HG3 LYS+ 65 - QD PHE 72 9.091% * 4.6144% (0.61 1.00 0.63 0.02) = 4.614% kept T HB2 LYS+ 112 - QD PHE 72 9.091% * 0.7858% (0.32 10.00 0.02 0.02) = 0.786% QB ALA 12 - QD PHE 72 9.091% * 0.2372% (0.98 1.00 0.02 0.02) = 0.237% HG3 LYS+ 33 - QD PHE 72 9.091% * 0.1758% (0.73 1.00 0.02 0.02) = 0.176% QB LEU 98 - QD PHE 72 9.091% * 0.1614% (0.67 1.00 0.02 0.02) = 0.161% HG3 LYS+ 102 - QD PHE 72 9.091% * 0.1040% (0.43 1.00 0.02 0.02) = 0.104% HD3 LYS+ 121 - QD PHE 72 9.091% * 0.0571% (0.24 1.00 0.02 0.02) = 0.057% HG3 LYS+ 106 - QD PHE 72 9.091% * 0.0479% (0.20 1.00 0.02 0.02) = 0.048% Peak 186 (1.00, 6.69, 132.41 ppm): 3 chemical-shift based assignments, quality = 0.89, support = 3.73, residual support = 12.1: HB VAL 75 - QD PHE 72 33.333% * 90.8654% (0.96 3.95 13.18) = 90.865% kept QD1 ILE 119 - QD PHE 72 33.333% * 9.0554% (0.24 1.59 1.75) = 9.055% kept QD2 LEU 40 - QD PHE 72 33.333% * 0.0792% (0.16 0.02 0.02) = 0.079% Peak 187 (0.79, 6.69, 132.41 ppm): 4 chemical-shift based assignments, quality = 0.861, support = 4.67, residual support = 21.7: QD2 LEU 73 - QD PHE 72 25.000% * 76.4503% (0.88 5.77 28.12) = 76.450% kept HG LEU 31 - QD PHE 72 25.000% * 14.0743% (0.67 1.41 1.34) = 14.074% kept QD1 ILE 56 - QD PHE 72 25.000% * 9.4046% (0.98 0.64 0.15) = 9.405% kept HG3 LYS+ 121 - QD PHE 72 25.000% * 0.0708% (0.24 0.02 0.02) = 0.071% Peak 188 (0.41, 6.69, 132.41 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 5.56, residual support = 39.3: T QB ALA 64 - QD PHE 72 100.000% *100.0000% (0.61 10.00 5.56 39.30) = 100.000% kept Peak 189 (0.20, 6.69, 132.41 ppm): 1 chemical-shift based assignment, quality = 0.375, support = 3.46, residual support = 34.3: T QG2 VAL 70 - QD PHE 72 100.000% *100.0000% (0.38 10.00 3.46 34.28) = 100.000% kept Peak 190 (2.86, 6.99, 130.46 ppm): 2 chemical-shift based assignments, quality = 0.818, support = 0.963, residual support = 0.873: HB3 ASN 35 - QE PHE 72 50.000% * 56.6586% (0.98 0.87 1.07) = 56.659% kept QE LYS+ 66 - QE PHE 72 50.000% * 43.3414% (0.61 1.08 0.62) = 43.341% kept Peak 191 (2.21, 6.99, 130.46 ppm): 4 chemical-shift based assignments, quality = 0.961, support = 1.88, residual support = 26.9: T HB VAL 70 - QE PHE 72 25.000% * 78.2626% (0.98 10.00 2.26 34.28) = 78.263% kept T QG GLN 17 - QE PHE 72 25.000% * 18.2965% (0.92 10.00 0.50 0.02) = 18.297% kept HB2 MET 96 - QE PHE 72 25.000% * 1.9970% (0.67 1.00 0.75 2.21) = 1.997% kept HB2 GLU- 25 - QE PHE 72 25.000% * 1.4438% (0.78 1.00 0.46 0.02) = 1.444% kept Peak 192 (1.99, 6.99, 130.46 ppm): 6 chemical-shift based assignments, quality = 0.331, support = 1.81, residual support = 5.46: T HB2 LEU 67 - QE PHE 72 16.667% * 59.7261% (0.16 10.00 2.22 8.70) = 59.726% kept HG2 PRO 68 - QE PHE 72 16.667% * 17.5803% (0.61 1.00 1.60 0.78) = 17.580% kept HB ILE 19 - QE PHE 72 16.667% * 12.1898% (0.49 1.00 1.38 0.96) = 12.190% kept HB2 LEU 115 - QE PHE 72 16.667% * 5.6458% (0.67 1.00 0.47 0.24) = 5.646% kept HG3 PRO 58 - QE PHE 72 16.667% * 4.0246% (0.73 1.00 0.31 0.02) = 4.025% kept QB GLU- 114 - QE PHE 72 16.667% * 0.8334% (0.38 1.00 0.12 0.02) = 0.833% Peak 193 (1.41, 6.99, 130.46 ppm): 8 chemical-shift based assignments, quality = 0.771, support = 1.42, residual support = 1.05: HB3 LYS+ 74 - QE PHE 72 12.500% * 42.5622% (0.78 2.04 1.67) = 42.562% kept HB2 LEU 80 - QE PHE 72 12.500% * 25.3263% (0.98 0.97 0.39) = 25.326% kept HG12 ILE 19 - QE PHE 72 12.500% * 21.6577% (0.67 1.22 0.96) = 21.658% kept HG LEU 80 - QE PHE 72 12.500% * 7.7566% (0.49 0.60 0.39) = 7.757% kept QB ALA 110 - QE PHE 72 12.500% * 1.3072% (0.55 0.09 0.02) = 1.307% kept QB ALA 61 - QE PHE 72 12.500% * 0.7443% (0.24 0.12 0.02) = 0.744% HD3 LYS+ 121 - QE PHE 72 12.500% * 0.4456% (0.84 0.02 0.02) = 0.446% QB LEU 98 - QE PHE 72 12.500% * 0.2002% (0.38 0.02 0.02) = 0.200% Peak 194 (1.00, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.578, support = 1.34, residual support = 7.18: T QD1 ILE 119 - QE PHE 72 33.333% * 52.3476% (0.24 10.00 0.84 1.75) = 52.348% kept HB VAL 75 - QE PHE 72 33.333% * 47.5659% (0.96 1.00 1.89 13.18) = 47.566% kept QD2 LEU 40 - QE PHE 72 33.333% * 0.0865% (0.16 1.00 0.02 0.02) = 0.086% Peak 196 (0.89, 6.99, 130.46 ppm): 2 chemical-shift based assignments, quality = 0.621, support = 2.95, residual support = 9.5: HB3 LEU 63 - QE PHE 72 50.000% * 72.8630% (0.49 3.78 12.89) = 72.863% kept QG1 VAL 108 - QE PHE 72 50.000% * 27.1370% (0.98 0.70 0.41) = 27.137% kept Peak 197 (0.58, 6.99, 130.46 ppm): 6 chemical-shift based assignments, quality = 0.821, support = 3.17, residual support = 17.0: QD1 LEU 63 - QE PHE 72 16.667% * 40.9861% (0.96 3.63 12.89) = 40.986% kept QD1 LEU 73 - QE PHE 72 16.667% * 33.0293% (0.96 2.92 28.12) = 33.029% kept QD2 LEU 63 - QE PHE 72 16.667% * 18.3065% (0.43 3.61 12.89) = 18.306% kept QD2 LEU 80 - QE PHE 72 16.667% * 4.6321% (0.43 0.91 0.39) = 4.632% kept QD2 LEU 115 - QE PHE 72 16.667% * 3.0071% (0.49 0.52 0.24) = 3.007% kept QD1 LEU 104 - QE PHE 72 16.667% * 0.0389% (0.16 0.02 0.52) = 0.039% Peak 198 (0.38, 6.99, 130.46 ppm): 3 chemical-shift based assignments, quality = 0.425, support = 4.35, residual support = 38.7: QB ALA 64 - QE PHE 72 33.333% * 98.3512% (0.43 4.43 39.30) = 98.351% kept QG1 VAL 42 - QE PHE 72 33.333% * 1.3129% (0.20 0.13 1.01) = 1.313% kept QB ALA 47 - QE PHE 72 33.333% * 0.3359% (0.32 0.02 0.02) = 0.336% Peak 199 (0.19, 6.99, 130.46 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 3.68, residual support = 34.3: T QG2 VAL 70 - QE PHE 72 100.000% *100.0000% (0.78 10.00 3.68 34.28) = 100.000% kept Peak 200 (2.85, 6.71, 127.90 ppm): 3 chemical-shift based assignments, quality = 0.393, support = 2.59, residual support = 34.8: T HA ALA 64 - HZ PHE 72 33.333% * 88.2799% (0.38 10.00 2.78 39.30) = 88.280% kept HB3 ASN 35 - HZ PHE 72 33.333% * 7.8869% (0.67 1.00 1.01 1.07) = 7.887% kept QE LYS+ 66 - HZ PHE 72 33.333% * 3.8332% (0.24 1.00 1.38 0.62) = 3.833% kept Peak 201 (2.20, 6.71, 127.90 ppm): 4 chemical-shift based assignments, quality = 0.77, support = 2.49, residual support = 23.8: T HB VAL 70 - HZ PHE 72 25.000% * 68.5667% (0.84 10.00 3.24 34.28) = 68.567% kept T QG GLN 17 - HZ PHE 72 25.000% * 15.9845% (0.92 10.00 0.42 0.02) = 15.984% kept T HB2 MET 96 - HZ PHE 72 25.000% * 13.6667% (0.24 10.00 1.41 2.21) = 13.667% kept HB2 GLU- 25 - HZ PHE 72 25.000% * 1.7820% (1.00 1.00 0.44 0.02) = 1.782% kept Peak 202 (1.99, 6.71, 127.90 ppm): 6 chemical-shift based assignments, quality = 0.334, support = 1.84, residual support = 5.42: T HB2 LEU 67 - HZ PHE 72 16.667% * 59.1341% (0.16 10.00 2.25 8.70) = 59.134% kept HG2 PRO 68 - HZ PHE 72 16.667% * 17.8848% (0.61 1.00 1.64 0.78) = 17.885% kept HB ILE 19 - HZ PHE 72 16.667% * 12.2695% (0.49 1.00 1.40 0.96) = 12.270% kept HB2 LEU 115 - HZ PHE 72 16.667% * 5.7885% (0.67 1.00 0.48 0.24) = 5.788% kept HG3 PRO 58 - HZ PHE 72 16.667% * 4.1263% (0.73 1.00 0.32 0.02) = 4.126% kept QB GLU- 114 - HZ PHE 72 16.667% * 0.7968% (0.38 1.00 0.12 0.02) = 0.797% Peak 203 (1.41, 6.71, 127.90 ppm): 8 chemical-shift based assignments, quality = 0.745, support = 1.59, residual support = 1.13: HB3 LYS+ 74 - HZ PHE 72 12.500% * 48.7692% (0.78 2.31 1.67) = 48.769% kept HG12 ILE 19 - HZ PHE 72 12.500% * 21.5350% (0.67 1.20 0.96) = 21.535% kept HB2 LEU 80 - HZ PHE 72 12.500% * 15.7925% (0.98 0.60 0.39) = 15.793% kept HG LEU 80 - HZ PHE 72 12.500% * 11.8026% (0.49 0.90 0.39) = 11.803% kept QB ALA 110 - HZ PHE 72 12.500% * 1.3209% (0.55 0.09 0.02) = 1.321% kept HD3 LYS+ 121 - HZ PHE 72 12.500% * 0.4503% (0.84 0.02 0.02) = 0.450% QB LEU 98 - HZ PHE 72 12.500% * 0.2023% (0.38 0.02 0.02) = 0.202% QB ALA 61 - HZ PHE 72 12.500% * 0.1271% (0.24 0.02 0.02) = 0.127% Peak 204 (1.00, 6.71, 127.90 ppm): 3 chemical-shift based assignments, quality = 0.888, support = 2.87, residual support = 12.1: T HB VAL 75 - HZ PHE 72 33.333% * 90.5527% (0.96 10.00 3.08 13.18) = 90.553% kept T QD1 ILE 119 - HZ PHE 72 33.333% * 9.4317% (0.24 10.00 0.84 1.75) = 9.432% kept QD2 LEU 40 - HZ PHE 72 33.333% * 0.0156% (0.16 1.00 0.02 0.02) = 0.016% Peak 205 (0.88, 6.71, 127.90 ppm): 3 chemical-shift based assignments, quality = 0.87, support = 2.45, residual support = 12.4: T HB3 LEU 63 - HZ PHE 72 33.333% * 96.4716% (0.88 10.00 2.52 12.89) = 96.472% kept QG1 VAL 108 - HZ PHE 72 33.333% * 2.8053% (0.67 1.00 0.77 0.41) = 2.805% kept QG1 VAL 18 - HZ PHE 72 33.333% * 0.7231% (0.20 1.00 0.67 0.02) = 0.723% Peak 206 (0.58, 6.71, 127.90 ppm): 6 chemical-shift based assignments, quality = 0.833, support = 2.31, residual support = 18.0: QD1 LEU 73 - HZ PHE 72 16.667% * 38.9296% (0.96 2.49 28.12) = 38.930% kept QD1 LEU 63 - HZ PHE 72 16.667% * 37.3711% (0.96 2.39 12.89) = 37.371% kept QD2 LEU 63 - HZ PHE 72 16.667% * 17.1998% (0.43 2.45 12.89) = 17.200% kept QD2 LEU 115 - HZ PHE 72 16.667% * 4.0149% (0.49 0.50 0.24) = 4.015% kept QD2 LEU 80 - HZ PHE 72 16.667% * 2.4309% (0.43 0.35 0.39) = 2.431% kept QD1 LEU 104 - HZ PHE 72 16.667% * 0.0538% (0.16 0.02 0.52) = 0.054% Peak 207 (0.19, 6.71, 127.90 ppm): 1 chemical-shift based assignment, quality = 0.783, support = 4.78, residual support = 34.3: T QG2 VAL 70 - HZ PHE 72 100.000% *100.0000% (0.78 10.00 4.78 34.28) = 100.000% kept Peak 208 (10.56, 7.75, 128.42 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 1.36, residual support = 62.8: O HE1 TRP 87 - HD1 TRP 87 100.000% *100.0000% (0.96 10.0 1.36 62.78) = 100.000% kept Peak 209 (10.56, 7.61, 114.70 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 1.0, residual support = 62.8: O HE1 TRP 87 - HZ2 TRP 87 100.000% *100.0000% (0.96 10.0 1.00 62.78) = 100.000% kept Peak 210 (7.13, 7.71, 120.66 ppm): 2 chemical-shift based assignments, quality = 0.955, support = 1.21, residual support = 62.7: O T HZ3 TRP 87 - HE3 TRP 87 50.000% * 99.8960% (0.96 10.0 10.00 1.21 62.78) = 99.896% kept QD PHE 97 - HE3 TRP 87 50.000% * 0.1040% (1.00 1.0 1.00 0.02 0.02) = 0.104% Peak 211 (7.61, 7.23, 124.80 ppm): 3 chemical-shift based assignments, quality = 0.978, support = 0.998, residual support = 62.6: O HZ2 TRP 87 - HH2 TRP 87 33.333% * 99.7651% (0.98 10.0 1.00 62.78) = 99.765% kept HD21 ASN 28 - HH2 TRP 87 33.333% * 0.1946% (0.96 1.0 0.02 0.14) = 0.195% QE PHE 60 - HH2 TRP 87 33.333% * 0.0403% (0.20 1.0 0.02 0.98) = 0.040% Peak 212 (7.22, 7.61, 114.70 ppm): 2 chemical-shift based assignments, quality = 0.781, support = 0.998, residual support = 62.7: O HH2 TRP 87 - HZ2 TRP 87 50.000% * 99.8299% (0.78 10.0 1.00 62.78) = 99.830% kept HN HIS 122 - HZ2 TRP 87 50.000% * 0.1701% (0.67 1.0 0.02 0.02) = 0.170% Peak 213 (6.74, 7.61, 114.70 ppm): 1 chemical-shift based assignment, quality = 0.726, support = 0.75, residual support = 3.96: T HZ2 TRP 27 - HZ2 TRP 87 100.000% *100.0000% (0.73 10.00 0.75 3.96) = 100.000% kept Peak 214 (7.35, 7.13, 121.44 ppm): 6 chemical-shift based assignments, quality = 0.722, support = 0.206, residual support = 0.125: HN LEU 67 - HZ3 TRP 87 16.667% * 57.0012% (0.78 0.29 0.16) = 57.001% kept HD2 HIS 22 - HZ3 TRP 87 16.667% * 23.2966% (0.84 0.11 0.02) = 23.297% kept HN THR 23 - HZ3 TRP 87 16.667% * 5.6445% (0.24 0.10 0.02) = 5.644% kept HD1 TRP 49 - HZ3 TRP 87 16.667% * 4.8950% (0.98 0.02 0.02) = 4.895% kept QE PHE 95 - HZ3 TRP 87 16.667% * 4.6444% (0.20 0.09 0.02) = 4.644% kept HD21 ASN 35 - HZ3 TRP 87 16.667% * 4.5183% (0.24 0.08 0.58) = 4.518% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 215 (8.29, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.603, support = 0.725, residual support = 0.803: HN GLU- 29 - HD1 TRP 87 50.000% * 98.9501% (0.61 0.73 0.81) = 98.950% kept HN VAL 18 - HD1 TRP 87 50.000% * 1.0499% (0.24 0.02 0.02) = 1.050% kept Peak 216 (-0.01, 7.23, 124.80 ppm): 1 chemical-shift based assignment, quality = 0.607, support = 0.871, residual support = 1.36: QD1 LEU 31 - HH2 TRP 87 100.000% *100.0000% (0.61 0.87 1.36) = 100.000% kept Peak 217 (0.56, 7.23, 124.80 ppm): 6 chemical-shift based assignments, quality = 0.658, support = 0.753, residual support = 1.42: QD2 LEU 63 - HH2 TRP 87 16.667% * 53.6264% (0.96 0.75 1.62) = 53.626% kept QG2 VAL 41 - HH2 TRP 87 16.667% * 18.7139% (0.49 0.51 0.02) = 18.714% kept QD1 LEU 63 - HH2 TRP 87 16.667% * 13.8369% (0.16 1.12 1.62) = 13.837% kept QD2 LEU 98 - HH2 TRP 87 16.667% * 13.2241% (0.24 0.75 2.43) = 13.224% kept QD1 LEU 80 - HH2 TRP 87 16.667% * 0.3526% (0.24 0.02 0.02) = 0.353% QD1 LEU 73 - HH2 TRP 87 16.667% * 0.2460% (0.16 0.02 0.02) = 0.246% Peak 218 (0.72, 7.23, 124.80 ppm): 3 chemical-shift based assignments, quality = 0.542, support = 1.65, residual support = 2.39: QD1 LEU 98 - HH2 TRP 87 33.333% * 98.3551% (0.55 1.67 2.43) = 98.355% kept QD2 LEU 104 - HH2 TRP 87 33.333% * 1.0469% (0.49 0.02 0.02) = 1.047% kept QD1 ILE 19 - HH2 TRP 87 33.333% * 0.5980% (0.28 0.02 0.02) = 0.598% Peak 219 (4.35, 7.71, 120.66 ppm): 3 chemical-shift based assignments, quality = 0.601, support = 3.45, residual support = 62.2: T HA TRP 87 - HE3 TRP 87 33.333% * 99.1316% (0.61 10.00 3.48 62.78) = 99.132% kept HA PHE 59 - HE3 TRP 87 33.333% * 0.8463% (0.92 1.00 0.11 0.10) = 0.846% HA ASP- 113 - HE3 TRP 87 33.333% * 0.0221% (0.14 1.00 0.02 0.02) = 0.022% Peak 220 (3.41, 7.71, 120.66 ppm): 2 chemical-shift based assignments, quality = 0.987, support = 3.49, residual support = 62.3: O T HB2 TRP 87 - HE3 TRP 87 50.000% * 99.1943% (1.00 10.0 10.00 3.52 62.78) = 99.194% kept HB2 PHE 60 - HE3 TRP 87 50.000% * 0.8057% (1.00 1.0 1.00 0.16 0.98) = 0.806% Peak 221 (0.96, 7.71, 120.66 ppm): 3 chemical-shift based assignments, quality = 0.878, support = 0.836, residual support = 1.99: T QD1 ILE 103 - HE3 TRP 87 33.333% * 95.0793% (0.88 10.00 0.86 2.06) = 95.079% kept QD2 LEU 71 - HE3 TRP 87 33.333% * 3.8612% (0.73 1.00 0.43 0.53) = 3.861% kept QG2 ILE 119 - HE3 TRP 87 33.333% * 1.0595% (1.00 1.00 0.08 0.59) = 1.059% kept Peak 222 (4.35, 7.75, 128.42 ppm): 3 chemical-shift based assignments, quality = 0.649, support = 2.83, residual support = 54.1: HA TRP 87 - HD1 TRP 87 33.333% * 86.2245% (0.61 3.23 62.78) = 86.225% kept HA PHE 59 - HD1 TRP 87 33.333% * 13.6562% (0.92 0.34 0.10) = 13.656% kept HA ASP- 113 - HD1 TRP 87 33.333% * 0.1192% (0.14 0.02 0.02) = 0.119% Peak 223 (3.79, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.78, support = 0.964, residual support = 1.42: T HA LYS+ 38 - HD1 TRP 87 50.000% * 99.7140% (0.78 10.00 0.97 1.42) = 99.714% kept HA GLU- 100 - HD1 TRP 87 50.000% * 0.2860% (0.16 1.00 0.13 0.02) = 0.286% Peak 224 (3.41, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.995, support = 2.5, residual support = 42.2: O HB2 TRP 87 - HD1 TRP 87 50.000% * 66.6925% (1.00 10.0 1.00 3.25 62.78) = 66.692% kept T HB2 PHE 60 - HD1 TRP 87 50.000% * 33.3075% (1.00 1.0 10.00 1.00 0.98) = 33.308% kept Peak 225 (2.94, 7.75, 128.42 ppm): 5 chemical-shift based assignments, quality = 0.691, support = 1.31, residual support = 2.34: T HB2 ASN 35 - HD1 TRP 87 20.000% * 47.6669% (0.61 10.00 1.23 0.58) = 47.667% kept T HB2 ASN 28 - HD1 TRP 87 20.000% * 35.6564% (0.67 10.00 0.84 0.14) = 35.656% kept HB2 ASP- 86 - HD1 TRP 87 20.000% * 16.5016% (1.00 1.00 2.59 12.19) = 16.502% kept QE LYS+ 65 - HD1 TRP 87 20.000% * 0.1129% (0.88 1.00 0.02 0.02) = 0.113% QE LYS+ 33 - HD1 TRP 87 20.000% * 0.0622% (0.49 1.00 0.02 0.02) = 0.062% Peak 226 (2.48, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.586, support = 0.701, residual support = 0.637: HG2 GLU- 36 - HD1 TRP 87 50.000% * 93.7247% (0.61 0.74 0.68) = 93.725% kept HG3 MET 96 - HD1 TRP 87 50.000% * 6.2753% (0.28 0.11 0.02) = 6.275% kept Not enough total support, support cutoff is 0.80 Peak unassigned. Peak 227 (0.07, 7.75, 128.42 ppm): 3 chemical-shift based assignments, quality = 0.753, support = 3.1, residual support = 5.54: T QG2 VAL 83 - HD1 TRP 87 33.333% * 89.9833% (0.78 10.00 3.11 5.19) = 89.983% kept QD1 ILE 89 - HD1 TRP 87 33.333% * 7.9038% (0.38 1.00 3.66 10.57) = 7.904% kept QD2 LEU 31 - HD1 TRP 87 33.333% * 2.1129% (0.88 1.00 0.42 1.36) = 2.113% kept Peak 228 (0.62, 7.75, 128.42 ppm): 2 chemical-shift based assignments, quality = 0.852, support = 0.97, residual support = 10.2: T QG2 ILE 89 - HD1 TRP 87 50.000% * 92.2227% (0.88 10.00 0.93 10.57) = 92.223% kept QG1 VAL 83 - HD1 TRP 87 50.000% * 7.7773% (0.49 1.00 1.42 5.19) = 7.777% kept Peak 229 (0.56, 7.61, 114.70 ppm): 6 chemical-shift based assignments, quality = 0.373, support = 1.35, residual support = 1.32: T QD1 LEU 63 - HZ2 TRP 87 16.667% * 54.5254% (0.16 10.00 1.72 1.62) = 54.525% kept QD2 LEU 63 - HZ2 TRP 87 16.667% * 23.8919% (0.96 1.00 1.30 1.62) = 23.892% kept T QD1 LEU 73 - HZ2 TRP 87 16.667% * 13.7680% (0.16 10.00 0.43 0.02) = 13.768% kept QG2 VAL 41 - HZ2 TRP 87 16.667% * 5.6461% (0.49 1.00 0.60 0.02) = 5.646% kept QD2 LEU 98 - HZ2 TRP 87 16.667% * 2.0778% (0.24 1.00 0.46 2.43) = 2.078% kept QD1 LEU 80 - HZ2 TRP 87 16.667% * 0.0908% (0.24 1.00 0.02 0.02) = 0.091% Peak 230 (0.03, 7.61, 114.70 ppm): 1 chemical-shift based assignment, quality = 0.164, support = 0.02, residual support = 0.02: QG2 VAL 43 - HZ2 TRP 87 100.000% *100.0000% (0.16 0.02 0.02) = 100.000% kept Not enough support, support cutoff is 0.40 Peak unassigned. Peak 231 (4.57, 7.11, 121.95 ppm): 6 chemical-shift based assignments, quality = 0.554, support = 1.91, residual support = 37.9: HA TRP 49 - HE3 TRP 49 16.667% * 46.2274% (0.43 2.77 69.82) = 46.227% kept HA CYS 50 - HE3 TRP 49 16.667% * 40.1616% (0.73 1.42 12.38) = 40.162% kept HA ALA 47 - HE3 TRP 49 16.667% * 10.1770% (0.55 0.48 6.36) = 10.177% kept HA CYS 21 - HE3 TRP 49 16.667% * 1.8088% (0.20 0.24 0.02) = 1.809% kept HA VAL 108 - HE3 TRP 49 16.667% * 1.1074% (0.38 0.08 0.02) = 1.107% kept HA1 GLY 109 - HE3 TRP 49 16.667% * 0.5178% (0.67 0.02 0.02) = 0.518% Peak 232 (7.36, 7.11, 121.95 ppm): 4 chemical-shift based assignments, quality = 0.97, support = 3.27, residual support = 53.6: HD1 TRP 49 - HE3 TRP 49 25.000% * 76.5558% (1.00 3.99 69.82) = 76.556% kept HD2 HIS 22 - HE3 TRP 49 25.000% * 19.1649% (0.96 1.04 0.94) = 19.165% kept HN LEU 67 - HE3 TRP 49 25.000% * 4.1344% (0.61 0.35 0.02) = 4.134% kept HD21 ASN 35 - HE3 TRP 49 25.000% * 0.1448% (0.38 0.02 0.02) = 0.145% Peak 233 (7.34, 7.18, 125.21 ppm): 5 chemical-shift based assignments, quality = 0.641, support = 2.58, residual support = 55.6: HD1 TRP 49 - HH2 TRP 49 20.000% * 79.4347% (0.67 3.09 69.82) = 79.435% kept HD2 HIS 22 - HH2 TRP 49 20.000% * 14.2321% (0.43 0.86 0.94) = 14.232% kept HN LEU 67 - HH2 TRP 49 20.000% * 3.6450% (1.00 0.09 0.02) = 3.645% kept HN THR 23 - HH2 TRP 49 20.000% * 2.2666% (0.61 0.10 0.02) = 2.267% kept QE PHE 95 - HH2 TRP 49 20.000% * 0.4216% (0.55 0.02 0.02) = 0.422% Peak 234 (4.57, 7.35, 128.88 ppm): 6 chemical-shift based assignments, quality = 0.57, support = 3.8, residual support = 33.2: HA CYS 50 - HD1 TRP 49 16.667% * 43.7106% (0.73 3.55 12.38) = 43.711% kept HA TRP 49 - HD1 TRP 49 16.667% * 38.7415% (0.43 5.31 69.82) = 38.741% kept HA ALA 47 - HD1 TRP 49 16.667% * 11.7531% (0.55 1.27 6.36) = 11.753% kept HA CYS 21 - HD1 TRP 49 16.667% * 3.3405% (0.20 0.99 0.02) = 3.341% kept HA1 GLY 109 - HD1 TRP 49 16.667% * 2.3269% (0.67 0.21 0.02) = 2.327% kept HA VAL 108 - HD1 TRP 49 16.667% * 0.1274% (0.38 0.02 0.02) = 0.127% Peak 235 (0.69, 7.13, 121.44 ppm): 2 chemical-shift based assignments, quality = 0.264, support = 0.757, residual support = 2.13: QD1 LEU 98 - HZ3 TRP 87 50.000% * 87.8207% (0.16 0.86 2.43) = 87.821% kept QG2 ILE 19 - HZ3 TRP 87 50.000% * 12.1793% (0.98 0.02 0.02) = 12.179% kept Peak 236 (0.98, 7.13, 121.44 ppm): 7 chemical-shift based assignments, quality = 0.618, support = 1.32, residual support = 1.43: QG2 ILE 103 - HZ3 TRP 87 14.286% * 33.7904% (0.88 1.03 2.06) = 33.790% kept QD2 LEU 71 - HZ3 TRP 87 14.286% * 29.4139% (0.55 1.45 0.53) = 29.414% kept QD1 ILE 103 - HZ3 TRP 87 14.286% * 27.0593% (0.38 1.94 2.06) = 27.059% kept QD1 LEU 67 - HZ3 TRP 87 14.286% * 7.9914% (0.73 0.30 0.16) = 7.991% kept HG3 LYS+ 74 - HZ3 TRP 87 14.286% * 0.7297% (0.98 0.02 0.02) = 0.730% QG2 ILE 119 - HZ3 TRP 87 14.286% * 0.5186% (0.16 0.08 0.59) = 0.519% QD2 LEU 40 - HZ3 TRP 87 14.286% * 0.4965% (0.67 0.02 0.02) = 0.497% Peak 237 (1.82, 7.13, 121.44 ppm): 9 chemical-shift based assignments, quality = 0.647, support = 0.663, residual support = 0.92: HG12 ILE 103 - HZ3 TRP 87 11.111% * 40.3595% (0.55 1.07 2.06) = 40.359% kept QB LYS+ 66 - HZ3 TRP 87 11.111% * 28.7109% (0.98 0.43 0.11) = 28.711% kept QB LYS+ 102 - HZ3 TRP 87 11.111% * 15.2214% (0.55 0.40 0.02) = 15.221% kept HB2 LEU 71 - HZ3 TRP 87 11.111% * 9.7583% (0.32 0.44 0.53) = 9.758% kept QB LYS+ 65 - HZ3 TRP 87 11.111% * 3.1102% (0.38 0.12 0.02) = 3.110% kept HG2 PRO 93 - HZ3 TRP 87 11.111% * 1.2159% (0.88 0.02 0.02) = 1.216% kept HB VAL 41 - HZ3 TRP 87 11.111% * 1.0784% (0.78 0.02 0.02) = 1.078% kept HG LEU 123 - HZ3 TRP 87 11.111% * 0.2727% (0.20 0.02 0.02) = 0.273% HB3 PRO 52 - HZ3 TRP 87 11.111% * 0.2727% (0.20 0.02 0.02) = 0.273% Peak 239 (9.86, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.325, support = 3.84, residual support = 70.2: HN PHE 95 - QD PHE 95 100.000% *100.0000% (0.32 3.84 70.16) = 100.000% kept Peak 240 (5.96, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.956, support = 3.44, residual support = 70.2: T HA PHE 95 - QD PHE 95 100.000% *100.0000% (0.96 10.00 3.44 70.16) = 100.000% kept Peak 241 (4.29, 7.02, 132.19 ppm): 8 chemical-shift based assignments, quality = 0.673, support = 1.36, residual support = 2.31: HA ASP- 44 - QD PHE 95 12.500% * 71.2155% (0.78 1.70 3.11) = 71.216% kept HA ILE 103 - QD PHE 95 12.500% * 17.9997% (0.49 0.69 0.54) = 18.000% kept HA GLU- 14 - QD PHE 95 12.500% * 7.3587% (0.38 0.37 0.02) = 7.359% kept HA MET 11 - QD PHE 95 12.500% * 0.8937% (0.84 0.02 0.02) = 0.894% HA SER 85 - QD PHE 95 12.500% * 0.7136% (0.67 0.02 0.02) = 0.714% HB THR 77 - QD PHE 95 12.500% * 0.7136% (0.67 0.02 0.02) = 0.714% HA ALA 12 - QD PHE 95 12.500% * 0.5843% (0.55 0.02 0.02) = 0.584% HA ASP- 86 - QD PHE 95 12.500% * 0.5208% (0.49 0.02 0.02) = 0.521% Peak 242 (3.19, 7.02, 132.19 ppm): 1 chemical-shift based assignment, quality = 0.923, support = 3.0, residual support = 70.2: O T HB2 PHE 95 - QD PHE 95 100.000% *100.0000% (0.92 10.0 10.00 3.00 70.16) = 100.000% kept Peak 243 (2.54, 7.02, 132.19 ppm): 2 chemical-shift based assignments, quality = 0.981, support = 2.93, residual support = 68.1: O T HB3 PHE 95 - QD PHE 95 50.000% * 97.0138% (0.98 10.0 10.00 3.00 70.16) = 97.014% kept HG2 GLN 116 - QD PHE 95 50.000% * 2.9862% (1.00 1.0 1.00 0.60 0.02) = 2.986% kept Peak 244 (2.40, 7.02, 132.19 ppm): 5 chemical-shift based assignments, quality = 0.814, support = 3.05, residual support = 23.7: T HB VAL 107 - QD PHE 95 20.000% * 96.4588% (0.84 10.00 3.11 24.55) = 96.459% kept HB3 PHE 45 - QD PHE 95 20.000% * 2.2557% (0.24 1.00 1.66 1.91) = 2.256% kept QE LYS+ 112 - QD PHE 95 20.000% * 1.1813% (0.24 1.00 0.87 0.38) = 1.181% kept QG GLN 32 - QD PHE 95 20.000% * 0.0770% (0.67 1.00 0.02 0.02) = 0.077% QG GLU- 79 - QD PHE 95 20.000% * 0.0272% (0.24 1.00 0.02 0.02) = 0.027% Peak 245 (1.36, 7.02, 132.19 ppm): 10 chemical-shift based assignments, quality = 0.536, support = 0.566, residual support = 1.27: HB3 ASP- 44 - QD PHE 95 10.000% * 33.5406% (0.55 0.83 3.11) = 33.541% kept HB2 LEU 63 - QD PHE 95 10.000% * 18.2178% (0.38 0.66 0.91) = 18.218% kept HB3 PRO 93 - QD PHE 95 10.000% * 17.5511% (1.00 0.24 0.02) = 17.551% kept HG3 LYS+ 106 - QD PHE 95 10.000% * 14.3443% (0.32 0.60 0.11) = 14.344% kept HB3 LEU 80 - QD PHE 95 10.000% * 7.1954% (0.24 0.41 0.36) = 7.195% kept HB2 LYS+ 112 - QD PHE 95 10.000% * 3.0468% (0.20 0.21 0.38) = 3.047% kept HG3 LYS+ 102 - QD PHE 95 10.000% * 2.1067% (0.14 0.21 0.02) = 2.107% kept QB ALA 84 - QD PHE 95 10.000% * 1.4727% (1.00 0.02 0.02) = 1.473% kept HG LEU 98 - QD PHE 95 10.000% * 1.3662% (0.92 0.02 0.02) = 1.366% kept QB ALA 124 - QD PHE 95 10.000% * 1.1584% (0.78 0.02 0.02) = 1.158% kept Peak 246 (1.15, 7.02, 132.19 ppm): 4 chemical-shift based assignments, quality = 0.947, support = 2.47, residual support = 22.4: T QG2 VAL 107 - QD PHE 95 25.000% * 90.8432% (0.98 10.00 2.59 24.55) = 90.843% kept HG2 LYS+ 121 - QD PHE 95 25.000% * 4.6593% (0.73 1.00 1.38 1.29) = 4.659% kept HG13 ILE 103 - QD PHE 95 25.000% * 3.3414% (0.61 1.00 1.19 0.54) = 3.341% kept QB ALA 20 - QD PHE 95 25.000% * 1.1561% (0.20 1.00 1.26 0.45) = 1.156% kept Peak 247 (0.59, 7.02, 132.19 ppm): 5 chemical-shift based assignments, quality = 0.944, support = 1.25, residual support = 2.63: T QD2 LEU 115 - QD PHE 95 20.000% * 79.7329% (0.98 10.00 1.24 3.15) = 79.733% kept QD1 LEU 63 - QD PHE 95 20.000% * 9.8040% (0.78 1.00 1.92 0.91) = 9.804% kept QD2 LEU 80 - QD PHE 95 20.000% * 4.5255% (0.96 1.00 0.72 0.36) = 4.526% kept QD1 LEU 104 - QD PHE 95 20.000% * 3.6916% (0.67 1.00 0.85 0.15) = 3.692% kept QD1 LEU 73 - QD PHE 95 20.000% * 2.2459% (0.78 1.00 0.44 0.45) = 2.246% kept Peak 248 (0.38, 7.02, 132.19 ppm): 3 chemical-shift based assignments, quality = 0.503, support = 1.43, residual support = 1.6: T QB ALA 47 - QD PHE 95 33.333% * 77.7146% (0.55 10.00 1.62 1.90) = 77.715% kept T QG1 VAL 42 - QD PHE 95 33.333% * 18.6089% (0.38 10.00 0.56 0.12) = 18.609% kept QB ALA 64 - QD PHE 95 33.333% * 3.6765% (0.24 1.00 1.77 2.66) = 3.676% kept Peak 249 (3.70, 6.83, 120.22 ppm): 5 chemical-shift based assignments, quality = 0.385, support = 2.06, residual support = 3.03: HA ILE 119 - HD2 HIS 122 20.000% * 48.5642% (0.49 2.45 4.00) = 48.564% kept HA THR 118 - HD2 HIS 122 20.000% * 27.9856% (0.28 2.48 3.43) = 27.986% kept HA VAL 75 - HD2 HIS 122 20.000% * 11.0085% (0.28 0.97 1.17) = 11.009% kept HB2 TRP 49 - HD2 HIS 122 20.000% * 9.5684% (0.38 0.63 0.02) = 9.568% kept HA ALA 84 - HD2 HIS 122 20.000% * 2.8734% (0.16 0.43 0.02) = 2.873% kept Peak 250 (3.47, 6.83, 120.22 ppm): 2 chemical-shift based assignments, quality = 0.205, support = 2.67, residual support = 47.6: O T HB2 HIS 122 - HD2 HIS 122 50.000% * 97.9500% (0.20 10.0 10.00 2.72 48.56) = 97.950% kept HA LYS+ 112 - HD2 HIS 122 50.000% * 2.0500% (0.55 1.0 1.00 0.15 0.15) = 2.050% kept Peak 251 (2.76, 6.83, 120.22 ppm): 3 chemical-shift based assignments, quality = 0.886, support = 3.53, residual support = 47.6: O T HB3 HIS 122 - HD2 HIS 122 33.333% * 92.4720% (0.92 10.0 10.00 3.54 48.56) = 92.472% kept QE LYS+ 121 - HD2 HIS 122 33.333% * 7.5001% (0.43 1.0 1.00 3.49 35.57) = 7.500% kept HB3 ASP- 78 - HD2 HIS 122 33.333% * 0.0279% (0.28 1.0 1.00 0.02 0.02) = 0.028% Peak 252 (1.88, 6.83, 120.22 ppm): 9 chemical-shift based assignments, quality = 0.796, support = 0.236, residual support = 0.328: HB3 GLN 30 - HD2 HIS 122 11.111% * 76.1429% (0.84 0.30 0.42) = 76.143% kept HB3 LYS+ 38 - HD2 HIS 122 11.111% * 5.9608% (1.00 0.02 0.02) = 5.961% kept HB ILE 56 - HD2 HIS 122 11.111% * 5.7271% (0.96 0.02 0.02) = 5.727% kept HB2 MET 92 - HD2 HIS 122 11.111% * 3.6335% (0.61 0.02 0.02) = 3.634% kept QB LYS+ 106 - HD2 HIS 122 11.111% * 2.2484% (0.38 0.02 0.02) = 2.248% kept QB LYS+ 81 - HD2 HIS 122 11.111% * 1.9449% (0.32 0.02 0.02) = 1.945% kept HB3 PRO 58 - HD2 HIS 122 11.111% * 1.9449% (0.32 0.02 0.02) = 1.945% kept HB3 GLN 90 - HD2 HIS 122 11.111% * 1.4123% (0.24 0.02 0.02) = 1.412% kept QB LYS+ 33 - HD2 HIS 122 11.111% * 0.9853% (0.16 0.02 0.02) = 0.985% Not enough support, support cutoff is 0.40 Peak unassigned. Peak 253 (1.67, 6.83, 120.22 ppm): 7 chemical-shift based assignments, quality = 0.751, support = 3.88, residual support = 28.7: HB2 LYS+ 121 - HD2 HIS 122 14.286% * 67.4666% (0.84 4.62 35.57) = 67.467% kept HB2 LEU 123 - HD2 HIS 122 14.286% * 16.4620% (0.24 4.00 28.82) = 16.462% kept QD LYS+ 38 - HD2 HIS 122 14.286% * 13.0408% (1.00 0.75 0.02) = 13.041% kept QD LYS+ 65 - HD2 HIS 122 14.286% * 1.4292% (0.88 0.09 0.02) = 1.429% kept QD LYS+ 102 - HD2 HIS 122 14.286% * 1.1701% (0.55 0.12 0.02) = 1.170% kept HB VAL 83 - HD2 HIS 122 14.286% * 0.3341% (0.96 0.02 0.02) = 0.334% HG3 PRO 93 - HD2 HIS 122 14.286% * 0.0972% (0.28 0.02 0.02) = 0.097% Peak 254 (1.53, 6.83, 120.22 ppm): 5 chemical-shift based assignments, quality = 0.975, support = 3.11, residual support = 23.0: HB3 LYS+ 121 - HD2 HIS 122 20.000% * 63.8273% (1.00 4.18 35.57) = 63.827% kept HG LEU 104 - HD2 HIS 122 20.000% * 23.6320% (1.00 1.55 0.91) = 23.632% kept HD3 LYS+ 74 - HD2 HIS 122 20.000% * 9.8407% (0.88 0.73 0.43) = 9.841% kept HB3 LYS+ 111 - HD2 HIS 122 20.000% * 1.9586% (0.92 0.14 0.02) = 1.959% kept QD LYS+ 66 - HD2 HIS 122 20.000% * 0.7413% (0.49 0.10 0.02) = 0.741% Peak 255 (0.98, 6.83, 120.22 ppm): 5 chemical-shift based assignments, quality = 0.391, support = 0.948, residual support = 0.979: T HB VAL 75 - HD2 HIS 122 20.000% * 79.8547% (0.28 10.00 1.10 1.17) = 79.855% kept HG3 LYS+ 74 - HD2 HIS 122 20.000% * 10.2232% (0.78 1.00 0.50 0.43) = 10.223% kept QG2 ILE 103 - HD2 HIS 122 20.000% * 6.4854% (0.92 1.00 0.27 0.02) = 6.485% kept QD2 LEU 40 - HD2 HIS 122 20.000% * 2.9157% (1.00 1.00 0.11 0.02) = 2.916% kept QD1 LEU 67 - HD2 HIS 122 20.000% * 0.5210% (1.00 1.00 0.02 0.02) = 0.521% Peak 257 (0.84, 6.83, 120.22 ppm): 4 chemical-shift based assignments, quality = 0.34, support = 2.78, residual support = 20.0: QD1 LEU 123 - HD2 HIS 122 25.000% * 36.3563% (0.20 3.83 28.82) = 36.356% kept QD2 LEU 123 - HD2 HIS 122 25.000% * 32.2216% (0.20 3.40 28.82) = 32.222% kept HB3 LEU 104 - HD2 HIS 122 25.000% * 30.6450% (0.67 0.96 0.91) = 30.645% kept QD1 LEU 71 - HD2 HIS 122 25.000% * 0.7771% (0.20 0.08 0.52) = 0.777% Peak 258 (0.24, 6.83, 120.22 ppm): 1 chemical-shift based assignment, quality = 0.43, support = 0.889, residual support = 3.43: T QG2 THR 118 - HD2 HIS 122 100.000% *100.0000% (0.43 10.00 0.89 3.43) = 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): 9 chemical-shift based assignments, quality = 0.849, support = 0.834, residual support = 0.744: HB VAL 42 - HE3 TRP 27 11.111% * 40.3877% (0.94 1.14 1.39) = 40.388% kept HG3 LYS+ 102 - HE3 TRP 27 11.111% * 23.1317% (0.82 0.75 0.46) = 23.132% kept HB2 LYS+ 112 - HE3 TRP 27 11.111% * 19.4086% (0.71 0.72 0.38) = 19.409% kept HG3 LYS+ 33 - HE3 TRP 27 11.111% * 14.6131% (0.98 0.40 0.02) = 14.613% kept HG3 LYS+ 65 - HE3 TRP 27 11.111% * 0.7060% (0.94 0.02 0.02) = 0.706% HB3 LEU 73 - HE3 TRP 27 11.111% * 0.6517% (0.87 0.02 2.75) = 0.652% QB ALA 12 - HE3 TRP 27 11.111% * 0.4926% (0.65 0.02 0.02) = 0.493% HG3 LYS+ 106 - HE3 TRP 27 11.111% * 0.4033% (0.54 0.02 0.02) = 0.403% QB LEU 98 - HE3 TRP 27 11.111% * 0.2053% (0.27 0.02 0.02) = 0.205% Peaks: selected : 244 with diagonal assignment : 32 without assignment possibility : 9 with one assignment possibility : 34 with multiple assignment possibilities : 169 with given assignment possibilities : 0 with unique volume contribution : 57 with multiple volume contributions : 146 eliminated by violation filter : 0 Peaks: selected : 244 without assignment : 27 with assignment : 217 with unique assignment : 84 with multiple assignment : 133 with reference assignment : 32 with identical reference assignment : 32 with compatible reference assignment : 0 with incompatible reference assignment : 0 with additional reference assignment : 0 with additional assignment : 185 Atoms with eliminated volume contribution > 2.5: QE PHE 95 3.0