Peak 2 from nnoeabs.peaks (4.36, 8.23, 121.37 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 11 + H ASP 12 OK 100 100 - 100 - 3.6=100 Peak 3 from nnoeabs.peaks (3.85, 8.23, 121.37 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 11 + H ASP 12 OK 100 100 - 100 - 4.6=100 Peak 4 from nnoeabs.peaks (3.79, 8.23, 121.37 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 11 + H ASP 12 OK 100 100 - 100 - 4.6=100 Peak 6 from nnoeabs.peaks (4.60, 8.09, 119.08 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 12 + H ASN 13 OK 100 100 - 100 - 3.6=100 HA ASN 13 + H ASN 13 OK 93 93 - 100 - 3.0=100 Peak 7 from nnoeabs.peaks (2.67, 8.09, 119.08 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 12 + H ASN 13 OK 100 100 - 100 - 4.6=100 Peak 8 from nnoeabs.peaks (2.62, 8.09, 119.08 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 12 + H ASN 13 OK 100 100 - 100 - 4.6=100 Peak 9 from nnoeabs.peaks (8.09, 8.39, 118.50 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + H ASN 14 OK 100 100 - 100 - 4.6=100 Peak 10 from nnoeabs.peaks (4.62, 8.39, 118.50 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.75: * HA ASN 13 + H ASN 14 OK 75 100 - 75 - 3.6=68, 3.0/12=10...(4) HA ASP 56 - H ASN 14 lone 2 100 - 2 - HA ASP 12 - H ASN 14 lone 1 93 - 1 - Peak 11 from nnoeabs.peaks (2.53, 8.39, 118.50 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASN 14 + H ASN 14 OK 92 99 - 93 - 4.0=91, 4.6/7168=8...(4) * HB2 ASN 13 + H ASN 14 OK 80 100 - 80 - 4.6=60, 3.0/10=34, 1.8/12=20 HB2 TRP 82 - H ASN 14 OK 13 96 - 13 - 4.0/7167=7, 4.3/7167=6 HB3 ASN 43 - H ASN 14 lone 1 76 - 1 - Peak 12 from nnoeabs.peaks (2.71, 8.39, 118.50 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.98: * HB3 ASN 13 + H ASN 14 OK 98 100 - 98 - 4.6=96, 3.0/10=42...(4) HB3 ASP 72 - H ASN 14 OK 17 100 - 17 - 4.1/7167=8, 6295/4.0=4...(4) HB2 ASP 81 - H ASN 14 OK 13 100 - 13 - 4.4/7167=8, 4559/4.6=1 HB3 ASN 24 - H ASN 14 lone 6 99 - 6 - 4.4/72=1, 1528=1, 4559/4.6=1 HB3 PHE 17 - H ASN 14 lone 5 100 - 5 - 4559/4.6=2 Peak 16 from nnoeabs.peaks (4.90, 8.46, 118.65 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 14 + H THR 15 OK 100 100 - 100 - 3.6=100 Peak 18 from nnoeabs.peaks (2.52, 8.46, 118.65 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + H THR 15 OK 100 100 - 100 - 4.6=100 Peak 21 from nnoeabs.peaks (8.46, 8.81, 118.72 ppm; 4.41 A): 2 out of 11 assignments used, quality = 0.99: * H THR 15 + H ILE 16 OK 97 100 - 97 - 4.6=86, 3.0/22=42...(15) H ALA 98 + H ILE 16 OK 67 85 - 79 - 6996/3.0=27, 6983/4.6=20...(11) H ASP 71 - H ILE 16 OK 43 100 - 43 - 4.4/4614=21, 4.6/6216=16...(5) H THR 67 - H ILE 16 OK 39 63 - 62 - 3.0/4612=30, 4.6/4637=18...(7) H LEU 21 - H ILE 16 OK 34 95 - 36 - 4.7/623=6, 4797/3.6=6...(11) H THR 42 - H ILE 16 OK 23 90 - 25 - 1094=5, 4.6/622=3...(8) H PHE 83 - H ILE 16 OK 10 76 - 14 - 6.4/4613=3, 6609/4.0=2...(5) H ASP 72 - H ILE 16 poor 10 78 - 12 - 6300/4614=4, 6301/4637=1 H ILE 93 - H ILE 16 lone 8 100 - 8 - 4.9/7169=1 H GLY 60 - H ILE 16 lone 6 78 - 8 - 267/4.6=2, 4.2/622=1, 4.6/4637=1 H GLY 90 - H ILE 16 lone 1 81 - 1 - Peak 22 from nnoeabs.peaks (5.54, 8.81, 118.72 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.78: * HA THR 15 + H ILE 16 OK 78 100 - 79 - 3.6=55, 3.2/4046=13...(17) HA GLU 65 - H ILE 16 lone 5 73 - 6 - 4622/4.0=1, 4616/3.0=1 Peak 23 from nnoeabs.peaks (4.13, 8.81, 118.72 ppm; 4.36 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 15 + H ILE 16 OK 100 100 - 100 - 4.4=99, 3.0/22=41...(10) HB THR 67 - H ILE 16 OK 40 60 - 66 - 3.0/4612=29, 4.4/4637=18...(9) HB2 SER 96 - H ILE 16 OK 14 78 - 18 - 6932/4.6=14, 6949/4.0=3 HA VAL 25 - H ILE 16 OK 11 85 - 13 - 4896/4.6=2, 3.2/620=2...(5) HA THR 99 - H ILE 16 lone 9 99 - 9 - 7030/6985=5, 6998/6995=1 HA GLU 23 - H ILE 16 lone 5 90 - 6 - 3.0/4637=2, 4860/4.0=1 HA GLN 36 - H ILE 16 lone 5 100 - 5 - 5248/4.0=1 HA3 GLY 22 - H ILE 16 lone 5 78 - 6 - 3.6/4637=2 HA ALA 78 - H ILE 16 lone 5 68 - 7 - 3.6/4637=2, 6451/4.0=1 Peak 24 from nnoeabs.peaks (1.16, 8.81, 118.72 ppm; 3.15 A): 5 out of 6 assignments used, quality = 0.92: * QG2 THR 15 + H ILE 16 OK 78 100 - 78 - 4.1=46, 3.2/22=23...(16) HG13 ILE 27 + H ILE 16 OK 27 100 - 27 - 2.8/4094=4, 4097=4...(8) HB2 LEU 21 + H ILE 16 OK 24 100 - 24 - 3.1/623=5, ~4580=3...(9) HB3 LEU 21 + H ILE 16 OK 24 100 - 24 - 3.1/623=5, ~4580=3...(9) HG13 ILE 37 + H ILE 16 OK 11 78 - 14 - 1.8/7169=4, 3.2/620=2 QG2 THR 46 - H ILE 16 lone 1 63 - 2 - Peak 25 from nnoeabs.peaks (8.81, 9.54, 123.74 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 16 + H PHE 17 OK 100 100 - 100 - 4.6=100 Peak 26 from nnoeabs.peaks (5.18, 9.54, 123.74 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.90: * HA ILE 16 + H PHE 17 OK 88 100 - 88 - 3.6=70, 3.0/4048=19...(15) HA LYS 94 + H PHE 17 OK 11 99 - 11 - 6935/6931=3, 6888/6930=1 Peak 27 from nnoeabs.peaks (1.86, 9.54, 123.74 ppm; 3.44 A): 2 out of 11 assignments used, quality = 0.88: * HB ILE 16 + H PHE 17 OK 86 100 - 86 - 4.4=46, 3.0/4047=27...(15) HB ILE 37 + H PHE 17 OK 15 100 - 15 - 4048=5, 2.1/4049=3...(4) HB ILE 27 - H PHE 17 lone 9 99 - 9 - 4094/4.6=3 HB2 PRO 74 - H PHE 17 lone 6 81 - 7 - ~6342=2, 4663/2.9=2, 4786/6.5=1 HB2 LYS 61 - H PHE 17 lone 5 83 - 6 - 3.0/4656=1 HB2 LYS 63 - H PHE 17 lone 4 76 - 6 - 7105/4.0=2 HD3 LYS 77 - H PHE 17 lone 4 98 - 4 - 6426/6546=2 HB2 LYS 44 - H PHE 17 lone 2 100 - 2 - HB3 LYS 44 - H PHE 17 lone 2 100 - 2 - HB2 PRO 92 - H PHE 17 lone 1 98 - 1 - HB2 GLU 87 - H PHE 17 lone 1 68 - 1 - Peak 28 from nnoeabs.peaks (0.83, 9.54, 123.74 ppm; 3.85 A): 1 out of 8 assignments used, quality = 0.96: * QG2 ILE 16 + H PHE 17 OK 96 100 - 96 - 4.4=69, 2.1/4048=34...(19) QG2 ILE 80 - H PHE 17 OK 31 93 - 33 - 3.0/6546=15, 3.2/4673=4...(10) QG2 ILE 37 - H PHE 17 OK 18 85 - 21 - 4049=5, 2.1/27=4...(8) QG1 VAL 30 - H PHE 17 OK 10 97 - 10 - 620/4.6=2, 5111/6546=1 QD2 LEU 62 - H PHE 17 lone 9 99 - 9 - 2.1/4671=2, 4.0/4656=1 QG2 VAL 30 - H PHE 17 poor 9 89 - 10 - 5108/6546=2, 620/4.6=1 QG2 ILE 40 - H PHE 17 lone 8 93 - 8 - 620/4.6=2, 1320/4052=1 QG2 VAL 25 - H PHE 17 lone 6 96 - 6 - 620/4.6=1, 4904/6930=1 Peak 29 from nnoeabs.peaks (1.29, 9.54, 123.74 ppm; 4.10 A): 2 out of 5 assignments used, quality = 0.98: * HG12 ILE 16 + H PHE 17 OK 95 100 - 95 - 4.9=58, 3.0/4048=31...(15) QB ALA 98 + H PHE 17 OK 65 76 - 86 - 2.9/6983=30, 6987=25...(15) QG2 THR 26 - H PHE 17 lone 7 73 - 9 - 4918/4.6=3, 4666/2.9=1...(4) HG13 ILE 39 - H PHE 17 lone 7 100 - 6 - 621/4.6=2, 1286/3.6=1 HG3 LYS 35 - H PHE 17 lone 5 76 - 6 - 4666/2.9=1, 4677/4.0=1 Peak 30 from nnoeabs.peaks (1.22, 9.54, 123.74 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.98: * HG13 ILE 16 + H PHE 17 OK 98 100 - 98 - 4.9=79, 3.0/4048=36...(13) HB3 LYS 41 - H PHE 17 poor 10 76 - 12 - 622/4.6=3, 1.8/4673=2...(5) QG2 THR 59 - H PHE 17 lone 3 100 - 3 - 622/4.6=1 Peak 31 from nnoeabs.peaks (0.26, 9.54, 123.74 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.97: * QD1 ILE 16 + H PHE 17 OK 97 100 - 97 - 4052=47, 3.2/4048=35...(17) QD1 LEU 21 - H PHE 17 OK 29 71 - 41 - 7032/2.9=8, 1302/4.4=7...(13) Peak 32 from nnoeabs.peaks (9.54, 8.94, 127.85 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + H VAL 18 OK 100 100 - 100 - 4.6=100 Peak 33 from nnoeabs.peaks (5.41, 8.94, 127.85 ppm; 2.79 A): 1 out of 2 assignments used, quality = 0.75: * HA PHE 17 + H VAL 18 OK 75 100 - 75 - 3.6=48, 3.7/39=12...(13) HA ASP 72 - H VAL 18 lone 5 83 - 6 - 3.0/35=1 Peak 34 from nnoeabs.peaks (2.82, 8.94, 127.85 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 17 + H VAL 18 OK 100 100 - 100 - 4.4=100 Peak 35 from nnoeabs.peaks (2.71, 8.94, 127.85 ppm; 4.38 A): 1 out of 5 assignments used, quality = 0.99: * HB3 PHE 17 + H VAL 18 OK 99 100 - 99 - 4.4=97, 3.0/33=42...(10) HB3 ASN 13 - H VAL 18 OK 13 100 - 13 - 4.0/4684=3, 1.8/4508=3...(5) HB3 ASP 72 - H VAL 18 OK 12 98 - 12 - 627/4.6=3, 3.0/33=3...(5) HB3 ASN 24 - H VAL 18 lone 3 96 - 3 - HB2 ASP 81 - H VAL 18 lone 3 99 - 3 - Peak 38 from nnoeabs.peaks (7.02, 8.94, 127.85 ppm; 4.91 A): 4 out of 7 assignments used, quality = 0.94: * QE PHE 17 + H VAL 18 OK 81 100 - 81 - 2.2/39=47, 4649/3.6=28...(7) HZ PHE 17 + H VAL 18 OK 57 87 - 65 - 3.8/39=37, 5.8/35=16...(8) HD21 ASN 13 + H VAL 18 OK 19 100 - 19 - 4517/4710=6, 3.5/35=3...(5) HE22 GLN 19 + H VAL 18 OK 18 99 - 18 - 3.5/634=8, 6.6/40=8, 1330/3.6=2 HZ3 TRP 82 - H VAL 18 lone 3 81 - 4 - HD22 ASN 91 - H VAL 18 lone 3 90 - 3 - HD21 ASN 24 - H VAL 18 lone 2 81 - 3 - Peak 39 from nnoeabs.peaks (7.11, 8.94, 127.85 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.86: * QD PHE 17 + H VAL 18 OK 86 100 - 86 - 4.5=56, 3.7/33=28...(13) HH2 TRP 82 - H VAL 18 lone 2 60 - 3 - Peak 40 from nnoeabs.peaks (8.94, 8.72, 122.18 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.96: * H VAL 18 + H GLN 19 OK 89 100 - 89 - 4.7=61, 3.0/4059=34...(8) H SER 96 + H GLN 19 OK 64 99 - 65 - 6936=22, 6944/4.1=20...(12) H ALA 66 - H GLN 19 OK 45 90 - 50 - 6033/4.1=15, 7141/2.9=10...(12) H ASP 56 - H GLN 19 lone 7 99 - 7 - 6033/4.1=2 H PHE 70 - H GLN 19 lone 3 68 - 4 - 1387/4.1=1 Peak 41 from nnoeabs.peaks (4.96, 8.72, 122.18 ppm; 2.64 A): 2 out of 4 assignments used, quality = 0.70: * HA VAL 18 + H GLN 19 OK 62 100 - 62 - 3.6=40, 3.2/44=13...(8) HA VAL 95 + H GLN 19 OK 19 100 - 19 - 3.2/6929=7, 3.6/6936=6...(7) HA ASN 52 - H GLN 19 lone 4 76 - 5 - 2.9/4745=3 HA ASN 24 - H GLN 19 lone 1 96 - 1 - Peak 42 from nnoeabs.peaks (1.64, 8.72, 122.18 ppm; 3.50 A): 2 out of 8 assignments used, quality = 0.96: * HB VAL 18 + H GLN 19 OK 87 100 - 87 - 4.3=54, 2.1/44=32...(11) HG3 GLN 19 + H GLN 19 OK 66 97 - 68 - 5.2=31, 3.0/640=27...(6) HG12 ILE 40 - H GLN 19 OK 15 100 - 15 - 2025=3, 2.1/2039=3...(5) HG12 ILE 27 - H GLN 19 lone 6 81 - 7 - 3.8/4410=2, 3.2/4930=1 HB2 MET 50 - H GLN 19 lone 3 95 - 3 - HD3 LYS 41 - H GLN 19 lone 1 97 - 1 - HD2 LYS 41 - H GLN 19 lone 1 97 - 1 - HB3 LYS 61 - H GLN 19 lone 1 81 - 2 - Peak 43 from nnoeabs.peaks (0.87, 8.72, 122.18 ppm; 3.05 A): 4 out of 8 assignments used, quality = 0.85: * QG1 VAL 18 + H GLN 19 OK 77 100 - 77 - 4.1=42, 2.1/44=24...(14) QD1 ILE 51 + H GLN 19 OK 19 100 - 19 - 5708=5, 4753/4.6=2...(6) QG2 ILE 39 + H GLN 19 OK 12 90 - 13 - 4152=4, 3.2/4150=2...(6) QG2 VAL 30 + H GLN 19 OK 12 76 - 16 - 2.1/4108=2, 2.1/4110=2...(5) QG2 ILE 80 - H GLN 19 poor 8 68 - 11 - 3.0/4729=4, ~6531=1, 6905/6929=1 QG1 VAL 30 - H GLN 19 poor 7 60 - 12 - 2.1/4108=2, 2.1/4109=2...(5) QG2 THR 42 - H GLN 19 lone 3 100 - 2 - QG2 ILE 37 - H GLN 19 lone 2 81 - 3 - Peak 44 from nnoeabs.peaks (0.67, 8.72, 122.18 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.91: * QG2 VAL 18 + H GLN 19 OK 91 100 - 91 - 4.1=68, 3.2/4059=27...(12) Peak 45 from nnoeabs.peaks (8.72, 8.21, 109.03 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + H GLY 20 OK 100 100 - 100 - 4.6=100 Peak 46 from nnoeabs.peaks (4.76, 8.21, 109.03 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.81: * HA GLN 19 + H GLY 20 OK 81 100 - 81 - 3.6=61, 2.9/48=17...(10) HA PHE 97 - H GLY 20 lone 7 98 - 7 - 4796/4.6=3, 3.6/1072=1 HA TYR 54 - H GLY 20 lone 3 95 - 3 - 6005/4764=2 Peak 47 from nnoeabs.peaks (2.11, 8.21, 109.03 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.87: * HB2 GLN 19 + H GLY 20 OK 83 100 - 83 - 4.6=44, 1.8/48=30...(8) HG3 GLU 65 + H GLY 20 OK 24 73 - 33 - 3.9/4764=14, 1.8/3666=5...(7) HB3 LYS 77 - H GLY 20 lone 5 99 - 5 - 1.8/49=1, 6421/4751=1 HG2 PRO 74 - H GLY 20 lone 2 99 - 2 - HB2 GLN 36 - H GLY 20 lone 2 100 - 2 - HB2 GLU 58 - H GLY 20 lone 1 85 - 1 - Peak 48 from nnoeabs.peaks (1.76, 8.21, 109.03 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.90: * HB3 GLN 19 + H GLY 20 OK 90 100 - 90 - 4.6=59, 2.9/46=33...(8) HG2 LYS 35 - H GLY 20 lone 2 100 - 2 - 640/4.6=1 HD2 LYS 35 - H GLY 20 lone 2 89 - 2 - Peak 49 from nnoeabs.peaks (1.97, 8.21, 109.03 ppm; 4.27 A): 4 out of 11 assignments used, quality = 0.94: * HG2 GLN 19 + H GLY 20 OK 85 100 - 85 - 3.0/48=33, 4.1/46=29...(9) HB2 GLU 65 + H GLY 20 OK 44 100 - 44 - 3.0/4764=26, 3.0/47=8...(7) HB3 GLU 28 + H GLY 20 OK 22 100 - 22 - 4101=6, 1.8/4100=4...(6) HB VAL 25 + H GLY 20 OK 15 87 - 18 - 4908/4750=3, ~4905=3...(9) HB2 LYS 77 - H GLY 20 lone 9 100 - 9 - 1.8/47=2, 641/4.6=1 HG3 PRO 74 - H GLY 20 lone 5 98 - 5 - 4101=1 HG2 PRO 49 - H GLY 20 lone 3 63 - 5 - 5742/4753=1 HB VAL 95 - H GLY 20 lone 3 60 - 5 - 641/4.6=3 HB2 LYS 45 - H GLY 20 lone 1 71 - 1 - HB3 LYS 45 - H GLY 20 lone 1 71 - 1 - HG3 PRO 73 - H GLY 20 lone 1 71 - 1 - Peak 50 from nnoeabs.peaks (1.65, 8.21, 109.03 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.92: * HG3 GLN 19 + H GLY 20 OK 87 100 - 88 - 3.0/48=37, 4.1/46=32...(9) HB VAL 18 + H GLY 20 OK 38 97 - 39 - 4.3/1071=16, 2.1/4753=11...(7) HB2 MET 50 - H GLY 20 OK 14 100 - 14 - 5677/2.9=5, ~5679=3, 2.9/4352=1 HG12 ILE 40 - H GLY 20 OK 14 99 - 14 - 2.1/4752=3, 42/4.6=2...(5) HG12 ILE 27 - H GLY 20 OK 13 97 - 13 - 3.8/4406=5, 4.6/1136=3 QB ALA 79 - H GLY 20 OK 11 81 - 14 - 6459/4.6=2, 642/4.6=2...(5) HD2 LYS 41 - H GLY 20 lone 2 81 - 3 - HD3 LYS 41 - H GLY 20 lone 2 81 - 3 - HB3 LYS 61 - H GLY 20 lone 2 97 - 2 - Peak 53 from nnoeabs.peaks (8.21, 8.47, 117.63 ppm; 3.33 A): 4 out of 8 assignments used, quality = 0.82: * H GLY 20 + H LEU 21 OK 67 100 - 67 - 4.6=37, 2.9/54=11...(12) H GLY 20 + H ILE 93 OK 26 51 - 51 - 1072=16, ~4766=9...(8) H GLU 87 + H LEU 21 OK 18 83 - 21 - 6693=3, 4.6/6699=3...(9) H SER 29 + H LEU 21 OK 11 90 - 12 - 4781/4.7=3, 4846/4.6=2...(6) H GLU 87 - H ILE 93 poor 9 36 - 26 - 4.6/6699=5, 6800/4.0=3...(10) H ASP 12 - H LEU 21 lone 4 92 - 4 - H SER 29 - H ILE 93 lone 2 41 - 4 - 6800/4.0=1 H ASP 12 - H ILE 93 lone 1 42 - 1 - Peak 54 from nnoeabs.peaks (3.74, 8.47, 117.63 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.99: * HA2 GLY 20 + H LEU 21 OK 97 100 - 97 - 3.6=96, 2.9/1072=15...(5) HA2 GLY 64 + H LEU 21 OK 50 99 - 51 - 5980=10, 1.8/4798=10...(9) HA2 GLY 20 - H ILE 93 OK 32 51 - 63 - 4765/3.0=24, ~4766=16...(8) HA VAL 30 - H LEU 21 OK 23 97 - 24 - 5105/4.7=6, 5104/4.7=6...(7) HA2 GLY 64 - H ILE 93 poor 9 48 - 20 - 5980=4, 6830/3.0=3...(6) HA VAL 30 - H ILE 93 poor 5 47 - 11 - 6830/3.0=4, 6859/4.7=2 HB THR 42 - H LEU 21 lone 3 100 - 3 - 2140=1 HB THR 42 - H ILE 93 lone 3 50 - 6 - 2140=2, 2.1/2144=2 HA2 GLY 60 - H LEU 21 lone 1 57 - 2 - HA2 GLY 60 - H ILE 93 lone 0 23 - 1 - Peak 55 from nnoeabs.peaks (4.53, 8.47, 117.63 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 20 + H LEU 21 OK 100 100 - 100 - 3.6=100 Peak 56 from nnoeabs.peaks (8.47, 8.00, 104.72 ppm; 3.39 A): 3 out of 9 assignments used, quality = 0.85: * H LEU 21 + H GLY 22 OK 77 100 - 77 - 4.6=39, 2.9/57=24...(12) H ILE 93 + H GLY 22 OK 23 96 - 24 - 4.0/6801=4, 4.7/4847=3...(9) H ALA 98 + H GLY 22 OK 14 99 - 14 - 7012/4.6=3, 7012/4.6=3...(5) H PHE 83 - H GLY 22 lone 9 97 - 9 - 6603/60=2, 6603/60=1 H THR 15 - H GLY 22 lone 8 95 - 9 - 616/4.6=2, 616/4.6=2 H THR 42 - H GLY 22 lone 4 100 - 4 - H ASP 72 - H GLY 22 lone 3 98 - 3 - H ASP 71 - H GLY 22 lone 3 87 - 3 - H TRP 82 - H GLY 22 lone 2 71 - 3 - Peak 57 from nnoeabs.peaks (3.69, 8.00, 104.72 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.89: * HA LEU 21 + H GLY 22 OK 89 100 - 89 - 3.6=76, 2.9/56=13...(10) HB2 SER 69 - H GLY 22 lone 5 97 - 6 - 6190/4.6=1, 6190/4.6=1 HD3 PRO 49 - H GLY 22 lone 5 81 - 6 - 2.3/4827=1 HD2 PRO 74 - H GLY 22 lone 3 100 - 3 - HA2 GLY 47 - H GLY 22 lone 1 92 - 1 - Peak 58 from nnoeabs.peaks (1.16, 8.00, 104.72 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.97: * HB2 LEU 21 + H GLY 22 OK 83 100 - 83 - 4.6=46, 2.9/57=26...(13) HB3 LEU 21 + H GLY 22 OK 83 100 - 83 - 4.6=46, 2.9/57=26...(13) HG13 ILE 27 - H GLY 22 lone 8 100 - 8 - 3.2/4932=2 QG2 THR 15 - H GLY 22 lone 7 100 - 7 - 4.0/56=1, 651/4.6=1 HG13 ILE 37 - H GLY 22 lone 7 78 - 8 - 4.0/4835=1, 5322/4.6=1 QG2 THR 46 - H GLY 22 lone 1 63 - 1 - Peak 59 from nnoeabs.peaks (1.15, 8.00, 104.72 ppm; 3.59 A): 2 out of 6 assignments used, quality = 0.97: * HB3 LEU 21 + H GLY 22 OK 84 100 - 84 - 4.6=46, 2.9/57=27...(13) HB2 LEU 21 + H GLY 22 OK 84 100 - 84 - 4.6=46, 2.9/57=27...(13) HG13 ILE 27 - H GLY 22 lone 8 99 - 8 - 3.2/4932=2 QG2 THR 15 - H GLY 22 lone 7 100 - 7 - 4.0/56=1, 651/4.6=1 HG13 ILE 37 - H GLY 22 lone 6 73 - 8 - 4.0/4835=1, 5322/4.6=1 QG2 THR 46 - H GLY 22 lone 1 68 - 1 - Peak 60 from nnoeabs.peaks (1.10, 8.00, 104.72 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.79: * HG LEU 21 + H GLY 22 OK 72 100 - 72 - 2.1/61=21, 1442/3.6=21...(12) QG2 VAL 95 + H GLY 22 OK 25 100 - 25 - 1442/3.6=7, 652/4.6=4...(10) QG2 THR 99 - H GLY 22 lone 2 78 - 3 - QG2 THR 46 - H GLY 22 lone 1 65 - 2 - Peak 61 from nnoeabs.peaks (-0.19, 8.00, 104.72 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.90: * QD2 LEU 21 + H GLY 22 OK 85 100 - 85 - 2.1/60=29, 1443/3.6=28...(17) QD1 ILE 80 + H GLY 22 OK 35 99 - 36 - 1443/3.6=8, 653/4.6=5...(12) Peak 62 from nnoeabs.peaks (0.28, 8.00, 104.72 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.94: * QD1 LEU 21 + H GLY 22 OK 90 100 - 91 - 2.1/60=32, 4.0/57=31...(19) QG2 VAL 68 + H GLY 22 OK 37 93 - 40 - 3.2/4835=7, ~4836=4...(15) QD1 ILE 16 - H GLY 22 OK 16 71 - 23 - 654/4.6=3, 3.1/4826=3...(8) Peak 63 from nnoeabs.peaks (8.00, 8.11, 113.44 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.83: * H GLY 22 + H GLU 23 OK 83 100 - 83 - 4.6=63, 3.0/64=28...(5) H PHE 34 - H GLU 23 lone 5 97 - 5 - 5181/4851=1 H VAL 30 - H GLU 23 lone 3 71 - 4 - H LYS 86 - H GLU 23 lone 3 93 - 3 - H LYS 63 - H GLU 23 lone 2 100 - 2 - Peak 64 from nnoeabs.peaks (3.77, 8.11, 113.44 ppm; 3.04 A): 2 out of 8 assignments used, quality = 0.83: * HA2 GLY 22 + H GLU 23 OK 81 100 - 81 - 3.6=62, 1.8/4077=21...(9) HA ILE 40 + H GLU 23 OK 11 90 - 12 - 3.0/160=3, 3.2/4859=2...(5) HA LYS 77 - H GLU 23 lone 8 90 - 8 - 3.0/1179=2, 4468=1, 3.6/1119=1 HA2 GLY 60 - H GLU 23 lone 3 98 - 3 - HA VAL 30 - H GLU 23 lone 3 60 - 4 - HD2 PRO 92 - H GLU 23 lone 2 87 - 2 - HB3 SER 11 - H GLU 23 lone 1 95 - 1 - HA SER 89 - H GLU 23 lone 1 71 - 1 - Peak 65 from nnoeabs.peaks (4.11, 8.11, 113.44 ppm; 2.93 A): 2 out of 9 assignments used, quality = 1.00: HA GLU 23 + H GLU 23 OK 99 99 - 99 - 3.0=98, 3.0/661=19...(9) * HA3 GLY 22 + H GLU 23 OK 76 100 - 76 - 3.6=55, 1.8/64=24...(8) HA ILE 39 - H GLU 23 OK 15 83 - 19 - 3.0/1969=4, 3.2/1976=3...(7) HA3 GLY 38 - H GLU 23 lone 5 65 - 8 - 1.8/4148=2, 4149=2, 3.0/1090=2 HA GLN 36 - H GLU 23 lone 2 83 - 2 - HB THR 67 - H GLU 23 lone 2 99 - 2 - HB THR 15 - H GLU 23 lone 1 78 - 1 - HB2 SER 96 - H GLU 23 lone 1 100 - 1 - HA THR 99 - H GLU 23 lone 0 57 - 0 - Peak 66 from nnoeabs.peaks (8.11, 8.39, 116.52 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.84: * H GLU 23 + H ASN 24 OK 84 100 - 85 - 4.5=53, 661/4.1=20...(10) H ILE 39 - H ASN 24 lone 8 100 - 8 - 1498/4.1=2, 1492/4.1=2 H ALA 79 - H ASN 24 lone 8 99 - 8 - 1498/4.1=2, 1492/4.1=2 H ASN 13 - H ASN 24 lone 4 78 - 5 - 4.0/667=1, 3.0/4038=1 H VAL 68 - H ASN 24 lone 4 60 - 6 - 4.0/6174=2 Peak 67 from nnoeabs.peaks (4.11, 8.39, 116.52 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + H ASN 24 OK 100 100 - 100 - 3.6=100 Peak 68 from nnoeabs.peaks (2.00, 8.39, 116.52 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 23 + H ASN 24 OK 100 100 - 100 - 4.1=100 Peak 69 from nnoeabs.peaks (2.06, 8.39, 116.52 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 23 + H ASN 24 OK 100 100 - 100 - 4.1=100 Peak 70 from nnoeabs.peaks (2.34, 8.39, 116.52 ppm; 4.99 A): 2 out of 4 assignments used, quality = 0.88: * HG2 GLU 23 + H ASN 24 OK 84 100 - 84 - 1507/4.1=36, 1490/3.6=30...(7) HG3 GLU 58 + H ASN 24 OK 22 78 - 28 - 1.8/71=10, 1490/3.6=6...(5) HG2 GLN 48 - H ASN 24 lone 3 99 - 3 - HG2 PRO 73 - H ASN 24 lone 2 81 - 2 - Peak 71 from nnoeabs.peaks (2.25, 8.39, 116.52 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.86: * HG3 GLU 23 + H ASN 24 OK 81 100 - 81 - 1513/4.1=33, 1.8/70=29...(7) HG2 GLU 58 + H ASN 24 OK 27 92 - 30 - 1.8/70=7, 1491/3.6=7...(7) HG2 GLU 28 - H ASN 24 lone 5 97 - 5 - 663/4.5=2, 1491/3.6=1 HG2 MET 50 - H ASN 24 lone 3 78 - 4 - Peak 72 from nnoeabs.peaks (8.39, 6.84, 118.19 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.83: * H ASN 24 + H VAL 25 OK 83 100 - 83 - 4.6=47, 2.9/4083=27...(10) H ASN 52 - H VAL 25 poor 9 71 - 13 - 2.9/73=3, 5765/5786=2...(5) H ASN 14 - H VAL 25 lone 5 100 - 5 - 4538/3.0=1 Peak 73 from nnoeabs.peaks (4.95, 6.84, 118.19 ppm; 3.21 A): 2 out of 4 assignments used, quality = 0.88: * HA ASN 24 + H VAL 25 OK 86 100 - 86 - 3.6=73, 2.9/1076=19...(7) HA ASN 52 + H VAL 25 OK 11 97 - 11 - 4887/3.9=3, 2.9/72=2...(5) HA VAL 18 - H VAL 25 lone 3 96 - 3 - HA VAL 95 - H VAL 25 lone 2 92 - 3 - Peak 74 from nnoeabs.peaks (2.91, 6.84, 118.19 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.96: * HB2 ASN 24 + H VAL 25 OK 96 100 - 96 - 4.4=86, 3.0/4083=34...(5) HB2 ASN 91 - H VAL 25 lone 2 100 - 2 - HB3 ASN 91 - H VAL 25 lone 2 100 - 2 - HB3 PHE 97 - H VAL 25 lone 2 65 - 3 - Peak 75 from nnoeabs.peaks (2.72, 6.84, 118.19 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.98: * HB3 ASN 24 + H VAL 25 OK 98 100 - 98 - 4.4=93, 1.8/74=38...(6) HB2 ASP 81 - H VAL 25 lone 5 100 - 5 - 4476/3.0=2, ~4478=1 HB3 ASN 13 - H VAL 25 lone 5 99 - 5 - 667/4.6=2, 4.6/72=1 HB3 PHE 17 - H VAL 25 lone 4 96 - 4 - 6089/6068=1, 4677/4891=1 HB3 ASP 72 - H VAL 25 lone 2 100 - 2 - Peak 78 from nnoeabs.peaks (6.84, 7.30, 111.48 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.96: * H VAL 25 + H THR 26 OK 96 100 - 96 - 4.6=78, 3.0/4086=44...(8) HZ PHE 70 - H THR 26 OK 20 85 - 23 - 2.2/4925=8, 1544/4.3=5...(5) QE TYR 54 - H THR 26 OK 15 99 - 15 - 1544/4.3=4, 5786/5784=3...(6) Peak 79 from nnoeabs.peaks (4.15, 7.30, 111.48 ppm; 2.62 A): 1 out of 8 assignments used, quality = 0.66: * HA VAL 25 + H THR 26 OK 66 100 - 66 - 4086=40, 3.0/4087=12...(7) HA THR 99 - H THR 26 lone 3 97 - 3 - 3.2/7023=2 HA ALA 78 - H THR 26 lone 1 99 - 1 - HB THR 15 - H THR 26 lone 1 85 - 2 - HA GLN 36 - H THR 26 lone 1 81 - 1 - HA3 GLY 90 - H THR 26 lone 0 97 - 0 - HA3 GLY 47 - H THR 26 lone 0 63 - 0 - HA3 GLY 60 - H THR 26 lone 0 63 - 0 - Peak 80 from nnoeabs.peaks (1.99, 7.30, 111.48 ppm; 3.41 A): 2 out of 9 assignments used, quality = 0.87: * HB VAL 25 + H THR 26 OK 85 100 - 85 - 4.4=45, 3.0/4086=31...(9) HB3 GLU 28 + H THR 26 OK 13 92 - 14 - 4.4/4916=11, 5028/4920=1 HB2 LYS 77 - H THR 26 lone 9 92 - 9 - 4087=3 HB2 GLU 23 - H THR 26 lone 8 96 - 8 - 672/4.6=4, 1536/3.6=2 HG2 PRO 49 - H THR 26 lone 5 97 - 6 - HG2 GLN 19 - H THR 26 lone 2 87 - 2 - HB3 GLN 36 - H THR 26 lone 2 78 - 3 - HB2 GLU 65 - H THR 26 lone 2 90 - 2 - HG3 PRO 74 - H THR 26 lone 2 98 - 2 - Peak 81 from nnoeabs.peaks (0.79, 7.30, 111.48 ppm; 3.26 A): 3 out of 5 assignments used, quality = 0.96: * QG1 VAL 25 + H THR 26 OK 85 100 - 85 - 4.3=45, 3.2/4086=27...(10) QG2 VAL 25 + H THR 26 OK 57 68 - 83 - 4.3=45, 3.2/4086=27...(9) QD1 LEU 53 + H THR 26 OK 38 76 - 50 - 2.1/5784=11, 5791/4.6=9...(13) QD1 ILE 93 - H THR 26 lone 8 100 - 7 - 4929/3.0=1, 4928/4.0=1 QG2 ILE 40 - H THR 26 lone 3 73 - 4 - Peak 82 from nnoeabs.peaks (0.82, 7.30, 111.48 ppm; 2.86 A): 4 out of 9 assignments used, quality = 0.89: * QG2 VAL 25 + H THR 26 OK 71 100 - 71 - 4.3=30, 3.2/4086=21...(10) QG1 VAL 25 + H THR 26 OK 48 68 - 71 - 4.3=30, 3.2/4086=21...(9) QG1 VAL 30 + H THR 26 OK 17 76 - 23 - 2.1/5065=8, 3.9/5055=7...(4) QG2 VAL 30 + H THR 26 OK 12 60 - 20 - 3.9/5055=7, 5065=4...(4) QD2 LEU 62 - H THR 26 lone 6 83 - 7 - 1538/3.6=2, 674/4.6=1 QG2 ILE 16 - H THR 26 lone 6 96 - 6 - 4623/4.6=1, 3.2/678=1 QG2 ILE 40 - H THR 26 lone 4 100 - 4 - QG2 ILE 80 - H THR 26 lone 3 68 - 5 - QD1 ILE 93 - H THR 26 lone 2 57 - 3 - Peak 83 from nnoeabs.peaks (7.30, 9.07, 122.12 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H THR 26 + H ILE 27 OK 100 100 - 100 - 4.6=100 Peak 84 from nnoeabs.peaks (4.72, 9.07, 122.12 ppm; 2.87 A): 2 out of 4 assignments used, quality = 0.80: * HA THR 26 + H ILE 27 OK 73 100 - 73 - 3.6=53, 3.0/4091=17...(11) HA LEU 53 + H ILE 27 OK 28 89 - 32 - 4.0/5791=12, 4.0/5793=8...(10) HA SER 96 - H ILE 27 lone 6 81 - 7 - 4942/3.0=1, 4944/4.0=1 HA GLU 87 - H ILE 27 lone 5 89 - 5 - Peak 85 from nnoeabs.peaks (4.68, 9.07, 122.12 ppm; 2.79 A): 2 out of 7 assignments used, quality = 0.70: * HB THR 26 + H ILE 27 OK 59 100 - 59 - 4.4=25, 2.1/4092=18...(12) HA LEU 53 + H ILE 27 OK 28 89 - 31 - 4.0/5791=11, 4.0/5793=7...(9) HA SER 96 - H ILE 27 lone 6 95 - 7 - 4944/4.0=1 HA GLU 87 - H ILE 27 lone 5 89 - 5 - HA GLN 48 - H ILE 27 lone 4 92 - 4 - 4948/4.0=2 HA PRO 92 - H ILE 27 lone 1 63 - 2 - HA PHE 83 - H ILE 27 lone 1 73 - 1 - Peak 86 from nnoeabs.peaks (1.26, 9.07, 122.12 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.95: * QG2 THR 26 + H ILE 27 OK 95 100 - 95 - 4.0=81, 2.1/4091=36...(9) QB ALA 98 - H ILE 27 OK 13 100 - 13 - 6989/4.6=3, 6985/4.7=3...(5) HG12 ILE 16 - H ILE 27 OK 11 73 - 16 - 4987/4.7=4, 4.6/1079=4...(6) HG3 LYS 86 - H ILE 27 lone 7 90 - 8 - ~7127=2, 4987/4.7=1 HG3 LYS 35 - H ILE 27 lone 5 100 - 5 - 5811/5791=1 HG13 ILE 39 - H ILE 27 lone 5 83 - 5 - 4987/4.7=1 Peak 87 from nnoeabs.peaks (9.07, 8.80, 118.07 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.76: * H ILE 27 + H GLU 28 OK 76 100 - 76 - 4.7=36, 1573/4.4=16...(11) Peak 88 from nnoeabs.peaks (3.51, 8.80, 118.07 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 27 + H GLU 28 OK 100 100 - 100 - 3.6=100 Peak 89 from nnoeabs.peaks (1.87, 8.80, 118.07 ppm; 3.14 A): 4 out of 14 assignments used, quality = 0.85: * HB ILE 27 + H GLU 28 OK 76 100 - 76 - 4.4=35, 4.0/87=17...(12) HB ILE 16 + H GLU 28 OK 20 99 - 20 - 3.0/4987=5, 2.1/1296=4...(6) HB3 LYS 44 + H GLU 28 OK 12 100 - 12 - 2.9/4988=2, 4994/2.9=2...(8) HB2 LYS 44 + H GLU 28 OK 12 99 - 12 - 2.9/4988=2, 4994/2.9=2...(8) HB2 LYS 63 - H GLU 28 lone 5 92 - 5 - 7101/3.7=1 HB ILE 37 - H GLU 28 lone 4 97 - 4 - HB2 GLU 87 - H GLU 28 lone 2 87 - 3 - 3.0/5008=1 HD3 LYS 77 - H GLU 28 lone 2 100 - 2 - HB2 PRO 92 - H GLU 28 lone 1 100 - 1 - HB2 LEU 62 - H GLU 28 lone 1 68 - 2 - HB2 PRO 74 - H GLU 28 lone 1 60 - 2 - HB2 LYS 61 - H GLU 28 lone 1 63 - 2 - HB2 ARG 57 - H GLU 28 lone 1 63 - 1 - HB3 ARG 57 - H GLU 28 lone 1 63 - 1 - Peak 90 from nnoeabs.peaks (0.93, 8.80, 118.07 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.96: * QG2 ILE 27 + H GLU 28 OK 90 100 - 90 - 4.3=44, 1581/3.6=21...(19) QD1 ILE 27 + H GLU 28 OK 64 83 - 77 - 2.8/4095=15, 3.2/4094=15...(18) QD1 ILE 39 - H GLU 28 lone 9 92 - 9 - 2.1/4987=2, 4992/2.9=2 Peak 91 from nnoeabs.peaks (1.66, 8.80, 118.07 ppm; 3.83 A): 5 out of 18 assignments used, quality = 0.90: * HG12 ILE 27 + H GLU 28 OK 82 100 - 82 - 2.8/4094=22, 4.6/87=21...(12) HD2 LYS 44 + H GLU 28 OK 14 76 - 18 - 3.0/4988=3, 3.8/89=2...(7) HB2 MET 50 + H GLU 28 OK 13 99 - 14 - 2.9/5703=3, 2.9/690=3 HD3 LYS 44 + H GLU 28 OK 13 73 - 18 - 3.0/4988=3, 3.8/89=2...(7) QB ALA 79 + H GLU 28 OK 12 97 - 12 - 6493/1317=2, 1570/3.6=2 HG3 GLN 19 - H GLU 28 lone 7 97 - 7 - 4067/4.6=2, 1.8/689=2 HG12 ILE 40 - H GLU 28 lone 7 87 - 8 - 1570/3.6=3, 683/4.7=1 HD3 LYS 94 - H GLU 28 lone 4 85 - 5 - HD2 LYS 94 - H GLU 28 lone 4 85 - 5 - HB ILE 40 - H GLU 28 lone 4 73 - 6 - 1570/3.6=2 HB VAL 18 - H GLU 28 lone 4 81 - 5 - HD3 LYS 61 - H GLU 28 lone 3 76 - 4 - HD2 LYS 61 - H GLU 28 lone 3 76 - 4 - HB3 LYS 61 - H GLU 28 lone 3 100 - 3 - HD3 LYS 63 - H GLU 28 lone 3 76 - 4 - HD3 LYS 35 - H GLU 28 lone 2 65 - 3 - HG3 ARG 57 - H GLU 28 lone 1 78 - 2 - HG2 ARG 57 - H GLU 28 lone 1 73 - 2 - Peak 92 from nnoeabs.peaks (1.16, 8.80, 118.07 ppm; 4.15 A): 4 out of 5 assignments used, quality = 0.94: * HG13 ILE 27 + H GLU 28 OK 89 100 - 89 - 1595/3.6=28, 4.6/87=25...(15) QG2 THR 15 + H GLU 28 OK 24 100 - 24 - 4046=6, 3.2/4044=3...(9) HB2 LEU 21 + H GLU 28 OK 13 100 - 13 - 1571/3.6=3, 684/4.7=2...(4) HB3 LEU 21 + H GLU 28 OK 13 99 - 13 - 1571/3.6=3, 684/4.7=2...(4) HG13 ILE 37 - H GLU 28 lone 7 87 - 8 - 1571/3.6=1, 3.0/89=1 Peak 93 from nnoeabs.peaks (0.95, 8.80, 118.07 ppm; 3.23 A): 3 out of 3 assignments used, quality = 0.95: * QD1 ILE 27 + H GLU 28 OK 77 100 - 77 - 1602/3.6=16, 2.8/4095=15...(19) QG2 ILE 27 + H GLU 28 OK 72 83 - 87 - 4.3=42, 2.1/4094=19...(19) QB ALA 66 + H GLU 28 OK 17 96 - 18 - 6039/3.6=7, 685/4.7=1 Peak 94 from nnoeabs.peaks (8.80, 8.23, 115.72 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.85: * H GLU 28 + H SER 29 OK 79 100 - 80 - 1080=38, 3.7/96=16...(15) H ASN 43 + H SER 29 OK 14 99 - 14 - 1614/4.4=2, 1620/4.4=2...(6) H ILE 16 + H SER 29 OK 13 94 - 14 - 1142/4.6=2, 1614/4.4=2...(6) Peak 95 from nnoeabs.peaks (3.98, 8.23, 115.72 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.95: * HA GLU 28 + H SER 29 OK 90 100 - 90 - 3.6=73, 2.9/1080=19...(12) HB2 SER 29 + H SER 29 OK 47 67 - 70 - 4.0=51, 1.8/1646=24...(7) HA LYS 44 - H SER 29 lone 6 96 - 6 - 3.7/5021=1, 1141/4.6=1 HB3 SER 96 - H SER 29 lone 4 91 - 4 - 3.0/5009=1 HB3 SER 89 - H SER 29 lone 3 90 - 3 - Peak 96 from nnoeabs.peaks (2.08, 8.23, 115.72 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.82: * HB2 GLU 28 + H SER 29 OK 79 100 - 80 - 4.4=44, 1.8/97=19...(9) HB2 LYS 86 + H SER 29 OK 10 98 - 10 - 1.8/98=3, 2.8/5022=2...(4) HB3 GLU 23 - H SER 29 lone 3 88 - 4 - 3.0/98=1 HB3 LYS 77 - H SER 29 lone 2 56 - 4 - 1.8/97=2 HB2 LYS 35 - H SER 29 lone 1 65 - 2 - HG2 PRO 74 - H SER 29 lone 1 59 - 2 - Peak 97 from nnoeabs.peaks (1.98, 8.23, 115.72 ppm; 3.53 A): 3 out of 11 assignments used, quality = 0.91: * HB3 GLU 28 + H SER 29 OK 86 100 - 87 - 4.4=50, 1.8/96=31...(11) HB VAL 25 + H SER 29 OK 20 91 - 23 - 4.4/4916=12, 5028/4.0=3...(5) HG2 GLN 19 + H SER 29 OK 16 100 - 16 - 4066=3, 3.0/4064=2...(6) HG2 PRO 49 - H SER 29 poor 10 70 - 14 - 7090/3.6=5, 689/4.6=2...(4) HB2 LYS 77 - H SER 29 lone 7 100 - 7 - 4454/2.9=1, 5028/4.0=1 HB2 GLU 65 - H SER 29 lone 5 100 - 5 - 3.0/6016=2 HG3 PRO 74 - H SER 29 lone 4 99 - 4 - 4101=1 HB2 GLU 23 - H SER 29 lone 4 65 - 6 - 3.0/98=2, 1.8/96=1 HB2 LYS 45 - H SER 29 lone 1 62 - 1 - HB3 LYS 45 - H SER 29 lone 1 62 - 1 - HG3 PRO 73 - H SER 29 lone 1 62 - 1 - Peak 98 from nnoeabs.peaks (2.26, 8.23, 115.72 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.89: * HG2 GLU 28 + H SER 29 OK 85 100 - 86 - 1.8/99=31, 3.0/96=30...(12) HB3 LYS 86 + H SER 29 OK 16 82 - 19 - 1.8/96=5, 2.8/5022=4...(6) HG2 MET 50 + H SER 29 OK 10 96 - 11 - 5701/4.6=3, 1612/3.6=2...(5) HG3 GLU 23 - H SER 29 lone 8 96 - 8 - 1612/3.6=1, 3.0/96=1, 690/4.6=1 HG2 GLU 58 - H SER 29 lone 1 67 - 2 - Peak 99 from nnoeabs.peaks (2.47, 8.23, 115.72 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.88: * HG3 GLU 28 + H SER 29 OK 87 100 - 87 - 3.0/96=31, 4103=31...(12) HE2 LYS 86 + H SER 29 OK 11 84 - 13 - 3.9/5022=3, 4.7/98=3...(4) HB3 ASP 56 - H SER 29 lone 1 75 - 2 - Peak 100 from nnoeabs.peaks (8.23, 7.97, 124.77 ppm; 3.16 A): 2 out of 3 assignments used, quality = 0.73: * H SER 29 + H VAL 30 OK 67 100 - 67 - 4.6=32, 1646/4.6=11...(11) H GLY 20 + H VAL 30 OK 20 90 - 22 - 5072/4.0=3, 5073/3.9=3...(10) H ASP 12 - H VAL 30 lone 7 100 - 7 - 1146/4.6=1, 5073/3.9=1 Peak 101 from nnoeabs.peaks (4.38, 7.97, 124.77 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 29 + H VAL 30 OK 100 100 - 100 - 3.6=100 Peak 102 from nnoeabs.peaks (4.01, 7.97, 124.77 ppm; 3.87 A): 2 out of 6 assignments used, quality = 0.87: * HB2 SER 29 + H VAL 30 OK 79 100 - 79 - 4.6=58, 1.8/103=23...(9) HA GLU 28 + H VAL 30 OK 36 68 - 53 - 3.6/100=21, 2.9/1142=18...(10) HA LYS 44 - H VAL 30 poor 10 92 - 10 - 3.6/1144=3, 3.7/5036=1...(4) HA SER 75 - H VAL 30 lone 9 96 - 9 - 6364/3.9=3, 6364/3.9=3 HB3 SER 89 - H VAL 30 lone 7 97 - 7 - 4105=2 HA ARG 57 - H VAL 30 lone 2 93 - 2 - Peak 103 from nnoeabs.peaks (4.08, 7.97, 124.77 ppm; 4.02 A): 3 out of 5 assignments used, quality = 0.88: * HB3 SER 29 + H VAL 30 OK 83 100 - 83 - 4.6=65, 1.8/102=22...(7) HA LYS 41 + H VAL 30 OK 16 85 - 19 - 5470/3.0=5, 3.0/5036=4...(6) HA ILE 39 + H VAL 30 OK 15 97 - 16 - 3.6/1082=7, 4150/4.6=5...(4) HA3 GLY 38 - H VAL 30 lone 10 100 - 10 - 3.0/5055=4, 695/4.6=1 HB THR 67 - H VAL 30 lone 5 76 - 6 - 2.1/5036=2, 695/4.6=1 Peak 104 from nnoeabs.peaks (7.97, 8.70, 123.11 ppm; 2.93 A): 2 out of 7 assignments used, quality = 0.78: * H VAL 30 + H ALA 31 OK 64 100 - 64 - 1082=31, 698/4.4=8...(15) H PHE 34 + H ALA 31 OK 38 92 - 42 - 1162/3.0=9, 5180=6...(12) H ASP 81 - H ALA 31 lone 8 92 - 9 - 5077/2.9=2 H ASP 84 - H ALA 31 lone 8 83 - 9 - 4.6/1149=1, 5077/2.9=1 H LYS 63 - H ALA 31 lone 5 71 - 7 - 4.7/1083=1 H GLY 22 - H ALA 31 lone 5 71 - 7 - HE21 GLN 19 - H ALA 31 lone 3 78 - 4 - Peak 105 from nnoeabs.peaks (3.75, 8.70, 123.11 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 30 + H ALA 31 OK 100 100 - 100 - 3.6=100 Peak 106 from nnoeabs.peaks (2.19, 8.70, 123.11 ppm; 3.12 A): 2 out of 9 assignments used, quality = 0.79: * HB VAL 30 + H ALA 31 OK 69 100 - 70 - 4.4=35, 4.0/1082=11...(17) HB2 PRO 49 + H ALA 31 OK 31 63 - 49 - ~5093=9, 5097/2.9=7...(22) HB3 GLN 48 - H ALA 31 lone 8 100 - 8 - 5613/4930=1 HB2 PHE 88 - H ALA 31 lone 5 92 - 6 - 698/4.6=1 HG2 GLU 65 - H ALA 31 lone 5 100 - 4 - HG3 GLU 87 - H ALA 31 lone 3 100 - 3 - HB3 PRO 92 - H ALA 31 lone 3 76 - 4 - HG3 PRO 92 - H ALA 31 lone 3 85 - 3 - HB2 PRO 73 - H ALA 31 lone 1 60 - 1 - Peak 107 from nnoeabs.peaks (0.85, 8.70, 123.11 ppm; 2.95 A): 3 out of 10 assignments used, quality = 0.94: * QG2 VAL 30 + H ALA 31 OK 73 100 - 73 - 4.2=34, 2.1/106=15...(17) QG1 VAL 30 + H ALA 31 OK 70 99 - 70 - 4.2=34, 2.1/106=15...(19) QD1 ILE 51 + H ALA 31 OK 30 71 - 42 - 5708=10, 5723/3.0=10...(11) QG2 ILE 80 - H ALA 31 OK 13 100 - 13 - 4324/4.6=2, 3.2/703=1...(4) QG2 THR 42 - H ALA 31 poor 8 63 - 13 - 3.2/1145=2, 5090/2.9=2...(4) QD2 LEU 62 - H ALA 31 lone 8 98 - 8 - QG2 ILE 16 - H ALA 31 lone 8 89 - 9 - 4588/2.9=2 QG2 ILE 37 - H ALA 31 lone 7 100 - 7 - 5287/3.0=1 QG1 VAL 18 - H ALA 31 lone 7 76 - 9 - 4061=2 QG2 VAL 25 - H ALA 31 lone 5 60 - 9 - 2.1/5084=1, 4110=1, 1654/3.6=1 Peak 108 from nnoeabs.peaks (0.84, 8.70, 123.11 ppm; 2.95 A): 3 out of 9 assignments used, quality = 0.95: QG2 VAL 30 + H ALA 31 OK 72 99 - 72 - 4.2=34, 2.1/106=15...(17) * QG1 VAL 30 + H ALA 31 OK 70 100 - 70 - 4.2=34, 2.1/106=15...(18) QG2 ILE 40 + H ALA 31 OK 43 71 - 61 - 2.1/2011=10, 2018=9...(21) QG2 ILE 80 - H ALA 31 OK 13 100 - 13 - 4324/4.6=2, 3.2/703=1...(4) QG2 ILE 16 - H ALA 31 lone 9 97 - 9 - 4588/2.9=2 QD2 LEU 62 - H ALA 31 lone 8 100 - 8 - QG2 VAL 25 - H ALA 31 lone 7 76 - 9 - 2.1/5084=1, 4110=1, 1654/3.6=1 QG2 ILE 37 - H ALA 31 lone 6 99 - 6 - 5287/3.0=1 QG1 VAL 18 - H ALA 31 lone 4 60 - 7 - 4061=1 Peak 109 from nnoeabs.peaks (8.70, 8.31, 115.33 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.76: * H ALA 31 + H ASP 32 OK 70 100 - 70 - 1083=33, 2.9/4112=18...(15) H ILE 40 + H ASP 32 OK 21 99 - 21 - 4.7/5117=6, 1673/3.5=5...(7) H GLN 19 - H ASP 32 lone 6 83 - 7 - H LYS 41 - H ASP 32 lone 5 65 - 8 - 768/3.5=2, 4.0/111=1 Peak 110 from nnoeabs.peaks (3.89, 8.31, 115.33 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + H ASP 32 OK 100 100 - 100 - 3.6=100 Peak 111 from nnoeabs.peaks (1.46, 8.31, 115.33 ppm; 2.78 A): 3 out of 7 assignments used, quality = 0.81: * QB ALA 31 + H ASP 32 OK 75 100 - 75 - 3.5=52, 2.9/1083=14...(13) HG12 ILE 80 + H ASP 32 OK 13 97 - 14 - 5124/3.9=2, 2.9/5115=2...(6) HB ILE 51 + H ASP 32 OK 12 99 - 12 - 3.2/5116=2, 703/4.6=2 HB2 LYS 41 - H ASP 32 lone 9 99 - 9 - 2056/4.6=2 HG2 LYS 44 - H ASP 32 lone 6 98 - 6 - 3.7/1153=1 QG2 THR 67 - H ASP 32 lone 4 97 - 4 - HG3 LYS 94 - H ASP 32 lone 2 78 - 2 - Peak 112 from nnoeabs.peaks (8.31, 7.53, 119.11 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.78: * H ASP 32 + H TYR 33 OK 73 100 - 73 - 4.6=38, 1680/4.5=15...(13) H GLY 64 + H TYR 33 OK 18 87 - 20 - 3.0/1157=4, 5144/4.0=3...(7) H LYS 45 - H TYR 33 lone 8 100 - 8 - 1684/4.5=1, 1680/4.5=1 Peak 113 from nnoeabs.peaks (4.30, 7.53, 119.11 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 32 + H TYR 33 OK 100 100 - 100 - 3.6=100 Peak 114 from nnoeabs.peaks (2.75, 7.53, 119.11 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.84: * HB2 ASP 32 + H TYR 33 OK 72 100 - 72 - 4.5=44, 1.8/115=24...(10) HB3 PHE 34 + H TYR 33 OK 45 90 - 49 - 2.4/4676=15, 3.0/7155=13...(10) HB3 PHE 70 - H TYR 33 lone 6 73 - 9 - 4.4/5139=3, 719/4.6=1 HB3 ASP 84 - H TYR 33 lone 3 81 - 4 - Peak 115 from nnoeabs.peaks (2.62, 7.53, 119.11 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.88: * HB3 ASP 32 + H TYR 33 OK 85 100 - 85 - 4.5=54, 1.8/4114=28...(9) HB3 ASP 12 + H TYR 33 OK 18 100 - 18 - 4115=7, 5165/3.0=3...(5) HB3 ASP 81 - H TYR 33 lone 7 98 - 7 - 5168/4.0=2, 5165/3.0=2 HB3 ASN 52 - H TYR 33 lone 2 65 - 4 - 5165/3.0=1 HB2 ASN 52 - H TYR 33 lone 2 57 - 3 - Peak 116 from nnoeabs.peaks (7.53, 7.99, 112.45 ppm; 3.05 A): 3 out of 3 assignments used, quality = 0.85: * H TYR 33 + H PHE 34 OK 74 100 - 74 - 4.6=28, 4.0/119=15...(17) H GLN 36 + H PHE 34 OK 29 73 - 39 - 3.6/5183=8, 4.6/1086=7...(10) QD PHE 83 + H PHE 34 OK 22 63 - 36 - 7155/3.0=7, 4676/4.5=6...(12) Peak 117 from nnoeabs.peaks (4.20, 7.99, 112.45 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + H PHE 34 OK 100 100 - 100 - 3.6=100 Peak 118 from nnoeabs.peaks (3.09, 7.99, 112.45 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.91: * HB2 TYR 33 + H PHE 34 OK 91 100 - 91 - 4.3=62, 1.8/119=40...(9) HB3 TRP 82 - H PHE 34 lone 6 100 - 6 - 710/4.6=2 HE3 LYS 41 - H PHE 34 lone 3 100 - 3 - HB2 ASP 56 - H PHE 34 lone 2 73 - 3 - HE3 LYS 77 - H PHE 34 lone 1 100 - 1 - HE2 LYS 77 - H PHE 34 lone 1 78 - 1 - Peak 119 from nnoeabs.peaks (2.82, 7.99, 112.45 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.73: * HB3 TYR 33 + H PHE 34 OK 73 100 - 73 - 4.3=33, 1.8/118=21...(10) HB2 TYR 54 - H PHE 34 lone 3 98 - 3 - 4.4/5181=1 HB2 ASP 72 - H PHE 34 lone 3 100 - 3 - HB2 PHE 17 - H PHE 34 lone 2 100 - 2 - Peak 123 from nnoeabs.peaks (5.84, 7.99, 112.45 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.95: * QD TYR 33 + H PHE 34 OK 95 100 - 95 - 4.6=60, 2.5/119=37...(13) Peak 124 from nnoeabs.peaks (7.99, 8.35, 118.82 ppm; 3.27 A): 4 out of 5 assignments used, quality = 0.87: * H PHE 34 + H LYS 35 OK 77 100 - 77 - 4.6=35, 723/4.3=12...(16) H VAL 30 + H LYS 35 OK 22 92 - 24 - 4677/4.3=4, 1752/4.2=4...(9) H LYS 63 + H LYS 35 OK 20 97 - 20 - 1107=5, 4.4/5965=2...(5) H GLY 22 + H LYS 35 OK 13 97 - 14 - 4847=3, 5243/3.8=1...(5) H LYS 86 - H LYS 35 lone 7 73 - 9 - 3.6/1168=1 Peak 125 from nnoeabs.peaks (4.33, 8.35, 118.82 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + H LYS 35 OK 100 100 - 100 - 3.5=100 Peak 126 from nnoeabs.peaks (3.41, 8.35, 118.82 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + H LYS 35 OK 100 100 - 100 - 4.2=100 Peak 127 from nnoeabs.peaks (2.77, 8.35, 118.82 ppm; 3.93 A): 3 out of 4 assignments used, quality = 0.91: * HB3 PHE 34 + H LYS 35 OK 85 100 - 85 - 4.2=80, 4.1/1086=16...(4) HB2 ASP 32 + H LYS 35 OK 31 90 - 34 - 3.0/1167=17, 4.5/1087=7...(6) HB3 PHE 70 + H LYS 35 OK 10 99 - 10 - 5446/5226=3, 719/4.6=2 HB3 ASP 84 - H LYS 35 lone 4 100 - 4 - Peak 131 from nnoeabs.peaks (7.43, 8.35, 118.82 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + H LYS 35 OK 100 100 - 100 - 4.3=100 Peak 132 from nnoeabs.peaks (8.35, 7.50, 116.16 ppm; 3.22 A): 3 out of 4 assignments used, quality = 0.83: * H LYS 35 + H GLN 36 OK 76 100 - 76 - 1087=34, 3.8/134=17...(14) H LYS 94 + H GLN 36 OK 19 98 - 19 - 1794/4.6=2, 5262/2.9=2...(8) H GLY 64 + H GLN 36 OK 13 92 - 14 - 1794/4.6=2, 1824/4.9=2...(8) H ASN 52 - H GLN 36 poor 9 83 - 10 - 1794/4.6=1, 5317/4.6=1...(5) Peak 133 from nnoeabs.peaks (4.91, 7.50, 116.16 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + H GLN 36 OK 100 100 - 100 - 3.6=100 Peak 134 from nnoeabs.peaks (2.05, 7.50, 116.16 ppm; 3.05 A): 1 out of 7 assignments used, quality = 0.74: * HB2 LYS 35 + H GLN 36 OK 74 100 - 74 - 4.6=28, 1.8/135=22...(14) HB2 LYS 86 - H GLN 36 lone 7 85 - 8 - 1.8/739=2, 2.8/137=2 HG2 PRO 92 - H GLN 36 lone 2 73 - 3 - HB3 GLU 23 - H GLN 36 lone 2 97 - 2 - HB3 MET 50 - H GLN 36 lone 1 78 - 2 - QE MET 50 - H GLN 36 lone 1 87 - 2 - HB2 GLU 28 - H GLN 36 lone 1 65 - 1 - Peak 135 from nnoeabs.peaks (2.16, 7.50, 116.16 ppm; 3.43 A): 1 out of 8 assignments used, quality = 0.85: * HB3 LYS 35 + H GLN 36 OK 85 100 - 86 - 4.6=40, 1.8/134=34...(13) HB3 GLU 58 - H GLN 36 lone 9 100 - 9 - 1.8/736=3, 3.0/739=3 HB2 PHE 88 - H GLN 36 lone 4 89 - 4 - 4.4/5253=2, 5.8/5253=1 HB2 PRO 73 - H GLN 36 lone 3 100 - 3 - 1.8/739=1 HB2 GLU 58 - H GLN 36 lone 3 60 - 5 - 3.0/739=3 HB3 PRO 92 - H GLN 36 lone 3 98 - 3 - HG3 PRO 92 - H GLN 36 lone 3 95 - 3 - 1.8/737=1 HG3 GLU 65 - H GLN 36 lone 1 73 - 1 - Peak 136 from nnoeabs.peaks (1.76, 7.50, 116.16 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.95: * HG2 LYS 35 + H GLN 36 OK 87 100 - 87 - 4.9=40, 3.0/134=28...(12) HD2 LYS 35 + H GLN 36 OK 62 83 - 76 - 3.6/134=23, 3.6/135=19...(12) HB3 GLN 19 - H GLN 36 lone 9 100 - 8 - 1.8/736=3, 4748/4.6=2 Peak 137 from nnoeabs.peaks (1.27, 7.50, 116.16 ppm; 3.74 A): 3 out of 6 assignments used, quality = 0.92: * HG3 LYS 35 + H GLN 36 OK 89 100 - 89 - 4.9=43, 3.0/134=29...(11) QB ALA 98 + H GLN 36 OK 16 100 - 16 - 3.6/1088=5, 4405/4.6=4...(5) HG3 LYS 86 + H GLN 36 OK 11 89 - 13 - 2.8/134=3, 2.8/739=3...(6) HG12 ILE 16 - H GLN 36 lone 4 76 - 5 - 3.0/5313=1, 3.2/5245=1 HG13 ILE 39 - H GLN 36 lone 2 85 - 3 - 729/4.6=1 QG2 THR 26 - H GLN 36 lone 2 100 - 2 - Peak 138 from nnoeabs.peaks (1.74, 7.50, 116.16 ppm; 3.77 A): 2 out of 5 assignments used, quality = 0.94: * HD2 LYS 35 + H GLN 36 OK 78 100 - 79 - 3.6/134=25, 3.6/135=21...(13) HG2 LYS 35 + H GLN 36 OK 73 83 - 89 - 4.9=45, 3.0/134=29...(12) HB3 GLN 19 - H GLN 36 lone 8 89 - 8 - 1.8/736=3, 4748/4.6=2 HB2 LEU 53 - H GLN 36 lone 6 78 - 7 - 5795/3.6=3, 730/4.6=2 HB ILE 80 - H GLN 36 lone 5 78 - 6 - 2.1/5245=2, ~5248=1 Peak 142 from nnoeabs.peaks (7.50, 7.81, 116.34 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.78: * H GLN 36 + H ILE 37 OK 75 100 - 75 - 1088=41, 3.6/5293=12...(12) H TYR 33 + H ILE 37 OK 11 73 - 16 - 1890/4.6=3, 1882/4.6=3...(9) Peak 143 from nnoeabs.peaks (4.13, 7.81, 116.34 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 36 + H ILE 37 OK 100 100 - 100 - 3.5=100 Peak 144 from nnoeabs.peaks (2.11, 7.81, 116.34 ppm; 3.96 A): 1 out of 6 assignments used, quality = 0.93: * HB2 GLN 36 + H ILE 37 OK 93 100 - 93 - 4.6=62, 1.8/145=35...(9) HB3 LYS 77 - H ILE 37 lone 7 100 - 7 - 6404/4.6=3, 3.7/744=1 HB2 GLN 19 - H ILE 37 lone 6 100 - 6 - 736/4.6=1, 1876/3.5=1 HB2 GLU 58 - H ILE 37 lone 5 81 - 7 - 3.0/147=2, 736/4.6=2, 1876/3.5=2 HG2 PRO 74 - H ILE 37 lone 2 100 - 2 - HG3 GLU 65 - H ILE 37 lone 1 68 - 1 - Peak 145 from nnoeabs.peaks (2.01, 7.81, 116.34 ppm; 3.63 A): 1 out of 7 assignments used, quality = 0.86: * HB3 GLN 36 + H ILE 37 OK 86 100 - 86 - 4.6=48, 1.8/144=26...(9) HB3 MET 50 - H ILE 37 lone 5 95 - 6 - 5665/4.6=2, 1.8/5266=1 QE MET 50 - H ILE 37 lone 4 89 - 5 - 5673/4.6=2 HG2 PRO 49 - H ILE 37 lone 2 96 - 2 - HG2 PRO 92 - H ILE 37 lone 2 97 - 2 - HB VAL 25 - H ILE 37 lone 2 78 - 2 - HB2 GLU 23 - H ILE 37 lone 2 97 - 2 - Peak 146 from nnoeabs.peaks (2.42, 7.81, 116.34 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.94: * HG2 GLN 36 + H ILE 37 OK 93 100 - 94 - 1.8/147=32, 3.0/145=31...(14) HG3 GLN 48 + H ILE 37 OK 14 96 - 14 - 3.5/5294=4, 5279/4.5=4...(5) HE2 LYS 86 - H ILE 37 lone 6 68 - 8 - 1878/3.5=1, 738/4.6=1...(4) HB3 ASP 56 - H ILE 37 lone 5 78 - 6 - 5279/4.5=2, 5881/4.6=1 Peak 147 from nnoeabs.peaks (2.30, 7.81, 116.34 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.91: * HG3 GLN 36 + H ILE 37 OK 91 100 - 91 - 3.0/145=30, 1.8/146=30...(11) HG3 GLU 58 - H ILE 37 lone 9 97 - 9 - 1879/3.5=3, 739/4.6=2...(4) HB3 LYS 86 - H ILE 37 lone 6 81 - 7 - 739/4.6=2, 1879/3.5=2, 4.7/146=1 HG2 MET 50 - H ILE 37 lone 4 57 - 7 - 2.9/145=2, 2.9/5266=1, 3.3/145=1 HB3 PRO 73 - H ILE 37 lone 3 100 - 3 - Peak 150 from nnoeabs.peaks (7.81, 7.34, 107.24 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.72: * H ILE 37 + H GLY 38 OK 66 100 - 67 - 1089=36, 744/4.4=9...(11) H THR 99 + H GLY 38 OK 16 100 - 16 - 1928/4.4=2, 1921/4.4=2...(5) Peak 151 from nnoeabs.peaks (4.23, 7.34, 107.24 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + H GLY 38 OK 100 100 - 100 - 3.6=100 Peak 152 from nnoeabs.peaks (1.85, 7.34, 107.24 ppm; 3.61 A): 3 out of 11 assignments used, quality = 0.92: * HB ILE 37 + H GLY 38 OK 87 100 - 87 - 4.4=54, 3.9/150=21...(13) HB ILE 16 + H GLY 38 OK 29 100 - 29 - 2.1/153=6, 3.0/4618=5...(10) HD3 LYS 77 + H GLY 38 OK 17 96 - 18 - 6408=3, 4.6/6403=3...(6) HB2 LYS 44 - H GLY 38 lone 7 100 - 8 - 5345/3.0=1, 3.8/5336=1 HB3 LYS 44 - H GLY 38 lone 7 99 - 7 - 5345/3.0=1, 3.8/5336=1 HB2 LYS 61 - H GLY 38 lone 6 89 - 7 - 5345/3.0=1, 3.9/5336=1...(4) HB ILE 27 - H GLY 38 lone 3 97 - 3 - HB2 PRO 74 - H GLY 38 lone 1 87 - 2 - HB2 LYS 63 - H GLY 38 lone 1 68 - 2 - HB2 PRO 92 - H GLY 38 lone 1 96 - 1 - HB2 GLU 87 - H GLY 38 lone 1 60 - 1 - Peak 153 from nnoeabs.peaks (0.85, 7.34, 107.24 ppm; 3.44 A): 4 out of 9 assignments used, quality = 0.91: * QG2 ILE 37 + H GLY 38 OK 83 100 - 83 - 4.4=49, 4.0/150=18...(12) QG2 ILE 16 + H GLY 38 OK 26 85 - 31 - 2.1/152=5, 4144=5...(11) QG2 ILE 80 + H GLY 38 OK 18 100 - 18 - 3.0/6537=5, 3.2/156=5...(4) QG2 VAL 30 + H GLY 38 OK 11 100 - 11 - 5065=1, 3.9/5055=1, 745/4.6=1 QG1 VAL 30 - H GLY 38 poor 10 99 - 10 - 3.9/5055=1, 2.1/5065=1 QD2 LEU 62 - H GLY 38 lone 5 97 - 5 - QD1 ILE 51 - H GLY 38 lone 4 76 - 5 - 5722/3.6=1 QG1 VAL 18 - H GLY 38 lone 4 81 - 4 - QG2 THR 42 - H GLY 38 lone 3 68 - 5 - 4.0/4540=1 Peak 154 from nnoeabs.peaks (1.36, 7.34, 107.24 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.92: * HG12 ILE 37 + H GLY 38 OK 90 100 - 90 - 2.1/156=29, 4.6/150=27...(15) HB VAL 68 + H GLY 38 OK 18 99 - 18 - 1932/4.4=5, 1918/3.6=4...(6) HG12 ILE 93 - H GLY 38 lone 6 100 - 5 - 746/4.6=1, 1918/3.6=1 HB3 LEU 53 - H GLY 38 lone 4 63 - 7 - 1918/3.6=1, 1932/4.4=1 Peak 155 from nnoeabs.peaks (1.18, 7.34, 107.24 ppm; 4.70 A): 2 out of 6 assignments used, quality = 0.92: * HG13 ILE 37 + H GLY 38 OK 91 100 - 91 - 1.8/154=31, 2.1/156=29...(16) QG2 THR 15 + H GLY 38 OK 11 78 - 14 - 4.0/4540=8, 4547/4.6=1...(4) HB2 LEU 21 - H GLY 38 poor 8 78 - 11 - 4.6/4841=3, 1933/4.4=2...(4) HB3 LEU 21 - H GLY 38 poor 8 73 - 10 - 4.6/4841=3, 1933/4.4=1...(4) HB3 LYS 41 - H GLY 38 lone 7 89 - 8 - 1933/4.4=2, 4.6/4540=2 HG13 ILE 27 - H GLY 38 lone 5 87 - 6 - 1933/4.4=1 Peak 156 from nnoeabs.peaks (0.35, 7.34, 107.24 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 37 + H GLY 38 OK 90 100 - 90 - 1920/3.6=30, 2.1/154=26...(16) HG13 ILE 80 + H GLY 38 OK 35 90 - 39 - 2.1/6537=10, 1920/3.6=6...(9) Peak 157 from nnoeabs.peaks (7.34, 8.12, 117.46 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.96: * H GLY 38 + H ILE 39 OK 96 100 - 96 - 4.6=87, 3.0/158=37...(10) QD PHE 97 - H ILE 39 lone 9 100 - 9 - 4.9/5377=2, 4759/4468=1 HZ2 TRP 82 - H ILE 39 lone 8 100 - 8 - 4.3/5376=3, 4147/5323=1 HD21 ASN 91 - H ILE 39 lone 6 78 - 7 - 1.7/5376=4 Peak 158 from nnoeabs.peaks (3.92, 8.12, 117.46 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.84: * HA2 GLY 38 + H ILE 39 OK 84 100 - 84 - 3.6=68, 1.8/4149=25...(8) HA ALA 31 - H ILE 39 poor 9 57 - 15 - 3.0/1091=4, 5370/4.6=3...(6) HD3 PRO 92 - H ILE 39 lone 4 97 - 4 - 5365/3.9=1 Peak 159 from nnoeabs.peaks (4.08, 8.12, 117.46 ppm; 2.95 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 39 + H ILE 39 OK 99 99 - 100 - 3.0=100 Reference assignment not found: HA3 GLY 38 - H ILE 39 Peak 160 from nnoeabs.peaks (8.12, 8.71, 131.84 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.99: * H ILE 39 + H ILE 40 OK 99 100 - 99 - 4.7=93, 3.0/4150=32...(12) H GLU 23 - H ILE 40 OK 31 100 - 31 - 1976/3.8=7, 1969/4.4=6...(10) H ALA 79 - H ILE 40 OK 22 100 - 22 - 1185/3.0=5, 1976/3.8=5...(8) H VAL 68 - H ILE 40 OK 10 57 - 18 - 4.0/6171=5, 4.0/6175=5...(4) H ASN 13 - H ILE 40 lone 3 76 - 4 - Peak 161 from nnoeabs.peaks (4.09, 8.71, 131.84 ppm; 2.74 A): 4 out of 8 assignments used, quality = 0.82: * HA ILE 39 + H ILE 40 OK 70 100 - 70 - 3.6=46, 3.2/4152=11...(13) HA3 GLY 38 + H ILE 40 OK 21 99 - 22 - 4149/4.7=7, 5349/3.8=5...(8) HB3 SER 29 + H ILE 40 OK 11 97 - 12 - 4.6/1082=2, 4.0/1140=2...(5) HA LYS 41 + H ILE 40 OK 11 60 - 18 - ~168=4, ~4156=4...(6) HA3 GLY 22 - H ILE 40 lone 7 83 - 9 - 3.6/160=2, 5414/4.0=1...(4) HB THR 67 - H ILE 40 lone 7 95 - 7 - HA GLU 23 - H ILE 40 lone 5 68 - 8 - 3.0/160=2 HB2 SER 96 - H ILE 40 lone 2 83 - 2 - Peak 162 from nnoeabs.peaks (1.82, 8.71, 131.84 ppm; 4.42 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 39 + H ILE 40 OK 100 100 - 100 - 4.4=98, 3.0/4150=31...(12) HB2 LYS 94 - H ILE 40 OK 25 100 - 25 - 6871=9, 1.8/6872=5...(6) HB ILE 93 - H ILE 40 OK 21 93 - 22 - 3.0/6796=5, 2.1/765=5...(6) HG LEU 62 - H ILE 40 lone 5 97 - 5 - 2.1/762=2, 7098/4.7=1 HB2 LYS 61 - H ILE 40 lone 4 90 - 5 - 754/4.7=1 HB2 PRO 74 - H ILE 40 lone 3 92 - 3 - 754/4.7=1 HB2 GLN 48 - H ILE 40 lone 2 90 - 2 - HB3 GLU 65 - H ILE 40 lone 2 100 - 2 - HG2 GLU 87 - H ILE 40 lone 1 78 - 1 - Peak 163 from nnoeabs.peaks (0.89, 8.71, 131.84 ppm; 3.19 A): 4 out of 5 assignments used, quality = 0.94: * QG2 ILE 39 + H ILE 40 OK 85 100 - 85 - 3.8=61, 3.2/4150=18...(13) QD1 ILE 39 + H ILE 40 OK 36 65 - 56 - 3.0/4152=15, 4.1/4150=13...(9) QD1 ILE 51 + H ILE 40 OK 25 93 - 27 - 5708=9, 7162/4.7=5...(9) QG1 VAL 18 + H ILE 40 OK 13 90 - 14 - 4061=4, 2.1/763=2...(4) QG2 THR 42 - H ILE 40 lone 6 97 - 7 - 7162/4.7=1, 3.2/4416=1 Peak 165 from nnoeabs.peaks (1.28, 8.71, 131.84 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.91: * HG13 ILE 39 + H ILE 40 OK 87 100 - 87 - 1981/3.8=29, 3.8/4150=27...(10) HG12 ILE 16 + H ILE 40 OK 22 100 - 22 - ~5432=4, 757/4.7=4...(7) HG3 LYS 35 + H ILE 40 OK 14 85 - 17 - 5442/4.7=8, 1981/3.8=3...(5) QB ALA 98 - H ILE 40 lone 9 85 - 10 - 6988/4.7=2, 1967/3.6=2...(4) QG2 THR 26 - H ILE 40 lone 6 83 - 7 - 4919/1140=1, 4928/4.0=1 Peak 166 from nnoeabs.peaks (0.91, 8.71, 131.84 ppm; 3.46 A): 3 out of 3 assignments used, quality = 0.89: * QD1 ILE 39 + H ILE 40 OK 66 100 - 67 - 3.0/4152=18, 4.1/4150=15...(9) QG2 ILE 39 + H ILE 40 OK 60 65 - 92 - 3.8=77, 3.2/4150=21...(13) QG2 ILE 27 + H ILE 40 OK 17 92 - 18 - 3.2/4410=4, 4930=4...(5) Peak 168 from nnoeabs.peaks (3.79, 8.68, 130.16 ppm; 2.94 A): 1 out of 7 assignments used, quality = 0.81: * HA ILE 40 + H LYS 41 OK 81 100 - 81 - 3.6=56, 3.2/170=14...(13) HA LYS 77 - H LYS 41 lone 4 100 - 4 - HA2 GLY 22 - H LYS 41 lone 3 90 - 3 - 4831/4.1=2 HA2 GLY 60 - H LYS 41 lone 2 71 - 3 - ~5929=2 HD2 PRO 92 - H LYS 41 lone 2 100 - 2 - HA SER 89 - H LYS 41 lone 1 98 - 1 - HB3 SER 11 - H LYS 41 lone 1 100 - 1 - Peak 169 from nnoeabs.peaks (1.68, 8.68, 130.16 ppm; 3.92 A): 1 out of 18 assignments used, quality = 0.93: * HB ILE 40 + H LYS 41 OK 93 100 - 93 - 4.5=68, 3.0/168=33...(10) HG12 ILE 39 - H LYS 41 OK 17 97 - 18 - 4153/4.6=8, ~5459=2...(4) QB ALA 79 - H LYS 41 OK 15 93 - 16 - 6494/5456=6, 6474/4.0=2...(6) HD3 LYS 45 - H LYS 41 OK 15 85 - 18 - 2.9/771=5, 2.9/770=5...(5) HD2 LYS 45 - H LYS 41 OK 14 81 - 18 - 2.9/771=5, 2.9/770=5...(5) HD2 LYS 61 - H LYS 41 lone 8 100 - 8 - 3.0/770=2, 3.0/770=2, ~2054=1 HD3 LYS 61 - H LYS 41 lone 8 100 - 8 - 3.0/770=2, 3.0/770=2, ~2054=1 HD2 LYS 94 - H LYS 41 lone 8 100 - 8 - 2.9/771=2, 761/4.6=1 HD3 LYS 94 - H LYS 41 lone 8 100 - 8 - 2.9/771=2, 761/4.6=1 HD3 LYS 35 - H LYS 41 lone 5 100 - 5 - 3.6/5457=2 HD3 LYS 44 - H LYS 41 lone 4 100 - 4 - 3.0/768=1 HD2 LYS 44 - H LYS 41 lone 4 100 - 4 - 3.0/768=1 HG12 ILE 27 - H LYS 41 lone 4 73 - 6 - 3.2/4930=1 HB3 LYS 61 - H LYS 41 lone 4 73 - 5 - 3.0/770=2, 3.0/770=2 HD2 LYS 77 - H LYS 41 lone 3 83 - 3 - HD3 LYS 63 - H LYS 41 lone 2 100 - 2 - HG3 ARG 57 - H LYS 41 lone 1 100 - 1 - HG2 ARG 57 - H LYS 41 lone 1 100 - 1 - Peak 170 from nnoeabs.peaks (0.82, 8.68, 130.16 ppm; 3.11 A): 2 out of 8 assignments used, quality = 0.85: * QG2 ILE 40 + H LYS 41 OK 82 100 - 82 - 4.1=43, 3.2/168=21...(19) QG2 ILE 16 + H LYS 41 OK 13 93 - 14 - 4625/5485=3, 3.2/769=2...(4) QG1 VAL 30 - H LYS 41 poor 10 71 - 14 - 5462/4.0=2, ~5470=2...(6) QD2 LEU 62 - H LYS 41 lone 4 78 - 5 - QG2 VAL 25 - H LYS 41 lone 4 100 - 4 - QD1 ILE 93 - H LYS 41 lone 4 63 - 6 - 2.1/771=2 QG2 ILE 80 - H LYS 41 lone 3 63 - 4 - QG1 VAL 25 - H LYS 41 lone 2 73 - 2 - Peak 171 from nnoeabs.peaks (1.64, 8.68, 130.16 ppm; 3.79 A): 4 out of 9 assignments used, quality = 1.00: * HG12 ILE 40 + H LYS 41 OK 84 100 - 85 - 1.8/172=30, 3.8/168=25...(17) HD2 LYS 41 + H LYS 41 OK 82 93 - 88 - 5.8=27, 3.8/769=21...(24) HD3 LYS 41 + H LYS 41 OK 82 93 - 88 - 5.8=27, 3.8/769=21...(24) HB2 MET 50 + H LYS 41 OK 72 97 - 74 - 5696=23, 1.8/5697=14...(17) HB VAL 18 - H LYS 41 OK 11 100 - 10 - 6138/5456=2, ~5459=1...(4) HG12 ILE 27 - H LYS 41 poor 9 87 - 10 - 4159=2, 763/4.6=1, 5452/5456=1 QB ALA 79 - H LYS 41 poor 7 63 - 11 - 6494/5456=3, 4.7/770=1 HB3 LYS 61 - H LYS 41 lone 5 87 - 5 - 3.0/770=2, 3.0/770=1 HG3 GLN 19 - H LYS 41 lone 3 99 - 3 - Peak 172 from nnoeabs.peaks (0.53, 8.68, 130.16 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.90: * HG13 ILE 40 + H LYS 41 OK 90 100 - 90 - 2009/3.6=33, 4160=31...(13) Peak 174 from nnoeabs.peaks (8.68, 8.47, 118.31 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.96: * H LYS 41 + H THR 42 OK 96 100 - 97 - 4.6=82, 3.0/175=36...(20) H ALA 31 - H THR 42 OK 20 65 - 31 - 2.9/176=6, 2056/4.6=5...(8) H LYS 41 - H THR 15 OK 14 62 - 23 - 3.0/175=3, 1093=3...(9) H ALA 31 - H THR 15 lone 2 34 - 7 - 1148/4.6=2 Peak 175 from nnoeabs.peaks (4.06, 8.47, 118.31 ppm; 2.67 A): 1 out of 8 assignments used, quality = 0.69: * HA LYS 41 + H THR 42 OK 69 100 - 69 - 3.6=42, 5500/4.0=8...(13) HA LYS 41 - H THR 15 lone 6 62 - 10 - 4162=3, 3.0/177=1, 3.0/174=1 HA ILE 39 - H THR 42 lone 3 60 - 6 - 3.2/779=2 HA3 GLY 38 - H THR 42 lone 3 78 - 3 - HA ILE 39 - H THR 15 lone 1 30 - 4 - 3.2/5379=1 HB3 SER 29 - H THR 42 lone 1 85 - 1 - HA3 GLY 38 - H THR 15 lone 1 42 - 2 - HB3 SER 29 - H THR 15 lone 0 46 - 0 - Peak 176 from nnoeabs.peaks (1.47, 8.47, 118.31 ppm; 3.47 A): 5 out of 16 assignments used, quality = 0.92: * HB2 LYS 41 + H THR 42 OK 83 100 - 83 - 4.6=42, 3.0/175=28...(14) QB ALA 31 + H THR 42 OK 29 99 - 29 - 5492/4.0=4, 768/4.6=3...(11) QG2 THR 67 + H THR 15 OK 16 49 - 33 - 6082/3.0=16, 4570/4.0=11...(4) HB2 LYS 41 + H THR 15 OK 12 62 - 20 - 1.8/177=3, 3.0/175=3...(11) HB ILE 51 + H THR 42 OK 11 96 - 12 - 768/4.6=2, 3.2/779=2, 5492/4.0=2 QG2 THR 67 - H THR 42 lone 9 89 - 10 - 6057/4.6=2, 6079/3.0=2 HG12 ILE 80 - H THR 42 lone 7 89 - 8 - HG2 LYS 44 - H THR 42 lone 6 100 - 6 - 5492/4.0=2 HG2 LYS 86 - H THR 42 lone 6 68 - 9 - 3.0/178=1, 4.8/6693=1 HB ILE 51 - H THR 15 lone 5 55 - 9 - 4570/4.0=2, 4576/4.6=2 QB ALA 31 - H THR 15 lone 4 61 - 7 - 5079/4.6=2, 4570/4.0=1 HG12 ILE 80 - H THR 15 lone 3 49 - 6 - 4576/4.6=2, 4570/4.0=1 HG3 LYS 94 - H THR 42 lone 2 63 - 4 - HG2 LYS 44 - H THR 15 lone 1 62 - 2 - HG2 LYS 86 - H THR 15 lone 1 35 - 2 - HG3 LYS 94 - H THR 15 lone 1 32 - 2 - Peak 177 from nnoeabs.peaks (1.20, 8.47, 118.31 ppm; 3.97 A): 1 out of 8 assignments used, quality = 0.93: * HB3 LYS 41 + H THR 42 OK 93 100 - 93 - 4.6=63, 3.0/175=34...(16) HG13 ILE 16 - H THR 15 OK 15 40 - 38 - 622/4.6=10, ~4565=7...(9) HB3 LYS 41 - H THR 15 OK 14 62 - 23 - 3.0/175=3, 1.8/4163=3...(11) HG13 ILE 37 - H THR 42 OK 11 89 - 12 - 769/4.6=2, 2.1/5324=2, 3.2/779=1 HG13 ILE 16 - H THR 42 OK 10 76 - 13 - 769/4.6=2, 4.6/1094=2...(7) HG13 ILE 37 - H THR 15 lone 3 49 - 7 - ~4622=1 QG2 THR 59 - H THR 42 lone 2 63 - 3 - QG2 THR 59 - H THR 15 lone 1 32 - 2 - Peak 178 from nnoeabs.peaks (1.40, 8.47, 118.31 ppm; 3.61 A): 4 out of 14 assignments used, quality = 0.82: * HG2 LYS 41 + H THR 42 OK 73 100 - 73 - 4.0/175=21, 1.8/179=21...(12) HG3 LYS 45 + H THR 42 OK 14 100 - 15 - 1.8/179=4, 2050/3.6=4...(5) QB ALA 78 + H THR 42 OK 14 100 - 14 - 6454/4.6=2, 6433=2...(5) HG2 LYS 41 + H THR 15 OK 12 62 - 18 - 1.8/179=3, 4165=3...(10) HD3 LYS 86 - H THR 42 lone 7 73 - 9 - 3.0/179=2, 2050/3.6=1 HG2 LYS 61 - H THR 42 lone 5 76 - 7 - 3.9/7049=1, 2050/3.6=1 HG3 LYS 61 - H THR 42 lone 5 73 - 7 - 3.9/7049=1, 2050/3.6=1 HB3 LEU 53 - H THR 42 lone 4 98 - 4 - QB ALA 78 - H THR 15 lone 2 62 - 4 - HB3 LEU 53 - H THR 15 lone 1 58 - 2 - HG3 LYS 45 - H THR 15 lone 1 61 - 2 - HD3 LYS 86 - H THR 15 lone 1 38 - 2 - HG2 LYS 61 - H THR 15 lone 1 40 - 1 - HG3 LYS 61 - H THR 15 lone 0 38 - 1 - Peak 179 from nnoeabs.peaks (1.51, 8.47, 118.31 ppm; 3.32 A): 2 out of 18 assignments used, quality = 0.69: * HG3 LYS 41 + H THR 42 OK 65 100 - 65 - 4.0/175=18, 1.8/178=16...(12) HG2 LYS 45 + H THR 42 OK 12 99 - 13 - 2051/3.6=3, 1.8/178=3...(5) HG3 LYS 41 - H THR 15 poor 9 62 - 15 - 1.8/178=3, 3.0/177=2...(9) HG2 LYS 86 - H THR 42 lone 9 95 - 10 - 2051/3.6=1, 3.0/178=1...(4) HG13 ILE 93 - H THR 42 lone 7 95 - 7 - 2051/3.6=1 HG2 LYS 94 - H THR 42 lone 6 100 - 5 - 2051/3.6=1 HG LEU 53 - H THR 42 lone 3 98 - 3 - HG13 ILE 93 - H THR 15 lone 2 54 - 4 - HB3 LYS 94 - H THR 42 lone 2 60 - 3 - HB3 LEU 62 - H THR 42 lone 1 87 - 2 - HG2 LYS 86 - H THR 15 lone 1 54 - 3 - HG LEU 53 - H THR 15 lone 1 58 - 2 - HG2 LYS 94 - H THR 15 lone 1 62 - 2 - HB3 LYS 63 - H THR 42 lone 1 81 - 1 - HB3 LEU 62 - H THR 15 lone 1 48 - 2 - HG2 LYS 45 - H THR 15 lone 1 60 - 1 - HB3 LYS 63 - H THR 15 lone 1 43 - 1 - HB3 LYS 94 - H THR 15 lone 0 30 - 1 - Peak 180 from nnoeabs.peaks (1.63, 8.47, 118.31 ppm; 4.12 A): 3 out of 14 assignments used, quality = 0.97: HD3 LYS 41 + H THR 42 OK 75 100 - 75 - 3.0/179=20, 3.0/178=18...(11) * HD2 LYS 41 + H THR 42 OK 75 100 - 75 - 3.0/179=20, 3.0/178=18...(11) HB2 MET 50 + H THR 42 OK 47 73 - 64 - 5696/4.6=12, 4.0/5506=10...(14) HG12 ILE 40 - H THR 42 OK 32 93 - 35 - 4159/4.6=11, 2053/3.6=5...(8) QB ALA 76 - H THR 15 OK 18 35 - 51 - 6378/3.6=17, 6399/3.0=14...(8) HD3 LYS 41 - H THR 15 OK 18 62 - 28 - 3.0/178=3, 3.0/179=3...(14) HD2 LYS 41 - H THR 15 OK 18 62 - 28 - 3.0/178=3, 3.0/179=3...(14) HB VAL 18 - H THR 42 lone 8 97 - 8 - 2.1/4687=2 HG12 ILE 40 - H THR 15 poor 6 53 - 12 - ~4564=2, 2.1/5396=2...(5) QB ALA 76 - H THR 42 lone 6 68 - 9 - 6401=1 HB VAL 18 - H THR 15 lone 5 57 - 8 - 4577/4.6=4 HB2 MET 50 - H THR 15 lone 3 38 - 7 - 2.9/5504=1 HG3 GLN 19 - H THR 15 lone 2 43 - 5 - ~4738=2, ~4739=2 HG3 GLN 19 - H THR 42 lone 2 81 - 2 - Peak 181 from nnoeabs.peaks (1.63, 8.47, 118.31 ppm; 4.12 A): 3 out of 14 assignments used, quality = 0.97: * HD3 LYS 41 + H THR 42 OK 75 100 - 75 - 3.0/179=20, 3.0/178=18...(11) HD2 LYS 41 + H THR 42 OK 75 100 - 75 - 3.0/179=20, 3.0/178=18...(11) HB2 MET 50 + H THR 42 OK 47 73 - 64 - 5696/4.6=12, 4.0/5506=10...(14) HG12 ILE 40 - H THR 42 OK 32 93 - 35 - 4159/4.6=11, 2053/3.6=5...(8) QB ALA 76 - H THR 15 OK 18 35 - 51 - 6378/3.6=17, 6399/3.0=14...(8) HD3 LYS 41 - H THR 15 OK 18 62 - 28 - 3.0/178=3, 3.0/179=3...(14) HD2 LYS 41 - H THR 15 OK 18 62 - 28 - 3.0/178=3, 3.0/179=3...(14) HB VAL 18 - H THR 42 lone 8 97 - 8 - 2.1/4687=2 HG12 ILE 40 - H THR 15 poor 6 53 - 12 - ~4564=2, 2.1/5396=2...(5) QB ALA 76 - H THR 42 lone 6 68 - 9 - 6401=1 HB VAL 18 - H THR 15 lone 5 57 - 8 - 4577/4.6=4 HB2 MET 50 - H THR 15 lone 3 38 - 7 - 2.9/5504=1 HG3 GLN 19 - H THR 15 lone 2 43 - 5 - ~4738=2, ~4739=2 HG3 GLN 19 - H THR 42 lone 2 81 - 2 - Peak 184 from nnoeabs.peaks (8.47, 8.81, 124.15 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H THR 42 + H ASN 43 OK 100 100 - 100 - 4.6=100 Peak 185 from nnoeabs.peaks (4.38, 8.81, 124.15 ppm; 2.79 A): 2 out of 10 assignments used, quality = 0.72: * HA THR 42 + H ASN 43 OK 67 100 - 67 - 3.6=48, 3.2/4173=13...(10) HB THR 46 + H ASN 43 OK 17 96 - 18 - 4.4/5513=6, 5523/4.0=3...(7) HA SER 29 - H ASN 43 lone 7 100 - 7 - 2.9/94=2, 3.6/1142=2 HA PRO 73 - H ASN 43 lone 5 90 - 5 - HA PRO 74 - H ASN 43 lone 4 76 - 5 - 2.3/5524=2 HA ALA 98 - H ASN 43 lone 3 98 - 3 - 2.1/6985=1 HA SER 11 - H ASN 43 lone 2 78 - 3 - 4.8/5521=2 HA TRP 82 - H ASN 43 lone 1 87 - 1 - HA LEU 62 - H ASN 43 lone 1 89 - 1 - HA LYS 61 - H ASN 43 lone 0 63 - 1 - Peak 186 from nnoeabs.peaks (3.73, 8.81, 124.15 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.81: * HB THR 42 + H ASN 43 OK 79 100 - 79 - 4.7=48, 2.1/4173=28...(8) HA VAL 30 + H ASN 43 OK 11 92 - 11 - 3.0/1142=3, 5.0/5079=2...(4) HB2 SER 69 - H ASN 43 poor 9 57 - 17 - 3.0/6211=4, 4.0/5520=4...(5) HA2 GLY 64 - H ASN 43 lone 3 95 - 3 - 5980/4.6=1 HA2 GLY 20 - H ASN 43 lone 2 100 - 2 - Peak 187 from nnoeabs.peaks (0.88, 8.81, 124.15 ppm; 3.24 A): 3 out of 6 assignments used, quality = 0.84: * QG2 THR 42 + H ASN 43 OK 79 100 - 79 - 4.2=45, 2.1/186=21...(11) QD1 ILE 51 + H ASN 43 OK 13 100 - 13 - 5620/5521=2, 5532/4.0=2...(7) QG2 ILE 39 + H ASN 43 OK 12 97 - 12 - 5532/4.0=2, 5533/2.9=2...(4) QG1 VAL 18 - H ASN 43 lone 6 100 - 6 - QG2 VAL 30 - H ASN 43 lone 5 63 - 8 - 3.9/1142=2, 3.2/186=2 QG2 ILE 37 - H ASN 43 lone 2 68 - 2 - Peak 188 from nnoeabs.peaks (3.99, 8.31, 117.32 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + H LYS 45 OK 100 100 - 100 - 3.6=100 Peak 189 from nnoeabs.peaks (1.86, 8.31, 117.32 ppm; 4.03 A): 3 out of 11 assignments used, quality = 0.95: * HB2 LYS 44 + H LYS 45 OK 76 100 - 76 - 4.6=67, 2.9/192=19...(6) HB3 LYS 44 + H LYS 45 OK 76 100 - 76 - 4.6=67, 2.9/192=19...(6) HB2 LYS 61 + H LYS 45 OK 12 78 - 16 - 3.0/791=3, 3.0/791=3...(6) HB2 LYS 63 - H LYS 45 poor 10 81 - 12 - 1.8/790=3, 4261=2, 3.9/1107=1 HB ILE 27 - H LYS 45 lone 7 99 - 7 - 4943/3.6=2, 2.8/5546=2 HB ILE 37 - H LYS 45 lone 6 100 - 6 - HD3 LYS 77 - H LYS 45 lone 5 99 - 5 - HB ILE 16 - H LYS 45 lone 2 100 - 2 - HB2 PRO 74 - H LYS 45 lone 1 76 - 1 - HB2 GLU 87 - H LYS 45 lone 1 73 - 1 - HB2 PRO 92 - H LYS 45 lone 1 99 - 1 - Peak 190 from nnoeabs.peaks (1.86, 8.31, 117.32 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.94: * HB3 LYS 44 + H LYS 45 OK 76 100 - 76 - 4.6=67, 2.9/192=19...(6) HB2 LYS 44 + H LYS 45 OK 76 100 - 76 - 4.6=67, 2.9/192=19...(6) HB2 LYS 63 - H LYS 45 OK 11 87 - 12 - 1.8/790=3, 4261=2, 3.9/1107=1 HB2 LYS 61 - H LYS 45 OK 11 71 - 15 - 3.0/791=3, 3.0/791=3...(6) HB ILE 27 - H LYS 45 lone 8 100 - 7 - 4943/3.6=2, 2.8/5546=2 HB ILE 37 - H LYS 45 lone 6 99 - 6 - HD3 LYS 77 - H LYS 45 lone 5 100 - 5 - HB2 LEU 62 - H LYS 45 lone 2 60 - 4 - 1.8/790=1 HB ILE 16 - H LYS 45 lone 2 100 - 2 - HB2 GLU 87 - H LYS 45 lone 1 81 - 1 - HB2 PRO 92 - H LYS 45 lone 1 100 - 1 - HB2 PRO 74 - H LYS 45 lone 1 68 - 1 - Peak 191 from nnoeabs.peaks (1.47, 8.31, 117.32 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 44 + H LYS 45 OK 100 100 - 100 - 4.9=100 Peak 192 from nnoeabs.peaks (1.55, 8.31, 117.32 ppm; 4.36 A): 1 out of 9 assignments used, quality = 0.82: * HG3 LYS 44 + H LYS 45 OK 82 100 - 82 - 4.9=71, 2.9/189=13...(7) HB3 LYS 94 - H LYS 45 lone 9 89 - 10 - 3868/4.9=2, 3.4/193=1, 3.4/193=1 HB3 LYS 63 - H LYS 45 poor 8 71 - 11 - 1.8/4261=3, 3.9/1107=1 HD2 LYS 86 - H LYS 45 lone 5 96 - 5 - 1.8/791=2 HB3 PRO 49 - H LYS 45 lone 4 98 - 4 - 2.3/789=2 HG2 LYS 77 - H LYS 45 lone 4 93 - 4 - HG3 LYS 77 - H LYS 45 lone 4 92 - 4 - HB3 LEU 62 - H LYS 45 lone 2 63 - 4 - 4.4/1107=1 HB3 GLU 87 - H LYS 45 lone 1 100 - 1 - Peak 193 from nnoeabs.peaks (1.68, 8.31, 117.32 ppm; 4.72 A): 4 out of 18 assignments used, quality = 0.99: HD3 LYS 45 + H LYS 45 OK 73 83 - 88 - 6.3=43, 2.9/790=24...(20) HD2 LYS 45 + H LYS 45 OK 69 78 - 88 - 6.3=43, 2.9/790=24...(20) * HD2 LYS 44 + H LYS 45 OK 64 100 - 64 - 3.0/192=24, 3.8/189=13...(14) HD3 LYS 44 + H LYS 45 OK 64 100 - 64 - 3.0/192=24, 3.8/189=13...(14) HD3 LYS 61 - H LYS 45 OK 34 100 - 34 - 3.0/791=5, 3.0/791=4...(17) HD2 LYS 61 - H LYS 45 OK 34 100 - 34 - 3.0/791=5, 3.0/791=4...(17) HD2 LYS 94 - H LYS 45 OK 18 100 - 18 - 2.9/790=3, 3.4/192=2, 2171/3.6=1 HD3 LYS 94 - H LYS 45 OK 18 100 - 18 - 2.9/790=3, 3.4/192=2, 2171/3.6=1 HB3 LYS 61 - H LYS 45 OK 17 76 - 22 - 3.0/791=5, 3.0/791=4...(7) HD3 LYS 63 - H LYS 45 OK 16 100 - 16 - 3.9/790=2, 3.9/4261=2, ~2937=1 QB ALA 79 - H LYS 45 OK 11 95 - 12 - 4.7/791=3, 6463/4.6=2 HB ILE 40 - H LYS 45 lone 8 100 - 7 - 2011/1083=1, 3.2/5398=1 HG12 ILE 27 - H LYS 45 lone 7 76 - 9 - 1.8/5546=3, 2.8/189=2 HD2 LYS 77 - H LYS 45 lone 7 81 - 8 - 3.0/192=1, 3.0/192=1, 1.8/189=1 HD3 LYS 35 - H LYS 45 lone 6 100 - 6 - HG12 ILE 39 - H LYS 45 lone 4 97 - 4 - HG3 ARG 57 - H LYS 45 lone 3 100 - 3 - HG2 ARG 57 - H LYS 45 lone 3 100 - 3 - Peak 194 from nnoeabs.peaks (1.68, 8.31, 117.32 ppm; 4.72 A): 4 out of 18 assignments used, quality = 0.99: HD3 LYS 45 + H LYS 45 OK 75 85 - 88 - 6.3=43, 2.9/790=24...(20) HD2 LYS 45 + H LYS 45 OK 71 81 - 88 - 6.3=43, 2.9/790=24...(20) HD2 LYS 44 + H LYS 45 OK 64 100 - 64 - 3.0/192=24, 3.8/189=13...(14) * HD3 LYS 44 + H LYS 45 OK 64 100 - 64 - 3.0/192=24, 3.8/189=13...(14) HD3 LYS 61 - H LYS 45 OK 34 100 - 34 - 3.0/791=5, 3.0/791=4...(17) HD2 LYS 61 - H LYS 45 OK 34 100 - 34 - 3.0/791=5, 3.0/791=4...(17) HD3 LYS 94 - H LYS 45 OK 18 100 - 18 - 2.9/790=3, 3.4/192=2, 2171/3.6=1 HD2 LYS 94 - H LYS 45 OK 18 100 - 18 - 2.9/790=3, 3.4/192=2, 2171/3.6=1 HB3 LYS 61 - H LYS 45 OK 16 73 - 22 - 3.0/791=5, 3.0/791=4...(7) HD3 LYS 63 - H LYS 45 OK 16 100 - 16 - 3.9/790=2, 3.9/4261=2, ~2937=1 QB ALA 79 - H LYS 45 OK 11 93 - 12 - 4.7/791=3, 6463/4.6=2 HB ILE 40 - H LYS 45 lone 8 100 - 7 - 2011/1083=1, 3.2/5398=1 HD2 LYS 77 - H LYS 45 lone 7 83 - 8 - 3.0/192=1, 3.0/192=1, 1.8/189=1 HG12 ILE 27 - H LYS 45 lone 7 73 - 9 - 1.8/5546=3, 2.8/189=2 HD3 LYS 35 - H LYS 45 lone 6 100 - 6 - HG12 ILE 39 - H LYS 45 lone 4 97 - 4 - HG2 ARG 57 - H LYS 45 lone 3 100 - 3 - HG3 ARG 57 - H LYS 45 lone 3 100 - 3 - Peak 197 from nnoeabs.peaks (8.31, 7.42, 105.38 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 45 + H THR 46 OK 82 100 - 82 - 4.6=56, 5547/4.7=13...(9) H ASP 32 + H THR 46 OK 12 100 - 12 - 3.6/5076=2, 2267/4.0=2 H GLY 64 - H THR 46 lone 5 87 - 6 - Peak 198 from nnoeabs.peaks (4.24, 7.42, 105.38 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 45 + H THR 46 OK 100 100 - 100 - 3.6=100 Peak 199 from nnoeabs.peaks (1.95, 7.42, 105.38 ppm; 3.32 A): 2 out of 9 assignments used, quality = 0.94: * HB2 LYS 45 + H THR 46 OK 76 100 - 76 - 4.0=56, 4.0/1095=15...(8) HB3 LYS 45 + H THR 46 OK 76 100 - 76 - 4.0=56, 4.0/1095=15...(8) HG3 PRO 49 - H THR 46 lone 7 97 - 7 - 2.3/5555=4 HG3 PRO 73 - H THR 46 lone 6 100 - 6 - 5563/4.0=2, 3.8/798=1 HB VAL 95 - H THR 46 lone 6 100 - 6 - 6877/2.9=2, 5579/4.7=1 HB2 LYS 77 - H THR 46 lone 3 63 - 5 - 3.7/5545=3, 4.7/1181=1 HB3 GLU 28 - H THR 46 lone 1 63 - 2 - 3.0/5556=2 HB2 GLU 65 - H THR 46 lone 1 65 - 1 - HG2 GLN 19 - H THR 46 lone 1 71 - 1 - Peak 200 from nnoeabs.peaks (1.95, 7.42, 105.38 ppm; 3.32 A): 2 out of 9 assignments used, quality = 0.94: HB2 LYS 45 + H THR 46 OK 76 100 - 76 - 4.0=56, 4.0/1095=15...(8) * HB3 LYS 45 + H THR 46 OK 76 100 - 76 - 4.0=56, 4.0/1095=15...(8) HG3 PRO 49 - H THR 46 lone 7 97 - 7 - 2.3/5555=4 HG3 PRO 73 - H THR 46 lone 6 100 - 6 - 5563/4.0=2, 3.8/798=1 HB VAL 95 - H THR 46 lone 6 100 - 6 - 6877/2.9=2, 5579/4.7=1 HB2 LYS 77 - H THR 46 lone 3 63 - 5 - 3.7/5545=3, 4.7/1181=1 HB3 GLU 28 - H THR 46 lone 1 63 - 2 - 3.0/5556=2 HB2 GLU 65 - H THR 46 lone 1 65 - 1 - HG2 GLN 19 - H THR 46 lone 1 71 - 1 - Peak 201 from nnoeabs.peaks (1.51, 7.42, 105.38 ppm; 5.08 A): 5 out of 10 assignments used, quality = 0.86: * HG2 LYS 45 + H THR 46 OK 75 100 - 75 - 4186=29, 4.9/1095=28...(6) HG2 LYS 86 + H THR 46 OK 17 83 - 20 - 3.0/202=5, 3583/2.9=4...(5) HD2 LYS 86 + H THR 46 OK 16 65 - 24 - 1.8/202=6, ~3613=3...(7) HG3 LYS 41 + H THR 46 OK 12 99 - 12 - 4186=4, 1.8/202=2, 790/4.6=2 HG13 ILE 93 + H THR 46 OK 10 99 - 10 - 7130/4.7=3, ~6817=2, ~6823=2 HG2 LYS 94 - H THR 46 lone 8 98 - 8 - 7130/4.7=3, 790/4.6=2 HB3 LYS 63 - H THR 46 lone 6 93 - 6 - 790/4.6=2, 4.7/197=2 HB3 LYS 94 - H THR 46 lone 5 78 - 7 - ~6864=3, 790/4.6=2 HB3 LEU 62 - H THR 46 lone 5 97 - 5 - HG LEU 53 - H THR 46 lone 3 90 - 4 - 3.0/202=1 Peak 202 from nnoeabs.peaks (1.40, 7.42, 105.38 ppm; 5.20 A): 3 out of 7 assignments used, quality = 0.86: * HG3 LYS 45 + H THR 46 OK 74 100 - 74 - 4.9/1095=29, 1.8/4186=26...(6) QB ALA 78 + H THR 46 OK 30 100 - 30 - 6430=8, 2.9/1181=4...(10) HD3 LYS 86 + H THR 46 OK 24 85 - 28 - 1.8/201=4, ~3603=4...(9) HG2 LYS 41 - H THR 46 lone 10 100 - 10 - 1.8/4186=3, 791/4.6=2 HG2 LYS 61 - H THR 46 lone 8 87 - 10 - 791/4.6=4, 2252/3.6=3 HG3 LYS 61 - H THR 46 lone 8 85 - 9 - 791/4.6=4, 2252/3.6=3 HB3 LEU 53 - H THR 46 lone 6 93 - 6 - Peak 207 from nnoeabs.peaks (7.42, 8.64, 111.48 ppm; 2.96 A): 1 out of 3 assignments used, quality = 0.71: * H THR 46 + H GLY 47 OK 71 100 - 71 - 1096=40, 799/4.3=11...(13) QD PHE 34 - H GLY 47 lone 8 99 - 7 - 5573/3.0=2, 5572/3.0=1 H ALA 76 - H GLY 47 lone 5 81 - 6 - 3.6/5574=1 Peak 208 from nnoeabs.peaks (4.47, 8.64, 111.48 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H GLY 47 OK 100 100 - 100 - 3.6=100 Peak 209 from nnoeabs.peaks (4.39, 8.64, 111.48 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + H GLY 47 OK 100 100 - 100 - 4.4=100 Peak 210 from nnoeabs.peaks (1.13, 8.64, 111.48 ppm; 4.12 A): 1 out of 5 assignments used, quality = 0.96: * QG2 THR 46 + H GLY 47 OK 96 100 - 96 - 4.3=89, 2346/3.6=31...(11) HB3 LEU 21 - H GLY 47 lone 6 68 - 9 - 5609/4.6=1, 2.9/801=1, 799/4.7=1 HB2 LEU 21 - H GLY 47 lone 5 63 - 8 - 2.9/801=1, 5609/4.6=1, 799/4.7=1 QG2 THR 15 - H GLY 47 lone 5 63 - 7 - 5609/4.6=2, 5531/5575=1 HG LEU 21 - H GLY 47 lone 4 65 - 6 - Peak 211 from nnoeabs.peaks (8.64, 7.66, 118.77 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.72: * H GLY 47 + H GLN 48 OK 72 100 - 72 - 4.6=32, 801/3.6=17...(14) H GLY 85 - H GLN 48 lone 3 78 - 3 - Peak 212 from nnoeabs.peaks (3.67, 7.66, 118.77 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HA2 GLY 47 + H GLN 48 OK 99 100 - 99 - 3.6=99 HD3 PRO 49 + H GLN 48 OK 86 99 - 86 - 4.8=41, 5633/3.0=24...(15) HD2 PRO 74 - H GLN 48 OK 14 92 - 15 - 2.5/5590=3, 5600/3.8=2...(6) HA LEU 21 - H GLN 48 lone 8 92 - 8 - 2.9/5609=2, 2.9/5609=2 HB2 SER 69 - H GLN 48 lone 4 68 - 5 - 1.8/3058=1, 3054=1 Peak 213 from nnoeabs.peaks (4.18, 7.66, 118.77 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 47 + H GLN 48 OK 100 100 - 100 - 3.6=100 Peak 214 from nnoeabs.peaks (4.59, 8.88, 124.20 ppm; 2.87 A): 1 out of 2 assignments used, quality = 0.72: * HA PRO 49 + H MET 50 OK 72 100 - 72 - 3.6=52, 3.6/220=6...(12) HA ASP 12 - H MET 50 lone 5 90 - 6 - 5680/4.0=1, 5681/4.0=1 Peak 215 from nnoeabs.peaks (2.22, 8.88, 124.20 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + H MET 50 OK 100 100 - 100 - 3.8=100 Peak 216 from nnoeabs.peaks (1.56, 8.88, 124.20 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + H MET 50 OK 100 100 - 100 - 3.8=100 Peak 217 from nnoeabs.peaks (2.00, 8.88, 124.20 ppm; 3.94 A): 3 out of 12 assignments used, quality = 0.96: HB3 MET 50 + H MET 50 OK 70 71 - 99 - 4.0=94, 1.8/2451=34...(15) * HG2 PRO 49 + H MET 50 OK 70 100 - 70 - 3.8/214=29, 4202=18...(8) QE MET 50 + H MET 50 OK 50 60 - 84 - 6.0=28, 3.3/815=23...(14) HG3 PRO 74 - H MET 50 OK 13 85 - 15 - 2.3/220=4, 2.3/816=4...(5) HB2 GLU 23 - H MET 50 lone 6 100 - 5 - HB VAL 25 - H MET 50 lone 5 97 - 5 - 2.1/5657=1 HB3 GLU 28 - H MET 50 lone 4 71 - 6 - 3.0/815=2 HG2 PRO 92 - H MET 50 lone 2 76 - 2 - HB2 LYS 77 - H MET 50 lone 2 71 - 2 - HB3 GLN 36 - H MET 50 lone 2 96 - 2 - HB2 GLU 65 - H MET 50 lone 1 68 - 2 - HG2 GLN 19 - H MET 50 lone 1 63 - 2 - Peak 218 from nnoeabs.peaks (1.94, 8.88, 124.20 ppm; 5.71 A): 2 out of 5 assignments used, quality = 0.92: * HG3 PRO 49 + H MET 50 OK 91 100 - 91 - 3.8/214=45, 4203=34...(11) HG3 PRO 73 + H MET 50 OK 19 97 - 19 - 3.8/7052=6, 1.8/816=4...(6) HB VAL 95 - H MET 50 lone 7 99 - 7 - 6517/5657=1 HB3 LYS 45 - H MET 50 lone 4 97 - 4 - HB2 LYS 45 - H MET 50 lone 4 97 - 4 - Peak 220 from nnoeabs.peaks (3.67, 8.88, 124.20 ppm; 4.87 A): 3 out of 4 assignments used, quality = 0.86: * HD3 PRO 49 + H MET 50 OK 80 100 - 80 - 3.6/214=41, 2.3/4202=25...(10) HD2 PRO 74 + H MET 50 OK 22 81 - 26 - 2.5/7052=6, 4198=6...(7) HA2 GLY 47 + H MET 50 OK 11 99 - 12 - 5582/5509=7, 5582/5709=2 HA LEU 21 - H MET 50 lone 4 81 - 5 - 4814/5385=1 Peak 221 from nnoeabs.peaks (8.88, 7.71, 126.17 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.97: * H MET 50 + H ILE 51 OK 97 100 - 97 - 4.6=72, 3.0/4204=42...(15) H PHE 97 - H ILE 51 OK 27 96 - 28 - 2451/4.6=5, 2458/4.6=5...(10) Peak 222 from nnoeabs.peaks (4.43, 7.71, 126.17 ppm; 2.65 A): 2 out of 5 assignments used, quality = 0.72: * HA MET 50 + H ILE 51 OK 69 100 - 69 - 4204=44, 3.0/1098=11...(10) HA ASP 71 + H ILE 51 OK 11 95 - 11 - 3.0/226=2, 5713/3.8=2...(4) HA PRO 74 - H ILE 51 lone 1 78 - 2 - HA THR 59 - H ILE 51 lone 1 99 - 1 - HA PRO 73 - H ILE 51 lone 1 60 - 2 - Peak 223 from nnoeabs.peaks (1.65, 7.71, 126.17 ppm; 4.14 A): 2 out of 11 assignments used, quality = 0.99: * HB2 MET 50 + H ILE 51 OK 96 100 - 96 - 4.6=71, 3.0/4204=42...(11) HG12 ILE 27 + H ILE 51 OK 72 99 - 73 - 2.1/4936=30, 3.2/4933=26...(8) HG12 ILE 40 - H ILE 51 OK 25 97 - 26 - ~5429=6, 5419/3.0=5...(6) HD3 LYS 41 - H ILE 51 OK 13 73 - 18 - 3.8/5729=7, 3.8/820=4...(5) HD2 LYS 41 - H ILE 51 OK 13 73 - 18 - 3.8/5729=7, 3.8/820=4...(5) HB VAL 18 - H ILE 51 lone 8 95 - 8 - 2.1/824=3, 3.0/5725=2 HD2 LYS 94 - H ILE 51 poor 7 65 - 10 - 6.1/1099=3, 4938=2...(4) HD3 LYS 94 - H ILE 51 poor 7 65 - 10 - 6.1/1099=3, 4938=2...(4) QB ALA 79 - H ILE 51 lone 6 87 - 7 - 5734/4.0=2, 5746/4.9=1 HB3 LYS 61 - H ILE 51 lone 6 99 - 6 - HG3 GLN 19 - H ILE 51 lone 2 100 - 2 - Peak 224 from nnoeabs.peaks (2.03, 7.71, 126.17 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.98: * HB3 MET 50 + H ILE 51 OK 93 100 - 93 - 4.6=59, 3.0/4204=39...(10) QE MET 50 + H ILE 51 OK 74 100 - 74 - 3.3/4208=22, 4.1/4206=20...(9) HG2 PRO 49 - H ILE 51 OK 40 71 - 57 - 2.3/5629=24, 1.8/5626=17...(8) HB2 LYS 35 - H ILE 51 lone 7 78 - 9 - 3.0/5725=2, 3.8/1099=2...(4) HB2 GLU 23 - H ILE 51 lone 4 76 - 5 - 4206=2 HG2 PRO 92 - H ILE 51 lone 2 100 - 2 - HB3 GLN 36 - H ILE 51 lone 1 95 - 1 - Peak 225 from nnoeabs.peaks (2.27, 7.71, 126.17 ppm; 4.39 A): 3 out of 6 assignments used, quality = 0.95: * HG2 MET 50 + H ILE 51 OK 92 100 - 92 - 3.8/4204=38, 4207=38...(8) HB3 LYS 86 + H ILE 51 OK 18 98 - 18 - 4207=7, 2448/3.6=3...(4) HG2 GLU 28 + H ILE 51 OK 17 97 - 18 - 5003/4933=5, 5003/4936=5...(5) HG3 GLU 23 - H ILE 51 lone 5 78 - 6 - 3.0/4206=1 HB3 PRO 73 - H ILE 51 lone 5 71 - 7 - 815/4.6=2, 2448/3.6=2, 2.3/226=1 HG3 GLN 36 - H ILE 51 lone 1 57 - 2 - Peak 226 from nnoeabs.peaks (2.38, 7.71, 126.17 ppm; 4.37 A): 2 out of 5 assignments used, quality = 0.96: * HG3 MET 50 + H ILE 51 OK 94 100 - 94 - 4208=46, 3.8/4204=38...(12) HB3 ASP 71 + H ILE 51 OK 36 100 - 36 - 6248/3.0=11, 3.0/222=6...(10) HB3 PRO 74 - H ILE 51 lone 9 100 - 8 - 816/4.6=3, 2449/3.6=3 HG2 PRO 73 - H ILE 51 lone 5 78 - 6 - 816/4.6=2, 2449/3.6=1, 2.3/225=1 HG3 GLN 48 - H ILE 51 lone 4 57 - 7 - 4985/4936=3, 5615/4933=2 Peak 227 from nnoeabs.peaks (2.03, 7.71, 126.17 ppm; 3.91 A): 2 out of 8 assignments used, quality = 0.98: HB3 MET 50 + H ILE 51 OK 93 100 - 93 - 4.6=60, 3.0/4204=39...(10) * QE MET 50 + H ILE 51 OK 74 100 - 75 - 3.3/4208=23, 4.1/4206=20...(9) HG2 PRO 49 - H ILE 51 OK 32 60 - 54 - 2.3/5629=25, 1.8/5626=18...(8) HB2 LYS 35 - H ILE 51 poor 9 87 - 10 - 3.0/5725=2, 3.8/1099=2...(4) HB2 GLU 23 - H ILE 51 lone 4 65 - 5 - 4206=2 HB3 GLU 23 - H ILE 51 lone 3 63 - 4 - 1.8/4206=1 HG2 PRO 92 - H ILE 51 lone 2 99 - 2 - HB3 GLN 36 - H ILE 51 lone 1 89 - 1 - Peak 228 from nnoeabs.peaks (7.71, 8.37, 124.78 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 51 + H ASN 52 OK 98 100 - 98 - 4.6=90, 3.0/229=41...(9) Peak 229 from nnoeabs.peaks (4.80, 8.37, 124.78 ppm; 2.73 A): 1 out of 3 assignments used, quality = 0.68: * HA ILE 51 + H ASN 52 OK 68 100 - 68 - 3.6=45, 3.2/231=12...(12) HA PHE 70 - H ASN 52 lone 5 92 - 5 - 7117/5767=1, 7116/5766=1 HA THR 55 - H ASN 52 lone 4 100 - 4 - 3.2/232=1 Peak 230 from nnoeabs.peaks (1.46, 8.37, 124.78 ppm; 3.82 A): 3 out of 10 assignments used, quality = 0.98: * HB ILE 51 + H ASN 52 OK 93 100 - 93 - 4.4=65, 3.0/229=34...(15) HG13 ILE 51 + H ASN 52 OK 53 73 - 73 - 4.0/229=25, 3.2/231=24...(12) QG2 THR 67 + H ASN 52 OK 46 100 - 46 - 3.2/5774=18, 6090/4.0=9...(11) QB ALA 31 - H ASN 52 OK 17 99 - 17 - 5102/5767=6, 2.1/4436=2...(4) HG3 LYS 94 - H ASN 52 OK 13 90 - 15 - 3884=3, 2.9/3864=3...(4) HG12 ILE 80 - H ASN 52 lone 10 100 - 10 - 6503/5768=2, 6023/5775=2 HB2 LYS 41 - H ASN 52 lone 10 96 - 10 - 5478/3.6=4, 820/4.6=2 HG2 LYS 63 - H ASN 52 lone 4 73 - 6 - 7102/3.6=2, 4.2/5770=1 HG3 LYS 63 - H ASN 52 lone 4 73 - 6 - 7102/3.6=2, 4.2/5770=1 HG2 LYS 44 - H ASN 52 lone 2 92 - 2 - Peak 231 from nnoeabs.peaks (0.72, 8.37, 124.78 ppm; 3.11 A): 2 out of 2 assignments used, quality = 0.89: * QG2 ILE 51 + H ASN 52 OK 83 100 - 83 - 4.1=43, 3.2/229=23...(17) QG2 ILE 93 + H ASN 52 OK 32 100 - 32 - 4378=7, 2.1/4377=5...(13) Peak 232 from nnoeabs.peaks (1.02, 8.37, 124.78 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.88: * HG12 ILE 51 + H ASN 52 OK 78 100 - 78 - 4.0/229=26, 3.2/231=25...(12) QD1 LEU 62 + H ASN 52 OK 37 87 - 42 - 2.1/5967=8, 5959/2.9=7...(12) QG2 THR 55 + H ASN 52 OK 15 95 - 15 - 2642/3.6=3, 2504/4.1=3...(6) Peak 233 from nnoeabs.peaks (1.43, 8.37, 124.78 ppm; 3.80 A): 3 out of 10 assignments used, quality = 0.95: * HG13 ILE 51 + H ASN 52 OK 74 100 - 74 - 4.0/229=25, 3.2/231=24...(12) HB ILE 51 + H ASN 52 OK 68 73 - 92 - 4.4=64, 3.0/229=33...(15) QG2 THR 67 + H ASN 52 OK 35 85 - 41 - 3.2/5774=18, 6090/4.0=8...(10) HG3 LYS 94 - H ASN 52 OK 15 99 - 15 - 3884=3, 2.9/3864=3...(4) HD3 LYS 86 - H ASN 52 lone 7 96 - 7 - 2514/4.6=2, 2515/3.6=1 HG3 LYS 63 - H ASN 52 lone 7 100 - 7 - 7102/3.6=3, 4.2/5770=1 HG2 LYS 63 - H ASN 52 lone 7 100 - 7 - 7102/3.6=3, 4.2/5770=1 HG12 ILE 80 - H ASN 52 lone 7 85 - 8 - 6503/5768=1, 6023/5775=1 HG3 LYS 61 - H ASN 52 lone 4 96 - 4 - HG2 LYS 61 - H ASN 52 lone 3 95 - 4 - Peak 235 from nnoeabs.peaks (8.37, 8.58, 122.33 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.95: * H ASN 52 + H LEU 53 OK 95 100 - 95 - 4.6=80, 2.9/4216=42...(10) H LYS 94 - H LEU 53 OK 19 97 - 20 - 5781/4.6=4, 433/5706=3...(8) H LYS 35 - H LEU 53 OK 16 83 - 20 - 5226/4.6=5, 5781/4.6=4...(6) H ASN 24 - H LEU 53 lone 5 71 - 6 - 2.9/236=4 H ASN 14 - H LEU 53 lone 1 71 - 1 - Peak 236 from nnoeabs.peaks (4.93, 8.58, 122.33 ppm; 2.59 A): 1 out of 5 assignments used, quality = 0.60: * HA ASN 52 + H LEU 53 OK 60 100 - 61 - 3.6=38, 2.9/1100=10...(11) HA ASN 24 - H LEU 53 lone 8 97 - 8 - 5801/4.6=1, 5799/4.6=1 HA LYS 35 - H LEU 53 lone 7 81 - 9 - 5795/4.0=2, 5798/5.0=1...(6) HA VAL 95 - H LEU 53 lone 4 68 - 5 - 3.2/5816=2, 5801/4.6=1 HA VAL 18 - H LEU 53 lone 2 76 - 3 - Peak 237 from nnoeabs.peaks (2.59, 8.58, 122.33 ppm; 3.39 A): 2 out of 4 assignments used, quality = 0.94: * HB2 ASN 52 + H LEU 53 OK 75 100 - 75 - 4.3=47, 3.0/4216=30...(7) HB3 ASN 52 + H LEU 53 OK 75 100 - 75 - 4.3=47, 3.0/4216=30...(7) HB2 ASP 71 - H LEU 53 lone 4 100 - 4 - HB3 ASP 32 - H LEU 53 lone 1 57 - 2 - Peak 238 from nnoeabs.peaks (2.60, 8.58, 122.33 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.94: * HB3 ASN 52 + H LEU 53 OK 75 100 - 75 - 4.3=47, 3.0/4216=30...(7) HB2 ASN 52 + H LEU 53 OK 75 100 - 75 - 4.3=47, 3.0/4216=30...(7) HB2 ASP 71 - H LEU 53 lone 4 99 - 4 - HB3 ASP 32 - H LEU 53 lone 1 65 - 2 - HB3 ASP 12 - H LEU 53 lone 0 60 - 1 - Peak 242 from nnoeabs.peaks (4.70, 7.64, 121.87 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.91: * HA LEU 53 + H TYR 54 OK 91 100 - 91 - 3.6=86, 4.0/246=14...(7) HA THR 26 - H TYR 54 lone 8 89 - 9 - 1556/3.6=3, 2575/246=2 HA SER 96 - H TYR 54 lone 7 100 - 7 - 4697/4.6=3, 6037/5845=1 HB THR 26 - H TYR 54 lone 6 89 - 7 - 1559/3.6=3, 2575/246=2 HA GLU 87 - H TYR 54 lone 2 100 - 2 - Peak 243 from nnoeabs.peaks (1.72, 7.64, 121.87 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + H TYR 54 OK 100 100 - 100 - 4.4=100 Peak 244 from nnoeabs.peaks (1.39, 7.64, 121.87 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + H TYR 54 OK 100 100 - 100 - 4.4=100 Peak 246 from nnoeabs.peaks (0.61, 7.64, 121.87 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.85: * QD2 LEU 53 + H TYR 54 OK 85 100 - 85 - 2551/3.6=37, 4223=36...(11) Peak 247 from nnoeabs.peaks (0.77, 7.64, 121.87 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.91: * QD1 LEU 53 + H TYR 54 OK 88 100 - 88 - 2.1/246=48, 4.0/4219=39...(9) QG1 VAL 25 + H TYR 54 OK 25 76 - 33 - 4910/246=15, 3.9/844=7...(7) QD1 ILE 93 - H TYR 54 poor 9 85 - 10 - 837/4.6=4, 6853/5828=2 QD1 ILE 40 - H TYR 54 lone 6 83 - 8 - 5405/6.5=2, 837/4.6=2 Peak 248 from nnoeabs.peaks (4.80, 8.94, 123.86 ppm; 2.80 A): 1 out of 8 assignments used, quality = 0.63: * HA THR 55 + H ASP 56 OK 63 100 - 63 - 3.6=48, 3.0/249=15...(5) HA ILE 51 - H ALA 66 poor 9 61 - 15 - ~5716=4, ~6020=3...(5) HA ILE 51 - H ASP 56 lone 6 100 - 6 - 2642/4.1=1, 4.0/250=1 HA TYR 54 - H ALA 66 poor 6 33 - 18 - ~5845=5, ~6045=3...(7) HA THR 55 - H ALA 66 lone 3 62 - 4 - 3.0/4226=1, 3.2/4227=1 HA PHE 70 - H ASP 56 lone 2 83 - 3 - HA PHE 70 - H ALA 66 lone 1 44 - 3 - 3.7/4709=1 HA TYR 54 - H ASP 56 lone 0 65 - 1 - Peak 249 from nnoeabs.peaks (3.83, 8.94, 123.86 ppm; 3.37 A): 1 out of 8 assignments used, quality = 0.65: * HB THR 55 + H ASP 56 OK 65 100 - 65 - 4.6=40, 2.1/250=24...(5) HB THR 55 - H ALA 66 lone 5 62 - 8 - 4226=4, 2.1/4227=2 HD2 PRO 49 - H ALA 66 lone 2 56 - 4 - ~5638=1 HD2 PRO 49 - H ASP 56 lone 1 97 - 1 - HB2 SER 11 - H ASP 56 lone 1 90 - 1 - HA SER 89 - H ASP 56 lone 0 60 - 1 - HB2 SER 11 - H ALA 66 lone 0 50 - 1 - HA SER 89 - H ALA 66 lone 0 30 - 0 - Peak 250 from nnoeabs.peaks (1.03, 8.94, 123.86 ppm; 3.33 A): 3 out of 4 assignments used, quality = 0.83: * QG2 THR 55 + H ASP 56 OK 78 100 - 78 - 4.1=53, 2.1/249=28...(9) HG12 ILE 51 + H ALA 66 OK 13 54 - 25 - ~5716=7, ~6020=4...(8) HG12 ILE 51 + H ASP 56 OK 11 95 - 11 - 2508/3.6=2, 1.8/5886=2...(4) QG2 THR 55 - H ALA 66 lone 6 62 - 10 - 4227=3, 2.1/4226=2, 5854/4.6=1 Peak 251 from nnoeabs.peaks (4.02, 8.56, 117.38 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 57 + H GLU 58 OK 100 100 - 100 - 3.6=100 Peak 252 from nnoeabs.peaks (1.89, 8.56, 117.38 ppm; 3.45 A): 2 out of 8 assignments used, quality = 0.93: HB3 ARG 57 + H GLU 58 OK 73 100 - 73 - 4.4=50, 1.8/4229=13...(9) * HB2 ARG 57 + H GLU 58 OK 73 100 - 73 - 4.4=50, 1.8/4229=13...(9) HD3 LYS 77 - H GLU 58 lone 5 65 - 7 - 3.0/5898=2, 3.0/5898=2 HB2 LEU 62 - H GLU 58 lone 3 100 - 3 - 3.1/5966=1 HB2 LYS 63 - H GLU 58 lone 2 95 - 2 - HB ILE 27 - H GLU 58 lone 2 63 - 2 - HB2 PRO 92 - H GLU 58 lone 1 65 - 1 - HB2 GLU 87 - H GLU 58 lone 1 97 - 1 - Peak 253 from nnoeabs.peaks (1.89, 8.56, 117.38 ppm; 3.45 A): 2 out of 8 assignments used, quality = 0.93: * HB3 ARG 57 + H GLU 58 OK 73 100 - 73 - 4.4=50, 1.8/4229=13...(9) HB2 ARG 57 + H GLU 58 OK 73 100 - 73 - 4.4=50, 1.8/4229=13...(9) HD3 LYS 77 - H GLU 58 lone 5 65 - 7 - 3.0/5898=2, 3.0/5898=2 HB2 LEU 62 - H GLU 58 lone 3 100 - 3 - 3.1/5966=1 HB2 LYS 63 - H GLU 58 lone 2 95 - 2 - HB ILE 27 - H GLU 58 lone 2 63 - 2 - HB2 PRO 92 - H GLU 58 lone 1 65 - 1 - HB2 GLU 87 - H GLU 58 lone 1 97 - 1 - Peak 254 from nnoeabs.peaks (1.68, 8.56, 117.38 ppm; 3.91 A): 2 out of 18 assignments used, quality = 0.96: HG3 ARG 57 + H GLU 58 OK 79 100 - 79 - 4.9=52, 3.0/253=15...(11) * HG2 ARG 57 + H GLU 58 OK 79 100 - 79 - 4.9=52, 3.0/253=15...(11) HD2 LYS 77 - H GLU 58 lone 8 83 - 9 - 3.0/5898=3, 3.0/5898=3 HD3 LYS 61 - H GLU 58 lone 4 100 - 5 - 5920/5926=1, 5934/5927=1 HD2 LYS 61 - H GLU 58 lone 4 100 - 5 - 5920/5926=1, 5934/5927=1 HD3 LYS 63 - H GLU 58 lone 4 100 - 4 - QB ALA 79 - H GLU 58 lone 3 93 - 4 - 2661/3.6=2 HD3 LYS 35 - H GLU 58 lone 3 100 - 3 - HB3 LYS 61 - H GLU 58 lone 3 73 - 4 - 5934/5927=1, 5920/5926=1 HD3 LYS 94 - H GLU 58 lone 2 100 - 2 - HD2 LYS 94 - H GLU 58 lone 2 100 - 2 - HG12 ILE 27 - H GLU 58 lone 2 73 - 3 - 2.1/4935=1 HB ILE 40 - H GLU 58 lone 2 100 - 2 - HD2 LYS 44 - H GLU 58 lone 2 100 - 2 - HD3 LYS 44 - H GLU 58 lone 2 100 - 2 - HD3 LYS 45 - H GLU 58 lone 1 85 - 2 - HD2 LYS 45 - H GLU 58 lone 1 81 - 2 - HG12 ILE 39 - H GLU 58 lone 1 97 - 1 - Peak 255 from nnoeabs.peaks (1.68, 8.56, 117.38 ppm; 3.91 A): 2 out of 18 assignments used, quality = 0.96: * HG3 ARG 57 + H GLU 58 OK 79 100 - 79 - 4.9=52, 3.0/253=15...(11) HG2 ARG 57 + H GLU 58 OK 79 100 - 79 - 4.9=52, 3.0/253=15...(11) HD2 LYS 77 - H GLU 58 lone 7 78 - 9 - 3.0/5898=3, 3.0/5898=3 HD3 LYS 61 - H GLU 58 lone 5 100 - 5 - 5920/5926=1, 5934/5927=1 HD2 LYS 61 - H GLU 58 lone 5 100 - 5 - 5920/5926=1, 5934/5927=1 HD3 LYS 63 - H GLU 58 lone 4 100 - 4 - QB ALA 79 - H GLU 58 lone 4 96 - 4 - 2661/3.6=2 HB3 LYS 61 - H GLU 58 lone 3 78 - 4 - 5934/5927=1, 5920/5926=1 HD3 LYS 35 - H GLU 58 lone 3 100 - 3 - HG12 ILE 27 - H GLU 58 lone 3 78 - 3 - 2.1/4935=1 HD2 LYS 94 - H GLU 58 lone 3 100 - 2 - HD3 LYS 94 - H GLU 58 lone 3 100 - 2 - HB ILE 40 - H GLU 58 lone 2 100 - 2 - HD2 LYS 44 - H GLU 58 lone 2 100 - 2 - HD3 LYS 44 - H GLU 58 lone 2 100 - 2 - HD3 LYS 45 - H GLU 58 lone 1 81 - 2 - HD2 LYS 45 - H GLU 58 lone 1 76 - 2 - HG12 ILE 39 - H GLU 58 lone 1 96 - 1 - Peak 258 from nnoeabs.peaks (8.56, 8.06, 106.71 ppm; 3.32 A): 1 out of 2 assignments used, quality = 0.72: * H GLU 58 + H THR 59 OK 72 100 - 72 - 1102=42, 2712/4.6=13...(8) H LEU 53 - H THR 59 lone 4 76 - 6 - 5927/4.6=2, 5926/4.0=1 Peak 259 from nnoeabs.peaks (4.26, 8.06, 106.71 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 58 + H THR 59 OK 100 100 - 100 - 3.6=100 Peak 260 from nnoeabs.peaks (2.13, 8.06, 106.71 ppm; 3.48 A): 3 out of 8 assignments used, quality = 0.91: * HB2 GLU 58 + H THR 59 OK 77 100 - 77 - 4.6=42, 1.8/4237=21...(7) HB3 GLU 58 + H THR 59 OK 54 71 - 76 - 4.6=42, 1.8/4236=21...(7) HG2 PRO 74 + H THR 59 OK 12 68 - 17 - 2.3/4298=6, 2.3/4297=5...(4) HB3 LYS 77 - H THR 59 lone 6 71 - 8 - 3.7/1177=2, 3.0/5909=2...(4) HB2 GLN 36 - H THR 59 lone 3 81 - 4 - HB3 LYS 35 - H THR 59 lone 3 60 - 4 - 5919/4.0=2, 4442/4.0=1 HG3 GLU 65 - H THR 59 lone 2 100 - 2 - HB2 GLN 19 - H THR 59 lone 1 85 - 1 - Peak 261 from nnoeabs.peaks (2.16, 8.06, 106.71 ppm; 3.36 A): 3 out of 8 assignments used, quality = 0.89: * HB3 GLU 58 + H THR 59 OK 74 100 - 74 - 4.6=38, 1.8/4236=19...(7) HB2 GLU 58 + H THR 59 OK 51 71 - 72 - 4.6=38, 1.8/4237=20...(7) HB2 PRO 73 + H THR 59 OK 11 99 - 11 - 3.8/4298=4, 3.8/4297=3 HB3 LYS 35 - H THR 59 lone 5 100 - 5 - 4442/4.0=2, 5919/4.0=1 HB3 PRO 92 - H THR 59 lone 3 95 - 3 - 3.0/5909=2 HG3 PRO 92 - H THR 59 lone 3 89 - 3 - 2.3/5909=2 HG3 GLU 65 - H THR 59 lone 1 83 - 1 - HB2 PHE 88 - H THR 59 lone 1 81 - 1 - Peak 262 from nnoeabs.peaks (2.24, 8.06, 106.71 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.95: * HG2 GLU 58 + H THR 59 OK 93 100 - 93 - 5.0=67, 3.0/4237=26...(7) HG3 GLU 23 + H THR 59 OK 32 92 - 35 - 2710/3.6=9, 854/4.6=6...(7) HB2 PRO 49 - H THR 59 lone 4 89 - 4 - HG2 GLU 28 - H THR 59 lone 3 68 - 5 - 1.8/5905=2 Peak 263 from nnoeabs.peaks (2.31, 8.06, 106.71 ppm; 4.65 A): 1 out of 5 assignments used, quality = 0.97: * HG3 GLU 58 + H THR 59 OK 97 100 - 97 - 5.0=81, 1.8/262=30...(7) HG2 GLU 23 - H THR 59 OK 25 78 - 33 - 1.8/262=10, 855/4.6=6...(7) HB3 PRO 73 - H THR 59 OK 19 92 - 21 - 3.8/4298=7, 3.8/4297=7...(5) HG3 GLN 36 - H THR 59 lone 7 97 - 7 - 5918/4.0=3 HG2 GLN 48 - H THR 59 lone 1 57 - 1 - Peak 264 from nnoeabs.peaks (8.06, 8.43, 111.14 ppm; 3.21 A): 1 out of 4 assignments used, quality = 0.70: * H THR 59 + H GLY 60 OK 70 100 - 70 - 1103=40, 2744/4.2=13...(10) H VAL 68 - H GLY 60 lone 6 78 - 7 - 310=1, 4.0/6170=1 H SER 75 - H GLY 60 lone 5 100 - 5 - 5939/4.6=1, 2.9/5929=1 H ASN 13 - H GLY 60 lone 0 60 - 1 - Peak 265 from nnoeabs.peaks (4.43, 8.43, 111.14 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + H GLY 60 OK 100 100 - 100 - 3.6=100 Peak 266 from nnoeabs.peaks (4.32, 8.43, 111.14 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.95: * HB THR 59 + H GLY 60 OK 93 100 - 93 - 4.4=78, 2741/3.6=33...(7) HA LYS 61 + H GLY 60 OK 24 60 - 40 - 2.9/1104=25, 3.0/5934=4...(9) HA ASP 81 - H GLY 60 lone 3 97 - 3 - HA ASP 32 - H GLY 60 lone 2 81 - 3 - HA PHE 34 - H GLY 60 lone 2 98 - 2 - Peak 267 from nnoeabs.peaks (1.22, 8.43, 111.14 ppm; 4.16 A): 1 out of 4 assignments used, quality = 0.99: * QG2 THR 59 + H GLY 60 OK 99 100 - 99 - 4.2=96, 2745/3.6=32...(10) HB3 LYS 41 - H GLY 60 OK 14 63 - 22 - 3.0/5929=8, 4.8/5931=3...(8) HG13 ILE 16 - H GLY 60 OK 11 100 - 11 - 859/4.6=4, 5899/5927=2 HG3 LYS 86 - H GLY 60 lone 7 68 - 10 - 3.9/5932=6, 3.0/5935=1 Peak 268 from nnoeabs.peaks (8.43, 7.76, 119.54 ppm; 3.53 A): 3 out of 12 assignments used, quality = 0.83: * H GLY 60 + H LYS 61 OK 69 100 - 69 - 4.6=45, 4.4/5924=10...(14) H GLY 90 + H ASN 91 OK 32 56 - 57 - 4.6=44, 4.6/6736=9...(7) H GLY 60 + H ASN 91 OK 20 56 - 35 - 1104=15, 4.4/5924=5...(8) H ILE 93 - H ASN 91 poor 8 36 - 21 - 4.0/6802=10, 6795/6698=3...(7) H GLY 90 - H LYS 61 lone 7 100 - 7 - 4.6/6736=2, 4.6/6731=2 H ASP 71 - H LYS 61 lone 4 89 - 4 - H THR 67 - H LYS 61 lone 4 99 - 3 - H ILE 93 - H LYS 61 lone 3 76 - 4 - 4.0/6802=2 H ASP 71 - H ASN 91 lone 2 44 - 5 - 6253/4.8=2 H THR 67 - H ASN 91 lone 2 55 - 3 - 6103/6802=1 H THR 15 - H LYS 61 lone 1 78 - 1 - H THR 15 - H ASN 91 lone 1 37 - 2 - Peak 269 from nnoeabs.peaks (3.77, 7.76, 119.54 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 60 + H LYS 61 OK 100 100 - 100 - 3.6=100 Peak 270 from nnoeabs.peaks (4.18, 7.76, 119.54 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 60 + H LYS 61 OK 100 100 - 100 - 3.6=100 HA3 GLY 90 - H ASN 91 OK 44 44 - 100 - 3.6=100 Peak 271 from nnoeabs.peaks (7.76, 8.77, 122.41 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + H LEU 62 OK 100 100 - 100 - 4.5=100 Peak 272 from nnoeabs.peaks (4.35, 8.77, 122.41 ppm; 2.74 A): 2 out of 8 assignments used, quality = 0.96: HA LEU 62 + H LEU 62 OK 88 97 - 91 - 3.0=80, 3.0/2851=16...(9) * HA LYS 61 + H LEU 62 OK 70 100 - 70 - 3.6=45, 3.0/4246=15...(12) HB THR 59 - H LEU 62 lone 4 60 - 7 - 5924/4.5=3, 5911/5.0=1 HA PHE 34 - H LEU 62 lone 2 83 - 3 - 3.0/1106=1 HA TRP 82 - H LEU 62 lone 1 97 - 1 - HA ALA 98 - H LEU 62 lone 1 85 - 1 - HA THR 42 - H LEU 62 lone 1 63 - 1 - HA SER 11 - H LEU 62 lone 0 99 - 0 - Peak 273 from nnoeabs.peaks (1.84, 8.77, 122.41 ppm; 2.83 A): 2 out of 13 assignments used, quality = 0.78: * HB2 LYS 61 + H LEU 62 OK 60 100 - 60 - 4.4=27, 1.8/4247=16...(8) HG LEU 62 + H LEU 62 OK 45 65 - 69 - 2.1/879=18, 5.0=18...(11) HB2 LYS 94 - H LEU 62 lone 7 90 - 7 - 1.8/876=2 HB ILE 37 - H LEU 62 lone 2 89 - 2 - 2.1/878=1 HB ILE 16 - H LEU 62 lone 2 83 - 2 - HB2 LYS 44 - H LEU 62 lone 2 78 - 2 - HB3 LYS 44 - H LEU 62 lone 1 71 - 2 - HB3 GLU 65 - H LEU 62 lone 1 93 - 1 - HB ILE 39 - H LEU 62 lone 0 90 - 1 - HB2 PRO 74 - H LEU 62 lone 0 100 - 0 - HD3 LYS 77 - H LEU 62 lone 0 60 - 1 - HB ILE 27 - H LEU 62 lone 0 63 - 0 - HB2 PRO 92 - H LEU 62 lone 0 60 - 0 - Peak 274 from nnoeabs.peaks (1.66, 8.77, 122.41 ppm; 3.60 A): 3 out of 18 assignments used, quality = 0.97: * HB3 LYS 61 + H LEU 62 OK 86 100 - 86 - 4.4=55, 1.8/4246=35...(12) HD3 LYS 61 + H LEU 62 OK 50 76 - 66 - 3.9/4246=21, 3.9/4247=19...(15) HD2 LYS 61 + H LEU 62 OK 50 76 - 66 - 3.9/4246=21, 3.9/4247=19...(15) HD3 LYS 63 - H LEU 62 OK 24 76 - 32 - 5.9/281=10, 3.9/875=5...(6) HD3 LYS 94 - H LEU 62 OK 13 85 - 15 - 1.8/4250=2, 3.4/877=2...(6) HD2 LYS 94 - H LEU 62 OK 13 85 - 15 - 1.8/4250=2, 3.4/877=2...(6) HB2 MET 50 - H LEU 62 lone 8 99 - 9 - 2.9/5701=4 QB ALA 79 - H LEU 62 lone 6 97 - 6 - 6475/4.5=2 HD2 LYS 44 - H LEU 62 lone 4 76 - 6 - HD3 LYS 44 - H LEU 62 lone 4 73 - 6 - HB ILE 40 - H LEU 62 lone 2 73 - 3 - HG3 ARG 57 - H LEU 62 lone 2 78 - 2 - HG2 ARG 57 - H LEU 62 lone 2 73 - 2 - HG12 ILE 40 - H LEU 62 lone 1 87 - 2 - HG12 ILE 27 - H LEU 62 lone 1 100 - 1 - HD3 LYS 35 - H LEU 62 lone 1 65 - 2 - HB VAL 18 - H LEU 62 lone 1 81 - 1 - HG3 GLN 19 - H LEU 62 lone 1 97 - 1 - Peak 275 from nnoeabs.peaks (1.42, 8.77, 122.41 ppm; 3.67 A): 2 out of 10 assignments used, quality = 0.98: * HG2 LYS 61 + H LEU 62 OK 85 100 - 85 - 5.0=40, 3.0/4246=28...(17) HG3 LYS 61 + H LEU 62 OK 85 100 - 85 - 5.0=40, 3.0/4246=28...(17) HG2 LYS 63 - H LEU 62 OK 40 95 - 42 - 4.9/281=14, 2.9/875=7...(10) HG3 LYS 63 - H LEU 62 OK 40 95 - 42 - 4.9/281=14, 2.9/875=7...(10) HG3 LYS 94 - H LEU 62 OK 12 81 - 15 - 2.9/877=2, 2.9/876=2...(6) HD3 LYS 86 - H LEU 62 OK 12 100 - 12 - 3.4/5701=4, 1.8/876=2...(4) HG13 ILE 51 - H LEU 62 OK 10 95 - 11 - 1.8/879=4, ~2850=2...(4) HG3 LYS 45 - H LEU 62 lone 5 87 - 5 - QB ALA 78 - H LEU 62 lone 4 78 - 5 - HG2 LYS 41 - H LEU 62 lone 3 76 - 4 - Peak 276 from nnoeabs.peaks (1.42, 8.77, 122.41 ppm; 3.67 A): 2 out of 10 assignments used, quality = 0.98: HG2 LYS 61 + H LEU 62 OK 85 100 - 85 - 5.0=40, 3.0/4246=28...(17) * HG3 LYS 61 + H LEU 62 OK 85 100 - 85 - 5.0=40, 3.0/4246=28...(17) HG2 LYS 63 - H LEU 62 OK 40 96 - 42 - 4.9/281=14, 2.9/875=7...(10) HG3 LYS 63 - H LEU 62 OK 40 96 - 42 - 4.9/281=14, 2.9/875=7...(10) HG3 LYS 94 - H LEU 62 OK 12 83 - 15 - 2.9/877=2, 2.9/876=2...(6) HD3 LYS 86 - H LEU 62 OK 12 100 - 12 - 3.4/5701=4, 1.8/876=2...(4) HG13 ILE 51 - H LEU 62 OK 10 96 - 11 - 1.8/879=4, ~2850=2...(4) HG3 LYS 45 - H LEU 62 lone 5 85 - 5 - QB ALA 78 - H LEU 62 lone 4 76 - 5 - HG2 LYS 41 - H LEU 62 lone 3 73 - 3 - Peak 277 from nnoeabs.peaks (1.68, 8.77, 122.41 ppm; 3.62 A): 3 out of 18 assignments used, quality = 0.97: * HD2 LYS 61 + H LEU 62 OK 69 100 - 69 - 3.9/4246=21, 3.9/4247=19...(19) HD3 LYS 61 + H LEU 62 OK 69 100 - 69 - 3.9/4246=21, 3.9/4247=19...(19) HB3 LYS 61 + H LEU 62 OK 66 76 - 87 - 4.4=56, 1.8/4246=36...(14) HD3 LYS 63 - H LEU 62 OK 35 100 - 35 - 5.9/281=10, 3.9/875=5...(9) HD3 LYS 94 - H LEU 62 OK 17 100 - 17 - 4251=2, 1.8/4250=2...(7) HD2 LYS 94 - H LEU 62 OK 17 100 - 17 - 4251=2, 1.8/4250=2...(7) HD3 LYS 44 - H LEU 62 lone 7 100 - 7 - HD2 LYS 44 - H LEU 62 lone 7 100 - 7 - QB ALA 79 - H LEU 62 lone 5 95 - 6 - 6475/4.5=1 HD3 LYS 45 - H LEU 62 lone 5 83 - 6 - HD2 LYS 45 - H LEU 62 lone 5 78 - 6 - HB ILE 40 - H LEU 62 lone 5 100 - 4 - HG2 ARG 57 - H LEU 62 lone 3 100 - 3 - HG3 ARG 57 - H LEU 62 lone 3 100 - 3 - HD3 LYS 35 - H LEU 62 lone 3 100 - 3 - HD2 LYS 77 - H LEU 62 lone 2 81 - 3 - HG12 ILE 39 - H LEU 62 lone 2 97 - 2 - HG12 ILE 27 - H LEU 62 lone 1 76 - 1 - Peak 278 from nnoeabs.peaks (1.68, 8.77, 122.41 ppm; 3.62 A): 3 out of 18 assignments used, quality = 0.97: HD2 LYS 61 + H LEU 62 OK 69 100 - 69 - 3.9/4246=21, 3.9/4247=19...(19) * HD3 LYS 61 + H LEU 62 OK 69 100 - 69 - 3.9/4246=21, 3.9/4247=19...(19) HB3 LYS 61 + H LEU 62 OK 66 76 - 87 - 4.4=56, 1.8/4246=36...(14) HD3 LYS 63 - H LEU 62 OK 35 100 - 35 - 5.9/281=10, 3.9/875=5...(9) HD3 LYS 94 - H LEU 62 OK 17 100 - 17 - 4251=2, 1.8/4250=2...(7) HD2 LYS 94 - H LEU 62 OK 17 100 - 17 - 4251=2, 1.8/4250=2...(7) HD3 LYS 44 - H LEU 62 lone 7 100 - 7 - HD2 LYS 44 - H LEU 62 lone 7 100 - 7 - QB ALA 79 - H LEU 62 lone 5 95 - 6 - 6475/4.5=1 HD3 LYS 45 - H LEU 62 lone 5 83 - 6 - HD2 LYS 45 - H LEU 62 lone 5 78 - 6 - HB ILE 40 - H LEU 62 lone 5 100 - 4 - HG2 ARG 57 - H LEU 62 lone 3 100 - 3 - HG3 ARG 57 - H LEU 62 lone 3 100 - 3 - HD3 LYS 35 - H LEU 62 lone 3 100 - 3 - HD2 LYS 77 - H LEU 62 lone 2 81 - 3 - HG12 ILE 39 - H LEU 62 lone 2 97 - 2 - HG12 ILE 27 - H LEU 62 lone 1 76 - 1 - Peak 281 from nnoeabs.peaks (8.77, 8.00, 118.02 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.97: * H LEU 62 + H LYS 63 OK 97 100 - 97 - 4.6=82, 3.0/282=29...(18) Peak 282 from nnoeabs.peaks (4.36, 8.00, 118.02 ppm; 2.83 A): 2 out of 8 assignments used, quality = 0.81: * HA LEU 62 + H LYS 63 OK 73 100 - 73 - 3.6=50, 3.0/281=12...(13) HA LYS 61 + H LYS 63 OK 29 97 - 30 - 3.6/281=11, 4254=6...(9) HA TRP 82 - H LYS 63 lone 2 100 - 2 - HA SER 29 - H LYS 63 lone 2 81 - 3 - HA THR 42 - H LYS 63 lone 1 89 - 1 - HA ALA 98 - H LYS 63 lone 1 99 - 1 - HA SER 11 - H LYS 63 lone 1 100 - 1 - HB THR 46 - H LYS 63 lone 0 60 - 0 - Peak 283 from nnoeabs.peaks (1.89, 8.00, 118.02 ppm; 3.42 A): 2 out of 9 assignments used, quality = 0.97: * HB2 LEU 62 + H LYS 63 OK 82 100 - 82 - 4.4=48, 3.0/282=21...(10) HB2 LYS 63 + H LYS 63 OK 81 97 - 84 - 3.9=65, 1.8/2906=19...(14) HD3 LYS 77 - H LYS 63 poor 8 71 - 12 - 3.0/886=3, 3.0/886=3...(4) HB3 ARG 57 - H LYS 63 lone 6 100 - 6 - HB2 ARG 57 - H LYS 63 lone 6 100 - 6 - HB2 GLU 87 - H LYS 63 lone 3 99 - 3 - 4.0/401=2 HB ILE 27 - H LYS 63 lone 3 68 - 4 - 2.1/4932=1 HB3 LYS 44 - H LYS 63 lone 2 60 - 3 - HB2 PRO 92 - H LYS 63 lone 1 71 - 2 - Peak 284 from nnoeabs.peaks (1.53, 8.00, 118.02 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.94: * HB3 LEU 62 + H LYS 63 OK 76 100 - 76 - 4.4=37, 3.0/282=18...(11) HB3 LYS 63 + H LYS 63 OK 74 100 - 75 - 3.9=50, 1.8/2896=15...(15) HB3 LYS 94 - H LYS 63 OK 19 97 - 20 - 1.8/285=3, 4.0/1107=2...(7) HG2 LYS 94 - H LYS 63 OK 14 83 - 18 - 2.9/285=2, 1.8/885=2...(8) HD2 LYS 86 - H LYS 63 OK 12 90 - 13 - 3.0/3582=2, 3.0/3592=2...(5) HG13 ILE 93 - H LYS 63 OK 11 100 - 11 - 1.8/6811=2, 3.0/285=2...(5) HG2 LYS 45 - H LYS 63 lone 5 97 - 5 - HG3 LYS 44 - H LYS 63 lone 2 63 - 3 - HG LEU 53 - H LYS 63 lone 2 65 - 3 - HG3 LYS 41 - H LYS 63 lone 1 87 - 1 - Peak 285 from nnoeabs.peaks (1.81, 8.00, 118.02 ppm; 4.46 A): 3 out of 9 assignments used, quality = 0.94: * HG LEU 62 + H LYS 63 OK 86 100 - 86 - 2.1/287=28, 2865/4.6=28...(10) HB2 LYS 61 + H LYS 63 OK 35 65 - 53 - 4.4/281=25, 3.0/282=12...(13) HB2 LYS 94 + H LYS 63 OK 34 97 - 35 - 1.8/883=5, 4.0/1107=4...(16) HB ILE 93 - H LYS 63 OK 24 100 - 24 - 2.1/6801=4, 4.4/1107=4...(7) HB3 GLU 65 - H LYS 63 OK 18 95 - 20 - 3.7/6013=11, ~6006=4...(4) HG2 GLU 87 - H LYS 63 lone 5 97 - 6 - 5.0/401=2 HB2 GLN 48 - H LYS 63 lone 5 100 - 5 - 5865/5977=1 HB2 PRO 74 - H LYS 63 lone 2 68 - 4 - HB ILE 39 - H LYS 63 lone 2 97 - 2 - Peak 286 from nnoeabs.peaks (0.84, 8.00, 118.02 ppm; 3.55 A): 5 out of 8 assignments used, quality = 0.86: * QD2 LEU 62 + H LYS 63 OK 73 100 - 74 - 2.1/287=19, 4258=17...(13) QG2 VAL 25 + H LYS 63 OK 18 83 - 22 - 2.1/4880=6, 5991/4.7=4...(7) QG2 VAL 30 + H LYS 63 OK 17 98 - 17 - 4258=2, 2849/3.6=2...(5) QG1 VAL 30 + H LYS 63 OK 14 100 - 14 - 2.1/4258=2, 2849/3.6=2...(6) QG2 ILE 37 + H LYS 63 OK 10 97 - 11 - 5290/3.0=1, ~7079=1 QG2 ILE 16 - H LYS 63 lone 8 99 - 8 - QG2 ILE 40 - H LYS 63 lone 6 78 - 8 - 3.3/5399=2 QG2 ILE 80 - H LYS 63 lone 5 99 - 5 - Peak 287 from nnoeabs.peaks (1.00, 8.00, 118.02 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.83: * QD1 LEU 62 + H LYS 63 OK 76 100 - 77 - 4.0/282=21, 2879/4.6=20...(11) HG12 ILE 51 + H LYS 63 OK 26 87 - 30 - 4.0/7053=7, 5990/4.7=4...(12) QG1 VAL 95 - H LYS 63 lone 8 85 - 9 - 2850/3.6=1, 4.2/5970=1 Peak 288 from nnoeabs.peaks (8.00, 8.33, 108.30 ppm; 3.62 A): 3 out of 5 assignments used, quality = 0.94: * H LYS 63 + H GLY 64 OK 81 100 - 81 - 4.7=47, 3.0/289=24...(14) H GLY 22 + H GLY 64 OK 47 100 - 48 - 4835/3.0=12, 5979/3.0=9...(11) H PHE 34 + H GLY 64 OK 37 97 - 38 - 1086=9, 5979/3.0=6...(10) H VAL 30 - H GLY 64 OK 13 71 - 18 - 1144=3, 3.0/4423=3...(6) H LYS 86 - H GLY 64 OK 12 93 - 13 - 2906/4.7=2, 5979/3.0=2...(4) Peak 289 from nnoeabs.peaks (4.27, 8.33, 108.30 ppm; 3.52 A): 1 out of 7 assignments used, quality = 0.98: * HA LYS 63 + H GLY 64 OK 98 100 - 98 - 3.6=96, 3.0/1107=16...(10) HA VAL 68 - H GLY 64 lone 6 71 - 9 - ~5996=2, ~5993=2, 6116/5990=1 HA3 GLY 85 - H GLY 64 lone 4 99 - 4 - 3.6/288=1 HA LYS 45 - H GLY 64 lone 3 65 - 5 - HA ALA 79 - H GLY 64 lone 3 100 - 3 - HA GLU 58 - H GLY 64 lone 1 99 - 1 - HD2 PRO 73 - H GLY 64 lone 1 100 - 1 - Peak 290 from nnoeabs.peaks (1.88, 8.33, 108.30 ppm; 3.95 A): 2 out of 12 assignments used, quality = 0.94: * HB2 LYS 63 + H GLY 64 OK 85 100 - 85 - 4.7=61, 3.0/289=28...(10) HB2 LEU 62 + H GLY 64 OK 59 97 - 62 - 5964=16, 4.4/1107=14...(12) HB ILE 37 - H GLY 64 poor 10 68 - 14 - 2.1/5991=2, 3.0/5989=2...(5) HB ILE 27 - H GLY 64 lone 5 92 - 6 - 2.8/5989=1 HD3 LYS 77 - H GLY 64 lone 4 93 - 4 - 882/4.7=1 HB ILE 16 - H GLY 64 lone 4 76 - 5 - 2.1/5991=2 HB3 ARG 57 - H GLY 64 lone 4 95 - 4 - 5890/3.6=1 HB2 ARG 57 - H GLY 64 lone 4 95 - 4 - 5890/3.6=1 HB3 LYS 44 - H GLY 64 lone 3 87 - 3 - HB2 LYS 44 - H GLY 64 lone 2 81 - 3 - HB2 PRO 92 - H GLY 64 lone 2 93 - 2 - HB2 GLU 87 - H GLY 64 lone 2 100 - 2 - Peak 291 from nnoeabs.peaks (1.53, 8.33, 108.30 ppm; 3.68 A): 4 out of 10 assignments used, quality = 0.94: * HB3 LYS 63 + H GLY 64 OK 79 100 - 79 - 4.7=50, 3.0/289=25...(10) HB3 LEU 62 + H GLY 64 OK 57 100 - 58 - 1.8/5964=12, 4.4/1107=12...(12) HB3 LYS 94 + H GLY 64 OK 19 99 - 19 - 3864=3, 1.8/3854=2...(6) HG13 ILE 93 + H GLY 64 OK 18 99 - 18 - ~5992=3, ~5995=2...(10) HG2 LYS 94 - H GLY 64 poor 10 76 - 13 - 2.9/3864=2, 1.8/3884=2...(5) HG2 LYS 45 - H GLY 64 lone 8 93 - 8 - 2277=1 HD2 LYS 86 - H GLY 64 lone 7 95 - 7 - 3602/4.7=2 HG3 LYS 41 - H GLY 64 lone 3 81 - 4 - HG LEU 53 - H GLY 64 lone 3 57 - 5 - 4900/4881=1, 2.1/5781=1 HG3 LYS 44 - H GLY 64 lone 2 71 - 3 - Peak 292 from nnoeabs.peaks (1.43, 8.33, 108.30 ppm; 4.61 A): 3 out of 10 assignments used, quality = 0.96: * HG2 LYS 63 + H GLY 64 OK 72 100 - 72 - 4.2/289=27, 2.9/4261=21...(13) HG3 LYS 63 + H GLY 64 OK 72 100 - 72 - 4.2/289=27, 2.9/4261=21...(13) HG13 ILE 51 + H GLY 64 OK 45 100 - 45 - 1.8/5990=14, 2.1/7035=7...(11) HB ILE 51 - H GLY 64 OK 31 73 - 43 - 3.0/5990=11, 3.2/7035=6...(13) HG3 LYS 94 - H GLY 64 OK 26 99 - 26 - 3884=4, 3887/4.7=4...(9) HG3 LYS 61 - H GLY 64 OK 21 96 - 22 - 3.9/5983=5, 884/4.7=4...(6) HG2 LYS 61 - H GLY 64 OK 21 95 - 22 - 3.9/5983=5, 885/4.7=4...(6) HD3 LYS 86 - H GLY 64 OK 11 96 - 11 - 3612/4.7=3, 1.8/291=2...(4) HG12 ILE 80 - H GLY 64 OK 10 85 - 12 - ~5997=3, ~5994=3...(4) QG2 THR 67 - H GLY 64 poor 9 85 - 11 - 6002/4.6=2, ~6074=2 Peak 293 from nnoeabs.peaks (1.43, 8.33, 108.30 ppm; 4.61 A): 3 out of 10 assignments used, quality = 0.96: HG2 LYS 63 + H GLY 64 OK 72 100 - 72 - 4.2/289=27, 2.9/4261=21...(13) * HG3 LYS 63 + H GLY 64 OK 72 100 - 72 - 4.2/289=27, 2.9/4261=21...(13) HG13 ILE 51 + H GLY 64 OK 45 100 - 45 - 1.8/5990=14, 2.1/7035=7...(11) HB ILE 51 - H GLY 64 OK 31 73 - 43 - 3.0/5990=11, 3.2/7035=6...(13) HG3 LYS 94 - H GLY 64 OK 26 99 - 26 - 3884=4, 3887/4.7=4...(9) HG3 LYS 61 - H GLY 64 OK 21 96 - 22 - 3.9/5983=5, 884/4.7=4...(6) HG2 LYS 61 - H GLY 64 OK 21 95 - 22 - 3.9/5983=5, 885/4.7=4...(6) HD3 LYS 86 - H GLY 64 OK 11 96 - 11 - 3612/4.7=3, 1.8/291=2...(4) HG12 ILE 80 - H GLY 64 OK 10 85 - 12 - ~5997=3, ~5994=3...(4) QG2 THR 67 - H GLY 64 poor 9 85 - 11 - 6002/4.6=2, ~6074=2 Peak 298 from nnoeabs.peaks (8.33, 7.15, 115.91 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.59: * H GLY 64 + H GLU 65 OK 59 100 - 59 - 4.6=48, 4.7/6013=6...(5) H LYS 94 - H GLU 65 poor 8 73 - 11 - 4.0/6004=3, 6859/3.6=2 H LYS 35 - H GLU 65 lone 5 92 - 6 - 4.6/6013=2 H ASP 32 - H GLU 65 lone 5 87 - 5 - 1150/3.6=1 H LYS 45 - H GLU 65 lone 2 87 - 2 - Peak 299 from nnoeabs.peaks (3.74, 7.15, 115.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 64 + H GLU 65 OK 100 100 - 100 - 3.6=100 Peak 300 from nnoeabs.peaks (4.24, 7.15, 115.91 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 64 + H GLU 65 OK 100 100 - 100 - 3.6=100 Peak 301 from nnoeabs.peaks (7.15, 8.92, 123.68 ppm; 4.54 A): 2 out of 10 assignments used, quality = 1.00: * H GLU 65 + H ALA 66 OK 99 100 - 99 - 4.6=95, 3.0/302=41...(12) QD TYR 54 + H ALA 66 OK 56 63 - 89 - 4698/3.0=25, ~5847=21...(20) HZ PHE 97 - H ALA 66 OK 18 99 - 17 - 3006/5.0=2, ~6047=2...(8) QE PHE 97 - H ALA 66 OK 15 81 - 18 - 5.6/7141=3, 6044/3.0=3...(8) H GLU 65 - H ASP 56 lone 5 62 - 8 - 3.0/4271=2, 6013/5970=1 HH2 TRP 82 - H ALA 66 lone 5 97 - 5 - 2.4/6050=2, 3006/5.0=1 QD TYR 54 - H ASP 56 lone 2 32 - 5 - HZ PHE 97 - H ASP 56 lone 1 60 - 2 - QE PHE 97 - H ASP 56 lone 1 43 - 2 - HH2 TRP 82 - H ASP 56 lone 1 57 - 2 - Peak 302 from nnoeabs.peaks (5.51, 8.92, 123.68 ppm; 3.01 A): 1 out of 4 assignments used, quality = 0.78: * HA GLU 65 + H ALA 66 OK 78 100 - 79 - 3.6=60, 5999/2.9=10...(14) HA GLU 65 - H ASP 56 lone 3 62 - 5 - 4271=2 HA THR 15 - H ALA 66 lone 3 73 - 4 - HA THR 15 - H ASP 56 lone 1 38 - 3 - Peak 303 from nnoeabs.peaks (1.98, 8.92, 123.68 ppm; 3.91 A): 2 out of 22 assignments used, quality = 0.95: * HB2 GLU 65 + H ALA 66 OK 91 100 - 91 - 4.4=71, 3.0/302=34...(9) HG2 GLN 19 + H ALA 66 OK 46 100 - 46 - 4738/3.6=16, 1.8/6035=9...(8) HB VAL 25 - H ALA 66 OK 11 90 - 12 - ~4904=3, 4908/6034=2...(4) HB3 GLU 28 - H ALA 66 lone 6 100 - 6 - ~4997=1, 4999/2.9=1 HB2 LYS 77 - H ALA 66 lone 5 100 - 5 - HG2 PRO 49 - H ALA 66 lone 5 68 - 7 - ~5638=2, 2.3/305=1, ~5621=1 HB2 GLU 65 - H ASP 56 lone 4 62 - 6 - 3.0/4271=2 HG3 PRO 74 - H ALA 66 lone 4 99 - 4 - HG2 GLN 19 - H ASP 56 lone 2 62 - 3 - HB VAL 25 - H ASP 56 lone 2 50 - 4 - 4898/4.1=2 HG3 PRO 73 - H ALA 66 lone 2 65 - 3 - 6330/6051=1 HB2 LYS 77 - H ASP 56 lone 1 62 - 2 - HG3 PRO 74 - H ASP 56 lone 1 59 - 1 - HB2 LYS 45 - H ALA 66 lone 1 65 - 1 - HB3 LYS 45 - H ALA 66 lone 1 65 - 1 - HB3 GLU 28 - H ASP 56 lone 1 62 - 1 - HB2 GLU 23 - H ALA 66 lone 1 63 - 1 - HG2 PRO 49 - H ASP 56 lone 0 35 - 1 - HG3 PRO 73 - H ASP 56 lone 0 33 - 1 - HB2 LYS 45 - H ASP 56 lone 0 33 - 1 - HB3 LYS 45 - H ASP 56 lone 0 33 - 1 - HB2 GLU 23 - H ASP 56 lone 0 32 - 1 - Peak 304 from nnoeabs.peaks (1.82, 8.92, 123.68 ppm; 4.28 A): 1 out of 18 assignments used, quality = 0.98: * HB3 GLU 65 + H ALA 66 OK 98 100 - 98 - 4.4=93, 3.0/302=38...(11) HB ILE 93 - H ALA 66 OK 17 90 - 19 - ~6027=5, ~6020=5...(5) HB2 LYS 61 - H ASP 56 OK 17 53 - 32 - 5865/4.1=7, 3.6/5873=7...(10) HB2 LYS 94 - H ALA 66 OK 12 100 - 12 - 6865/5.0=3, 6865/306=1...(4) HG LEU 62 - H ASP 56 OK 10 54 - 20 - 5865/4.1=10, 3.7/5940=6...(4) HB2 GLN 48 - H ALA 66 poor 10 87 - 11 - 5612/2.9=6, 1.8/305=3 HB2 LYS 61 - H ALA 66 lone 6 93 - 7 - 1.8/6035=1 HG LEU 62 - H ALA 66 lone 5 95 - 6 - 2.1/6032=1, ~6026=1 HB3 GLU 65 - H ASP 56 lone 5 62 - 8 - 3.0/4271=2 HB2 PRO 74 - H ALA 66 lone 5 95 - 5 - 4663/6051=1 HB2 GLN 48 - H ASP 56 lone 4 47 - 8 - 5597/4.6=3, 5865/4.1=3 HB2 LYS 94 - H ASP 56 lone 3 62 - 4 - 5865/4.1=1 HB ILE 39 - H ALA 66 lone 2 100 - 2 - HG2 GLU 87 - H ALA 66 lone 2 73 - 3 - 1.8/305=2 HB ILE 93 - H ASP 56 lone 2 50 - 3 - HB2 PRO 74 - H ASP 56 lone 1 54 - 2 - HB ILE 39 - H ASP 56 lone 1 62 - 1 - HG2 GLU 87 - H ASP 56 lone 1 38 - 2 - Peak 305 from nnoeabs.peaks (2.19, 8.92, 123.68 ppm; 4.58 A): 1 out of 18 assignments used, quality = 0.94: * HG2 GLU 65 + H ALA 66 OK 94 100 - 94 - 5.0=77, 3.9/302=35...(11) HB VAL 30 - H ALA 66 OK 28 100 - 28 - 2986/3.6=5, 2.1/6032=4...(10) HB3 GLN 48 - H ALA 66 OK 13 100 - 13 - ~5612=6, 1.8/304=2, 5613/2.9=2 HG3 GLU 87 - H ALA 66 lone 8 100 - 8 - 2986/3.6=2, 897/4.6=1 HB2 PRO 49 - H ALA 66 poor 7 63 - 12 - ~5638=3, 5621/2.9=1...(4) HB2 PHE 88 - H ALA 66 lone 6 92 - 6 - 4809/6034=1 HG2 GLU 65 - H ASP 56 lone 5 62 - 7 - 3.9/4271=2, 1.8/306=1 HB3 GLN 48 - H ASP 56 lone 4 61 - 7 - 5599/4.6=4 HB3 PRO 92 - H ALA 66 lone 3 76 - 4 - HG3 PRO 92 - H ALA 66 lone 3 85 - 3 - HB VAL 30 - H ASP 56 lone 2 62 - 4 - HG3 GLU 87 - H ASP 56 lone 1 61 - 2 - HB2 PRO 73 - H ALA 66 lone 1 60 - 2 - HB2 PHE 88 - H ASP 56 lone 1 51 - 2 - HG3 PRO 92 - H ASP 56 lone 1 46 - 2 - HB2 PRO 49 - H ASP 56 lone 1 32 - 2 - HB3 PRO 92 - H ASP 56 lone 1 40 - 2 - HB2 PRO 73 - H ASP 56 lone 0 30 - 1 - Peak 306 from nnoeabs.peaks (2.14, 8.92, 123.68 ppm; 4.48 A): 2 out of 14 assignments used, quality = 0.95: * HG3 GLU 65 + H ALA 66 OK 92 100 - 92 - 5.0=72, 3.9/302=34...(11) HB2 GLN 19 + H ALA 66 OK 39 73 - 54 - 2.9/7141=14, 4739/3.6=14...(9) HG3 GLU 65 - H ASP 56 lone 5 62 - 7 - 3.9/4271=2, 1.8/305=1 HB2 GLU 58 - H ALA 66 lone 2 100 - 2 - HB2 GLN 19 - H ASP 56 lone 2 38 - 5 - HB3 LYS 35 - H ALA 66 lone 2 73 - 2 - HB3 GLU 58 - H ALA 66 lone 1 83 - 2 - HB2 PRO 73 - H ALA 66 lone 1 65 - 2 - HB2 GLU 58 - H ASP 56 lone 1 61 - 2 - 5933/5928=1 HB2 GLN 36 - H ALA 66 lone 1 68 - 2 - HB3 GLU 58 - H ASP 56 lone 1 44 - 2 - 5933/5928=1 HB3 LYS 35 - H ASP 56 lone 1 38 - 1 - HB2 GLN 36 - H ASP 56 lone 0 35 - 1 - HB2 PRO 73 - H ASP 56 lone 0 33 - 1 - Peak 307 from nnoeabs.peaks (8.92, 8.43, 108.09 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.99: * H ALA 66 + H THR 67 OK 98 100 - 98 - 4.6=90, 3.0/308=45...(14) H VAL 18 + H THR 67 OK 60 90 - 67 - 4698/3.0=33, 4708/3.5=12...(10) H SER 96 - H THR 67 OK 34 99 - 34 - 451/3.5=7, 3.0/6072=5...(9) H ASP 56 - H THR 67 OK 12 78 - 14 - 4.0/5874=2, 4.1/5854=2...(6) Peak 308 from nnoeabs.peaks (5.59, 8.43, 108.09 ppm; 2.82 A): 1 out of 1 assignment used, quality = 0.75: * HA ALA 66 + H THR 67 OK 75 100 - 75 - 3.6=49, 2.1/309=19...(16) Peak 309 from nnoeabs.peaks (0.96, 8.43, 108.09 ppm; 3.05 A): 3 out of 3 assignments used, quality = 0.91: * QB ALA 66 + H THR 67 OK 86 100 - 86 - 3.5=64, 2.1/308=34...(14) QD1 ILE 27 + H THR 67 OK 18 96 - 19 - 4980/6104=5, 6097/3.0=3...(6) QG1 VAL 95 + H THR 67 OK 18 83 - 21 - 4277=5, 6097/3.0=3...(7) Peak 310 from nnoeabs.peaks (8.43, 8.09, 119.93 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.99: * H THR 67 + H VAL 68 OK 99 100 - 99 - 4.6=95, 3.0/311=46...(12) H THR 15 - H VAL 68 OK 43 63 - 69 - 3.0/6164=33, 4.0/4547=25...(9) H ASP 71 - H VAL 68 OK 16 76 - 21 - 4.6/6167=8, 4.6/6301=5...(4) H GLY 60 - H VAL 68 OK 15 99 - 15 - 264=3, 6170/4.0=2...(4) H ILE 93 - H VAL 68 lone 4 60 - 6 - 6170/4.0=2 H GLY 90 - H VAL 68 lone 3 99 - 3 - Peak 311 from nnoeabs.peaks (5.75, 8.09, 119.93 ppm; 2.79 A): 1 out of 1 assignment used, quality = 0.77: * HA THR 67 + H VAL 68 OK 77 100 - 77 - 3.6=48, 3027/4.1=13...(15) Peak 312 from nnoeabs.peaks (4.10, 8.09, 119.93 ppm; 3.38 A): 2 out of 9 assignments used, quality = 0.85: * HB THR 67 + H VAL 68 OK 79 100 - 79 - 4.4=45, 3.0/311=31...(11) HB THR 15 + H VAL 68 OK 29 60 - 49 - 2.1/4547=23, 3.0/6164=18...(6) HA3 GLY 22 - H VAL 68 lone 9 99 - 9 - ~4836=3, ~4835=2, 4077=1...(5) HB2 SER 96 - H VAL 68 lone 5 99 - 5 - 4.1/6167=2, 4660/6144=1 HA ILE 39 - H VAL 68 lone 4 95 - 4 - 3.8/6115=1 HA GLU 23 - H VAL 68 lone 3 95 - 4 - HA3 GLY 38 - H VAL 68 lone 3 83 - 3 - HA GLN 36 - H VAL 68 lone 1 65 - 2 - HB3 SER 29 - H VAL 68 lone 1 76 - 1 - Peak 313 from nnoeabs.peaks (1.45, 8.09, 119.93 ppm; 3.51 A): 3 out of 10 assignments used, quality = 0.99: * QG2 THR 67 + H VAL 68 OK 91 100 - 91 - 4.1=64, 3.2/311=31...(16) HB ILE 51 + H VAL 68 OK 69 100 - 70 - 5750/4.0=12, ~6118=10...(20) HG13 ILE 51 + H VAL 68 OK 55 85 - 65 - 5758/4.0=12, 1.8/6114=10...(16) QB ALA 31 - H VAL 68 OK 25 97 - 26 - 5102/4.0=12, 6119/3.0=3...(5) HG12 ILE 80 - H VAL 68 OK 14 100 - 14 - 3021/3.6=2, 905/4.6=2 HB2 LYS 41 - H VAL 68 poor 9 89 - 10 - 6178/4.6=2, 6137/4.0=1...(4) HG3 LYS 63 - H VAL 68 lone 5 85 - 6 - HG2 LYS 63 - H VAL 68 lone 5 85 - 6 - HG3 LYS 94 - H VAL 68 lone 5 97 - 5 - HG2 LYS 44 - H VAL 68 lone 3 83 - 3 - Peak 314 from nnoeabs.peaks (8.09, 7.68, 121.55 ppm; 4.58 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 68 + H SER 69 OK 100 100 - 100 - 4.6=98, 3.0/4281=43...(12) H ASN 13 - H SER 69 lone 5 99 - 6 - 4542/6207=1, 3040/4.3=1 H SER 75 - H SER 69 lone 3 68 - 5 - 3040/4.3=1 H THR 59 - H SER 69 lone 3 78 - 4 - 3040/4.3=2 H GLU 23 - H SER 69 lone 3 60 - 5 - 3040/4.3=1, 4859/5387=1 H ILE 39 - H SER 69 lone 2 57 - 4 - 3040/4.3=1 Peak 315 from nnoeabs.peaks (4.25, 7.68, 121.55 ppm; 2.82 A): 1 out of 9 assignments used, quality = 0.74: * HA VAL 68 + H SER 69 OK 74 100 - 74 - 3.6=49, 3.2/318=17...(11) HA3 GLY 64 - H SER 69 lone 5 99 - 5 - 5996/4.3=2 HA ILE 37 - H SER 69 lone 4 83 - 5 - 3.2/6199=2, 4.0/6181=2 HA ALA 79 - H SER 69 lone 3 78 - 4 - 2.1/6179=2 HA LYS 45 - H SER 69 lone 2 100 - 2 - HA3 GLY 85 - H SER 69 lone 1 89 - 1 - HA LYS 63 - H SER 69 lone 1 71 - 1 - HA GLU 58 - H SER 69 lone 1 85 - 1 - HD2 PRO 73 - H SER 69 lone 0 60 - 1 - Peak 316 from nnoeabs.peaks (1.35, 7.68, 121.55 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 68 + H SER 69 OK 100 100 - 100 - 4.5=100 Peak 317 from nnoeabs.peaks (0.29, 7.68, 121.55 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.96: * QG2 VAL 68 + H SER 69 OK 96 100 - 96 - 4.3=75, 2.1/318=40...(16) QD1 LEU 21 - H SER 69 OK 35 93 - 38 - 909/4.6=6, 4.0/913=4...(13) Peak 318 from nnoeabs.peaks (0.01, 7.68, 121.55 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.88: * QG1 VAL 68 + H SER 69 OK 88 100 - 88 - 4.3=51, 3.2/4281=26...(18) Peak 319 from nnoeabs.peaks (7.68, 8.96, 122.57 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H SER 69 + H PHE 70 OK 100 100 - 100 - 4.6=100 Peak 320 from nnoeabs.peaks (5.24, 8.96, 122.57 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.72: * HA SER 69 + H PHE 70 OK 72 100 - 72 - 3.6=54, 3.0/322=14...(8) HD1 TRP 82 - H PHE 70 lone 3 81 - 3 - Peak 321 from nnoeabs.peaks (3.70, 8.96, 122.57 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.92: * HB2 SER 69 + H PHE 70 OK 91 100 - 91 - 4.5=67, 3.0/320=37...(7) HA LEU 21 + H PHE 70 OK 13 97 - 13 - 913/4.6=3, 2.9/6222=3...(5) HB THR 42 - H PHE 70 lone 5 57 - 9 - 4.7/6216=3, 4.0/1114=2 HD2 PRO 74 - H PHE 70 lone 2 97 - 2 - HA2 GLY 47 - H PHE 70 lone 1 68 - 1 - Peak 322 from nnoeabs.peaks (3.63, 8.96, 122.57 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.95: * HB3 SER 69 + H PHE 70 OK 95 100 - 95 - 4.5=80, 3.0/320=40...(8) HA2 GLY 90 - H PHE 70 lone 2 65 - 3 - Peak 323 from nnoeabs.peaks (8.96, 8.45, 119.98 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + H ASP 71 OK 100 100 - 100 - 4.6=100 Peak 324 from nnoeabs.peaks (4.82, 8.45, 119.98 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.83: * HA PHE 70 + H ASP 71 OK 80 100 - 81 - 3.6=56, 3.0/325=14...(11) HA ILE 51 + H ASP 71 OK 15 92 - 16 - 6248/3.9=4, 6247/3.9=2...(7) HA THR 55 - H ASP 71 lone 2 83 - 2 - Peak 325 from nnoeabs.peaks (3.44, 8.45, 119.98 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.89: * HB2 PHE 70 + H ASP 71 OK 89 100 - 89 - 4.3=58, 1.8/326=27...(9) HB2 SER 89 - H ASP 71 lone 7 95 - 7 - 6276/3.9=1, 6274/3.9=1...(4) HB2 PHE 83 - H ASP 71 lone 7 99 - 7 - 6276/3.9=1, 6274/3.9=1 HB2 PHE 34 - H ASP 71 lone 6 81 - 8 - 1.8/326=3, 917/4.6=2 HA ILE 80 - H ASP 71 lone 5 83 - 6 - 6514/4.3=2, 917/4.6=1 Peak 326 from nnoeabs.peaks (2.78, 8.45, 119.98 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.94: * HB3 PHE 70 + H ASP 71 OK 94 100 - 94 - 4.3=76, 1.8/325=32...(6) HB3 PHE 34 + H ASP 71 OK 10 99 - 11 - 918/4.6=4, 1.8/325=2 HB3 ASP 84 - H ASP 71 lone 2 100 - 2 - HB2 ASP 32 - H ASP 71 lone 2 73 - 3 - Peak 330 from nnoeabs.peaks (7.05, 8.45, 119.98 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.96: * QD PHE 70 + H ASP 71 OK 96 100 - 96 - 4.4=81, 2.5/326=30...(13) HD22 ASN 91 - H ASP 71 lone 5 81 - 6 - HZ3 TRP 82 - H ASP 71 lone 4 90 - 5 - HZ PHE 17 - H ASP 71 lone 4 85 - 5 - 6300/4.6=1 Peak 332 from nnoeabs.peaks (4.41, 8.48, 116.74 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + H ASP 72 OK 100 100 - 100 - 3.6=100 Peak 333 from nnoeabs.peaks (2.59, 8.48, 116.74 ppm; 3.55 A): 1 out of 9 assignments used, quality = 0.74: * HB2 ASP 71 + H ASP 72 OK 74 100 - 74 - 4.5=50, 1.8/4296=17...(11) HB2 ASN 52 - H ASP 72 lone 3 100 - 3 - HB3 ASN 52 - H ASP 72 lone 3 99 - 3 - HB2 ASP 71 - H ILE 93 lone 2 44 - 4 - HB2 ASP 71 - H TRP 82 lone 2 45 - 3 - HB2 ASN 52 - H ILE 93 lone 1 43 - 3 - 5773/4.0=2 HB3 ASN 52 - H ILE 93 lone 1 41 - 3 - 5773/4.0=2 HB2 ASN 52 - H TRP 82 lone 0 44 - 1 - HB3 ASN 52 - H TRP 82 lone 0 43 - 1 - Peak 334 from nnoeabs.peaks (2.38, 8.48, 116.74 ppm; 3.73 A): 3 out of 12 assignments used, quality = 0.95: * HB3 ASP 71 + H ASP 72 OK 83 100 - 83 - 4.5=58, 1.8/333=33...(10) HG2 PRO 73 + H ASP 72 OK 52 83 - 62 - 2.3/6279=12, ~6328=12...(9) HB3 PRO 74 + H ASP 72 OK 40 100 - 40 - 3.0/6278=10, ~6343=9...(7) HG3 MET 50 - H ASP 72 OK 13 100 - 14 - 2473/3.6=5, 926/4.6=3 HB3 ASP 71 - H ILE 93 lone 2 44 - 5 - HB3 ASP 71 - H TRP 82 lone 2 45 - 4 - HG3 MET 50 - H TRP 82 lone 1 45 - 3 - HB3 PRO 74 - H TRP 82 lone 1 45 - 3 - 3.9/6346=2 HG3 MET 50 - H ILE 93 lone 1 44 - 2 - HB3 PRO 74 - H ILE 93 lone 1 44 - 2 - HG2 PRO 73 - H TRP 82 lone 0 32 - 1 - HG2 PRO 73 - H ILE 93 lone 0 31 - 1 - Peak 335 from nnoeabs.peaks (4.40, 8.06, 114.38 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + H SER 75 OK 100 100 - 100 - 3.5=100 Peak 336 from nnoeabs.peaks (1.84, 8.06, 114.38 ppm; 3.71 A): 1 out of 12 assignments used, quality = 0.93: * HB2 PRO 74 + H SER 75 OK 93 100 - 93 - 3.9=85, 3.0/341=22...(5) HB ILE 37 - H SER 75 OK 20 87 - 24 - ~5288=8, 2.1/6363=6...(4) HB2 LYS 61 - H SER 75 OK 11 100 - 11 - 3.0/6354=2, 3.0/6354=2...(4) HB ILE 39 - H SER 75 lone 5 92 - 6 - 5355/3.9=3, 2.1/6363=1 HB ILE 16 - H SER 75 lone 5 81 - 7 - ~5288=2, ~6364=2 HB3 GLU 65 - H SER 75 lone 3 95 - 3 - 1.8/339=1 HB2 LYS 94 - H SER 75 lone 2 92 - 2 - HG LEU 62 - H SER 75 lone 1 68 - 2 - HB2 LYS 44 - H SER 75 lone 1 76 - 2 - HB3 LYS 44 - H SER 75 lone 1 68 - 2 - HB ILE 93 - H SER 75 lone 1 60 - 1 - HB ILE 27 - H SER 75 lone 1 60 - 1 - Peak 337 from nnoeabs.peaks (2.38, 8.06, 114.38 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + H SER 75 OK 100 100 - 100 - 3.9=100 Peak 338 from nnoeabs.peaks (2.10, 8.06, 114.38 ppm; 4.16 A): 3 out of 6 assignments used, quality = 0.94: * HG2 PRO 74 + H SER 75 OK 84 100 - 85 - 2.3/341=31, 2.3/340=27...(11) HB3 LYS 77 + H SER 75 OK 54 100 - 54 - 3.7/1177=19, 4.7/6347=18...(6) HB2 GLU 58 + H SER 75 OK 13 68 - 19 - 1.8/4237=4, 4236=4...(5) HB2 GLN 19 - H SER 75 lone 5 99 - 4 - HB2 GLN 36 - H SER 75 lone 3 100 - 2 - HB2 GLU 28 - H SER 75 lone 1 60 - 2 - Peak 339 from nnoeabs.peaks (1.98, 8.06, 114.38 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.93: * HG3 PRO 74 + H SER 75 OK 83 100 - 84 - 2.3/341=31, 2.3/340=28...(9) HB2 LYS 77 + H SER 75 OK 55 99 - 56 - 3.7/1177=19, 4.7/6347=19...(6) HB2 GLU 65 - H SER 75 lone 7 99 - 7 - 7062/6348=1 HB VAL 25 - H SER 75 lone 6 98 - 6 - 6369/4.6=1, ~7067=1 HG2 PRO 49 - H SER 75 lone 5 85 - 6 - 2.3/340=1 HG2 GLN 19 - H SER 75 lone 5 98 - 5 - HB3 GLU 28 - H SER 75 lone 4 99 - 4 - HB2 GLU 23 - H SER 75 lone 2 81 - 2 - Peak 340 from nnoeabs.peaks (3.69, 8.06, 114.38 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.76: * HD2 PRO 74 + H SER 75 OK 76 100 - 77 - 1.8/341=34, 3.0/336=22...(7) HA2 GLY 47 - H SER 75 lone 7 92 - 8 - 7145/2.9=2, ~5574=2, 5572/4.6=1 HB2 SER 69 - H SER 75 lone 4 97 - 4 - HD3 PRO 49 - H SER 75 lone 4 81 - 5 - 4297=1, 2.3/339=1 HA LEU 21 - H SER 75 lone 4 100 - 4 - 2.9/6346=2 Peak 341 from nnoeabs.peaks (3.47, 8.06, 114.38 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.73: * HD3 PRO 74 + H SER 75 OK 69 100 - 69 - 1.8/340=22, 4298=20...(11) HB2 ASN 14 + H SER 75 OK 14 83 - 17 - 6372/4.6=5, 3.5/1173=4...(5) HB3 PHE 83 - H SER 75 lone 6 96 - 6 - 6372/4.6=2, 4.0/6346=2 HB2 SER 89 - H SER 75 lone 3 76 - 3 - Peak 342 from nnoeabs.peaks (8.06, 7.44, 122.42 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.72: * H SER 75 + H ALA 76 OK 72 100 - 72 - 1116=44, 3240/4.6=11...(11) H VAL 68 - H ALA 76 lone 7 68 - 10 - 4.0/6162=3, 4.0/6152=2, ~6142=1 H THR 59 - H ALA 76 lone 5 100 - 5 - 1177/4.6=1 Peak 343 from nnoeabs.peaks (4.02, 7.44, 122.42 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 75 + H ALA 76 OK 100 100 - 100 - 3.6=100 Peak 344 from nnoeabs.peaks (3.04, 7.44, 122.42 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.95: * HB2 SER 75 + H ALA 76 OK 95 100 - 95 - 4.6=86, 1.8/345=30...(7) HE2 LYS 41 - H ALA 76 OK 16 95 - 17 - 3.8/6368=4, 933/4.6=4...(5) HE2 LYS 61 - H ALA 76 lone 8 100 - 8 - 933/4.6=2, 3.9/6368=2 HE2 LYS 35 - H ALA 76 lone 3 89 - 3 - 5.9/6373=2 HE3 LYS 35 - H ALA 76 lone 3 89 - 3 - 5.9/6373=2 HE3 LYS 44 - H ALA 76 lone 2 85 - 2 - HE2 LYS 44 - H ALA 76 lone 2 83 - 2 - Peak 345 from nnoeabs.peaks (3.88, 7.44, 122.42 ppm; 3.90 A): 3 out of 4 assignments used, quality = 0.87: * HB3 SER 75 + H ALA 76 OK 81 100 - 81 - 4.6=61, 4.0/1116=24...(5) HD3 PRO 73 + H ALA 76 OK 20 100 - 20 - 3.6/1174=9, 934/4.6=5...(4) HA ALA 31 + H ALA 76 OK 15 99 - 15 - 5076=3, ~5093=3...(5) HA2 GLY 85 - H ALA 76 lone 3 100 - 3 - Peak 346 from nnoeabs.peaks (7.44, 7.20, 116.16 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.67: * H ALA 76 + H LYS 77 OK 67 100 - 67 - 4.6=32, 2.9/348=22...(10) H THR 46 - H LYS 77 lone 8 81 - 9 - 5545=2, 4.0/5570=2, 1181/4.6=1 QD PHE 34 - H LYS 77 lone 4 92 - 4 - 1181/4.6=1 Peak 347 from nnoeabs.peaks (3.60, 7.20, 116.16 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 76 + H LYS 77 OK 100 100 - 100 - 3.6=100 Peak 348 from nnoeabs.peaks (1.60, 7.20, 116.16 ppm; 2.97 A): 1 out of 4 assignments used, quality = 0.72: * QB ALA 76 + H LYS 77 OK 72 100 - 72 - 3.6=58, 2.9/346=19...(8) HD2 LYS 63 - H LYS 77 lone 10 99 - 10 - 3.0/6413=2, 3.0/6413=2...(4) HD2 LYS 41 - H LYS 77 lone 3 68 - 4 - HD3 LYS 41 - H LYS 77 lone 3 68 - 4 - Peak 349 from nnoeabs.peaks (7.20, 7.87, 119.69 ppm; 3.09 A): 2 out of 4 assignments used, quality = 0.87: * H LYS 77 + H ALA 78 OK 85 100 - 85 - 1118=50, 3.7/4310=15...(18) HD22 ASN 14 + H ALA 78 OK 15 98 - 15 - 1117/1175=2, 6431/2.9=2...(9) QD TYR 54 - H ALA 78 poor 8 71 - 11 - 3260/4.7=2, 3270/4.7=2...(4) HD22 ASN 43 - H ALA 78 lone 7 100 - 7 - 6431/2.9=1 Peak 350 from nnoeabs.peaks (3.79, 7.87, 119.69 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + H ALA 78 OK 100 100 - 100 - 3.6=100 Peak 351 from nnoeabs.peaks (1.98, 7.87, 119.69 ppm; 3.15 A): 2 out of 11 assignments used, quality = 0.85: * HB2 LYS 77 + H ALA 78 OK 78 100 - 78 - 4.7=31, 1.8/4311=23...(17) HG3 PRO 74 + H ALA 78 OK 35 99 - 35 - 3.8/4457=13, 1.8/352=9...(10) HB2 LYS 45 - H ALA 78 lone 6 63 - 9 - 3.0/950=2, 4.0/1181=2 HB3 LYS 45 - H ALA 78 lone 6 63 - 9 - 3.0/950=2, 4.0/1181=2 HG2 GLN 19 - H ALA 78 lone 5 100 - 5 - HB VAL 25 - H ALA 78 lone 5 92 - 5 - 4310=2 HG3 PRO 73 - H ALA 78 lone 3 63 - 6 - 3.8/1183=4 HG2 PRO 49 - H ALA 78 lone 3 71 - 5 - HB3 GLU 28 - H ALA 78 lone 3 100 - 2 - HB2 GLU 23 - H ALA 78 lone 2 65 - 3 - 4.0/1119=1 HB2 GLU 65 - H ALA 78 lone 2 100 - 2 - Peak 352 from nnoeabs.peaks (2.11, 7.87, 119.69 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.93: * HB3 LYS 77 + H ALA 78 OK 88 100 - 88 - 4.7=46, 1.8/4310=33...(17) HG2 PRO 74 + H ALA 78 OK 43 100 - 44 - 3.8/4457=18, 1.8/351=10...(10) HB2 GLN 19 - H ALA 78 lone 6 99 - 5 - 3.0/351=1, 6445/2.9=1 HB2 GLN 36 - H ALA 78 lone 2 100 - 2 - HB2 GLU 28 - H ALA 78 lone 2 57 - 3 - HB2 GLU 58 - H ALA 78 lone 1 71 - 2 - Peak 353 from nnoeabs.peaks (1.57, 7.87, 119.69 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.97: * HG2 LYS 77 + H ALA 78 OK 84 100 - 84 - 2.9/4310=26, 2.9/4311=25...(18) HG3 LYS 77 + H ALA 78 OK 84 100 - 84 - 2.9/4310=26, 2.9/4311=25...(18) HG3 LYS 44 - H ALA 78 OK 22 93 - 23 - 4312=4, 6439/3.0=2...(12) HB3 PRO 49 - H ALA 78 lone 8 100 - 8 - 5630/4.6=1 HD2 LYS 63 - H ALA 78 lone 5 68 - 7 - 3255/3.6=1, 3.9/356=1 HB3 GLU 87 - H ALA 78 lone 4 98 - 4 - HD2 LYS 86 - H ALA 78 lone 3 68 - 4 - 6676/1191=1 Peak 354 from nnoeabs.peaks (1.57, 7.87, 119.69 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.97: HG2 LYS 77 + H ALA 78 OK 84 100 - 84 - 2.9/4310=26, 2.9/4311=25...(18) * HG3 LYS 77 + H ALA 78 OK 84 100 - 84 - 2.9/4310=26, 2.9/4311=25...(18) HG3 LYS 44 - H ALA 78 OK 21 92 - 23 - 4312=4, 6439/3.0=2...(12) HB3 PRO 49 - H ALA 78 lone 8 99 - 8 - 5630/4.6=1 HD2 LYS 63 - H ALA 78 lone 5 71 - 7 - 3255/3.6=1, 3.9/356=1 HB3 GLU 87 - H ALA 78 lone 4 97 - 3 - HD2 LYS 86 - H ALA 78 lone 3 65 - 4 - 6676/1191=1 Peak 355 from nnoeabs.peaks (1.70, 7.87, 119.69 ppm; 3.87 A): 8 out of 17 assignments used, quality = 0.95: * HD2 LYS 77 + H ALA 78 OK 77 100 - 77 - 3.7/4310=24, 3.7/4311=24...(14) HB ILE 80 + H ALA 78 OK 42 87 - 48 - 4.0/1191=20, 4471/3.6=13...(8) HD3 LYS 44 + H ALA 78 OK 21 83 - 26 - 3.0/4312=3, 6438/3.0=2...(14) HD2 LYS 44 + H ALA 78 OK 21 81 - 26 - 3.0/4312=3, 6438/3.0=2...(14) HD2 LYS 45 + H ALA 78 OK 14 100 - 14 - 2.9/950=2, 4314=2...(6) HD3 LYS 45 + H ALA 78 OK 13 100 - 13 - 2.9/950=2, 1.8/4314=2...(6) HD3 LYS 61 + H ALA 78 OK 10 81 - 13 - 3.0/950=1, 3.0/950=1 HD2 LYS 61 + H ALA 78 OK 10 81 - 13 - 3.0/950=1, 3.0/950=1 HG12 ILE 39 - H ALA 78 lone 9 97 - 9 - 1983/4.6=3, 4.6/1119=2 HD3 LYS 63 - H ALA 78 lone 7 81 - 8 - 3256/3.6=2, 3.9/356=1, 944/4.6=1 HG2 ARG 57 - H ALA 78 lone 6 83 - 7 - 3.9/1182=2 HG3 ARG 57 - H ALA 78 lone 6 78 - 7 - 3.9/1182=2 HB ILE 40 - H ALA 78 lone 4 83 - 5 - HB2 LEU 53 - H ALA 78 lone 4 87 - 4 - 4470/3.6=1 HD2 LYS 94 - H ALA 78 lone 3 71 - 5 - HD3 LYS 94 - H ALA 78 lone 3 71 - 5 - HD3 LYS 35 - H ALA 78 lone 2 89 - 2 - Peak 356 from nnoeabs.peaks (1.87, 7.87, 119.69 ppm; 4.41 A): 2 out of 13 assignments used, quality = 0.95: * HD3 LYS 77 + H ALA 78 OK 87 100 - 87 - 3.7/4310=30, 3.7/4311=30...(14) HB ILE 37 + H ALA 78 OK 65 96 - 68 - ~6456=12, ~7159=12...(15) HB3 LYS 44 - H ALA 78 OK 26 100 - 26 - 2.9/4312=4, 3.0/1182=3...(12) HB2 LYS 44 - H ALA 78 OK 26 99 - 26 - 2.9/4312=4, 3.0/1182=3...(11) HB ILE 16 - H ALA 78 OK 24 98 - 25 - 4642/4.6=4, 6472/6462=4...(9) HB2 LYS 63 - H ALA 78 OK 18 93 - 19 - 7101/4.7=7, 3257/3.6=4 HB3 ARG 57 - H ALA 78 poor 7 65 - 10 - 3.0/1182=3, ~4461=2 HB2 ARG 57 - H ALA 78 poor 7 65 - 10 - 3.0/1182=3, ~4461=2 HB ILE 27 - H ALA 78 lone 7 100 - 6 - HB2 LYS 61 - H ALA 78 poor 6 60 - 10 - 3.0/950=2, 3.0/950=1...(4) HB2 LEU 62 - H ALA 78 lone 6 71 - 8 - 3.1/6448=2, ~5956=1, ~6455=1 HB2 GLU 87 - H ALA 78 lone 5 89 - 5 - HB2 PRO 92 - H ALA 78 lone 3 100 - 3 - Peak 359 from nnoeabs.peaks (7.87, 8.12, 120.33 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.77: * H ALA 78 + H ALA 79 OK 77 100 - 77 - 1119=41, 3343/3.7=20...(15) Peak 360 from nnoeabs.peaks (4.16, 8.12, 120.33 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 78 + H ALA 79 OK 100 100 - 100 - 3.6=100 Peak 361 from nnoeabs.peaks (1.40, 8.12, 120.33 ppm; 3.00 A): 1 out of 7 assignments used, quality = 0.77: * QB ALA 78 + H ALA 79 OK 77 100 - 77 - 3.7=53, 2.9/359=23...(13) HG2 LYS 41 - H ALA 79 lone 9 100 - 9 - 3.0/6479=2, 6473/2.9=1 HG2 LYS 61 - H ALA 79 lone 4 78 - 6 - HG3 LYS 61 - H ALA 79 lone 4 76 - 5 - HB3 LEU 53 - H ALA 79 lone 4 97 - 4 - HG3 LYS 45 - H ALA 79 lone 3 100 - 3 - HD3 LYS 86 - H ALA 79 lone 3 76 - 4 - 6677/4.6=1 Peak 362 from nnoeabs.peaks (8.12, 7.57, 119.63 ppm; 3.30 A): 1 out of 4 assignments used, quality = 0.77: * H ALA 79 + H ILE 80 OK 77 100 - 77 - 4.6=36, 2.9/364=18...(18) H ILE 39 - H ILE 80 lone 8 100 - 8 - H GLU 23 - H ILE 80 lone 6 99 - 6 - 3.6/1192=2 H ASN 13 - H ILE 80 lone 2 63 - 3 - Peak 363 from nnoeabs.peaks (4.27, 7.57, 119.63 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 79 + H ILE 80 OK 100 100 - 100 - 3.6=100 Peak 364 from nnoeabs.peaks (1.67, 7.57, 119.63 ppm; 3.07 A): 1 out of 18 assignments used, quality = 0.83: * QB ALA 79 + H ILE 80 OK 83 100 - 83 - 3.7=58, 2.9/362=19...(15) HB ILE 40 - H ILE 80 lone 7 93 - 7 - 3.0/1192=3 HG12 ILE 40 - H ILE 80 lone 4 63 - 7 - 3.8/1192=2 HG12 ILE 27 - H ILE 80 lone 3 97 - 3 - HB2 MET 50 - H ILE 80 lone 3 87 - 4 - HD3 LYS 94 - H ILE 80 lone 3 98 - 3 - HD2 LYS 94 - H ILE 80 lone 3 98 - 3 - HG3 ARG 57 - H ILE 80 lone 3 96 - 3 - HG2 ARG 57 - H ILE 80 lone 2 93 - 3 - HG12 ILE 39 - H ILE 80 lone 2 73 - 3 - 1983/4.6=1, 4.6/362=1 HD3 LYS 63 - H ILE 80 lone 2 95 - 2 - HD2 LYS 44 - H ILE 80 lone 2 95 - 2 - HD3 LYS 61 - H ILE 80 lone 2 95 - 2 - HD2 LYS 61 - H ILE 80 lone 2 95 - 2 - HG3 GLN 19 - H ILE 80 lone 2 81 - 3 - 3.5/1121=1 HD3 LYS 44 - H ILE 80 lone 2 93 - 2 - HD3 LYS 35 - H ILE 80 lone 1 89 - 2 - HB3 LYS 61 - H ILE 80 lone 1 97 - 1 - Peak 365 from nnoeabs.peaks (7.57, 7.96, 117.78 ppm; 3.09 A): 4 out of 6 assignments used, quality = 0.86: * H ILE 80 + H ASP 81 OK 65 100 - 65 - 4.6=30, 956/4.5=11...(14) QD PHE 83 + H ASP 84 OK 26 51 - 52 - 4.6=31, 4612/3.6=13...(6) H ILE 80 + H ASP 84 OK 25 59 - 42 - 1121=14, 4.0/4324=5...(13) QD PHE 83 + H ASP 81 OK 25 93 - 27 - 4.4/1124=5, 3366/4.4=4...(7) HE21 GLN 48 - H ASP 81 lone 7 97 - 7 - 3366/4.4=1, 3359/4.5=1 HE21 GLN 48 - H ASP 84 lone 3 55 - 5 - 572/3.6=1 Peak 366 from nnoeabs.peaks (3.42, 7.96, 117.78 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + H ASP 81 OK 100 100 - 100 - 3.6=100 Peak 367 from nnoeabs.peaks (1.72, 7.96, 117.78 ppm; 2.97 A): 4 out of 14 assignments used, quality = 0.78: * HB ILE 80 + H ASP 81 OK 63 100 - 63 - 4.5=29, 2.1/4324=11...(14) HB ILE 80 + H ASP 84 OK 19 59 - 33 - 4323=8, 2.1/4324=7...(9) HD2 LYS 35 + H ASP 81 OK 14 78 - 18 - 5239/3.0=4, ~5240=3...(7) HD2 LYS 77 + H ASP 81 OK 13 87 - 15 - 4.6/1198=4, 3.0/6549=3...(6) HB2 LEU 53 - H ASP 81 lone 6 100 - 6 - 5817/4.4=1 HD2 LYS 45 - H ASP 81 lone 2 89 - 3 - HD2 LYS 77 - H ASP 84 lone 2 46 - 5 - 4.6/4472=2 HD3 LYS 45 - H ASP 81 lone 2 85 - 3 - HB2 LEU 53 - H ASP 84 lone 1 59 - 2 - HG12 ILE 39 - H ASP 81 lone 1 63 - 2 - HD2 LYS 45 - H ASP 84 lone 1 47 - 2 - HD3 LYS 45 - H ASP 84 lone 1 44 - 2 - HG12 ILE 39 - H ASP 84 lone 0 30 - 1 - HD2 LYS 35 - H ASP 84 lone 0 40 - 1 - Peak 368 from nnoeabs.peaks (0.84, 7.96, 117.78 ppm; 3.26 A): 6 out of 20 assignments used, quality = 0.93: * QG2 ILE 80 + H ASP 81 OK 78 100 - 78 - 4.4=42, 2.1/367=18...(13) QG2 ILE 80 + H ASP 84 OK 30 59 - 51 - 4324=12, 2.1/4323=8...(12) QG2 ILE 37 + H ASP 81 OK 26 100 - 27 - 3.3/370=5, ~7079=4...(8) QG2 VAL 30 + H ASP 81 OK 17 100 - 17 - 1660=3, 2.1/1655=1...(6) QG2 ILE 16 + H ASP 81 OK 15 93 - 17 - 4627/4.6=3, 7056/3.6=3...(4) QG1 VAL 30 + H ASP 81 OK 15 100 - 15 - 2.1/1660=2, 1665=2...(5) QG2 ILE 37 - H ASP 84 poor 10 58 - 17 - 5303/4.6=5, 7080/4.3=2...(4) QG1 VAL 30 - H ASP 84 poor 10 59 - 16 - 5071/4.6=2, 5047/4.3=2...(7) QG2 VAL 30 - H ASP 84 poor 9 59 - 14 - 1660=2, 2.1/1665=1...(6) QG2 ILE 16 - H ASP 84 poor 8 51 - 16 - 4627/4.6=4, ~6626=2...(5) QD2 LEU 62 - H ASP 81 lone 6 99 - 6 - QD2 LEU 62 - H ASP 84 lone 5 58 - 9 - 6639/4.0=2, ~6636=1 QD1 ILE 51 - H ASP 81 lone 5 63 - 8 - 3.2/5704=2, 5710=1, 3.2/369=1 QG2 ILE 40 - H ASP 81 lone 4 63 - 6 - 3.2/1198=2 QG1 VAL 18 - H ASP 81 lone 3 68 - 5 - QG2 VAL 25 - H ASP 81 lone 3 68 - 5 - 3.2/1197=1 QD1 ILE 51 - H ASP 84 lone 2 30 - 8 - 3.2/5704=2, 5710=1 QG2 VAL 25 - H ASP 84 lone 2 33 - 5 - 4738/4.6=1, 5047/4.3=1 QG1 VAL 18 - H ASP 84 lone 2 33 - 5 - 4715/6923=1 QG2 ILE 40 - H ASP 84 lone 1 30 - 4 - 4738/4.6=1 Peak 369 from nnoeabs.peaks (1.45, 7.96, 117.78 ppm; 3.94 A): 3 out of 20 assignments used, quality = 0.83: * HG12 ILE 80 + H ASP 81 OK 71 100 - 71 - 2.9/367=19, 2.1/371=18...(13) HG12 ILE 80 + H ASP 84 OK 27 59 - 46 - 3.2/4324=10, 2.9/4323=9...(9) QB ALA 31 + H ASP 81 OK 20 97 - 21 - 5077=5, 5080/3.0=3...(7) HB ILE 51 - H ASP 81 lone 10 100 - 10 - 2.1/5704=3, 3.2/5710=3 QB ALA 31 - H ASP 84 poor 7 54 - 13 - 5077=3, 2.9/104=2...(5) HG13 ILE 51 - H ASP 81 lone 7 85 - 8 - 2.1/5710=3, 3.2/5704=3 HG3 LYS 94 - H ASP 81 lone 6 97 - 7 - 4.9/6924=4 HB ILE 51 - H ASP 84 lone 6 58 - 10 - 2.1/5704=3, 3.2/5710=3 HG3 LYS 94 - H ASP 84 poor 6 54 - 10 - 4.9/6924=6, ~7164=3 QG2 THR 67 - H ASP 81 lone 5 100 - 5 - 958/4.6=1 HG13 ILE 51 - H ASP 84 lone 4 44 - 9 - 2.1/5710=3, 3.2/5704=3 HG2 LYS 63 - H ASP 81 lone 4 85 - 4 - 3.0/6549=1 HG3 LYS 63 - H ASP 81 lone 4 85 - 4 - 3.0/6549=1 HB2 LYS 41 - H ASP 81 lone 4 89 - 4 - HG2 LYS 44 - H ASP 81 lone 2 83 - 2 - QG2 THR 67 - H ASP 84 lone 2 59 - 3 - HB2 LYS 41 - H ASP 84 lone 1 47 - 3 - HG2 LYS 63 - H ASP 84 lone 1 44 - 3 - HG3 LYS 63 - H ASP 84 lone 1 44 - 3 - HG2 LYS 44 - H ASP 84 lone 1 43 - 1 - Peak 370 from nnoeabs.peaks (0.36, 7.96, 117.78 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.95: * HG13 ILE 80 + H ASP 81 OK 83 100 - 83 - 3357/3.6=24, 2.9/367=22...(18) QD1 ILE 37 + H ASP 81 OK 55 90 - 61 - 7079/3.0=20, 6578/4.6=11...(18) HG13 ILE 80 + H ASP 84 OK 33 59 - 56 - 3.2/4324=11, 2.9/4323=11...(12) QD1 ILE 37 - H ASP 84 OK 18 48 - 38 - 4739/4.6=12, 5324/4.7=6...(12) Peak 371 from nnoeabs.peaks (-0.18, 7.96, 117.78 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.90: * QD1 ILE 80 + H ASP 81 OK 79 100 - 79 - 3372/4.4=20, 3.2/367=18...(16) QD1 ILE 80 + H ASP 84 OK 34 59 - 58 - 4327=11, 3.0/4324=10...(14) QD2 LEU 21 + H ASP 81 OK 30 99 - 31 - 3358/3.6=9, 3372/4.4=7...(5) QD2 LEU 21 - H ASP 84 poor 10 57 - 17 - ~6635=3, 1466/4.7=2...(6) Peak 372 from nnoeabs.peaks (7.96, 8.49, 117.22 ppm; 3.22 A): 3 out of 10 assignments used, quality = 0.82: * H ASP 81 + H TRP 82 OK 69 100 - 69 - 4.6=33, 4.0/375=13...(12) H ASP 84 + H TRP 82 OK 36 100 - 37 - 386=7, 1124/4.6=6...(12) H VAL 30 + H TRP 82 OK 12 92 - 13 - 4500/3.0=2, 6558/4.0=2...(6) HE21 GLN 19 - H TRP 82 lone 8 99 - 8 - 4500/3.0=2, 6558/4.0=1...(4) H ASP 81 - H ASP 72 poor 5 45 - 11 - 1122=2, 4.6/1194=1, 4.0/4329=1 HD21 ASN 14 - H TRP 82 lone 4 65 - 7 - 5.7/7167=2, 3.5/967=1 H ASP 84 - H ASP 72 lone 3 44 - 6 - 386=1 HD21 ASN 14 - H ASP 72 lone 1 23 - 5 - 5.7/7167=2, ~6285=1 H VAL 30 - H ASP 72 lone 1 37 - 2 - HE21 GLN 19 - H ASP 72 lone 0 43 - 1 - Peak 373 from nnoeabs.peaks (4.31, 8.49, 117.22 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 81 + H TRP 82 OK 100 100 - 100 - 3.6=100 Peak 374 from nnoeabs.peaks (2.72, 8.49, 117.22 ppm; 3.39 A): 4 out of 10 assignments used, quality = 0.84: * HB2 ASP 81 + H TRP 82 OK 69 100 - 69 - 4.4=45, 1.8/375=26...(7) HB3 ASP 72 + H ASP 72 OK 32 45 - 70 - 4.1=58, 1.8/3126=14...(5) HB3 ASN 13 + H TRP 82 OK 13 100 - 13 - 4.6/7167=4, 1.8/967=4...(4) HB3 PHE 17 + H TRP 82 OK 12 99 - 12 - 6579/3.0=5, ~4661=2...(4) HB3 ASP 72 - H TRP 82 lone 8 100 - 7 - 3130=1 HB3 ASN 13 - H ASP 72 poor 5 45 - 10 - 4.6/7167=4, 6322/4.8=1...(4) HB3 PHE 17 - H ASP 72 lone 4 43 - 10 - 6327/4.8=4, 6322/4.8=3 HB2 ASP 81 - H ASP 72 lone 4 45 - 8 - 4329=2, 1.8/4330=2 HB3 ASN 24 - H TRP 82 lone 2 100 - 1 - HB3 ASN 24 - H ASP 72 lone 0 44 - 1 - Peak 375 from nnoeabs.peaks (2.63, 8.49, 117.22 ppm; 3.62 A): 1 out of 6 assignments used, quality = 0.76: * HB3 ASP 81 + H TRP 82 OK 76 100 - 76 - 4.4=55, 1.8/4329=19...(7) HB3 ASP 32 - H TRP 82 lone 7 98 - 7 - 964/4.6=2, 1685/3.6=2 HB3 ASP 12 - H TRP 82 lone 5 99 - 5 - ~6579=2 HB3 ASP 81 - H ASP 72 lone 4 45 - 8 - 4330=2, 1.8/4329=2, 4.0/1122=1 HB3 ASP 12 - H ASP 72 lone 1 43 - 3 - 1685/4.8=2 HB3 ASP 32 - H ASP 72 lone 1 42 - 2 - Peak 377 from nnoeabs.peaks (4.36, 8.48, 111.91 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + H PHE 83 OK 100 100 - 100 - 3.6=100 Peak 378 from nnoeabs.peaks (2.54, 8.48, 111.91 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.85: * HB2 TRP 82 + H PHE 83 OK 80 100 - 80 - 4.3=56, 1.8/379=24...(12) HB3 ASN 14 + H PHE 83 OK 13 85 - 16 - 1.8/978=6, 4.0/7167=5...(5) HB2 ASN 13 + H PHE 83 OK 11 96 - 11 - 4.6/7167=4, 967/4.6=2...(4) HB3 ASN 43 - H PHE 83 lone 2 97 - 2 - Peak 379 from nnoeabs.peaks (3.09, 8.48, 111.91 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.92: * HB3 TRP 82 + H PHE 83 OK 90 100 - 90 - 4.3=71, 1.8/378=31...(12) HB2 TYR 33 + H PHE 83 OK 12 100 - 12 - 1696/4.4=4, 5142/8.1=2...(4) HE3 LYS 41 + H PHE 83 OK 11 100 - 11 - 4170=1, 3.8/4165=1, 968/4.6=1 HE3 LYS 77 - H PHE 83 lone 3 100 - 3 - HE2 LYS 77 - H PHE 83 lone 2 76 - 3 - HB2 ASP 56 - H PHE 83 lone 1 71 - 2 - Peak 380 from nnoeabs.peaks (5.26, 8.48, 111.91 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.88: * HD1 TRP 82 + H PHE 83 OK 88 100 - 88 - 4580/4.3=35, 3.9/379=30...(13) HA SER 69 - H PHE 83 poor 9 78 - 12 - 4801/4.4=3, 4818/6.4=3 Peak 386 from nnoeabs.peaks (8.48, 7.95, 118.26 ppm; 3.16 A): 4 out of 18 assignments used, quality = 0.88: * H PHE 83 + H ASP 84 OK 61 100 - 61 - 4.7=31, 978/4.3=11...(12) H TRP 82 + H ASP 84 OK 34 92 - 37 - 372=11, 4.6/1124=6...(11) H TRP 82 + H ASP 81 OK 31 50 - 63 - 4.6=32, 375/4.0=11...(12) H PHE 83 + H ASP 81 OK 30 59 - 50 - 1124=17, 4.6/372=7...(14) H ALA 98 - H ASP 84 lone 8 100 - 8 - 458/4.0=1, 6641/4.6=1, 4.4/985=1 H ALA 98 - H ASP 81 poor 8 59 - 14 - 7017/4.4=3, 4488/3.6=2...(7) H LEU 21 - H ASP 84 lone 7 97 - 7 - 5.2/6632=2, 6641/4.6=1 H ASP 72 - H ASP 84 lone 6 100 - 6 - H ILE 93 - H ASP 84 lone 5 78 - 7 - 423/3.6=2, 4733/4.6=1 H ASP 72 - H ASP 81 lone 5 59 - 8 - 372=2 H LEU 21 - H ASP 81 lone 5 55 - 9 - 4488/3.6=2, 4813/4.4=1 H THR 42 - H ASP 84 lone 3 99 - 3 - H THR 42 - H ASP 81 lone 2 57 - 4 - H ASP 71 - H ASP 84 lone 2 63 - 4 - 4.3/986=1 H THR 15 - H ASP 84 lone 2 76 - 2 - H THR 15 - H ASP 81 lone 1 38 - 3 - H ASP 71 - H ASP 81 lone 1 30 - 3 - H ILE 93 - H ASP 81 lone 1 40 - 2 - Peak 387 from nnoeabs.peaks (4.66, 7.95, 118.26 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + H ASP 84 OK 100 100 - 100 - 3.6=100 Peak 388 from nnoeabs.peaks (3.43, 7.95, 118.26 ppm; 3.54 A): 5 out of 10 assignments used, quality = 0.95: * HB2 PHE 83 + H ASP 84 OK 70 100 - 70 - 4.3=54, 1.8/389=17...(7) HA ILE 80 + H ASP 84 OK 52 95 - 55 - 4491/4.3=11, 3.0/1121=9...(13) HA ILE 80 + H ASP 81 OK 52 52 - 99 - 3.6=98, 3.0/1121=15...(15) HB2 PHE 83 + H ASP 81 OK 14 59 - 24 - 4.0/1124=8, 3367/4.4=4...(6) HB2 PHE 34 + H ASP 84 OK 10 93 - 11 - 1.8/986=3, 977/4.7=2, 2.4/4677=2 HB2 PHE 70 - H ASP 84 lone 9 99 - 9 - 1.8/986=3, 7118/4.3=2, 977/4.7=1 HB2 PHE 34 - H ASP 81 poor 6 51 - 12 - 3367/4.4=3, 1.8/986=2...(4) HB2 PHE 70 - H ASP 81 lone 4 57 - 6 - 1.8/3542=2, 3367/4.4=1 HB2 SER 89 - H ASP 84 lone 1 83 - 1 - HB2 SER 89 - H ASP 81 lone 1 43 - 1 - Peak 389 from nnoeabs.peaks (3.48, 7.95, 118.26 ppm; 4.19 A): 1 out of 8 assignments used, quality = 0.94: * HB3 PHE 83 + H ASP 84 OK 94 100 - 94 - 4.3=90, 978/4.7=19...(7) HB3 PHE 83 - H ASP 81 OK 22 59 - 37 - 4491/3.6=21, 4.0/1124=11...(6) HB2 ASN 14 - H ASP 84 OK 13 99 - 13 - 978/4.7=4, 4527/4.0=3 HB2 ASN 14 - H ASP 81 poor 6 57 - 10 - 4491/3.6=5 HA ILE 27 - H ASP 84 lone 4 57 - 8 - 4407=1 HD3 PRO 74 - H ASP 84 lone 4 96 - 4 - HA ILE 27 - H ASP 81 lone 3 27 - 10 - 4491/3.6=2, 4407=1, 3.6/1137=1 HD3 PRO 74 - H ASP 81 lone 2 53 - 5 - 4491/3.6=2 Peak 394 from nnoeabs.peaks (7.95, 8.62, 115.40 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.98: * H ASP 84 + H GLY 85 OK 98 100 - 98 - 4.6=88, 2.9/4345=41...(12) H ASP 81 - H GLY 85 OK 30 100 - 31 - 3538/4.5=8, 1125=7...(8) H VAL 30 - H GLY 85 lone 5 83 - 6 - 3538/4.5=1, 3542/4.5=1 HE21 GLN 19 - H GLY 85 lone 5 100 - 4 - HD21 ASN 14 - H GLY 85 lone 3 78 - 3 - Peak 395 from nnoeabs.peaks (4.46, 8.62, 115.40 ppm; 2.94 A): 2 out of 5 assignments used, quality = 0.85: * HA ASP 84 + H GLY 85 OK 78 100 - 78 - 3.6=56, 2.9/1125=12...(12) HA LYS 86 + H GLY 85 OK 32 100 - 32 - 3.0/398=21, 6642/3.0=5...(6) HA THR 46 - H GLY 85 lone 7 96 - 7 - 2.9/1096=1, 6643/3.0=1 HA PHE 88 - H GLY 85 lone 2 73 - 3 - HA THR 59 - H GLY 85 lone 0 65 - 0 - Peak 396 from nnoeabs.peaks (3.19, 8.62, 115.40 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ASP 84 + H GLY 85 OK 99 100 - 99 - 4.5=98, 3.0/4345=41...(11) HB2 PHE 97 - H GLY 85 OK 17 100 - 17 - 4.4/6641=3, 6885/6928=3...(6) HD3 ARG 57 - H GLY 85 lone 5 92 - 5 - 6885/6928=1, 6874/6640=1 HD2 ARG 57 - H GLY 85 lone 4 89 - 5 - 6885/6928=1 Peak 397 from nnoeabs.peaks (2.78, 8.62, 115.40 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + H GLY 85 OK 100 100 - 100 - 4.5=100 Peak 398 from nnoeabs.peaks (8.62, 8.01, 120.17 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.53: * H GLY 85 + H LYS 86 OK 53 100 - 53 - 4.5=34, 3.6/6622=11...(8) H GLY 47 - H LYS 86 lone 2 78 - 3 - Peak 399 from nnoeabs.peaks (3.88, 8.01, 120.17 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 85 + H LYS 86 OK 100 100 - 100 - 3.6=100 Peak 400 from nnoeabs.peaks (4.26, 8.01, 120.17 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 85 + H LYS 86 OK 100 100 - 100 - 3.6=100 Peak 401 from nnoeabs.peaks (8.01, 8.19, 115.59 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.97: * H LYS 86 + H GLU 87 OK 97 100 - 97 - 4.6=79, 3.0/4350=33...(11) H GLY 22 - H GLU 87 OK 21 93 - 22 - 4.6/6693=6, 4846=4...(6) H LYS 63 - H GLU 87 OK 17 93 - 18 - 3582/4.8=3, 3572/4.6=3...(7) H PHE 34 - H GLU 87 lone 7 73 - 10 - 3592/4.8=2, 3582/4.8=2...(4) Peak 402 from nnoeabs.peaks (4.46, 8.19, 115.59 ppm; 2.84 A): 3 out of 4 assignments used, quality = 0.85: * HA LYS 86 + H GLU 87 OK 78 100 - 79 - 3.6=50, 3.0/403=21...(10) HA PHE 88 + H GLU 87 OK 19 83 - 22 - 3.0/1128=11, ~412=5...(4) HA ASP 84 + H GLU 87 OK 12 100 - 12 - 6622/4.6=6, 3583/4.8=2 HA THR 46 - H GLU 87 lone 3 99 - 3 - 3583/4.8=1 Peak 403 from nnoeabs.peaks (2.07, 8.19, 115.59 ppm; 2.89 A): 1 out of 4 assignments used, quality = 0.72: * HB2 LYS 86 + H GLU 87 OK 72 100 - 72 - 1.8/404=26, 4.6=24...(8) HB2 GLU 28 - H GLU 87 lone 2 99 - 2 - HB2 LYS 35 - H GLU 87 lone 1 85 - 2 - HB3 GLU 23 - H GLU 87 lone 0 98 - 0 - Peak 404 from nnoeabs.peaks (2.28, 8.19, 115.59 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.84: * HB3 LYS 86 + H GLU 87 OK 84 100 - 84 - 1.8/403=38, 4.6=35...(8) HG2 MET 50 - H GLU 87 lone 2 98 - 2 - HG2 GLU 28 - H GLU 87 lone 2 83 - 2 - HB3 PRO 73 - H GLU 87 lone 1 90 - 1 - HG3 GLN 36 - H GLU 87 lone 1 81 - 1 - Peak 405 from nnoeabs.peaks (1.50, 8.19, 115.59 ppm; 3.86 A): 1 out of 8 assignments used, quality = 0.93: * HG2 LYS 86 + H GLU 87 OK 93 100 - 93 - 4.8=52, 2.8/403=37...(9) HG2 LYS 94 - H GLU 87 OK 16 97 - 17 - 3556/3.6=4, 994/4.6=4...(5) HG13 ILE 93 - H GLU 87 OK 15 68 - 22 - 3.0/1004=6, 3.2/6800=4...(6) HG3 LYS 41 - H GLU 87 lone 7 95 - 7 - 3556/3.6=2, 1.8/408=1, 994/4.6=1 HB2 LYS 41 - H GLU 87 lone 6 68 - 9 - 4.6/6693=2, 5466/4.6=1...(4) HG LEU 53 - H GLU 87 lone 5 100 - 5 - HG2 LYS 44 - H GLU 87 lone 4 76 - 5 - 1.8/1003=1, 2.9/1002=1 HG2 LYS 45 - H GLU 87 lone 3 83 - 3 - Peak 406 from nnoeabs.peaks (1.25, 8.19, 115.59 ppm; 4.09 A): 1 out of 5 assignments used, quality = 0.96: * HG3 LYS 86 + H GLU 87 OK 96 100 - 96 - 4.8=61, 2.8/403=40...(8) QB ALA 98 - H GLU 87 lone 7 89 - 7 - 2.9/6693=4, 995/4.6=1 QG2 THR 26 - H GLU 87 lone 5 90 - 6 - 995/4.6=1, 3557/3.6=1 HG3 LYS 35 - H GLU 87 lone 3 89 - 4 - 3557/3.6=1 QG2 THR 59 - H GLU 87 lone 3 68 - 4 - 5918/4.6=1, 3557/3.6=1 Peak 408 from nnoeabs.peaks (1.42, 8.19, 115.59 ppm; 4.14 A): 2 out of 10 assignments used, quality = 0.90: * HD3 LYS 86 + H GLU 87 OK 88 100 - 88 - 3.4/403=35, 3.4/404=32...(9) HG3 LYS 94 + H GLU 87 OK 14 83 - 17 - 1.8/405=4, 3559/3.6=4...(5) HG3 LYS 63 - H GLU 87 poor 10 96 - 10 - 3559/3.6=3, 2.9/1002=2...(4) HG2 LYS 63 - H GLU 87 poor 10 96 - 10 - 3559/3.6=3, 2.9/1002=2...(4) HG13 ILE 51 - H GLU 87 lone 7 96 - 7 - 4356=2, 5737/5.0=2 HG2 LYS 41 - H GLU 87 lone 6 73 - 9 - 1.8/405=2, 3559/3.6=2...(4) HG2 LYS 61 - H GLU 87 lone 4 100 - 4 - HG3 LYS 61 - H GLU 87 lone 4 100 - 4 - HG3 LYS 45 - H GLU 87 lone 3 85 - 3 - QB ALA 78 - H GLU 87 lone 2 76 - 3 - Peak 411 from nnoeabs.peaks (8.19, 9.16, 126.95 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 87 + H PHE 88 OK 98 100 - 98 - 4.6=91, 3.0/412=41...(10) H GLY 20 - H PHE 88 OK 25 83 - 30 - 3654/4.1=6, 4.6/6699=6...(9) Peak 412 from nnoeabs.peaks (4.70, 9.16, 126.95 ppm; 2.90 A): 1 out of 5 assignments used, quality = 0.75: * HA GLU 87 + H PHE 88 OK 75 100 - 75 - 3.6=54, 3.0/414=13...(8) HA SER 96 - H PHE 88 lone 3 100 - 3 - 6955/6712=1 HA LEU 53 - H PHE 88 lone 2 100 - 2 - HA THR 26 - H PHE 88 lone 1 89 - 1 - HB THR 26 - H PHE 88 lone 1 89 - 1 - Peak 413 from nnoeabs.peaks (1.88, 9.16, 126.95 ppm; 3.98 A): 1 out of 12 assignments used, quality = 0.98: * HB2 GLU 87 + H PHE 88 OK 98 100 - 98 - 4.1=90, 3.0/412=35...(10) HB2 PRO 92 - H PHE 88 OK 25 89 - 28 - 4.1/6795=14, 1.8/1008=5...(7) HD3 LYS 77 - H PHE 88 lone 5 89 - 6 - 3.0/414=1, 3.0/414=1 HB ILE 27 - H PHE 88 lone 5 87 - 5 - 4944/3.6=1 HB ILE 37 - H PHE 88 lone 4 60 - 6 - 3.0/6710=3, 7202/6.5=2 HB2 LEU 62 - H PHE 88 lone 4 99 - 4 - HB ILE 16 - H PHE 88 lone 3 68 - 5 - 2.1/6716=2 HB2 LYS 63 - H PHE 88 lone 3 100 - 3 - 1002/4.6=1 HB3 LYS 44 - H PHE 88 lone 3 81 - 4 - HB2 LYS 44 - H PHE 88 lone 3 73 - 3 - HB2 ARG 57 - H PHE 88 lone 2 97 - 2 - HB3 ARG 57 - H PHE 88 lone 2 97 - 2 - Peak 414 from nnoeabs.peaks (1.56, 9.16, 126.95 ppm; 3.61 A): 2 out of 7 assignments used, quality = 0.92: * HB3 GLU 87 + H PHE 88 OK 91 100 - 91 - 4.1=67, 3.0/412=30...(10) HD2 LYS 86 + H PHE 88 OK 12 89 - 14 - 4355/4.6=8, 3603/3.0=2 HG2 LYS 77 - H PHE 88 lone 4 98 - 4 - HG3 LYS 77 - H PHE 88 lone 4 97 - 4 - HB3 PRO 49 - H PHE 88 lone 4 100 - 4 - HG3 LYS 44 - H PHE 88 lone 4 100 - 3 - HB3 LYS 94 - H PHE 88 lone 2 78 - 3 - 1003/4.6=1 Peak 415 from nnoeabs.peaks (1.80, 9.16, 126.95 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.97: * HG2 GLU 87 + H PHE 88 OK 84 100 - 85 - 3.8/412=30, 4362=26...(11) HB ILE 93 + H PHE 88 OK 78 99 - 79 - 2.1/6799=36, 3.0/6710=20...(14) HG LEU 62 - H PHE 88 lone 5 97 - 5 - HB3 GLU 65 - H PHE 88 lone 3 73 - 5 - 3.0/4363=2 HB2 LYS 94 - H PHE 88 lone 3 78 - 4 - 1004/4.6=1 HB2 GLN 48 - H PHE 88 lone 3 99 - 3 - HB ILE 39 - H PHE 88 lone 1 78 - 2 - Peak 416 from nnoeabs.peaks (2.20, 9.16, 126.95 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.83: HB2 PHE 88 + H PHE 88 OK 83 83 - 100 - 3.6=100 Reference assignment not found: HG3 GLU 87 - H PHE 88 Peak 417 from nnoeabs.peaks (3.80, 8.43, 103.32 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 89 + H GLY 90 OK 100 100 - 100 - 3.6=100 Peak 420 from nnoeabs.peaks (8.43, 7.76, 119.06 ppm; 4.22 A): 3 out of 12 assignments used, quality = 0.96: * H GLY 90 + H ASN 91 OK 85 100 - 85 - 4.6=76, 4.6/6759=14...(8) H GLY 60 + H LYS 61 OK 50 56 - 89 - 4.6=76, 4.4/5924=15...(14) H GLY 60 + H ASN 91 OK 46 100 - 46 - 1104=15, 3.6/5923=11...(8) H ILE 93 - H ASN 91 OK 31 78 - 40 - 4.0/6802=16, 6795/6777=6...(9) H ASP 71 - H ASN 91 poor 10 90 - 10 - 6253/4.8=3, 4.4/1022=1 H GLY 90 - H LYS 61 poor 7 56 - 11 - 4.6/6736=3, 4.6/6731=3 H THR 67 - H ASN 91 lone 6 99 - 6 - 6103/6802=2 H THR 15 - H ASN 91 lone 4 81 - 4 - 4540/5.7=1 H THR 67 - H LYS 61 lone 3 54 - 5 - H ILE 93 - H LYS 61 lone 3 37 - 7 - 4.0/6802=3 H ASP 71 - H LYS 61 lone 3 45 - 6 - 6254/3.6=1 H THR 15 - H LYS 61 lone 1 39 - 2 - Peak 421 from nnoeabs.peaks (3.60, 7.76, 119.06 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 90 + H ASN 91 OK 100 100 - 100 - 3.6=100 Peak 422 from nnoeabs.peaks (4.16, 7.76, 119.06 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 90 + H ASN 91 OK 100 100 - 100 - 3.6=100 HA3 GLY 60 - H LYS 61 OK 44 44 - 100 - 3.6=100 Peak 423 from nnoeabs.peaks (4.66, 8.46, 117.14 ppm; 2.93 A): 2 out of 12 assignments used, quality = 0.72: * HA PRO 92 + H ILE 93 OK 67 100 - 68 - 3.5=56, 2.3/4373=7...(8) HA PHE 83 + H ILE 93 OK 14 100 - 15 - 6816/5.0=4, 6822/4.9=4...(5) HA PRO 92 - H LEU 21 poor 5 51 - 10 - 4371=3, 2.3/4373=1, 3.8/4375=1 HA GLN 48 - H ILE 93 lone 3 95 - 3 - HB THR 26 - H ILE 93 lone 2 63 - 3 - HA PHE 83 - H LEU 21 lone 2 50 - 4 - HA PRO 92 - H ASP 72 lone 1 44 - 3 - HA PHE 83 - H ASP 72 lone 1 43 - 3 - HA GLN 48 - H LEU 21 lone 1 44 - 2 - HA GLN 48 - H ASP 72 lone 0 38 - 1 - HB THR 26 - H LEU 21 lone 0 25 - 1 - HB THR 26 - H ASP 72 lone 0 22 - 0 - Peak 424 from nnoeabs.peaks (1.87, 8.46, 117.14 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + H ILE 93 OK 100 100 - 100 - 4.1=100 Peak 425 from nnoeabs.peaks (2.17, 8.46, 117.14 ppm; 3.83 A): 2 out of 30 assignments used, quality = 0.97: * HB3 PRO 92 + H ILE 93 OK 93 100 - 93 - 4.1=83, 2.3/423=30...(8) HG3 PRO 92 + H ILE 93 OK 55 100 - 55 - 3.8/423=20, 2.3/4373=13...(8) HB2 PHE 88 - H ILE 93 OK 38 99 - 39 - 6714/4.0=16, 3.6/6795=15...(5) HB2 PHE 88 - H LEU 21 OK 27 48 - 56 - ~4741=11, ~6709=11...(10) HB2 PRO 73 - H ASP 72 OK 23 42 - 55 - ~6287=11, ~6328=10...(11) HG3 GLU 87 - H ILE 93 OK 19 63 - 30 - 3.8/7206=10, 1.8/6696=6...(8) HB VAL 30 - H ILE 93 OK 12 76 - 15 - 5043/4.0=4, 6831/4.0=2...(5) HB3 LYS 35 - H ILE 93 OK 10 98 - 11 - 1804/4.7=3, 5230/4.0=2...(5) HB3 PRO 92 - H LEU 21 OK 10 51 - 21 - 4373=3, 2.3/4371=3...(9) HG3 PRO 92 - H LEU 21 poor 9 50 - 18 - 4375=3, 2.3/4373=2...(7) HB VAL 30 - H LEU 21 poor 7 32 - 23 - 4804/4.7=5, 5106/4.7=5...(7) HG3 GLU 87 - H LEU 21 poor 5 25 - 19 - 1.8/6696=4, 3.0/6695=3...(7) HG2 GLU 65 - H ILE 93 lone 5 76 - 6 - 3.9/6014=2 HG2 GLU 65 - H LEU 21 poor 5 32 - 15 - 3.9/6014=7, 3666/4.6=2...(5) HB3 GLN 48 - H ILE 93 lone 4 68 - 5 - 3.0/423=1, 6833/4.0=1 HB2 PRO 73 - H ILE 93 lone 3 99 - 3 - HB2 PRO 73 - H LEU 21 lone 3 49 - 6 - 4800/2.9=1 HG3 PRO 92 - H ASP 72 lone 2 43 - 5 - 4375/4.6=2 HB3 LYS 35 - H LEU 21 lone 2 47 - 5 - HB3 PRO 92 - H ASP 72 lone 2 44 - 5 - 4373/4.6=1 HB3 GLN 48 - H LEU 21 lone 1 28 - 5 - HB3 GLU 58 - H ILE 93 lone 1 95 - 1 - HB2 PHE 88 - H ASP 72 lone 1 41 - 2 - HG3 GLU 87 - H ASP 72 lone 1 22 - 4 - HB3 GLU 58 - H ASP 72 lone 1 38 - 2 - HB3 LYS 35 - H ASP 72 lone 1 41 - 2 - HB3 GLU 58 - H LEU 21 lone 1 44 - 1 - HB VAL 30 - H ASP 72 lone 0 27 - 2 - HG2 GLU 65 - H ASP 72 lone 0 27 - 2 - HB3 GLN 48 - H ASP 72 lone 0 24 - 2 - Peak 426 from nnoeabs.peaks (2.02, 8.46, 117.14 ppm; 4.83 A): 2 out of 21 assignments used, quality = 0.69: * HG2 PRO 92 + H ILE 93 OK 65 100 - 65 - 3.8/423=29, 2.3/4373=18...(5) HG2 PRO 92 + H LEU 21 OK 11 51 - 21 - 1.8/4375=5, 4374=4...(6) HB2 LYS 35 - H ILE 93 poor 8 73 - 11 - 1794/4.7=4, 5229/4.0=3 QE MET 50 - H LEU 21 poor 8 49 - 15 - 5691/3.6=6, 5690/3.6=4 QE MET 50 - H ASP 72 poor 6 42 - 15 - 2480/3.6=8, 5673/4164=2 HB3 MET 50 - H ILE 93 lone 5 100 - 5 - 5666/5.0=1 HB3 MET 50 - H LEU 21 lone 4 50 - 8 - 5679/3.6=4 HG2 PRO 92 - H ASP 72 lone 4 44 - 8 - 4374/4.6=2, 4374=1, 1.8/4375=1 HB3 MET 50 - H ASP 72 lone 3 44 - 8 - 5697/1093=2, 5665/4164=1 QE MET 50 - H ILE 93 lone 3 99 - 3 - HG2 PRO 49 - H ILE 93 lone 2 76 - 3 - HB2 GLU 23 - H ILE 93 lone 2 81 - 3 - HB2 LYS 35 - H LEU 21 lone 2 31 - 8 - 5243/4.6=2, 5444/5396=1 HG2 PRO 49 - H ASP 72 lone 2 27 - 8 - ~6287=2, ~6343=2 HG2 PRO 49 - H LEU 21 lone 2 32 - 6 - HB2 GLU 23 - H LEU 21 lone 2 35 - 5 - 4827/4.6=1 HB3 GLN 36 - H ILE 93 lone 2 97 - 2 - HB3 GLN 36 - H LEU 21 lone 1 46 - 3 - HB2 LYS 35 - H ASP 72 lone 1 26 - 4 - HB2 GLU 23 - H ASP 72 lone 1 30 - 3 - HB3 GLN 36 - H ASP 72 lone 1 39 - 2 - Peak 430 from nnoeabs.peaks (8.46, 8.35, 122.18 ppm; 4.20 A): 2 out of 11 assignments used, quality = 0.97: * H ILE 93 + H LYS 94 OK 93 100 - 93 - 4.7=74, 3.0/431=43...(12) H LEU 21 + H LYS 94 OK 51 96 - 54 - 3.6/6860=24, 3.6/6859=13...(10) H ALA 98 - H LYS 94 OK 13 87 - 15 - 6996/3.0=7, ~7001=3, 3816/4.4=1 H THR 42 - H LYS 94 OK 12 92 - 13 - 7168=3, 4.0/6855=2, 4.0/6859=2 H PHE 83 - H LYS 94 OK 10 78 - 13 - 3816/4.4=3, 6603/6856=3...(4) H THR 15 - H LYS 94 lone 9 100 - 8 - 7168=3 H THR 67 - H LYS 94 poor 8 60 - 14 - 3.5/6052=3, 6103/4.4=3 H ASP 71 - H LYS 94 lone 7 99 - 7 - 6254/4.0=1 H GLY 60 - H LYS 94 lone 4 76 - 5 - H ASP 72 - H LYS 94 lone 3 81 - 3 - H GLY 90 - H LYS 94 lone 3 78 - 3 - 3816/4.4=1 Peak 431 from nnoeabs.peaks (5.15, 8.35, 122.18 ppm; 2.80 A): 1 out of 1 assignment used, quality = 0.71: * HA ILE 93 + H LYS 94 OK 71 100 - 71 - 3.6=48, 3817/4.4=12...(12) Peak 432 from nnoeabs.peaks (1.81, 8.35, 122.18 ppm; 2.95 A): 3 out of 8 assignments used, quality = 0.91: * HB ILE 93 + H LYS 94 OK 70 100 - 70 - 4.4=30, 3.0/431=24...(14) HB2 LYS 94 + H LYS 94 OK 65 93 - 69 - 4.0=39, 1.8/3864=15...(18) HG LEU 62 + H LYS 94 OK 13 100 - 13 - 3.0/5965=4, 2.1/5967=2...(4) HB ILE 39 - H LYS 94 lone 5 93 - 5 - 4.4/6868=2, 2.1/6855=1 HG2 GLU 87 - H LYS 94 lone 4 99 - 4 - 6696/4.7=2 HB3 GLU 65 - H LYS 94 lone 4 90 - 5 - 3.0/6857=2 HB2 GLN 48 - H LYS 94 lone 2 100 - 2 - HB2 PRO 74 - H LYS 94 lone 1 60 - 1 - Peak 433 from nnoeabs.peaks (0.72, 8.35, 122.18 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.93: * QG2 ILE 93 + H LYS 94 OK 86 100 - 87 - 4.4=52, 3.2/431=31...(14) QG2 ILE 51 + H LYS 94 OK 45 100 - 45 - 4212=13, 3.2/6855=5...(13) QD1 ILE 40 + H LYS 94 OK 12 63 - 18 - 4.7/6868=3, 5398=2...(5) Peak 434 from nnoeabs.peaks (1.36, 8.35, 122.18 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.93: * HG12 ILE 93 + H LYS 94 OK 89 100 - 90 - 4.2/431=41, 3.0/4377=28...(10) HB VAL 68 + H LYS 94 OK 18 100 - 18 - 2.1/6169=8, 2.1/6174=5...(4) HB3 LEU 53 + H LYS 94 OK 14 57 - 25 - 3.1/5781=7, 3.1/436=6...(6) HG12 ILE 37 + H LYS 94 OK 12 100 - 11 - 4.6/5317=5, 3.2/6855=2 Peak 435 from nnoeabs.peaks (1.52, 8.35, 122.18 ppm; 3.26 A): 3 out of 10 assignments used, quality = 0.97: HB3 LYS 94 + H LYS 94 OK 72 90 - 80 - 4.0=52, 1.8/3854=20...(17) HG2 LYS 94 + H LYS 94 OK 66 92 - 72 - 4.9=29, 2.9/3854=16...(14) * HG13 ILE 93 + H LYS 94 OK 65 100 - 65 - 4.2/431=19, 3.0/4377=15...(14) HB3 LEU 62 - H LYS 94 OK 23 100 - 23 - 5965=6, 1.8/5964=3...(7) HB3 LYS 63 - H LYS 94 OK 21 99 - 21 - 2.9/1035=2, 2.9/1035=2...(11) HG LEU 53 - H LYS 94 OK 13 78 - 16 - 2.1/436=3, 2.1/5781=3...(7) HG2 LYS 45 - H LYS 94 OK 10 99 - 10 - 3848/3.0=2, 3858/4.0=2 HG3 LYS 41 - H LYS 94 lone 7 95 - 7 - HD2 LYS 86 - H LYS 94 lone 6 81 - 8 - 3606/4.9=1 HG2 LYS 86 - H LYS 94 lone 6 68 - 8 - 3848/3.0=2, 3868/4.0=2 Peak 436 from nnoeabs.peaks (0.79, 8.35, 122.18 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.93: * QD1 ILE 93 + H LYS 94 OK 84 100 - 85 - 4.2/431=32, 3840/4.4=22...(19) QG1 VAL 25 + H LYS 94 OK 35 100 - 35 - 3808/3.6=5, 3822/4.4=5...(12) QD1 LEU 53 + H LYS 94 OK 23 85 - 27 - 2.1/5781=6, 2.1/1034=4...(11) QG2 ILE 40 + H LYS 94 OK 12 63 - 19 - 4.0/6868=5, 3.3/433=3...(5) QG2 VAL 25 - H LYS 94 poor 6 57 - 11 - 2.1/4881=4, 3808/3.6=1 Peak 437 from nnoeabs.peaks (8.35, 9.37, 125.38 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H VAL 95 OK 100 100 - 100 - 4.5=100 Peak 438 from nnoeabs.peaks (5.19, 9.37, 125.38 ppm; 2.80 A): 2 out of 2 assignments used, quality = 0.83: * HA LYS 94 + H VAL 95 OK 79 100 - 79 - 3.6=48, 3.0/4383=14...(19) HA ILE 16 + H VAL 95 OK 20 99 - 21 - 4579/4.0=5, 6935/4.6=5...(7) Peak 439 from nnoeabs.peaks (1.82, 9.37, 125.38 ppm; 3.79 A): 2 out of 9 assignments used, quality = 0.94: * HB2 LYS 94 + H VAL 95 OK 90 100 - 90 - 4.6=55, 3.0/4382=37...(14) HB ILE 93 + H VAL 95 OK 35 93 - 38 - 4.4/1131=17, 6845/4.0=9...(5) HG LEU 62 - H VAL 95 OK 13 97 - 14 - 2.1/6903=4, 3.0/440=3...(6) HB2 GLN 48 - H VAL 95 OK 13 90 - 15 - 5612/4.0=11, 6897/4.0=2 HB2 LYS 61 - H VAL 95 lone 7 90 - 7 - HB3 GLU 65 - H VAL 95 lone 4 100 - 4 - HB ILE 39 - H VAL 95 lone 3 100 - 3 - HB2 PRO 74 - H VAL 95 lone 2 92 - 3 - HG2 GLU 87 - H VAL 95 lone 1 78 - 2 - Peak 440 from nnoeabs.peaks (1.54, 9.37, 125.38 ppm; 3.88 A): 2 out of 10 assignments used, quality = 0.96: * HB3 LYS 94 + H VAL 95 OK 94 100 - 94 - 4.6=58, 3.0/4382=38...(14) HG13 ILE 93 + H VAL 95 OK 32 90 - 36 - 3.0/439=6, 6899/4.0=6...(11) HB3 LYS 63 - H VAL 95 OK 20 99 - 20 - 3887/4.9=2, 1033/4.5=2...(11) HB3 LEU 62 - H VAL 95 OK 18 97 - 19 - 5965/4.5=4, 3.1/6903=3...(6) HD2 LYS 86 - H VAL 95 OK 15 100 - 15 - 5.1/6875=3, 3603/6619=3...(6) HG2 LYS 45 - H VAL 95 OK 13 78 - 17 - 3.0/1042=3, 3.0/1042=3...(7) HB3 PRO 49 - H VAL 95 lone 4 68 - 6 - 2.3/1042=2, 5638/4.0=1 HG3 LYS 44 - H VAL 95 lone 4 89 - 4 - HG3 LYS 41 - H VAL 95 lone 3 60 - 5 - HB3 GLU 87 - H VAL 95 lone 2 78 - 2 - Peak 441 from nnoeabs.peaks (1.51, 9.37, 125.38 ppm; 4.03 A): 2 out of 8 assignments used, quality = 0.95: * HG2 LYS 94 + H VAL 95 OK 92 100 - 92 - 4.9=56, 2.9/4383=30...(14) HG13 ILE 93 + H VAL 95 OK 42 92 - 46 - 4385=9, 7088/4.0=8...(10) HG2 LYS 45 - H VAL 95 OK 20 98 - 20 - 3.0/1042=3, 3.0/1042=3...(9) HG2 LYS 86 - H VAL 95 OK 18 97 - 19 - 4.0/6875=5, 3583/6619=3...(8) HB3 LEU 62 - H VAL 95 OK 17 83 - 20 - 5965/4.5=4, 3.1/6903=4...(9) HB3 LYS 63 - H VAL 95 OK 16 76 - 22 - 3848/3.6=3, 3868/4.6=2...(11) HG LEU 53 - H VAL 95 OK 15 99 - 15 - ~5801=3, 6899/4.0=2...(6) HG3 LYS 41 - H VAL 95 lone 8 100 - 7 - Peak 442 from nnoeabs.peaks (1.44, 9.37, 125.38 ppm; 4.28 A): 1 out of 12 assignments used, quality = 0.95: * HG3 LYS 94 + H VAL 95 OK 95 100 - 95 - 4.9=67, 2.9/4383=34...(12) HG12 ILE 80 - H VAL 95 OK 40 97 - 41 - 3.8/6543=19, 6503/4.0=14...(6) HG3 LYS 63 - H VAL 95 OK 19 99 - 20 - 3849/3.6=4, 2.9/440=3...(8) HG2 LYS 63 - H VAL 95 OK 19 99 - 20 - 3849/3.6=4, 2.9/440=3...(8) HD3 LYS 86 - H VAL 95 OK 14 83 - 17 - 5.1/6875=4, 1.8/440=3...(7) QG2 THR 67 - H VAL 95 OK 11 97 - 11 - 6101/4.0=5, 6058/4.6=4 HG13 ILE 51 - H VAL 95 lone 10 99 - 10 - 4214/4.5=3, 3849/3.6=2 HG3 LYS 61 - H VAL 95 poor 9 83 - 10 - 3849/3.6=2, 3.0/439=1...(5) QB ALA 31 - H VAL 95 poor 8 78 - 10 - 5095/3.9=2, 1035/4.5=2...(4) HG2 LYS 61 - H VAL 95 poor 8 81 - 10 - 3849/3.6=1, 3.0/439=1...(5) HB ILE 51 - H VAL 95 lone 8 90 - 9 - 1035/4.5=2, 3849/3.6=2...(4) HB2 LYS 41 - H VAL 95 lone 3 63 - 5 - 3.0/441=1 Peak 443 from nnoeabs.peaks (1.68, 9.37, 125.38 ppm; 4.48 A): 2 out of 19 assignments used, quality = 0.97: * HD2 LYS 94 + H VAL 95 OK 84 100 - 84 - 3.4/4383=33, 4.7/4382=30...(11) HD3 LYS 94 + H VAL 95 OK 84 100 - 84 - 3.4/4383=33, 4.7/4382=30...(11) QB ALA 79 - H VAL 95 OK 28 98 - 29 - 6475/4.0=16, 6898/4.0=6 HD3 LYS 63 - H VAL 95 OK 24 100 - 24 - 3.9/440=3, 3895/3.6=3...(11) HD2 LYS 61 - H VAL 95 OK 16 100 - 16 - 3895/3.6=3, 3871/4.6=2...(10) HD3 LYS 61 - H VAL 95 OK 16 100 - 16 - 3895/3.6=3, 3871/4.6=2...(10) HD3 LYS 45 - H VAL 95 OK 14 73 - 18 - 2.9/441=3, 3.6/1042=3...(7) HD2 LYS 45 - H VAL 95 OK 12 68 - 18 - 2.9/441=3, 3.6/1042=3...(7) HG3 ARG 57 - H VAL 95 lone 9 100 - 9 - 3.0/6874=3, 3.0/6874=3 HG2 ARG 57 - H VAL 95 lone 9 100 - 9 - 3.0/6874=3, 3.0/6874=3 HD3 LYS 35 - H VAL 95 lone 9 99 - 9 - 1844/4.5=5, 3851/3.6=1 HB3 LYS 61 - H VAL 95 lone 8 85 - 10 - 1.8/439=2, 3.0/442=1, 3.0/442=1 HD2 LYS 44 - H VAL 95 lone 8 100 - 8 - 3905/3.6=1, 3871/4.6=1 HD3 LYS 44 - H VAL 95 lone 8 100 - 8 - 3905/3.6=1, 3871/4.6=1 HB ILE 40 - H VAL 95 lone 6 100 - 6 - 6898/4.0=1 HG12 ILE 27 - H VAL 95 lone 5 85 - 6 - ~4954=2, 6898/4.0=1 HG12 ILE 39 - H VAL 95 lone 3 92 - 3 - HB2 MET 50 - H VAL 95 lone 2 65 - 3 - HD2 LYS 77 - H VAL 95 lone 1 71 - 2 - Peak 444 from nnoeabs.peaks (1.68, 9.37, 125.38 ppm; 4.48 A): 2 out of 19 assignments used, quality = 0.97: HD2 LYS 94 + H VAL 95 OK 84 100 - 84 - 3.4/4383=33, 4.7/4382=30...(11) * HD3 LYS 94 + H VAL 95 OK 84 100 - 84 - 3.4/4383=33, 4.7/4382=30...(11) QB ALA 79 - H VAL 95 OK 28 98 - 29 - 6475/4.0=16, 6898/4.0=6 HD3 LYS 63 - H VAL 95 OK 24 100 - 24 - 3.9/440=3, 3895/3.6=3...(11) HD2 LYS 61 - H VAL 95 OK 16 100 - 16 - 3895/3.6=3, 3871/4.6=2...(10) HD3 LYS 61 - H VAL 95 OK 16 100 - 16 - 3895/3.6=3, 3871/4.6=2...(10) HD3 LYS 45 - H VAL 95 OK 14 73 - 18 - 2.9/441=3, 3.6/1042=3...(7) HD2 LYS 45 - H VAL 95 OK 12 68 - 18 - 2.9/441=3, 3.6/1042=3...(7) HG3 ARG 57 - H VAL 95 lone 9 100 - 9 - 3.0/6874=3, 3.0/6874=3 HG2 ARG 57 - H VAL 95 lone 9 100 - 9 - 3.0/6874=3, 3.0/6874=3 HD3 LYS 35 - H VAL 95 lone 9 99 - 9 - 1844/4.5=5, 3851/3.6=1 HB3 LYS 61 - H VAL 95 lone 8 85 - 10 - 1.8/439=2, 3.0/442=1, 3.0/442=1 HD2 LYS 44 - H VAL 95 lone 8 100 - 8 - 3905/3.6=1, 3871/4.6=1 HD3 LYS 44 - H VAL 95 lone 8 100 - 8 - 3905/3.6=1, 3871/4.6=1 HB ILE 40 - H VAL 95 lone 6 100 - 6 - 6898/4.0=1 HG12 ILE 27 - H VAL 95 lone 5 85 - 6 - ~4954=2, 6898/4.0=1 HG12 ILE 39 - H VAL 95 lone 3 92 - 3 - HB2 MET 50 - H VAL 95 lone 2 65 - 3 - HD2 LYS 77 - H VAL 95 lone 1 71 - 2 - Peak 445 from nnoeabs.peaks (2.98, 9.37, 125.38 ppm; 5.14 A): 2 out of 7 assignments used, quality = 0.96: * HE2 LYS 94 + H VAL 95 OK 80 100 - 80 - 4.9/4383=30, 3.7/4385=24...(8) HE3 LYS 94 + H VAL 95 OK 80 100 - 80 - 4.9/4383=30, 3.7/4385=24...(8) HE2 LYS 63 - H VAL 95 OK 26 100 - 26 - 3853/3.6=5, 3863/4.6=4...(8) HE3 LYS 63 - H VAL 95 OK 26 100 - 26 - 3853/3.6=5, 3863/4.6=4...(8) HE2 LYS 45 - H VAL 95 OK 20 93 - 21 - 3.5/441=4, 3852/3.6=3...(8) HE3 LYS 45 - H VAL 95 OK 20 93 - 21 - 3.5/441=4, 3852/3.6=3...(8) HE3 LYS 61 - H VAL 95 OK 12 76 - 15 - 3852/3.6=2, 3862/4.6=2...(8) Peak 446 from nnoeabs.peaks (2.97, 9.37, 125.38 ppm; 5.14 A): 2 out of 7 assignments used, quality = 0.96: * HE3 LYS 94 + H VAL 95 OK 80 100 - 80 - 4.9/4383=30, 3.7/4385=24...(8) HE2 LYS 94 + H VAL 95 OK 80 100 - 80 - 4.9/4383=30, 3.7/4385=24...(8) HE2 LYS 63 - H VAL 95 OK 26 100 - 26 - 3853/3.6=5, 3863/4.6=4...(8) HE3 LYS 63 - H VAL 95 OK 26 100 - 26 - 3853/3.6=5, 3863/4.6=4...(8) HE2 LYS 45 - H VAL 95 OK 18 87 - 21 - 3.5/441=4, 3852/3.6=3...(8) HE3 LYS 45 - H VAL 95 OK 18 87 - 21 - 3.5/441=4, 3852/3.6=3...(8) HE3 LYS 61 - H VAL 95 OK 10 65 - 15 - 3852/3.6=2, 3862/4.6=2...(8) Peak 447 from nnoeabs.peaks (9.37, 8.93, 119.54 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + H SER 96 OK 100 100 - 100 - 4.6=98, 3.0/4391=35...(9) Peak 448 from nnoeabs.peaks (4.96, 8.93, 119.54 ppm; 2.71 A): 2 out of 4 assignments used, quality = 0.71: * HA VAL 95 + H SER 96 OK 61 100 - 61 - 3.6=44, 3.2/451=12...(5) HA VAL 18 + H SER 96 OK 26 100 - 26 - 3.2/6944=10, 3.6/6936=6...(5) HA ASN 24 - H SER 96 lone 1 92 - 1 - HA ASN 52 - H SER 96 lone 1 68 - 1 - Peak 449 from nnoeabs.peaks (1.95, 8.93, 119.54 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 95 + H SER 96 OK 100 100 - 100 - 4.4=100 Peak 450 from nnoeabs.peaks (1.10, 8.93, 119.54 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.98: * QG2 VAL 95 + H SER 96 OK 97 100 - 97 - 4.2=83, 2.1/451=33...(18) HG LEU 21 + H SER 96 OK 47 100 - 47 - 6954/3.0=11, 2.1/6947=11...(11) QG2 THR 99 - H SER 96 OK 13 87 - 15 - 7029/4.4=8, 4.9/6986=4 Peak 451 from nnoeabs.peaks (0.98, 8.93, 119.54 ppm; 3.19 A): 2 out of 3 assignments used, quality = 0.81: * QG1 VAL 95 + H SER 96 OK 76 100 - 76 - 4.2=43, 3.2/4391=19...(16) QB ALA 66 + H SER 96 OK 19 83 - 23 - 6965/4.6=3, 4671/6931=2...(10) QD1 LEU 62 - H SER 96 lone 7 85 - 8 - 5959/3.6=2, 2.1/6943=1 Peak 453 from nnoeabs.peaks (4.70, 8.89, 119.91 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.84: * HA SER 96 + H PHE 97 OK 84 100 - 84 - 3.6=71, 3.0/455=20...(7) HA LEU 53 - H PHE 97 lone 5 100 - 5 - 4697/4695=2 HA GLN 48 - H PHE 97 lone 4 63 - 6 - 3.8/4198=2, 4.8/4199=2 HA GLU 87 - H PHE 97 lone 2 100 - 2 - HB THR 26 - H PHE 97 lone 2 95 - 2 - HA THR 26 - H PHE 97 lone 2 81 - 2 - Peak 454 from nnoeabs.peaks (4.11, 8.89, 119.91 ppm; 3.25 A): 1 out of 9 assignments used, quality = 0.73: * HB2 SER 96 + H PHE 97 OK 73 100 - 73 - 4.5=37, 1.8/455=29...(8) HA3 GLY 22 - H PHE 97 lone 7 100 - 7 - 6959/4.0=2, 4845/4.5=2 HB THR 67 - H PHE 97 lone 6 99 - 6 - 2.1/6957=2, 6056/4.6=1, ~6080=1 HB THR 15 - H PHE 97 lone 5 78 - 6 - 1274/4.6=3 HA GLN 36 - H PHE 97 lone 4 83 - 5 - 5255/4.5=1 HA GLU 23 - H PHE 97 lone 2 99 - 2 - HA THR 99 - H PHE 97 lone 2 57 - 4 - 6958/4.0=2, 6959/4.0=1 HA3 GLY 38 - H PHE 97 lone 2 65 - 3 - 3.0/1056=2 HA ILE 39 - H PHE 97 lone 1 83 - 1 - Peak 455 from nnoeabs.peaks (3.97, 8.89, 119.91 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.82: * HB3 SER 96 + H PHE 97 OK 82 100 - 82 - 4.5=48, 1.8/4396=32...(7) HA GLU 28 - H PHE 97 lone 4 92 - 4 - HA LYS 44 - H PHE 97 lone 2 68 - 3 - Peak 456 from nnoeabs.peaks (8.89, 8.47, 124.60 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 97 + H ALA 98 OK 100 100 - 100 - 4.6=100 H MET 50 - H ALA 98 OK 11 96 - 11 - 3982/4.4=2, 3974/4.4=2...(4) Peak 457 from nnoeabs.peaks (4.77, 8.47, 124.60 ppm; 2.87 A): 1 out of 3 assignments used, quality = 0.77: * HA PHE 97 + H ALA 98 OK 77 100 - 77 - 3.6=52, 3.0/458=15...(10) HA GLN 19 - H ALA 98 lone 7 98 - 7 - 7000/2.9=1, 4615/6996=1 HA TYR 54 - H ALA 98 lone 5 100 - 4 - 7000/2.9=1 Peak 458 from nnoeabs.peaks (3.19, 8.47, 124.60 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.89: * HB2 PHE 97 + H ALA 98 OK 89 100 - 89 - 4.4=56, 3.0/457=29...(12) HB2 ASP 84 - H ALA 98 lone 10 100 - 10 - 4.5/6641=2, 1051/4.6=1...(4) HD3 ARG 57 - H ALA 98 lone 2 95 - 2 - HD2 ARG 57 - H ALA 98 lone 2 92 - 2 - Peak 459 from nnoeabs.peaks (2.88, 8.47, 124.60 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.97: * HB3 PHE 97 + H ALA 98 OK 97 100 - 97 - 4.4=79, 1.8/458=37...(12) HB3 PHE 88 - H ALA 98 OK 10 96 - 11 - 6719/7018=3, 3.6/6699=2...(4) HB2 ASN 91 - H ALA 98 lone 4 65 - 6 - 3.5/6994=1, 3.5/463=1 HB3 ASN 91 - H ALA 98 lone 4 63 - 6 - 3.5/6994=1, 3.5/463=1 HB2 ASN 24 - H ALA 98 lone 3 65 - 5 - 1.8/7009=1, ~7008=1 Peak 463 from nnoeabs.peaks (7.34, 8.47, 124.60 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.91: * QD PHE 97 + H ALA 98 OK 85 100 - 86 - 4.9=42, 2.4/458=29...(11) H GLY 38 + H ALA 98 OK 28 100 - 27 - 4.6/1135=4, 150/4.6=4...(10) HZ2 TRP 82 + H ALA 98 OK 14 100 - 13 - 4.3/6994=2, ~6990=1...(5) HD21 ASN 91 - H ALA 98 lone 5 78 - 6 - 1.7/6994=2 Peak 464 from nnoeabs.peaks (8.47, 7.81, 119.69 ppm; 4.30 A): 1 out of 9 assignments used, quality = 0.95: * H ALA 98 + H THR 99 OK 95 100 - 95 - 4.6=80, 3.0/465=41...(8) H ASP 72 - H THR 99 OK 15 100 - 15 - 4.1/7019=7, 4.1/7020=6 H THR 15 - H THR 99 OK 10 85 - 12 - 4562/3.6=7, 615/3.0=1 H TRP 82 - H THR 99 poor 9 85 - 11 - 4.4/7020=2, 3.0/465=2...(4) H PHE 83 - H THR 99 lone 7 100 - 7 - 3.6/465=2, 6603/4.0=1 H THR 42 - H THR 99 lone 4 100 - 4 - H LEU 21 - H THR 99 lone 3 99 - 3 - H ASP 71 - H THR 99 lone 1 73 - 2 - H ILE 93 - H THR 99 lone 1 87 - 2 - Peak 465 from nnoeabs.peaks (4.37, 7.81, 119.69 ppm; 2.66 A): 1 out of 9 assignments used, quality = 0.64: * HA ALA 98 + H THR 99 OK 64 100 - 64 - 3.6=41, 2.1/466=20...(9) HA TRP 82 - H THR 99 lone 3 98 - 3 - HA LEU 62 - H THR 99 lone 1 99 - 1 - HA THR 42 - H THR 99 lone 1 98 - 1 - HA PRO 73 - H THR 99 lone 1 71 - 1 - HA LYS 61 - H THR 99 lone 1 85 - 1 - HA SER 29 - H THR 99 lone 0 95 - 0 - HA SER 11 - H THR 99 lone 0 95 - 0 - HB THR 46 - H THR 99 lone 0 81 - 0 - Peak 466 from nnoeabs.peaks (1.27, 7.81, 119.69 ppm; 3.05 A): 1 out of 6 assignments used, quality = 0.83: * QB ALA 98 + H THR 99 OK 83 100 - 83 - 3.6=60, 2.1/465=32...(9) HG3 LYS 35 - H THR 99 lone 6 100 - 6 - 4.9/1088=2, 4.8/5242=2 HG12 ILE 16 - H THR 99 lone 4 76 - 6 - 1059/4.6=2 QG2 THR 26 - H THR 99 lone 2 100 - 2 - HG13 ILE 39 - H THR 99 lone 2 85 - 2 - HG3 LYS 86 - H THR 99 lone 1 89 - 2 - Peak 469 from nnoeabs.peaks (2.53, 7.02, 110.91 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HD21 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 470 from nnoeabs.peaks (2.71, 7.02, 110.91 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HD21 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 471 from nnoeabs.peaks (7.02, 7.02, 110.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD21 ASN 13 OK 100 100 - 100 Peak 472 from nnoeabs.peaks (7.27, 7.02, 110.91 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HD21 ASN 13 OK 100 100 - 100 - 1.7=100 Peak 474 from nnoeabs.peaks (4.62, 7.27, 110.91 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 4.3=100 Peak 475 from nnoeabs.peaks (2.53, 7.27, 110.91 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 476 from nnoeabs.peaks (2.71, 7.27, 110.91 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 477 from nnoeabs.peaks (7.02, 7.27, 110.91 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 1.7=100 Peak 478 from nnoeabs.peaks (7.27, 7.27, 110.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HD22 ASN 13 OK 100 100 - 100 Peak 481 from nnoeabs.peaks (3.49, 7.93, 112.95 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + HD21 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 482 from nnoeabs.peaks (2.52, 7.93, 112.95 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + HD21 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 483 from nnoeabs.peaks (7.93, 7.93, 112.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 14 + HD21 ASN 14 OK 100 100 - 100 Peak 484 from nnoeabs.peaks (7.21, 7.93, 112.95 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 14 + HD21 ASN 14 OK 100 100 - 100 - 1.7=100 Peak 487 from nnoeabs.peaks (3.49, 7.21, 112.95 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + HD22 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 488 from nnoeabs.peaks (2.52, 7.21, 112.95 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + HD22 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 489 from nnoeabs.peaks (7.93, 7.21, 112.95 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 14 + HD22 ASN 14 OK 100 100 - 100 - 1.7=100 Peak 490 from nnoeabs.peaks (7.21, 7.21, 112.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 14 + HD22 ASN 14 OK 100 100 - 100 Peak 492 from nnoeabs.peaks (4.95, 7.00, 113.38 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 493 from nnoeabs.peaks (2.91, 7.00, 113.38 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 494 from nnoeabs.peaks (2.72, 7.00, 113.38 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 495 from nnoeabs.peaks (7.00, 7.00, 113.38 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD21 ASN 24 + HD21 ASN 24 OK 100 100 - 100 HE22 GLN 19 + HE22 GLN 19 OK 75 75 - 100 HE22 GLN 48 + HE22 GLN 48 OK 50 50 - 100 Peak 496 from nnoeabs.peaks (7.63, 7.00, 113.38 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 1.7=100 Peak 498 from nnoeabs.peaks (4.95, 7.63, 113.38 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 499 from nnoeabs.peaks (2.91, 7.63, 113.38 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 500 from nnoeabs.peaks (2.72, 7.63, 113.38 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 501 from nnoeabs.peaks (7.00, 7.63, 113.38 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 1.7=100 Peak 502 from nnoeabs.peaks (7.63, 7.63, 113.38 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 24 + HD22 ASN 24 OK 100 100 - 100 HD21 ASN 43 - HD21 ASN 43 OK 25 25 - 100 Peak 505 from nnoeabs.peaks (3.27, 7.65, 113.88 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 43 + HD21 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 506 from nnoeabs.peaks (2.55, 7.65, 113.88 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 43 + HD21 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 507 from nnoeabs.peaks (7.65, 7.65, 113.88 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 43 + HD21 ASN 43 OK 100 100 - 100 HD22 ASN 24 - HD22 ASN 24 OK 25 25 - 100 Peak 508 from nnoeabs.peaks (7.20, 7.65, 113.88 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 43 + HD21 ASN 43 OK 100 100 - 100 - 1.7=100 Peak 511 from nnoeabs.peaks (3.27, 7.20, 113.88 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 43 + HD22 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 512 from nnoeabs.peaks (2.55, 7.20, 113.88 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 43 + HD22 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 513 from nnoeabs.peaks (7.65, 7.20, 113.88 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 43 + HD22 ASN 43 OK 100 100 - 100 - 1.7=100 Peak 514 from nnoeabs.peaks (7.20, 7.20, 113.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 43 + HD22 ASN 43 OK 100 100 - 100 Peak 515 from nnoeabs.peaks (8.37, 6.99, 111.48 ppm; 5.31 A): 1 out of 5 assignments used, quality = 0.96: * H ASN 52 + HD21 ASN 52 OK 96 100 - 96 - 5.5=88, 521/1.7=32...(6) H LYS 94 - HD21 ASN 52 OK 13 97 - 13 - 4.4/6804=3, 521/1.7=3...(4) H LYS 35 - HD21 ASN 52 OK 13 83 - 15 - 521/1.7=2, 3.5/5172=2...(5) H ASN 24 - HD21 ASN 52 lone 3 71 - 4 - H ASN 14 - HD21 ASN 52 lone 2 71 - 3 - Peak 516 from nnoeabs.peaks (4.93, 6.99, 111.48 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 4.3=100 Peak 517 from nnoeabs.peaks (2.59, 6.99, 111.48 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 3.5=100 HB3 ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 518 from nnoeabs.peaks (2.60, 6.99, 111.48 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 3.5=100 HB2 ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 519 from nnoeabs.peaks (6.99, 6.99, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 52 + HD21 ASN 52 OK 100 100 - 100 Peak 520 from nnoeabs.peaks (6.63, 6.99, 111.48 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 52 + HD21 ASN 52 OK 100 100 - 100 - 1.7=100 Peak 521 from nnoeabs.peaks (8.37, 6.63, 111.48 ppm; 5.44 A): 1 out of 5 assignments used, quality = 0.98: * H ASN 52 + HD22 ASN 52 OK 98 100 - 98 - 5.5=95, 515/1.7=32...(4) H LYS 94 - HD22 ASN 52 lone 9 97 - 9 - 515/1.7=4, 2534/3.5=2 H LYS 35 - HD22 ASN 52 lone 7 83 - 8 - 515/1.7=4 H ASN 24 - HD22 ASN 52 lone 3 71 - 4 - 515/1.7=1 H ASN 14 - HD22 ASN 52 lone 2 71 - 3 - Peak 522 from nnoeabs.peaks (4.93, 6.63, 111.48 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 4.3=100 Peak 523 from nnoeabs.peaks (2.59, 6.63, 111.48 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 3.5=100 HB3 ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 524 from nnoeabs.peaks (2.60, 6.63, 111.48 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 3.5=100 HB2 ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 525 from nnoeabs.peaks (6.99, 6.63, 111.48 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 52 + HD22 ASN 52 OK 100 100 - 100 - 1.7=100 Peak 526 from nnoeabs.peaks (6.63, 6.63, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 52 + HD22 ASN 52 OK 100 100 - 100 Peak 527 from nnoeabs.peaks (7.76, 7.36, 114.75 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.85: * H ASN 91 + HD21 ASN 91 OK 80 100 - 81 - 5.7=50, 533/1.7=28...(7) H LYS 61 + HD21 ASN 91 OK 22 99 - 22 - 533/1.7=8, 1021=7...(7) Peak 528 from nnoeabs.peaks (5.33, 7.36, 114.75 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 91 + HD21 ASN 91 OK 100 100 - 100 - 4.6=100 Peak 529 from nnoeabs.peaks (2.91, 7.36, 114.75 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.96: * HB2 ASN 91 + HD21 ASN 91 OK 81 100 - 81 - 3.5=68, 536/1.7=15...(6) HB3 ASN 91 + HD21 ASN 91 OK 81 100 - 81 - 3.5=68, 536/1.7=15...(6) HB3 PHE 97 - HD21 ASN 91 lone 2 65 - 3 - HB2 ASN 24 - HD21 ASN 91 lone 1 100 - 1 - Peak 530 from nnoeabs.peaks (2.91, 7.36, 114.75 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.96: HB2 ASN 91 + HD21 ASN 91 OK 81 100 - 81 - 3.5=68, 536/1.7=15...(6) * HB3 ASN 91 + HD21 ASN 91 OK 81 100 - 81 - 3.5=68, 536/1.7=15...(6) HB3 PHE 97 - HD21 ASN 91 lone 2 63 - 3 - HB2 ASN 24 - HD21 ASN 91 lone 1 100 - 1 - Peak 531 from nnoeabs.peaks (7.36, 7.36, 114.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 91 + HD21 ASN 91 OK 100 100 - 100 Peak 532 from nnoeabs.peaks (7.03, 7.36, 114.75 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 91 + HD21 ASN 91 OK 100 100 - 100 - 1.7=100 Peak 533 from nnoeabs.peaks (7.76, 7.03, 114.75 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.89: * H ASN 91 + HD22 ASN 91 OK 86 100 - 86 - 5.7=59, 1021/1.7=34...(7) H LYS 61 + HD22 ASN 91 OK 23 99 - 23 - 527/1.7=9, 1022=6...(6) Peak 534 from nnoeabs.peaks (5.33, 7.03, 114.75 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 91 + HD22 ASN 91 OK 100 100 - 100 - 4.6=100 Peak 535 from nnoeabs.peaks (2.91, 7.03, 114.75 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: * HB2 ASN 91 + HD22 ASN 91 OK 93 100 - 93 - 3.5=86, 530/1.7=19...(6) HB3 ASN 91 + HD22 ASN 91 OK 93 100 - 93 - 3.5=86, 530/1.7=19...(6) HB3 PHE 97 - HD22 ASN 91 lone 3 65 - 4 - 1.8/6981=1 HB2 ASN 24 - HD22 ASN 91 lone 2 100 - 1 - Peak 536 from nnoeabs.peaks (2.91, 7.03, 114.75 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ASN 91 + HD22 ASN 91 OK 93 100 - 93 - 3.5=86, 530/1.7=19...(6) HB2 ASN 91 + HD22 ASN 91 OK 93 100 - 93 - 3.5=86, 530/1.7=19...(6) HB3 PHE 97 - HD22 ASN 91 lone 3 63 - 4 - 1.8/6981=1 HB2 ASN 24 - HD22 ASN 91 lone 2 100 - 1 - Peak 537 from nnoeabs.peaks (7.36, 7.03, 114.75 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 91 + HD22 ASN 91 OK 100 100 - 100 - 1.7=100 Peak 538 from nnoeabs.peaks (7.03, 7.03, 114.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 91 + HD22 ASN 91 OK 100 100 - 100 Peak 540 from nnoeabs.peaks (4.76, 7.95, 113.52 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.88: * HA GLN 19 + HE21 GLN 19 OK 88 100 - 88 - 5.6=54, 548/1.7=37...(5) HA PHE 97 - HE21 GLN 19 lone 10 98 - 10 - 548/1.7=4, ~6982=2...(4) HA TYR 54 - HE21 GLN 19 lone 3 95 - 3 - 548/1.7=1 Peak 541 from nnoeabs.peaks (2.11, 7.95, 113.52 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.95: * HB2 GLN 19 + HE21 GLN 19 OK 94 100 - 94 - 4.6=78, 1.8/542=35...(6) HG3 GLU 65 + HE21 GLN 19 OK 14 73 - 20 - 6018/3.5=5, 6007/5.6=5...(7) HB3 LYS 77 - HE21 GLN 19 lone 5 99 - 5 - 549/1.7=1, 3.0/4472=1 HB2 GLN 36 - HE21 GLN 19 lone 2 100 - 2 - HG2 PRO 74 - HE21 GLN 19 lone 2 99 - 2 - HB2 GLU 58 - HE21 GLN 19 lone 1 85 - 1 - Peak 542 from nnoeabs.peaks (1.76, 7.95, 113.52 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.97: * HB3 GLN 19 + HE21 GLN 19 OK 97 100 - 97 - 4.6=90, 1.8/541=33...(6) HG2 LYS 35 - HE21 GLN 19 lone 2 100 - 2 - HD2 LYS 35 - HE21 GLN 19 lone 1 89 - 2 - Peak 543 from nnoeabs.peaks (1.97, 7.95, 113.52 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HE21 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 544 from nnoeabs.peaks (1.65, 7.95, 113.52 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HE21 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 545 from nnoeabs.peaks (7.95, 7.95, 113.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HE21 GLN 19 OK 100 100 - 100 Peak 546 from nnoeabs.peaks (7.01, 7.95, 113.52 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HE21 GLN 19 OK 100 100 - 100 - 1.7=100 Peak 548 from nnoeabs.peaks (4.76, 7.01, 113.52 ppm; 4.12 A): 1 out of 6 assignments used, quality = 0.76: * HA GLN 19 + HE22 GLN 19 OK 76 100 - 77 - 5.6=40, 540/1.7=29...(5) HA PHE 97 - HE22 GLN 19 lone 9 98 - 9 - 540/1.7=3, 3.0/6982=2 HA TYR 54 - HE22 GLN 19 lone 2 95 - 3 - HA PHE 97 - HD21 ASN 24 lone 1 81 - 2 - HA GLN 19 - HD21 ASN 24 lone 1 86 - 1 - HA TYR 54 - HD21 ASN 24 lone 1 77 - 1 - Peak 549 from nnoeabs.peaks (2.11, 7.01, 113.52 ppm; 4.55 A): 1 out of 12 assignments used, quality = 0.99: * HB2 GLN 19 + HE22 GLN 19 OK 99 100 - 99 - 4.6=95, 541/1.7=34...(6) HG3 GLU 65 - HE22 GLN 19 OK 18 73 - 25 - 6018/3.5=6, 6007/5.6=5...(9) HB3 LYS 77 - HE22 GLN 19 lone 5 99 - 5 - 541/1.7=2, ~4472=1 HB2 GLN 36 - HD21 ASN 24 lone 5 85 - 5 - HB2 GLN 36 - HE22 GLN 19 lone 4 100 - 4 - HG2 PRO 74 - HE22 GLN 19 lone 2 99 - 2 - HG2 PRO 74 - HD21 ASN 24 lone 2 83 - 2 - HB2 GLU 58 - HE22 GLN 19 lone 1 85 - 2 - HB2 GLN 19 - HD21 ASN 24 lone 1 86 - 2 - HB3 LYS 77 - HD21 ASN 24 lone 1 84 - 1 - HB2 GLU 58 - HD21 ASN 24 lone 1 67 - 1 - HG3 GLU 65 - HD21 ASN 24 lone 1 56 - 1 - Peak 550 from nnoeabs.peaks (1.76, 7.01, 113.52 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HE22 GLN 19 OK 100 100 - 100 - 4.6=100 Peak 551 from nnoeabs.peaks (1.97, 7.01, 113.52 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HE22 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 552 from nnoeabs.peaks (1.65, 7.01, 113.52 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HE22 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 553 from nnoeabs.peaks (7.95, 7.01, 113.52 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HE22 GLN 19 OK 100 100 - 100 - 1.7=100 Peak 554 from nnoeabs.peaks (7.01, 7.01, 113.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 19 + HE22 GLN 19 OK 100 100 - 100 HD21 ASN 24 + HD21 ASN 24 OK 75 75 - 100 Peak 557 from nnoeabs.peaks (2.11, 6.78, 111.84 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 36 + HE21 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 558 from nnoeabs.peaks (2.01, 6.78, 111.84 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 36 + HE21 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 559 from nnoeabs.peaks (2.42, 6.78, 111.84 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HE21 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 560 from nnoeabs.peaks (2.30, 6.78, 111.84 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 36 + HE21 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 561 from nnoeabs.peaks (6.78, 6.78, 111.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 36 + HE21 GLN 36 OK 100 100 - 100 Peak 562 from nnoeabs.peaks (7.63, 6.78, 111.84 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HE21 GLN 36 OK 100 100 - 100 - 1.7=100 Peak 563 from nnoeabs.peaks (7.50, 7.63, 111.84 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.96: * H GLN 36 + HE22 GLN 36 OK 91 100 - 91 - 6.7=45, 738/3.5=40...(8) H TYR 33 + HE22 GLN 36 OK 54 73 - 73 - 3.0/5153=35, 4.5/7173=27...(8) Peak 565 from nnoeabs.peaks (2.11, 7.63, 111.84 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 36 + HE22 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 566 from nnoeabs.peaks (2.01, 7.63, 111.84 ppm; 4.30 A): 1 out of 7 assignments used, quality = 0.89: * HB3 GLN 36 + HE22 GLN 36 OK 89 100 - 89 - 4.6=83, 4.0/741=21...(6) HB VAL 25 - HE22 GLN 36 lone 3 78 - 4 - 4806/7170=1 HB2 GLU 23 - HE22 GLN 36 lone 2 97 - 2 - HG2 PRO 49 - HE22 GLN 36 lone 2 96 - 2 - HG2 PRO 92 - HE22 GLN 36 lone 1 97 - 1 - HB3 MET 50 - HE22 GLN 36 lone 1 95 - 1 - QE MET 50 - HE22 GLN 36 lone 1 89 - 1 - Peak 567 from nnoeabs.peaks (2.42, 7.63, 111.84 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HE22 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 568 from nnoeabs.peaks (2.30, 7.63, 111.84 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 36 + HE22 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 569 from nnoeabs.peaks (6.78, 7.63, 111.84 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 36 + HE22 GLN 36 OK 100 100 - 100 - 1.7=100 Peak 570 from nnoeabs.peaks (7.63, 7.63, 111.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HE22 GLN 36 OK 100 100 - 100 Peak 571 from nnoeabs.peaks (7.66, 7.58, 113.03 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.92: * H GLN 48 + HE21 GLN 48 OK 91 100 - 91 - 807/3.5=36, 808/3.5=34...(9) HD21 ASN 43 + HE21 GLN 48 OK 19 99 - 20 - 2387/3.5=7, 2363/4.6=7 HE22 GLN 36 - HE21 GLN 48 poor 7 65 - 10 - ~7172=4, 7171/1.7=3...(4) H TYR 54 - HE21 GLN 48 lone 5 93 - 5 - 2379/3.5=1, 2387/3.5=1 H SER 69 - HE21 GLN 48 lone 5 78 - 6 - 2379/3.5=1, 2387/3.5=1 HD22 ASN 24 - HE21 GLN 48 lone 1 68 - 2 - Peak 572 from nnoeabs.peaks (4.67, 7.58, 113.03 ppm; 4.85 A): 2 out of 5 assignments used, quality = 0.91: * HA GLN 48 + HE21 GLN 48 OK 90 100 - 90 - 5.9=56, 580/1.7=32...(8) HA PHE 83 + HE21 GLN 48 OK 13 98 - 13 - 580/1.7=3, ~6589=2...(4) HA PRO 92 - HE21 GLN 48 lone 4 95 - 4 - 580/1.7=1 HB THR 26 - HE21 GLN 48 lone 3 92 - 4 - 580/1.7=2 HA SER 96 - HE21 GLN 48 lone 3 63 - 5 - Peak 574 from nnoeabs.peaks (2.19, 7.58, 113.03 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HE21 GLN 48 OK 100 100 - 100 - 4.6=100 Peak 575 from nnoeabs.peaks (2.34, 7.58, 113.03 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HE21 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 576 from nnoeabs.peaks (2.41, 7.58, 113.03 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HE21 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 577 from nnoeabs.peaks (7.58, 7.58, 113.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 48 + HE21 GLN 48 OK 100 100 - 100 Peak 578 from nnoeabs.peaks (6.98, 7.58, 113.03 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 48 + HE21 GLN 48 OK 100 100 - 100 - 1.7=100 Peak 579 from nnoeabs.peaks (7.66, 6.98, 113.03 ppm; 3.65 A): 0 out of 1 assignment used, low quality = 0.34: HD22 ASN 24 - HD21 ASN 24 OK 34 34 - 100 - 1.7=100 Reference assignment not found: H GLN 48 - HE22 GLN 48 Peak 580 from nnoeabs.peaks (4.67, 6.98, 113.03 ppm; 4.76 A): 1 out of 10 assignments used, quality = 0.88: * HA GLN 48 + HE22 GLN 48 OK 88 100 - 88 - 5.9=53, 572/1.7=31...(8) HA PHE 83 - HE22 GLN 48 lone 9 98 - 9 - 572/1.7=5, 3.0/6589=2, ~982=1 HB THR 26 - HE22 GLN 48 lone 5 92 - 5 - 4.0/4925=2, 572/1.7=1 HA PRO 92 - HE22 GLN 48 lone 3 95 - 3 - 572/1.7=1 HA SER 96 - HE22 GLN 48 lone 2 63 - 4 - 572/1.7=1 HB THR 26 - HD21 ASN 24 lone 1 51 - 3 - 4.0/4925=1 HA PHE 83 - HD21 ASN 24 lone 1 57 - 2 - HA GLN 48 - HD21 ASN 24 lone 1 61 - 2 - HA SER 96 - HD21 ASN 24 lone 1 31 - 3 - HA PRO 92 - HD21 ASN 24 lone 1 53 - 1 - Peak 583 from nnoeabs.peaks (2.34, 6.98, 113.03 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HE22 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 584 from nnoeabs.peaks (2.41, 6.98, 113.03 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HE22 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 585 from nnoeabs.peaks (7.58, 6.98, 113.03 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 48 + HE22 GLN 48 OK 100 100 - 100 - 1.7=100 Peak 586 from nnoeabs.peaks (6.98, 6.98, 113.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 48 + HE22 GLN 48 OK 100 100 - 100 HD21 ASN 24 + HD21 ASN 24 OK 50 50 - 100 Peak 591 from nnoeabs.peaks (5.26, 9.78, 127.96 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HE1 TRP 82 OK 100 100 - 100 - 2.6=100 Peak 593 from nnoeabs.peaks (9.78, 9.78, 127.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 82 + HE1 TRP 82 OK 100 100 - 100 Peak 595 from nnoeabs.peaks (7.34, 9.78, 127.96 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HE1 TRP 82 OK 100 100 - 100 - 2.8=100 Peak 596 from nnoeabs.peaks (7.14, 9.78, 127.96 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.87: * HH2 TRP 82 + HE1 TRP 82 OK 87 100 - 87 - 5.0=78, ~4598=18...(4) QD PHE 17 - HE1 TRP 82 lone 4 65 - 6 - 2.2/6566=2, ~7163=2 H GLU 65 - HE1 TRP 82 lone 1 97 - 1 - HZ PHE 97 - HE1 TRP 82 lone 1 90 - 1 - Peak 597 from nnoeabs.peaks (8.23, 8.23, 121.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + H ASP 12 OK 100 100 - 100 Peak 598 from nnoeabs.peaks (4.60, 8.23, 121.37 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + H ASP 12 OK 100 100 - 100 - 3.0=100 Peak 599 from nnoeabs.peaks (2.67, 8.23, 121.37 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 12 + H ASP 12 OK 100 100 - 100 - 4.0=100 Peak 600 from nnoeabs.peaks (2.62, 8.23, 121.37 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 12 + H ASP 12 OK 100 100 - 100 - 4.0=100 Peak 601 from nnoeabs.peaks (8.09, 8.09, 119.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + H ASN 13 OK 100 100 - 100 Peak 603 from nnoeabs.peaks (2.53, 8.09, 119.08 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + H ASN 13 OK 100 100 - 100 - 4.0=100 Peak 604 from nnoeabs.peaks (2.71, 8.09, 119.08 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + H ASN 13 OK 100 100 - 100 - 4.0=100 Peak 607 from nnoeabs.peaks (8.39, 8.39, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 14 + H ASN 14 OK 100 100 - 100 Peak 608 from nnoeabs.peaks (4.90, 8.39, 118.50 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 14 + H ASN 14 OK 100 100 - 100 - 3.0=100 Peak 609 from nnoeabs.peaks (3.49, 8.39, 118.50 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + H ASN 14 OK 100 100 - 100 - 4.0=100 Peak 610 from nnoeabs.peaks (2.52, 8.39, 118.50 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + H ASN 14 OK 100 100 - 100 - 4.0=100 Peak 613 from nnoeabs.peaks (8.46, 8.46, 118.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 15 + H THR 15 OK 100 100 - 100 H THR 42 + H THR 42 OK 51 51 - 100 Peak 614 from nnoeabs.peaks (5.54, 8.46, 118.65 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + H THR 15 OK 100 100 - 100 - 3.0=100 Peak 615 from nnoeabs.peaks (4.13, 8.46, 118.65 ppm; 3.32 A): 2 out of 18 assignments used, quality = 0.78: * HB THR 15 + H THR 15 OK 74 100 - 74 - 3.8=65, 2.1/616=13...(6) HB THR 67 + H THR 15 OK 14 60 - 23 - ~6082=10, 6094/4.0=5...(5) HA THR 99 - H THR 15 lone 6 99 - 6 - 7030/4562=1, 4538/4.6=1 HA GLU 23 - H THR 15 lone 4 90 - 4 - 4538/4.6=2 HA VAL 25 - H THR 15 lone 4 85 - 4 - HA3 GLY 22 - H THR 15 lone 4 78 - 5 - 4538/4.6=2, 3.0/56=1 HA GLN 36 - H THR 15 lone 3 100 - 3 - HB THR 15 - H THR 42 lone 3 62 - 4 - 1274=1 HB2 SER 96 - H THR 15 lone 2 78 - 3 - HA ALA 78 - H THR 15 lone 2 68 - 3 - 4538/4.6=1 HB THR 67 - H THR 42 lone 1 30 - 4 - ~6079=1, 6055/4.6=1 HB2 SER 96 - H THR 42 lone 1 42 - 3 - 4.5/1134=2 HA GLN 36 - H THR 42 lone 1 62 - 2 - HA ALA 78 - H THR 42 lone 1 35 - 3 - 2.1/178=1 HA THR 99 - H THR 42 lone 1 59 - 2 - HA GLU 23 - H THR 42 lone 1 51 - 2 - HA3 GLY 22 - H THR 42 lone 1 42 - 2 - HA VAL 25 - H THR 42 lone 0 46 - 1 - Peak 616 from nnoeabs.peaks (1.16, 8.46, 118.65 ppm; 3.93 A): 1 out of 12 assignments used, quality = 0.98: * QG2 THR 15 + H THR 15 OK 98 100 - 98 - 4.0=96, 2.1/615=25...(7) HB2 LEU 21 - H THR 15 OK 25 100 - 25 - ~4791=4, 24/4.6=3...(10) HB3 LEU 21 - H THR 15 OK 25 100 - 25 - ~4791=4, 24/4.6=3...(10) HG13 ILE 27 - H THR 15 lone 10 100 - 10 - 4097/4.6=4, 1595/4.6=1 HG13 ILE 37 - H THR 15 lone 8 78 - 10 - 24/4.6=1, ~4622=1 QG2 THR 15 - H THR 42 lone 6 62 - 10 - 4046/4.6=3, 4.1/21=1...(4) HB2 LEU 21 - H THR 42 lone 4 62 - 7 - 3.1/1473=1, 3.1/1466=1 HB3 LEU 21 - H THR 42 lone 4 62 - 7 - 3.1/1473=1, 3.1/1466=1 HG13 ILE 27 - H THR 42 lone 4 61 - 7 - 4097/4.6=3 HG13 ILE 37 - H THR 42 lone 2 42 - 5 - QG2 THR 46 - H THR 15 lone 1 63 - 1 - QG2 THR 46 - H THR 42 lone 0 32 - 1 - Peak 617 from nnoeabs.peaks (8.81, 8.81, 118.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 16 + H ILE 16 OK 100 100 - 100 Peak 618 from nnoeabs.peaks (5.18, 8.81, 118.72 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + H ILE 16 OK 100 100 - 100 - 3.0=100 Peak 619 from nnoeabs.peaks (1.86, 8.81, 118.72 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 16 + H ILE 16 OK 100 100 - 100 - 4.0=100 Peak 620 from nnoeabs.peaks (0.83, 8.81, 118.72 ppm; 3.43 A): 3 out of 8 assignments used, quality = 0.92: * QG2 ILE 16 + H ILE 16 OK 88 100 - 88 - 4.0=63, 3.2/622=22...(14) QG2 ILE 80 + H ILE 16 OK 21 93 - 22 - ~6533=6, ~4580=5...(6) QG2 ILE 40 + H ILE 16 OK 20 93 - 22 - 5451/4572=7, 4564/3.6=2...(7) QG2 ILE 37 - H ILE 16 OK 18 85 - 21 - 3.2/7169=4, 1296=3...(8) QG1 VAL 30 - H ILE 16 OK 16 97 - 17 - 5110/4572=4, 3.9/1142=2...(6) QG2 VAL 30 - H ILE 16 OK 12 89 - 13 - 3.9/1142=2, 4564/3.6=1...(5) QG2 VAL 25 - H ILE 16 OK 10 96 - 11 - 5110/4572=1, 4564/3.6=1 QD2 LEU 62 - H ILE 16 lone 7 99 - 7 - Peak 621 from nnoeabs.peaks (1.29, 8.81, 118.72 ppm; 3.22 A): 3 out of 5 assignments used, quality = 0.90: * HG12 ILE 16 + H ILE 16 OK 80 100 - 80 - 4.6=34, 1.8/622=28...(14) QB ALA 98 + H ILE 16 OK 43 76 - 57 - 7001/3.0=11, 4569/4.1=9...(14) QG2 THR 26 + H ILE 16 OK 10 73 - 14 - 4.0/1079=3, 4918=3...(5) HG13 ILE 39 - H ILE 16 lone 9 100 - 9 - 4565/3.6=2, 4569/4.1=1...(4) HG3 LYS 35 - H ILE 16 lone 5 76 - 6 - 4568/4.4=1, 4569/4.1=1 Peak 622 from nnoeabs.peaks (1.22, 8.81, 118.72 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.81: * HG13 ILE 16 + H ILE 16 OK 81 100 - 81 - 4.6=39, 2.1/623=22...(13) HB3 LYS 41 - H ILE 16 poor 9 76 - 12 - 1.8/4576=2, 3.8/4577=2...(6) QG2 THR 59 - H ILE 16 lone 4 100 - 4 - Peak 623 from nnoeabs.peaks (0.26, 8.81, 118.72 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.91: * QD1 ILE 16 + H ILE 16 OK 88 100 - 88 - 5.0=41, 2.1/622=33...(14) QD1 LEU 21 + H ILE 16 OK 29 71 - 41 - ~4580=6, 1302/4.0=6...(13) Peak 624 from nnoeabs.peaks (9.54, 9.54, 123.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + H PHE 17 OK 100 100 - 100 Peak 625 from nnoeabs.peaks (5.41, 9.54, 123.74 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 17 + H PHE 17 OK 100 100 - 100 - 2.9=100 Peak 626 from nnoeabs.peaks (2.82, 9.54, 123.74 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.92: * HB2 PHE 17 + H PHE 17 OK 90 100 - 90 - 4.0=78, 1.8/627=25...(10) HB2 ASP 72 + H PHE 17 OK 14 100 - 14 - 1.8/627=4, 7007/6987=2...(5) HB2 TYR 54 - H PHE 17 lone 9 99 - 9 - 3.0/4655=3, 6088/6059=2 HB3 TYR 33 - H PHE 17 lone 3 100 - 3 - Peak 627 from nnoeabs.peaks (2.71, 9.54, 123.74 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.99: * HB3 PHE 17 + H PHE 17 OK 99 100 - 99 - 4.0=97, 1.8/1332=38...(10) HB3 ASP 72 - H PHE 17 OK 16 98 - 16 - 1.8/626=5, 3130/6983=2...(7) HB3 ASN 13 - H PHE 17 lone 8 100 - 8 - 7008/6987=2, 7009/6983=2 HB2 ASP 81 - H PHE 17 lone 5 99 - 5 - 4.4/4649=1 HB3 ASN 24 - H PHE 17 lone 3 96 - 3 - Peak 631 from nnoeabs.peaks (7.11, 9.54, 123.74 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 17 + H PHE 17 OK 100 100 - 100 - 4.5=100 Peak 632 from nnoeabs.peaks (8.94, 8.94, 127.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 18 + H VAL 18 OK 100 100 - 100 Peak 633 from nnoeabs.peaks (4.96, 8.94, 127.85 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + H VAL 18 OK 100 100 - 100 - 3.0=100 Peak 634 from nnoeabs.peaks (1.64, 8.94, 127.85 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.85: * HB VAL 18 + H VAL 18 OK 81 100 - 81 - 3.9=54, 2.1/636=32...(10) HG3 GLN 19 + H VAL 18 OK 24 97 - 25 - 1424/4.7=9, 4744/4.5=8...(5) HG12 ILE 40 - H VAL 18 lone 6 100 - 6 - 42/4.7=1 HG12 ILE 27 - H VAL 18 lone 5 81 - 6 - 2.1/4708=2, ~4954=1 HB3 LYS 61 - H VAL 18 lone 5 81 - 6 - 4792/4.5=1, 4664/3.6=1 HD3 LYS 41 - H VAL 18 lone 3 97 - 3 - HD2 LYS 41 - H VAL 18 lone 3 97 - 3 - HB2 MET 50 - H VAL 18 lone 3 95 - 3 - Peak 635 from nnoeabs.peaks (0.87, 8.94, 127.85 ppm; 3.70 A): 1 out of 8 assignments used, quality = 0.95: * QG1 VAL 18 + H VAL 18 OK 95 100 - 95 - 3.9=84, 2.1/636=40...(10) QD1 ILE 51 - H VAL 18 OK 18 100 - 18 - 5708/4.7=3, 3.2/4711=3...(8) QG2 ILE 80 - H VAL 18 poor 8 68 - 11 - 3.2/4711=2, 4669/3.6=2...(5) QG2 VAL 30 - H VAL 18 lone 7 76 - 9 - 43/4.7=2, 5107/4707=1 QG2 ILE 37 - H VAL 18 lone 4 81 - 6 - 4669/3.6=1 QG1 VAL 30 - H VAL 18 lone 4 60 - 7 - 43/4.7=1 QG2 ILE 39 - H VAL 18 lone 4 90 - 4 - 4152/4.7=2 QG2 THR 42 - H VAL 18 lone 3 100 - 3 - Peak 636 from nnoeabs.peaks (0.67, 8.94, 127.85 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.83: * QG2 VAL 18 + H VAL 18 OK 83 100 - 83 - 3.9=53, 2.1/634=20...(17) Peak 637 from nnoeabs.peaks (8.72, 8.72, 122.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + H GLN 19 OK 100 100 - 100 Peak 638 from nnoeabs.peaks (4.76, 8.72, 122.18 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + H GLN 19 OK 100 100 - 100 - 2.9=100 Peak 639 from nnoeabs.peaks (2.11, 8.72, 122.18 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.96: * HB2 GLN 19 + H GLN 19 OK 96 100 - 96 - 4.0=85, 1.8/640=40...(10) HG3 GLU 65 - H GLN 19 OK 23 73 - 31 - 6007/2.9=7, 3.0/641=6...(10) HB3 LYS 77 - H GLN 19 lone 8 99 - 8 - 1.8/641=2, 6421/4729=2 HB2 GLN 36 - H GLN 19 lone 4 100 - 4 - HG2 PRO 74 - H GLN 19 lone 3 99 - 2 - HB2 GLU 58 - H GLN 19 lone 1 85 - 2 - Peak 640 from nnoeabs.peaks (1.76, 8.72, 122.18 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.80: * HB3 GLN 19 + H GLN 19 OK 80 100 - 80 - 4.0=54, 1.8/639=20...(10) HG2 LYS 35 - H GLN 19 lone 4 100 - 4 - 4.8/4745=2, 1814/6868=1 HD2 LYS 35 - H GLN 19 lone 3 89 - 3 - Peak 641 from nnoeabs.peaks (1.97, 8.72, 122.18 ppm; 3.95 A): 3 out of 11 assignments used, quality = 0.91: * HG2 GLN 19 + H GLN 19 OK 81 100 - 81 - 5.2=44, 3.0/640=33...(6) HB2 GLU 65 + H GLN 19 OK 38 100 - 38 - ~7138=11, ~6005=8...(8) HB VAL 95 + H GLN 19 OK 24 60 - 41 - 2.1/6929=21, 4.4/6936=13...(4) HB3 GLU 28 - H GLN 19 lone 10 100 - 10 - 4.4/1071=3, 4101/4.6=3 HB2 LYS 77 - H GLN 19 lone 8 100 - 8 - 1.8/639=2 HB VAL 25 - H GLN 19 lone 6 87 - 7 - 4908/4728=2, 49/4.6=1 HG2 PRO 49 - H GLN 19 lone 3 63 - 5 - 2.3/4731=1 HG3 PRO 74 - H GLN 19 lone 3 98 - 3 - HB2 LYS 45 - H GLN 19 lone 1 71 - 2 - HB3 LYS 45 - H GLN 19 lone 1 71 - 2 - HG3 PRO 73 - H GLN 19 lone 1 71 - 1 - Peak 642 from nnoeabs.peaks (1.65, 8.72, 122.18 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.95: HB VAL 18 + H GLN 19 OK 84 97 - 87 - 4.3=54, 2.1/44=32...(11) * HG3 GLN 19 + H GLN 19 OK 68 100 - 68 - 5.2=31, 3.0/640=27...(6) HG12 ILE 40 - H GLN 19 OK 15 99 - 15 - 2025=3, 2.1/2039=3...(5) QB ALA 79 - H GLN 19 OK 13 81 - 17 - 6492/4.1=11, 6495/4729=1 HG12 ILE 27 - H GLN 19 lone 7 97 - 7 - 3.8/4410=2, 3.2/4930=1 HB2 MET 50 - H GLN 19 lone 3 100 - 3 - 50/4.6=1 HB3 LYS 61 - H GLN 19 lone 2 97 - 2 - HD2 LYS 41 - H GLN 19 lone 1 81 - 1 - HD3 LYS 41 - H GLN 19 lone 1 81 - 1 - Peak 645 from nnoeabs.peaks (8.21, 8.21, 109.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 20 + H GLY 20 OK 100 100 - 100 Peak 646 from nnoeabs.peaks (3.74, 8.21, 109.03 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 20 + H GLY 20 OK 100 100 - 100 - 2.9=100 Peak 647 from nnoeabs.peaks (4.53, 8.21, 109.03 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 20 + H GLY 20 OK 100 100 - 100 - 2.9=100 Peak 648 from nnoeabs.peaks (8.47, 8.47, 117.63 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H LEU 21 + H LEU 21 OK 100 100 - 100 H ILE 93 - H ILE 93 OK 45 45 - 100 Peak 649 from nnoeabs.peaks (3.69, 8.47, 117.63 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 21 + H LEU 21 OK 100 100 - 100 - 2.9=100 Peak 650 from nnoeabs.peaks (1.16, 8.47, 117.63 ppm; 3.15 A): 2 out of 12 assignments used, quality = 0.95: * HB2 LEU 21 + H LEU 21 OK 77 100 - 77 - 4.0=49, 3.0/652=13...(13) HB3 LEU 21 + H LEU 21 OK 77 100 - 77 - 4.0=49, 3.0/652=13...(13) QG2 THR 15 - H LEU 21 OK 11 100 - 11 - 3.2/4797=3, 2.1/1274=2...(5) HB2 LEU 21 - H ILE 93 OK 11 51 - 21 - 3.0/1459=4, 3.1/1473=4...(7) HB3 LEU 21 - H ILE 93 OK 10 50 - 21 - 3.0/1459=4, 3.1/1473=4...(7) HG13 ILE 37 - H LEU 21 lone 5 78 - 6 - HG13 ILE 27 - H LEU 21 lone 5 100 - 5 - 1475/4.7=1 HG13 ILE 27 - H ILE 93 lone 1 50 - 2 - QG2 THR 15 - H ILE 93 lone 1 51 - 2 - HG13 ILE 37 - H ILE 93 lone 1 33 - 2 - QG2 THR 46 - H LEU 21 lone 0 63 - 1 - QG2 THR 46 - H ILE 93 lone 0 25 - 1 - Peak 651 from nnoeabs.peaks (1.15, 8.47, 117.63 ppm; 3.05 A): 3 out of 12 assignments used, quality = 0.94: * HB3 LEU 21 + H LEU 21 OK 73 100 - 73 - 4.0=45, 3.0/652=12...(13) HB2 LEU 21 + H LEU 21 OK 73 100 - 73 - 4.0=45, 3.0/652=12...(13) QG2 THR 15 + H LEU 21 OK 11 100 - 11 - 3.2/4797=3, 2.1/1274=2...(4) HB3 LEU 21 - H ILE 93 poor 10 51 - 19 - 3.0/1459=4, 3.1/1473=3...(7) HB2 LEU 21 - H ILE 93 poor 10 50 - 19 - 3.0/1459=4, 3.1/1473=3...(7) HG13 ILE 27 - H LEU 21 lone 4 99 - 4 - 1475/4.7=1 HG13 ILE 37 - H LEU 21 lone 4 73 - 6 - HG13 ILE 27 - H ILE 93 lone 1 49 - 2 - QG2 THR 15 - H ILE 93 lone 1 50 - 2 - HG13 ILE 37 - H ILE 93 lone 0 31 - 2 - QG2 THR 46 - H LEU 21 lone 0 68 - 1 - QG2 THR 46 - H ILE 93 lone 0 28 - 1 - Peak 652 from nnoeabs.peaks (1.10, 8.47, 117.63 ppm; 3.08 A): 4 out of 8 assignments used, quality = 0.87: * HG LEU 21 + H LEU 21 OK 73 100 - 73 - 5.2=21, 1442/2.9=17...(12) QG2 VAL 95 + H LEU 21 OK 26 100 - 26 - 1442/2.9=5, 6914/4.7=4...(6) HG LEU 21 + H ILE 93 OK 21 51 - 41 - 6846/4.0=7, 6845/4.0=6...(11) QG2 VAL 95 + H ILE 93 OK 19 50 - 38 - 6906/5.0=7, 6845/4.0=6...(8) QG2 THR 99 - H LEU 21 lone 2 78 - 3 - QG2 THR 46 - H LEU 21 lone 1 65 - 1 - QG2 THR 99 - H ILE 93 lone 1 33 - 2 - QG2 THR 46 - H ILE 93 lone 1 27 - 2 - Peak 653 from nnoeabs.peaks (-0.19, 8.47, 117.63 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.96: * QD2 LEU 21 + H LEU 21 OK 93 100 - 93 - 4.7=55, 1443/2.9=29...(16) QD1 ILE 80 + H LEU 21 OK 42 99 - 43 - 1443/2.9=8, 6506/4.7=6...(14) QD2 LEU 21 - H ILE 93 OK 32 51 - 64 - 6848/4.0=20, 6843/4.0=12...(14) QD1 ILE 80 - H ILE 93 OK 14 48 - 28 - 6848/4.0=7, 6850/5.0=6...(5) Peak 654 from nnoeabs.peaks (0.28, 8.47, 117.63 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.94: * QD1 LEU 21 + H LEU 21 OK 92 100 - 92 - 4.7=50, 2.1/652=21...(19) QD1 LEU 21 + H ILE 93 OK 25 51 - 50 - 6847/4.0=11, 1473=9...(12) QG2 VAL 68 - H LEU 21 OK 23 93 - 24 - 4750/4.6=4, 62/4.6=4...(6) QD1 ILE 16 - H LEU 21 OK 18 71 - 26 - 4597/4.7=4, 4600/5.2=3...(10) QG2 VAL 68 - H ILE 93 poor 8 43 - 18 - 6847/4.0=6, 6849/5.0=3 QD1 ILE 16 - H ILE 93 poor 3 29 - 10 - 6849/5.0=3, 6909/6927=1 Peak 655 from nnoeabs.peaks (8.00, 8.00, 104.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 22 + H GLY 22 OK 100 100 - 100 Peak 656 from nnoeabs.peaks (3.77, 8.00, 104.72 ppm; 2.86 A): 1 out of 8 assignments used, quality = 0.93: * HA2 GLY 22 + H GLY 22 OK 93 100 - 93 - 3.0=91, 3.6/63=11...(4) HA ILE 40 - H GLY 22 lone 9 90 - 10 - 3.2/4826=2, 4.2/5399=2, 64/4.6=1 HA LYS 77 - H GLY 22 lone 5 90 - 6 - 6420/61=1, 6420/61=1 HA VAL 30 - H GLY 22 lone 4 60 - 7 - HD2 PRO 92 - H GLY 22 lone 1 87 - 2 - HA2 GLY 60 - H GLY 22 lone 1 98 - 1 - HB3 SER 11 - H GLY 22 lone 1 95 - 1 - HA SER 89 - H GLY 22 lone 1 71 - 1 - Peak 657 from nnoeabs.peaks (4.11, 8.00, 104.72 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 22 + H GLY 22 OK 100 100 - 100 - 3.0=100 Peak 658 from nnoeabs.peaks (8.11, 8.11, 113.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 23 + H GLU 23 OK 100 100 - 100 Peak 659 from nnoeabs.peaks (4.11, 8.11, 113.44 ppm; 2.79 A): 2 out of 8 assignments used, quality = 0.98: * HA GLU 23 + H GLU 23 OK 93 100 - 93 - 3.0=84, 3.0/661=17...(9) HA3 GLY 22 + H GLU 23 OK 69 99 - 70 - 3.6=48, 1.8/64=21...(8) HA ILE 39 - H GLU 23 OK 11 68 - 16 - 3.0/1969=3, 3.2/1976=3...(6) HA GLN 36 - H GLU 23 lone 2 93 - 2 - HB THR 67 - H GLU 23 lone 2 95 - 2 - HB THR 15 - H GLU 23 lone 1 90 - 1 - HB2 SER 96 - H GLU 23 lone 0 99 - 0 - HA THR 99 - H GLU 23 lone 0 73 - 0 - Peak 660 from nnoeabs.peaks (2.00, 8.11, 113.44 ppm; 3.11 A): 2 out of 11 assignments used, quality = 0.89: * HB2 GLU 23 + H GLU 23 OK 85 100 - 85 - 4.0=46, 1.8/661=29...(13) HB VAL 25 + H GLU 23 OK 23 96 - 25 - 4.0/4851=7, 2.1/4859=5...(7) HB2 LYS 77 - H GLU 23 lone 4 65 - 6 - 3.0/64=2, 3.7/1179=1 HG2 PRO 49 - H GLU 23 lone 4 100 - 4 - 4833/3.6=1 HB3 GLN 36 - H GLU 23 lone 3 97 - 3 - HB3 GLU 28 - H GLU 23 lone 3 65 - 4 - 1.8/661=1 HB3 MET 50 - H GLU 23 lone 2 76 - 3 - HG2 PRO 92 - H GLU 23 lone 1 81 - 2 - QE MET 50 - H GLU 23 lone 1 65 - 2 - HG3 PRO 74 - H GLU 23 lone 1 81 - 1 - HB2 GLU 65 - H GLU 23 lone 1 63 - 1 - Peak 661 from nnoeabs.peaks (2.06, 8.11, 113.44 ppm; 3.22 A): 1 out of 5 assignments used, quality = 0.86: * HB3 GLU 23 + H GLU 23 OK 86 100 - 86 - 4.0=52, 1.8/660=24...(12) HB2 LYS 35 - H GLU 23 lone 5 97 - 5 - 5243/4.6=1 HB2 GLU 28 - H GLU 23 lone 3 89 - 3 - 3.0/663=1 HB2 LYS 86 - H GLU 23 lone 1 98 - 1 - QE MET 50 - H GLU 23 lone 1 63 - 2 - Peak 662 from nnoeabs.peaks (2.34, 8.11, 113.44 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.87: * HG2 GLU 23 + H GLU 23 OK 85 100 - 85 - 5.1=32, 1.8/663=27...(11) HG3 GLU 58 + H GLU 23 OK 18 78 - 23 - 1.8/663=8, 1490/3.0=4...(7) HG2 GLN 48 - H GLU 23 lone 1 99 - 1 - HG2 PRO 73 - H GLU 23 lone 1 81 - 1 - Peak 663 from nnoeabs.peaks (2.25, 8.11, 113.44 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.88: * HG3 GLU 23 + H GLU 23 OK 84 100 - 84 - 5.1=31, 1.8/662=28...(11) HG2 GLU 58 + H GLU 23 OK 24 92 - 26 - 1.8/662=6, 1510=5...(9) HG2 GLU 28 - H GLU 23 lone 5 97 - 5 - HG2 MET 50 - H GLU 23 lone 2 78 - 3 - Peak 664 from nnoeabs.peaks (8.39, 8.39, 116.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + H ASN 24 OK 100 100 - 100 Peak 665 from nnoeabs.peaks (4.95, 8.39, 116.52 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + H ASN 24 OK 100 100 - 100 - 2.9=100 Peak 666 from nnoeabs.peaks (2.91, 8.39, 116.52 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.92: * HB2 ASN 24 + H ASN 24 OK 92 100 - 92 - 4.0=83, 1.8/667=36...(5) HB2 ASN 91 - H ASN 24 lone 2 100 - 2 - HB3 ASN 91 - H ASN 24 lone 2 100 - 2 - HB3 PHE 97 - H ASN 24 lone 1 65 - 2 - Peak 667 from nnoeabs.peaks (2.72, 8.39, 116.52 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.84: * HB3 ASN 24 + H ASN 24 OK 84 100 - 84 - 4.0=69, 1.8/666=31...(5) HB3 ASN 13 - H ASN 24 lone 6 99 - 5 - 1528=2 HB2 ASP 81 - H ASN 24 lone 1 100 - 1 - HB3 PHE 17 - H ASN 24 lone 1 96 - 1 - HB3 ASP 72 - H ASN 24 lone 1 100 - 1 - Peak 670 from nnoeabs.peaks (6.84, 6.84, 118.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + H VAL 25 OK 100 100 - 100 Peak 671 from nnoeabs.peaks (4.15, 6.84, 118.19 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + H VAL 25 OK 100 100 - 100 - 3.0=100 Peak 672 from nnoeabs.peaks (1.99, 6.84, 118.19 ppm; 2.89 A): 2 out of 9 assignments used, quality = 0.79: * HB VAL 25 + H VAL 25 OK 73 100 - 73 - 4.0=39, 2.1/1544=21...(9) HB2 GLU 23 + H VAL 25 OK 24 96 - 25 - 4.1/1076=11, 3.0/4853=8...(4) HB2 LYS 77 - H VAL 25 lone 4 92 - 4 - 1539=1 HG2 PRO 49 - H VAL 25 lone 3 97 - 3 - HB3 GLU 28 - H VAL 25 lone 2 92 - 2 - 80/4.6=1 HB3 GLN 36 - H VAL 25 lone 1 78 - 2 - HB2 GLU 65 - H VAL 25 lone 1 90 - 1 - HG3 PRO 74 - H VAL 25 lone 1 98 - 1 - HG2 GLN 19 - H VAL 25 lone 1 87 - 1 - Peak 673 from nnoeabs.peaks (0.79, 6.84, 118.19 ppm; 2.76 A): 3 out of 5 assignments used, quality = 0.88: * QG1 VAL 25 + H VAL 25 OK 72 100 - 72 - 3.9=36, 2.1/672=18...(12) QG2 VAL 25 + H VAL 25 OK 48 68 - 70 - 3.9=36, 2.1/1544=19...(9) QD1 LEU 53 + H VAL 25 OK 16 76 - 21 - 5787/4.6=4, 2.1/5786=3...(8) QG2 ILE 40 - H VAL 25 lone 5 73 - 6 - 3.3/5405=2, 4869/4.6=1 QD1 ILE 93 - H VAL 25 lone 4 100 - 4 - Peak 674 from nnoeabs.peaks (0.82, 6.84, 118.19 ppm; 2.65 A): 3 out of 9 assignments used, quality = 0.85: * QG2 VAL 25 + H VAL 25 OK 67 100 - 67 - 3.9=32, 2.1/1544=18...(9) QG1 VAL 25 + H VAL 25 OK 44 68 - 65 - 3.9=32, 2.1/672=17...(11) QD2 LEU 62 + H VAL 25 OK 17 83 - 20 - 2.1/4893=13, 1538/3.0=2...(4) QG2 ILE 16 - H VAL 25 lone 8 96 - 9 - 3.1/4632=2, 4623=2 QG2 ILE 40 - H VAL 25 lone 7 100 - 6 - 3.3/5405=2, 5451/6159=1 QG1 VAL 30 - H VAL 25 lone 6 76 - 8 - 4089/4.6=2, 1549=1 QG2 VAL 30 - H VAL 25 lone 4 60 - 7 - 5065/4.6=2, 2.1/1549=1 QG2 ILE 80 - H VAL 25 lone 1 68 - 2 - QD1 ILE 93 - H VAL 25 lone 1 57 - 2 - Peak 675 from nnoeabs.peaks (7.30, 7.30, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 26 + H THR 26 OK 100 100 - 100 Peak 676 from nnoeabs.peaks (4.72, 7.30, 111.48 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 26 + H THR 26 OK 100 100 - 100 - 3.0=100 Peak 677 from nnoeabs.peaks (4.68, 7.30, 111.48 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.94: * HB THR 26 + H THR 26 OK 91 100 - 91 - 4.0=68, 2.1/1562=33...(9) HA LEU 53 + H THR 26 OK 29 89 - 33 - 4.0/5784=12, 4.0/5787=12...(6) HA SER 96 - H THR 26 lone 4 95 - 4 - 85/4.6=1 HA GLU 87 - H THR 26 lone 3 89 - 3 - HA PHE 83 - H THR 26 lone 2 73 - 3 - 5.6/4925=2 HA GLN 48 - H THR 26 lone 2 92 - 2 - HA PRO 92 - H THR 26 lone 1 63 - 1 - Peak 678 from nnoeabs.peaks (1.26, 7.30, 111.48 ppm; 3.36 A): 2 out of 6 assignments used, quality = 0.92: * QG2 THR 26 + H THR 26 OK 90 100 - 90 - 4.0=60, 1563/3.0=26...(14) QB ALA 98 + H THR 26 OK 15 100 - 15 - 6989=3, 4896/3.6=3...(6) HG12 ILE 16 - H THR 26 lone 7 73 - 10 - 4896/3.6=2, 4891/4.6=1...(5) HG3 LYS 86 - H THR 26 lone 5 90 - 5 - HG3 LYS 35 - H THR 26 lone 5 100 - 5 - HG13 ILE 39 - H THR 26 lone 3 83 - 4 - Peak 679 from nnoeabs.peaks (9.07, 9.07, 122.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 27 + H ILE 27 OK 100 100 - 100 Peak 680 from nnoeabs.peaks (3.51, 9.07, 122.12 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 27 + H ILE 27 OK 100 100 - 100 - 3.0=100 Peak 681 from nnoeabs.peaks (1.87, 9.07, 122.12 ppm; 3.10 A): 1 out of 14 assignments used, quality = 0.89: * HB ILE 27 + H ILE 27 OK 89 100 - 89 - 4.0=48, 2.1/1580=22...(18) HB ILE 16 - H ILE 27 lone 9 99 - 9 - 4.0/1079=3, 89/4.7=2, 3.0/86=2 HB3 LYS 44 - H ILE 27 lone 4 100 - 4 - 89/4.7=1 HB2 LYS 44 - H ILE 27 lone 4 99 - 4 - 89/4.7=1 HB ILE 37 - H ILE 27 lone 3 97 - 3 - HB2 GLU 87 - H ILE 27 lone 3 87 - 3 - 3.0/85=1 HB2 PRO 92 - H ILE 27 lone 2 100 - 2 - HB2 LEU 62 - H ILE 27 lone 2 68 - 3 - 5807/5791=1 HD3 LYS 77 - H ILE 27 lone 1 100 - 1 - HB2 LYS 61 - H ILE 27 lone 1 63 - 2 - HB2 LYS 63 - H ILE 27 lone 1 92 - 1 - HB2 ARG 57 - H ILE 27 lone 1 63 - 1 - HB3 ARG 57 - H ILE 27 lone 1 63 - 1 - HB2 PRO 74 - H ILE 27 lone 0 60 - 1 - Peak 682 from nnoeabs.peaks (0.93, 9.07, 122.12 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.99: * QG2 ILE 27 + H ILE 27 OK 95 100 - 95 - 4.0=61, 2.1/1573=33...(18) QD1 ILE 27 + H ILE 27 OK 75 83 - 91 - 5.0=32, 2.1/1594=29...(17) QD1 ILE 39 - H ILE 27 lone 4 92 - 4 - 2.1/86=1 Peak 683 from nnoeabs.peaks (1.66, 9.07, 122.12 ppm; 3.28 A): 1 out of 18 assignments used, quality = 0.90: * HG12 ILE 27 + H ILE 27 OK 90 100 - 90 - 4.6=37, 1.8/1594=29...(15) HG12 ILE 40 - H ILE 27 poor 10 87 - 11 - ~4958=4, 1570/3.0=3, 1587=2 QB ALA 79 - H ILE 27 lone 7 97 - 7 - 1570/3.0=1, 6475/5.0=1...(4) HB ILE 40 - H ILE 27 lone 6 73 - 8 - ~4958=2, 1570/3.0=2, 3.0/1587=2 HD2 LYS 44 - H ILE 27 lone 6 76 - 8 - 1587=1, 1.8/1587=1 HD3 LYS 44 - H ILE 27 lone 6 73 - 8 - 1587=1, 1.8/1587=1 HB2 MET 50 - H ILE 27 lone 4 99 - 4 - 1570/3.0=2 HD2 LYS 94 - H ILE 27 lone 4 85 - 4 - 1587=1 HD3 LYS 94 - H ILE 27 lone 4 85 - 4 - 1587=1 HD2 LYS 61 - H ILE 27 lone 3 76 - 3 - HD3 LYS 61 - H ILE 27 lone 3 76 - 3 - HG3 GLN 19 - H ILE 27 lone 2 97 - 2 - HB3 LYS 61 - H ILE 27 lone 2 100 - 2 - HB VAL 18 - H ILE 27 lone 2 81 - 3 - HD3 LYS 63 - H ILE 27 lone 1 76 - 2 - HD3 LYS 35 - H ILE 27 lone 1 65 - 2 - HG3 ARG 57 - H ILE 27 lone 1 78 - 1 - HG2 ARG 57 - H ILE 27 lone 1 73 - 1 - Peak 684 from nnoeabs.peaks (1.16, 9.07, 122.12 ppm; 3.40 A): 4 out of 5 assignments used, quality = 0.95: * HG13 ILE 27 + H ILE 27 OK 93 100 - 93 - 4.6=41, 2.8/1573=28...(17) QG2 THR 15 + H ILE 27 OK 11 100 - 11 - 4.1/1079=3, 92/4.7=2...(4) HB2 LEU 21 + H ILE 27 OK 11 100 - 11 - 1571/3.0=3, 5812/5791=2...(6) HB3 LEU 21 + H ILE 27 OK 11 99 - 11 - 1571/3.0=3, 5812/5791=2...(6) HG13 ILE 37 - H ILE 27 lone 5 87 - 5 - 1571/3.0=1 Peak 685 from nnoeabs.peaks (0.95, 9.07, 122.12 ppm; 3.27 A): 2 out of 3 assignments used, quality = 0.98: * QD1 ILE 27 + H ILE 27 OK 90 100 - 90 - 5.0=28, 2.1/1594=27...(17) QG2 ILE 27 + H ILE 27 OK 77 83 - 93 - 4.0=54, 2.1/1573=31...(18) QB ALA 66 - H ILE 27 OK 19 96 - 20 - 6039/3.0=8, 6028/5793=5...(7) Peak 686 from nnoeabs.peaks (8.80, 8.80, 118.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + H GLU 28 OK 100 100 - 100 Peak 687 from nnoeabs.peaks (3.98, 8.80, 118.07 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + H GLU 28 OK 100 100 - 100 - 2.9=100 Peak 688 from nnoeabs.peaks (2.08, 8.80, 118.07 ppm; 2.94 A): 1 out of 6 assignments used, quality = 0.78: * HB2 GLU 28 + H GLU 28 OK 78 100 - 78 - 3.7=48, 1.8/689=22...(9) HB2 LYS 86 - H GLU 28 lone 9 99 - 9 - 1.8/690=3, 2.8/4987=1...(5) HB3 GLU 23 - H GLU 28 lone 2 89 - 2 - HG2 PRO 74 - H GLU 28 lone 1 60 - 2 - HB3 LYS 77 - H GLU 28 lone 1 57 - 2 - HB2 LYS 35 - H GLU 28 lone 1 65 - 1 - Peak 689 from nnoeabs.peaks (1.98, 8.80, 118.07 ppm; 3.13 A): 2 out of 11 assignments used, quality = 0.88: * HB3 GLU 28 + H GLU 28 OK 86 100 - 86 - 3.7=58, 1.8/688=31...(10) HG2 PRO 49 + H GLU 28 OK 12 71 - 17 - 5642/4.3=7, 7090/2.9=4...(4) HG2 GLN 19 - H GLU 28 lone 4 100 - 4 - 4066/4.6=2 HB VAL 25 - H GLU 28 lone 4 92 - 5 - 97/4.6=2 HG3 PRO 74 - H GLU 28 lone 3 99 - 3 - HB2 LYS 77 - H GLU 28 lone 3 100 - 3 - HB2 GLU 23 - H GLU 28 lone 2 65 - 3 - 3.0/690=1 HB2 GLU 65 - H GLU 28 lone 2 100 - 2 - HB2 LYS 45 - H GLU 28 lone 0 63 - 1 - HB3 LYS 45 - H GLU 28 lone 0 63 - 1 - HG3 PRO 73 - H GLU 28 lone 0 63 - 1 - Peak 690 from nnoeabs.peaks (2.26, 8.80, 118.07 ppm; 3.41 A): 3 out of 5 assignments used, quality = 0.87: * HG2 GLU 28 + H GLU 28 OK 84 100 - 84 - 5.1=30, 1.8/691=26...(11) HB3 LYS 86 + H GLU 28 OK 13 83 - 15 - 1.8/688=4, 2.8/4987=2...(7) HG2 MET 50 + H GLU 28 OK 11 97 - 11 - 1.8/5703=3, 5701=2...(5) HG3 GLU 23 - H GLU 28 lone 5 97 - 5 - 1612/2.9=1 HG2 GLU 58 - H GLU 28 lone 1 68 - 1 - Peak 691 from nnoeabs.peaks (2.47, 8.80, 118.07 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.93: * HG3 GLU 28 + H GLU 28 OK 92 100 - 93 - 5.1=43, 1.8/690=31...(12) HE2 LYS 86 + H GLU 28 OK 12 85 - 14 - 4.7/690=2, 4.7/688=2...(7) HB3 ASP 56 - H GLU 28 lone 2 76 - 2 - Peak 692 from nnoeabs.peaks (8.23, 8.23, 115.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 29 + H SER 29 OK 100 100 - 100 Peak 693 from nnoeabs.peaks (4.38, 8.23, 115.72 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 29 + H SER 29 OK 100 100 - 100 - 2.9=100 Peak 694 from nnoeabs.peaks (4.01, 8.23, 115.72 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.87: * HB2 SER 29 + H SER 29 OK 68 100 - 68 - 4.0=48, 1.8/1646=23...(6) HA GLU 28 + H SER 29 OK 58 67 - 87 - 3.6=68, 2.9/1080=18...(11) HA LYS 44 - H SER 29 lone 4 91 - 5 - 3.7/5021=1 HB3 SER 89 - H SER 29 lone 4 97 - 4 - 1642=1 HA SER 75 - H SER 29 lone 2 95 - 3 - HA ARG 57 - H SER 29 lone 1 92 - 1 - Peak 695 from nnoeabs.peaks (4.08, 8.23, 115.72 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.83: * HB3 SER 29 + H SER 29 OK 81 100 - 81 - 4.0=67, 1.8/1642=27...(5) HA ILE 39 + H SER 29 OK 11 97 - 11 - 3.6/1140=3, 3.8/5022=2...(5) HA LYS 41 - H SER 29 lone 7 84 - 9 - 3.0/5021=2, 103/4.6=2 HA3 GLY 38 - H SER 29 lone 6 100 - 6 - 3.0/5011=3, 103/4.6=1 HB THR 67 - H SER 29 lone 5 75 - 7 - 2.1/5021=2, 6055/4.6=1 Peak 696 from nnoeabs.peaks (7.97, 7.97, 124.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 30 + H VAL 30 OK 100 100 - 100 Peak 697 from nnoeabs.peaks (3.75, 7.97, 124.77 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 30 + H VAL 30 OK 100 100 - 100 - 3.0=100 Peak 698 from nnoeabs.peaks (2.19, 7.97, 124.77 ppm; 2.90 A): 2 out of 9 assignments used, quality = 0.70: * HB VAL 30 + H VAL 30 OK 67 100 - 67 - 4.0=39, 2.1/700=11...(11) HB2 PHE 88 + H VAL 30 OK 11 92 - 12 - ~5057=3, 4.4/5054=2, 5.8/4865=2 HB2 PRO 49 - H VAL 30 poor 8 63 - 13 - 106/4.6=3, 5622/3.9=1...(5) HB3 GLN 48 - H VAL 30 lone 6 100 - 6 - HG2 GLU 65 - H VAL 30 lone 3 100 - 3 - HB3 PRO 92 - H VAL 30 lone 2 76 - 3 - HG3 GLU 87 - H VAL 30 lone 2 100 - 2 - HG3 PRO 92 - H VAL 30 lone 2 85 - 2 - HB2 PRO 73 - H VAL 30 lone 0 60 - 1 - Peak 699 from nnoeabs.peaks (0.85, 7.97, 124.77 ppm; 2.58 A): 5 out of 10 assignments used, quality = 0.91: * QG2 VAL 30 + H VAL 30 OK 64 100 - 64 - 3.9=29, 2.1/698=16...(12) QG1 VAL 30 + H VAL 30 OK 62 99 - 62 - 3.9=29, 2.1/698=16...(12) QG2 ILE 80 + H VAL 30 OK 17 100 - 17 - 4324=3, 2.1/4323=2...(7) QD1 ILE 51 + H VAL 30 OK 17 71 - 24 - 3.2/5037=4, 5708/4.6=2...(9) QG2 VAL 25 + H VAL 30 OK 10 60 - 17 - 4.3/5055=5, ~4905=2...(9) QD2 LEU 62 - H VAL 30 lone 9 98 - 9 - 5052/5038=1, 1660=1 QG2 ILE 37 - H VAL 30 lone 8 100 - 8 - QG2 ILE 16 - H VAL 30 lone 8 89 - 9 - 4.0/1142=1 QG1 VAL 18 - H VAL 30 lone 5 76 - 6 - 4.1/1082=1 QG2 THR 42 - H VAL 30 lone 3 63 - 5 - 4.2/1142=1 Peak 700 from nnoeabs.peaks (0.84, 7.97, 124.77 ppm; 2.58 A): 5 out of 9 assignments used, quality = 0.91: QG2 VAL 30 + H VAL 30 OK 63 99 - 64 - 3.9=29, 2.1/698=16...(13) * QG1 VAL 30 + H VAL 30 OK 62 100 - 62 - 3.9=29, 2.1/698=16...(13) QG2 ILE 80 + H VAL 30 OK 17 100 - 17 - 4324=3, 2.1/4323=2...(7) QG2 VAL 25 + H VAL 30 OK 14 76 - 18 - 4.3/5055=5, ~4905=2...(9) QG2 ILE 40 + H VAL 30 OK 11 71 - 16 - 3.3/5037=4, 4.0/1082=2...(5) QG2 ILE 16 - H VAL 30 lone 9 97 - 10 - 4.0/1142=1 QD2 LEU 62 - H VAL 30 lone 9 100 - 9 - 5052/5038=1 QG2 ILE 37 - H VAL 30 lone 8 99 - 8 - QG1 VAL 18 - H VAL 30 lone 3 60 - 5 - 4.1/1082=1 Peak 701 from nnoeabs.peaks (8.70, 8.70, 123.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + H ALA 31 OK 100 100 - 100 Peak 702 from nnoeabs.peaks (3.89, 8.70, 123.11 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + H ALA 31 OK 100 100 - 100 - 3.0=100 Peak 703 from nnoeabs.peaks (1.46, 8.70, 123.11 ppm; 2.58 A): 3 out of 7 assignments used, quality = 0.88: * QB ALA 31 + H ALA 31 OK 81 100 - 81 - 2.9=68, 3.5/1083=10...(15) HB ILE 51 + H ALA 31 OK 27 99 - 27 - 3.2/5708=7, 2.1/5082=5...(9) HB2 LYS 41 + H ALA 31 OK 14 99 - 14 - 2056=2, 1.8/2066=2 HG12 ILE 80 - H ALA 31 lone 9 97 - 9 - 4325/4.6=1 HG2 LYS 44 - H ALA 31 lone 6 98 - 6 - 3.7/1147=1 QG2 THR 67 - H ALA 31 lone 6 97 - 6 - HG3 LYS 94 - H ALA 31 lone 3 78 - 4 - Peak 704 from nnoeabs.peaks (8.31, 8.31, 115.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 32 + H ASP 32 OK 100 100 - 100 Peak 705 from nnoeabs.peaks (4.30, 8.31, 115.33 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 32 + H ASP 32 OK 100 100 - 100 - 3.0=100 Peak 706 from nnoeabs.peaks (2.75, 8.31, 115.33 ppm; 2.67 A): 2 out of 4 assignments used, quality = 0.72: * HB2 ASP 32 + H ASP 32 OK 66 100 - 66 - 3.9=32, 1.8/707=22...(13) HB3 PHE 34 + H ASP 32 OK 16 90 - 18 - 4.1/1154=4, 4435/3.6=4...(6) HB3 PHE 70 - H ASP 32 lone 4 73 - 6 - 4434/3.6=2, 5099/3.5=1 HB3 ASP 84 - H ASP 32 lone 4 81 - 5 - Peak 707 from nnoeabs.peaks (2.62, 8.31, 115.33 ppm; 3.01 A): 2 out of 5 assignments used, quality = 0.80: * HB3 ASP 32 + H ASP 32 OK 78 100 - 78 - 3.9=45, 1.8/1680=29...(11) HB3 ASP 12 + H ASP 32 OK 12 100 - 12 - 1684=5, 115/4.6=2...(4) HB3 ASP 81 - H ASP 32 lone 5 98 - 5 - 4.0/1151=1, 5098/3.5=1 HB3 ASN 52 - H ASP 32 lone 1 65 - 1 - HB2 ASN 52 - H ASP 32 lone 1 57 - 1 - Peak 708 from nnoeabs.peaks (7.53, 7.53, 119.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 33 + H TYR 33 OK 100 100 - 100 Peak 709 from nnoeabs.peaks (4.20, 7.53, 119.11 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + H TYR 33 OK 100 100 - 100 - 3.0=100 Peak 710 from nnoeabs.peaks (3.09, 7.53, 119.11 ppm; 3.24 A): 1 out of 6 assignments used, quality = 0.86: * HB2 TYR 33 + H TYR 33 OK 86 100 - 86 - 4.0=51, 1.8/711=34...(12) HB3 TRP 82 - H TYR 33 lone 9 100 - 9 - 6561=1, 3.9/4721=1...(4) HE3 LYS 41 - H TYR 33 lone 3 100 - 3 - HB2 ASP 56 - H TYR 33 lone 1 73 - 1 - HE3 LYS 77 - H TYR 33 lone 1 100 - 1 - HE2 LYS 77 - H TYR 33 lone 1 78 - 1 - Peak 711 from nnoeabs.peaks (2.82, 7.53, 119.11 ppm; 3.17 A): 1 out of 4 assignments used, quality = 0.84: * HB3 TYR 33 + H TYR 33 OK 84 100 - 84 - 4.0=48, 1.8/710=29...(12) HB2 ASP 72 - H TYR 33 lone 2 100 - 2 - HB2 PHE 17 - H TYR 33 lone 2 100 - 2 - HB2 TYR 54 - H TYR 33 lone 2 98 - 2 - Peak 715 from nnoeabs.peaks (5.84, 7.53, 119.11 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.97: * QD TYR 33 + H TYR 33 OK 97 100 - 97 - 4.5=68, 2.5/711=39...(15) Peak 716 from nnoeabs.peaks (7.99, 7.99, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 34 + H PHE 34 OK 100 100 - 100 Peak 717 from nnoeabs.peaks (4.33, 7.99, 112.45 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + H PHE 34 OK 100 100 - 100 - 3.0=100 Peak 718 from nnoeabs.peaks (3.41, 7.99, 112.45 ppm; 3.41 A): 4 out of 4 assignments used, quality = 0.93: * HB2 PHE 34 + H PHE 34 OK 87 100 - 87 - 4.1=59, 1.8/719=26...(11) HB2 PHE 83 + H PHE 34 OK 21 93 - 23 - 2.4/116=6, ~7155=5...(6) HA ILE 80 + H PHE 34 OK 16 100 - 16 - 6514/4.1=3, 3.2/5192=2...(5) HB2 PHE 70 + H PHE 34 OK 12 81 - 15 - 1.8/719=4, 4.4/5171=3...(4) Peak 719 from nnoeabs.peaks (2.77, 7.99, 112.45 ppm; 2.94 A): 3 out of 4 assignments used, quality = 0.83: * HB3 PHE 34 + H PHE 34 OK 74 100 - 74 - 4.1=38, 2.4/723=18...(11) HB2 ASP 32 + H PHE 34 OK 26 90 - 29 - 3.0/1160=13, 4.5/116=7...(6) HB3 PHE 70 + H PHE 34 OK 12 99 - 13 - 1.8/718=2, 4.4/5171=2...(4) HB3 ASP 84 - H PHE 34 lone 5 100 - 4 - Peak 723 from nnoeabs.peaks (7.43, 7.99, 112.45 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.91: * QD PHE 34 + H PHE 34 OK 87 100 - 87 - 4.5=38, 1743/3.0=22...(16) H ALA 76 + H PHE 34 OK 15 92 - 16 - 1743/3.0=3, 4.6/1162=2...(8) H THR 46 + H PHE 34 OK 12 99 - 12 - 4657/4.6=3, 5146/4.3=2...(4) Peak 724 from nnoeabs.peaks (8.35, 8.35, 118.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 35 + H LYS 35 OK 100 100 - 100 Peak 725 from nnoeabs.peaks (4.91, 8.35, 118.82 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + H LYS 35 OK 100 100 - 100 - 3.0=100 Peak 726 from nnoeabs.peaks (2.05, 8.35, 118.82 ppm; 3.07 A): 1 out of 7 assignments used, quality = 0.84: * HB2 LYS 35 + H LYS 35 OK 84 100 - 84 - 3.8=55, 1.8/727=26...(12) HB2 LYS 86 - H LYS 35 lone 4 85 - 5 - 2.8/729=1, 134/4.6=1 HG2 PRO 92 - H LYS 35 lone 3 73 - 4 - 1.8/727=1, 2.3/727=1 HB3 GLU 23 - H LYS 35 lone 3 97 - 3 - HB3 MET 50 - H LYS 35 lone 2 78 - 3 - QE MET 50 - H LYS 35 lone 2 87 - 2 - HB2 GLU 28 - H LYS 35 lone 1 65 - 1 - Peak 727 from nnoeabs.peaks (2.16, 8.35, 118.82 ppm; 3.27 A): 1 out of 8 assignments used, quality = 0.89: * HB3 LYS 35 + H LYS 35 OK 89 100 - 89 - 3.8=66, 1.8/726=32...(11) HB2 PRO 73 - H LYS 35 lone 5 100 - 4 - 3.0/1168=2 HB3 PRO 92 - H LYS 35 lone 4 98 - 4 - HB2 PHE 88 - H LYS 35 lone 4 89 - 4 - 6714/4378=1 HG3 PRO 92 - H LYS 35 lone 4 95 - 4 - 1.8/726=1 HB3 GLU 58 - H LYS 35 lone 2 100 - 2 - 135/4.6=1 HG3 GLU 65 - H LYS 35 lone 1 73 - 1 - HB2 GLU 58 - H LYS 35 lone 1 60 - 1 - Peak 728 from nnoeabs.peaks (1.76, 8.35, 118.82 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.89: * HG2 LYS 35 + H LYS 35 OK 76 100 - 76 - 4.8=28, 3.0/726=21...(13) HD2 LYS 35 + H LYS 35 OK 55 83 - 66 - 3.6/726=17, 3.6/727=16...(12) HB3 GLN 19 - H LYS 35 lone 8 100 - 8 - 4748=2, 1.8/4747=2...(4) Peak 729 from nnoeabs.peaks (1.27, 8.35, 118.82 ppm; 3.60 A): 1 out of 6 assignments used, quality = 0.87: * HG3 LYS 35 + H LYS 35 OK 87 100 - 87 - 4.8=43, 3.0/726=28...(14) QB ALA 98 - H LYS 35 lone 9 100 - 9 - 3.6/5242=3, 137/4.6=2 HG13 ILE 39 - H LYS 35 lone 7 85 - 8 - ~5375=3, 1.8/731=1 HG3 LYS 86 - H LYS 35 lone 7 89 - 7 - 137/4.6=2, 2.8/726=2, 3592/4.6=1 QG2 THR 26 - H LYS 35 lone 3 100 - 3 - HG12 ILE 16 - H LYS 35 lone 2 76 - 3 - 3.2/5225=1 Peak 730 from nnoeabs.peaks (1.74, 8.35, 118.82 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.91: * HD2 LYS 35 + H LYS 35 OK 69 100 - 69 - 3.6/726=19, 3.6/727=17...(12) HG2 LYS 35 + H LYS 35 OK 64 83 - 78 - 4.8=30, 3.0/726=23...(12) HB2 LEU 53 + H LYS 35 OK 14 78 - 18 - 3.1/5226=5, 3.1/5781=3...(8) HB3 GLN 19 - H LYS 35 lone 7 89 - 8 - 4748=2, 1.8/4747=2...(4) HB ILE 80 - H LYS 35 lone 3 78 - 4 - 2.1/5225=2 Peak 731 from nnoeabs.peaks (1.69, 8.35, 118.82 ppm; 3.96 A): 2 out of 18 assignments used, quality = 0.94: * HD3 LYS 35 + H LYS 35 OK 87 100 - 87 - 3.6/726=27, 3.6/727=25...(14) HB ILE 40 + H LYS 35 OK 54 100 - 54 - 3.2/5226=19, ~5430=11...(10) QB ALA 79 - H LYS 35 OK 19 89 - 22 - 6463/4.3=8, 6470/4.2=4...(5) HD2 LYS 94 - H LYS 35 OK 17 99 - 17 - 2.9/3884=3, 3.4/3854=3...(5) HD3 LYS 94 - H LYS 35 OK 17 99 - 17 - 2.9/3884=3, 3.4/3854=3...(5) HD2 LYS 61 - H LYS 35 OK 13 100 - 13 - 1801/3.8=2, 1791/3.0=2...(5) HD3 LYS 61 - H LYS 35 OK 13 100 - 13 - 1801/3.8=2, 1791/3.0=2...(5) HD2 LYS 44 - H LYS 35 OK 12 100 - 12 - 1801/3.8=2, 3.0/732=2...(5) HD3 LYS 44 - H LYS 35 OK 12 100 - 12 - 1801/3.8=2, 3.0/732=2...(5) HG12 ILE 39 - H LYS 35 OK 12 99 - 12 - ~5375=4, 1.8/729=3...(4) HD3 LYS 63 - H LYS 35 lone 9 100 - 9 - 5.9/124=2, 3.9/4261=1 HG12 ILE 27 - H LYS 35 lone 5 65 - 8 - ~4954=2 HB3 LYS 61 - H LYS 35 lone 5 65 - 8 - 5.0/732=1 HD3 LYS 45 - H LYS 35 lone 2 90 - 2 - HG3 ARG 57 - H LYS 35 lone 2 100 - 2 - HD2 LYS 45 - H LYS 35 lone 2 87 - 2 - HG2 ARG 57 - H LYS 35 lone 2 100 - 2 - HD2 LYS 77 - H LYS 35 lone 1 89 - 1 - Peak 732 from nnoeabs.peaks (3.02, 8.35, 118.82 ppm; 4.84 A): 2 out of 9 assignments used, quality = 0.99: HE3 LYS 35 + H LYS 35 OK 88 100 - 88 - 7.2=30, 3.9/729=28...(10) * HE2 LYS 35 + H LYS 35 OK 88 100 - 88 - 7.2=30, 3.9/729=28...(10) HE3 LYS 44 - H LYS 35 OK 24 100 - 25 - 1802/3.8=4, 1812/3.8=4...(9) HE2 LYS 44 - H LYS 35 OK 24 100 - 25 - 1802/3.8=4, 1812/3.8=4...(9) HE2 LYS 61 - H LYS 35 OK 22 96 - 23 - 1802/3.8=3, 1813/3.8=3...(9) HE3 LYS 61 - H LYS 35 OK 19 89 - 22 - 1802/3.8=3, 1813/3.8=3...(9) HB2 SER 75 - H LYS 35 OK 14 89 - 16 - 1.8/1168=6, 6358/4.2=3 HE2 LYS 45 - H LYS 35 lone 2 68 - 3 - HE3 LYS 45 - H LYS 35 lone 2 68 - 3 - Peak 734 from nnoeabs.peaks (7.50, 7.50, 116.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 36 + H GLN 36 OK 100 100 - 100 Peak 735 from nnoeabs.peaks (4.13, 7.50, 116.16 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 36 + H GLN 36 OK 100 100 - 100 - 2.9=100 Peak 736 from nnoeabs.peaks (2.11, 7.50, 116.16 ppm; 3.23 A): 1 out of 6 assignments used, quality = 0.91: * HB2 GLN 36 + H GLN 36 OK 91 100 - 91 - 4.0=51, 1.8/737=35...(12) HB2 GLU 58 - H GLN 36 poor 9 81 - 10 - 1.8/135=3, 3.0/739=2...(4) HB2 GLN 19 - H GLN 36 lone 7 100 - 6 - 1.8/136=2, 4747/4.6=1 HB3 LYS 77 - H GLN 36 lone 3 100 - 3 - HG2 PRO 74 - H GLN 36 lone 1 100 - 1 - HG3 GLU 65 - H GLN 36 lone 0 68 - 1 - Peak 737 from nnoeabs.peaks (2.01, 7.50, 116.16 ppm; 2.91 A): 1 out of 7 assignments used, quality = 0.82: * HB3 GLN 36 + H GLN 36 OK 82 100 - 82 - 4.0=37, 1.8/736=24...(12) HG2 PRO 92 - H GLN 36 lone 2 97 - 2 - HB3 MET 50 - H GLN 36 lone 2 95 - 2 - HG2 PRO 49 - H GLN 36 lone 2 96 - 2 - HB VAL 25 - H GLN 36 lone 2 78 - 2 - HB2 GLU 23 - H GLN 36 lone 2 97 - 1 - QE MET 50 - H GLN 36 lone 1 89 - 2 - Peak 738 from nnoeabs.peaks (2.42, 7.50, 116.16 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.84: * HG2 GLN 36 + H GLN 36 OK 84 100 - 84 - 1898=26, 1.8/739=25...(14) HG3 GLN 48 - H GLN 36 lone 5 96 - 5 - 3.5/5253=2, 1878/2.9=1 HE2 LYS 86 - H GLN 36 lone 4 68 - 6 - 3.9/137=1, 4.7/134=1, 4.7/739=1 HB3 ASP 56 - H GLN 36 lone 1 78 - 2 - Peak 739 from nnoeabs.peaks (2.30, 7.50, 116.16 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.89: * HG3 GLN 36 + H GLN 36 OK 88 100 - 88 - 1.8/738=33, 5.0=29...(12) HG3 GLU 58 + H GLN 36 OK 10 97 - 10 - 1879/2.9=2, 3.0/135=2...(5) HB3 LYS 86 - H GLN 36 poor 9 81 - 11 - 1.8/134=3, 2.8/137=2, 1879/2.9=1 HB3 PRO 73 - H GLN 36 lone 3 100 - 3 - 1.8/135=1 HG2 MET 50 - H GLN 36 lone 1 57 - 3 - Peak 741 from nnoeabs.peaks (7.63, 7.50, 116.16 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.84: * HE22 GLN 36 + H GLN 36 OK 84 100 - 85 - 3.5/738=35, 6.7=31...(7) HD22 ASN 24 - H GLN 36 lone 4 100 - 4 - 1.7/5253=1 H GLN 48 - H GLN 36 lone 3 65 - 5 - 5.0/738=2, 6.9/5253=1 H TYR 54 - H GLN 36 lone 2 95 - 2 - HD21 ASN 43 - H GLN 36 lone 1 81 - 1 - Peak 742 from nnoeabs.peaks (7.81, 7.81, 116.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + H ILE 37 OK 100 100 - 100 Peak 743 from nnoeabs.peaks (4.23, 7.81, 116.34 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + H ILE 37 OK 100 100 - 100 - 3.0=100 Peak 744 from nnoeabs.peaks (1.85, 7.81, 116.34 ppm; 3.01 A): 2 out of 11 assignments used, quality = 0.85: * HB ILE 37 + H ILE 37 OK 83 100 - 83 - 3.9=47, 2.1/1928=18...(14) HB ILE 16 + H ILE 37 OK 11 100 - 11 - 2.1/745=3, 1921=3, 152/4.6=2 HB2 LYS 61 - H ILE 37 lone 5 89 - 5 - 3.0/5292=1 HD3 LYS 77 - H ILE 37 lone 4 96 - 4 - 6408/4.6=2 HB2 LYS 44 - H ILE 37 lone 2 100 - 2 - HB3 LYS 44 - H ILE 37 lone 2 99 - 2 - HB ILE 27 - H ILE 37 lone 2 97 - 2 - HB2 LYS 63 - H ILE 37 lone 1 68 - 2 - HB2 PRO 92 - H ILE 37 lone 1 96 - 1 - HB2 PRO 74 - H ILE 37 lone 1 87 - 1 - HB2 GLU 87 - H ILE 37 lone 0 60 - 1 - Peak 745 from nnoeabs.peaks (0.85, 7.81, 116.34 ppm; 3.15 A): 3 out of 9 assignments used, quality = 0.90: * QG2 ILE 37 + H ILE 37 OK 86 100 - 86 - 4.0=49, 2.1/744=24...(15) QG2 ILE 80 + H ILE 37 OK 14 100 - 14 - 3.2/748=4, 1952/4.5=2...(4) QG2 ILE 16 + H ILE 37 OK 13 85 - 16 - 1928=3, 2.1/744=3...(4) QG2 VAL 30 - H ILE 37 lone 9 100 - 9 - 5049/3.5=2, 5245/4.6=1 QD2 LEU 62 - H ILE 37 lone 8 97 - 9 - 5248/3.5=2, 5245/4.6=1 QG1 VAL 30 - H ILE 37 lone 7 99 - 7 - 5245/4.6=1, 5248/3.5=1 QD1 ILE 51 - H ILE 37 lone 5 76 - 7 - QG1 VAL 18 - H ILE 37 lone 3 81 - 4 - QG2 THR 42 - H ILE 37 lone 1 68 - 2 - Peak 746 from nnoeabs.peaks (1.36, 7.81, 116.34 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.93: * HG12 ILE 37 + H ILE 37 OK 93 100 - 93 - 4.6=51, 1.8/747=30...(10) HB VAL 68 + H ILE 37 OK 11 99 - 11 - 1932/4.0=3, 1918/3.0=3 HG12 ILE 93 - H ILE 37 lone 5 100 - 5 - HB3 LEU 53 - H ILE 37 lone 3 63 - 5 - 1918/3.0=1 Peak 747 from nnoeabs.peaks (1.18, 7.81, 116.34 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.93: * HG13 ILE 37 + H ILE 37 OK 93 100 - 93 - 4.6=52, 1.8/746=31...(11) HB2 LEU 21 - H ILE 37 lone 5 78 - 6 - 1933/4.0=1 HB3 LEU 21 - H ILE 37 lone 5 73 - 6 - 1933/4.0=1 HB3 LYS 41 - H ILE 37 lone 4 89 - 5 - 1933/4.0=1 QG2 THR 15 - H ILE 37 lone 4 78 - 5 - 7014/4405=1, 155/4.6=1 HG13 ILE 27 - H ILE 37 lone 3 87 - 4 - Peak 748 from nnoeabs.peaks (0.35, 7.81, 116.34 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.95: * QD1 ILE 37 + H ILE 37 OK 95 100 - 95 - 4.5=60, 2.1/746=30...(14) HG13 ILE 80 - H ILE 37 OK 22 90 - 25 - 1920/3.0=6, 1934/4.0=5...(7) Peak 749 from nnoeabs.peaks (7.34, 7.34, 107.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 38 + H GLY 38 OK 100 100 - 100 Peak 750 from nnoeabs.peaks (3.92, 7.34, 107.24 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 38 + H GLY 38 OK 100 100 - 100 - 3.0=100 Peak 751 from nnoeabs.peaks (4.08, 7.34, 107.24 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 38 + H GLY 38 OK 100 100 - 100 - 3.0=100 Peak 752 from nnoeabs.peaks (8.12, 8.12, 117.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 39 + H ILE 39 OK 100 100 - 100 Peak 753 from nnoeabs.peaks (4.09, 8.12, 117.46 ppm; 2.84 A): 2 out of 8 assignments used, quality = 0.98: * HA ILE 39 + H ILE 39 OK 95 100 - 95 - 3.0=89, 3.0/754=17...(9) HA3 GLY 38 + H ILE 39 OK 72 99 - 73 - 3.6=50, 1.8/158=25...(10) HA3 GLY 22 - H ILE 39 OK 11 83 - 13 - 4077=3, 1.8/4076=3, 3.0/1074=2 HA GLU 23 - H ILE 39 poor 7 68 - 10 - 3.0/1498=2, 3.0/1492=2...(5) HB THR 67 - H ILE 39 lone 6 95 - 6 - HB3 SER 29 - H ILE 39 lone 5 97 - 5 - 5019/4.6=1 HA LYS 41 - H ILE 39 lone 4 60 - 7 - 5459/4.0=1, 6.2/5363=1 HB2 SER 96 - H ILE 39 lone 1 83 - 1 - Peak 754 from nnoeabs.peaks (1.82, 8.12, 117.46 ppm; 2.89 A): 1 out of 9 assignments used, quality = 0.80: * HB ILE 39 + H ILE 39 OK 80 100 - 80 - 3.9=40, 2.9/757=14...(18) HB2 LYS 94 - H ILE 39 lone 5 100 - 5 - 6871/4.7=2 HB2 LYS 61 - H ILE 39 lone 5 90 - 5 - 5.0/5363=2 HB2 PRO 74 - H ILE 39 lone 3 92 - 4 - 1.8/5351=2 HB ILE 93 - H ILE 39 lone 3 93 - 3 - 162/4.7=1 HB2 GLN 48 - H ILE 39 lone 1 90 - 2 - HG LEU 62 - H ILE 39 lone 1 97 - 1 - HB3 GLU 65 - H ILE 39 lone 1 100 - 1 - HG2 GLU 87 - H ILE 39 lone 1 78 - 1 - Peak 755 from nnoeabs.peaks (0.89, 8.12, 117.46 ppm; 3.25 A): 2 out of 5 assignments used, quality = 0.95: * QG2 ILE 39 + H ILE 39 OK 90 100 - 90 - 4.0=53, 2.1/754=29...(17) QD1 ILE 39 + H ILE 39 OK 54 65 - 82 - 5.0=27, 2.1/757=22...(15) QD1 ILE 51 - H ILE 39 lone 9 93 - 10 - 5708/4.7=3, 1965/3.0=1 QG1 VAL 18 - H ILE 39 lone 7 90 - 8 - 4061/4.7=2, 4.1/1091=2 QG2 THR 42 - H ILE 39 lone 6 97 - 6 - 4.0/5377=1 Peak 756 from nnoeabs.peaks (1.69, 8.12, 117.46 ppm; 3.07 A): 2 out of 18 assignments used, quality = 0.88: * HG12 ILE 39 + H ILE 39 OK 82 100 - 82 - 4.6=30, 1.8/757=22...(16) HB ILE 40 + H ILE 39 OK 32 97 - 33 - 3.9/1091=8, 1966/3.0=5...(11) QB ALA 79 - H ILE 39 poor 8 73 - 11 - 3.7/362=2, 4.7/4319=1 HD3 LYS 61 - H ILE 39 lone 8 97 - 8 - 2.9/5363=2 HD2 LYS 61 - H ILE 39 lone 8 97 - 8 - 2.9/5363=2 HD2 LYS 77 - H ILE 39 lone 8 97 - 8 - 4.6/4468=2, 3.0/5363=1 HD3 LYS 35 - H ILE 39 lone 6 99 - 6 - 3.0/757=1 HD3 LYS 44 - H ILE 39 lone 4 97 - 5 - HD2 LYS 44 - H ILE 39 lone 4 97 - 5 - HD3 LYS 94 - H ILE 39 lone 4 92 - 5 - 3.4/754=1 HD2 LYS 94 - H ILE 39 lone 4 92 - 5 - 3.4/754=1 HB ILE 80 - H ILE 39 lone 2 63 - 4 - 4.0/362=1 HD3 LYS 45 - H ILE 39 lone 2 98 - 2 - HD2 LYS 45 - H ILE 39 lone 2 97 - 2 - HD3 LYS 63 - H ILE 39 lone 1 97 - 1 - HG2 ARG 57 - H ILE 39 lone 1 97 - 1 - HG3 ARG 57 - H ILE 39 lone 1 96 - 1 - HB2 LEU 53 - H ILE 39 lone 0 63 - 1 - Peak 757 from nnoeabs.peaks (1.28, 8.12, 117.46 ppm; 3.33 A): 2 out of 5 assignments used, quality = 0.90: * HG13 ILE 39 + H ILE 39 OK 88 100 - 88 - 4.6=38, 2.9/754=24...(15) HG12 ILE 16 + H ILE 39 OK 19 100 - 19 - 5342/3.6=3, 5348/3.6=3...(9) QB ALA 98 - H ILE 39 lone 9 85 - 10 - 5348/3.6=2, 6989/4.6=2...(5) HG3 LYS 35 - H ILE 39 lone 7 85 - 8 - 1967/3.0=1, 1981/4.0=1...(4) QG2 THR 26 - H ILE 39 lone 2 83 - 2 - Peak 758 from nnoeabs.peaks (0.91, 8.12, 117.46 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.94: * QD1 ILE 39 + H ILE 39 OK 86 100 - 86 - 5.0=29, 2.1/757=23...(16) QG2 ILE 39 + H ILE 39 OK 59 65 - 90 - 4.0=58, 2.1/754=30...(16) QG2 ILE 27 - H ILE 39 lone 4 92 - 4 - 4930/4.7=2 Peak 759 from nnoeabs.peaks (8.71, 8.71, 131.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + H ILE 40 OK 100 100 - 100 Peak 760 from nnoeabs.peaks (3.79, 8.71, 131.84 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + H ILE 40 OK 100 100 - 100 - 3.0=100 Peak 761 from nnoeabs.peaks (1.68, 8.71, 131.84 ppm; 2.91 A): 2 out of 18 assignments used, quality = 0.88: * HB ILE 40 + H ILE 40 OK 75 100 - 75 - 3.9=40, 3.0/764=17...(13) HG12 ILE 39 + H ILE 40 OK 51 97 - 53 - 3.8/4150=12, 3.2/4152=12...(9) QB ALA 79 - H ILE 40 lone 8 93 - 9 - 2.9/160=2 HD2 LYS 94 - H ILE 40 lone 8 100 - 8 - 3.4/6871=2, 3.4/6872=2 HD3 LYS 94 - H ILE 40 lone 8 100 - 8 - 3.4/6871=2, 3.4/6872=2 HD3 LYS 35 - H ILE 40 lone 7 100 - 7 - 2041/4.7=2, 2027/4.6=1 HG12 ILE 27 - H ILE 40 lone 6 73 - 8 - 3.8/4410=2, 3.2/4930=2 HD3 LYS 44 - H ILE 40 lone 3 100 - 3 - HD2 LYS 44 - H ILE 40 lone 3 100 - 3 - HD2 LYS 61 - H ILE 40 lone 3 100 - 3 - HD3 LYS 61 - H ILE 40 lone 3 100 - 3 - HD2 LYS 77 - H ILE 40 lone 2 83 - 3 - HD3 LYS 45 - H ILE 40 lone 2 85 - 2 - HD2 LYS 45 - H ILE 40 lone 2 81 - 2 - HD3 LYS 63 - H ILE 40 lone 1 100 - 1 - HG2 ARG 57 - H ILE 40 lone 1 100 - 1 - HG3 ARG 57 - H ILE 40 lone 1 100 - 1 - HB3 LYS 61 - H ILE 40 lone 1 73 - 1 - Peak 762 from nnoeabs.peaks (0.82, 8.71, 131.84 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.98: * QG2 ILE 40 + H ILE 40 OK 98 100 - 98 - 4.0=88, 3.2/764=29...(16) QG1 VAL 30 - H ILE 40 OK 19 71 - 28 - 2.1/4108=6, 3.9/1082=6...(6) QG2 ILE 16 - H ILE 40 OK 13 93 - 14 - 3.2/165=4, 170/4.6=2...(4) QD1 ILE 93 - H ILE 40 OK 11 63 - 17 - 3.1/765=3, 3.2/162=3...(4) QD2 LEU 62 - H ILE 40 lone 7 78 - 8 - 7100/4.7=2 QG2 ILE 80 - H ILE 40 poor 7 63 - 10 - ~4471=2, ~6520=2...(5) QG2 VAL 25 - H ILE 40 lone 6 100 - 6 - 2042/4.7=1 QG1 VAL 25 - H ILE 40 lone 4 73 - 6 - Peak 763 from nnoeabs.peaks (1.64, 8.71, 131.84 ppm; 3.25 A): 2 out of 9 assignments used, quality = 0.86: * HG12 ILE 40 + H ILE 40 OK 83 100 - 83 - 4.6=36, 1.8/764=28...(12) HB2 MET 50 + H ILE 40 OK 19 97 - 19 - 5696/4.6=10, 5663/4.0=4...(4) HD2 LYS 41 - H ILE 40 poor 10 93 - 11 - 2106/4.6=4, 2008/3.0=3, ~2008=2 HD3 LYS 41 - H ILE 40 poor 10 93 - 11 - 2106/4.6=4, 2008/3.0=3, ~2008=2 HG12 ILE 27 - H ILE 40 poor 10 87 - 11 - 3.8/4410=3, 3.2/4930=3, 2025=1 HB VAL 18 - H ILE 40 lone 8 100 - 8 - 2.1/4061=4, 3.0/4059=2 QB ALA 79 - H ILE 40 lone 4 63 - 7 - 2.9/160=2, ~1185=1 HG3 GLN 19 - H ILE 40 lone 3 99 - 3 - HB3 LYS 61 - H ILE 40 lone 1 87 - 2 - Peak 764 from nnoeabs.peaks (0.53, 8.71, 131.84 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.93: * HG13 ILE 40 + H ILE 40 OK 93 100 - 93 - 4.6=55, 2009/3.0=29...(14) Peak 765 from nnoeabs.peaks (0.75, 8.71, 131.84 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.95: * QD1 ILE 40 + H ILE 40 OK 95 100 - 95 - 4.7=58, 2.1/764=37...(16) QG2 ILE 93 - H ILE 40 OK 13 63 - 21 - 2.1/162=4, 3.2/6796=4...(7) QD1 LEU 53 - H ILE 40 lone 8 83 - 10 - 2024/4.0=2, 2010/3.0=2 Peak 766 from nnoeabs.peaks (8.68, 8.68, 130.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 41 + H LYS 41 OK 100 100 - 100 Peak 767 from nnoeabs.peaks (4.06, 8.68, 130.16 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 41 + H LYS 41 OK 100 100 - 100 - 3.0=100 Peak 768 from nnoeabs.peaks (1.47, 8.68, 130.16 ppm; 3.25 A): 3 out of 8 assignments used, quality = 0.93: * HB2 LYS 41 + H LYS 41 OK 86 100 - 86 - 4.0=52, 1.8/769=27...(22) QB ALA 31 + H LYS 41 OK 34 99 - 34 - 5436/4.1=5, 5431/3.6=4...(8) HB ILE 51 + H LYS 41 OK 23 96 - 24 - 3.0/5469=4, 5750/5456=4...(6) QG2 THR 67 - H LYS 41 lone 8 89 - 9 - 5436/4.1=1, 5431/3.6=1 HG2 LYS 44 - H LYS 41 lone 7 100 - 6 - HG12 ILE 80 - H LYS 41 lone 7 89 - 7 - 6520/3.6=2 HG2 LYS 86 - H LYS 41 lone 4 68 - 5 - HG3 LYS 94 - H LYS 41 lone 3 63 - 5 - Peak 769 from nnoeabs.peaks (1.20, 8.68, 130.16 ppm; 3.28 A): 3 out of 4 assignments used, quality = 0.90: * HB3 LYS 41 + H LYS 41 OK 87 100 - 87 - 4.0=53, 1.8/2056=19...(22) HG13 ILE 16 + H LYS 41 OK 11 76 - 15 - 7175/5485=3, 5432/3.6=3...(4) HG13 ILE 37 + H LYS 41 OK 11 89 - 12 - ~5274=2, 5432/3.6=2 QG2 THR 59 - H LYS 41 lone 3 63 - 4 - Peak 770 from nnoeabs.peaks (1.40, 8.68, 130.16 ppm; 4.03 A): 1 out of 7 assignments used, quality = 0.95: * HG2 LYS 41 + H LYS 41 OK 95 100 - 95 - 4.9=55, 3.0/769=29...(21) HG3 LYS 45 - H LYS 41 OK 32 100 - 32 - 1.8/771=7, 2076=6...(9) QB ALA 78 - H LYS 41 OK 14 100 - 14 - 6454/4.0=3, 2050/3.0=2...(4) HG2 LYS 61 - H LYS 41 poor 10 76 - 13 - 2076=2, 1.8/2076=2...(5) HG3 LYS 61 - H LYS 41 poor 9 73 - 13 - 2076=2, 1.8/2076=2...(5) HD3 LYS 86 - H LYS 41 poor 8 73 - 10 - 2050/3.0=2, 3.0/771=2, 178/4.6=1 HB3 LEU 53 - H LYS 41 lone 5 98 - 5 - 3.0/771=1 Peak 771 from nnoeabs.peaks (1.51, 8.68, 130.16 ppm; 3.29 A): 2 out of 9 assignments used, quality = 0.84: * HG3 LYS 41 + H LYS 41 OK 79 100 - 80 - 4.9=30, 3.0/769=20...(16) HG2 LYS 45 + H LYS 41 OK 20 99 - 21 - 1.8/770=5, 2051/3.0=4...(8) HG2 LYS 86 - H LYS 41 lone 7 95 - 7 - 2051/3.0=2, 2061/4.0=1 HG13 ILE 93 - H LYS 41 lone 7 95 - 7 - 2051/3.0=1, 2086=1, 2.1/170=1 HG2 LYS 94 - H LYS 41 lone 7 100 - 6 - 2051/3.0=1 HG LEU 53 - H LYS 41 lone 4 98 - 4 - HB3 LYS 94 - H LYS 41 lone 3 60 - 5 - HB3 LEU 62 - H LYS 41 lone 2 87 - 2 - HB3 LYS 63 - H LYS 41 lone 1 81 - 1 - Peak 773 from nnoeabs.peaks (1.63, 8.68, 130.16 ppm; 3.79 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 41 + H LYS 41 OK 88 100 - 88 - 5.8=27, 3.8/769=21...(26) * HD3 LYS 41 + H LYS 41 OK 88 100 - 88 - 5.8=27, 3.8/769=21...(26) HG12 ILE 40 + H LYS 41 OK 78 93 - 84 - 1.8/172=30, 3.8/168=25...(16) HB2 MET 50 + H LYS 41 OK 51 73 - 69 - 5696=16, 1.8/5697=14...(17) HB VAL 18 - H LYS 41 OK 10 97 - 10 - ~5459=1, 6138/5456=1...(4) QB ALA 76 - H LYS 41 poor 9 68 - 14 - 6393/5485=4, 6402/6215=3 HG3 GLN 19 - H LYS 41 lone 2 81 - 2 - Peak 776 from nnoeabs.peaks (8.47, 8.47, 118.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 42 + H THR 42 OK 100 100 - 100 H THR 15 + H THR 15 OK 51 51 - 100 Peak 777 from nnoeabs.peaks (4.38, 8.47, 118.31 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 42 + H THR 42 OK 100 100 - 100 - 3.0=100 Peak 778 from nnoeabs.peaks (3.73, 8.47, 118.31 ppm; 3.14 A): 2 out of 10 assignments used, quality = 0.74: * HB THR 42 + H THR 42 OK 70 100 - 70 - 4.0=47, 2.1/2144=15...(7) HA VAL 30 + H THR 42 OK 13 92 - 14 - 5470/3.6=3, 7084/4.6=2...(6) HB2 SER 69 - H THR 15 poor 8 29 - 30 - ~6206=7, ~4552=7...(7) HB2 SER 69 - H THR 42 lone 5 57 - 9 - 5473/4.6=3, 6190/4.6=2 HA2 GLY 64 - H THR 42 lone 5 95 - 5 - 5980=1 HB THR 42 - H THR 15 lone 5 62 - 7 - 2140=3, 2.1/2144=1, 4172/4.6=1 HA2 GLY 20 - H THR 42 lone 4 100 - 4 - HA2 GLY 20 - H THR 15 lone 2 61 - 4 - ~4764=1, 2.9/1072=1 HA2 GLY 64 - H THR 15 lone 2 54 - 4 - HA VAL 30 - H THR 15 lone 2 52 - 3 - Peak 779 from nnoeabs.peaks (0.88, 8.47, 118.31 ppm; 3.56 A): 3 out of 12 assignments used, quality = 0.92: * QG2 THR 42 + H THR 42 OK 89 100 - 89 - 4.0=71, 2.1/2140=26...(7) QG2 ILE 39 + H THR 42 OK 20 97 - 21 - 5459/3.6=4, 5379=4...(9) QD1 ILE 51 + H THR 42 OK 13 100 - 13 - 5709/5506=2, 5459/3.6=2...(5) QG1 VAL 18 - H THR 42 lone 9 100 - 9 - 5459/3.6=2, 4687=2 QG2 ILE 39 - H THR 15 poor 8 57 - 13 - 5379=3, 5375/3.6=3...(5) QG2 VAL 30 - H THR 42 poor 7 63 - 11 - 3.2/778=3, 4.2/174=2 QG2 ILE 37 - H THR 42 lone 6 68 - 9 - 3.2/177=2, 3.3/5324=1 QG2 THR 42 - H THR 15 lone 6 62 - 9 - 2144=3, 2.1/2140=2, 4173/4.6=1 QD1 ILE 51 - H THR 15 lone 4 62 - 6 - 5738/4.6=2 QG1 VAL 18 - H THR 15 lone 3 61 - 5 - QG2 VAL 30 - H THR 15 lone 2 32 - 6 - ~4564=1 QG2 ILE 37 - H THR 15 lone 2 35 - 5 - 4.4/4540=1 Peak 780 from nnoeabs.peaks (8.81, 8.81, 124.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 43 + H ASN 43 OK 100 100 - 100 Peak 781 from nnoeabs.peaks (4.53, 8.81, 124.15 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 43 + H ASN 43 OK 100 100 - 100 - 2.9=100 Peak 782 from nnoeabs.peaks (3.27, 8.81, 124.15 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.79: * HB2 ASN 43 + H ASN 43 OK 79 100 - 80 - 4.0=54, 1.8/783=30...(11) Peak 783 from nnoeabs.peaks (2.55, 8.81, 124.15 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.85: * HB3 ASN 43 + H ASN 43 OK 85 100 - 85 - 4.0=65, 1.8/782=39...(11) HB2 TRP 82 - H ASN 43 lone 3 97 - 3 - HB2 ASN 13 - H ASN 43 lone 2 76 - 3 - HB3 ASN 14 - H ASN 43 lone 1 57 - 2 - 4.6/1067=1 Peak 786 from nnoeabs.peaks (8.31, 8.31, 117.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 45 + H LYS 45 OK 100 100 - 100 Peak 787 from nnoeabs.peaks (4.24, 8.31, 117.32 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 45 + H LYS 45 OK 100 100 - 100 - 3.0=100 Peak 788 from nnoeabs.peaks (1.95, 8.31, 117.32 ppm; 3.11 A): 2 out of 9 assignments used, quality = 0.91: * HB2 LYS 45 + H LYS 45 OK 71 100 - 71 - 4.0=45, 4.0/1095=13...(13) HB3 LYS 45 + H LYS 45 OK 71 100 - 71 - 4.0=45, 4.0/1095=13...(13) HG3 PRO 49 - H LYS 45 lone 5 97 - 5 - 7089/3.6=2 HB VAL 95 - H LYS 45 lone 2 100 - 2 - HB3 GLU 28 - H LYS 45 lone 2 63 - 4 - 3.0/4415=2 HB2 LYS 77 - H LYS 45 lone 2 63 - 3 - HG3 PRO 73 - H LYS 45 lone 2 100 - 2 - HB2 GLU 65 - H LYS 45 lone 1 65 - 1 - HG2 GLN 19 - H LYS 45 lone 1 71 - 1 - Peak 789 from nnoeabs.peaks (1.95, 8.31, 117.32 ppm; 3.11 A): 2 out of 9 assignments used, quality = 0.91: HB2 LYS 45 + H LYS 45 OK 71 100 - 71 - 4.0=45, 4.0/1095=13...(13) * HB3 LYS 45 + H LYS 45 OK 71 100 - 71 - 4.0=45, 4.0/1095=13...(13) HG3 PRO 49 - H LYS 45 lone 5 97 - 5 - 7089/3.6=2 HB VAL 95 - H LYS 45 lone 2 100 - 2 - HB3 GLU 28 - H LYS 45 lone 2 63 - 4 - 3.0/4415=2 HB2 LYS 77 - H LYS 45 lone 2 63 - 3 - HG3 PRO 73 - H LYS 45 lone 2 100 - 2 - HB2 GLU 65 - H LYS 45 lone 1 65 - 1 - HG2 GLN 19 - H LYS 45 lone 1 71 - 1 - Peak 790 from nnoeabs.peaks (1.51, 8.31, 117.32 ppm; 4.02 A): 2 out of 10 assignments used, quality = 0.87: * HG2 LYS 45 + H LYS 45 OK 85 100 - 86 - 4.9=56, 3.0/789=17...(16) HB3 LYS 63 + H LYS 45 OK 10 93 - 11 - 1.8/4261=2, 3.9/1107=1 HG2 LYS 94 - H LYS 45 lone 9 98 - 9 - HG3 LYS 41 - H LYS 45 lone 8 99 - 8 - 2277=2, 1.8/791=2, 4186/4.6=1 HB3 LYS 94 - H LYS 45 lone 6 78 - 8 - 3868/4.9=1 HB3 LEU 62 - H LYS 45 lone 4 97 - 4 - HG2 LYS 86 - H LYS 45 lone 4 83 - 5 - 201/4.6=2, 3.0/791=1 HG13 ILE 93 - H LYS 45 lone 3 99 - 3 - 201/4.6=1 HD2 LYS 86 - H LYS 45 lone 3 65 - 5 - 201/4.6=2, 1.8/791=1 HG LEU 53 - H LYS 45 lone 3 90 - 3 - Peak 791 from nnoeabs.peaks (1.40, 8.31, 117.32 ppm; 4.41 A): 1 out of 7 assignments used, quality = 0.93: * HG3 LYS 45 + H LYS 45 OK 93 100 - 93 - 4.9=74, 1.8/790=27...(15) HG2 LYS 61 - H LYS 45 OK 24 87 - 28 - 2287=4, 1.8/2287=3...(11) HG3 LYS 61 - H LYS 45 OK 23 85 - 28 - 2287=4, 1.8/2287=3...(11) QB ALA 78 - H LYS 45 OK 21 100 - 20 - 202/4.6=4, 4461/3.6=3...(8) HG2 LYS 41 - H LYS 45 lone 9 100 - 9 - 1.8/790=3, 2287=1, 202/4.6=1 HD3 LYS 86 - H LYS 45 lone 7 85 - 8 - 202/4.6=3, 1.8/192=2, 3.0/790=1 HB3 LEU 53 - H LYS 45 lone 4 93 - 4 - Peak 792 from nnoeabs.peaks (1.70, 8.31, 117.32 ppm; 4.66 A): 4 out of 17 assignments used, quality = 1.00: * HD2 LYS 45 + H LYS 45 OK 87 100 - 87 - 6.3=41, 2.9/790=24...(20) HD3 LYS 45 + H LYS 45 OK 87 100 - 87 - 6.3=41, 2.9/790=24...(20) HD3 LYS 44 + H LYS 45 OK 49 81 - 62 - 3.0/192=24, 3.8/189=13...(15) HD2 LYS 44 + H LYS 45 OK 48 78 - 62 - 3.0/192=24, 3.8/189=13...(15) HD3 LYS 61 - H LYS 45 OK 25 78 - 33 - 3.0/791=5, 3.0/791=4...(14) HD2 LYS 61 - H LYS 45 OK 25 78 - 33 - 3.0/791=5, 3.0/791=4...(14) HD3 LYS 63 - H LYS 45 OK 12 78 - 15 - 3.9/790=2, 3.9/4261=2, ~2937=1 HD3 LYS 94 - H LYS 45 OK 11 68 - 17 - 2.9/790=2, 3.4/192=2, 2284/4.9=1 HD2 LYS 94 - H LYS 45 OK 11 68 - 17 - 2.9/790=2, 3.4/192=2, 2284/4.9=1 HD2 LYS 77 - H LYS 45 lone 8 100 - 8 - 3.0/192=1, 3.0/192=1, 1.8/189=1 HB ILE 40 - H LYS 45 lone 5 81 - 6 - HB2 LEU 53 - H LYS 45 lone 5 89 - 5 - 1.8/791=1 HD3 LYS 35 - H LYS 45 lone 5 87 - 5 - HB ILE 80 - H LYS 45 lone 4 89 - 4 - HG12 ILE 39 - H LYS 45 lone 4 97 - 4 - HG2 ARG 57 - H LYS 45 lone 2 81 - 3 - HG3 ARG 57 - H LYS 45 lone 2 76 - 3 - Peak 793 from nnoeabs.peaks (1.70, 8.31, 117.32 ppm; 4.72 A): 4 out of 17 assignments used, quality = 1.00: * HD3 LYS 45 + H LYS 45 OK 88 100 - 88 - 6.3=43, 2.9/790=24...(20) HD2 LYS 45 + H LYS 45 OK 88 100 - 88 - 6.3=43, 2.9/790=24...(20) HD3 LYS 44 + H LYS 45 OK 53 85 - 63 - 3.0/192=24, 3.8/189=13...(15) HD2 LYS 44 + H LYS 45 OK 52 83 - 63 - 3.0/192=24, 3.8/189=13...(15) HD3 LYS 61 - H LYS 45 OK 28 83 - 34 - 3.0/791=5, 3.0/791=4...(16) HD2 LYS 61 - H LYS 45 OK 28 83 - 34 - 3.0/791=5, 3.0/791=4...(16) HD3 LYS 63 - H LYS 45 OK 13 83 - 16 - 3.9/790=2, 3.9/4261=2, ~2937=1 HD2 LYS 94 - H LYS 45 OK 13 73 - 17 - 2.9/790=3, 3.4/192=2, 2284/4.9=1 HD3 LYS 94 - H LYS 45 OK 13 73 - 17 - 2.9/790=3, 3.4/192=2, 2284/4.9=1 HD2 LYS 77 - H LYS 45 lone 8 100 - 8 - 3.0/192=1, 3.0/192=1, 1.8/189=1 HB ILE 40 - H LYS 45 lone 6 85 - 7 - 3.2/5398=1 HD3 LYS 35 - H LYS 45 lone 5 90 - 6 - HB2 LEU 53 - H LYS 45 lone 5 85 - 5 - 1.8/791=1, 4.4/5550=1 HG12 ILE 39 - H LYS 45 lone 4 98 - 4 - HB ILE 80 - H LYS 45 lone 4 85 - 4 - HG2 ARG 57 - H LYS 45 lone 3 85 - 3 - HG3 ARG 57 - H LYS 45 lone 3 81 - 3 - Peak 796 from nnoeabs.peaks (7.42, 7.42, 105.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + H THR 46 OK 100 100 - 100 Peak 797 from nnoeabs.peaks (4.47, 7.42, 105.38 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H THR 46 OK 100 100 - 100 - 2.9=100 Peak 798 from nnoeabs.peaks (4.39, 7.42, 105.38 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.96: * HB THR 46 + H THR 46 OK 96 100 - 96 - 4.1=90, 2.1/799=36...(8) HA PRO 74 - H THR 46 OK 12 97 - 12 - 4451=3, 3.6/5555=2, 3.5/1116=2 HA PRO 73 - H THR 46 OK 11 100 - 10 - 2.5/5555=3, 4.5/4451=2 HA THR 42 - H THR 46 lone 7 96 - 8 - 5590/5586=2, 5522/5554=2 HA SER 29 - H THR 46 lone 5 99 - 5 - 3.0/5556=2, 4417/4.6=1 HA ASP 71 - H THR 46 lone 3 83 - 3 - HA TRP 82 - H THR 46 lone 2 57 - 3 - 3.0/5553=2 HA LEU 62 - H THR 46 lone 1 60 - 2 - HA ALA 98 - H THR 46 lone 1 81 - 1 - Peak 799 from nnoeabs.peaks (1.13, 7.42, 105.38 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.84: * QG2 THR 46 + H THR 46 OK 84 100 - 84 - 4.0=55, 2346/2.9=25...(12) HB3 LEU 21 - H THR 46 lone 5 68 - 7 - 2.9/5555=1 HB2 LEU 21 - H THR 46 lone 4 63 - 6 - 2.9/5555=1 QG2 THR 15 - H THR 46 lone 3 63 - 4 - HG LEU 21 - H THR 46 lone 2 65 - 3 - 4.3/5555=1 Peak 800 from nnoeabs.peaks (8.64, 8.64, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + H GLY 47 OK 100 100 - 100 Peak 801 from nnoeabs.peaks (3.67, 8.64, 111.48 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.97: * HA2 GLY 47 + H GLY 47 OK 97 100 - 97 - 3.0=96, 3.6/211=17...(5) HD3 PRO 49 - H GLY 47 OK 16 99 - 16 - 4.8/211=10, 4.8/5580=3 HD2 PRO 74 - H GLY 47 lone 5 92 - 5 - 3.0/5578=2 HA LEU 21 - H GLY 47 lone 4 92 - 4 - HB2 SER 69 - H GLY 47 lone 2 68 - 2 - Peak 802 from nnoeabs.peaks (4.18, 8.64, 111.48 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 47 + H GLY 47 OK 100 100 - 100 - 3.0=100 Peak 803 from nnoeabs.peaks (7.66, 7.66, 118.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 48 + H GLN 48 OK 100 100 - 100 Peak 804 from nnoeabs.peaks (4.67, 7.66, 118.77 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + H GLN 48 OK 100 100 - 100 - 3.0=100 Peak 805 from nnoeabs.peaks (1.81, 7.66, 118.77 ppm; 3.02 A): 1 out of 7 assignments used, quality = 0.82: * HB2 GLN 48 + H GLN 48 OK 82 100 - 82 - 3.8=48, 3.0/807=20...(13) HB ILE 39 - H GLN 48 lone 5 90 - 6 - 2.1/5610=2 HB ILE 93 - H GLN 48 lone 5 100 - 5 - HG2 GLU 87 - H GLN 48 lone 2 99 - 2 - HB2 LYS 94 - H GLN 48 lone 2 90 - 2 - HB3 GLU 65 - H GLN 48 lone 1 87 - 1 - HG LEU 62 - H GLN 48 lone 1 100 - 1 - Peak 806 from nnoeabs.peaks (2.19, 7.66, 118.77 ppm; 3.36 A): 2 out of 8 assignments used, quality = 0.94: * HB3 GLN 48 + H GLN 48 OK 91 100 - 91 - 3.8=67, 1.8/805=33...(9) HB2 PRO 49 + H GLN 48 OK 34 71 - 48 - 3.0/5594=12, 3.0/212=10...(7) HG3 GLU 87 - H GLN 48 lone 3 100 - 3 - HB VAL 30 - H GLN 48 lone 2 100 - 2 - HB2 PHE 88 - H GLN 48 lone 1 87 - 2 - HG2 GLU 65 - H GLN 48 lone 1 100 - 1 - HG3 PRO 92 - H GLN 48 lone 1 78 - 1 - HB3 PRO 92 - H GLN 48 lone 0 68 - 1 - Peak 807 from nnoeabs.peaks (2.34, 7.66, 118.77 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.79: * HG2 GLN 48 + H GLN 48 OK 79 100 - 79 - 1.8/808=30, 5.0=27...(12) HG2 PRO 73 - H GLN 48 lone 6 95 - 6 - 3.8/5590=2, 6315/3.6=2 HG2 GLU 23 - H GLN 48 lone 0 99 - 0 - HG3 GLU 58 - H GLN 48 lone 0 57 - 0 - Peak 808 from nnoeabs.peaks (2.41, 7.66, 118.77 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.78: * HG3 GLN 48 + H GLN 48 OK 78 100 - 79 - 1.8/807=32, 5.0=26...(14) HG3 MET 50 - H GLN 48 poor 7 57 - 12 - 5528/5608=3, 5534/5607=2...(4) HB3 PRO 74 - H GLN 48 lone 4 57 - 7 - 2.3/5590=2, 3.0/212=1 HG2 GLN 36 - H GLN 48 lone 1 96 - 1 - Peak 811 from nnoeabs.peaks (8.88, 8.88, 124.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 50 + H MET 50 OK 100 100 - 100 Peak 812 from nnoeabs.peaks (4.43, 8.88, 124.20 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 50 + H MET 50 OK 100 100 - 100 - 3.0=100 Peak 813 from nnoeabs.peaks (1.65, 8.88, 124.20 ppm; 3.18 A): 5 out of 11 assignments used, quality = 0.94: * HB2 MET 50 + H MET 50 OK 86 100 - 86 - 4.0=49, 1.8/2458=22...(15) HG12 ILE 40 + H MET 50 OK 25 97 - 26 - 3.2/5385=17, 4159/5483=2...(5) HG12 ILE 27 + H MET 50 OK 22 99 - 22 - 3.2/5658=12, 4938/4.6=5, ~5659=4 HD3 LYS 41 + H MET 50 OK 14 73 - 20 - 5.8/5483=5, 3.8/5656=2...(9) HD2 LYS 41 + H MET 50 OK 14 73 - 20 - 5.8/5483=5, 3.8/5656=2...(9) QB ALA 79 - H MET 50 lone 3 87 - 3 - HB3 LYS 61 - H MET 50 lone 2 99 - 2 - HB VAL 18 - H MET 50 lone 2 95 - 2 - HD2 LYS 94 - H MET 50 lone 2 65 - 2 - HD3 LYS 94 - H MET 50 lone 2 65 - 2 - HG3 GLN 19 - H MET 50 lone 1 100 - 1 - Peak 814 from nnoeabs.peaks (2.03, 8.88, 124.20 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.98: * HB3 MET 50 + H MET 50 OK 93 100 - 93 - 4.0=64, 1.8/2451=28...(16) QE MET 50 + H MET 50 OK 78 100 - 79 - 2479=23, 3.3/815=18...(16) HG2 PRO 49 - H MET 50 OK 37 71 - 52 - 3.8/214=23, 2.3/220=12...(7) HB2 GLU 23 - H MET 50 lone 4 76 - 5 - 2458=1 HB2 LYS 35 - H MET 50 lone 4 78 - 5 - 5437/5385=1 HG2 PRO 92 - H MET 50 lone 2 100 - 2 - HB3 GLN 36 - H MET 50 lone 1 95 - 1 - Peak 815 from nnoeabs.peaks (2.27, 8.88, 124.20 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.90: * HG2 MET 50 + H MET 50 OK 88 100 - 88 - 5.0=33, 1.8/2472=23...(14) HB3 LYS 86 + H MET 50 OK 14 98 - 14 - 2465=5, 2448/3.0=3...(5) HB3 PRO 73 - H MET 50 poor 9 71 - 12 - 2.3/7052=4, 3.8/220=3...(5) HG2 GLU 28 - H MET 50 lone 6 97 - 7 - 225/4.6=2, 5003/5658=1 HG3 GLU 23 - H MET 50 lone 3 78 - 4 - HG3 GLN 36 - H MET 50 lone 1 57 - 1 - Peak 816 from nnoeabs.peaks (2.38, 8.88, 124.20 ppm; 3.95 A): 1 out of 5 assignments used, quality = 0.96: * HG3 MET 50 + H MET 50 OK 96 100 - 96 - 5.0=49, 1.8/815=32...(16) HB3 ASP 71 - H MET 50 OK 20 100 - 20 - 226/4.6=4, 2449/3.0=4...(7) HB3 PRO 74 - H MET 50 OK 16 100 - 16 - 3.0/220=4, 2.3/7052=3...(6) HG2 PRO 73 - H MET 50 OK 11 78 - 13 - 3.8/7052=3, 2.3/815=3...(4) HG3 GLN 48 - H MET 50 lone 3 57 - 6 - 5603/220=1, 5615/5658=1 Peak 817 from nnoeabs.peaks (2.03, 8.88, 124.20 ppm; 3.48 A): 2 out of 8 assignments used, quality = 0.98: HB3 MET 50 + H MET 50 OK 93 100 - 93 - 4.0=64, 1.8/2451=29...(16) * QE MET 50 + H MET 50 OK 79 100 - 79 - 2479=24, 3.3/815=18...(16) HG2 PRO 49 - H MET 50 OK 30 60 - 50 - 3.8/214=23, 2.3/220=12...(7) HB2 LYS 35 - H MET 50 lone 4 87 - 5 - 5437/5385=1 HB2 GLU 23 - H MET 50 lone 4 65 - 5 - 2458=1 HB3 GLU 23 - H MET 50 lone 2 63 - 3 - HG2 PRO 92 - H MET 50 lone 2 99 - 2 - HB3 GLN 36 - H MET 50 lone 1 89 - 1 - Peak 818 from nnoeabs.peaks (7.71, 7.71, 126.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 51 + H ILE 51 OK 100 100 - 100 Peak 819 from nnoeabs.peaks (4.80, 7.71, 126.17 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 51 + H ILE 51 OK 100 100 - 100 - 3.0=100 Peak 820 from nnoeabs.peaks (1.46, 7.71, 126.17 ppm; 2.97 A): 4 out of 10 assignments used, quality = 0.95: * HB ILE 51 + H ILE 51 OK 82 100 - 82 - 3.8=47, 2.1/821=19...(19) HG13 ILE 51 + H ILE 51 OK 52 73 - 71 - 3.0/2493=20, 5.2=19...(12) HB2 LYS 41 + H ILE 51 OK 23 96 - 24 - 5661/4.6=4, 1.8/5729=4...(9) QB ALA 31 + H ILE 51 OK 19 99 - 19 - 7178/4933=3, 5090/4.9=2...(9) QG2 THR 67 - H ILE 51 lone 10 100 - 10 - 6080/3.0=3, 230/4.6=2 HG12 ILE 80 - H ILE 51 lone 6 100 - 6 - HG3 LYS 94 - H ILE 51 lone 5 90 - 5 - 4.9/1099=2 HG2 LYS 63 - H ILE 51 lone 3 73 - 4 - 7102/3.0=1, ~7102=1 HG3 LYS 63 - H ILE 51 lone 3 73 - 4 - 7102/3.0=1, ~7102=1 HG2 LYS 44 - H ILE 51 lone 3 92 - 3 - Peak 821 from nnoeabs.peaks (0.72, 7.71, 126.17 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.97: * QG2 ILE 51 + H ILE 51 OK 97 100 - 97 - 4.0=80, 2.1/2493=37...(16) QG2 ILE 93 - H ILE 51 OK 14 100 - 14 - 231/4.6=5, 2524/4.9=4 Peak 822 from nnoeabs.peaks (1.02, 7.71, 126.17 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.95: * HG12 ILE 51 + H ILE 51 OK 95 100 - 95 - 5.2=49, 3.0/2493=36...(10) QD1 LEU 62 - H ILE 51 OK 15 87 - 17 - 232/4.6=6, 2504/4.0=5...(4) QG2 THR 55 - H ILE 51 OK 11 95 - 12 - 2642/3.0=4, 2504/4.0=3...(4) Peak 823 from nnoeabs.peaks (1.43, 7.71, 126.17 ppm; 2.98 A): 2 out of 10 assignments used, quality = 0.89: * HG13 ILE 51 + H ILE 51 OK 73 100 - 73 - 3.0/2493=20, 5.2=19...(10) HB ILE 51 + H ILE 51 OK 59 73 - 81 - 3.8=47, 2.1/821=19...(15) QG2 THR 67 - H ILE 51 lone 6 85 - 8 - 6080/3.0=3, 233/4.6=2 HD3 LYS 86 - H ILE 51 lone 6 96 - 6 - 2514=2, 3.4/4207=2 HG3 LYS 94 - H ILE 51 lone 5 99 - 5 - 4.9/1099=2, 3884/4.6=1 HG3 LYS 63 - H ILE 51 lone 5 100 - 5 - 7102/3.0=2, ~7102=1 HG2 LYS 63 - H ILE 51 lone 5 100 - 5 - 7102/3.0=2, ~7102=1 HG12 ILE 80 - H ILE 51 lone 4 85 - 4 - HG3 LYS 61 - H ILE 51 lone 3 96 - 3 - HG2 LYS 61 - H ILE 51 lone 3 95 - 3 - Peak 824 from nnoeabs.peaks (0.87, 7.71, 126.17 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.93: * QD1 ILE 51 + H ILE 51 OK 93 100 - 93 - 4.9=45, 3.2/2493=30...(16) QG2 THR 42 - H ILE 51 OK 20 100 - 20 - 5509/4.6=12, 5493/4.6=4 QG2 VAL 30 - H ILE 51 OK 13 71 - 19 - 5051/4.0=6, 5660/3.6=2...(6) QG1 VAL 18 - H ILE 51 OK 10 100 - 10 - 2506/4.0=3, 4688/4.6=3 QG2 ILE 39 - H ILE 51 poor 10 93 - 10 - 5369/3.6=2, 6273/226=2...(6) QG2 ILE 37 - H ILE 51 lone 6 76 - 8 - 3.2/5729=2, 5660/3.6=1 QG2 ILE 80 - H ILE 51 lone 4 63 - 7 - 6517/5626=1, 3.2/820=1 Peak 825 from nnoeabs.peaks (8.37, 8.37, 124.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 52 + H ASN 52 OK 100 100 - 100 Peak 826 from nnoeabs.peaks (4.93, 8.37, 124.78 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 52 + H ASN 52 OK 100 100 - 100 - 2.9=100 Peak 827 from nnoeabs.peaks (2.59, 8.37, 124.78 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.92: * HB2 ASN 52 + H ASN 52 OK 72 100 - 72 - 4.0=42, 1.8/2540=13...(11) HB3 ASN 52 + H ASN 52 OK 72 100 - 72 - 4.0=42, 1.8/2534=13...(11) HB2 ASP 71 - H ASN 52 lone 7 100 - 6 - 6247/3.6=3, 5731/4.1=2 HB3 ASP 32 - H ASN 52 lone 1 57 - 3 - Peak 828 from nnoeabs.peaks (2.60, 8.37, 124.78 ppm; 3.01 A): 2 out of 5 assignments used, quality = 0.92: * HB3 ASN 52 + H ASN 52 OK 72 100 - 72 - 4.0=42, 1.8/2534=13...(11) HB2 ASN 52 + H ASN 52 OK 72 100 - 72 - 4.0=42, 1.8/2540=13...(11) HB2 ASP 71 - H ASN 52 lone 6 99 - 6 - 6247/3.6=3, 5731/4.1=2 HB3 ASP 32 - H ASN 52 lone 2 65 - 3 - HB3 ASP 12 - H ASN 52 lone 0 60 - 1 - Peak 831 from nnoeabs.peaks (8.58, 8.58, 122.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + H LEU 53 OK 100 100 - 100 Peak 832 from nnoeabs.peaks (4.70, 8.58, 122.33 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + H LEU 53 OK 100 100 - 100 - 3.0=100 Peak 833 from nnoeabs.peaks (1.72, 8.58, 122.33 ppm; 3.12 A): 1 out of 7 assignments used, quality = 0.83: * HB2 LEU 53 + H LEU 53 OK 83 100 - 83 - 4.0=48, 1.8/834=26...(11) HB ILE 80 - H LEU 53 lone 8 100 - 8 - ~7126=2, ~6521=1...(4) HD2 LYS 35 - H LEU 53 lone 2 78 - 3 - HD2 LYS 45 - H LEU 53 lone 2 89 - 2 - HD3 LYS 45 - H LEU 53 lone 2 85 - 2 - HG12 ILE 39 - H LEU 53 lone 1 63 - 2 - 5769/3.6=2 HD2 LYS 77 - H LEU 53 lone 1 87 - 1 - Peak 834 from nnoeabs.peaks (1.39, 8.58, 122.33 ppm; 3.50 A): 1 out of 6 assignments used, quality = 0.92: * HB3 LEU 53 + H LEU 53 OK 92 100 - 92 - 4.0=67, 1.8/833=34...(11) HG12 ILE 93 - H LEU 53 lone 4 57 - 7 - 2.1/837=3, 1.8/835=2, 4379/4.6=1 HG3 LYS 45 - H LEU 53 lone 3 93 - 3 - 1.8/835=1 HG2 LYS 41 - H LEU 53 lone 1 98 - 1 - QB ALA 78 - H LEU 53 lone 1 97 - 1 - HG12 ILE 37 - H LEU 53 lone 0 63 - 1 - Peak 835 from nnoeabs.peaks (1.50, 8.58, 122.33 ppm; 3.27 A): 1 out of 9 assignments used, quality = 0.84: * HG LEU 53 + H LEU 53 OK 84 100 - 84 - 5.0=27, 2.1/836=24...(12) HB3 LEU 62 - H LEU 53 poor 8 65 - 13 - 3.1/5966=10, 5965/4.6=2 HG13 ILE 93 - H LEU 53 lone 6 78 - 7 - 2.1/837=3, 1.8/834=1, 3874/4.6=1 HG2 LYS 94 - H LEU 53 lone 3 99 - 3 - 4.9/235=2 HG2 LYS 45 - H LEU 53 lone 3 90 - 3 - 1.8/834=1 HG3 LYS 41 - H LEU 53 lone 1 98 - 1 - HG2 LYS 86 - H LEU 53 lone 1 100 - 1 - HB3 LYS 63 - H LEU 53 lone 1 57 - 1 - HG2 LYS 44 - H LEU 53 lone 0 65 - 1 - Peak 836 from nnoeabs.peaks (0.61, 8.58, 122.33 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.98: * QD2 LEU 53 + H LEU 53 OK 98 100 - 98 - 4.6=63, 2551/3.0=35...(17) Peak 837 from nnoeabs.peaks (0.77, 8.58, 122.33 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.94: * QD1 LEU 53 + H LEU 53 OK 94 100 - 94 - 4.6=51, 2.1/836=31...(14) QG1 VAL 25 - H LEU 53 OK 17 76 - 23 - 4910/4.6=14, 4887/3.6=3...(4) QD1 ILE 93 - H LEU 53 OK 12 85 - 14 - 4381/4.6=3, 6815/3.6=2...(6) QD1 ILE 40 - H LEU 53 lone 6 83 - 7 - 4979/4935=1, 5430/3.6=1 Peak 838 from nnoeabs.peaks (7.64, 7.64, 121.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + H TYR 54 OK 100 100 - 100 Peak 839 from nnoeabs.peaks (4.77, 7.64, 121.87 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 54 + H TYR 54 OK 100 100 - 100 - 2.9=100 Peak 840 from nnoeabs.peaks (2.83, 7.64, 121.87 ppm; 3.76 A): 1 out of 4 assignments used, quality = 0.92: * HB2 TYR 54 + H TYR 54 OK 92 100 - 92 - 4.1=79, 1.8/841=33...(5) HB3 TYR 33 - H TYR 54 lone 2 98 - 2 - HB2 PHE 17 - H TYR 54 lone 1 99 - 2 - HB2 ASP 72 - H TYR 54 lone 1 99 - 1 - Peak 841 from nnoeabs.peaks (3.16, 7.64, 121.87 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.99: * HB3 TYR 54 + H TYR 54 OK 99 100 - 99 - 4.1=98, 1.8/840=39...(6) Peak 844 from nnoeabs.peaks (6.85, 7.64, 121.87 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.94: * QE TYR 54 + H TYR 54 OK 92 100 - 92 - 6.5=45, 2.2/845=43...(11) H VAL 25 + H TYR 54 OK 25 99 - 25 - 5786/246=6, 3.6/1521=5...(7) HZ PHE 70 - H TYR 54 lone 3 71 - 4 - 5788/4224=1 Peak 845 from nnoeabs.peaks (7.18, 7.64, 121.87 ppm; 3.89 A): 1 out of 5 assignments used, quality = 0.93: * QD TYR 54 + H TYR 54 OK 93 100 - 93 - 4.6=62, 2.5/840=32...(10) QE PHE 97 - H TYR 54 lone 4 97 - 4 - 5785/246=1 HZ PHE 97 - H TYR 54 lone 2 71 - 3 - H LYS 77 - H TYR 54 lone 1 78 - 1 - HD22 ASN 43 - H TYR 54 lone 1 78 - 1 - Peak 846 from nnoeabs.peaks (8.94, 8.94, 123.86 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ASP 56 + H ASP 56 OK 100 100 - 100 H ALA 66 - H ALA 66 OK 41 41 - 100 Peak 847 from nnoeabs.peaks (4.62, 8.94, 123.86 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 56 + H ASP 56 OK 100 100 - 100 - 3.0=100 Peak 848 from nnoeabs.peaks (3.07, 8.94, 123.86 ppm; 3.15 A): 1 out of 14 assignments used, quality = 0.67: * HB2 ASP 56 + H ASP 56 OK 67 100 - 68 - 4.0=49, 1.8/849=28...(5) HB2 ASP 56 - H ALA 66 lone 3 62 - 5 - 2649=2, 1.8/2653=1 HB2 TYR 33 - H ASP 56 lone 2 73 - 3 - 5863/4.1=1 HE2 LYS 77 - H ASP 56 lone 2 100 - 2 - HE3 LYS 41 - H ASP 56 lone 2 78 - 2 - HB3 TRP 82 - H ASP 56 lone 1 71 - 2 - HE2 LYS 41 - H ASP 56 lone 1 83 - 1 - HE3 LYS 77 - H ASP 56 lone 1 81 - 1 - HE2 LYS 77 - H ALA 66 lone 0 62 - 1 - HB2 TYR 33 - H ALA 66 lone 0 38 - 1 - HE2 LYS 41 - H ALA 66 lone 0 44 - 1 - HE3 LYS 77 - H ALA 66 lone 0 43 - 1 - HE3 LYS 41 - H ALA 66 lone 0 41 - 1 - HB3 TRP 82 - H ALA 66 lone 0 37 - 1 - Peak 849 from nnoeabs.peaks (2.44, 8.94, 123.86 ppm; 3.14 A): 1 out of 8 assignments used, quality = 0.65: * HB3 ASP 56 + H ASP 56 OK 65 100 - 66 - 4.0=49, 1.8/848=28...(4) HE2 LYS 86 - H ASP 56 lone 8 100 - 8 - 2653=3 HB3 ASP 56 - H ALA 66 lone 3 62 - 4 - 2653=1, 1.8/2649=1 HG3 GLU 28 - H ALA 66 lone 1 40 - 3 - HE2 LYS 86 - H ALA 66 lone 1 61 - 1 - HG2 GLN 36 - H ASP 56 lone 1 78 - 1 - HG3 GLU 28 - H ASP 56 lone 1 76 - 1 - HG2 GLN 36 - H ALA 66 lone 0 41 - 1 - Peak 850 from nnoeabs.peaks (8.56, 8.56, 117.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 58 + H GLU 58 OK 100 100 - 100 Peak 851 from nnoeabs.peaks (4.26, 8.56, 117.38 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 58 + H GLU 58 OK 100 100 - 100 - 3.0=100 Peak 852 from nnoeabs.peaks (2.13, 8.56, 117.38 ppm; 3.02 A): 2 out of 8 assignments used, quality = 0.89: * HB2 GLU 58 + H GLU 58 OK 76 100 - 76 - 4.0=43, 1.8/2718=22...(10) HB3 GLU 58 + H GLU 58 OK 54 71 - 76 - 4.0=43, 1.8/2712=23...(10) HB3 LYS 77 - H GLU 58 lone 3 71 - 4 - 4.9/5898=1 HG2 PRO 74 - H GLU 58 lone 2 68 - 3 - 4302/4.6=1 HB2 GLN 36 - H GLU 58 lone 2 81 - 2 - HG3 GLU 65 - H GLU 58 lone 1 100 - 1 - HB3 LYS 35 - H GLU 58 lone 1 60 - 2 - HB2 GLN 19 - H GLU 58 lone 0 85 - 1 - Peak 853 from nnoeabs.peaks (2.16, 8.56, 117.38 ppm; 2.90 A): 2 out of 8 assignments used, quality = 0.86: * HB3 GLU 58 + H GLU 58 OK 72 100 - 72 - 4.0=38, 1.8/2712=21...(10) HB2 GLU 58 + H GLU 58 OK 50 71 - 71 - 4.0=38, 1.8/2718=20...(10) HB2 PRO 73 - H GLU 58 lone 2 99 - 2 - HB3 LYS 35 - H GLU 58 lone 2 100 - 2 - HB3 PRO 92 - H GLU 58 lone 1 95 - 1 - HG3 PRO 92 - H GLU 58 lone 1 89 - 1 - HG3 GLU 65 - H GLU 58 lone 1 83 - 1 - HB2 PHE 88 - H GLU 58 lone 0 81 - 0 - Peak 854 from nnoeabs.peaks (2.24, 8.56, 117.38 ppm; 3.57 A): 2 out of 4 assignments used, quality = 0.89: * HG2 GLU 58 + H GLU 58 OK 85 100 - 85 - 4.9=39, 1.8/855=26...(8) HG3 GLU 23 + H GLU 58 OK 30 92 - 33 - 1.8/855=8, 2710/3.0=7...(9) HB2 PRO 49 - H GLU 58 lone 3 89 - 3 - HG2 GLU 28 - H GLU 58 lone 1 68 - 2 - Peak 855 from nnoeabs.peaks (2.31, 8.56, 117.38 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.90: * HG3 GLU 58 + H GLU 58 OK 86 100 - 86 - 4.9=38, 1.8/854=26...(9) HG2 GLU 23 + H GLU 58 OK 25 78 - 33 - 1.8/854=9, 2730=5...(12) HB3 PRO 73 - H GLU 58 lone 4 92 - 4 - 263/4.6=2 HG3 GLN 36 - H GLU 58 lone 3 97 - 3 - HG2 GLN 48 - H GLU 58 lone 0 57 - 1 - Peak 856 from nnoeabs.peaks (8.06, 8.06, 106.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + H THR 59 OK 100 100 - 100 Peak 857 from nnoeabs.peaks (4.43, 8.06, 106.71 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + H THR 59 OK 100 100 - 100 - 3.0=100 Peak 858 from nnoeabs.peaks (4.32, 8.06, 106.71 ppm; 3.96 A): 1 out of 5 assignments used, quality = 0.99: * HB THR 59 + H THR 59 OK 99 100 - 99 - 4.0=94, 2741/3.0=37...(8) HA LYS 61 - H THR 59 OK 12 60 - 21 - 2.9/5939=15, 266/4.6=4 HA ASP 81 - H THR 59 lone 2 97 - 2 - HA ASP 32 - H THR 59 lone 2 81 - 2 - HA PHE 34 - H THR 59 lone 1 98 - 1 - Peak 859 from nnoeabs.peaks (1.22, 8.06, 106.71 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.83: * QG2 THR 59 + H THR 59 OK 80 100 - 80 - 4.0=43, 2745/3.0=21...(12) HG13 ILE 16 + H THR 59 OK 16 100 - 15 - 5900/4.6=3, 5901/4.6=2...(6) HB3 LYS 41 - H THR 59 lone 5 63 - 7 - 4.8/5908=2, 267/4.6=1 HG3 LYS 86 - H THR 59 lone 3 68 - 5 - 3.9/5905=3 Peak 860 from nnoeabs.peaks (8.43, 8.43, 111.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + H GLY 60 OK 100 100 - 100 Peak 861 from nnoeabs.peaks (3.77, 8.43, 111.14 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 60 + H GLY 60 OK 100 100 - 100 - 3.0=100 Peak 862 from nnoeabs.peaks (4.18, 8.43, 111.14 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 60 + H GLY 60 OK 100 100 - 100 - 3.0=100 Peak 863 from nnoeabs.peaks (7.76, 7.76, 119.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 61 + H LYS 61 OK 100 100 - 100 H ASN 91 + H ASN 91 OK 54 54 - 100 Peak 864 from nnoeabs.peaks (4.35, 7.76, 119.54 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + H LYS 61 OK 100 100 - 100 - 2.9=100 Peak 865 from nnoeabs.peaks (1.84, 7.76, 119.54 ppm; 3.58 A): 1 out of 26 assignments used, quality = 0.98: * HB2 LYS 61 + H LYS 61 OK 98 100 - 98 - 3.6=96, 4246/4.5=17...(15) HB2 PRO 92 - H ASN 91 OK 19 27 - 70 - ~6789=12, ~6786=12...(15) HG LEU 62 - H LYS 61 OK 14 65 - 22 - 5.0/1105=12, ~2873=3...(5) HB2 LYS 94 - H LYS 61 lone 6 90 - 7 - 273/4.5=1 HB2 LYS 44 - H LYS 61 lone 5 78 - 6 - HB3 LYS 44 - H LYS 61 lone 4 71 - 6 - HB2 LYS 61 - H ASN 91 lone 3 56 - 6 - HB ILE 37 - H LYS 61 lone 3 89 - 4 - HB2 PRO 74 - H LYS 61 lone 3 100 - 3 - 3.9/5939=2 HB ILE 16 - H LYS 61 lone 3 83 - 3 - 3.0/5944=1 HD3 LYS 77 - H LYS 61 lone 2 60 - 3 - HB2 LYS 44 - H ASN 91 lone 2 37 - 5 - HB3 GLU 65 - H LYS 61 lone 2 93 - 2 - HB3 LYS 44 - H ASN 91 lone 2 33 - 5 - HB ILE 39 - H LYS 61 lone 1 90 - 1 - HD3 LYS 77 - H ASN 91 lone 1 27 - 4 - HB3 GLU 65 - H ASN 91 lone 1 48 - 2 - HB2 PRO 92 - H LYS 61 lone 1 60 - 2 - HB ILE 39 - H ASN 91 lone 1 45 - 2 - 5365/4.8=1 HB ILE 27 - H LYS 61 lone 1 63 - 1 - HB2 PRO 74 - H ASN 91 lone 1 56 - 1 - HB ILE 37 - H ASN 91 lone 1 44 - 1 - HB ILE 16 - H ASN 91 lone 1 40 - 2 - HB2 LYS 94 - H ASN 91 lone 1 45 - 1 - HG LEU 62 - H ASN 91 lone 0 30 - 2 - HB ILE 27 - H ASN 91 lone 0 28 - 1 - Peak 866 from nnoeabs.peaks (1.66, 7.76, 119.54 ppm; 3.02 A): 3 out of 36 assignments used, quality = 0.91: * HB3 LYS 61 + H LYS 61 OK 77 100 - 77 - 3.6=58, 1.8/865=15...(13) HD3 LYS 61 + H LYS 61 OK 36 76 - 48 - 6.0=13, 3.9/865=8...(16) HD2 LYS 61 + H LYS 61 OK 36 76 - 48 - 6.0=13, 3.9/865=8...(16) HD3 LYS 63 - H LYS 61 poor 8 76 - 11 - 3.0/868=2, 3.0/868=2, 4250/4.5=1 HD2 LYS 44 - H LYS 61 lone 5 76 - 7 - HD2 LYS 94 - H LYS 61 lone 5 85 - 6 - HD3 LYS 94 - H LYS 61 lone 5 85 - 6 - HD3 LYS 44 - H LYS 61 lone 5 73 - 7 - HB3 LYS 61 - H ASN 91 lone 3 56 - 5 - HD3 LYS 35 - H LYS 61 lone 2 65 - 3 - HB2 MET 50 - H LYS 61 lone 2 99 - 2 - QB ALA 79 - H LYS 61 lone 2 97 - 2 - HD3 LYS 61 - H ASN 91 lone 2 36 - 4 - HD2 LYS 61 - H ASN 91 lone 2 36 - 4 - HG3 ARG 57 - H LYS 61 lone 1 78 - 2 - HG2 ARG 57 - H LYS 61 lone 1 73 - 2 - QB ALA 79 - H ASN 91 lone 1 52 - 2 - 4466/3.6=2 HB VAL 18 - H LYS 61 lone 1 81 - 1 - HG12 ILE 27 - H LYS 61 lone 1 100 - 1 - HD2 LYS 44 - H ASN 91 lone 1 36 - 3 - HG12 ILE 40 - H ASN 91 lone 1 43 - 2 - HD3 LYS 44 - H ASN 91 lone 1 34 - 3 - HD3 LYS 63 - H ASN 91 lone 1 36 - 2 - HG12 ILE 40 - H LYS 61 lone 1 87 - 1 - HB ILE 40 - H LYS 61 lone 1 73 - 1 - HG3 GLN 19 - H LYS 61 lone 1 97 - 1 - HB ILE 40 - H ASN 91 lone 1 34 - 2 - HG3 ARG 57 - H ASN 91 lone 1 37 - 1 - HG2 ARG 57 - H ASN 91 lone 1 34 - 1 - HD3 LYS 94 - H ASN 91 lone 0 41 - 1 - HD2 LYS 94 - H ASN 91 lone 0 41 - 1 - HB2 MET 50 - H ASN 91 lone 0 53 - 1 - HG12 ILE 27 - H ASN 91 lone 0 56 - 1 - HD3 LYS 35 - H ASN 91 lone 0 30 - 1 - HG3 GLN 19 - H ASN 91 lone 0 51 - 0 - HB VAL 18 - H ASN 91 lone 0 39 - 1 - Peak 867 from nnoeabs.peaks (1.42, 7.76, 119.54 ppm; 3.06 A): 4 out of 20 assignments used, quality = 0.92: * HG2 LYS 61 + H LYS 61 OK 67 100 - 67 - 4.7=28, 3.0/865=11...(15) HG3 LYS 61 + H LYS 61 OK 67 100 - 67 - 4.7=28, 3.0/865=11...(15) HG2 LYS 63 + H LYS 61 OK 15 95 - 16 - 2794=3, 1.8/2794=2...(5) HG3 LYS 63 + H LYS 61 OK 15 95 - 16 - 2794=3, 1.8/2794=2...(5) HD3 LYS 86 - H LYS 61 lone 6 100 - 6 - 3.0/5942=4 HG13 ILE 51 - H LYS 61 lone 6 95 - 6 - 1.8/5945=3 HG3 LYS 94 - H LYS 61 lone 4 81 - 6 - HG3 LYS 61 - H ASN 91 lone 4 56 - 6 - 2784=1 HG2 LYS 61 - H ASN 91 lone 4 56 - 6 - 2784=1 HG2 LYS 41 - H LYS 61 lone 3 76 - 4 - 3.8/5941=1, 3.0/5944=1 HG3 LYS 45 - H LYS 61 lone 3 87 - 4 - QB ALA 78 - H LYS 61 lone 2 78 - 3 - HG3 LYS 63 - H ASN 91 lone 2 49 - 3 - HG2 LYS 63 - H ASN 91 lone 2 49 - 3 - HD3 LYS 86 - H ASN 91 lone 1 56 - 2 - HG13 ILE 51 - H ASN 91 lone 1 49 - 1 - HG3 LYS 45 - H ASN 91 lone 0 43 - 1 - HG2 LYS 41 - H ASN 91 lone 0 36 - 1 - HG3 LYS 94 - H ASN 91 lone 0 39 - 1 - QB ALA 78 - H ASN 91 lone 0 37 - 1 - Peak 868 from nnoeabs.peaks (1.42, 7.76, 119.54 ppm; 3.06 A): 4 out of 20 assignments used, quality = 0.92: * HG3 LYS 61 + H LYS 61 OK 67 100 - 67 - 4.7=28, 3.0/865=11...(15) HG2 LYS 61 + H LYS 61 OK 67 100 - 67 - 4.7=28, 3.0/865=11...(15) HG2 LYS 63 + H LYS 61 OK 15 96 - 16 - 2794=3, 1.8/2794=2...(5) HG3 LYS 63 + H LYS 61 OK 15 96 - 16 - 2794=3, 1.8/2794=2...(5) HD3 LYS 86 - H LYS 61 lone 6 100 - 6 - 3.0/5942=4 HG13 ILE 51 - H LYS 61 lone 6 96 - 6 - 1.8/5945=3 HG3 LYS 94 - H LYS 61 lone 5 83 - 6 - HG3 LYS 61 - H ASN 91 lone 4 56 - 7 - 2784=1 HG2 LYS 61 - H ASN 91 lone 4 56 - 6 - 2784=1 HG2 LYS 41 - H LYS 61 lone 3 73 - 4 - 3.8/5941=1, 3.0/5944=1 HG3 LYS 45 - H LYS 61 lone 3 85 - 4 - QB ALA 78 - H LYS 61 lone 2 76 - 3 - HG3 LYS 63 - H ASN 91 lone 2 50 - 3 - HG2 LYS 63 - H ASN 91 lone 2 50 - 3 - HD3 LYS 86 - H ASN 91 lone 1 56 - 2 - HG13 ILE 51 - H ASN 91 lone 1 50 - 1 - HG3 LYS 94 - H ASN 91 lone 0 40 - 1 - HG3 LYS 45 - H ASN 91 lone 0 41 - 1 - HG2 LYS 41 - H ASN 91 lone 0 34 - 1 - QB ALA 78 - H ASN 91 lone 0 36 - 1 - Peak 869 from nnoeabs.peaks (1.68, 7.76, 119.54 ppm; 3.15 A): 4 out of 36 assignments used, quality = 0.92: HB3 LYS 61 + H LYS 61 OK 62 76 - 82 - 3.6=65, 1.8/865=16...(14) HD3 LYS 61 + H LYS 61 OK 52 100 - 52 - 6.0=14, 3.9/865=9...(17) * HD2 LYS 61 + H LYS 61 OK 52 100 - 52 - 6.0=14, 3.9/865=9...(17) HD3 LYS 63 + H LYS 61 OK 13 100 - 13 - 3.0/868=2, 3.0/868=2...(4) HD2 LYS 44 - H LYS 61 lone 8 100 - 8 - 3.0/872=1 HD3 LYS 44 - H LYS 61 lone 8 100 - 8 - 3.0/872=1 HD2 LYS 94 - H LYS 61 lone 7 100 - 7 - HD3 LYS 94 - H LYS 61 lone 7 100 - 7 - HD3 LYS 35 - H LYS 61 lone 4 100 - 4 - HD3 LYS 45 - H LYS 61 lone 3 83 - 4 - HD2 LYS 45 - H LYS 61 lone 3 78 - 3 - HD2 LYS 61 - H ASN 91 lone 3 56 - 5 - HD3 LYS 61 - H ASN 91 lone 3 56 - 5 - HG3 ARG 57 - H LYS 61 lone 3 100 - 3 - 5934/4.6=1 HG2 ARG 57 - H LYS 61 lone 3 100 - 3 - 5934/4.6=1 HD2 LYS 77 - H LYS 61 lone 2 81 - 3 - HB3 LYS 61 - H ASN 91 lone 2 36 - 5 - QB ALA 79 - H LYS 61 lone 2 95 - 2 - HD2 LYS 44 - H ASN 91 lone 2 56 - 3 - HD3 LYS 44 - H ASN 91 lone 2 56 - 3 - HD3 LYS 63 - H ASN 91 lone 2 56 - 3 - QB ALA 79 - H ASN 91 lone 1 49 - 3 - 4466/3.6=2 HB ILE 40 - H LYS 61 lone 1 100 - 1 - HD2 LYS 77 - H ASN 91 lone 1 39 - 3 - HB ILE 40 - H ASN 91 lone 1 56 - 2 - HG3 ARG 57 - H ASN 91 lone 1 56 - 2 - HG2 ARG 57 - H ASN 91 lone 1 56 - 2 - HG12 ILE 39 - H LYS 61 lone 1 97 - 1 - HG12 ILE 27 - H LYS 61 lone 1 76 - 1 - HD3 LYS 35 - H ASN 91 lone 1 55 - 1 - HD3 LYS 94 - H ASN 91 lone 1 55 - 1 - HD2 LYS 94 - H ASN 91 lone 1 55 - 1 - HG12 ILE 39 - H ASN 91 lone 1 51 - 1 - HD3 LYS 45 - H ASN 91 lone 0 40 - 1 - HD2 LYS 45 - H ASN 91 lone 0 37 - 1 - HG12 ILE 27 - H ASN 91 lone 0 36 - 1 - Peak 870 from nnoeabs.peaks (1.68, 7.76, 119.54 ppm; 3.15 A): 4 out of 36 assignments used, quality = 0.92: HB3 LYS 61 + H LYS 61 OK 62 76 - 82 - 3.6=65, 1.8/865=16...(14) * HD3 LYS 61 + H LYS 61 OK 52 100 - 52 - 6.0=14, 3.9/865=9...(17) HD2 LYS 61 + H LYS 61 OK 52 100 - 52 - 6.0=14, 3.9/865=9...(17) HD3 LYS 63 + H LYS 61 OK 13 100 - 13 - 3.0/868=2, 3.0/868=2...(4) HD2 LYS 44 - H LYS 61 lone 8 100 - 8 - 3.0/872=1 HD3 LYS 44 - H LYS 61 lone 8 100 - 8 - 3.0/872=1 HD2 LYS 94 - H LYS 61 lone 7 100 - 7 - HD3 LYS 94 - H LYS 61 lone 7 100 - 7 - HD3 LYS 35 - H LYS 61 lone 4 100 - 4 - HD3 LYS 45 - H LYS 61 lone 3 83 - 4 - HD2 LYS 45 - H LYS 61 lone 3 78 - 3 - HD2 LYS 61 - H ASN 91 lone 3 56 - 5 - HD3 LYS 61 - H ASN 91 lone 3 56 - 5 - HG3 ARG 57 - H LYS 61 lone 3 100 - 3 - 5934/4.6=1 HG2 ARG 57 - H LYS 61 lone 3 100 - 3 - 5934/4.6=1 HD2 LYS 77 - H LYS 61 lone 2 81 - 3 - HB3 LYS 61 - H ASN 91 lone 2 36 - 5 - QB ALA 79 - H LYS 61 lone 2 95 - 2 - HD2 LYS 44 - H ASN 91 lone 2 56 - 3 - HD3 LYS 44 - H ASN 91 lone 2 56 - 3 - HD3 LYS 63 - H ASN 91 lone 2 56 - 3 - QB ALA 79 - H ASN 91 lone 1 49 - 3 - 4466/3.6=2 HB ILE 40 - H LYS 61 lone 1 100 - 1 - HD2 LYS 77 - H ASN 91 lone 1 39 - 3 - HB ILE 40 - H ASN 91 lone 1 56 - 2 - HG3 ARG 57 - H ASN 91 lone 1 56 - 2 - HG2 ARG 57 - H ASN 91 lone 1 56 - 2 - HG12 ILE 39 - H LYS 61 lone 1 97 - 1 - HG12 ILE 27 - H LYS 61 lone 1 76 - 1 - HD3 LYS 35 - H ASN 91 lone 1 55 - 1 - HD3 LYS 94 - H ASN 91 lone 1 55 - 1 - HD2 LYS 94 - H ASN 91 lone 1 55 - 1 - HG12 ILE 39 - H ASN 91 lone 1 51 - 1 - HD3 LYS 45 - H ASN 91 lone 0 40 - 1 - HD2 LYS 45 - H ASN 91 lone 0 37 - 1 - HG12 ILE 27 - H ASN 91 lone 0 36 - 1 - Peak 872 from nnoeabs.peaks (3.00, 7.76, 119.54 ppm; 4.67 A): 4 out of 24 assignments used, quality = 0.90: * HE3 LYS 61 + H LYS 61 OK 72 100 - 72 - 7.3=26, 5.0/865=15...(13) HE2 LYS 61 + H LYS 61 OK 44 60 - 74 - 7.3=26, 5.0/865=15...(12) HE2 LYS 44 + H LYS 61 OK 21 93 - 23 - 2834=3, 1.8/2834=3...(8) HE3 LYS 44 + H LYS 61 OK 21 92 - 23 - 2834=3, 1.8/2834=3...(8) HE3 LYS 63 - H LYS 61 OK 18 73 - 25 - 3.5/2794=3, 3.5/2794=3...(9) HE2 LYS 63 - H LYS 61 OK 17 71 - 24 - 3.5/2794=3, 3.5/2794=3...(9) HE3 LYS 35 - H LYS 61 OK 13 89 - 15 - 2834=2, 7204/2.9=2...(8) HE2 LYS 35 - H LYS 61 OK 13 89 - 15 - 2834=2, 7204/2.9=2...(8) HE3 LYS 45 - H LYS 61 OK 11 98 - 11 - 2834=2, 2773/3.6=2...(4) HE2 LYS 45 - H LYS 61 OK 11 98 - 11 - 2834=2, 2773/3.6=2...(4) HE2 LYS 94 - H LYS 61 poor 8 76 - 11 - 3.0/2814=1, 3.0/2814=1...(4) HE3 LYS 94 - H LYS 61 poor 7 65 - 11 - 3.0/2814=1, 3.0/2804=1 HE3 LYS 61 - H ASN 91 poor 6 56 - 10 - 2834=2, 5913/5924=1...(5) HE2 LYS 44 - H ASN 91 lone 4 48 - 8 - 2834=1, 1.8/2834=1 HE3 LYS 44 - H ASN 91 lone 4 47 - 8 - 2834=1, 1.8/2834=1 HE2 LYS 61 - H ASN 91 lone 2 27 - 8 - 1.8/2834=1, 3.9/2784=1 HE3 LYS 63 - H ASN 91 lone 2 34 - 5 - HE2 LYS 63 - H ASN 91 lone 2 33 - 5 - HE2 LYS 35 - H ASN 91 lone 2 44 - 4 - HE3 LYS 35 - H ASN 91 lone 2 44 - 4 - HE2 LYS 45 - H ASN 91 lone 1 53 - 3 - HE3 LYS 45 - H ASN 91 lone 1 53 - 3 - HE2 LYS 94 - H ASN 91 lone 1 36 - 3 - HE3 LYS 94 - H ASN 91 lone 1 30 - 3 - Peak 873 from nnoeabs.peaks (8.77, 8.77, 122.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H LEU 62 OK 100 100 - 100 Peak 874 from nnoeabs.peaks (4.36, 8.77, 122.41 ppm; 2.67 A): 2 out of 8 assignments used, quality = 0.96: * HA LEU 62 + H LEU 62 OK 88 100 - 88 - 3.0=74, 3.0/2851=15...(9) HA LYS 61 + H LEU 62 OK 65 97 - 67 - 3.6=42, 3.0/4246=14...(12) HA SER 29 - H LEU 62 lone 1 81 - 1 - HA TRP 82 - H LEU 62 lone 1 100 - 1 - HA THR 42 - H LEU 62 lone 1 89 - 1 - HA ALA 98 - H LEU 62 lone 1 99 - 1 - HA SER 11 - H LEU 62 lone 0 100 - 0 - HB THR 46 - H LEU 62 lone 0 60 - 0 - Peak 875 from nnoeabs.peaks (1.89, 8.77, 122.41 ppm; 3.01 A): 2 out of 9 assignments used, quality = 0.90: * HB2 LEU 62 + H LEU 62 OK 86 100 - 86 - 3.6=56, 3.0/2865=21...(12) HB2 LYS 63 + H LEU 62 OK 24 97 - 25 - 3.9/281=11, 1.8/876=5...(5) HB2 GLU 87 - H LEU 62 lone 2 99 - 2 - HB3 ARG 57 - H LEU 62 lone 1 100 - 1 - HB2 ARG 57 - H LEU 62 lone 1 100 - 1 - HB3 LYS 44 - H LEU 62 lone 1 60 - 2 - HD3 LYS 77 - H LEU 62 lone 1 71 - 1 - HB ILE 27 - H LEU 62 lone 1 68 - 1 - HB2 PRO 92 - H LEU 62 lone 0 71 - 1 - Peak 876 from nnoeabs.peaks (1.53, 8.77, 122.41 ppm; 3.45 A): 1 out of 10 assignments used, quality = 0.98: * HB3 LEU 62 + H LEU 62 OK 98 100 - 98 - 3.6=85, 1.8/2851=35...(12) HB3 LYS 63 - H LEU 62 OK 35 100 - 36 - 3.9/281=16, 1.8/875=8...(7) HB3 LYS 94 - H LEU 62 OK 12 97 - 13 - 1.8/877=3, 883/4.6=2...(6) HG2 LYS 94 - H LEU 62 poor 9 83 - 11 - 2.9/877=2, 2.9/4250=2...(5) HD2 LYS 86 - H LEU 62 lone 9 90 - 9 - 3.4/5701=3, 3602/4.6=2...(4) HG13 ILE 93 - H LEU 62 lone 4 100 - 4 - HG2 LYS 45 - H LEU 62 lone 4 97 - 4 - HG LEU 53 - H LEU 62 lone 3 65 - 4 - 2875/4.5=3 HG3 LYS 44 - H LEU 62 lone 2 63 - 4 - HG3 LYS 41 - H LEU 62 lone 2 87 - 2 - Peak 877 from nnoeabs.peaks (1.81, 8.77, 122.41 ppm; 2.98 A): 2 out of 9 assignments used, quality = 0.88: * HG LEU 62 + H LEU 62 OK 79 100 - 79 - 2865=35, 2.1/879=21...(12) HB2 LYS 61 + H LEU 62 OK 43 65 - 66 - 4.4=31, 1.8/4247=18...(10) HB2 LYS 94 - H LEU 62 lone 9 97 - 9 - 1.8/876=2, 285/4.6=1, 2.9/876=1 HB ILE 93 - H LEU 62 lone 3 100 - 3 - 285/4.6=1 HB2 GLN 48 - H LEU 62 lone 2 100 - 2 - HG2 GLU 87 - H LEU 62 lone 1 97 - 1 - HB3 GLU 65 - H LEU 62 lone 1 95 - 1 - HB ILE 39 - H LEU 62 lone 1 97 - 1 - HB2 PRO 74 - H LEU 62 lone 0 68 - 1 - Peak 878 from nnoeabs.peaks (0.84, 8.77, 122.41 ppm; 3.63 A): 3 out of 8 assignments used, quality = 0.95: * QD2 LEU 62 + H LEU 62 OK 93 100 - 93 - 4.5=53, 2.1/2865=37...(12) QG2 VAL 30 + H LEU 62 OK 14 98 - 14 - 2872=4, 2849/3.0=2...(6) QG1 VAL 30 + H LEU 62 OK 13 100 - 12 - 2.1/2872=3, 2849/3.0=2...(6) QG2 ILE 37 - H LEU 62 lone 9 97 - 9 - 7159/5.0=1, 7159/5.0=1 QG2 VAL 25 - H LEU 62 poor 9 83 - 11 - 4904/4.5=3, 286/4.6=2...(5) QG2 ILE 16 - H LEU 62 lone 5 99 - 5 - QG2 ILE 40 - H LEU 62 lone 3 78 - 4 - QG2 ILE 80 - H LEU 62 lone 3 99 - 3 - Peak 879 from nnoeabs.peaks (1.00, 8.77, 122.41 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.92: * QD1 LEU 62 + H LEU 62 OK 92 100 - 92 - 4.5=48, 2.1/2865=36...(13) HG12 ILE 51 - H LEU 62 poor 10 87 - 11 - 287/4.6=4, 2850/3.0=3...(4) QG1 VAL 95 - H LEU 62 lone 5 85 - 5 - 287/4.6=1, 2850/3.0=1 Peak 880 from nnoeabs.peaks (8.00, 8.00, 118.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 63 + H LYS 63 OK 100 100 - 100 Peak 881 from nnoeabs.peaks (4.27, 8.00, 118.02 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 63 + H LYS 63 OK 100 100 - 100 - 3.0=100 Peak 882 from nnoeabs.peaks (1.88, 8.00, 118.02 ppm; 3.42 A): 2 out of 12 assignments used, quality = 0.97: * HB2 LYS 63 + H LYS 63 OK 84 100 - 84 - 3.9=65, 1.8/2906=19...(14) HB2 LEU 62 + H LYS 63 OK 79 97 - 82 - 4.4=48, 3.0/282=21...(10) HD3 LYS 77 - H LYS 63 OK 11 93 - 12 - 3.0/886=3, 3.0/886=3...(4) HB2 ARG 57 - H LYS 63 lone 5 95 - 6 - HB3 ARG 57 - H LYS 63 lone 5 95 - 6 - HB ILE 37 - H LYS 63 lone 5 68 - 7 - 2.1/286=2 HB ILE 27 - H LYS 63 lone 4 92 - 4 - 2.1/4932=1 HB ILE 16 - H LYS 63 lone 3 76 - 4 - 2.1/286=2 HB2 GLU 87 - H LYS 63 lone 3 100 - 3 - 4.0/401=2 HB3 LYS 44 - H LYS 63 lone 3 87 - 3 - HB2 LYS 44 - H LYS 63 lone 2 81 - 3 - HB2 PRO 92 - H LYS 63 lone 2 93 - 2 - Peak 883 from nnoeabs.peaks (1.53, 8.00, 118.02 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.94: HB3 LEU 62 + H LYS 63 OK 76 100 - 76 - 4.4=37, 3.0/282=18...(11) * HB3 LYS 63 + H LYS 63 OK 74 100 - 75 - 3.9=50, 1.8/2896=15...(15) HB3 LYS 94 - H LYS 63 OK 20 99 - 20 - 1.8/285=3, 4.0/1107=2...(7) HG2 LYS 94 - H LYS 63 OK 13 76 - 17 - 2.9/285=2, 1.8/884=2...(8) HD2 LYS 86 - H LYS 63 OK 13 95 - 13 - 3602=2, 3.0/3582=2...(5) HG13 ILE 93 - H LYS 63 OK 11 99 - 11 - 1.8/6811=2, 3.0/285=2...(5) HG2 LYS 45 - H LYS 63 lone 5 93 - 5 - HG3 LYS 44 - H LYS 63 lone 2 71 - 3 - HG LEU 53 - H LYS 63 lone 2 57 - 3 - HG3 LYS 41 - H LYS 63 lone 1 81 - 1 - Peak 884 from nnoeabs.peaks (1.43, 8.00, 118.02 ppm; 3.20 A): 3 out of 10 assignments used, quality = 0.95: * HG2 LYS 63 + H LYS 63 OK 73 100 - 73 - 4.9=27, 2.9/2906=13...(19) HG3 LYS 63 + H LYS 63 OK 73 100 - 73 - 4.9=27, 2.9/2906=13...(19) HG3 LYS 61 + H LYS 63 OK 36 96 - 38 - 5.0/281=10, 3.9/282=5...(15) HG2 LYS 61 - H LYS 63 OK 36 95 - 38 - 5.0/281=10, 3.9/282=5...(14) HG3 LYS 94 - H LYS 63 OK 20 99 - 21 - 2.9/285=3, 2.9/883=2...(9) HG13 ILE 51 - H LYS 63 OK 18 100 - 18 - 1.8/287=6, 4.0/7053=5...(6) HB ILE 51 - H LYS 63 OK 14 73 - 19 - 3.0/7053=6, 3.0/287=4...(5) HD3 LYS 86 - H LYS 63 OK 13 96 - 14 - 1.8/3602=2, 3.0/3582=2...(5) QG2 THR 67 - H LYS 63 lone 5 85 - 5 - 6079/3.6=1, 6069/5971=1 HG12 ILE 80 - H LYS 63 lone 2 85 - 3 - Peak 885 from nnoeabs.peaks (1.43, 8.00, 118.02 ppm; 3.20 A): 3 out of 10 assignments used, quality = 0.95: HG2 LYS 63 + H LYS 63 OK 73 100 - 73 - 4.9=27, 2.9/2906=13...(19) * HG3 LYS 63 + H LYS 63 OK 73 100 - 73 - 4.9=27, 2.9/2906=13...(19) HG3 LYS 61 + H LYS 63 OK 36 96 - 38 - 5.0/281=10, 3.9/282=5...(15) HG2 LYS 61 - H LYS 63 OK 36 95 - 38 - 5.0/281=10, 3.9/282=5...(14) HG3 LYS 94 - H LYS 63 OK 20 99 - 21 - 2.9/285=3, 2.9/883=2...(9) HG13 ILE 51 - H LYS 63 OK 18 100 - 18 - 1.8/287=6, 4.0/7053=5...(6) HB ILE 51 - H LYS 63 OK 14 73 - 19 - 3.0/7053=6, 3.0/287=4...(5) HD3 LYS 86 - H LYS 63 OK 13 96 - 14 - 1.8/3602=2, 3.0/3582=2...(5) QG2 THR 67 - H LYS 63 lone 5 85 - 5 - 6079/3.6=1, 6069/5971=1 HG12 ILE 80 - H LYS 63 lone 2 85 - 3 - Peak 886 from nnoeabs.peaks (1.59, 8.00, 118.02 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.92: * HD2 LYS 63 + H LYS 63 OK 85 100 - 85 - 5.9=41, 2937/3.0=20...(21) HG3 LYS 77 + H LYS 63 OK 19 71 - 27 - 2892/3.0=5, 2902/3.9=5...(9) HG2 LYS 77 + H LYS 63 OK 18 68 - 27 - 2892/3.0=5, 2902/3.9=5...(9) QB ALA 76 + H LYS 63 OK 13 99 - 13 - 2902/3.9=3, 2892/3.0=2...(4) Peak 887 from nnoeabs.peaks (1.68, 8.00, 118.02 ppm; 4.63 A): 5 out of 18 assignments used, quality = 1.00: * HD3 LYS 63 + H LYS 63 OK 93 100 - 93 - 5.9=49, 1.8/886=27...(24) HD3 LYS 61 + H LYS 63 OK 53 100 - 53 - 4.8/282=8, 4251/4.6=7...(20) HD2 LYS 61 + H LYS 63 OK 53 100 - 53 - 4.8/282=8, 4251/4.6=7...(20) HD2 LYS 94 + H LYS 63 OK 46 100 - 46 - 3.4/285=5, 2903/3.9=4...(19) HD3 LYS 94 + H LYS 63 OK 46 100 - 46 - 3.4/285=5, 2903/3.9=4...(19) HB3 LYS 61 - H LYS 63 OK 43 76 - 57 - 4.4/281=26, 3.0/282=12...(16) HD2 LYS 77 - H LYS 63 OK 20 81 - 25 - 3.0/886=5, 3.0/886=5...(8) HD3 LYS 35 - H LYS 63 OK 16 100 - 16 - 3.6/5243=4, 1844/4.7=4 HD3 LYS 45 - H LYS 63 OK 15 83 - 18 - 2903/3.9=2, 2913/3.9=2...(7) HD2 LYS 45 - H LYS 63 OK 14 78 - 18 - 2903/3.9=2, 2913/3.9=2...(7) HG2 ARG 57 - H LYS 63 OK 14 100 - 14 - 5891/3.0=3, ~5891=2...(6) HG3 ARG 57 - H LYS 63 OK 14 100 - 14 - 5891/3.0=3, ~5891=2...(6) HB ILE 40 - H LYS 63 OK 11 100 - 11 - 3.2/5399=3, 2.1/286=2 HD2 LYS 44 - H LYS 63 OK 10 100 - 10 - HD3 LYS 44 - H LYS 63 OK 10 100 - 10 - QB ALA 79 - H LYS 63 poor 10 95 - 10 - 6461=2 HG12 ILE 27 - H LYS 63 lone 5 76 - 7 - 3.2/4932=2 HG12 ILE 39 - H LYS 63 lone 3 97 - 3 - Peak 890 from nnoeabs.peaks (8.33, 8.33, 108.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 64 + H GLY 64 OK 100 100 - 100 Peak 891 from nnoeabs.peaks (3.74, 8.33, 108.30 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 64 + H GLY 64 OK 100 100 - 100 - 3.0=100 Peak 892 from nnoeabs.peaks (4.24, 8.33, 108.30 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 64 + H GLY 64 OK 100 100 - 100 - 3.0=100 Peak 893 from nnoeabs.peaks (7.15, 7.15, 115.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + H GLU 65 OK 100 100 - 100 Peak 894 from nnoeabs.peaks (5.51, 7.15, 115.91 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + H GLU 65 OK 100 100 - 100 - 3.0=100 Peak 895 from nnoeabs.peaks (1.98, 7.15, 115.91 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + H GLU 65 OK 100 100 - 100 - 3.7=100 Peak 896 from nnoeabs.peaks (1.82, 7.15, 115.91 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 65 + H GLU 65 OK 100 100 - 100 - 3.7=100 Peak 897 from nnoeabs.peaks (2.19, 7.15, 115.91 ppm; 4.56 A): 1 out of 9 assignments used, quality = 0.95: * HG2 GLU 65 + H GLU 65 OK 95 100 - 95 - 4.8=89, 2986/3.0=27...(6) HB VAL 30 - H GLU 65 OK 24 100 - 24 - 2986/3.0=5, 2.1/6003=5...(6) HG3 GLU 87 - H GLU 65 lone 9 100 - 9 - 2986/3.0=3, 3000=2...(4) HB2 PHE 88 - H GLU 65 lone 5 92 - 6 - 1.8/7174=1, 2986/3.0=1 HB3 GLN 48 - H GLU 65 lone 4 100 - 4 - 305/4.6=2, 2986/3.0=1 HB2 PRO 49 - H GLU 65 lone 4 63 - 7 - 1.8/6004=1 HB3 PRO 92 - H GLU 65 lone 3 76 - 4 - 2986/3.0=1 HG3 PRO 92 - H GLU 65 lone 3 85 - 3 - HB2 PRO 73 - H GLU 65 lone 1 60 - 2 - Peak 898 from nnoeabs.peaks (2.14, 7.15, 115.91 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 65 + H GLU 65 OK 99 100 - 99 - 4.8=97, 2987/3.0=27...(6) HB2 GLN 19 + H GLU 65 OK 50 73 - 68 - 4739/3.0=17, ~7138=16...(11) HB3 LYS 35 - H GLU 65 lone 6 73 - 8 - 3.8/298=2, 1804/4.6=2 HB2 GLU 58 - H GLU 65 lone 2 100 - 2 - HB3 GLU 58 - H GLU 65 lone 2 83 - 2 - HB2 GLN 36 - H GLU 65 lone 1 68 - 2 - HB2 PRO 73 - H GLU 65 lone 1 65 - 2 - Peak 899 from nnoeabs.peaks (8.92, 8.92, 123.68 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ALA 66 + H ALA 66 OK 100 100 - 100 H ASP 56 - H ASP 56 OK 41 41 - 100 Peak 900 from nnoeabs.peaks (5.59, 8.92, 123.68 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 66 + H ALA 66 OK 100 100 - 100 - 3.0=100 Peak 901 from nnoeabs.peaks (0.96, 8.92, 123.68 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 66 + H ALA 66 OK 100 100 - 100 - 2.9=100 Peak 902 from nnoeabs.peaks (8.43, 8.43, 108.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 67 + H THR 67 OK 100 100 - 100 Peak 903 from nnoeabs.peaks (5.75, 8.43, 108.09 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 67 + H THR 67 OK 100 100 - 100 - 3.0=100 Peak 904 from nnoeabs.peaks (4.10, 8.43, 108.09 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 67 + H THR 67 OK 100 100 - 100 - 3.9=100 Peak 905 from nnoeabs.peaks (1.45, 8.43, 108.09 ppm; 3.59 A): 2 out of 10 assignments used, quality = 0.94: * QG2 THR 67 + H THR 67 OK 90 100 - 90 - 4.0=73, 3027/3.0=33...(13) HB ILE 51 + H THR 67 OK 40 100 - 41 - 2.1/6103=17, 3021/3.0=6...(9) HG13 ILE 51 - H THR 67 OK 28 85 - 33 - 3.2/6103=14, 2.1/6100=5...(9) HG12 ILE 80 - H THR 67 OK 19 100 - 19 - 6503/3.5=7, 6023/3.6=3...(4) QB ALA 31 - H THR 67 OK 11 97 - 11 - 3021/3.0=2, 313/4.6=2...(4) HG3 LYS 63 - H THR 67 lone 5 85 - 6 - 4707/4696=1, 4705/4694=1 HG2 LYS 63 - H THR 67 lone 5 85 - 6 - 4707/4696=1, 4705/4694=1 HG3 LYS 94 - H THR 67 lone 4 97 - 4 - HB2 LYS 41 - H THR 67 lone 3 89 - 4 - HG2 LYS 44 - H THR 67 lone 2 83 - 2 - Peak 906 from nnoeabs.peaks (8.09, 8.09, 119.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 68 + H VAL 68 OK 100 100 - 100 Peak 907 from nnoeabs.peaks (4.25, 8.09, 119.93 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 68 + H VAL 68 OK 100 100 - 100 - 3.0=100 Peak 908 from nnoeabs.peaks (1.35, 8.09, 119.93 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.83: * HB VAL 68 + H VAL 68 OK 78 100 - 78 - 4.0=61, 2.1/909=24...(7) HG12 ILE 37 + H VAL 68 OK 24 99 - 24 - 1.8/6112=8, 5282/3.0=4...(8) HG12 ILE 93 - H VAL 68 lone 3 100 - 3 - ~6118=1 Peak 909 from nnoeabs.peaks (0.29, 8.09, 119.93 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.88: * QG2 VAL 68 + H VAL 68 OK 82 100 - 82 - 4.0=55, 2.1/908=23...(13) QD1 LEU 21 + H VAL 68 OK 32 93 - 35 - 6107/3.6=7, 6110/4.1=5...(10) Peak 910 from nnoeabs.peaks (0.01, 8.09, 119.93 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 68 + H VAL 68 OK 100 100 - 100 - 4.0=100 Peak 911 from nnoeabs.peaks (7.68, 7.68, 121.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 69 + H SER 69 OK 100 100 - 100 Peak 912 from nnoeabs.peaks (5.24, 7.68, 121.55 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 69 + H SER 69 OK 100 100 - 100 - 3.0=100 Peak 913 from nnoeabs.peaks (3.70, 7.68, 121.55 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.94: * HB2 SER 69 + H SER 69 OK 93 100 - 93 - 4.0=81, 1.8/914=41...(9) HA LEU 21 + H SER 69 OK 19 97 - 20 - 4.0/317=6, 2.9/6181=4...(7) HB THR 42 - H SER 69 poor 6 57 - 10 - 4.7/5520=3, 2.1/5512=2 HD2 PRO 74 - H SER 69 lone 3 97 - 3 - HA2 GLY 47 - H SER 69 lone 2 68 - 2 - Peak 914 from nnoeabs.peaks (3.63, 7.68, 121.55 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.82: * HB3 SER 69 + H SER 69 OK 82 100 - 82 - 4.0=60, 1.8/3054=26...(11) HA2 GLY 90 - H SER 69 lone 1 65 - 1 - Peak 915 from nnoeabs.peaks (8.96, 8.96, 122.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + H PHE 70 OK 100 100 - 100 Peak 916 from nnoeabs.peaks (4.82, 8.96, 122.57 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 70 + H PHE 70 OK 100 100 - 100 - 3.0=100 Peak 917 from nnoeabs.peaks (3.44, 8.96, 122.57 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.94: * HB2 PHE 70 + H PHE 70 OK 93 100 - 93 - 4.1=76, 1.8/918=33...(9) HB2 PHE 34 + H PHE 70 OK 14 81 - 18 - 1.8/918=7, 5220/6234=5...(4) HA ILE 80 - H PHE 70 lone 8 83 - 10 - 6514/4.1=2, 3.2/6233=2 HB2 PHE 83 - H PHE 70 lone 6 99 - 6 - 4.4/6217=2, 325/4.6=1 HB2 SER 89 - H PHE 70 lone 4 95 - 4 - 325/4.6=1 Peak 918 from nnoeabs.peaks (2.78, 8.96, 122.57 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.86: * HB3 PHE 70 + H PHE 70 OK 83 100 - 83 - 4.1=58, 2.5/922=26...(9) HB3 PHE 34 + H PHE 70 OK 17 99 - 17 - 5218/6234=5, 1.8/917=4...(5) HB3 ASP 84 - H PHE 70 lone 3 100 - 3 - HB2 ASP 32 - H PHE 70 lone 2 73 - 2 - Peak 922 from nnoeabs.peaks (7.05, 8.96, 122.57 ppm; 3.48 A): 1 out of 4 assignments used, quality = 0.82: * QD PHE 70 + H PHE 70 OK 82 100 - 82 - 4.6=44, 2.5/918=25...(11) HZ3 TRP 82 - H PHE 70 lone 3 90 - 4 - HD22 ASN 91 - H PHE 70 lone 2 81 - 3 - HZ PHE 17 - H PHE 70 lone 2 85 - 2 - Peak 923 from nnoeabs.peaks (8.45, 8.45, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + H ASP 71 OK 100 100 - 100 Peak 924 from nnoeabs.peaks (4.41, 8.45, 119.98 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + H ASP 71 OK 100 100 - 100 - 3.0=100 Peak 925 from nnoeabs.peaks (2.59, 8.45, 119.98 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.81: * HB2 ASP 71 + H ASP 71 OK 81 100 - 81 - 3.9=57, 1.8/926=29...(10) HB2 ASN 52 - H ASP 71 lone 5 100 - 5 - HB3 ASN 52 - H ASP 71 lone 5 99 - 5 - Peak 926 from nnoeabs.peaks (2.38, 8.45, 119.98 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.74: * HB3 ASP 71 + H ASP 71 OK 69 100 - 69 - 3.9=43, 1.8/925=26...(10) HG3 MET 50 + H ASP 71 OK 14 100 - 14 - 2473/3.0=4, ~2466=2...(6) HB3 PRO 74 - H ASP 71 lone 6 100 - 6 - 334/4.6=2 HG2 PRO 73 - H ASP 71 lone 4 83 - 5 - 334/4.6=3, 6223/4.3=1 Peak 927 from nnoeabs.peaks (8.48, 8.48, 116.74 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * H ASP 72 + H ASP 72 OK 100 100 - 100 H TRP 82 - H TRP 82 OK 36 36 - 100 H ILE 93 - H ILE 93 OK 30 30 - 100 Peak 928 from nnoeabs.peaks (5.39, 8.48, 116.74 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 72 + H ASP 72 OK 100 100 - 100 - 3.0=100 Peak 929 from nnoeabs.peaks (2.82, 8.48, 116.74 ppm; 3.34 A): 2 out of 12 assignments used, quality = 0.74: * HB2 ASP 72 + H ASP 72 OK 70 100 - 70 - 4.1=56, 1.8/930=17...(6) HB2 PHE 17 + H ASP 72 OK 13 100 - 13 - 6325/4.8=3, 1.8/930=3...(4) HB2 PHE 17 - H TRP 82 poor 8 45 - 18 - ~6579=8, 4661/3.0=4...(6) HB2 TYR 54 - H ASP 72 lone 3 99 - 3 - HB2 ASP 72 - H TRP 82 lone 2 45 - 5 - 1.8/3130=1, 3126=1 HB3 TYR 33 - H ASP 72 lone 2 100 - 2 - HB3 TYR 33 - H ILE 93 lone 1 43 - 2 - HB3 TYR 33 - H TRP 82 lone 1 45 - 1 - HB2 ASP 72 - H ILE 93 lone 1 44 - 1 - HB2 TYR 54 - H ILE 93 lone 0 42 - 1 - HB2 PHE 17 - H ILE 93 lone 0 44 - 1 - HB2 TYR 54 - H TRP 82 lone 0 44 - 1 - Peak 930 from nnoeabs.peaks (2.72, 8.48, 116.74 ppm; 3.41 A): 4 out of 15 assignments used, quality = 0.87: * HB3 ASP 72 + H ASP 72 OK 76 100 - 76 - 4.1=59, 1.8/929=26...(6) HB2 ASP 81 + H TRP 82 OK 29 45 - 64 - 4.4=46, 1.8/4330=16...(7) HB3 PHE 17 + H ASP 72 OK 14 98 - 15 - 1.8/929=5, 6327/4.8=4...(4) HB3 ASN 13 + H ASP 72 OK 11 100 - 11 - 4.6/7167=3, 4.0/6301=2...(6) HB2 ASP 81 - H ASP 72 lone 8 100 - 8 - 4329=2, 1.8/4330=1 HB3 PHE 17 - H TRP 82 poor 6 42 - 14 - 6579/3.0=4, 1.8/929=3...(5) HB3 ASN 13 - H TRP 82 poor 5 44 - 11 - 4.6/7167=4, 3.5/4503=2 HB3 ASP 72 - H TRP 82 lone 3 45 - 7 - 3130=2, 1.8/3126=1 HB3 ASN 24 - H ASP 72 lone 1 100 - 1 - HB3 ASN 13 - H ILE 93 lone 1 43 - 2 - HB3 ASN 24 - H TRP 82 lone 1 45 - 1 - HB3 ASP 72 - H ILE 93 lone 1 44 - 1 - HB3 PHE 17 - H ILE 93 lone 0 41 - 1 - HB2 ASP 81 - H ILE 93 lone 0 44 - 1 - HB3 ASN 24 - H ILE 93 lone 0 43 - 0 - Peak 931 from nnoeabs.peaks (8.06, 8.06, 114.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + H SER 75 OK 100 100 - 100 Peak 932 from nnoeabs.peaks (4.02, 8.06, 114.38 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 75 + H SER 75 OK 100 100 - 100 - 2.9=100 Peak 933 from nnoeabs.peaks (3.04, 8.06, 114.38 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.86: * HB2 SER 75 + H SER 75 OK 83 100 - 83 - 4.0=70, 1.8/3240=28...(5) HE2 LYS 41 + H SER 75 OK 15 95 - 16 - 3.0/6353=4, 3.0/6353=4...(5) HE2 LYS 61 - H SER 75 lone 8 100 - 8 - 3.9/6354=2, 3.9/6354=2 HE3 LYS 44 - H SER 75 lone 1 85 - 2 - HE2 LYS 44 - H SER 75 lone 1 83 - 2 - HE2 LYS 35 - H SER 75 lone 1 89 - 1 - HE3 LYS 35 - H SER 75 lone 1 89 - 1 - Peak 934 from nnoeabs.peaks (3.88, 8.06, 114.38 ppm; 3.22 A): 2 out of 4 assignments used, quality = 0.77: * HB3 SER 75 + H SER 75 OK 70 100 - 70 - 4.0=51, 1.8/933=22...(6) HD3 PRO 73 + H SER 75 OK 24 100 - 24 - 4.8/6355=7, 4.8/6356=7...(5) HA ALA 31 - H SER 75 lone 5 99 - 5 - 5076/4.6=2 HA2 GLY 85 - H SER 75 lone 4 100 - 4 - 6651/3.9=1 Peak 935 from nnoeabs.peaks (7.44, 7.44, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + H ALA 76 OK 100 100 - 100 Peak 936 from nnoeabs.peaks (3.60, 7.44, 122.42 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 76 + H ALA 76 OK 100 100 - 100 - 3.0=100 Peak 937 from nnoeabs.peaks (1.60, 7.44, 122.42 ppm; 2.79 A): 1 out of 4 assignments used, quality = 0.90: * QB ALA 76 + H ALA 76 OK 90 100 - 90 - 2.9=86, 3.6/346=13...(8) HD3 LYS 41 - H ALA 76 lone 5 68 - 8 - 3.0/6368=1, 3.0/344=1 HD2 LYS 41 - H ALA 76 lone 5 68 - 8 - 3.0/6368=1, 3.0/344=1 HD2 LYS 63 - H ALA 76 lone 5 99 - 5 - 348/4.6=1 Peak 938 from nnoeabs.peaks (7.20, 7.20, 116.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + H LYS 77 OK 100 100 - 100 Peak 939 from nnoeabs.peaks (3.79, 7.20, 116.16 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + H LYS 77 OK 100 100 - 100 - 3.0=100 Peak 940 from nnoeabs.peaks (1.98, 7.20, 116.16 ppm; 2.98 A): 2 out of 11 assignments used, quality = 0.86: * HB2 LYS 77 + H LYS 77 OK 81 100 - 81 - 3.7=50, 1.8/941=24...(17) HG3 PRO 74 + H LYS 77 OK 25 99 - 25 - 3.8/4452=8, 1.8/941=7...(6) HB VAL 25 - H LYS 77 lone 4 92 - 5 - 3260=1 HB3 LYS 45 - H LYS 77 lone 4 63 - 6 - 4.0/5545=2, 3.0/6413=1 HB2 LYS 45 - H LYS 77 lone 4 63 - 6 - 4.0/5545=2, 3.0/6413=1 HG3 PRO 73 - H LYS 77 lone 3 63 - 5 - 3.8/1178=4 HG2 GLN 19 - H LYS 77 lone 2 100 - 2 - HG2 PRO 49 - H LYS 77 lone 2 71 - 3 - HB2 GLU 23 - H LYS 77 lone 2 65 - 3 - 4.0/1179=1 HB2 GLU 65 - H LYS 77 lone 2 100 - 2 - HB3 GLU 28 - H LYS 77 lone 1 100 - 1 - Peak 941 from nnoeabs.peaks (2.11, 7.20, 116.16 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.87: * HB3 LYS 77 + H LYS 77 OK 82 100 - 82 - 3.7=54, 1.8/940=22...(18) HG2 PRO 74 + H LYS 77 OK 26 100 - 26 - 3.8/4452=9, 1.8/940=7...(6) HB2 GLN 19 - H LYS 77 lone 3 99 - 2 - HB2 GLU 58 - H LYS 77 lone 2 71 - 2 - 4.6/1177=1 HB2 GLN 36 - H LYS 77 lone 1 100 - 1 - HB2 GLU 28 - H LYS 77 lone 1 57 - 1 - Peak 942 from nnoeabs.peaks (1.57, 7.20, 116.16 ppm; 3.05 A): 3 out of 7 assignments used, quality = 0.94: * HG2 LYS 77 + H LYS 77 OK 75 100 - 75 - 4.9=24, 2.9/941=18...(20) HG3 LYS 77 + H LYS 77 OK 75 100 - 75 - 4.9=24, 2.9/941=18...(20) HG3 LYS 44 + H LYS 77 OK 10 93 - 11 - 3254/3.0=1, 2.9/945=1...(5) HD2 LYS 63 - H LYS 77 poor 7 68 - 10 - 3.0/6413=2, 3.0/6413=2...(5) HB3 PRO 49 - H LYS 77 lone 5 100 - 5 - HB3 GLU 87 - H LYS 77 lone 2 98 - 2 - HD2 LYS 86 - H LYS 77 lone 1 68 - 2 - Peak 943 from nnoeabs.peaks (1.57, 7.20, 116.16 ppm; 3.05 A): 3 out of 7 assignments used, quality = 0.94: HG2 LYS 77 + H LYS 77 OK 75 100 - 75 - 4.9=24, 2.9/941=18...(20) * HG3 LYS 77 + H LYS 77 OK 75 100 - 75 - 4.9=24, 2.9/941=18...(20) HG3 LYS 44 + H LYS 77 OK 10 92 - 11 - 3254/3.0=1, 2.9/945=1...(5) HD2 LYS 63 - H LYS 77 poor 7 71 - 10 - 3.0/6413=2, 3.0/6413=2...(5) HB3 PRO 49 - H LYS 77 lone 5 99 - 5 - HB3 GLU 87 - H LYS 77 lone 2 97 - 2 - HD2 LYS 86 - H LYS 77 lone 1 65 - 2 - Peak 944 from nnoeabs.peaks (1.70, 7.20, 116.16 ppm; 4.18 A): 2 out of 17 assignments used, quality = 0.96: * HD2 LYS 77 + H LYS 77 OK 90 100 - 90 - 6.3=30, 3.7/941=25...(17) HB ILE 80 + H LYS 77 OK 59 87 - 68 - 3.2/6417=18, 4471/3.0=17...(13) HD3 LYS 63 - H LYS 77 OK 19 81 - 23 - 1.8/348=6, 3.0/6413=3...(9) HD3 LYS 44 - H LYS 77 OK 17 83 - 21 - 3.0/942=2, 3.8/945=2...(10) HD2 LYS 44 - H LYS 77 OK 17 81 - 21 - 3.0/942=2, 3.8/945=2...(11) HD2 LYS 45 - H LYS 77 OK 15 100 - 15 - 2.9/6413=2, 4470/3.0=1...(8) HD3 LYS 45 - H LYS 77 OK 15 100 - 15 - 2.9/6413=2, 3300=1...(8) HG12 ILE 39 - H LYS 77 lone 10 97 - 10 - 4.6/1179=4, ~5366=1...(4) HD2 LYS 61 - H LYS 77 poor 9 81 - 11 - 3.0/6413=2, 3.0/6413=2 HD3 LYS 61 - H LYS 77 poor 9 81 - 11 - 3.0/6413=2, 3.0/6413=2 HB ILE 40 - H LYS 77 lone 6 83 - 7 - 2.1/6416=1, 4465/3.6=1 HB2 LEU 53 - H LYS 77 lone 5 87 - 6 - 4470/3.0=1, 1.8/6413=1 HG2 ARG 57 - H LYS 77 lone 5 83 - 5 - 3.9/1176=2 HG3 ARG 57 - H LYS 77 lone 4 78 - 5 - 3.9/1176=2 HD2 LYS 94 - H LYS 77 lone 3 71 - 4 - HD3 LYS 94 - H LYS 77 lone 3 71 - 4 - HD3 LYS 35 - H LYS 77 lone 2 89 - 2 - Peak 945 from nnoeabs.peaks (1.87, 7.20, 116.16 ppm; 4.29 A): 2 out of 13 assignments used, quality = 0.95: * HD3 LYS 77 + H LYS 77 OK 92 100 - 92 - 6.3=32, 3311/3.0=27...(19) HB2 LYS 63 + H LYS 77 OK 31 93 - 34 - 7101/3.7=8, 3257/3.0=5...(11) HB ILE 37 - H LYS 77 OK 24 96 - 25 - 2.1/6416=6, 356/4.6=5...(7) HB3 LYS 44 - H LYS 77 OK 20 100 - 20 - 3257/3.0=3, 3.0/1176=2...(10) HB2 LYS 44 - H LYS 77 OK 20 99 - 20 - 3257/3.0=3, 3.0/1176=2...(10) HB ILE 16 - H LYS 77 OK 20 98 - 20 - 2.1/6416=7, ~6418=3...(7) HB2 LYS 61 - H LYS 77 lone 5 60 - 9 - 3.0/6413=2, 3.0/6413=2 HB2 GLU 87 - H LYS 77 lone 5 89 - 5 - HB ILE 27 - H LYS 77 lone 4 100 - 4 - HB2 ARG 57 - H LYS 77 lone 4 65 - 5 - 3.0/1176=2 HB3 ARG 57 - H LYS 77 lone 4 65 - 5 - 3.0/1176=2 HB2 LEU 62 - H LYS 77 lone 3 71 - 4 - 3.1/6416=1 HB2 PRO 92 - H LYS 77 lone 2 100 - 2 - Peak 948 from nnoeabs.peaks (7.87, 7.87, 119.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 78 + H ALA 78 OK 100 100 - 100 Peak 949 from nnoeabs.peaks (4.16, 7.87, 119.69 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 78 + H ALA 78 OK 100 100 - 100 - 3.0=100 Peak 950 from nnoeabs.peaks (1.40, 7.87, 119.69 ppm; 2.62 A): 1 out of 7 assignments used, quality = 0.83: * QB ALA 78 + H ALA 78 OK 83 100 - 83 - 2.9=72, 3.7/359=13...(12) HG3 LYS 45 - H ALA 78 lone 6 100 - 6 - HG2 LYS 41 - H ALA 78 lone 5 100 - 5 - HG2 LYS 61 - H ALA 78 lone 3 78 - 4 - HG3 LYS 61 - H ALA 78 lone 3 76 - 4 - HB3 LEU 53 - H ALA 78 lone 2 97 - 2 - HD3 LYS 86 - H ALA 78 lone 2 76 - 2 - Peak 951 from nnoeabs.peaks (8.12, 8.12, 120.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 79 + H ALA 79 OK 100 100 - 100 Peak 952 from nnoeabs.peaks (4.27, 8.12, 120.33 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 79 + H ALA 79 OK 100 100 - 100 - 3.0=100 Peak 953 from nnoeabs.peaks (1.67, 8.12, 120.33 ppm; 2.68 A): 1 out of 18 assignments used, quality = 0.85: * QB ALA 79 + H ALA 79 OK 85 100 - 85 - 2.9=77, 3.7/362=11...(11) HG12 ILE 39 - H ALA 79 poor 9 73 - 13 - 1.8/1990=2, 1983=2...(5) HB ILE 40 - H ALA 79 lone 6 93 - 7 - 3.0/1185=1, 3.9/160=1 HG12 ILE 27 - H ALA 79 lone 5 97 - 5 - HD2 LYS 61 - H ALA 79 lone 4 95 - 4 - HD3 LYS 61 - H ALA 79 lone 4 95 - 4 - HG3 ARG 57 - H ALA 79 lone 4 96 - 4 - 3.9/1188=1 HG2 ARG 57 - H ALA 79 lone 4 93 - 4 - 3.9/1188=1 HG12 ILE 40 - H ALA 79 lone 3 63 - 5 - 3.8/1185=1 HD2 LYS 44 - H ALA 79 lone 3 95 - 3 - 6442/3.7=1 HD3 LYS 44 - H ALA 79 lone 3 93 - 3 - 6442/3.7=1 HB3 LYS 61 - H ALA 79 lone 3 97 - 3 - HB2 MET 50 - H ALA 79 lone 2 87 - 3 - HD3 LYS 63 - H ALA 79 lone 2 95 - 2 - HD2 LYS 94 - H ALA 79 lone 2 98 - 2 - HD3 LYS 94 - H ALA 79 lone 2 98 - 2 - HG3 GLN 19 - H ALA 79 lone 1 81 - 1 - HD3 LYS 35 - H ALA 79 lone 1 89 - 1 - Peak 954 from nnoeabs.peaks (7.57, 7.57, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + H ILE 80 OK 100 100 - 100 Peak 955 from nnoeabs.peaks (3.42, 7.57, 119.63 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + H ILE 80 OK 100 100 - 100 - 3.0=100 Peak 956 from nnoeabs.peaks (1.72, 7.57, 119.63 ppm; 2.89 A): 1 out of 7 assignments used, quality = 0.73: * HB ILE 80 + H ILE 80 OK 73 100 - 73 - 4.0=39, 2.9/958=16...(12) HD2 LYS 77 - H ILE 80 poor 10 87 - 11 - 4.6/1192=6, 3389/4.6=2...(4) HB2 LEU 53 - H ILE 80 lone 5 100 - 5 - 3389/4.6=1, 5817/4.0=1 HD2 LYS 35 - H ILE 80 lone 2 78 - 2 - 367/4.6=1 HG12 ILE 39 - H ILE 80 lone 2 63 - 3 - HD2 LYS 45 - H ILE 80 lone 1 89 - 2 - HD3 LYS 45 - H ILE 80 lone 1 85 - 1 - Peak 957 from nnoeabs.peaks (0.84, 7.57, 119.63 ppm; 3.16 A): 3 out of 10 assignments used, quality = 0.96: * QG2 ILE 80 + H ILE 80 OK 88 100 - 88 - 4.0=49, 2.1/956=27...(17) QG2 ILE 37 + H ILE 80 OK 50 100 - 50 - 5303=8, 5290/3.6=8...(15) QG2 ILE 16 + H ILE 80 OK 41 93 - 44 - 4627=7, 3.1/6497=6...(14) QG2 VAL 30 - H ILE 80 OK 19 100 - 19 - 5108/4.6=4, 3.9/1121=2...(7) QG1 VAL 30 - H ILE 80 OK 17 100 - 17 - 5111/4.6=3, 3.9/1121=2...(6) QD2 LEU 62 - H ILE 80 OK 10 99 - 10 - 2.1/6496=2 QG1 VAL 18 - H ILE 80 poor 8 68 - 11 - 4717/4.6=2, 4717/960=1 QG2 ILE 40 - H ILE 80 poor 7 63 - 11 - 3.2/1192=3, 2.1/364=2 QG2 VAL 25 - H ILE 80 lone 5 68 - 7 - QD1 ILE 51 - H ILE 80 lone 4 63 - 6 - Peak 958 from nnoeabs.peaks (1.45, 7.57, 119.63 ppm; 3.08 A): 1 out of 10 assignments used, quality = 0.75: * HG12 ILE 80 + H ILE 80 OK 75 100 - 75 - 4.8=27, 2.9/956=20...(12) QB ALA 31 - H ILE 80 lone 6 97 - 7 - 5077/4.6=1 QG2 THR 67 - H ILE 80 lone 5 100 - 5 - HB ILE 51 - H ILE 80 lone 4 100 - 4 - HG3 LYS 94 - H ILE 80 lone 3 97 - 3 - HG13 ILE 51 - H ILE 80 lone 3 85 - 3 - HB2 LYS 41 - H ILE 80 lone 2 89 - 3 - HG2 LYS 63 - H ILE 80 lone 2 85 - 2 - HG3 LYS 63 - H ILE 80 lone 2 85 - 2 - HG2 LYS 44 - H ILE 80 lone 1 83 - 2 - Peak 959 from nnoeabs.peaks (0.36, 7.57, 119.63 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.95: * HG13 ILE 80 + H ILE 80 OK 89 100 - 89 - 4.8=36, 1.8/958=29...(17) QD1 ILE 37 + H ILE 80 OK 54 90 - 59 - 6487/3.6=12, 6491/3.7=11...(17) Peak 960 from nnoeabs.peaks (-0.18, 7.57, 119.63 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 80 + H ILE 80 OK 89 100 - 89 - 4.6=42, 2.1/958=27...(16) QD2 LEU 21 + H ILE 80 OK 41 99 - 42 - 2.1/6497=9, 3358/3.0=8...(12) Peak 961 from nnoeabs.peaks (7.96, 7.96, 117.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 81 + H ASP 81 OK 100 100 - 100 H ASP 84 + H ASP 84 OK 58 58 - 100 Peak 962 from nnoeabs.peaks (4.31, 7.96, 117.78 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 81 + H ASP 81 OK 100 100 - 100 - 3.0=100 Peak 963 from nnoeabs.peaks (2.72, 7.96, 117.78 ppm; 2.99 A): 2 out of 10 assignments used, quality = 0.68: * HB2 ASP 81 + H ASP 81 OK 65 100 - 65 - 4.0=40, 1.8/964=20...(8) HB2 ASP 81 + H ASP 84 OK 10 59 - 17 - 3398=5, 1.8/3402=5...(6) HB3 ASP 72 - H ASP 81 lone 4 100 - 4 - 6511/4.6=1 HB3 ASN 13 - H ASP 81 lone 4 100 - 4 - 1.8/6548=1, 374/4.6=1 HB3 PHE 17 - H ASP 81 lone 3 99 - 3 - HB3 ASP 72 - H ASP 84 lone 2 59 - 4 - 6295/4.3=1 HB3 ASN 24 - H ASP 81 lone 1 100 - 1 - HB3 ASN 13 - H ASP 84 lone 1 59 - 1 - HB3 PHE 17 - H ASP 84 lone 1 57 - 1 - HB3 ASN 24 - H ASP 84 lone 0 59 - 0 - Peak 964 from nnoeabs.peaks (2.63, 7.96, 117.78 ppm; 3.37 A): 3 out of 6 assignments used, quality = 0.84: * HB3 ASP 81 + H ASP 81 OK 79 100 - 79 - 4.0=57, 1.8/963=29...(6) HB3 ASP 81 + H ASP 84 OK 13 59 - 22 - 3402=8, 1.8/3398=6...(5) HB3 ASP 32 + H ASP 81 OK 13 98 - 13 - 5126/4.5=4, 5128/4.4=2...(5) HB3 ASP 12 - H ASP 81 lone 4 99 - 4 - HB3 ASP 32 - H ASP 84 lone 3 56 - 5 - HB3 ASP 12 - H ASP 84 lone 1 57 - 1 - Peak 965 from nnoeabs.peaks (8.49, 8.49, 117.22 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H TRP 82 + H TRP 82 OK 100 100 - 100 H ASP 72 - H ASP 72 OK 36 36 - 100 Peak 966 from nnoeabs.peaks (4.36, 8.49, 117.22 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + H TRP 82 OK 100 100 - 100 - 3.0=100 Peak 967 from nnoeabs.peaks (2.54, 8.49, 117.22 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.77: * HB2 TRP 82 + H TRP 82 OK 74 100 - 74 - 4.0=49, 1.8/968=24...(8) HB2 ASN 13 + H TRP 82 OK 11 96 - 11 - 4.6/7167=3, 1.8/374=3...(5) HB3 ASN 14 - H TRP 82 lone 7 85 - 8 - 4.0/7167=4, 378/4.6=2 HB2 TRP 82 - H ASP 72 lone 4 45 - 8 - 3416=2, 1.8/3426=2, 4483/4.8=1 HB3 ASN 14 - H ASP 72 lone 3 33 - 10 - 4.0/7167=4, 7207/4.8=3, ~6285=2 HB2 ASN 13 - H ASP 72 lone 3 40 - 7 - 4.6/7167=3 HB3 ASN 43 - H TRP 82 lone 1 97 - 1 - HB3 ASN 43 - H ASP 72 lone 1 41 - 3 - Peak 968 from nnoeabs.peaks (3.09, 8.49, 117.22 ppm; 3.08 A): 1 out of 12 assignments used, quality = 0.73: * HB3 TRP 82 + H TRP 82 OK 73 100 - 73 - 4.0=47, 1.8/967=24...(8) HE3 LYS 41 - H ASP 72 poor 8 45 - 18 - 6259/3.6=8, 4170/4.6=2...(7) HE3 LYS 41 - H TRP 82 lone 6 100 - 6 - 3.8/6576=2, 379/4.6=1 HB2 TYR 33 - H TRP 82 lone 6 100 - 6 - 5168/4.4=1, 379/4.6=1 HB3 TRP 82 - H ASP 72 lone 4 45 - 9 - 3426=2, 1.8/3416=2 HE3 LYS 77 - H TRP 82 lone 3 100 - 3 - 6547/4.6=1 HE2 LYS 77 - H TRP 82 lone 2 76 - 2 - HB2 ASP 56 - H TRP 82 lone 1 71 - 1 - HB2 TYR 33 - H ASP 72 lone 1 45 - 1 - HE3 LYS 77 - H ASP 72 lone 0 44 - 1 - HB2 ASP 56 - H ASP 72 lone 0 26 - 1 - HE2 LYS 77 - H ASP 72 lone 0 28 - 1 - Peak 969 from nnoeabs.peaks (5.26, 8.49, 117.22 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.81: * HD1 TRP 82 + H TRP 82 OK 81 100 - 82 - 5.9=41, 4580/4.0=28...(12) HD1 TRP 82 - H ASP 72 poor 6 45 - 12 - 3436=3, 3.9/3426=2, 3.9/3416=2 HA SER 69 - H TRP 82 lone 4 78 - 5 - 380/4.6=2 HA SER 69 - H ASP 72 lone 1 29 - 2 - Peak 975 from nnoeabs.peaks (8.48, 8.48, 111.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + H PHE 83 OK 100 100 - 100 Peak 976 from nnoeabs.peaks (4.66, 8.48, 111.91 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + H PHE 83 OK 100 100 - 100 - 3.0=100 Peak 977 from nnoeabs.peaks (3.43, 8.48, 111.91 ppm; 3.24 A): 3 out of 5 assignments used, quality = 0.91: * HB2 PHE 83 + H PHE 83 OK 80 100 - 80 - 4.0=53, 1.8/978=25...(12) HA ILE 80 + H PHE 83 OK 42 95 - 45 - 4491/4.0=10, 3.0/982=8...(12) HB2 PHE 34 + H PHE 83 OK 19 93 - 21 - 1.8/6601=7, 4.4/6590=5 HB2 PHE 70 - H PHE 83 lone 9 99 - 9 - 7118/4.0=2, 1.8/6601=2 HB2 SER 89 - H PHE 83 lone 1 83 - 1 - Peak 978 from nnoeabs.peaks (3.48, 8.48, 111.91 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.87: * HB3 PHE 83 + H PHE 83 OK 85 100 - 85 - 4.0=63, 1.8/977=20...(13) HB2 ASN 14 + H PHE 83 OK 16 99 - 16 - 4.0/7167=4, 1.8/378=4...(4) HD3 PRO 74 - H PHE 83 lone 4 96 - 4 - HA ILE 27 - H PHE 83 lone 3 57 - 6 - Peak 982 from nnoeabs.peaks (7.55, 8.48, 111.91 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.96: * QD PHE 83 + H PHE 83 OK 90 100 - 90 - 4.4=57, 2.4/978=27...(17) H ILE 80 + H PHE 83 OK 57 90 - 63 - 3.0/1207=10, 3.6/1208=10...(18) H TYR 33 - H PHE 83 poor 9 68 - 13 - 4.0/379=2, 4.5/6601=2...(4) HE21 GLN 48 - H PHE 83 poor 7 68 - 11 - 1.7/6589=2, 572/3.0=1...(4) Peak 983 from nnoeabs.peaks (7.95, 7.95, 118.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 84 + H ASP 84 OK 100 100 - 100 H ASP 81 + H ASP 81 OK 58 58 - 100 Peak 984 from nnoeabs.peaks (4.46, 7.95, 118.26 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + H ASP 84 OK 100 100 - 100 - 2.9=100 Peak 985 from nnoeabs.peaks (3.19, 7.95, 118.26 ppm; 3.05 A): 2 out of 8 assignments used, quality = 0.70: * HB2 ASP 84 + H ASP 84 OK 63 100 - 63 - 4.0=45, 1.8/986=19...(7) HB2 ASP 84 + H ASP 81 OK 18 59 - 31 - 3538=9, 1.8/3542=6...(7) HB2 PHE 97 - H ASP 81 poor 8 59 - 14 - 6519/4.4=5, 6515/3.6=4 HB2 PHE 97 - H ASP 84 lone 8 100 - 8 - 396/4.6=1, 6519/4324=1 HD3 ARG 57 - H ASP 84 lone 2 92 - 2 - HD2 ARG 57 - H ASP 84 lone 2 89 - 2 - HD3 ARG 57 - H ASP 81 lone 2 50 - 3 - HD2 ARG 57 - H ASP 81 lone 1 47 - 3 - Peak 986 from nnoeabs.peaks (2.78, 7.95, 118.26 ppm; 3.02 A): 2 out of 8 assignments used, quality = 0.69: * HB3 ASP 84 + H ASP 84 OK 62 100 - 62 - 4.0=43, 1.8/985=20...(7) HB3 ASP 84 + H ASP 81 OK 18 59 - 30 - 1.8/3538=7, 3542=7...(7) HB3 PHE 34 - H ASP 84 lone 8 100 - 8 - 6601/4.7=2, 2.4/4677=1 HB3 PHE 70 - H ASP 84 lone 7 100 - 7 - 3542=2, 1.8/388=1 HB3 PHE 34 - H ASP 81 poor 6 58 - 11 - 6518/4.4=3, 6514/3.6=3 HB3 PHE 70 - H ASP 81 lone 5 59 - 8 - 3542=2, 6518/4.4=2, 6514/3.6=2 HB2 ASP 32 - H ASP 81 poor 5 41 - 11 - 6518/4.4=3, 5123/4.5=2...(4) HB2 ASP 32 - H ASP 84 lone 4 81 - 4 - Peak 987 from nnoeabs.peaks (8.62, 8.62, 115.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 85 + H GLY 85 OK 100 100 - 100 Peak 988 from nnoeabs.peaks (3.88, 8.62, 115.40 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 85 + H GLY 85 OK 100 100 - 100 - 3.0=100 Peak 989 from nnoeabs.peaks (4.26, 8.62, 115.40 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 85 + H GLY 85 OK 100 100 - 100 - 3.0=100 Peak 990 from nnoeabs.peaks (8.01, 8.01, 120.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + H LYS 86 OK 100 100 - 100 Peak 991 from nnoeabs.peaks (4.46, 8.01, 120.17 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + H LYS 86 OK 100 100 - 100 - 3.0=100 Peak 992 from nnoeabs.peaks (2.07, 8.01, 120.17 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.92: * HB2 LYS 86 + H LYS 86 OK 92 100 - 92 - 4.0=57, 1.8/993=37...(18) HB2 LYS 35 - H LYS 86 lone 5 85 - 5 - 3.0/995=1, 5243=1 HB2 GLU 28 - H LYS 86 lone 3 99 - 3 - 4996/4.7=1 HB3 GLU 23 - H LYS 86 lone 1 98 - 1 - Peak 993 from nnoeabs.peaks (2.28, 8.01, 120.17 ppm; 2.99 A): 1 out of 5 assignments used, quality = 0.84: * HB3 LYS 86 + H LYS 86 OK 84 100 - 84 - 4.0=40, 1.8/992=26...(21) HG2 MET 50 - H LYS 86 lone 3 98 - 3 - HG2 GLU 28 - H LYS 86 lone 2 83 - 2 - HB3 PRO 73 - H LYS 86 lone 2 90 - 2 - HG3 GLN 36 - H LYS 86 lone 1 81 - 2 - Peak 994 from nnoeabs.peaks (1.50, 8.01, 120.17 ppm; 3.32 A): 2 out of 8 assignments used, quality = 0.94: * HG2 LYS 86 + H LYS 86 OK 91 100 - 91 - 4.7=35, 1.8/995=30...(22) HG2 LYS 94 + H LYS 86 OK 32 97 - 34 - 4.0/6669=8, 2.9/996=4...(12) HG13 ILE 93 - H LYS 86 OK 28 68 - 41 - 2.1/6658=13, 1.8/6811=6...(14) HG3 LYS 41 - H LYS 86 poor 10 95 - 10 - 3556/3.0=2, 1.8/997=1 HG LEU 53 - H LYS 86 lone 7 100 - 7 - 2.1/6658=2 HB2 LYS 41 - H LYS 86 lone 6 68 - 9 - 5466/4.0=1, 3556/3.0=1 HG2 LYS 45 - H LYS 86 lone 5 83 - 6 - HG2 LYS 44 - H LYS 86 lone 3 76 - 3 - Peak 995 from nnoeabs.peaks (1.25, 8.01, 120.17 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.88: * HG3 LYS 86 + H LYS 86 OK 88 100 - 88 - 4.7=34, 2.8/993=27...(19) QB ALA 98 - H LYS 86 lone 6 89 - 7 - 2.9/6670=2, 7001/6669=1 QG2 THR 26 - H LYS 86 lone 5 90 - 5 - 2.1/6660=1 HG3 LYS 35 - H LYS 86 lone 4 89 - 4 - 3.0/992=1 QG2 THR 59 - H LYS 86 lone 3 68 - 4 - Peak 996 from nnoeabs.peaks (1.54, 8.01, 120.17 ppm; 3.47 A): 3 out of 11 assignments used, quality = 0.95: * HD2 LYS 86 + H LYS 86 OK 89 100 - 89 - 3.4/993=25, 3.0/995=24...(20) HB3 LYS 94 + H LYS 86 OK 34 100 - 34 - 3.0/6669=11, 2.9/994=5...(11) HG13 ILE 93 + H LYS 86 OK 33 81 - 41 - 2.1/6658=15, 1.8/6811=7...(9) HB3 LYS 63 - H LYS 86 OK 19 95 - 20 - 2906=5, 1.8/2896=3...(6) HB3 GLU 87 - H LYS 86 OK 17 89 - 19 - 4.0/1127=12, 3558/3.0=3...(4) HB3 LEU 62 - H LYS 86 OK 12 90 - 13 - 4256=2, 3.6/1106=2...(6) HG3 LYS 44 - H LYS 86 lone 3 96 - 3 - HG2 LYS 45 - H LYS 86 lone 3 65 - 4 - HB3 PRO 49 - H LYS 86 lone 2 81 - 2 - HG2 LYS 77 - H LYS 86 lone 1 68 - 1 - HG3 LYS 77 - H LYS 86 lone 1 65 - 1 - Peak 997 from nnoeabs.peaks (1.42, 8.01, 120.17 ppm; 3.94 A): 1 out of 10 assignments used, quality = 0.95: * HD3 LYS 86 + H LYS 86 OK 95 100 - 95 - 5.7=34, 3.4/993=31...(20) HG3 LYS 94 - H LYS 86 OK 29 83 - 35 - 4.0/6669=12, 1.8/994=8...(7) HG2 LYS 63 - H LYS 86 OK 21 96 - 22 - 2.9/2906=4, 2.9/2896=3...(8) HG3 LYS 63 - H LYS 86 OK 21 96 - 22 - 2.9/2906=4, 2.9/2896=3...(8) HG3 LYS 61 - H LYS 86 lone 9 100 - 9 - 5.0/1106=2, 3559/3.0=1 HG2 LYS 61 - H LYS 86 lone 9 100 - 9 - 5.0/1106=2, 3559/3.0=1 HG2 LYS 41 - H LYS 86 poor 8 73 - 11 - 1.8/994=2, 3559/3.0=2...(5) HG13 ILE 51 - H LYS 86 lone 7 96 - 7 - 3612=1 HG3 LYS 45 - H LYS 86 lone 5 85 - 5 - 1.8/994=1 QB ALA 78 - H LYS 86 lone 3 76 - 4 - 6429/6671=1 Peak 1000 from nnoeabs.peaks (8.19, 8.19, 115.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + H GLU 87 OK 100 100 - 100 Peak 1001 from nnoeabs.peaks (4.70, 8.19, 115.59 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 - 100 - 3.0=100 Peak 1002 from nnoeabs.peaks (1.88, 8.19, 115.59 ppm; 3.06 A): 1 out of 12 assignments used, quality = 0.69: * HB2 GLU 87 + H GLU 87 OK 69 100 - 69 - 4.0=44, 1.8/3654=18...(5) HB2 PRO 92 - H GLU 87 lone 7 89 - 8 - 3648=2, 413/4.6=2...(4) HB2 LYS 63 - H GLU 87 lone 6 100 - 6 - 3.9/401=1, 2896/4.6=1...(4) HB ILE 27 - H GLU 87 lone 3 87 - 3 - HB2 LEU 62 - H GLU 87 lone 3 99 - 3 - 4.4/401=1 HB3 LYS 44 - H GLU 87 lone 2 81 - 3 - HB2 LYS 44 - H GLU 87 lone 2 73 - 3 - HD3 LYS 77 - H GLU 87 lone 1 89 - 1 - HB ILE 16 - H GLU 87 lone 1 68 - 1 - HB2 ARG 57 - H GLU 87 lone 0 97 - 0 - HB3 ARG 57 - H GLU 87 lone 0 97 - 0 - HB ILE 37 - H GLU 87 lone 0 60 - 1 - Peak 1003 from nnoeabs.peaks (1.56, 8.19, 115.59 ppm; 3.22 A): 2 out of 7 assignments used, quality = 0.92: * HB3 GLU 87 + H GLU 87 OK 78 100 - 78 - 4.0=51, 1.8/1002=27...(6) HD2 LYS 86 + H GLU 87 OK 62 89 - 71 - 3.4/403=23, 3.4/404=20...(9) HB3 LYS 94 - H GLU 87 poor 10 78 - 13 - 3558/3.6=3, 2.9/405=2...(6) HG3 LYS 44 - H GLU 87 lone 4 100 - 4 - HB3 PRO 49 - H GLU 87 lone 2 100 - 2 - HG2 LYS 77 - H GLU 87 lone 1 98 - 1 - HG3 LYS 77 - H GLU 87 lone 1 97 - 1 - Peak 1004 from nnoeabs.peaks (1.80, 8.19, 115.59 ppm; 3.78 A): 2 out of 7 assignments used, quality = 0.84: * HG2 GLU 87 + H GLU 87 OK 79 100 - 79 - 5.0=42, 1.8/1005=28...(5) HB ILE 93 + H GLU 87 OK 22 99 - 23 - 415/4.6=7, 2.1/6800=5...(6) HB2 LYS 94 - H GLU 87 poor 8 78 - 11 - 2.9/405=3, 1.8/1003=3, 2.9/408=2 HG LEU 62 - H GLU 87 lone 4 97 - 4 - 4257/4.6=1 HB3 GLU 65 - H GLU 87 lone 3 73 - 4 - 3.0/1005=2 HB2 GLN 48 - H GLU 87 lone 2 99 - 2 - HB ILE 39 - H GLU 87 lone 1 78 - 1 - Peak 1005 from nnoeabs.peaks (2.20, 8.19, 115.59 ppm; 3.28 A): 2 out of 8 assignments used, quality = 0.71: * HG3 GLU 87 + H GLU 87 OK 65 100 - 66 - 5.0=27, 3.0/1002=20...(6) HB2 PHE 88 + H GLU 87 OK 16 83 - 19 - 3.6/1128=14, 3.0/402=5 HG2 GLU 65 - H GLU 87 lone 6 100 - 6 - 3666=2 HB3 PRO 92 - H GLU 87 lone 4 63 - 6 - 1.8/1002=3, 1008/4.6=1 HG3 PRO 92 - H GLU 87 lone 3 73 - 4 - 2.3/1002=2 HB VAL 30 - H GLU 87 lone 3 100 - 3 - HB3 GLN 48 - H GLU 87 lone 1 100 - 1 - HB2 PRO 49 - H GLU 87 lone 1 76 - 1 - Peak 1006 from nnoeabs.peaks (9.16, 9.16, 126.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + H PHE 88 OK 100 100 - 100 Peak 1007 from nnoeabs.peaks (4.48, 9.16, 126.95 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 88 + H PHE 88 OK 100 100 - 100 - 3.0=100 Peak 1008 from nnoeabs.peaks (2.18, 9.16, 126.95 ppm; 3.43 A): 2 out of 10 assignments used, quality = 0.97: * HB2 PHE 88 + H PHE 88 OK 93 100 - 93 - 3.6=88, 1.8/1009=34...(7) HG3 GLU 87 + H PHE 88 OK 56 83 - 68 - 3.8/412=22, 3.0/414=19...(9) HB3 PRO 92 - H PHE 88 OK 22 99 - 22 - 4.1/6795=10, 1.8/413=4...(5) HG3 PRO 92 - H PHE 88 OK 16 100 - 16 - 6789/6778=4, 2.3/413=4...(6) HB VAL 30 - H PHE 88 lone 6 92 - 6 - 5043/6799=2 HG2 GLU 65 - H PHE 88 lone 5 92 - 5 - 4363=1 HB3 LYS 35 - H PHE 88 lone 2 89 - 3 - HB3 GLN 48 - H PHE 88 lone 2 87 - 2 - HB2 PRO 73 - H PHE 88 lone 1 93 - 1 - HB3 GLU 58 - H PHE 88 lone 0 81 - 1 - Peak 1009 from nnoeabs.peaks (2.87, 9.16, 126.95 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.90: * HB3 PHE 88 + H PHE 88 OK 90 100 - 90 - 3.6=86, 1.8/1008=16...(6) HB3 PHE 97 - H PHE 88 lone 7 96 - 7 - 4.4/6699=1, 6834/6799=1...(4) Peak 1013 from nnoeabs.peaks (6.21, 9.16, 126.95 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + H PHE 88 OK 100 100 - 100 - 4.5=100 Peak 1014 from nnoeabs.peaks (8.43, 8.43, 103.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 90 + H GLY 90 OK 100 100 - 100 Peak 1015 from nnoeabs.peaks (3.60, 8.43, 103.32 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 90 + H GLY 90 OK 100 100 - 100 - 3.0=100 Peak 1016 from nnoeabs.peaks (4.16, 8.43, 103.32 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 90 + H GLY 90 OK 100 100 - 100 - 3.0=100 Peak 1017 from nnoeabs.peaks (7.76, 7.76, 119.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 91 + H ASN 91 OK 100 100 - 100 H LYS 61 + H LYS 61 OK 54 54 - 100 Peak 1018 from nnoeabs.peaks (5.33, 7.76, 119.06 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 91 + H ASN 91 OK 100 100 - 100 - 3.0=100 Peak 1019 from nnoeabs.peaks (2.91, 7.76, 119.06 ppm; 2.85 A): 2 out of 8 assignments used, quality = 0.89: * HB2 ASN 91 + H ASN 91 OK 67 100 - 67 - 3.6=48, 1.8/3747=10...(7) HB3 ASN 91 + H ASN 91 OK 67 100 - 67 - 3.6=48, 1.8/3747=10...(7) HB2 ASN 91 - H LYS 61 lone 5 56 - 9 - 3.5/527=2, 3.5/533=2...(4) HB3 ASN 91 - H LYS 61 lone 5 56 - 9 - 3.5/527=2, 3.5/533=2...(4) HB3 PHE 97 - H ASN 91 lone 1 65 - 2 - HB2 ASN 24 - H ASN 91 lone 1 100 - 1 - HB2 ASN 24 - H LYS 61 lone 0 56 - 0 - HB3 PHE 97 - H LYS 61 lone 0 30 - 0 - Peak 1020 from nnoeabs.peaks (2.91, 7.76, 119.06 ppm; 2.85 A): 2 out of 8 assignments used, quality = 0.89: * HB3 ASN 91 + H ASN 91 OK 67 100 - 67 - 3.6=48, 1.8/3747=10...(7) HB2 ASN 91 + H ASN 91 OK 67 100 - 67 - 3.6=48, 1.8/3747=10...(7) HB3 ASN 91 - H LYS 61 lone 5 56 - 9 - 3.5/527=2, 3.5/533=2...(4) HB2 ASN 91 - H LYS 61 lone 5 56 - 9 - 3.5/527=2, 3.5/533=2...(4) HB3 PHE 97 - H ASN 91 lone 1 63 - 2 - HB2 ASN 24 - H ASN 91 lone 1 100 - 1 - HB2 ASN 24 - H LYS 61 lone 0 56 - 0 - HB3 PHE 97 - H LYS 61 lone 0 28 - 0 - Peak 1021 from nnoeabs.peaks (7.36, 7.76, 119.06 ppm; 4.26 A): 2 out of 8 assignments used, quality = 0.78: * HD21 ASN 91 + H ASN 91 OK 75 100 - 75 - 5.7=42, 1.7/533=25...(7) HD21 ASN 91 + H LYS 61 OK 13 56 - 22 - 527=9, 1.7/533=7...(5) H GLY 38 - H ASN 91 lone 3 78 - 4 - 5329/5.7=1 QD PHE 97 - H ASN 91 lone 3 68 - 4 - HZ2 TRP 82 - H ASN 91 lone 2 83 - 2 - H GLY 38 - H LYS 61 lone 2 37 - 5 - HZ2 TRP 82 - H LYS 61 lone 1 40 - 2 - QD PHE 97 - H LYS 61 lone 1 31 - 2 - Peak 1022 from nnoeabs.peaks (7.03, 7.76, 119.06 ppm; 4.76 A): 3 out of 14 assignments used, quality = 0.89: * HD22 ASN 91 + H ASN 91 OK 86 100 - 86 - 5.7=59, 1.7/1021=34...(7) HD22 ASN 91 + H LYS 61 OK 15 56 - 27 - 533=11, 1.7/527=9...(6) HD21 ASN 13 + H ASN 91 OK 10 95 - 10 - 4509/3.6=3, 4509/3.6=3...(4) QD PHE 70 - H ASN 91 lone 8 85 - 9 - 4715/3.6=2, 2.5/6759=2...(5) HZ PHE 17 - H LYS 61 lone 4 56 - 7 - 4790/3.6=3, 4789/3.6=2 QE PHE 17 - H LYS 61 lone 3 43 - 7 - 7064/3.6=2, 4653/4.7=2 HZ3 TRP 82 - H ASN 91 lone 3 100 - 2 - HZ PHE 17 - H ASN 91 lone 2 100 - 2 - QD PHE 70 - H LYS 61 lone 2 41 - 4 - QE PHE 17 - H ASN 91 lone 1 87 - 2 - HZ3 TRP 82 - H LYS 61 lone 1 55 - 2 - HE22 GLN 19 - H ASN 91 lone 1 76 - 1 - HD21 ASN 13 - H LYS 61 lone 1 49 - 2 - HE22 GLN 19 - H LYS 61 lone 0 36 - 1 - Peak 1023 from nnoeabs.peaks (8.46, 8.46, 117.14 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + H ILE 93 OK 100 100 - 100 H LEU 21 - H LEU 21 OK 45 45 - 100 H ASP 72 - H ASP 72 OK 30 30 - 100 Peak 1024 from nnoeabs.peaks (5.15, 8.46, 117.14 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H ILE 93 OK 100 100 - 100 - 3.0=100 Peak 1025 from nnoeabs.peaks (1.81, 8.46, 117.14 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + H ILE 93 OK 100 100 - 100 - 4.0=100 Peak 1026 from nnoeabs.peaks (0.72, 8.46, 117.14 ppm; 3.55 A): 2 out of 9 assignments used, quality = 0.95: * QG2 ILE 93 + H ILE 93 OK 92 100 - 92 - 4.0=72, 3817/3.0=32...(13) QG2 ILE 93 + H LEU 21 OK 38 51 - 76 - 6820/3.6=20, 6835/2.9=19...(15) QG2 ILE 51 - H ILE 93 OK 27 100 - 27 - 3805/3.0=6, 433/4.7=5...(7) QG2 ILE 51 - H LEU 21 OK 21 50 - 42 - 4815/2.9=8, 5753/4.7=7...(10) QD1 ILE 40 - H ILE 93 poor 8 63 - 13 - 3805/3.0=2, 433/4.7=1...(5) QD1 ILE 40 - H LEU 21 poor 5 25 - 18 - 4823/4.7=3, 4820/4.7=3...(8) QG2 ILE 51 - H ASP 72 lone 3 43 - 6 - 5731/4.5=2, 5705/4.6=2 QG2 ILE 93 - H ASP 72 lone 2 44 - 4 - QD1 ILE 40 - H ASP 72 lone 2 22 - 9 - 3.3/5386=2, 5396/4.6=2 Peak 1027 from nnoeabs.peaks (1.36, 8.46, 117.14 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.77: * HG12 ILE 93 + H ILE 93 OK 72 100 - 72 - 4.9=33, 1.8/1028=12...(11) HG12 ILE 93 + H LEU 21 OK 20 51 - 39 - 3823=9, 3.2/3816=7...(9) HB3 LEU 53 - H ILE 93 poor 7 57 - 12 - 3.0/7206=4, 3.1/5780=2...(5) HB VAL 68 - H ILE 93 lone 5 100 - 5 - 434/4.7=1, 2.1/6170=1 HG12 ILE 37 - H ILE 93 lone 3 100 - 3 - HG12 ILE 37 - H LEU 21 lone 2 50 - 4 - HB VAL 68 - H LEU 21 lone 2 50 - 4 - HG12 ILE 37 - H ASP 72 lone 2 44 - 4 - HG12 ILE 93 - H ASP 72 lone 1 44 - 3 - HB3 LEU 53 - H LEU 21 lone 1 23 - 6 - 3.1/5780=3, 3.0/7206=1 HB VAL 68 - H ASP 72 lone 1 43 - 2 - HB3 LEU 53 - H ASP 72 lone 0 19 - 1 - Peak 1028 from nnoeabs.peaks (1.52, 8.46, 117.14 ppm; 3.59 A): 6 out of 30 assignments used, quality = 0.91: * HG13 ILE 93 + H ILE 93 OK 80 100 - 80 - 4.9=40, 1.8/1027=24...(9) HG13 ILE 93 + H LEU 21 OK 22 51 - 44 - 3.2/3816=8, 1.8/3823=8...(9) HB3 LYS 94 + H ILE 93 OK 13 90 - 15 - 3864/4.7=10, ~3831=2, 3868/4.9=1 HG LEU 53 + H ILE 93 OK 13 78 - 16 - 4.3/7206=3, 2.1/5780=3...(7) HG2 LYS 94 + H ILE 93 OK 12 92 - 13 - 4.9/430=6, 3831/3.0=4, 3830=1 HG3 LYS 41 + H ASP 72 OK 12 38 - 32 - 5481/3.6=6, 1.8/4165=4...(13) HD2 LYS 86 - H ILE 93 lone 8 81 - 10 - 6665/3.5=4, 5.7/6670=2 HG3 LYS 41 - H ILE 93 lone 7 95 - 7 - HG2 LYS 86 - H ILE 93 lone 7 68 - 10 - 6663/3.5=3, 4.7/6670=3 HB3 LEU 62 - H ILE 93 lone 6 100 - 6 - 5965/4.7=4 HB3 LYS 63 - H ILE 93 lone 3 99 - 3 - 1033/4.7=1 HG3 LYS 41 - H LEU 21 lone 3 44 - 7 - HB3 LEU 62 - H LEU 21 lone 3 50 - 6 - 4256/4.6=3 HD2 LYS 86 - H LEU 21 lone 3 35 - 9 - 4355/4.6=3, 5.7/6670=2 HG LEU 53 - H LEU 21 lone 3 33 - 9 - 2.1/5780=4, 2.1/1029=1 HG2 LYS 86 - H LEU 21 poor 3 28 - 10 - 4.7/6670=3, 4353/4.6=2...(4) HB3 LYS 94 - H LEU 21 lone 3 41 - 6 - 4.0/430=4 HG2 LYS 94 - H LEU 21 lone 3 42 - 6 - 4.9/430=3 HB3 LYS 63 - H LEU 21 lone 2 48 - 5 - 2906/4.6=2 HG2 LYS 45 - H ILE 93 lone 2 99 - 2 - HG2 LYS 45 - H ASP 72 lone 2 42 - 5 - HG13 ILE 93 - H ASP 72 lone 2 44 - 4 - HB3 LYS 63 - H ASP 72 lone 1 41 - 3 - 7107/4.1=2 HG2 LYS 94 - H ASP 72 lone 1 36 - 3 - HG2 LYS 45 - H LEU 21 lone 1 49 - 2 - HG2 LYS 86 - H ASP 72 lone 1 24 - 4 - HG LEU 53 - H ASP 72 lone 1 28 - 2 - HD2 LYS 86 - H ASP 72 lone 1 30 - 2 - HB3 LYS 94 - H ASP 72 lone 0 35 - 1 - HB3 LEU 62 - H ASP 72 lone 0 43 - 1 - Peak 1029 from nnoeabs.peaks (0.79, 8.46, 117.14 ppm; 4.05 A): 2 out of 15 assignments used, quality = 0.95: * QD1 ILE 93 + H ILE 93 OK 92 100 - 92 - 5.0=55, 2.1/1027=27...(17) QD1 ILE 93 + H LEU 21 OK 36 51 - 71 - 6850/4.7=13, 6837/2.9=12...(18) QG1 VAL 25 - H ILE 93 OK 30 100 - 30 - 3808/3.0=6, 3822/4.0=5...(8) QG1 VAL 25 - H LEU 21 OK 30 50 - 60 - 4912/4.7=18, 4911/4.7=16...(11) QD1 LEU 53 - H ILE 93 OK 20 85 - 24 - 4.0/7206=4, 2.1/5780=4...(8) QD1 LEU 53 - H LEU 21 poor 9 37 - 25 - 5827/4.7=8, 2.1/5780=5...(5) QG2 ILE 40 - H ILE 93 poor 9 63 - 14 - 3.3/5396=2, 3808/3.0=2...(6) QG2 VAL 25 - H ILE 93 poor 7 57 - 12 - ~3808=3, 3808/3.0=2, 3822/4.0=1 QG2 VAL 25 - H LEU 21 poor 6 23 - 28 - 4913/4.7=5, 4914/4.7=5...(9) QG2 ILE 40 - H LEU 21 poor 4 25 - 17 - 3.3/5396=3, 5450/4.7=3...(6) QG2 ILE 40 - H ASP 72 poor 4 22 - 18 - 4.1/1093=5, 5421/3.6=3...(6) QD1 ILE 93 - H ASP 72 lone 3 44 - 7 - QG1 VAL 25 - H ASP 72 lone 2 43 - 3 - QD1 LEU 53 - H ASP 72 lone 1 32 - 2 - QG2 VAL 25 - H ASP 72 lone 0 19 - 1 - Peak 1030 from nnoeabs.peaks (8.35, 8.35, 122.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H LYS 94 OK 100 100 - 100 Peak 1031 from nnoeabs.peaks (5.19, 8.35, 122.18 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + H LYS 94 OK 100 100 - 100 - 3.0=100 Peak 1032 from nnoeabs.peaks (1.82, 8.35, 122.18 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.90: * HB2 LYS 94 + H LYS 94 OK 69 100 - 69 - 4.0=38, 1.8/3864=15...(16) HB ILE 93 + H LYS 94 OK 65 93 - 69 - 4.4=29, 3.0/431=24...(14) HG LEU 62 + H LYS 94 OK 12 97 - 12 - 3.0/5965=4, 2.1/5967=2...(4) HB ILE 39 - H LYS 94 lone 5 100 - 5 - 4.4/6868=2, 2.1/6855=1 HB2 LYS 61 - H LYS 94 lone 5 90 - 6 - HB3 GLU 65 - H LYS 94 lone 5 100 - 5 - 3.0/6857=2 HG2 GLU 87 - H LYS 94 lone 3 78 - 3 - 6696/4.7=2 HB2 GLN 48 - H LYS 94 lone 2 90 - 2 - HB2 PRO 74 - H LYS 94 lone 1 92 - 1 - Peak 1033 from nnoeabs.peaks (1.54, 8.35, 122.18 ppm; 3.26 A): 4 out of 10 assignments used, quality = 0.95: * HB3 LYS 94 + H LYS 94 OK 80 100 - 80 - 4.0=52, 1.8/3854=20...(19) HG13 ILE 93 + H LYS 94 OK 57 90 - 63 - 4.2/431=19, 3.0/4377=15...(13) HB3 LEU 62 + H LYS 94 OK 22 97 - 22 - 5965=6, 1.8/5964=3...(7) HB3 LYS 63 + H LYS 94 OK 20 99 - 20 - 2.9/1035=2, 2.9/1035=2...(11) HD2 LYS 86 - H LYS 94 lone 9 100 - 9 - 3606/4.9=2, 3887/4.9=1 HG2 LYS 45 - H LYS 94 lone 7 78 - 8 - HG3 LYS 44 - H LYS 94 lone 5 89 - 5 - HB3 GLU 87 - H LYS 94 lone 4 78 - 5 - 6695/4.7=2 HB3 PRO 49 - H LYS 94 lone 4 68 - 5 - HG3 LYS 41 - H LYS 94 lone 3 60 - 5 - Peak 1034 from nnoeabs.peaks (1.51, 8.35, 122.18 ppm; 3.56 A): 2 out of 8 assignments used, quality = 0.94: * HG2 LYS 94 + H LYS 94 OK 81 100 - 81 - 4.9=38, 2.9/3854=19...(14) HG13 ILE 93 + H LYS 94 OK 67 92 - 73 - 4.2/431=23, 3.0/4377=18...(13) HB3 LEU 62 - H LYS 94 OK 22 83 - 26 - 5965=6, 1.8/5964=3...(10) HG LEU 53 - H LYS 94 OK 21 99 - 21 - 2.1/5781=4, 2.1/436=4...(8) HB3 LYS 63 - H LYS 94 OK 18 76 - 23 - 3848/3.0=2, 3868/4.0=2...(11) HG2 LYS 45 - H LYS 94 OK 13 98 - 13 - 3848/3.0=2, 3858/4.0=2...(4) HG2 LYS 86 - H LYS 94 OK 11 97 - 11 - 3848/3.0=3, 3588/4.0=3...(4) HG3 LYS 41 - H LYS 94 lone 8 100 - 8 - Peak 1035 from nnoeabs.peaks (1.44, 8.35, 122.18 ppm; 4.13 A): 2 out of 12 assignments used, quality = 0.94: * HG3 LYS 94 + H LYS 94 OK 91 100 - 91 - 4.9=59, 2.9/3854=24...(14) HG13 ILE 51 + H LYS 94 OK 35 99 - 36 - 3.2/433=11, 2.1/6855=9...(8) HB ILE 51 - H LYS 94 OK 32 90 - 36 - 2.1/433=13, 3.2/6855=7...(7) HG2 LYS 63 - H LYS 94 OK 31 99 - 31 - 3849/3.0=4, 2.9/1033=4...(17) HG3 LYS 63 - H LYS 94 OK 31 99 - 31 - 3849/3.0=4, 2.9/1033=4...(17) QB ALA 31 - H LYS 94 OK 22 78 - 28 - 2.1/4436=7, 2.9/6868=6...(7) HG3 LYS 61 - H LYS 94 OK 15 83 - 18 - 3.0/1037=2, 3.0/1036=2...(9) HG2 LYS 61 - H LYS 94 OK 14 81 - 18 - 3.0/1037=2, 3.0/1036=2...(9) HG12 ILE 80 - H LYS 94 OK 13 97 - 13 - ~6533=4, 442/4.5=3...(5) HD3 LYS 86 - H LYS 94 OK 11 83 - 13 - 3849/3.0=2, 1.8/1033=2...(7) QG2 THR 67 - H LYS 94 lone 8 97 - 8 - HB2 LYS 41 - H LYS 94 lone 5 63 - 8 - 4.6/7168=2, 3.0/1034=1 Peak 1036 from nnoeabs.peaks (1.68, 8.35, 122.18 ppm; 4.35 A): 2 out of 19 assignments used, quality = 0.98: * HD2 LYS 94 + H LYS 94 OK 87 100 - 87 - 6.1=36, 3.4/3854=24...(18) HD3 LYS 94 + H LYS 94 OK 87 100 - 87 - 6.1=36, 3.4/3854=24...(18) HD3 LYS 35 - H LYS 94 OK 40 99 - 41 - 1844=8, 1.8/1834=7...(10) HD3 LYS 63 - H LYS 94 OK 30 100 - 30 - 3.0/1035=3, 3.0/1035=3...(15) HD2 LYS 61 - H LYS 94 OK 27 100 - 27 - 3905/3.0=3, 3871/4.0=2...(16) HD3 LYS 61 - H LYS 94 OK 27 100 - 27 - 3905/3.0=3, 3871/4.0=2...(16) HB ILE 40 - H LYS 94 OK 17 100 - 17 - 3.9/6868=5, 3.2/433=3...(4) HD2 LYS 44 - H LYS 94 OK 14 100 - 14 - 3905/3.0=1, 3871/4.0=1 HD3 LYS 44 - H LYS 94 OK 14 100 - 14 - 3905/3.0=1, 3871/4.0=1 QB ALA 79 - H LYS 94 OK 13 98 - 13 - 444/4.5=2, 6475/6052=2 HB3 LYS 61 - H LYS 94 OK 11 85 - 13 - 3.0/1035=2, 3.0/1035=2...(5) HD3 LYS 45 - H LYS 94 OK 11 73 - 15 - 2.9/1034=2, 3851/3.0=2...(6) HD2 LYS 45 - H LYS 94 OK 11 68 - 16 - 2.9/1034=2, 3851/3.0=1...(8) HG12 ILE 39 - H LYS 94 lone 8 92 - 9 - 3.2/6855=2, 2.9/1032=1 HG12 ILE 27 - H LYS 94 lone 6 85 - 7 - HB2 MET 50 - H LYS 94 lone 6 65 - 9 - 4.6/1099=4 HG3 ARG 57 - H LYS 94 lone 5 100 - 5 - HG2 ARG 57 - H LYS 94 lone 5 100 - 5 - HD2 LYS 77 - H LYS 94 lone 2 71 - 3 - Peak 1037 from nnoeabs.peaks (1.68, 8.35, 122.18 ppm; 4.35 A): 2 out of 19 assignments used, quality = 0.98: HD2 LYS 94 + H LYS 94 OK 87 100 - 87 - 6.1=36, 3.4/3854=24...(18) * HD3 LYS 94 + H LYS 94 OK 87 100 - 87 - 6.1=36, 3.4/3854=24...(18) HD3 LYS 35 - H LYS 94 OK 40 99 - 41 - 1844=8, 1.8/1834=7...(10) HD3 LYS 63 - H LYS 94 OK 30 100 - 30 - 3.0/1035=3, 3.0/1035=3...(15) HD2 LYS 61 - H LYS 94 OK 27 100 - 27 - 3905/3.0=3, 3871/4.0=2...(16) HD3 LYS 61 - H LYS 94 OK 27 100 - 27 - 3905/3.0=3, 3871/4.0=2...(16) HB ILE 40 - H LYS 94 OK 17 100 - 17 - 3.9/6868=5, 3.2/433=3...(4) HD2 LYS 44 - H LYS 94 OK 14 100 - 14 - 3905/3.0=1, 3871/4.0=1 HD3 LYS 44 - H LYS 94 OK 14 100 - 14 - 3905/3.0=1, 3871/4.0=1 QB ALA 79 - H LYS 94 OK 13 98 - 13 - 444/4.5=2, 6475/6052=2 HB3 LYS 61 - H LYS 94 OK 11 85 - 13 - 3.0/1035=2, 3.0/1035=2...(5) HD3 LYS 45 - H LYS 94 OK 11 73 - 15 - 2.9/1034=2, 3851/3.0=2...(6) HD2 LYS 45 - H LYS 94 OK 11 68 - 16 - 2.9/1034=2, 3851/3.0=1...(8) HG12 ILE 39 - H LYS 94 lone 8 92 - 9 - 3.2/6855=2, 2.9/1032=1 HG12 ILE 27 - H LYS 94 lone 6 85 - 7 - HB2 MET 50 - H LYS 94 lone 6 65 - 9 - 4.6/1099=4 HG3 ARG 57 - H LYS 94 lone 5 100 - 5 - HG2 ARG 57 - H LYS 94 lone 5 100 - 5 - HD2 LYS 77 - H LYS 94 lone 2 71 - 3 - Peak 1040 from nnoeabs.peaks (9.37, 9.37, 125.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + H VAL 95 OK 100 100 - 100 Peak 1041 from nnoeabs.peaks (4.96, 9.37, 125.38 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 95 + H VAL 95 OK 100 100 - 100 - 3.0=100 Peak 1042 from nnoeabs.peaks (1.95, 9.37, 125.38 ppm; 3.62 A): 1 out of 6 assignments used, quality = 0.94: * HB VAL 95 + H VAL 95 OK 94 100 - 94 - 3.9=83, 2.1/3944=35...(12) HB3 LYS 45 - H VAL 95 OK 11 100 - 11 - 3.0/441=2, 6629/6619=1 HB2 LYS 45 - H VAL 95 OK 11 100 - 11 - 3.0/441=2, 6629/6619=1 HG3 PRO 49 - H VAL 95 lone 6 99 - 6 - 6513/6543=1 HG2 GLN 19 - H VAL 95 lone 4 60 - 7 - 4734/4.6=3, ~4741=2 HG3 PRO 73 - H VAL 95 lone 4 100 - 4 - Peak 1043 from nnoeabs.peaks (1.10, 9.37, 125.38 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.94: * QG2 VAL 95 + H VAL 95 OK 92 100 - 92 - 4.0=69, 2.1/1042=24...(15) HG LEU 21 + H VAL 95 OK 23 100 - 23 - 6856/4.5=5, 450/4.6=5...(8) QG2 THR 99 + H VAL 95 OK 12 87 - 14 - 7029/3.9=7, 6858/3.6=2...(4) Peak 1044 from nnoeabs.peaks (0.98, 9.37, 125.38 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 95 + H VAL 95 OK 100 100 - 100 - 4.0=100 Peak 1045 from nnoeabs.peaks (8.93, 8.93, 119.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 96 + H SER 96 OK 100 100 - 100 Peak 1046 from nnoeabs.peaks (4.70, 8.93, 119.54 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 96 + H SER 96 OK 100 100 - 100 - 3.0=100 Peak 1047 from nnoeabs.peaks (4.11, 8.93, 119.54 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 96 + H SER 96 OK 100 100 - 100 - 4.1=100 Peak 1048 from nnoeabs.peaks (3.97, 8.93, 119.54 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 96 + H SER 96 OK 100 100 - 100 - 4.1=100 Peak 1049 from nnoeabs.peaks (8.89, 8.89, 119.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 97 + H PHE 97 OK 100 100 - 100 Peak 1050 from nnoeabs.peaks (4.77, 8.89, 119.91 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 97 + H PHE 97 OK 100 100 - 100 - 2.9=100 Peak 1051 from nnoeabs.peaks (3.19, 8.89, 119.91 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.88: * HB2 PHE 97 + H PHE 97 OK 88 100 - 88 - 4.0=66, 1.8/1052=35...(8) HB2 ASP 84 - H PHE 97 lone 8 100 - 8 - 6638/6965=2, 458/4.6=1...(5) HD3 ARG 57 - H PHE 97 lone 1 95 - 1 - HD2 ARG 57 - H PHE 97 lone 1 92 - 1 - Peak 1052 from nnoeabs.peaks (2.88, 8.89, 119.91 ppm; 3.11 A): 1 out of 5 assignments used, quality = 0.78: * HB3 PHE 97 + H PHE 97 OK 78 100 - 78 - 4.0=48, 1.8/1051=26...(8) HB3 PHE 88 - H PHE 97 lone 7 96 - 7 - 6940/4.5=2, 6719/6968=2...(4) HB2 ASN 91 - H PHE 97 lone 1 65 - 2 - HB3 ASN 91 - H PHE 97 lone 1 63 - 2 - HB2 ASN 24 - H PHE 97 lone 1 65 - 1 - Peak 1056 from nnoeabs.peaks (7.34, 8.89, 119.91 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.86: * QD PHE 97 + H PHE 97 OK 85 100 - 85 - 4.5=48, 2.4/1052=32...(9) H GLY 38 + H PHE 97 OK 10 100 - 10 - 463/4.6=3, 6537/6968=2...(4) HZ2 TRP 82 - H PHE 97 lone 5 100 - 5 - 463/4.6=2 HD21 ASN 91 - H PHE 97 lone 3 78 - 4 - Peak 1057 from nnoeabs.peaks (8.47, 8.47, 124.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 98 + H ALA 98 OK 100 100 - 100 Peak 1058 from nnoeabs.peaks (4.37, 8.47, 124.60 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 98 + H ALA 98 OK 100 100 - 100 - 3.0=100 Peak 1059 from nnoeabs.peaks (1.27, 8.47, 124.60 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.93: * QB ALA 98 + H ALA 98 OK 91 100 - 91 - 2.9=86, 7000/3.6=9...(12) HG12 ILE 16 + H ALA 98 OK 23 76 - 30 - 4.1/6996=10, 4.9/6983=8...(6) HG13 ILE 39 - H ALA 98 lone 3 85 - 4 - QG2 THR 26 - H ALA 98 lone 3 100 - 3 - HG3 LYS 86 - H ALA 98 lone 3 89 - 3 - HG3 LYS 35 - H ALA 98 lone 2 100 - 2 - Peak 1060 from nnoeabs.peaks (7.81, 7.81, 119.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 99 + H THR 99 OK 100 100 - 100 Peak 1061 from nnoeabs.peaks (4.14, 7.81, 119.69 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 99 + H THR 99 OK 100 100 - 100 - 3.0=100 Peak 1062 from nnoeabs.peaks (4.20, 7.81, 119.69 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 99 + H THR 99 OK 100 100 - 100 - 3.9=100 Peak 1063 from nnoeabs.peaks (1.08, 7.81, 119.69 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.82: * QG2 THR 99 + H THR 99 OK 82 100 - 82 - 4.0=63, 4023/3.0=28...(5) QG2 VAL 95 - H THR 99 lone 3 87 - 4 - 4023/3.0=2, 6927/4.6=1 HG LEU 21 - H THR 99 lone 2 78 - 3 - 1459/4.6=2 Peak 1065 from nnoeabs.peaks (8.39, 8.09, 119.08 ppm; 5.85 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 14 + H ASN 13 OK 100 100 - 100 - 4.6=100 Peak 1067 from nnoeabs.peaks (8.81, 8.46, 118.65 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 16 + H THR 15 OK 99 100 - 99 - 4.6=97, 22/3.0=43...(15) H ASN 43 + H THR 42 OK 60 61 - 99 - 4.6=97, 185/3.0=29...(6) H ASN 43 - H THR 15 OK 19 99 - 19 - 4046/4.0=5, 4044/3.0=5...(5) H ILE 16 - H THR 42 OK 15 62 - 24 - 21=3, 622/4.6=3...(8) H GLU 28 - H THR 15 OK 14 95 - 15 - 4046/4.0=5, 4044/3.0=4 H GLU 28 - H THR 42 poor 8 54 - 14 - 4173/4.0=5, 4172/4.0=4 Peak 1068 from nnoeabs.peaks (9.54, 8.81, 118.72 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + H ILE 16 OK 100 100 - 100 - 4.6=100 Peak 1069 from nnoeabs.peaks (8.94, 9.54, 123.74 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.98: * H VAL 18 + H PHE 17 OK 88 100 - 88 - 4.6=50, 33/2.9=34...(17) H SER 96 + H PHE 17 OK 81 99 - 82 - 6931=48, 4.1/6932=14...(14) H ALA 66 - H PHE 17 OK 41 90 - 46 - 6051/2.9=15, 2.9/4671=8...(14) H ASP 56 - H PHE 17 OK 13 99 - 12 - 6051/2.9=3, 4055/4.0=1...(5) H PHE 70 - H PHE 17 OK 10 68 - 15 - 6216/4.6=7, 6233/4.4=2 Peak 1070 from nnoeabs.peaks (8.72, 8.94, 127.85 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + H VAL 18 OK 100 100 - 100 - 4.7=100 Peak 1071 from nnoeabs.peaks (8.21, 8.72, 122.18 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 20 + H GLN 19 OK 100 100 - 100 - 4.6=98, 46/2.9=40...(14) H SER 29 - H GLN 19 OK 29 90 - 31 - 1140=6, 4064/4.0=4...(11) H GLU 87 - H GLN 19 OK 16 83 - 19 - 4065/4.0=4, 4064/4.0=4...(7) H ASP 12 - H GLN 19 lone 7 92 - 8 - 4064/4.0=1, 4065/4.0=1...(4) Peak 1072 from nnoeabs.peaks (8.47, 8.21, 109.03 ppm; 3.09 A): 2 out of 9 assignments used, quality = 0.75: * H LEU 21 + H GLY 20 OK 59 100 - 59 - 4.6=30, 54/2.9=9...(11) H ILE 93 + H GLY 20 OK 39 96 - 41 - 53=8, ~4766=7, ~4765=7...(8) H ALA 98 - H GLY 20 lone 8 99 - 8 - 457/3.6=2, 3.6/46=1 H THR 15 - H GLY 20 lone 7 95 - 7 - 3.0/4764=3 H PHE 83 - H GLY 20 lone 4 97 - 5 - H THR 42 - H GLY 20 lone 4 100 - 4 - H ASP 71 - H GLY 20 lone 2 87 - 2 - H ASP 72 - H GLY 20 lone 1 98 - 1 - H TRP 82 - H GLY 20 lone 1 71 - 1 - Peak 1073 from nnoeabs.peaks (8.00, 8.47, 117.63 ppm; 3.62 A): 3 out of 10 assignments used, quality = 0.91: * H GLY 22 + H LEU 21 OK 83 100 - 83 - 4.6=48, 57/2.9=27...(12) H LYS 86 + H LEU 21 OK 31 93 - 33 - 6670=7, 6657/5.2=4...(12) H PHE 34 + H LEU 21 OK 24 97 - 25 - 5223/4.7=5, 4769/3.6=4...(7) H VAL 30 - H LEU 21 OK 19 71 - 26 - 5103/4.7=5, 3.0/54=3...(11) H GLY 22 - H ILE 93 OK 15 51 - 31 - 56=8, 6801/4.0=5...(12) H LYS 86 - H ILE 93 OK 14 43 - 33 - 6658/5.0=8, 6670=7...(8) H LYS 63 - H LEU 21 OK 14 100 - 14 - 4769/3.6=2, 3.0/4798=2...(5) H PHE 34 - H ILE 93 poor 7 47 - 15 - 6801/4.0=4, 6806/5.0=3...(4) H LYS 63 - H ILE 93 poor 6 51 - 12 - 1107/4.7=2, 6801/4.0=2...(5) H VAL 30 - H ILE 93 poor 4 29 - 12 - 5037/4.0=3, ~6830=2, 6806/5.0=1 Peak 1074 from nnoeabs.peaks (8.11, 8.00, 104.72 ppm; 3.82 A): 4 out of 5 assignments used, quality = 0.87: * H GLU 23 + H GLY 22 OK 78 100 - 79 - 4.6=56, 64/3.0=27...(5) H ALA 79 + H GLY 22 OK 19 99 - 19 - 7133=4, 4076/3.0=4...(6) H ILE 39 + H GLY 22 OK 14 100 - 14 - 4077/3.0=4, 4076/3.0=4...(4) H VAL 68 + H GLY 22 OK 12 60 - 21 - 3.0/4835=6, 4.0/62=5...(7) H ASN 13 - H GLY 22 lone 3 78 - 4 - 4.6/4846=1, 4077/3.0=1 Peak 1075 from nnoeabs.peaks (8.39, 8.11, 113.44 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.90: * H ASN 24 + H GLU 23 OK 88 100 - 89 - 4.5=61, 4.1/661=22...(11) H ASN 14 + H GLU 23 OK 12 100 - 12 - 4538/3.0=5, 4538/3.6=3...(4) H ASN 52 - H GLU 23 lone 3 71 - 4 - 4848/3.6=1 Peak 1076 from nnoeabs.peaks (6.84, 8.39, 116.52 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.81: * H VAL 25 + H ASN 24 OK 81 100 - 81 - 4.6=44, 4083/2.9=26...(10) QE TYR 54 - H ASN 24 lone 9 99 - 9 - 4853/3.6=2, 4083/2.9=2...(4) HZ PHE 70 - H ASN 24 lone 5 85 - 6 - 4853/3.6=1, 4851/4.5=1 Peak 1077 from nnoeabs.peaks (7.30, 6.84, 118.19 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.99: * H THR 26 + H VAL 25 OK 99 100 - 99 - 4.6=92, 4086/3.0=46...(8) Peak 1078 from nnoeabs.peaks (9.07, 7.30, 111.48 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 27 + H THR 26 OK 100 100 - 100 - 4.6=100 Peak 1079 from nnoeabs.peaks (8.80, 9.07, 122.12 ppm; 3.43 A): 3 out of 3 assignments used, quality = 0.88: * H GLU 28 + H ILE 27 OK 83 100 - 83 - 87=50, 4.4/1573=17...(11) H ILE 16 + H ILE 27 OK 21 95 - 23 - 4094/4.0=4, 4095/4.0=3...(9) H ASN 43 + H ILE 27 OK 14 99 - 14 - 4095/4.0=3, 4094/4.0=3...(7) Peak 1080 from nnoeabs.peaks (8.23, 8.80, 118.07 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.84: * H SER 29 + H GLU 28 OK 79 100 - 80 - 94=37, 96/3.7=16...(15) H GLY 20 + H GLU 28 OK 12 90 - 13 - 4406/3.6=2, 4101/3.7=2...(7) H ASP 12 + H GLU 28 OK 11 100 - 11 - 4100/3.7=2, 4101/3.7=2...(6) Peak 1081 from nnoeabs.peaks (7.97, 8.23, 115.72 ppm; 3.04 A): 2 out of 7 assignments used, quality = 0.68: * H VAL 30 + H SER 29 OK 64 100 - 64 - 100=31, 4.6/1646=10...(11) H PHE 34 + H SER 29 OK 11 91 - 12 - 5180/1146=2, 4106/4.0=2...(5) H GLY 22 - H SER 29 poor 7 70 - 10 - 4846=2 HE21 GLN 19 - H SER 29 lone 7 77 - 8 - 3.5/97=2, 4.6/4064=1...(4) H ASP 81 - H SER 29 lone 5 91 - 5 - H ASP 84 - H SER 29 lone 3 82 - 4 - H LYS 63 - H SER 29 lone 3 70 - 4 - Peak 1082 from nnoeabs.peaks (8.70, 7.97, 124.77 ppm; 2.92 A): 3 out of 4 assignments used, quality = 0.72: * H ALA 31 + H VAL 30 OK 61 100 - 61 - 4.6=25, 4.4/698=8...(16) H ILE 40 + H VAL 30 OK 20 99 - 20 - 4.7/5037=3, 4108/4.0=2...(8) H GLN 19 + H VAL 30 OK 11 83 - 13 - 4.6/100=2, 4108/4.0=2...(5) H LYS 41 - H VAL 30 poor 8 65 - 12 - 3.0/103=2, 4.0/5036=1...(5) Peak 1083 from nnoeabs.peaks (8.31, 8.70, 123.11 ppm; 3.18 A): 3 out of 3 assignments used, quality = 0.79: * H ASP 32 + H ALA 31 OK 73 100 - 73 - 109=34, 4112/2.9=20...(15) H LYS 45 + H ALA 31 OK 13 100 - 12 - 4112/2.9=4, 3.6/1147=2...(4) H GLY 64 + H ALA 31 OK 11 87 - 13 - 4423/3.6=2, 4112/2.9=2...(4) Peak 1084 from nnoeabs.peaks (7.53, 8.31, 115.33 ppm; 3.09 A): 2 out of 3 assignments used, quality = 0.69: * H TYR 33 + H ASP 32 OK 64 100 - 64 - 4.6=30, 4.5/1680=12...(13) H GLN 36 + H ASP 32 OK 15 73 - 21 - 7156/3.0=3, 5078/3.5=3...(7) QD PHE 83 - H ASP 32 lone 6 63 - 10 - 1149/4.6=1, 4430/3.6=1, ~4802=1 Peak 1085 from nnoeabs.peaks (7.99, 7.53, 119.11 ppm; 3.39 A): 3 out of 5 assignments used, quality = 0.93: * H PHE 34 + H TYR 33 OK 83 100 - 83 - 4.6=39, 119/4.0=19...(17) H VAL 30 + H TYR 33 OK 50 92 - 54 - 3.0/4424=13, 4.6/1149=8...(13) H LYS 63 + H TYR 33 OK 13 97 - 14 - 4.7/112=3, 4118/4.0=2...(5) H GLY 22 - H TYR 33 lone 9 97 - 10 - 4118/4.0=1, 4117/4.0=1 H LYS 86 - H TYR 33 lone 4 73 - 5 - Peak 1086 from nnoeabs.peaks (8.35, 7.99, 112.45 ppm; 3.09 A): 4 out of 4 assignments used, quality = 0.84: * H LYS 35 + H PHE 34 OK 71 100 - 71 - 4.6=29, 4.3/723=11...(16) H GLY 64 + H PHE 34 OK 24 92 - 26 - 288=5, 3.0/1163=4...(9) H LYS 94 + H PHE 34 OK 16 98 - 16 - 4.4/6801=2, 4444/3.6=1 H ASN 52 + H PHE 34 OK 11 83 - 13 - 5767/5224=3, 2.9/5183=2...(4) Peak 1087 from nnoeabs.peaks (7.50, 8.35, 118.82 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.84: * H GLN 36 + H LYS 35 OK 76 100 - 76 - 4.6=34, 134/3.8=17...(14) H TYR 33 + H LYS 35 OK 34 73 - 46 - 3.6/1167=10, 4.6/1086=9...(13) Peak 1088 from nnoeabs.peaks (7.81, 7.50, 116.16 ppm; 3.03 A): 2 out of 2 assignments used, quality = 0.78: * H ILE 37 + H GLN 36 OK 74 100 - 74 - 142=41, 5293/3.6=12...(12) H THR 99 + H GLN 36 OK 16 100 - 16 - 4139/4.0=3, 4140/5.0=2...(7) Peak 1089 from nnoeabs.peaks (7.34, 7.81, 116.34 ppm; 2.82 A): 3 out of 4 assignments used, quality = 0.75: * H GLY 38 + H ILE 37 OK 68 100 - 68 - 150=39, 4.4/744=9...(11) HZ2 TRP 82 + H ILE 37 OK 13 100 - 13 - 4147/4.5=3, 4144/4.0=2...(5) QD PHE 97 + H ILE 37 OK 12 100 - 11 - 4.9/1135=2, 5255/3.5=2...(6) HD21 ASN 91 - H ILE 37 lone 2 78 - 3 - Peak 1090 from nnoeabs.peaks (8.12, 7.34, 107.24 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.95: * H ILE 39 + H GLY 38 OK 92 100 - 92 - 4.6=77, 158/3.0=35...(10) H ALA 79 + H GLY 38 OK 40 100 - 41 - 5318/4.4=12, 5323/156=5...(11) H GLU 23 - H GLY 38 OK 22 100 - 21 - 4149/3.0=3, 3.6/4843=3...(7) H ASN 13 - H GLY 38 poor 9 76 - 12 - 4.0/4506=4, 4.0/4505=3 H VAL 68 - H GLY 38 poor 7 57 - 13 - 4.0/154=3, 6143/4.4=2...(4) Peak 1091 from nnoeabs.peaks (8.71, 8.12, 117.46 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 40 + H ILE 39 OK 94 100 - 94 - 4.7=73, 4150/3.0=30...(12) H ALA 31 + H ILE 39 OK 37 99 - 38 - 4150/3.0=9, 4152/4.0=8...(7) H GLN 19 - H ILE 39 OK 16 95 - 16 - 4150/3.0=3, 4152/4.0=3...(6) Peak 1093 from nnoeabs.peaks (8.47, 8.68, 130.16 ppm; 3.72 A): 3 out of 9 assignments used, quality = 0.98: * H THR 42 + H LYS 41 OK 86 100 - 87 - 4.6=54, 175/3.0=31...(18) H ASP 71 + H LYS 41 OK 68 81 - 85 - 6241=24, 3.6/5469=23...(20) H ASP 72 + H LYS 41 OK 55 99 - 55 - 4.6/6241=11, 3.6/6242=11...(13) H THR 15 - H LYS 41 OK 18 90 - 20 - 174=4, 175/3.0=3...(10) H ALA 98 - H LYS 41 OK 11 100 - 11 - 4.6/5483=4, 5386/4.1=1 H PHE 83 - H LYS 41 OK 11 99 - 11 - 5386/4.1=1, 6602/4.5=1...(4) H LEU 21 - H LYS 41 lone 9 100 - 9 - 5386/4.1=2 H ILE 93 - H LYS 41 lone 8 92 - 9 - 5386/4.1=1, 5382/3.6=1 H TRP 82 - H LYS 41 lone 5 78 - 6 - 6576/4.9=1 Peak 1094 from nnoeabs.peaks (8.81, 8.47, 118.31 ppm; 4.51 A): 2 out of 6 assignments used, quality = 0.99: * H ASN 43 + H THR 42 OK 97 100 - 97 - 4.6=93, 185/3.0=28...(8) H ILE 16 + H THR 15 OK 59 61 - 98 - 4.6=92, 22/3.0=42...(14) H ILE 16 - H THR 42 OK 25 99 - 25 - 21=3, 622/4.6=3...(10) H GLU 28 - H THR 42 OK 15 99 - 15 - 4173/4.0=5, 4172/4.0=4...(4) H ASN 43 - H THR 15 OK 11 62 - 17 - 4046/4.0=5, 4044/3.0=5...(4) H GLU 28 - H THR 15 poor 7 60 - 12 - 92/4.0=5, 4044/3.0=4 Peak 1095 from nnoeabs.peaks (7.42, 8.31, 117.32 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.74: * H THR 46 + H LYS 45 OK 74 100 - 75 - 4.6=46, 4.7/5547=12...(9) QD PHE 34 - H LYS 45 lone 6 99 - 6 - H ALA 76 - H LYS 45 lone 4 81 - 5 - Peak 1096 from nnoeabs.peaks (8.64, 7.42, 105.38 ppm; 3.08 A): 1 out of 2 assignments used, quality = 0.74: * H GLY 47 + H THR 46 OK 74 100 - 74 - 207=42, 4.3/799=13...(13) H GLY 85 - H THR 46 lone 7 78 - 8 - 5547/4.6=1, 5551/4.0=1...(4) Peak 1097 from nnoeabs.peaks (7.66, 8.64, 111.48 ppm; 3.11 A): 2 out of 6 assignments used, quality = 0.86: * H GLN 48 + H GLY 47 OK 77 100 - 77 - 211=46, 3.6/801=17...(14) HD21 ASN 43 + H GLY 47 OK 41 99 - 41 - 3.5/5575=15, 3.5/5576=11...(8) H SER 69 - H GLY 47 lone 3 78 - 4 - H TYR 54 - H GLY 47 lone 1 93 - 1 - HD22 ASN 24 - H GLY 47 lone 0 68 - 0 - HE22 GLN 36 - H GLY 47 lone 0 65 - 0 - Peak 1098 from nnoeabs.peaks (7.71, 8.88, 124.20 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.97: * H ILE 51 + H MET 50 OK 97 100 - 97 - 4.6=73, 4204/3.0=43...(15) Peak 1099 from nnoeabs.peaks (8.37, 7.71, 126.17 ppm; 4.38 A): 1 out of 5 assignments used, quality = 0.97: * H ASN 52 + H ILE 51 OK 97 100 - 97 - 4.6=85, 229/3.0=40...(9) H LYS 94 - H ILE 51 OK 28 97 - 29 - 433/4.0=9, 6855/4.9=5...(6) H LYS 35 - H ILE 51 OK 14 83 - 17 - 7035/4.9=4, 4212/4.0=4...(6) H ASN 24 - H ILE 51 lone 7 71 - 9 - 2.9/5725=2, 4868/5.2=2...(4) H ASN 14 - H ILE 51 lone 2 71 - 3 - Peak 1100 from nnoeabs.peaks (8.58, 8.37, 124.78 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.93: * H LEU 53 + H ASN 52 OK 93 100 - 93 - 4.6=72, 4216/2.9=41...(10) H GLU 58 - H ASN 52 poor 8 76 - 10 - 5706/4.1=2, 4216/2.9=2...(4) Peak 1101 from nnoeabs.peaks (7.64, 8.58, 122.33 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + H LEU 53 OK 100 100 - 100 - 4.6=100 Peak 1102 from nnoeabs.peaks (8.06, 8.56, 117.38 ppm; 3.18 A): 1 out of 4 assignments used, quality = 0.69: * H THR 59 + H GLU 58 OK 69 100 - 70 - 258=41, 4.6/2712=12...(8) H SER 75 - H GLU 58 lone 7 100 - 7 - 4236/4.0=2, 4237/4.0=2 H VAL 68 - H GLU 58 lone 4 78 - 5 - H ASN 13 - H GLU 58 lone 1 60 - 1 - Peak 1103 from nnoeabs.peaks (8.43, 8.06, 106.71 ppm; 3.24 A): 1 out of 6 assignments used, quality = 0.71: * H GLY 60 + H THR 59 OK 71 100 - 72 - 264=43, 4.2/2744=14...(10) H GLY 90 - H THR 59 lone 6 100 - 6 - 4.6/5922=4 H THR 67 - H THR 59 lone 3 99 - 3 - H ASP 71 - H THR 59 lone 2 89 - 2 - H THR 15 - H THR 59 lone 2 78 - 2 - H ILE 93 - H THR 59 lone 1 76 - 1 - Peak 1104 from nnoeabs.peaks (7.76, 8.43, 111.14 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.74: * H LYS 61 + H GLY 60 OK 65 100 - 65 - 4.6=40, 5924/4.4=10...(14) H ASN 91 + H GLY 60 OK 27 99 - 27 - 268=6, 5923/3.6=5...(6) Peak 1105 from nnoeabs.peaks (8.77, 7.76, 119.54 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 62 + H LYS 61 OK 99 100 - 99 - 4.5=96, 4246/3.6=34...(11) H LEU 62 - H ASN 91 lone 4 56 - 6 - 5853/5856=1 Peak 1106 from nnoeabs.peaks (8.00, 8.77, 122.41 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.98: * H LYS 63 + H LEU 62 OK 98 100 - 98 - 4.6=89, 282/3.0=30...(18) H GLY 22 - H LEU 62 OK 29 100 - 30 - 4256/3.6=6, 4259/4.5=5...(7) H PHE 34 - H LEU 62 OK 21 97 - 22 - 4259/4.5=4, 4256/3.6=4...(6) H LYS 86 - H LEU 62 OK 20 93 - 21 - 4.0/5701=5, 4256/3.6=3...(6) H VAL 30 - H LEU 62 OK 11 71 - 16 - 3.9/878=3, 3.9/878=3...(8) Peak 1107 from nnoeabs.peaks (8.33, 8.00, 118.02 ppm; 3.48 A): 4 out of 5 assignments used, quality = 0.87: * H GLY 64 + H LYS 63 OK 77 100 - 77 - 4.7=42, 289/3.0=22...(13) H LYS 35 + H LYS 63 OK 20 92 - 21 - 124=6, 5964/4.4=2...(8) H LYS 94 + H LYS 63 OK 18 73 - 24 - 5965/4.4=3, 4.0/285=2...(10) H ASP 32 + H LYS 63 OK 11 87 - 12 - 1154=3, 3.0/4437=2...(4) H LYS 45 - H LYS 63 lone 6 87 - 7 - 4261/3.9=1, 790/3.9=1 Peak 1108 from nnoeabs.peaks (7.15, 8.33, 108.30 ppm; 3.46 A): 2 out of 5 assignments used, quality = 0.58: * H GLU 65 + H GLY 64 OK 54 100 - 54 - 4.6=43, 6013/4.7=6...(5) HZ PHE 97 + H GLY 64 OK 10 99 - 10 - 5973/4.7=2, 5974/4.7=2...(4) QD TYR 54 - H GLY 64 poor 10 63 - 16 - 5973/4.7=4, 5974/4.7=4...(4) QE PHE 97 - H GLY 64 poor 9 81 - 11 - 5973/4.7=2, 5974/4.7=2...(5) HH2 TRP 82 - H GLY 64 lone 1 97 - 1 - Peak 1109 from nnoeabs.peaks (8.92, 7.15, 115.91 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + H GLU 65 OK 100 100 - 100 - 4.6=100 Peak 1110 from nnoeabs.peaks (8.43, 8.92, 123.68 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H THR 67 + H ALA 66 OK 100 100 - 100 - 4.6=100 Peak 1111 from nnoeabs.peaks (8.09, 8.43, 108.09 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 68 + H THR 67 OK 100 100 - 100 - 4.6=100 Peak 1112 from nnoeabs.peaks (7.68, 8.09, 119.93 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H SER 69 + H VAL 68 OK 100 100 - 100 - 4.6=100 Peak 1113 from nnoeabs.peaks (8.96, 7.68, 121.55 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + H SER 69 OK 100 100 - 100 - 4.6=100 Peak 1114 from nnoeabs.peaks (8.45, 8.96, 122.57 ppm; 4.42 A): 2 out of 11 assignments used, quality = 1.00: * H ASP 71 + H PHE 70 OK 97 100 - 97 - 4.6=89, 324/3.0=37...(10) H THR 15 + H PHE 70 OK 84 100 - 85 - 3.0/6218=39, 3.6/6219=28...(9) H THR 42 - H PHE 70 OK 29 81 - 36 - 4.6/6215=18, 4.6/6235=7...(7) H ASP 72 - H PHE 70 OK 21 65 - 32 - 6280/3.0=17, 6300/4.6=8...(4) H THR 67 - H PHE 70 OK 17 76 - 22 - 4.6/6167=8, 4.0/6235=4...(5) H LEU 21 - H PHE 70 OK 13 87 - 15 - 2.9/321=4, 4.0/6222=3...(4) H PHE 83 - H PHE 70 poor 10 63 - 15 - 6.4/6217=2, 4.3/6220=2...(7) H ALA 98 - H PHE 70 poor 8 73 - 11 - 6995/6216=4, 7012/6222=1 H GLY 60 - H PHE 70 lone 7 89 - 8 - 5928=3, 4.6/5938=1 H ILE 93 - H PHE 70 lone 4 99 - 4 - H GLY 90 - H PHE 70 lone 3 90 - 3 - Peak 1116 from nnoeabs.peaks (7.44, 8.06, 114.38 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.65: * H ALA 76 + H SER 75 OK 65 100 - 65 - 342=37, 4.6/3240=10...(10) H THR 46 - H SER 75 lone 5 81 - 6 - 5556/2.9=2, 4451/3.5=2 QD PHE 34 - H SER 75 lone 4 92 - 4 - Peak 1117 from nnoeabs.peaks (7.20, 7.44, 122.42 ppm; 3.18 A): 2 out of 4 assignments used, quality = 0.81: * H LYS 77 + H ALA 76 OK 73 100 - 73 - 346=43, 348/2.9=22...(10) HD22 ASN 14 + H ALA 76 OK 31 98 - 32 - 4.4/6373=8, 4308/2.9=7...(10) HD22 ASN 43 - H ALA 76 lone 6 100 - 6 - QD TYR 54 - H ALA 76 lone 4 71 - 5 - 1173/4.6=1 Peak 1118 from nnoeabs.peaks (7.87, 7.20, 116.16 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.81: * H ALA 78 + H LYS 77 OK 81 100 - 81 - 349=37, 4310/3.7=15...(18) Peak 1119 from nnoeabs.peaks (8.12, 7.87, 119.69 ppm; 3.04 A): 1 out of 4 assignments used, quality = 0.79: * H ALA 79 + H ALA 78 OK 79 100 - 79 - 359=48, 3.7/3343=19...(15) H ILE 39 - H ALA 78 poor 10 100 - 10 - 4319/2.9=2, 4468/3.6=2 H GLU 23 - H ALA 78 lone 6 99 - 6 - 64/3.6=1, 4319/2.9=1, 1179/4.6=1 H ASN 13 - H ALA 78 lone 1 63 - 2 - Peak 1120 from nnoeabs.peaks (7.57, 8.12, 120.33 ppm; 3.28 A): 3 out of 3 assignments used, quality = 0.90: * H ILE 80 + H ALA 79 OK 78 100 - 78 - 362=40, 364/2.9=18...(18) QD PHE 83 + H ALA 79 OK 47 93 - 51 - 4799/3.0=11, 4321/2.9=9...(19) HE21 GLN 48 + H ALA 79 OK 16 97 - 16 - 4321/2.9=3, 4320/3.0=2...(7) Peak 1121 from nnoeabs.peaks (7.96, 7.57, 119.63 ppm; 3.17 A): 3 out of 5 assignments used, quality = 0.85: * H ASP 81 + H ILE 80 OK 69 100 - 69 - 4.6=32, 4.5/956=12...(15) H ASP 84 + H ILE 80 OK 43 100 - 43 - 365=8, 388/3.0=5...(14) H VAL 30 + H ILE 80 OK 17 92 - 18 - 4324/4.0=3, 4327/4.6=2...(9) HE21 GLN 19 - H ILE 80 lone 7 99 - 7 - 4327/4.6=1 HD21 ASN 14 - H ILE 80 lone 2 65 - 4 - Peak 1122 from nnoeabs.peaks (8.49, 7.96, 117.78 ppm; 3.21 A): 5 out of 12 assignments used, quality = 0.92: * H TRP 82 + H ASP 81 OK 68 100 - 68 - 4.6=33, 375/4.0=13...(12) H PHE 83 + H ASP 81 OK 47 92 - 51 - 1124=16, 4.6/372=7...(13) H PHE 83 + H ASP 84 OK 30 50 - 61 - 4.7=33, 978/4.3=11...(11) H TRP 82 + H ASP 84 OK 24 59 - 40 - 372=13, 4.6/1124=6...(12) H ALA 98 + H ASP 81 OK 12 85 - 15 - 7017/4.4=2, 4487/3.6=2...(7) H ASP 72 - H ASP 81 poor 10 90 - 11 - 372=2, 1194/4.6=1, 4329/4.0=1 H LEU 21 - H ASP 81 poor 7 71 - 10 - 4.7/371=2, 4488/3.6=2...(4) H THR 42 - H ASP 81 lone 4 78 - 5 - H ASP 72 - H ASP 84 lone 3 48 - 6 - 372=1 H ALA 98 - H ASP 84 lone 3 44 - 7 - 6641/4.6=1, 458/4.0=1 H LEU 21 - H ASP 84 lone 2 35 - 6 - 6641/4.6=1 H THR 42 - H ASP 84 lone 1 40 - 3 - Peak 1124 from nnoeabs.peaks (7.95, 8.48, 111.91 ppm; 3.17 A): 3 out of 5 assignments used, quality = 0.82: * H ASP 84 + H PHE 83 OK 62 100 - 62 - 4.7=32, 4.3/978=11...(12) H ASP 81 + H PHE 83 OK 48 100 - 48 - 1122=10, 372/4.6=7...(15) H VAL 30 + H PHE 83 OK 11 83 - 14 - 4500/3.6=2, 6558/4.3=1...(7) HD21 ASN 14 - H PHE 83 lone 8 78 - 10 - 3.5/978=3, 3.5/378=2, 5.7/7167=2 HE21 GLN 19 - H PHE 83 lone 7 100 - 7 - 4500/3.6=2, 6558/4.3=1 Peak 1125 from nnoeabs.peaks (8.62, 7.95, 118.26 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.94: * H GLY 85 + H ASP 84 OK 93 100 - 93 - 4.6=72, 4345/2.9=38...(12) H GLY 85 + H ASP 81 OK 17 59 - 29 - 394=9, 4.5/3538=7...(7) H GLY 47 - H ASP 84 lone 6 78 - 7 - 4345/2.9=2, 6925/6618=1 H GLY 47 - H ASP 81 lone 1 40 - 3 - Peak 1126 from nnoeabs.peaks (8.01, 8.62, 115.40 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.66: * H LYS 86 + H GLY 85 OK 66 100 - 66 - 398=48, 6622/3.6=13...(9) H GLY 22 - H GLY 85 lone 9 93 - 10 - 4835/3.0=2, 6622/3.6=2...(5) H LYS 63 - H GLY 85 lone 5 93 - 5 - 6622/3.6=2 H PHE 34 - H GLY 85 lone 3 73 - 4 - 6622/3.6=1, 1162/3.0=1 Peak 1127 from nnoeabs.peaks (8.19, 8.01, 120.17 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.96: * H GLU 87 + H LYS 86 OK 94 100 - 94 - 4.6=69, 4350/3.0=31...(11) H GLY 20 + H LYS 86 OK 37 83 - 45 - 4350/3.0=7, 4351/4.0=6...(13) Peak 1128 from nnoeabs.peaks (9.16, 8.19, 115.59 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + H GLU 87 OK 100 100 - 100 - 4.6=97, 412/3.0=42...(10) Peak 1129 from nnoeabs.peaks (7.76, 8.43, 103.32 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 91 + H GLY 90 OK 100 100 - 100 - 4.6=100 Peak 1130 from nnoeabs.peaks (8.35, 8.46, 117.14 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H ILE 93 OK 100 100 - 100 - 4.7=100 Peak 1131 from nnoeabs.peaks (9.37, 8.35, 122.18 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + H LYS 94 OK 100 100 - 100 - 4.5=98, 4382/3.0=45...(15) Peak 1132 from nnoeabs.peaks (8.93, 9.37, 125.38 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H SER 96 + H VAL 95 OK 100 100 - 100 - 4.6=100 Peak 1134 from nnoeabs.peaks (8.47, 8.89, 119.91 ppm; 4.46 A): 1 out of 9 assignments used, quality = 0.98: * H ALA 98 + H PHE 97 OK 98 100 - 98 - 4.6=89, 457/2.9=40...(9) H THR 42 - H PHE 97 OK 41 100 - 41 - 5506=13, 4.0/5509=9...(9) H LEU 21 - H PHE 97 OK 38 99 - 38 - 4796/2.9=11, 4.7/6968=9...(8) H THR 15 - H PHE 97 OK 15 85 - 18 - 4540/4.5=5, 5506=3...(6) H PHE 83 - H PHE 97 OK 14 100 - 14 - 6608/6965=3, 4399/4.0=2...(5) H ILE 93 - H PHE 97 OK 11 87 - 12 - 7206/3.6=2, 4400/4.0=2...(5) H TRP 82 - H PHE 97 lone 8 85 - 10 - 4399/4.0=2, 6544/6968=2...(5) H ASP 72 - H PHE 97 lone 7 100 - 7 - H ASP 71 - H PHE 97 lone 5 73 - 6 - 6241/5483=1 Peak 1135 from nnoeabs.peaks (7.81, 8.47, 124.60 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.95: * H THR 99 + H ALA 98 OK 95 100 - 95 - 4.6=80, 465/3.0=41...(8) H ILE 37 - H ALA 98 OK 37 100 - 37 - 4405/2.9=7, 4.6/463=5...(9) Peak 1136 from nnoeabs.peaks (8.23, 9.07, 122.12 ppm; 5.38 A): 1 out of 3 assignments used, quality = 0.94: * H SER 29 + H ILE 27 OK 94 100 - 94 - 1139=50, 4.6/87=39...(9) H GLY 20 - H ILE 27 OK 20 90 - 22 - 4406/3.0=8, 1080/4.7=4...(5) H ASP 12 - H ILE 27 OK 18 100 - 18 - 4406/3.0=5, 1080/4.7=4...(5) Peak 1137 from nnoeabs.peaks (7.97, 8.80, 118.07 ppm; 4.30 A): 3 out of 7 assignments used, quality = 0.80: * H VAL 30 + H GLU 28 OK 73 100 - 73 - 1142=34, 1143/3.6=25...(7) H PHE 34 + H GLU 28 OK 18 92 - 19 - 4407/3.6=5, 4411/2.9=4...(6) H GLY 22 + H GLU 28 OK 11 71 - 16 - 4846/4.6=3, 4932/4.3=2...(7) H ASP 81 - H GLU 28 lone 8 92 - 8 - 4407/3.6=2, 4411/2.9=2 HE21 GLN 19 - H GLU 28 lone 6 78 - 8 - 1081/4.6=2, 3.5/689=1...(5) H LYS 63 - H GLU 28 lone 6 71 - 8 - 4411/2.9=1, 4932/4.3=1...(4) H ASP 84 - H GLU 28 lone 5 83 - 6 - 4407/3.6=2, 4411/2.9=1 Peak 1138 from nnoeabs.peaks (3.51, 8.23, 115.72 ppm; 4.72 A): 1 out of 3 assignments used, quality = 0.87: * HA ILE 27 + H SER 29 OK 87 100 - 88 - 3.0/1139=33, 3.6/1080=31...(17) HB2 ASN 14 - H SER 29 poor 8 77 - 10 - 1143/4.6=3, 4536/2.9=1 HB3 PHE 83 - H SER 29 lone 6 56 - 10 - 1143/4.6=3, 4.3/1081=1...(4) Peak 1139 from nnoeabs.peaks (9.07, 8.23, 115.72 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.86: * H ILE 27 + H SER 29 OK 86 100 - 86 - 87/4.6=32, 3.0/1138=28...(9) Peak 1140 from nnoeabs.peaks (8.70, 8.23, 115.72 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.89: * H ALA 31 + H SER 29 OK 80 100 - 81 - 1146=33, 4412/3.6=21...(14) H ILE 40 + H SER 29 OK 26 99 - 26 - 1082/4.6=6, 4416/2.9=4...(7) H GLN 19 + H SER 29 OK 23 82 - 28 - 1071=5, 1082/4.6=3...(11) H LYS 41 - H SER 29 poor 9 65 - 14 - 3.0/695=3, 4.0/5021=2...(5) Peak 1141 from nnoeabs.peaks (3.98, 7.97, 124.77 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.83: * HA GLU 28 + H VAL 30 OK 59 100 - 60 - 3.6/100=21, 2.9/1142=17...(12) HB2 SER 29 + H VAL 30 OK 53 68 - 78 - 4.6=57, 1.8/103=22...(9) HA LYS 44 + H VAL 30 OK 12 97 - 12 - 3.6/1144=3, 1147/4.6=2...(4) HB3 SER 96 - H VAL 30 lone 8 92 - 9 - 1147/4.6=2, 6951/3.9=2 HB3 SER 89 - H VAL 30 lone 5 90 - 5 - Peak 1142 from nnoeabs.peaks (8.80, 7.97, 124.77 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.79: * H GLU 28 + H VAL 30 OK 70 100 - 71 - 1137=29, 3.6/1143=25...(7) H ASN 43 + H VAL 30 OK 16 99 - 16 - 186/3.0=4, 94/4.6=4...(4) H ILE 16 + H VAL 30 OK 16 95 - 17 - 94/4.6=3, 620/3.9=2...(7) Peak 1143 from nnoeabs.peaks (3.51, 7.97, 124.77 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.82: * HA ILE 27 + H VAL 30 OK 79 100 - 80 - 4407=23, 5046/3.9=16...(18) HB2 ASN 14 + H VAL 30 OK 11 78 - 13 - 5046/3.9=2, 4409/4.0=2...(5) HB3 PHE 83 - H VAL 30 poor 10 57 - 17 - 5047/3.9=3, ~4424=3...(7) Peak 1144 from nnoeabs.peaks (8.31, 7.97, 124.77 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.86: * H ASP 32 + H VAL 30 OK 79 100 - 79 - 1083/4.6=20, 1151=20...(14) H GLY 64 + H VAL 30 OK 19 87 - 22 - 4423/3.0=5, 1083/4.6=3...(6) H LYS 45 + H VAL 30 OK 17 100 - 17 - 4423/3.0=4, 1083/4.6=4...(5) Peak 1145 from nnoeabs.peaks (4.38, 8.70, 123.11 ppm; 5.00 A): 5 out of 10 assignments used, quality = 0.92: * HA SER 29 + H ALA 31 OK 77 100 - 77 - 3.6/1082=28, 2.9/1146=27...(13) HA THR 42 + H ALA 31 OK 47 100 - 47 - 4417/4.6=10, 4416=9...(15) HA ASP 71 + H ALA 31 OK 17 63 - 28 - 3.0/6241=4, 3.0/6244=4...(11) HA PRO 73 + H ALA 31 OK 13 96 - 13 - 1152/4.6=3, 4419/5137=2...(4) HA LEU 62 + H ALA 31 OK 11 81 - 13 - 2849/4.2=2, 3.6/104=2...(5) HA TRP 82 - H ALA 31 lone 6 78 - 8 - 4500/4.6=3, 2873/4.2=1 HB THR 46 - H ALA 31 lone 6 99 - 6 - 1152/4.6=1 HA ALA 98 - H ALA 31 lone 5 95 - 6 - ~7015=2 HA PRO 74 - H ALA 31 lone 5 85 - 6 - 3.8/5084=1 HA SER 11 - H ALA 31 lone 4 68 - 6 - 3.6/1146=4 Peak 1146 from nnoeabs.peaks (8.23, 8.70, 123.11 ppm; 4.30 A): 3 out of 3 assignments used, quality = 0.87: * H SER 29 + H ALA 31 OK 80 100 - 80 - 1140=29, 3.6/4412=21...(14) H GLY 20 + H ALA 31 OK 25 90 - 28 - 100/4.6=6, 5072/4.4=6...(7) H ASP 12 + H ALA 31 OK 13 100 - 12 - 4.0/5138=2, 100/4.6=2...(5) Peak 1147 from nnoeabs.peaks (3.98, 8.70, 123.11 ppm; 3.60 A): 3 out of 5 assignments used, quality = 0.82: * HA GLU 28 + H ALA 31 OK 70 100 - 70 - 4412=25, 4414/2.9=19...(17) HB2 SER 29 + H ALA 31 OK 27 68 - 41 - 4.6/1082=12, 4.0/1146=12...(9) HA LYS 44 + H ALA 31 OK 15 97 - 16 - 4414/2.9=4, 3.6/1083=4...(6) HB3 SER 96 - H ALA 31 poor 10 92 - 11 - 4414/2.9=2, 6951/4.2=1...(4) HB3 SER 89 - H ALA 31 lone 3 90 - 3 - Peak 1148 from nnoeabs.peaks (3.51, 8.70, 123.11 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.88: * HA ILE 27 + H ALA 31 OK 85 100 - 85 - 5081/2.9=22, 4410=22...(18) HB2 ASN 14 + H ALA 31 OK 12 78 - 15 - 5046/4.2=3, 4409/4.4=2...(4) HB3 PHE 83 + H ALA 31 OK 11 57 - 20 - 2.4/1149=4, 5047/4.2=4...(7) Peak 1149 from nnoeabs.peaks (7.53, 8.70, 123.11 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.92: * H TYR 33 + H ALA 31 OK 87 100 - 87 - 1156=28, 5078/2.9=23...(14) H GLN 36 + H ALA 31 OK 26 73 - 35 - 5078/2.9=8, 4430/3.0=7...(10) QD PHE 83 + H ALA 31 OK 19 63 - 30 - 4424/3.6=7, 5071/4.2=5...(10) Peak 1150 from nnoeabs.peaks (3.75, 8.31, 115.33 ppm; 4.82 A): 3 out of 6 assignments used, quality = 0.95: * HA VAL 30 + H ASP 32 OK 91 100 - 91 - 3.6/1083=31, 4423=29...(21) HB THR 42 + H ASP 32 OK 31 92 - 34 - 3.0/4417=13, ~5492=5...(7) HA2 GLY 64 + H ASP 32 OK 16 100 - 16 - 1157/4.6=5, 3.6/298=2...(5) HA2 GLY 20 - H ASP 32 lone 6 97 - 6 - 1157/4.6=2, 1163/1154=1 HA2 GLY 22 - H ASP 32 lone 4 60 - 7 - 3.0/1154=3 HA2 GLY 60 - H ASP 32 lone 3 83 - 3 - Peak 1151 from nnoeabs.peaks (7.97, 8.31, 115.33 ppm; 3.93 A): 4 out of 7 assignments used, quality = 0.93: * H VAL 30 + H ASP 32 OK 75 100 - 75 - 1144=26, 4.6/1083=17...(14) H PHE 34 + H ASP 32 OK 61 92 - 67 - 1160/3.0=21, 4.6/1084=17...(12) H ASP 81 + H ASP 32 OK 17 92 - 18 - 5077/3.5=3, 4.5/5115=3...(7) H LYS 63 + H ASP 32 OK 10 71 - 14 - 1107=2, 4437/3.0=2...(5) H ASP 84 - H ASP 32 poor 9 83 - 11 - 5077/3.5=2, 4.6/1084=2...(4) H GLY 22 - H ASP 32 lone 7 71 - 9 - 4431/3.6=2, 4437/3.0=1 HE21 GLN 19 - H ASP 32 lone 4 78 - 5 - Peak 1152 from nnoeabs.peaks (4.38, 8.31, 115.33 ppm; 3.52 A): 3 out of 10 assignments used, quality = 0.74: * HA SER 29 + H ASP 32 OK 52 100 - 52 - 4417=16, 3.6/1144=12...(10) HA THR 42 + H ASP 32 OK 38 100 - 39 - 4417=11, 4418/3.9=8...(11) HA PRO 73 + H ASP 32 OK 13 96 - 14 - 4419/3.9=4, 4421/3.9=3...(5) HA LEU 62 - H ASP 32 lone 5 81 - 7 - 3.6/1154=2 HB THR 46 - H ASP 32 lone 5 99 - 5 - 4.1/197=2 HA ASP 71 - H ASP 32 lone 4 63 - 6 - 6242/4.6=1 HA ALA 98 - H ASP 32 lone 3 95 - 3 - HA TRP 82 - H ASP 32 lone 3 78 - 4 - HA PRO 74 - H ASP 32 lone 3 85 - 3 - HA SER 11 - H ASP 32 lone 1 68 - 1 - Peak 1153 from nnoeabs.peaks (3.98, 8.31, 115.33 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.75: * HA GLU 28 + H ASP 32 OK 62 100 - 62 - 4415=21, 4414/3.5=20...(12) HB2 SER 29 + H ASP 32 OK 24 68 - 35 - 3.0/4417=14, 4.6/1144=13...(5) HA LYS 44 + H ASP 32 OK 13 97 - 13 - 4414/3.5=4, 1147/4.6=3 HB3 SER 96 - H ASP 32 lone 7 92 - 7 - 4414/3.5=2, 1147/4.6=2 HB3 SER 89 - H ASP 32 lone 3 90 - 3 - Peak 1154 from nnoeabs.peaks (7.99, 8.31, 115.33 ppm; 3.93 A): 4 out of 5 assignments used, quality = 0.93: * H PHE 34 + H ASP 32 OK 69 100 - 69 - 1160/3.0=23, 4.6/1084=17...(13) H VAL 30 + H ASP 32 OK 68 92 - 74 - 1144=23, 4.6/1083=17...(14) H LYS 63 + H ASP 32 OK 16 97 - 16 - 1107=3, 4437/3.0=2...(5) H GLY 22 + H ASP 32 OK 10 97 - 10 - 4431/3.6=2, 4437/3.0=1...(4) H LYS 86 - H ASP 32 lone 3 73 - 4 - Peak 1156 from nnoeabs.peaks (8.70, 7.53, 119.11 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.94: * H ALA 31 + H TYR 33 OK 90 100 - 90 - 1149=33, 2.9/5078=25...(14) H ILE 40 + H TYR 33 OK 32 99 - 33 - 4.7/5401=10, 109/4.6=7...(7) H GLN 19 + H TYR 33 OK 11 83 - 14 - 5180/4.6=4, 109/4.6=2...(4) H LYS 41 - H TYR 33 poor 7 65 - 11 - 4.0/5163=2, 109/4.6=2...(4) Peak 1157 from nnoeabs.peaks (3.75, 7.53, 119.11 ppm; 4.06 A): 4 out of 6 assignments used, quality = 0.93: * HA VAL 30 + H TYR 33 OK 86 100 - 86 - 4424=31, 4427/4.0=22...(15) HA2 GLY 64 + H TYR 33 OK 28 100 - 28 - 3.0/112=6, 4428/4.0=5...(7) HB THR 42 + H TYR 33 OK 21 92 - 23 - 3.0/4422=9, 1150/4.6=4...(7) HA2 GLY 20 + H TYR 33 OK 11 97 - 11 - 1163/4.6=3, 4428/4.0=2 HA2 GLY 22 - H TYR 33 lone 4 60 - 7 - 3.0/1085=2 HA2 GLY 60 - H TYR 33 lone 3 83 - 3 - Peak 1158 from nnoeabs.peaks (4.38, 7.53, 119.11 ppm; 4.64 A): 4 out of 10 assignments used, quality = 0.83: * HA SER 29 + H TYR 33 OK 58 100 - 58 - 4422=23, 4418/4.5=14...(7) HA THR 42 + H TYR 33 OK 48 100 - 48 - 4422=18, 4418/4.5=11...(9) HA PRO 73 + H TYR 33 OK 13 96 - 14 - 4419/4.5=5, 4421/4.5=4 HA TRP 82 + H TYR 33 OK 10 78 - 13 - 3.0/710=4, 4.5/4721=2...(5) HA LEU 62 - H TYR 33 poor 9 81 - 11 - 3.6/1085=3, 4254/4.6=2...(4) HA ALA 98 - H TYR 33 lone 5 95 - 5 - HB THR 46 - H TYR 33 lone 4 99 - 4 - 1152/4.6=1 HA ASP 71 - H TYR 33 lone 3 63 - 5 - HA PRO 74 - H TYR 33 lone 3 85 - 3 - HA SER 11 - H TYR 33 lone 1 68 - 2 - Peak 1160 from nnoeabs.peaks (4.30, 7.99, 112.45 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.63: * HA ASP 32 + H PHE 34 OK 55 100 - 55 - 4437=19, 3.6/116=15...(11) HA ASP 81 + H PHE 34 OK 17 97 - 18 - 4437=6, 1167/4.6=5...(5) HB THR 59 - H PHE 34 lone 4 81 - 5 - 1167/4.6=2 HD2 PRO 73 - H PHE 34 lone 3 63 - 5 - 1.8/1162=3 Peak 1162 from nnoeabs.peaks (3.89, 7.99, 112.45 ppm; 4.05 A): 3 out of 5 assignments used, quality = 0.83: * HA ALA 31 + H PHE 34 OK 76 100 - 76 - 4431=19, 3.0/5180=14...(13) HB3 SER 75 + H PHE 34 OK 19 99 - 19 - 4435/4.1=4, 4433/4.1=3...(7) HD3 PRO 73 + H PHE 34 OK 11 97 - 10 - 1.8/1160=2, 1168/4.6=2...(4) HA2 GLY 85 - H PHE 34 lone 8 98 - 8 - 1168/4.6=2, 4435/4.1=2 HA2 GLY 38 - H PHE 34 lone 4 57 - 7 - 1168/4.6=2, 5426/5193=1 Peak 1163 from nnoeabs.peaks (3.75, 7.99, 112.45 ppm; 4.32 A): 4 out of 6 assignments used, quality = 0.94: * HA VAL 30 + H PHE 34 OK 82 100 - 82 - 4427/4.3=23, 5056/4.6=20...(17) HA2 GLY 64 + H PHE 34 OK 44 100 - 44 - 5979=10, 3.0/1086=8...(13) HA2 GLY 20 + H PHE 34 OK 29 97 - 29 - 1.8/4769=8, 2.9/4767=5...(10) HB THR 42 + H PHE 34 OK 13 92 - 14 - 1157/4.6=3, 4426/4.3=2...(6) HA2 GLY 60 - H PHE 34 lone 5 83 - 6 - HA2 GLY 22 - H PHE 34 lone 5 60 - 8 - 3.6/63=2 Peak 1165 from nnoeabs.peaks (4.20, 8.35, 118.82 ppm; 5.17 A): 3 out of 5 assignments used, quality = 0.86: * HA TYR 33 + H LYS 35 OK 71 100 - 71 - 4444=27, 3.6/1086=27...(7) HA ILE 37 + H LYS 35 OK 44 71 - 62 - 3.0/5242=30, ~5293=20...(6) HB THR 99 + H LYS 35 OK 16 100 - 15 - 3.9/5242=7, 1171/4.6=6 HA3 GLY 47 - H LYS 35 lone 6 71 - 8 - 5573/4.3=3, 3.0/5548=3 HA3 GLY 60 - H LYS 35 lone 2 71 - 3 - Peak 1167 from nnoeabs.peaks (4.30, 8.35, 118.82 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.80: * HA ASP 32 + H LYS 35 OK 62 100 - 62 - 4438=20, 1160/4.6=12...(14) HA ASP 81 + H LYS 35 OK 39 97 - 40 - 4438=12, 4440/3.8=6...(9) HB THR 59 + H LYS 35 OK 14 81 - 17 - 4440/3.8=3, 4442/3.8=3...(6) HD2 PRO 73 - H LYS 35 lone 4 63 - 6 - 1.8/1168=2, 3.0/727=1 Peak 1168 from nnoeabs.peaks (3.89, 8.35, 118.82 ppm; 4.59 A): 5 out of 5 assignments used, quality = 0.83: * HA ALA 31 + H LYS 35 OK 70 100 - 70 - 4436=28, 1162/4.6=17...(10) HB3 SER 75 + H LYS 35 OK 19 99 - 19 - 4435/4.2=5, 4433/4.2=4...(5) HA2 GLY 38 + H LYS 35 OK 13 57 - 23 - ~5335=13, 5333/5242=3 HD3 PRO 73 + H LYS 35 OK 12 97 - 12 - 1162/4.6=2, 3.0/727=2...(5) HA2 GLY 85 + H LYS 35 OK 11 98 - 11 - 3.6/124=2, 4435/4.2=2...(5) Peak 1170 from nnoeabs.peaks (7.99, 7.50, 116.16 ppm; 4.96 A): 5 out of 5 assignments used, quality = 0.90: * H PHE 34 + H GLN 36 OK 78 100 - 78 - 4.6/1087=24, 5183/3.6=24...(15) H VAL 30 + H GLN 36 OK 28 92 - 31 - 124/4.6=5, 3.9/5245=5...(8) H GLY 22 + H GLN 36 OK 16 97 - 17 - 4847/4.6=5, 5243/4.6=3 H LYS 63 + H GLN 36 OK 16 97 - 16 - 124/4.6=5, 4.7/132=4, 5243/4.6=3 H LYS 86 + H GLN 36 OK 12 73 - 16 - 4.0/134=3, 4.0/739=3...(5) Peak 1171 from nnoeabs.peaks (4.20, 7.50, 116.16 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.84: * HA TYR 33 + H GLN 36 OK 54 100 - 54 - 5166/5.0=15, 3.6/1170=12...(10) HA ILE 37 + H GLN 36 OK 52 71 - 73 - 3.0/142=36, 3.6/5256=20...(12) HB THR 99 + H GLN 36 OK 25 100 - 25 - 3.9/1088=6, 4025/2.9=4...(9) HA3 GLY 47 - H GLN 36 lone 2 71 - 3 - HA3 GLY 60 - H GLN 36 lone 1 71 - 2 - Peak 1173 from nnoeabs.peaks (7.20, 8.06, 114.38 ppm; 4.47 A): 4 out of 4 assignments used, quality = 0.92: * H LYS 77 + H SER 75 OK 85 100 - 85 - 1177=36, 4.6/1116=27...(11) HD22 ASN 14 + H SER 75 OK 31 98 - 32 - 1117/4.6=8, 4452/3.5=7...(7) QD TYR 54 + H SER 75 OK 13 71 - 19 - 2.5/6356=6, 4704/3.9=3...(4) HD22 ASN 43 + H SER 75 OK 10 100 - 10 - 4452/3.5=3, 4458/2.9=2 Peak 1174 from nnoeabs.peaks (4.40, 7.44, 122.42 ppm; 3.80 A): 3 out of 8 assignments used, quality = 0.89: * HA PRO 74 + H ALA 76 OK 70 100 - 70 - 3.5/1116=27, 4451=21...(11) HA PRO 73 + H ALA 76 OK 58 99 - 59 - 6305/2.9=19, 4.5/4451=12...(11) HA ASP 71 + H ALA 76 OK 12 98 - 12 - 6377/2.9=3, ~6401=2, 1178/4.6=1 HB THR 46 - H ALA 76 lone 7 97 - 7 - 2.1/2345=2, 1178/4.6=1...(4) HA THR 42 - H ALA 76 lone 3 76 - 4 - HA MET 50 - H ALA 76 lone 3 78 - 4 - HA SER 29 - H ALA 76 lone 3 85 - 3 - HA THR 59 - H ALA 76 lone 3 63 - 4 - 3.0/342=2 Peak 1175 from nnoeabs.peaks (7.87, 7.44, 122.42 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.93: * H ALA 78 + H ALA 76 OK 93 100 - 93 - 1181=38, 4459/3.6=28...(17) Peak 1176 from nnoeabs.peaks (4.02, 7.20, 116.16 ppm; 5.26 A): 4 out of 5 assignments used, quality = 0.90: * HA SER 75 + H LYS 77 OK 84 100 - 85 - 3.6/346=39, 4459/4.6=33...(7) HA LYS 44 + H LYS 77 OK 14 65 - 21 - 3.0/945=4, 3.0/945=4...(9) HB2 SER 29 + H LYS 77 OK 12 96 - 13 - 1182/4.6=3, 5028/3.7=3...(5) HA ARG 57 + H LYS 77 OK 11 100 - 11 - 1182/4.6=3, 1188/1179=2 HB3 SER 89 - H LYS 77 lone 4 78 - 5 - 1182/4.6=1 Peak 1177 from nnoeabs.peaks (8.06, 7.20, 116.16 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.87: * H SER 75 + H LYS 77 OK 85 100 - 85 - 1173=30, 1116/4.6=29...(11) H THR 59 + H LYS 77 OK 13 100 - 13 - 5909/3.0=4, 342/4.6=2...(6) H VAL 68 - H LYS 77 lone 5 68 - 7 - 342/4.6=2, 6398/3.6=2 Peak 1178 from nnoeabs.peaks (4.40, 7.20, 116.16 ppm; 3.79 A): 4 out of 8 assignments used, quality = 0.90: * HA PRO 74 + H LYS 77 OK 75 100 - 75 - 4452=30, 4457/4.6=17...(11) HA PRO 73 + H LYS 77 OK 49 99 - 49 - 6305/3.6=16, 4.5/4452=12...(10) HA ASP 71 + H LYS 77 OK 11 98 - 11 - 6377/3.6=3, 4456/3.7=1...(6) HB THR 46 + H LYS 77 OK 11 97 - 10 - 2.1/5570=3, 4.1/5545=3 HA SER 29 - H LYS 77 lone 6 85 - 7 - 3.0/1176=2, 4454/3.7=1 HA THR 59 - H LYS 77 lone 4 63 - 6 - 3.0/1177=3, ~5909=1 HA MET 50 - H LYS 77 lone 2 78 - 3 - HA THR 42 - H LYS 77 lone 2 76 - 3 - Peak 1179 from nnoeabs.peaks (8.12, 7.20, 116.16 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.89: * H ALA 79 + H LYS 77 OK 84 100 - 84 - 1186=30, 4.6/1118=28...(10) H ILE 39 + H LYS 77 OK 22 100 - 22 - 4468/3.0=6, 4464/3.6=4...(6) H GLU 23 + H LYS 77 OK 12 99 - 12 - 4468/3.0=4, 4464/3.6=2...(5) H ASN 13 - H LYS 77 lone 4 63 - 6 - 6398/3.6=3 Peak 1180 from nnoeabs.peaks (3.60, 7.87, 119.69 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.95: * HA ALA 76 + H ALA 78 OK 94 100 - 94 - 3.6/1118=42, 4463=39...(11) HA2 GLY 90 + H ALA 78 OK 12 100 - 11 - 1187/4.6=4, 1193/1191=2 Peak 1181 from nnoeabs.peaks (7.44, 7.87, 119.69 ppm; 4.16 A): 3 out of 3 assignments used, quality = 0.95: * H ALA 76 + H ALA 78 OK 93 100 - 93 - 1175=47, 3.6/4459=27...(17) QD PHE 34 + H ALA 78 OK 15 92 - 16 - 6463/6462=5, 6430/2.9=5...(4) H THR 46 + H ALA 78 OK 14 81 - 16 - 6430/2.9=4, 5545/4.6=3...(7) Peak 1182 from nnoeabs.peaks (4.02, 7.87, 119.69 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.85: * HA SER 75 + H ALA 78 OK 81 100 - 81 - 4459=40, 4461/2.9=24...(10) HA LYS 44 + H ALA 78 OK 11 65 - 16 - 4461/2.9=3, 3.7/4312=3...(8) HA ARG 57 + H ALA 78 OK 11 100 - 10 - 4461/2.9=3, 1188/4.6=3 HB2 SER 29 - H ALA 78 lone 9 96 - 9 - 4461/2.9=2, 1188/4.6=1...(5) HB3 SER 89 - H ALA 78 lone 3 78 - 4 - Peak 1183 from nnoeabs.peaks (4.40, 7.87, 119.69 ppm; 4.17 A): 3 out of 8 assignments used, quality = 0.90: * HA PRO 74 + H ALA 78 OK 79 100 - 79 - 4457=46, 3.5/6347=22...(12) HA PRO 73 + H ALA 78 OK 49 99 - 50 - 4.5/4457=21, 4.6/352=7...(8) HA ASP 71 + H ALA 78 OK 10 98 - 11 - 6262/2.9=2, 1178/4.6=2...(5) HB THR 46 - H ALA 78 lone 8 97 - 8 - 4.1/1181=3, 1178/4.6=2 HA SER 29 - H ALA 78 lone 7 85 - 8 - 3.0/1182=3, 4454/4.7=1 HA THR 42 - H ALA 78 lone 6 76 - 8 - ~178=2, ~6433=1 HA MET 50 - H ALA 78 lone 3 78 - 4 - HA THR 59 - H ALA 78 lone 2 63 - 3 - Peak 1184 from nnoeabs.peaks (7.57, 7.87, 119.69 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.94: * H ILE 80 + H ALA 78 OK 89 100 - 89 - 1191=50, 4.6/359=30...(11) QD PHE 83 + H ALA 78 OK 43 93 - 47 - 6429/2.9=10, 1120/4.6=9...(11) HE21 GLN 48 - H ALA 78 OK 21 97 - 21 - 6429/2.9=4, 4473/3.0=4...(7) Peak 1185 from nnoeabs.peaks (3.79, 8.12, 120.33 ppm; 4.62 A): 4 out of 7 assignments used, quality = 0.90: * HA LYS 77 + H ALA 79 OK 81 100 - 81 - 3.6/359=40, 3.0/1179=25...(13) HA2 GLY 22 + H ALA 79 OK 22 90 - 24 - 3.0/1074=6, 4076=5...(6) HA ILE 40 + H ALA 79 OK 22 100 - 22 - 3.0/160=4, 1192/4.6=4...(7) HA SER 89 + H ALA 79 OK 11 98 - 10 - 4.7/1187=3, 1192/4.6=2...(4) HD2 PRO 92 - H ALA 79 lone 4 100 - 4 - 1192/4.6=1 HB3 SER 11 - H ALA 79 lone 2 100 - 2 - HA2 GLY 60 - H ALA 79 lone 2 71 - 2 - Peak 1186 from nnoeabs.peaks (7.20, 8.12, 120.33 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.91: * H LYS 77 + H ALA 79 OK 87 100 - 87 - 1179=35, 1118/4.6=30...(10) HD22 ASN 14 + H ALA 79 OK 18 98 - 18 - 349/4.6=4, 1117/6468=3...(7) QD TYR 54 + H ALA 79 OK 12 71 - 16 - ~6465=5, 6431/3.7=3...(4) HD22 ASN 43 - H ALA 79 lone 9 100 - 8 - 6431/3.7=2, 349/4.6=2 Peak 1187 from nnoeabs.peaks (3.60, 8.12, 120.33 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.81: * HA ALA 76 + H ALA 79 OK 79 100 - 79 - 4466/2.9=29, 4464=26...(11) HA2 GLY 90 + H ALA 79 OK 11 100 - 10 - 4466/2.9=4, 1193/4.6=3...(4) Peak 1188 from nnoeabs.peaks (4.02, 8.12, 120.33 ppm; 4.56 A): 3 out of 5 assignments used, quality = 0.86: * HA SER 75 + H ALA 79 OK 80 100 - 80 - 4462=39, 3.6/6468=28...(7) HA ARG 57 + H ALA 79 OK 20 100 - 20 - 5889/3.0=6, 4461/3.7=4...(8) HB2 SER 29 + H ALA 79 OK 11 96 - 12 - 4.6/7133=4, 4461/3.7=2 HA LYS 44 - H ALA 79 poor 7 65 - 11 - 4461/3.7=4, 1182/4.6=3 HB3 SER 89 - H ALA 79 lone 6 78 - 7 - 3.0/1185=2 Peak 1190 from nnoeabs.peaks (4.16, 7.57, 119.63 ppm; 4.99 A): 2 out of 8 assignments used, quality = 0.90: * HA ALA 78 + H ILE 80 OK 89 100 - 89 - 3.0/1191=38, 3.6/362=35...(16) HA3 GLY 90 + H ILE 80 OK 15 100 - 14 - 1.8/1193=8, 4.7/1192=3 HA VAL 25 - H ILE 80 lone 7 99 - 7 - 1197/4.6=2 HA THR 99 - H ILE 80 lone 5 87 - 6 - 1197/4.6=1 HA GLN 36 - H ILE 80 lone 4 63 - 7 - 5248/4.0=1, 1197/4.6=1 HA3 GLY 60 - H ILE 80 lone 3 81 - 4 - HA3 GLY 47 - H ILE 80 lone 2 81 - 3 - HB THR 15 - H ILE 80 lone 2 68 - 3 - Peak 1191 from nnoeabs.peaks (7.87, 7.57, 119.63 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.84: * H ALA 78 + H ILE 80 OK 84 100 - 84 - 359/4.6=29, 1184=28...(11) Peak 1192 from nnoeabs.peaks (3.79, 7.57, 119.63 ppm; 3.75 A): 3 out of 7 assignments used, quality = 0.81: * HA LYS 77 + H ILE 80 OK 74 100 - 74 - 4469=22, 3.6/1191=20...(14) HA ILE 40 + H ILE 80 OK 18 100 - 18 - 4471/4.0=3, 6520/4.8=2...(8) HA2 GLY 22 + H ILE 80 OK 11 90 - 13 - 4471/4.0=2, 1185/4.6=2...(6) HA SER 89 - H ILE 80 lone 9 98 - 9 - 4.7/1193=3, 4.7/1190=2...(4) HD2 PRO 92 - H ILE 80 lone 5 100 - 5 - 4471/4.0=1, 6528/4.6=1 HB3 SER 11 - H ILE 80 lone 3 100 - 2 - HA2 GLY 60 - H ILE 80 lone 2 71 - 2 - Peak 1193 from nnoeabs.peaks (3.60, 7.57, 119.63 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.81: * HA ALA 76 + H ILE 80 OK 76 100 - 77 - 4466/3.7=35, 1187/4.6=26...(9) HA2 GLY 90 + H ILE 80 OK 18 100 - 17 - 1.8/1190=4, 4466/3.7=4...(5) Peak 1194 from nnoeabs.peaks (8.49, 7.57, 119.63 ppm; 4.40 A): 2 out of 6 assignments used, quality = 0.94: * H TRP 82 + H ILE 80 OK 81 100 - 81 - 1201=23, 4.6/1121=14...(19) H PHE 83 + H ILE 80 OK 70 92 - 76 - 982=14, 1208/3.6=12...(21) H ALA 98 - H ILE 80 OK 30 85 - 35 - 7018/4.6=10, 7017/4.0=5...(10) H LEU 21 - H ILE 80 OK 26 71 - 37 - 4.7/6497=9, 4.7/960=8...(9) H ASP 72 - H ILE 80 OK 23 90 - 25 - 1201=3, 4.1/6511=3...(9) H THR 42 - H ILE 80 OK 12 78 - 14 - 6459/3.7=2, 6457/4.6=2...(6) Peak 1195 from nnoeabs.peaks (4.27, 7.96, 117.78 ppm; 4.48 A): 6 out of 16 assignments used, quality = 0.91: * HA ALA 79 + H ASP 81 OK 67 100 - 67 - 3.6/1121=19, 3.0/1196=19...(14) HA3 GLY 85 + H ASP 84 OK 42 58 - 72 - 3.0/394=22, ~4345=19...(9) HA ALA 79 + H ASP 84 OK 33 59 - 56 - 4799/4.6=14, 3.6/1121=12...(11) HA3 GLY 85 + H ASP 81 OK 13 100 - 13 - 3.0/394=7, 1202/4.6=2...(4) HD2 PRO 73 + H ASP 81 OK 11 99 - 11 - 1202/4.6=2, 6322/4.0=1...(4) HD2 PRO 73 + H ASP 84 OK 11 57 - 18 - 6320/4.3=4, 6599/4.6=3...(6) HA LYS 63 - H ASP 81 lone 7 100 - 7 - HA LYS 63 - H ASP 84 lone 5 59 - 8 - ~6622=2, 1208/4.7=2, 6599/4.6=1 HA VAL 68 - H ASP 81 lone 5 78 - 6 - HA GLU 58 - H ASP 81 lone 4 100 - 4 - HA LYS 45 - H ASP 81 lone 3 73 - 4 - HA VAL 68 - H ASP 84 lone 3 40 - 8 - 4799/4.6=3 HA3 GLY 64 - H ASP 81 lone 3 63 - 5 - HA LYS 45 - H ASP 84 lone 3 37 - 7 - ~6629=2, 4799/4.6=1 HA GLU 58 - H ASP 84 lone 2 59 - 3 - 1208/4.7=1 HA3 GLY 64 - H ASP 84 lone 1 30 - 5 - Peak 1196 from nnoeabs.peaks (8.12, 7.96, 117.78 ppm; 4.32 A): 2 out of 8 assignments used, quality = 0.73: * H ALA 79 + H ASP 81 OK 64 100 - 64 - 362/4.6=22, 3.6/1197=19...(13) H ALA 79 + H ASP 84 OK 26 59 - 44 - 1120/4.6=9, 4.6/1121=8...(10) H ILE 39 - H ASP 81 lone 8 100 - 8 - 362/4.6=2, 4468/1198=1 H GLU 23 - H ASP 81 lone 6 99 - 6 - 3.6/1198=2, 362/4.6=2 H ASN 13 - H ASP 81 lone 4 63 - 7 - 4.0/6548=2, 4.0/963=2 H ILE 39 - H ASP 84 lone 2 58 - 4 - H GLU 23 - H ASP 84 lone 1 58 - 3 - H ASN 13 - H ASP 84 lone 1 30 - 3 - Peak 1197 from nnoeabs.peaks (4.16, 7.96, 117.78 ppm; 3.65 A): 2 out of 16 assignments used, quality = 0.72: * HA ALA 78 + H ASP 81 OK 66 100 - 66 - 4474=22, 4477/4.0=19...(9) HA ALA 78 + H ASP 84 OK 17 59 - 28 - 4474=9, 3.6/1196=5...(8) HA VAL 25 - H ASP 81 lone 6 99 - 6 - 4476/4.0=1, 4478/4.0=1 HA3 GLY 90 - H ASP 81 lone 6 100 - 6 - 1190/4.6=2 HA THR 99 - H ASP 81 lone 5 87 - 5 - 4476/4.0=1, 4478/4.0=1 HA GLN 36 - H ASP 81 lone 4 63 - 7 - ~7156=2 HA3 GLY 60 - H ASP 81 lone 3 81 - 3 - HA3 GLY 47 - H ASP 81 lone 2 81 - 2 - HB THR 15 - H ASP 81 lone 2 68 - 2 - HA THR 99 - H ASP 84 lone 1 46 - 3 - HA VAL 25 - H ASP 84 lone 1 57 - 2 - HA3 GLY 90 - H ASP 84 lone 1 59 - 1 - HA3 GLY 47 - H ASP 84 lone 1 41 - 2 - HA3 GLY 60 - H ASP 84 lone 0 41 - 1 - HA GLN 36 - H ASP 84 lone 0 30 - 1 - HB THR 15 - H ASP 84 lone 0 33 - 1 - Peak 1198 from nnoeabs.peaks (3.79, 7.96, 117.78 ppm; 4.39 A): 3 out of 14 assignments used, quality = 0.76: * HA LYS 77 + H ASP 81 OK 65 100 - 66 - 4471/4.5=16, 4472=16...(15) HA LYS 77 + H ASP 84 OK 19 59 - 32 - 4472=8, 4469/4.6=6...(13) HA ILE 40 + H ASP 81 OK 15 100 - 15 - 1192/4.6=4, 4471/4.5=3 HA2 GLY 22 - H ASP 81 poor 10 90 - 11 - 4471/4.5=3, 1192/4.6=2 HA SER 89 - H ASP 81 lone 7 98 - 7 - 1192/4.6=2, 4.7/1197=1 HD2 PRO 92 - H ASP 81 lone 7 100 - 6 - 4471/4.5=1, 1192/4.6=1 HA ILE 40 - H ASP 84 lone 5 59 - 8 - 5433/4.3=3 HB3 SER 11 - H ASP 81 lone 3 100 - 3 - HA2 GLY 22 - H ASP 84 lone 3 48 - 5 - ~6622=2 HA2 GLY 60 - H ASP 81 lone 3 71 - 3 - 1.8/1197=1 HA SER 89 - H ASP 84 lone 2 56 - 3 - HD2 PRO 92 - H ASP 84 lone 1 59 - 2 - HB3 SER 11 - H ASP 84 lone 1 59 - 1 - HA2 GLY 60 - H ASP 84 lone 0 35 - 1 - Peak 1200 from nnoeabs.peaks (3.42, 8.49, 117.22 ppm; 4.63 A): 4 out of 8 assignments used, quality = 0.84: * HA ILE 80 + H TRP 82 OK 67 100 - 67 - 3.6/372=19, 3.0/1201=17...(12) HB2 PHE 83 + H TRP 82 OK 37 95 - 40 - 1207/4.6=15, 2.4/1201=14...(8) HB2 PHE 70 + H ASP 72 OK 14 32 - 44 - 325/4.6=15, 6223/4.5=11...(8) HB2 PHE 34 + H TRP 82 OK 12 100 - 12 - 1207/4.6=4, 5276/6578=1 HA ILE 80 - H ASP 72 poor 9 45 - 18 - 4487=4, 3.0/1194=3...(7) HB2 PHE 70 - H TRP 82 lone 6 83 - 7 - 977/4.6=2 HB2 PHE 83 - H ASP 72 poor 5 39 - 12 - ~6285=3, 2.4/4733=2...(4) HB2 PHE 34 - H ASP 72 lone 3 45 - 7 - 4433/4.8=2, 325/4.6=1 Peak 1201 from nnoeabs.peaks (7.57, 8.49, 117.22 ppm; 4.21 A): 4 out of 6 assignments used, quality = 0.92: * H ILE 80 + H TRP 82 OK 76 100 - 77 - 1194=15, 1121/4.6=13...(19) QD PHE 83 + H TRP 82 OK 57 93 - 61 - 4801/5.9=11, 982/4.6=10...(19) HE21 GLN 48 + H TRP 82 OK 11 97 - 11 - 6557/4.0=1, 365/4.6=1, ~6560=1 H ILE 80 + H ASP 72 OK 11 45 - 24 - 1194=4, 6511/4.1=3...(9) QD PHE 83 - H ASP 72 poor 6 38 - 15 - 6599/4.8=3, ~6285=2, 4733=2 HE21 GLN 48 - H ASP 72 lone 1 41 - 3 - Peak 1202 from nnoeabs.peaks (4.27, 8.49, 117.22 ppm; 3.82 A): 4 out of 16 assignments used, quality = 0.83: * HA ALA 79 + H TRP 82 OK 65 100 - 66 - 4481=18, 4482/4.0=17...(14) HD2 PRO 73 + H ASP 72 OK 37 43 - 85 - 4.8=50, 6328/3.0=26...(12) HA3 GLY 85 + H TRP 82 OK 12 100 - 12 - 1208/4.6=3, 3.0/6641=2...(4) HD2 PRO 73 + H TRP 82 OK 11 99 - 11 - 4483/4.0=2, 1208/4.6=2 HA ALA 79 - H ASP 72 poor 8 45 - 18 - 4481=4, 3.0/6457=3...(6) HA LYS 63 - H TRP 82 lone 6 100 - 6 - 4483/4.0=1, 4485/4.0=1 HA3 GLY 85 - H ASP 72 poor 6 44 - 14 - 6282/3.0=3, ~6283=2...(5) HA GLU 58 - H TRP 82 lone 5 100 - 5 - 4485/4.0=2, 4483/4.0=1 HA LYS 45 - H TRP 82 lone 4 73 - 5 - 3.8/6576=2 HA VAL 68 - H TRP 82 lone 4 78 - 5 - 4483/4.0=1 HA GLU 58 - H ASP 72 lone 3 45 - 7 - 6292/4.1=2, 6282/3.0=2 HA LYS 63 - H ASP 72 lone 3 45 - 6 - 6291/4.1=2, 6282/3.0=2 HA3 GLY 64 - H TRP 82 lone 2 63 - 4 - HA VAL 68 - H ASP 72 lone 1 29 - 4 - ~6144=2 HA LYS 45 - H ASP 72 lone 0 27 - 2 - HA3 GLY 64 - H ASP 72 lone 0 22 - 2 - Peak 1203 from nnoeabs.peaks (4.16, 8.49, 117.22 ppm; 4.16 A): 1 out of 16 assignments used, quality = 0.75: * HA ALA 78 + H TRP 82 OK 75 100 - 75 - 4477/4.4=22, 4475/4.4=21...(12) HA THR 99 - H TRP 82 lone 8 87 - 9 - 4476/4.4=2, 3.0/464=2 HA ALA 78 - H ASP 72 poor 7 45 - 16 - 4479=4, 2.1/6433=3...(4) HA VAL 25 - H TRP 82 lone 6 99 - 6 - 4476/4.4=2, 4478/4.4=1 HA3 GLY 90 - H TRP 82 lone 5 100 - 5 - 1197/4.6=1, 4476/4.4=1 HA GLN 36 - H TRP 82 lone 3 63 - 5 - HB THR 15 - H TRP 82 lone 2 68 - 4 - HA3 GLY 60 - H TRP 82 lone 2 81 - 3 - HA3 GLY 47 - H TRP 82 lone 2 81 - 2 - HA THR 99 - H ASP 72 lone 1 34 - 4 - 3.0/464=2 HB THR 15 - H ASP 72 lone 1 25 - 5 - ~4550=3 HA3 GLY 90 - H ASP 72 lone 1 44 - 2 - HA VAL 25 - H ASP 72 lone 1 43 - 1 - HA3 GLY 47 - H ASP 72 lone 0 31 - 1 - HA3 GLY 60 - H ASP 72 lone 0 31 - 1 - HA GLN 36 - H ASP 72 lone 0 22 - 1 - Peak 1207 from nnoeabs.peaks (3.42, 8.48, 111.91 ppm; 3.36 A): 3 out of 4 assignments used, quality = 0.92: HB2 PHE 83 + H PHE 83 OK 79 95 - 84 - 4.0=59, 1.8/978=27...(12) * HA ILE 80 + H PHE 83 OK 48 100 - 49 - 4491/4.0=12, 3.0/982=8...(13) HB2 PHE 34 + H PHE 83 OK 22 100 - 22 - 1.8/6601=8, 4.4/6590=6 HB2 PHE 70 - H PHE 83 lone 8 83 - 9 - 1.8/6601=2, 7118/4.0=2 Peak 1208 from nnoeabs.peaks (4.27, 8.48, 111.91 ppm; 4.32 A): 4 out of 8 assignments used, quality = 0.88: * HA ALA 79 + H PHE 83 OK 76 100 - 77 - 4482/4.3=20, 4486=17...(14) HA3 GLY 85 + H PHE 83 OK 31 100 - 32 - 3.0/6641=8, 3.6/6670=8...(9) HD2 PRO 73 + H PHE 83 OK 19 99 - 19 - 6320/4.0=4, 6599/4.4=3...(8) HA LYS 63 + H PHE 83 OK 10 100 - 10 - 4483/4.3=1, 4485/4.3=1...(4) HA GLU 58 - H PHE 83 lone 7 100 - 7 - 4485/4.3=2, 4483/4.3=2 HA VAL 68 - H PHE 83 lone 6 78 - 8 - 4799/4.4=3, 4483/4.3=1 HA3 GLY 64 - H PHE 83 lone 6 63 - 9 - 1.8/5980=2, 5981=1 HA LYS 45 - H PHE 83 lone 5 73 - 7 - Peak 1211 from nnoeabs.peaks (4.31, 7.95, 118.26 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.59: HA ASP 81 + H ASP 81 OK 59 59 - 100 - 3.0=100 Reference assignment not found: HA ASP 81 - H ASP 84 Peak 4503 from nnoeabs.peaks (8.47, 7.02, 110.91 ppm; 4.33 A): 6 out of 9 assignments used, quality = 0.91: H ALA 98 + HD21 ASN 13 OK 76 100 - 77 - 2.9/4517=25, 4.4/4510=20...(9) H THR 15 + HD21 ASN 13 OK 26 85 - 31 - 4559/3.5=9, 4558/4.3=9...(7) H TRP 82 + HD21 ASN 13 OK 18 85 - 21 - 4504/1.7=3, 967/3.5=3...(8) H PHE 83 + HD21 ASN 13 OK 17 100 - 17 - 378/3.5=3, 6589=3...(6) H LEU 21 + HD21 ASN 13 OK 12 99 - 12 - 5.2/4518=3, 4504/1.7=2...(5) H ASP 72 + HD21 ASN 13 OK 10 100 - 10 - 930/3.5=2, 6301/5.7=2 H THR 42 - HD21 ASN 13 lone 8 100 - 7 - 4504/1.7=2, 4559/3.5=1 H ILE 93 - HD21 ASN 13 lone 4 87 - 5 - H ASP 71 - HD21 ASN 13 lone 1 73 - 2 - Peak 4504 from nnoeabs.peaks (8.48, 7.27, 110.91 ppm; 4.71 A): 6 out of 9 assignments used, quality = 0.89: H ALA 98 + HD22 ASN 13 OK 75 100 - 75 - 4.4/4512=24, 2.9/4519=22...(8) H THR 15 + HD22 ASN 13 OK 22 73 - 31 - 4559/3.5=9, 4558/4.3=8...(6) H TRP 82 + HD22 ASN 13 OK 16 93 - 17 - 4503/1.7=4, 967/3.5=4...(5) H PHE 83 + HD22 ASN 13 OK 13 100 - 13 - 6589/1.7=4, 378/3.5=4 H LEU 21 + HD22 ASN 13 OK 12 97 - 12 - 5.2/4520=3, 4503/1.7=3...(4) H ASP 72 + HD22 ASN 13 OK 11 100 - 11 - 6301/5.7=3, 930/3.5=3...(4) H THR 42 - HD22 ASN 13 lone 7 99 - 7 - 4503/1.7=2, 4559/3.5=1 H ILE 93 - HD22 ASN 13 lone 4 76 - 5 - 4503/1.7=1 H ASP 71 - HD22 ASN 13 lone 1 60 - 2 - Peak 4507 from nnoeabs.peaks (7.34, 7.02, 110.91 ppm; 4.03 A): 3 out of 4 assignments used, quality = 0.80: QD PHE 97 + HD21 ASN 13 OK 72 100 - 72 - 2.4/4510=27, 2.4/4509=20...(9) HZ2 TRP 82 + HD21 ASN 13 OK 18 100 - 18 - 4603=5, 4506/3.5=4...(5) H GLY 38 + HD21 ASN 13 OK 12 100 - 12 - 4506/3.5=4, 4505/3.5=3 HD21 ASN 91 - HD21 ASN 13 poor 9 76 - 12 - 3.5/4509=3, 3.5/4509=3...(5) Peak 4509 from nnoeabs.peaks (2.90, 7.02, 110.91 ppm; 4.62 A): 3 out of 5 assignments used, quality = 0.86: HB3 PHE 97 + HD21 ASN 13 OK 81 96 - 85 - 1.8/4510=37, 4511/1.7=31...(8) HB2 ASN 91 + HD21 ASN 13 OK 12 92 - 13 - 4511/1.7=4, ~4511=3...(4) HB3 ASN 91 + HD21 ASN 13 OK 12 90 - 13 - 4511/1.7=4, ~4511=3...(4) HB2 ASN 24 - HD21 ASN 13 lone 3 92 - 3 - 4511/1.7=1 HB3 PHE 88 - HD21 ASN 13 lone 2 73 - 3 - Peak 4510 from nnoeabs.peaks (3.20, 7.02, 110.91 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.77: HB2 PHE 97 + HD21 ASN 13 OK 77 100 - 77 - 4512/1.7=31, 6981=24...(8) HD3 ARG 57 - HD21 ASN 13 lone 6 98 - 5 - 4512/1.7=3, ~4512=2 HB2 ASP 84 - HD21 ASN 13 lone 6 99 - 6 - 4512/1.7=2, 6637/4518=1 HD2 ARG 57 - HD21 ASN 13 lone 6 97 - 5 - 4512/1.7=3, ~4512=2 Peak 4511 from nnoeabs.peaks (2.90, 7.27, 110.91 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.77: HB3 PHE 97 + HD22 ASN 13 OK 77 96 - 81 - 1.8/4512=35, 4509/1.7=27...(8) HB2 ASN 91 - HD22 ASN 13 poor 10 92 - 10 - 4509/1.7=4, ~4509=3, ~4507=2 HB3 ASN 91 - HD22 ASN 13 poor 9 90 - 10 - 4509/1.7=4, ~4509=3, ~4507=2 HB2 ASN 24 - HD22 ASN 13 lone 3 92 - 3 - 4509/1.7=1 HB3 PHE 88 - HD22 ASN 13 lone 2 73 - 3 - Peak 4512 from nnoeabs.peaks (3.20, 7.27, 110.91 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.68: HB2 PHE 97 + HD22 ASN 13 OK 68 98 - 70 - 4510/1.7=30, 1.8/4511=24...(8) HD3 ARG 57 - HD22 ASN 13 lone 5 100 - 5 - 4510/1.7=2, ~4510=2 HD2 ARG 57 - HD22 ASN 13 lone 5 99 - 5 - 4510/1.7=2, ~4510=2 HB2 ASP 84 - HD22 ASN 13 lone 5 97 - 5 - 4510/1.7=2 Peak 4513 from nnoeabs.peaks (4.15, 7.27, 110.91 ppm; 5.04 A): 3 out of 8 assignments used, quality = 0.83: HA THR 99 + HD22 ASN 13 OK 75 93 - 80 - 7131=45, 4514/1.7=24...(9) HB THR 15 + HD22 ASN 13 OK 17 78 - 22 - 4514/1.7=6, 4568/4519=4...(6) HA ALA 78 + HD22 ASN 13 OK 17 100 - 17 - 4514/1.7=6, 4475/3.5=4, ~6432=3 HA VAL 25 - HD22 ASN 13 lone 8 100 - 8 - 4514/1.7=3, 4896/4519=2 HA GLN 36 - HD22 ASN 13 lone 5 73 - 7 - 4514/1.7=2 HA3 GLY 90 - HD22 ASN 13 lone 4 99 - 4 - 4514/1.7=2 HA3 GLY 60 - HD22 ASN 13 lone 1 71 - 2 - HA3 GLY 47 - HD22 ASN 13 lone 1 71 - 2 - Peak 4514 from nnoeabs.peaks (4.15, 7.02, 110.91 ppm; 4.65 A): 3 out of 8 assignments used, quality = 0.74: HA THR 99 + HD21 ASN 13 OK 64 93 - 68 - 7131/1.7=31, 7132=22...(8) HB THR 15 + HD21 ASN 13 OK 16 78 - 20 - 4568/4517=5, 4513/1.7=5...(6) HA ALA 78 + HD21 ASN 13 OK 16 100 - 16 - 4513/1.7=5, 4475/3.5=4...(4) HA VAL 25 - HD21 ASN 13 lone 8 100 - 7 - 4513/1.7=2, 4896/4517=2 HA GLN 36 - HD21 ASN 13 lone 6 73 - 8 - 4513/1.7=1 HA3 GLY 90 - HD21 ASN 13 lone 4 99 - 4 - 3.6/1022=2 HA3 GLY 60 - HD21 ASN 13 lone 1 71 - 2 - HA3 GLY 47 - HD21 ASN 13 lone 1 71 - 2 - Peak 4517 from nnoeabs.peaks (1.27, 7.02, 110.91 ppm; 4.19 A): 1 out of 6 assignments used, quality = 0.60: QB ALA 98 + HD21 ASN 13 OK 60 100 - 60 - 4519/1.7=17, 2.9/4503=13...(10) HG12 ILE 16 - HD21 ASN 13 lone 7 76 - 9 - 4519/1.7=3, 6961/4509=1...(4) QG2 THR 26 - HD21 ASN 13 lone 4 100 - 4 - 4519/1.7=1 HG3 LYS 35 - HD21 ASN 13 lone 3 100 - 3 - 4519/1.7=1 HG13 ILE 39 - HD21 ASN 13 lone 3 85 - 3 - 4519/1.7=1 HG3 LYS 86 - HD21 ASN 13 lone 1 89 - 2 - Peak 4518 from nnoeabs.peaks (1.10, 7.02, 110.91 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.77: QG2 THR 99 + HD21 ASN 13 OK 67 89 - 75 - 7024=25, 4520/1.7=24...(9) QG2 VAL 95 + HD21 ASN 13 OK 17 100 - 17 - 4520/1.7=6, 6885/4510=3...(4) HG LEU 21 + HD21 ASN 13 OK 17 100 - 17 - 4520/1.7=6, 6960/4510=4...(4) Peak 4519 from nnoeabs.peaks (1.28, 7.27, 110.91 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.69: QB ALA 98 + HD22 ASN 13 OK 65 92 - 71 - 4517/1.7=30, 2.9/4504=17...(9) HG12 ILE 16 + HD22 ASN 13 OK 11 99 - 11 - 4517/1.7=3, 4644/5.7=2...(4) QG2 THR 26 - HD22 ASN 13 lone 5 90 - 5 - 4517/1.7=2 HG13 ILE 39 - HD22 ASN 13 lone 5 100 - 5 - 4517/1.7=2 HG3 LYS 35 - HD22 ASN 13 lone 4 92 - 5 - 4517/1.7=2 Peak 4520 from nnoeabs.peaks (1.09, 7.27, 110.91 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.79: QG2 THR 99 + HD22 ASN 13 OK 69 97 - 71 - 3.2/7131=31, 4518/1.7=28...(7) QG2 VAL 95 + HD22 ASN 13 OK 19 99 - 19 - 4518/1.7=7, 6960/4512=3...(4) HG LEU 21 + HD22 ASN 13 OK 18 97 - 19 - 4518/1.7=7, 6960/4512=4...(4) Peak 4523 from nnoeabs.peaks (3.06, 7.21, 112.95 ppm; 5.04 A): 5 out of 6 assignments used, quality = 0.73: HE2 LYS 41 + HD22 ASN 14 OK 34 93 - 37 - 3.0/5486=14, 3.0/5486=14...(5) HE2 LYS 77 + HD22 ASN 14 OK 25 99 - 25 - 3.0/3310=6, 4.9/3270=4...(8) HE3 LYS 41 + HD22 ASN 14 OK 23 63 - 36 - 3.0/5486=14, 3.0/5486=14...(5) HE3 LYS 77 + HD22 ASN 14 OK 16 65 - 24 - 3.0/3310=6, 4.9/3270=4...(8) HB2 SER 75 + HD22 ASN 14 OK 15 65 - 23 - 4.6/1117=10, 4.0/1173=7 HB2 ASP 56 - HD22 ASN 14 lone 2 99 - 2 - Peak 4525 from nnoeabs.peaks (1.62, 7.21, 112.95 ppm; 4.90 A): 4 out of 8 assignments used, quality = 0.94: HD2 LYS 41 + HD22 ASN 14 OK 62 100 - 62 - 5486=18, 1.8/5486=15...(12) HD3 LYS 41 + HD22 ASN 14 OK 62 100 - 62 - 5486=18, 1.8/5486=15...(12) QB ALA 76 + HD22 ASN 14 OK 54 81 - 67 - 6378/4.4=23, 2.9/1117=12...(11) HD2 LYS 63 + HD22 ASN 14 OK 11 65 - 16 - 7134/4.4=3, 4531/3.5=3...(5) HG12 ILE 40 - HD22 ASN 14 lone 3 85 - 3 - 5420/4.4=1 HB VAL 18 - HD22 ASN 14 lone 2 90 - 2 - HB2 MET 50 - HD22 ASN 14 lone 2 60 - 2 - HG3 GLN 19 - HD22 ASN 14 lone 1 68 - 2 - Peak 4526 from nnoeabs.peaks (1.62, 7.93, 112.95 ppm; 4.97 A): 4 out of 7 assignments used, quality = 0.90: QB ALA 76 + HD21 ASN 14 OK 53 85 - 63 - 6378/4.4=25, 4308/1.7=12...(7) HD2 LYS 41 + HD21 ASN 14 OK 51 99 - 51 - 5486/1.7=16, ~5486=12...(10) HD3 LYS 41 + HD21 ASN 14 OK 51 99 - 51 - 5486/1.7=16, ~5486=12...(10) HD2 LYS 63 + HD21 ASN 14 OK 12 71 - 16 - 7134/4.4=3, 4531/3.5=3...(5) HG12 ILE 40 - HD21 ASN 14 lone 3 81 - 3 - 5420/4.4=1 HB VAL 18 - HD21 ASN 14 lone 2 87 - 2 - HG3 GLN 19 - HD21 ASN 14 lone 1 63 - 2 - Peak 4537 from nnoeabs.peaks (4.41, 8.39, 118.50 ppm; 5.19 A): 3 out of 7 assignments used, quality = 0.78: HA PRO 73 + H ASN 14 OK 58 89 - 65 - 6309/3.0=39, 6306/4.0=20...(5) HA PRO 74 + H ASN 14 OK 30 97 - 31 - 7135/3.0=11, 4536/4.0=7...(6) HA ASP 71 + H ASN 14 OK 26 100 - 26 - 3.6/7167=11, 7135/3.0=4...(6) HB THR 46 - H ASN 14 lone 5 81 - 5 - 4536/4.0=1, 7135/3.0=1 HA MET 50 - H ASN 14 lone 4 96 - 5 - 4536/4.0=1 HA SER 29 - H ASN 14 lone 4 60 - 6 - 4536/4.0=2, 7135/3.0=1 HA THR 59 - H ASN 14 lone 2 87 - 2 - Peak 4538 from nnoeabs.peaks (4.13, 8.39, 118.50 ppm; 4.56 A): 0 out of 9 assignments used, low quality = 0.31: HB THR 15 - H ASN 14 OK 21 100 - 21 - 615/4.6=18, 4872/4.6=2 HA GLU 23 - H ASN 14 OK 13 87 - 14 - 3.0/1075=5, 3.8/4081=4...(4) HA3 GLY 22 - H ASN 14 poor 9 73 - 12 - 3.6/1075=4, 4848=4 HA ALA 78 - H ASN 14 lone 6 73 - 9 - 4475/4.6=2, 1203/7167=1 HA THR 99 - H ASN 14 lone 6 99 - 6 - 4872/4.6=3, 615/4.6=1 HA VAL 25 - H ASN 14 lone 4 89 - 4 - 3.0/72=2 HA GLN 36 - H ASN 14 lone 3 100 - 3 - HB2 SER 96 - H ASN 14 lone 2 73 - 2 - HA3 GLY 90 - H ASN 14 lone 1 63 - 1 - Peak 4539 from nnoeabs.peaks (1.60, 8.39, 118.50 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.89: QB ALA 76 + H ASN 14 OK 78 100 - 78 - 6378/3.0=38, 6400=24...(12) HD2 LYS 63 + H ASN 14 OK 28 100 - 27 - 7103/3.6=11, 7134/3.0=5...(6) HD2 LYS 41 + H ASN 14 OK 16 60 - 27 - 7134/3.0=5, 4531/4.0=5...(7) HD3 LYS 41 + H ASN 14 OK 16 60 - 27 - 7134/3.0=5, 4531/4.0=5...(7) HG3 LYS 77 - H ASN 14 lone 3 63 - 5 - 4531/4.0=1, 7134/3.0=1 HG2 LYS 77 - H ASN 14 lone 3 60 - 5 - 4531/4.0=1 Peak 4540 from nnoeabs.peaks (7.34, 8.46, 118.65 ppm; 4.76 A): 0 out of 8 assignments used, low quality = 0.40: QD PHE 97 - H THR 15 OK 23 99 - 23 - 4754=5, 6395/4563=3...(10) H GLY 38 - H THR 15 OK 23 100 - 23 - 5335/3.6=8, 4505/4.6=4...(5) QD PHE 97 - H THR 42 poor 10 61 - 16 - 4754=4, 4.5/1134=4...(4) HD21 ASN 91 - H THR 15 lone 8 83 - 9 - ~4544=2, 6774/3.8=2 HZ2 TRP 82 - H THR 15 lone 6 100 - 6 - 5.0/4554=1, 4505/4.6=1 H GLY 38 - H THR 42 lone 6 62 - 9 - 4.6/5377=3, 155/4.6=1 HZ2 TRP 82 - H THR 42 lone 2 62 - 3 - 5.0/4722=1 HD21 ASN 91 - H THR 42 lone 1 45 - 3 - Peak 4554 from nnoeabs.peaks (5.24, 8.46, 118.65 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.92: HA SER 69 + H THR 15 OK 92 100 - 92 - 6204/3.0=45, 4551/4.0=32...(11) HA SER 69 - H THR 42 poor 8 61 - 13 - 6211/4.6=5, 3.6/1114=3 HD1 TRP 82 - H THR 15 lone 7 89 - 8 - 5.0/4540=2, 4722=2, 4580/4.6=1 HD1 TRP 82 - H THR 42 lone 3 49 - 7 - 4722=2 Peak 4558 from nnoeabs.peaks (4.61, 8.46, 118.65 ppm; 4.10 A): 3 out of 8 assignments used, quality = 0.56: HA ASN 13 + H THR 15 OK 36 99 - 36 - 10/4.6=23, 3.0/4559=11...(5) HA PRO 49 + H THR 42 OK 21 40 - 53 - 5502/4.0=21, 5631/3.0=17...(7) HA ASP 12 + H THR 42 OK 13 60 - 21 - 5502/4.0=5, 7143/3.0=5...(6) HA ASP 56 - H THR 15 lone 5 97 - 5 - ~4541=1 HA ASN 13 - H THR 42 lone 4 60 - 6 - 3.0/4559=1 HA PRO 49 - H THR 15 lone 3 76 - 4 - HA ASP 12 - H THR 15 lone 2 99 - 2 - HA ASP 56 - H THR 42 lone 1 57 - 2 - Peak 4559 from nnoeabs.peaks (2.72, 8.46, 118.65 ppm; 4.89 A): 2 out of 10 assignments used, quality = 0.50: HB3 ASN 13 + H THR 15 OK 43 99 - 44 - 4.6/7168=20, 3.0/4558=17...(7) HB3 ASP 72 + H THR 15 OK 13 100 - 13 - 6295/4.6=4, 12/4.6=3...(5) HB3 PHE 17 - H THR 15 poor 10 96 - 10 - 4677/4562=3, 4.0/4649=2 HB2 ASP 81 - H THR 15 lone 6 100 - 6 - 12/4.6=2 HB3 ASN 24 - H THR 15 lone 6 100 - 5 - 12/4.6=1, 4.0/7168=1 HB3 ASN 13 - H THR 42 lone 5 60 - 9 - 3.0/4558=2, 3.5/4503=1 HB3 PHE 17 - H THR 42 lone 5 55 - 8 - 4.0/4649=2, 4662/3.0=1 HB2 ASP 81 - H THR 42 lone 3 61 - 5 - HB3 ASP 72 - H THR 42 lone 2 62 - 4 - HB3 ASN 24 - H THR 42 lone 1 62 - 2 - Peak 4561 from nnoeabs.peaks (5.22, 8.81, 118.72 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.61: HA SER 69 + H ILE 16 OK 61 87 - 70 - 4552/3.6=25, 4551/4.1=20...(8) Peak 4562 from nnoeabs.peaks (1.27, 8.46, 118.65 ppm; 4.25 A): 5 out of 12 assignments used, quality = 0.86: QB ALA 98 + H THR 15 OK 59 99 - 60 - 7003/3.0=22, 7014/4.0=19...(9) HG12 ILE 16 + H THR 15 OK 47 90 - 52 - 1303/4.6=12, 4565/3.0=12...(11) HG13 ILE 39 + H THR 15 OK 18 96 - 18 - 4565/3.0=3, 3.2/5379=3...(8) QG2 THR 26 + H THR 15 OK 14 99 - 14 - 4918/4.6=4, 4569/4.0=3...(4) HG3 LYS 35 + H THR 15 OK 11 99 - 11 - 4568/3.8=2, 4569/4.0=2...(4) HG13 ILE 39 - H THR 42 poor 8 55 - 14 - 3.2/5379=4, 2.1/5381=3...(4) QB ALA 98 - H THR 42 lone 6 60 - 10 - 6985/4.6=2, 7015/4.6=1 HG12 ILE 16 - H THR 42 poor 6 51 - 11 - 1303/4.6=2, 4.6/21=1...(6) HG3 LYS 86 - H THR 42 lone 3 38 - 8 - 1.8/179=1, 4.7/6670=1 HG3 LYS 86 - H THR 15 lone 3 73 - 4 - QG2 THR 26 - H THR 42 lone 2 59 - 3 - 4918/4.6=2 HG3 LYS 35 - H THR 42 lone 2 60 - 3 - Peak 4563 from nnoeabs.peaks (1.60, 8.46, 118.65 ppm; 4.21 A): 6 out of 8 assignments used, quality = 0.90: QB ALA 76 + H THR 15 OK 69 100 - 70 - 6378/3.6=28, 6399/3.0=23...(12) HD3 LYS 41 + H THR 15 OK 22 78 - 28 - 7134/3.6=4, 4531/4.6=3...(14) HD2 LYS 41 + H THR 15 OK 22 78 - 28 - 7134/3.6=4, 4531/4.6=3...(14) HD3 LYS 41 + H THR 42 OK 20 42 - 48 - 5.4/4162=8, 3.0/179=7...(11) HD2 LYS 41 + H THR 42 OK 20 42 - 48 - 5.4/4162=8, 3.0/179=7...(11) HD2 LYS 63 + H THR 15 OK 18 97 - 18 - 7134/3.6=4, 4539/4.6=4...(7) QB ALA 76 - H THR 42 poor 6 61 - 10 - 6401=2 HD2 LYS 63 - H THR 42 lone 1 57 - 2 - Peak 4572 from nnoeabs.peaks (0.01, 8.81, 118.72 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.96: QG1 VAL 68 + H ILE 16 OK 96 100 - 97 - 2.1/7169=38, 4596/5.0=28...(21) Peak 4573 from nnoeabs.peaks (0.68, 8.81, 118.72 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 18 + H ILE 16 OK 90 97 - 92 - 4598/5.0=30, 4587/4.0=29...(15) Peak 4576 from nnoeabs.peaks (1.46, 8.81, 118.72 ppm; 4.55 A): 3 out of 7 assignments used, quality = 0.96: QG2 THR 67 + H ILE 16 OK 87 97 - 90 - 3.2/4612=30, 6082/3.6=28...(17) HG12 ILE 80 + H ILE 16 OK 46 97 - 48 - ~6533=15, ~4580=12...(9) QB ALA 31 + H ILE 16 OK 35 100 - 35 - 5102/4572=10, 5079=6...(10) HB ILE 51 - H ILE 16 OK 35 99 - 36 - 5750/4572=9, 4570/4.1=4...(12) HB2 LYS 41 - H ILE 16 OK 29 99 - 29 - 1.8/622=5, 3.8/4577=3...(10) HG2 LYS 44 - H ILE 16 lone 8 98 - 8 - HG3 LYS 94 - H ILE 16 lone 8 78 - 10 - ~3875=2, 4673/4.6=1 Peak 4577 from nnoeabs.peaks (1.61, 8.81, 118.72 ppm; 4.41 A): 5 out of 6 assignments used, quality = 0.86: QB ALA 76 + H ILE 16 OK 64 95 - 67 - 6399/3.6=21, 4589/4.0=20...(10) HB VAL 18 + H ILE 16 OK 37 73 - 50 - 2.1/4573=33, ~4705=8...(7) HD3 LYS 41 + H ILE 16 OK 18 95 - 19 - 3.8/622=3, 3.8/4576=3...(7) HD2 LYS 41 + H ILE 16 OK 18 95 - 19 - 3.8/622=3, 3.8/4576=3...(7) HG12 ILE 40 + H ILE 16 OK 13 65 - 20 - 5452/4572=6, 3.2/620=4...(5) HD2 LYS 63 - H ILE 16 lone 9 85 - 10 - 4567/3.6=2, 4563/4.6=2 Peak 4612 from nnoeabs.peaks (5.75, 8.81, 118.72 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.88: HA THR 67 + H ILE 16 OK 88 100 - 88 - 4553/4.1=30, 6053=26...(14) Peak 4613 from nnoeabs.peaks (6.99, 8.81, 118.72 ppm; 4.44 A): 4 out of 9 assignments used, quality = 0.79: QE PHE 70 + H ILE 16 OK 50 76 - 66 - 2.2/4614=32, 4720/5.0=10...(13) QE PHE 83 + H ILE 16 OK 37 99 - 38 - 4838/5.0=9, 4631/4.6=7...(10) HZ PHE 88 + H ILE 16 OK 24 97 - 24 - 4631/4.6=4, 4852/4.0=4...(8) HE22 GLN 48 + H ILE 16 OK 13 96 - 13 - 4.6/5587=2, 6.9/5585=2...(5) HD21 ASN 13 - H ILE 16 poor 8 63 - 14 - 4517/6985=3, 5.7/4637=2...(6) HD21 ASN 52 - H ILE 16 lone 8 100 - 8 - 6067/6057=1 QE PHE 17 - H ILE 16 poor 8 76 - 10 - 6067/6057=3, 4786/4.0=2...(4) HD21 ASN 24 - H ILE 16 lone 4 100 - 4 - HE22 GLN 19 - H ILE 16 lone 2 87 - 2 - Peak 4614 from nnoeabs.peaks (7.07, 8.81, 118.72 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.63: QD PHE 70 + H ILE 16 OK 63 83 - 77 - 4634/5.0=23, 7175/4.6=21...(9) Peak 4637 from nnoeabs.peaks (8.09, 8.81, 118.72 ppm; 3.62 A): 3 out of 6 assignments used, quality = 0.91: H VAL 68 + H ILE 16 OK 88 99 - 88 - 6166=32, 6164/3.6=19...(21) H ASN 13 + H ILE 16 OK 14 100 - 14 - 4542/3.6=2, 4547/4.1=2...(5) H ILE 39 + H ILE 16 OK 11 73 - 15 - 5376/4614=3, 4644/4.6=2...(7) H ALA 79 - H ILE 16 poor 9 60 - 15 - 6482/5.0=4, 4642/4.0=3...(5) H GLU 23 - H ILE 16 lone 6 76 - 8 - H THR 59 - H ILE 16 lone 5 63 - 8 - 4645/4.6=2 Peak 4638 from nnoeabs.peaks (8.96, 8.81, 118.72 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.95: H PHE 70 + H ILE 16 OK 88 100 - 89 - 6216=35, 6218/3.6=35...(15) H VAL 18 + H ILE 16 OK 48 76 - 63 - 3.9/4573=25, 4698/4612=9...(15) H ASP 56 + H ILE 16 OK 14 89 - 15 - 4541/3.6=2, 4546/4.1=2...(4) Peak 4649 from nnoeabs.peaks (8.48, 9.54, 123.74 ppm; 4.56 A): 1 out of 9 assignments used, quality = 0.94: H ALA 98 + H PHE 17 OK 94 100 - 95 - 6983=48, 6996/3.6=31...(16) H LEU 21 - H PHE 17 OK 23 97 - 23 - 4639/3.6=5, 4.7/31=5...(7) H THR 15 - H PHE 17 OK 22 73 - 30 - 4639/3.6=8, 1067/4.6=7...(8) H PHE 83 - H PHE 17 OK 20 100 - 21 - 3.6/4656=5, 6608/6930=4...(6) H ASP 72 - H PHE 17 OK 19 100 - 19 - 929/4.0=4, 4.1/626=4...(4) H TRP 82 - H PHE 17 OK 19 93 - 20 - 3.0/4656=5, ~4659=4...(7) H THR 42 - H PHE 17 OK 18 99 - 18 - 1094/4.6=3, 4.6/30=2...(8) H ASP 71 - H PHE 17 poor 6 60 - 10 - 6257/4.9=2, 21/4.6=2...(6) H ILE 93 - H PHE 17 lone 5 76 - 6 - 4639/3.6=1 Peak 4655 from nnoeabs.peaks (4.76, 9.54, 123.74 ppm; 4.46 A): 3 out of 3 assignments used, quality = 0.82: HA PHE 97 + H PHE 17 OK 74 100 - 74 - 7137=32, 3.6/6983=31...(6) HA GLN 19 + H PHE 17 OK 18 100 - 18 - 4615/3.6=7, 7058/4.4=5...(5) HA TYR 54 + H PHE 17 OK 14 98 - 14 - 4615/3.6=3, 3.0/626=3...(6) Peak 4656 from nnoeabs.peaks (4.37, 9.54, 123.74 ppm; 5.04 A): 1 out of 9 assignments used, quality = 0.95: HA ALA 98 + H PHE 17 OK 95 100 - 96 - 6984=44, 3.0/6983=41...(10) HA TRP 82 - H PHE 17 OK 38 97 - 40 - 6579/4.0=22, 4659/2.9=8...(6) HA LEU 62 - H PHE 17 OK 17 98 - 16 - 4659/2.9=3, 4.0/4671=3...(6) HA LYS 61 - H PHE 17 OK 14 83 - 17 - 4659/2.9=3, 4661/4.0=2...(7) HA PRO 73 - H PHE 17 OK 14 73 - 19 - ~6342=7, 4662/4.0=6...(4) HA THR 42 - H PHE 17 OK 10 99 - 10 - 3.0/4649=3, 4659/2.9=2...(5) HA SER 29 - H PHE 17 lone 4 96 - 4 - HA SER 11 - H PHE 17 lone 3 93 - 3 - HB THR 46 - H PHE 17 lone 2 83 - 2 - Peak 4671 from nnoeabs.peaks (0.98, 9.54, 123.74 ppm; 4.35 A): 3 out of 3 assignments used, quality = 0.92: QG1 VAL 95 + H PHE 17 OK 82 100 - 82 - 6930=28, 4.2/6931=27...(15) QB ALA 66 + H PHE 17 OK 51 78 - 66 - 6930=14, ~6051=13...(16) QD1 LEU 62 + H PHE 17 OK 11 89 - 12 - 2.1/28=2, 4.0/4656=2...(5) Peak 4672 from nnoeabs.peaks (0.69, 9.54, 123.74 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.80: QG2 VAL 18 + H PHE 17 OK 80 85 - 94 - 4670/2.9=31, 4587/4.4=27...(18) QG2 ILE 51 - H PHE 17 poor 8 65 - 13 - 2.1/4673=4, ~4665=2...(6) Peak 4673 from nnoeabs.peaks (1.46, 9.54, 123.74 ppm; 5.01 A): 2 out of 10 assignments used, quality = 0.99: QG2 THR 67 + H PHE 17 OK 97 100 - 97 - 6081/2.9=38, 6066/4.5=36...(20) HG12 ILE 80 + H PHE 17 OK 61 100 - 62 - 2.1/6546=31, 4588/4.4=9...(15) HB ILE 51 - H PHE 17 OK 30 100 - 31 - 4576/4.6=4, 2.1/4672=4...(14) HB2 LYS 41 - H PHE 17 OK 21 93 - 22 - 1.8/30=4, 4576/4.6=3...(9) QB ALA 31 - H PHE 17 OK 20 99 - 20 - 5079/4.6=5, 4588/4.4=4...(7) HG3 LYS 63 - H PHE 17 OK 19 78 - 24 - 4674/4.0=4, 4676/4.0=4...(8) HG2 LYS 63 - H PHE 17 OK 19 78 - 24 - 4674/4.0=4, 4676/4.0=4...(8) HG3 LYS 94 - H PHE 17 OK 16 93 - 17 - 4.0/26=4, 4665/2.9=1...(8) HG13 ILE 51 - H PHE 17 OK 15 78 - 19 - 3.2/4672=3, 4665/2.9=3...(8) HG2 LYS 44 - H PHE 17 lone 8 89 - 8 - Peak 4684 from nnoeabs.peaks (8.09, 8.94, 127.85 ppm; 5.09 A): 2 out of 6 assignments used, quality = 0.90: H VAL 68 + H VAL 18 OK 87 99 - 88 - 3.6/4698=40, 6144/3.6=30...(18) H ASN 13 + H VAL 18 OK 22 100 - 22 - 4650/3.6=4, 4691/3.9=3...(7) H ILE 39 - H VAL 18 poor 8 73 - 11 - 1091/4.7=2, 755/3.9=1, 4.0/635=1 H THR 59 - H VAL 18 poor 7 63 - 11 - 4.6/5928=2, 4691/3.9=2...(4) H ALA 79 - H VAL 18 lone 6 60 - 9 - 6922/4708=2, 6482/4646=1 H GLU 23 - H VAL 18 lone 3 76 - 4 - Peak 4698 from nnoeabs.peaks (5.75, 8.94, 127.85 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.82: HA THR 67 + H VAL 18 OK 82 100 - 82 - 4657/3.6=27, 6106/3.9=19...(20) Peak 4707 from nnoeabs.peaks (0.28, 8.94, 127.85 ppm; 4.38 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 21 + H VAL 18 OK 67 100 - 67 - 4811/3.9=15, 4716/3.9=15...(16) QG2 VAL 68 + H VAL 18 OK 57 92 - 62 - 4.0/4684=14...(15) QD1 ILE 16 + H VAL 18 OK 53 73 - 72 - 4598/3.9=24, 4052/4.6=14...(16) Peak 4708 from nnoeabs.peaks (0.97, 8.94, 127.85 ppm; 4.07 A): 3 out of 3 assignments used, quality = 0.85: QG1 VAL 95 + H VAL 18 OK 62 96 - 64 - 6912/3.9=19, 4714/3.9=13...(13) QB ALA 66 + H VAL 18 OK 56 99 - 57 - 4.4/4698=22, 4714/3.9=11...(13) QD1 ILE 27 + H VAL 18 OK 13 83 - 15 - 4954/3.0=2, 6097/4698=2...(7) Peak 4709 from nnoeabs.peaks (1.12, 8.94, 127.85 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.80: QG2 VAL 95 + H VAL 18 OK 62 78 - 79 - 6907/3.9=32, 2.1/4708=23...(10) HG LEU 21 + H VAL 18 OK 49 87 - 57 - 7066/3.9=23, 2.1/4707=18...(6) QG2 THR 46 - H VAL 18 lone 2 98 - 2 - Peak 4710 from nnoeabs.peaks (1.25, 8.94, 127.85 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.83: QB ALA 98 + H VAL 18 OK 78 92 - 85 - 4666/3.6=26, 6987/4.6=26...(14) HG3 LYS 86 + H VAL 18 OK 12 100 - 12 - 4666/3.6=3, 4677/4.4=2 QG2 THR 26 + H VAL 18 OK 10 93 - 11 - 4666/3.6=3, 4677/4.4=2 HG3 LYS 35 - H VAL 18 poor 9 92 - 10 - 4666/3.6=3, 4677/4.4=2 QG2 THR 59 - H VAL 18 lone 5 63 - 8 - 4.2/5928=2, 4.0/4684=2 Peak 4711 from nnoeabs.peaks (1.45, 8.94, 127.85 ppm; 4.03 A): 3 out of 12 assignments used, quality = 0.92: QG2 THR 67 + H VAL 18 OK 87 100 - 87 - 3.2/4698=30, 6081/3.6=25...(19) HB ILE 51 + H VAL 18 OK 24 99 - 24 - 3.2/635=4, 3021/4698=3...(12) HG12 ILE 80 + H VAL 18 OK 21 100 - 21 - 4665/3.6=4, 4673/4.6=3...(9) HG13 ILE 51 - H VAL 18 OK 17 89 - 19 - 2.1/635=5, 4665/3.6=2...(11) HG2 LYS 63 - H VAL 18 OK 16 89 - 18 - 4674/4.4=3, 4665/3.6=3...(6) HG3 LYS 63 - H VAL 18 OK 16 89 - 18 - 4674/4.4=3, 4665/3.6=3...(6) QB ALA 31 - H VAL 18 OK 14 95 - 14 - 5102/6177=2, 5090/3.9=1...(4) HG3 LYS 94 - H VAL 18 lone 10 98 - 10 - ~6867=4 HB2 LYS 41 - H VAL 18 lone 8 85 - 9 - 4665/3.6=1, 4673/4.6=1 HG3 LYS 61 - H VAL 18 poor 6 60 - 10 - 3.0/634=1, 4652/4.5=1...(5) HD3 LYS 86 - H VAL 18 lone 4 60 - 6 - 3.0/4710=2 HG2 LYS 44 - H VAL 18 lone 3 78 - 3 - Peak 4728 from nnoeabs.peaks (0.30, 8.72, 122.18 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.77: QD1 LEU 21 + H GLN 19 OK 58 81 - 71 - 2.1/4729=19, 2.1/4730=18...(14) QG2 VAL 68 + H GLN 19 OK 46 99 - 47 - 4712/4.3=9, 4716/4.1=8...(15) Peak 4729 from nnoeabs.peaks (-0.17, 8.72, 122.18 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 21 + H GLN 19 OK 78 93 - 83 - 4717/4.1=25, 2.1/4728=23...(15) QD1 ILE 80 + H GLN 19 OK 60 99 - 60 - 4727/4.1=14, 6531/2.9=10...(14) Peak 4730 from nnoeabs.peaks (1.10, 8.72, 122.18 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.94: QG2 VAL 95 + H GLN 19 OK 84 100 - 84 - 6907/4.1=30, 6929=30...(19) HG LEU 21 + H GLN 19 OK 65 100 - 65 - 7066/4.1=17, 2.1/4728=16...(11) QG2 THR 99 - H GLN 19 lone 7 89 - 8 - 7029/5.2=3 Peak 4731 from nnoeabs.peaks (1.54, 8.72, 122.18 ppm; 3.82 A): 4 out of 11 assignments used, quality = 0.81: HB3 LYS 94 + H GLN 19 OK 62 100 - 63 - 6872=19, 4.0/4745=17...(9) HG13 ILE 93 + H GLN 19 OK 37 85 - 44 - 3.0/6797=17, 3.2/6798=12...(9) HB3 GLU 87 + H GLN 19 OK 12 85 - 14 - 3654/4.6=3, 4733/4.0=3...(6) HD2 LYS 86 + H GLN 19 OK 11 100 - 11 - 4355/4.6=5, 4733/4.0=2...(4) HB3 LYS 63 - H GLN 19 lone 8 97 - 8 - 4734/5.2=2, 4732/4.0=2 HB3 LEU 62 - H GLN 19 lone 7 93 - 7 - 5965/6868=2 HB3 PRO 49 - H GLN 19 lone 5 76 - 6 - HG2 LYS 77 - H GLN 19 lone 3 63 - 5 - 2.9/639=2, 2.9/641=1 HG3 LYS 77 - H GLN 19 lone 3 60 - 5 - 2.9/639=2, 2.9/641=1 HG2 LYS 45 - H GLN 19 lone 2 71 - 3 - HG3 LYS 44 - H GLN 19 lone 2 93 - 2 - Peak 4740 from nnoeabs.peaks (5.17, 8.72, 122.18 ppm; 4.30 A): 3 out of 3 assignments used, quality = 0.84: HA ILE 93 + H GLN 19 OK 59 87 - 68 - 3.6/4745=24, 3.0/6797=22...(10) HA LYS 94 + H GLN 19 OK 47 73 - 64 - 3.0/4745=28, 3.0/6872=19...(7) HA ILE 16 + H GLN 19 OK 26 87 - 30 - 4705/4.1=9, 4615/2.9=7...(8) Peak 4745 from nnoeabs.peaks (8.37, 8.72, 122.18 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.74: H LYS 94 + H GLN 19 OK 66 95 - 70 - 6868=28, 4.4/6797=9...(13) H ASN 52 + H GLN 19 OK 16 100 - 16 - 4.1/5707=2, 4688/4.1=2...(8) H LYS 35 + H GLN 19 OK 11 78 - 14 - 4748/4.0=2, 4688/4.1=2...(4) H ASN 24 - H GLN 19 lone 1 76 - 1 - H ASN 14 - H GLN 19 lone 0 76 - 1 - Peak 4749 from nnoeabs.peaks (1.13, 8.21, 109.03 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.75: HG LEU 21 + H GLY 20 OK 38 68 - 56 - 2.1/4750=19, 2.1/4751=14...(11) HB3 LEU 21 + H GLY 20 OK 38 65 - 58 - 3.1/4750=16, 4.0/1072=14...(10) HB2 LEU 21 + H GLY 20 OK 35 60 - 58 - 3.1/4750=16, 4.0/1072=14...(10) QG2 THR 15 - H GLY 20 lone 6 60 - 10 - 3.2/4764=6, 4.0/1072=2 QG2 THR 46 - H GLY 20 lone 2 100 - 2 - Peak 4750 from nnoeabs.peaks (0.28, 8.21, 109.03 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.89: QD1 LEU 21 + H GLY 20 OK 83 100 - 83 - 4781=27, 2.1/4751=20...(22) QG2 VAL 68 + H GLY 20 OK 35 97 - 36 - 4728/4.6=8, 654/4.6=4...(13) QD1 ILE 16 - H GLY 20 poor 8 60 - 13 - 654/4.6=3, 6506/4751=2...(5) Peak 4751 from nnoeabs.peaks (-0.17, 8.21, 109.03 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.82: QD2 LEU 21 + H GLY 20 OK 69 85 - 81 - 2.1/4750=29, 2.1/4774=21...(19) QD1 ILE 80 + H GLY 20 OK 41 97 - 43 - 4729/4.6=12, 6531/3.6=9...(11) Peak 4752 from nnoeabs.peaks (0.72, 8.21, 109.03 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.98: QG2 ILE 93 + H GLY 20 OK 95 100 - 95 - 6820/2.9=40, 6800=29...(20) QG2 ILE 51 + H GLY 20 OK 53 100 - 53 - 4759/2.9=11, 4762/2.9=10...(17) QD1 ILE 40 - H GLY 20 OK 16 65 - 24 - 2.1/50=3, 4759/2.9=2...(11) Peak 4753 from nnoeabs.peaks (0.87, 8.21, 109.03 ppm; 4.83 A): 4 out of 7 assignments used, quality = 0.83: QG1 VAL 18 + H GLY 20 OK 51 100 - 52 - 4061/4.6=24, 4703/6016=9...(9) QD1 ILE 51 + H GLY 20 OK 42 100 - 42 - 3.2/4752=10, 5708/4.6=5...(14) QG2 VAL 30 + H GLY 20 OK 32 68 - 47 - 2.1/5072=12, 2.1/5074=10...(14) QG2 ILE 80 + H GLY 20 OK 11 60 - 18 - 3.0/4751=11, 43/4.6=2...(4) QG2 ILE 39 - H GLY 20 lone 8 95 - 8 - 4152/4.6=3 QG2 THR 42 - H GLY 20 lone 6 100 - 6 - 4.0/1072=1 QG2 ILE 37 - H GLY 20 lone 4 73 - 5 - Peak 4764 from nnoeabs.peaks (5.52, 8.21, 109.03 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.73: HA GLU 65 + H GLY 20 OK 68 98 - 70 - 6016=30, 7138/3.6=20...(12) HA THR 15 + H GLY 20 OK 16 92 - 17 - 4797/4.6=4, 7138/3.6=3...(6) Peak 4767 from nnoeabs.peaks (7.99, 8.21, 109.03 ppm; 4.61 A): 5 out of 5 assignments used, quality = 0.93: H GLY 22 + H GLY 20 OK 66 100 - 66 - 4846=28, 56/4.6=16...(12) H LYS 86 + H GLY 20 OK 43 85 - 51 - 1127=9, 3.0/4350=7...(14) H VAL 30 + H GLY 20 OK 38 83 - 46 - 4.0/5072=8, 100=7...(16) H PHE 34 + H GLY 20 OK 33 100 - 33 - 4769/2.9=7, 1163/2.9=6...(10) H LYS 63 + H GLY 20 OK 14 100 - 14 - 4769/2.9=4, 5979/7112=2 Peak 4796 from nnoeabs.peaks (4.76, 8.47, 117.63 ppm; 4.11 A): 3 out of 6 assignments used, quality = 0.60: HA GLN 19 + H LEU 21 OK 35 100 - 35 - 46/4.6=23, 4.8/54=10 HA PHE 97 + H LEU 21 OK 29 98 - 29 - 3.0/4399=6, 3.0/4400=6...(8) HA GLN 19 + H ILE 93 OK 13 51 - 27 - 3.6/1072=11, ~6796=7...(5) HA TYR 54 - H LEU 21 lone 5 95 - 6 - 6005/4797=2 HA PHE 97 - H ILE 93 lone 4 47 - 8 - 3.0/4400=2, 3.0/4399=1...(4) HA TYR 54 - H ILE 93 lone 1 44 - 3 - Peak 4797 from nnoeabs.peaks (5.51, 8.47, 117.63 ppm; 5.10 A): 3 out of 4 assignments used, quality = 0.75: HA GLU 65 + H LEU 21 OK 61 100 - 61 - 4764/4.6=24, 6014=23...(6) HA THR 15 + H LEU 21 OK 28 76 - 37 - 4791/4.7=10, 4555/2.9=6...(9) HA GLU 65 + H ILE 93 OK 11 51 - 22 - 6014=7, 4764/1072=5...(6) HA THR 15 - H ILE 93 lone 2 32 - 7 - 4764/1072=1, 4791/1473=1 Peak 4798 from nnoeabs.peaks (4.25, 8.47, 117.63 ppm; 4.04 A): 6 out of 18 assignments used, quality = 0.83: HA3 GLY 64 + H LEU 21 OK 59 99 - 60 - 1.8/5980=14, 5981=14...(9) HA3 GLY 85 + H LEU 21 OK 22 90 - 25 - 3.6/6670=6, 5981=3...(10) HA VAL 68 + H LEU 21 OK 18 100 - 18 - 4835/4.6=4, 3.2/654=4...(5) HA ALA 79 + H LEU 21 OK 16 81 - 20 - 4486=4, 6478/4.0=2...(8) HA LYS 63 + H LEU 21 OK 14 73 - 19 - 4.9/5980=7, 4.9/5981=6...(4) HA3 GLY 64 + H ILE 93 OK 11 49 - 23 - 1.8/5980=5, 5981=5...(9) HA ILE 37 - H LEU 21 lone 8 81 - 10 - 3.2/4813=2, 4835/4.6=2...(5) HA3 GLY 85 - H ILE 93 poor 7 41 - 18 - 3.6/6670=5, 3.0/6641=2...(7) HA VAL 68 - H ILE 93 lone 5 51 - 9 - 6118/4.0=4, 3.2/654=1 HD2 PRO 73 - H LEU 21 lone 4 63 - 6 - ~6315=1, ~6318=1, ~4800=1 HA LYS 45 - H LEU 21 lone 4 100 - 4 - HA LYS 63 - H ILE 93 lone 2 31 - 7 - 4.9/5980=3, 4.9/5981=2 HA GLU 58 - H LEU 21 lone 1 87 - 2 - HA ALA 79 - H ILE 93 lone 1 35 - 3 - HA ILE 37 - H ILE 93 lone 1 35 - 3 - HA LYS 45 - H ILE 93 lone 1 50 - 1 - HA GLU 58 - H ILE 93 lone 0 38 - 1 - HD2 PRO 73 - H ILE 93 lone 0 25 - 1 - Peak 4812 from nnoeabs.peaks (0.73, 8.47, 117.63 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.50: QG2 ILE 93 + H ILE 93 OK 50 50 - 100 - 4.0=100 Peak 4813 from nnoeabs.peaks (0.84, 8.47, 117.63 ppm; 4.20 A): 5 out of 18 assignments used, quality = 0.92: QG2 VAL 30 + H LEU 21 OK 46 99 - 46 - 5108/4.7=13, 5107/4.7=11...(13) QG1 VAL 30 + H LEU 21 OK 44 100 - 44 - 5111/4.7=10, 5109/4.7=9...(12) QG2 ILE 16 + H LEU 21 OK 42 97 - 44 - 4586/4.7=8, 1302/4.7=5...(15) QG2 ILE 80 + H LEU 21 OK 37 100 - 37 - 3.0/653=8, 3372/4.7=7...(11) QG2 VAL 25 + H LEU 21 OK 31 76 - 41 - 4913/4.7=8, 4914/4.7=8...(10) QG2 ILE 37 - H LEU 21 OK 19 99 - 19 - 5319=2, 4586/4.7=1...(9) QG1 VAL 18 - H LEU 21 OK 19 60 - 31 - 4717/4.7=10, 4716/4.7=6...(7) QG2 ILE 40 - H LEU 21 OK 16 71 - 23 - 5450/4.7=4, 3.3/5396=3...(8) QD2 LEU 62 - H LEU 21 OK 14 100 - 14 - 4258/4.6=3, 5108/4.7=1...(4) QG2 VAL 30 - H ILE 93 OK 11 49 - 22 - 5051/4.0=7, ~6830=2...(7) QG1 VAL 18 - H ILE 93 poor 10 24 - 41 - 4702/3.0=14, 6844/4.0=8...(9) QG1 VAL 30 - H ILE 93 poor 7 51 - 13 - ~6830=2, 2.1/4373=2...(6) QG2 ILE 80 - H ILE 93 poor 5 50 - 10 - 3.0/653=2, 6844/4.0=1 QG2 ILE 16 - H ILE 93 lone 4 46 - 10 - QD2 LEU 62 - H ILE 93 lone 4 50 - 9 - 5967/4.7=3 QG2 ILE 40 - H ILE 93 poor 3 29 - 11 - 3.3/5396=2, 2024/4.0=2...(4) QG2 VAL 25 - H ILE 93 poor 3 32 - 10 - ~3808=4, 2.1/1029=1 QG2 ILE 37 - H ILE 93 lone 3 48 - 6 - Peak 4826 from nnoeabs.peaks (0.81, 8.00, 104.72 ppm; 3.99 A): 5 out of 7 assignments used, quality = 0.94: QG2 VAL 25 + H GLY 22 OK 59 99 - 60 - 2.1/4880=12, 2.1/4827=7...(18) QG1 VAL 25 + H GLY 22 OK 52 85 - 61 - 4880=13, 4901/4.6=8...(20) QD1 ILE 93 + H GLY 22 OK 36 76 - 47 - 6837/3.6=7, 3.1/6801=7...(16) QG2 ILE 40 + H GLY 22 OK 36 100 - 36 - 3.3/5399=5, 4831/3.0=5...(15) QD2 LEU 62 + H GLY 22 OK 26 65 - 39 - 2.1/4259=6, 2.1/4257=6...(12) QG2 ILE 16 - H GLY 22 OK 19 85 - 22 - 4814/3.6=4, 3.1/62=3...(12) QG1 VAL 30 - H GLY 22 OK 15 57 - 26 - 4814/3.6=4, 4903/4.6=3...(9) Peak 4827 from nnoeabs.peaks (1.99, 8.00, 104.72 ppm; 5.00 A): 2 out of 9 assignments used, quality = 0.92: HB2 GLU 23 + H GLY 22 OK 73 93 - 79 - 4.0/63=30, ~4856=15...(11) HB VAL 25 + H GLY 22 OK 71 100 - 71 - 2.1/4880=16, 7153=13...(15) HG2 PRO 49 - H GLY 22 OK 21 96 - 22 - 4833/3.0=3, 4829/3.0=3...(7) HB2 GLU 65 - H GLY 22 OK 21 93 - 23 - 3.7/6013=9, 4801/4.6=2...(7) HB2 LYS 77 - H GLY 22 OK 21 95 - 22 - 7153=3, 4897/4.6=2...(10) HB3 GLU 28 - H GLY 22 OK 19 95 - 20 - 4.4/4846=6, 3.7/1137=2...(8) HG2 GLN 19 - H GLY 22 OK 12 90 - 13 - 4066/4846=4, 4743/6013=1 HB3 GLN 36 - H GLY 22 poor 8 73 - 11 - 4.0/1170=3, 4829/3.0=1 HG3 PRO 74 - H GLY 22 lone 8 99 - 7 - 2.3/57=1 Peak 4835 from nnoeabs.peaks (4.25, 8.00, 104.72 ppm; 3.47 A): 4 out of 8 assignments used, quality = 0.66: HA3 GLY 64 + H GLY 22 OK 44 100 - 44 - 1.8/5979=11, 4836/3.0=7...(12) HA VAL 68 + H GLY 22 OK 20 100 - 20 - 3.2/62=4, 4836/3.0=4...(7) HA LYS 63 + H GLY 22 OK 15 68 - 21 - 3.6/4847=6, 4.9/5979=5...(6) HA ALA 79 + H GLY 22 OK 11 76 - 14 - 3.0/1074=4, 2.1/6461=2...(7) HA3 GLY 85 - H GLY 22 poor 9 87 - 10 - 3.0/1126=3, 4798/4.6=2 HA ILE 37 - H GLY 22 lone 7 85 - 8 - 3.6/4841=2, 4836/3.0=2 HA LYS 45 - H GLY 22 lone 3 100 - 3 - HA GLU 58 - H GLY 22 lone 1 83 - 1 - Peak 4841 from nnoeabs.peaks (7.36, 8.00, 104.72 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.85: HD21 ASN 91 + H GLY 22 OK 73 100 - 73 - 6774/3.0=21, 1.7/6782=20...(8) QD PHE 97 + H GLY 22 OK 28 78 - 36 - 4845/3.0=7, 4843/3.0=6...(11) H GLY 38 + H GLY 22 OK 23 87 - 26 - 4843/3.0=6, 4845/3.0=5...(8) HZ2 TRP 82 - H GLY 22 lone 6 90 - 6 - 4845/3.0=2, 4843/3.0=2 Peak 4846 from nnoeabs.peaks (8.22, 8.00, 104.72 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.70: H GLY 20 + H GLY 22 OK 56 100 - 56 - 4.6/56=14, 4767=14...(11) H SER 29 + H GLY 22 OK 20 97 - 21 - 1081=2, 53/4.6=2...(10) H GLU 87 + H GLY 22 OK 15 71 - 22 - 401=4, 6693/4.6=4...(8) H ASP 12 - H GLY 22 lone 6 97 - 6 - Peak 4847 from nnoeabs.peaks (8.35, 8.00, 104.72 ppm; 4.74 A): 4 out of 4 assignments used, quality = 0.82: H GLY 64 + H GLY 22 OK 53 83 - 64 - 3.0/4835=17, 3.0/5979=15...(13) H LYS 94 + H GLY 22 OK 39 100 - 39 - 4.4/6801=8, 430/4.6=6...(12) H LYS 35 + H GLY 22 OK 27 100 - 27 - 124=5, 3.8/5243=4...(7) H ASN 52 + H GLY 22 OK 13 92 - 14 - 4782/62=2, 5770/4835=2...(5) Peak 4851 from nnoeabs.peaks (6.84, 8.11, 113.44 ppm; 5.23 A): 3 out of 3 assignments used, quality = 0.74: H VAL 25 + H GLU 23 OK 67 100 - 68 - 72/4.5=31, 4853/3.0=28...(6) QE TYR 54 + H GLU 23 OK 13 100 - 12 - 4853/3.0=5, 1076/4.5=4 HZ PHE 70 + H GLU 23 OK 10 83 - 12 - 4853/3.0=3, 1076/4.5=2 Peak 4859 from nnoeabs.peaks (0.80, 8.11, 113.44 ppm; 4.71 A): 5 out of 5 assignments used, quality = 0.90: QG1 VAL 25 + H GLU 23 OK 56 96 - 58 - 3.9/4851=18, 4863/3.0=12...(9) QG2 VAL 25 + H GLU 23 OK 52 93 - 56 - 3.9/4851=18, 2.1/660=9...(9) QG2 ILE 40 + H GLU 23 OK 36 96 - 37 - 4831/3.6=6, 4863/3.0=5...(11) QD1 ILE 93 + H GLU 23 OK 18 90 - 20 - 6806/4.6=5, 4831/3.6=4...(7) QG2 ILE 16 + H GLU 23 OK 12 68 - 18 - 3.1/4648=2, 4826/4.6=2...(9) Peak 4868 from nnoeabs.peaks (1.00, 8.39, 116.52 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.65: QD1 LEU 62 + H ASN 24 OK 58 100 - 58 - 4862/3.6=24, 5963/4.6=23...(7) HG12 ILE 51 + H ASN 24 OK 17 93 - 18 - 4893/4.6=4, 4862/3.6=2...(7) QG1 VAL 95 - H ASN 24 lone 6 76 - 7 - 4862/3.6=2, 6922/4.5=1 QG2 THR 55 - H ASN 24 lone 5 65 - 7 - 4893/4.6=4, 4902/4869=1 Peak 4869 from nnoeabs.peaks (0.80, 8.39, 116.52 ppm; 4.43 A): 4 out of 5 assignments used, quality = 0.81: QG1 VAL 25 + H ASN 24 OK 56 99 - 57 - 3.9/1076=27, 4887/2.9=19...(8) QG2 VAL 25 + H ASN 24 OK 42 87 - 49 - 3.9/1076=27, ~4887=12...(7) QG2 ILE 40 + H ASN 24 OK 19 90 - 21 - 4859/4.5=4, 4863/3.6=4...(6) QD1 ILE 93 + H ASN 24 OK 10 96 - 10 - 4863/3.6=2, 4859/4.5=2 QG2 ILE 16 - H ASN 24 lone 4 57 - 6 - 4623/4.6=2, 4859/4.5=2 Peak 4873 from nnoeabs.peaks (3.79, 8.39, 116.52 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.66: HA2 GLY 22 + H ASN 24 OK 60 92 - 66 - 3.6/1075=31, 1.8/4848=22...(8) HA ILE 40 + H ASN 24 OK 15 100 - 15 - 3.2/4869=5, 4856/4.1=4...(4) HA LYS 77 - H ASN 24 lone 8 100 - 8 - 4468/4.5=3, 4.8/6400=1 HA2 GLY 60 - H ASN 24 lone 4 73 - 6 - 4856/4.1=1, 4855/3.6=1 HD2 PRO 92 - H ASN 24 lone 4 100 - 4 - HB3 SER 11 - H ASN 24 lone 2 100 - 2 - HA SER 89 - H ASN 24 lone 2 97 - 2 - Peak 4891 from nnoeabs.peaks (1.26, 6.84, 118.19 ppm; 5.05 A): 3 out of 6 assignments used, quality = 0.82: QG2 THR 26 + H VAL 25 OK 71 100 - 72 - 4921/3.0=37, 1562/4.6=34...(5) QB ALA 98 + H VAL 25 OK 24 100 - 24 - 4896/3.0=7, 6989/4.6=6...(6) HG12 ILE 16 + H VAL 25 OK 17 63 - 26 - 2.1/4632=8, 3.2/4623=5...(7) HG3 LYS 35 - H VAL 25 lone 9 100 - 9 - 4896/3.0=2, 5442/5405=1 HG3 LYS 86 - H VAL 25 lone 6 96 - 6 - 678/4.6=1, 4896/3.0=1 HG13 ILE 39 - H VAL 25 lone 5 73 - 6 - 1990/4851=1, 4896/3.0=1 Peak 4892 from nnoeabs.peaks (1.16, 6.84, 118.19 ppm; 5.11 A): 5 out of 6 assignments used, quality = 0.90: HB3 LEU 21 + H VAL 25 OK 55 100 - 56 - 4901/3.9=17, 4895/3.0=14...(8) HB2 LEU 21 + H VAL 25 OK 55 100 - 55 - 4901/3.9=17, 4895/3.0=13...(8) HG13 ILE 27 + H VAL 25 OK 26 100 - 26 - 4976/5786=5, 4901/3.9=5...(7) HG13 ILE 37 + H VAL 25 OK 17 81 - 20 - 2.1/5308=7, 3.2/5301=4...(4) QG2 THR 15 + H VAL 25 OK 16 100 - 16 - 4895/3.0=3, 4901/3.9=2...(8) QG2 THR 46 - H VAL 25 lone 2 60 - 3 - Peak 4893 from nnoeabs.peaks (1.01, 6.84, 118.19 ppm; 3.49 A): 3 out of 3 assignments used, quality = 0.66: QD1 LEU 62 + H VAL 25 OK 57 95 - 61 - 5963=27, 4902/3.9=14...(14) HG12 ILE 51 + H VAL 25 OK 12 100 - 11 - 4902/3.9=4, 4868/4.6=2...(4) QG2 THR 55 + H VAL 25 OK 11 87 - 13 - 4902/3.9=4, 5870/3.9=2...(5) Peak 4916 from nnoeabs.peaks (8.24, 7.30, 111.48 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.82: H SER 29 + H THR 26 OK 81 99 - 82 - 5011=32, 4.0/4920=20...(12) H GLY 20 + H THR 26 OK 10 76 - 13 - 1136/4.6=2, 4919/4.0=2...(5) H ASP 12 - H THR 26 lone 8 99 - 8 - 1136/4.6=2, 4919/4.0=2 Peak 4917 from nnoeabs.peaks (7.99, 7.30, 111.48 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.83: H VAL 30 + H THR 26 OK 67 92 - 74 - 5055=29, 4.6/4920=18...(11) H PHE 34 + H THR 26 OK 23 100 - 23 - 5181/4.6=5, 4880/4.3=5...(8) H GLY 22 + H THR 26 OK 23 97 - 24 - 4880/4.3=8, 4826/4.3=6...(4) H LYS 63 + H THR 26 OK 14 97 - 15 - 4880/4.3=5, 286/4.3=3 H LYS 86 - H THR 26 poor 8 73 - 10 - 6658/4.3=3, 6658/4.3=1...(5) Peak 4920 from nnoeabs.peaks (4.02, 7.30, 111.48 ppm; 4.10 A): 1 out of 5 assignments used, quality = 0.70: HB2 SER 29 + H THR 26 OK 70 97 - 72 - 5017=28, 1.8/5019=23...(8) HB3 SER 89 - H THR 26 lone 8 83 - 10 - 5017=3, 4922/4.0=2...(5) HA SER 75 - H THR 26 lone 5 100 - 5 - 7067/4.3=1, 4922/4.0=1 HA ARG 57 - H THR 26 lone 3 100 - 2 - HA LYS 44 - H THR 26 lone 2 71 - 2 - Peak 4925 from nnoeabs.peaks (6.98, 7.30, 111.48 ppm; 4.54 A): 3 out of 7 assignments used, quality = 0.58: HZ PHE 88 + H THR 26 OK 33 100 - 33 - 4849/4920=7, 4878/4.3=6...(8) QE PHE 70 + H THR 26 OK 23 95 - 24 - 2.2/78=6, 4878/4.3=4...(5) QE PHE 83 + H THR 26 OK 19 100 - 19 - 4878/4.3=4, 4879/4.3=4...(6) HE22 GLN 48 - H THR 26 lone 7 100 - 6 - 580/4.0=1 HD21 ASN 24 - H THR 26 lone 4 93 - 4 - 4878/4.3=2 HD21 ASN 52 - H THR 26 lone 4 100 - 4 - HE22 GLN 19 - H THR 26 lone 2 63 - 3 - Peak 4955 from nnoeabs.peaks (0.78, 9.07, 122.12 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.86: QD1 LEU 53 + H ILE 27 OK 79 97 - 81 - 5791=35, 5810/3.0=19...(14) QG1 VAL 25 + H ILE 27 OK 32 95 - 34 - 4088/4.6=14, 4929/3.6=10...(5) QD1 ILE 93 - H ILE 27 lone 8 98 - 8 - 6853/5.0=2, 4929/3.6=1...(4) Peak 4956 from nnoeabs.peaks (0.64, 9.07, 122.12 ppm; 5.22 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4987 from nnoeabs.peaks (1.28, 8.80, 118.07 ppm; 3.84 A): 4 out of 6 assignments used, quality = 0.83: QG2 THR 26 + H GLU 28 OK 63 97 - 66 - 4918=26, 4.0/87=25...(6) HG12 ILE 16 + H GLU 28 OK 36 95 - 38 - 1303=10, 1.8/1310=7...(11) QB ALA 98 + H GLU 28 OK 17 97 - 17 - 6985=4, 4996/3.7=2...(7) HG3 LYS 86 + H GLU 28 OK 12 65 - 18 - 2.8/690=4, 2.8/688=4...(6) HG13 ILE 39 - H GLU 28 lone 10 98 - 10 - 4996/3.7=2, 2.1/90=2...(4) HG3 LYS 35 - H GLU 28 lone 4 97 - 4 - Peak 4988 from nnoeabs.peaks (1.48, 8.80, 118.07 ppm; 4.27 A): 4 out of 9 assignments used, quality = 0.94: QB ALA 31 + H GLU 28 OK 77 93 - 83 - 5079=24, 4414/2.9=23...(18) HB ILE 51 + H GLU 28 OK 44 83 - 54 - 5726/3.6=15, 5748/4.3=13...(15) HG2 LYS 44 + H GLU 28 OK 34 100 - 35 - 4413/2.9=5, 2.9/89=4...(14) QG2 THR 67 + H GLU 28 OK 24 71 - 34 - 6057=4, 3.2/6053=3...(16) HB2 LYS 41 - H GLU 28 OK 21 99 - 21 - 4413/2.9=3, 5466/5.1=3...(10) HG LEU 53 - H GLU 28 OK 19 78 - 24 - 5814/4.3=7, 4960/3.6=6...(6) HG2 LYS 86 - H GLU 28 OK 18 87 - 20 - 2.8/690=5, 2.8/688=4...(6) HG12 ILE 80 - H GLU 28 OK 15 71 - 21 - 4413/2.9=3, 4960/3.6=2...(11) HG2 LYS 94 - H GLU 28 lone 2 60 - 3 - Peak 5008 from nnoeabs.peaks (4.70, 8.80, 118.07 ppm; 3.13 A): 3 out of 5 assignments used, quality = 0.62: HA THR 26 + H GLU 28 OK 35 90 - 39 - 3.6/87=19, 3.2/4918=11...(6) HB THR 26 + H GLU 28 OK 31 87 - 36 - 4.4/87=14, 2.1/4918=14...(6) HA LEU 53 + H GLU 28 OK 16 100 - 16 - 4942/3.6=4, 4944/4.4=3...(6) HA SER 96 - H GLU 28 lone 6 100 - 6 - 4942/3.6=1, 4944/4.4=1 HA GLU 87 - H GLU 28 lone 5 100 - 5 - Peak 5009 from nnoeabs.peaks (4.70, 8.23, 115.72 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.75: HA THR 26 + H SER 29 OK 50 90 - 56 - 3.0/4916=23, 3.6/1139=22...(5) HB THR 26 + H SER 29 OK 44 86 - 52 - 2.1/4919=19, 4.4/1139=18...(5) HA LEU 53 + H SER 29 OK 13 100 - 13 - 5008/4.6=4, 84/1139=2...(4) HA SER 96 - H SER 29 lone 7 99 - 7 - 5008/4.6=2, 3.0/95=1 HA GLU 87 - H SER 29 lone 4 100 - 4 - 5008/4.6=1 Peak 5011 from nnoeabs.peaks (7.32, 8.23, 115.72 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.72: H THR 26 + H SER 29 OK 68 88 - 78 - 4916=30, 4.6/1139=17...(12) H GLY 38 + H SER 29 OK 11 86 - 12 - 5019/4.0=3, 5055/4.6=3...(5) QD PHE 97 - H SER 29 poor 9 92 - 10 - 5055/4.6=3, 5019/4.0=3 HZ2 TRP 82 - H SER 29 lone 2 82 - 3 - Peak 5021 from nnoeabs.peaks (1.46, 8.23, 115.72 ppm; 4.78 A): 4 out of 7 assignments used, quality = 0.95: QB ALA 31 + H SER 29 OK 83 100 - 83 - 2.9/1146=25, 4414/3.6=25...(19) HB ILE 51 + H SER 29 OK 43 99 - 44 - 5726/1138=8, 4413/3.6=7...(14) QG2 THR 67 + H SER 29 OK 26 96 - 27 - 6057/4.6=5, 4413/3.6=4...(9) HB2 LYS 41 + H SER 29 OK 26 99 - 26 - 5036/4.6=3, 4413/3.6=3...(11) HG2 LYS 44 - H SER 29 OK 23 97 - 24 - 4413/3.6=6, 4988/4.6=3...(8) HG12 ILE 80 - H SER 29 OK 23 96 - 23 - 4325/4.6=5, 4413/3.6=3...(7) HG3 LYS 94 - H SER 29 lone 3 77 - 3 - Peak 5022 from nnoeabs.peaks (1.27, 8.23, 115.72 ppm; 4.16 A): 5 out of 6 assignments used, quality = 0.89: QG2 THR 26 + H SER 29 OK 78 100 - 78 - 4919=23, 4.0/1139=21...(9) HG3 LYS 86 + H SER 29 OK 18 86 - 20 - 2.8/96=4, 2.8/98=4...(7) HG13 ILE 39 + H SER 29 OK 16 86 - 18 - 3.8/695=3, 2.1/5023=3...(7) QB ALA 98 + H SER 29 OK 16 100 - 16 - 6985/4.6=3, 4996/4.4=2...(6) HG12 ILE 16 + H SER 29 OK 15 77 - 19 - 4987/4.6=5, 4996/4.4=3...(6) HG3 LYS 35 - H SER 29 lone 6 100 - 6 - 5034/4.0=1 Peak 5023 from nnoeabs.peaks (0.94, 8.23, 115.72 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.96: QG2 ILE 27 + H SER 29 OK 86 98 - 88 - 4.0/1139=27, 3.2/1138=27...(16) QD1 ILE 27 + H SER 29 OK 73 95 - 77 - 4.2/1138=23, 5.0/1139=22...(13) QD1 ILE 39 - H SER 29 OK 18 75 - 23 - 2.1/5022=5, 4.1/695=3...(8) QB ALA 66 - H SER 29 OK 18 73 - 24 - 5039/4.6=5, 6039/1138=4...(9) Peak 5024 from nnoeabs.peaks (0.85, 8.23, 115.72 ppm; 3.79 A): 7 out of 9 assignments used, quality = 0.90: QG2 VAL 30 + H SER 29 OK 58 99 - 58 - 3.9/100=19, 4.2/1146=12...(12) QG1 VAL 30 + H SER 29 OK 51 96 - 53 - 3.9/100=19, 4.2/1146=12...(10) QD1 ILE 51 + H SER 29 OK 22 82 - 27 - 5724/3.6=5, 5710/4.6=5...(7) QG2 ILE 80 + H SER 29 OK 14 98 - 14 - 4324/4.6=3, 3.2/5021=2...(5) QG2 ILE 16 + H SER 29 OK 13 77 - 16 - 4.0/94=3, 3.2/5022=2...(7) QG2 THR 42 + H SER 29 OK 12 75 - 15 - 5498/3.6=5, 4.2/94=3...(5) QG2 ILE 37 + H SER 29 OK 11 100 - 10 - 5288/4.0=2, 4.4/5011=2 QD2 LEU 62 - H SER 29 lone 8 92 - 8 - 5073=1, 699/4.6=1 QG1 VAL 18 - H SER 29 lone 7 86 - 8 - 4.1/1140=3 Peak 5036 from nnoeabs.peaks (1.47, 7.97, 124.77 ppm; 3.85 A): 4 out of 8 assignments used, quality = 0.93: QB ALA 31 + H VAL 30 OK 76 99 - 77 - 2.9/1082=23, 3.5/1144=15...(20) HB ILE 51 + H VAL 30 OK 45 93 - 48 - 2.1/5037=13, 3.2/5710=8...(17) HG12 ILE 80 + H VAL 30 OK 29 85 - 34 - 2.1/4327=5, ~5105=5...(11) HB2 LYS 41 + H VAL 30 OK 27 100 - 27 - ~7084=4, 2056/4.6=4...(10) HG LEU 53 - H VAL 30 OK 19 63 - 30 - 2.1/5038=24, 7095/5704=2 QG2 THR 67 - H VAL 30 OK 14 85 - 17 - 5021/4.6=2, 6110/5103=2...(8) HG2 LYS 44 - H VAL 30 OK 13 100 - 13 - 4.9/1144=2, 3.7/1141=2 HG2 LYS 86 - H VAL 30 lone 2 73 - 3 - Peak 5037 from nnoeabs.peaks (0.73, 7.97, 124.77 ppm; 4.04 A): 3 out of 3 assignments used, quality = 0.86: QG2 ILE 51 + H VAL 30 OK 57 89 - 65 - 5704=12, 5051/3.9=10...(15) QD1 ILE 40 + H VAL 30 OK 52 93 - 56 - 5082/4.6=11, 5051/3.9=7...(22) QG2 ILE 93 + H VAL 30 OK 34 93 - 36 - 5051/3.9=7, 5043/4.0=6...(13) Peak 5038 from nnoeabs.peaks (0.62, 7.97, 124.77 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 53 + H VAL 30 OK 76 98 - 77 - 5052/3.9=23, 5782=21...(17) Peak 5039 from nnoeabs.peaks (0.95, 7.97, 124.77 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.88: QD1 ILE 27 + H VAL 30 OK 59 100 - 59 - 4.2/1143=21, 2.8/4932=12...(14) QG2 ILE 27 + H VAL 30 OK 47 73 - 64 - 3.2/1143=26, 4.3/1142=15...(12) QB ALA 66 + H VAL 30 OK 35 99 - 35 - 6028/5038=10...(10) QG1 VAL 95 + H VAL 30 OK 16 63 - 25 - 4904/3.9=3, 6028/5038=3...(9) Peak 5054 from nnoeabs.peaks (6.97, 7.97, 124.77 ppm; 4.38 A): 4 out of 8 assignments used, quality = 0.93: HZ PHE 88 + H VAL 30 OK 67 95 - 71 - 4850/3.0=22, 4849/4.6=13...(14) QE PHE 88 + H VAL 30 OK 57 87 - 65 - 4743/3.0=16, ~4850=14...(17) QE PHE 70 + H VAL 30 OK 30 100 - 30 - 5059/3.0=5, 5064/3.9=4...(11) QE PHE 83 + H VAL 30 OK 30 89 - 33 - 5059/3.0=5, ~4424=4...(10) HZ PHE 83 - H VAL 30 OK 21 85 - 25 - 5059/3.0=5, 5064/3.9=4...(7) HE22 GLN 48 - H VAL 30 OK 10 96 - 10 - 4.6/698=2, 5018/4.6=1 HD21 ASN 52 - H VAL 30 lone 5 85 - 6 - HD21 ASN 24 - H VAL 30 lone 2 63 - 3 - Peak 5055 from nnoeabs.peaks (7.31, 7.97, 124.77 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.75: H THR 26 + H VAL 30 OK 66 97 - 68 - 4917=20, 4920/4.6=17...(11) QD PHE 97 + H VAL 30 OK 15 81 - 18 - 5065/3.9=5, 5019/4.6=3...(7) H GLY 38 + H VAL 30 OK 13 71 - 18 - 5019/4.6=3, 5065/3.9=3...(7) HZ2 TRP 82 - H VAL 30 lone 5 65 - 7 - 6.5/6558=2, 6.5/6562=1 Peak 5082 from nnoeabs.peaks (0.74, 8.70, 123.11 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.94: QD1 ILE 40 + H ALA 31 OK 87 95 - 92 - 5089/3.0=28, 5091/2.9=26...(33) QG2 ILE 51 + H ALA 31 OK 55 87 - 64 - 3.2/5708=15, 5707=10...(15) QG2 ILE 93 - H ALA 31 OK 29 92 - 32 - 5051/4.2=5, 5043/4.4=4...(10) Peak 5083 from nnoeabs.peaks (0.95, 8.70, 123.11 ppm; 4.03 A): 4 out of 4 assignments used, quality = 0.88: QD1 ILE 27 + H ALA 31 OK 65 100 - 66 - 4.2/1148=17, 2.8/4930=15...(20) QG2 ILE 27 + H ALA 31 OK 51 73 - 70 - 3.2/1148=22, 7178/2.9=15...(19) QB ALA 66 + H ALA 31 OK 21 99 - 22 - 6039/1148=4, 5039/4.6=4...(6) QG1 VAL 95 + H ALA 31 OK 11 63 - 17 - 2.1/6929=3, 4904/4.2=2...(7) Peak 5084 from nnoeabs.peaks (1.99, 8.70, 123.11 ppm; 4.66 A): 4 out of 9 assignments used, quality = 0.94: HG2 PRO 49 + H ALA 31 OK 72 90 - 80 - ~5093=18, ~5095=17...(22) HB3 GLU 28 + H ALA 31 OK 67 98 - 69 - 3.0/4412=27, 4.4/1146=18...(13) HB VAL 25 + H ALA 31 OK 22 99 - 22 - 7153/4.6=4, 5045/4.2=3...(9) HG2 GLN 19 + H ALA 31 OK 12 96 - 12 - 1416=3, 1.8/1424=2...(4) HG3 PRO 74 - H ALA 31 lone 9 100 - 8 - 4.6/1145=1, 5114/4.6=1 HB2 GLU 65 - H ALA 31 lone 8 97 - 8 - 3.0/106=2, 5114/4.6=1 HB3 GLN 36 - H ALA 31 poor 8 63 - 12 - 4.0/1149=5, 5114/4.6=2...(4) HB2 LYS 77 - H ALA 31 lone 7 98 - 7 - HB2 GLU 23 - H ALA 31 lone 4 87 - 5 - Peak 5085 from nnoeabs.peaks (2.77, 8.70, 123.11 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.95: HB2 ASP 32 + H ALA 31 OK 74 92 - 81 - 3.9/1083=26, 5137=24...(13) HB3 PHE 34 + H ALA 31 OK 70 100 - 71 - 4435/3.0=15, 4.1/5180=13...(16) HB3 PHE 70 + H ALA 31 OK 36 98 - 37 - 4434/3.0=6, ~6224=4...(15) HB3 ASP 84 - H ALA 31 OK 16 99 - 16 - 4434/3.0=3, 4.0/104=2...(6) Peak 5103 from nnoeabs.peaks (0.29, 7.97, 124.77 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 21 + H VAL 30 OK 78 99 - 79 - 5104/3.0=17, 5107/3.9=17...(24) QG2 VAL 68 + H VAL 30 OK 64 99 - 65 - 5104/3.0=13, 5107/3.9=13...(17) Peak 5113 from nnoeabs.peaks (2.20, 8.31, 115.33 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.91: HB VAL 30 + H ASP 32 OK 73 96 - 77 - 4.4/1083=25, 4.0/1144=20...(14) HB2 PRO 49 + H ASP 32 OK 65 90 - 72 - ~5093=18, 5097/3.5=18...(16) HB3 GLN 48 - H ASP 32 lone 9 98 - 10 - 5097/3.5=2, 106/4.6=2 HG2 GLU 65 - H ASP 32 lone 9 96 - 9 - 4.8/298=1, 5086/3.6=1...(5) HG3 GLU 87 - H ASP 32 lone 5 99 - 5 - 5086/3.6=1 HB2 PHE 88 - H ASP 32 lone 4 65 - 6 - 106/4.6=1, 698/1144=1 Peak 5114 from nnoeabs.peaks (1.99, 8.31, 115.33 ppm; 4.99 A): 5 out of 9 assignments used, quality = 0.93: HG2 PRO 49 + H ASP 32 OK 73 97 - 76 - ~5093=18, ~5095=17...(15) HB3 GLU 28 + H ASP 32 OK 58 93 - 62 - 3.0/4415=25, ~4414=13...(11) HB VAL 25 + H ASP 32 OK 19 100 - 19 - 2.1/4881=5, 5084/4.6=3...(6) HB3 GLN 36 + H ASP 32 OK 15 76 - 20 - 4.0/1084=7, 1890/4.6=6...(4) HG3 PRO 74 + H ASP 32 OK 12 99 - 12 - 4.6/1152=4, ~6340=2...(4) HB2 GLU 65 - H ASP 32 lone 9 92 - 10 - 3.0/5113=2, 3.7/298=2 HG2 GLN 19 - H ASP 32 lone 8 89 - 9 - 1416/4.6=2, 5.2/109=2 HB2 LYS 77 - H ASP 32 lone 6 93 - 7 - HB2 GLU 23 - H ASP 32 lone 4 95 - 5 - Peak 5115 from nnoeabs.peaks (1.74, 8.31, 115.33 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.92: HD2 LYS 35 + H ASP 32 OK 69 100 - 69 - 5239/3.0=19, ~5240=12...(16) HG2 LYS 35 + H ASP 32 OK 61 83 - 74 - 5236/3.0=16, ~5121=12...(19) HB ILE 80 + H ASP 32 OK 31 78 - 40 - 5123/3.9=8, 5126/3.9=8...(11) HB2 LEU 53 - H ASP 32 poor 9 78 - 11 - 3.1/5117=5, ~5091=2 HB3 GLN 19 - H ASP 32 lone 6 89 - 7 - 4.0/109=2, 3.0/5114=1 Peak 5116 from nnoeabs.peaks (0.86, 8.31, 115.33 ppm; 3.99 A): 4 out of 9 assignments used, quality = 0.94: QG2 VAL 30 + H ASP 32 OK 65 92 - 71 - 4.2/1083=20, 3.9/1144=15...(17) QG1 VAL 30 + H ASP 32 OK 55 81 - 68 - 4.2/1083=20, 3.9/1144=15...(17) QD1 ILE 51 + H ASP 32 OK 50 97 - 52 - 5723/3.6=23, 5708/4.6=11...(13) QG2 ILE 80 + H ASP 32 OK 30 87 - 35 - 7125/3.0=8, 2.1/5115=5...(12) QG2 THR 42 - H ASP 32 OK 30 95 - 32 - 3.2/1152=10, 5492/3.5=5...(9) QG2 ILE 39 - H ASP 32 OK 17 73 - 24 - 3.8/109=6, 5088/3.6=5...(7) QG2 ILE 37 - H ASP 32 OK 13 95 - 13 - 5164/4.6=2, 5290/3.0=2...(4) QG1 VAL 18 - H ASP 32 OK 11 99 - 11 - 4061/4.6=2, 5088/3.6=2...(4) QD2 LEU 62 - H ASP 32 poor 8 73 - 11 - 4.0/1152=1 Peak 5117 from nnoeabs.peaks (0.76, 8.31, 115.33 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.82: QD1 ILE 40 + H ASP 32 OK 78 93 - 84 - 5089/3.6=31, 5091/3.5=30...(20) QD1 LEU 53 + H ASP 32 OK 17 99 - 18 - 5091/3.5=4, 5089/3.6=3...(5) QG1 VAL 25 - H ASP 32 poor 8 60 - 14 - 2.1/5114=3, 4881=3...(5) QD1 ILE 93 - H ASP 32 lone 6 71 - 9 - 6807/4.6=2, ~5091=2 Peak 5139 from nnoeabs.peaks (6.95, 7.53, 119.11 ppm; 4.30 A): 4 out of 5 assignments used, quality = 0.89: QE PHE 88 + H TYR 33 OK 63 100 - 63 - 4745/4.0=19, 4811/4.5=16...(10) HZ PHE 83 + H TYR 33 OK 44 99 - 44 - 4841/6.5=8, 5142/4.0=8...(12) QE PHE 70 + H TYR 33 OK 30 93 - 33 - 4745/4.0=5, 7129/4.5=5...(12) HZ PHE 88 + H TYR 33 OK 24 68 - 35 - 5145/4.0=7, 5140/3.0=6...(8) HE22 GLN 48 - H TYR 33 lone 6 71 - 9 - 5140/3.0=1, ~5166=1 Peak 5163 from nnoeabs.peaks (1.46, 7.53, 119.11 ppm; 4.55 A): 5 out of 10 assignments used, quality = 0.94: QB ALA 31 + H TYR 33 OK 88 100 - 88 - 5078=34, 3.5/1084=30...(13) HG12 ILE 80 + H TYR 33 OK 23 98 - 23 - 5124/4.5=5, 5127/4.5=4...(6) HB ILE 51 + H TYR 33 OK 20 100 - 20 - 111/4.6=3, 5191/4.6=3...(8) HB2 LYS 41 + H TYR 33 OK 14 99 - 14 - 111/4.6=2, 4.0/1156=1...(5) QG2 THR 67 + H TYR 33 OK 10 98 - 10 - 5191/4.6=2, 6088/4.0=1 HG2 LYS 44 - H TYR 33 lone 9 97 - 9 - 4.9/112=2, 111/4.6=2 HG13 ILE 51 - H TYR 33 poor 6 63 - 10 - 2.1/5164=3, 5191/4.6=2...(5) HG2 LYS 63 - H TYR 33 lone 5 63 - 8 - 4.9/1085=2, 5191/4.6=1 HG3 LYS 63 - H TYR 33 lone 5 63 - 8 - 4.9/1085=2, 5191/4.6=1 HG3 LYS 94 - H TYR 33 lone 5 83 - 5 - 5191/4.6=1 Peak 5164 from nnoeabs.peaks (0.85, 7.53, 119.11 ppm; 4.37 A): 3 out of 9 assignments used, quality = 0.95: QG2 VAL 30 + H TYR 33 OK 72 100 - 72 - 3.2/4424=21, 4.2/1149=15...(19) QG1 VAL 30 + H TYR 33 OK 70 99 - 71 - 3.2/4424=21, 4.2/1149=15...(17) QG2 ILE 37 + H TYR 33 OK 38 100 - 38 - 2.1/5313=8, 4.4/5331=4...(15) QG2 ILE 80 - H TYR 33 OK 35 100 - 35 - 7125/3.6=9, 6518/4.5=6...(12) QD1 ILE 51 - H TYR 33 OK 23 76 - 30 - 5723/4430=4, 5116/4.6=4...(11) QD2 LEU 62 - H TYR 33 OK 17 97 - 18 - 4258/4.6=3, 4.0/1158=1...(5) QG2 THR 42 - H TYR 33 OK 17 68 - 25 - 3.2/4422=10, 2.1/1157=6...(6) QG2 ILE 16 - H TYR 33 OK 15 85 - 18 - 4682/4676=1, 5192/4.6=1...(7) QG1 VAL 18 - H TYR 33 OK 13 81 - 16 - 4696/6.5=4, 4690/4678=2...(4) Peak 5171 from nnoeabs.peaks (6.97, 7.99, 112.45 ppm; 4.30 A): 5 out of 8 assignments used, quality = 0.96: QE PHE 70 + H PHE 34 OK 60 100 - 60 - 5172/3.0=15, ~5182=13...(15) QE PHE 83 + H PHE 34 OK 55 96 - 58 - 5172/3.0=13, ~4804=12...(13) HZ PHE 88 + H PHE 34 OK 42 99 - 43 - 5145/4.3=7, 4865=6...(12) QE PHE 88 + H PHE 34 OK 42 76 - 55 - 4745/4.3=12, 4811/4.6=11...(13) HZ PHE 83 + H PHE 34 OK 40 73 - 54 - 4804/3.0=14, ~5172=8...(13) HD21 ASN 52 - H PHE 34 OK 13 93 - 13 - 4.3/5183=3, 5.5/1086=2...(4) HE22 GLN 48 - H PHE 34 OK 11 99 - 10 - 5172/3.0=1 HD21 ASN 24 - H PHE 34 lone 4 76 - 5 - 4.4/5183=2 Peak 5180 from nnoeabs.peaks (8.71, 7.99, 112.45 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.91: H ALA 31 + H PHE 34 OK 80 100 - 81 - 3.0/1162=25, 1149/4.6=17...(20) H ILE 40 + H PHE 34 OK 35 100 - 35 - 4.7/5193=21, 1156/4.6=6...(6) H GLN 19 + H PHE 34 OK 25 92 - 27 - 4.6/4767=4, 4.0/5190=3...(10) Peak 5181 from nnoeabs.peaks (6.86, 7.99, 112.45 ppm; 4.47 A): 3 out of 3 assignments used, quality = 0.85: QE PHE 34 + H PHE 34 OK 75 83 - 91 - 2.2/723=36, 6.5=32...(17) H VAL 25 + H PHE 34 OK 30 89 - 33 - 3.9/4880=5, 5182/3.0=5...(13) QE TYR 54 + H PHE 34 OK 16 97 - 16 - 7179/4.3=2, 5182/3.0=2...(5) Peak 5183 from nnoeabs.peaks (4.92, 7.99, 112.45 ppm; 4.77 A): 2 out of 4 assignments used, quality = 0.69: HA LYS 35 + H PHE 34 OK 65 100 - 66 - 3.0/1086=27, 3.0/5189=21...(6) HA ASN 52 + H PHE 34 OK 10 90 - 11 - 2.9/1086=4, 4.3/5171=1 HA ASN 24 - H PHE 34 poor 8 65 - 13 - 3.6/5181=8, 4887/4880=2 HA ASN 14 - H PHE 34 lone 3 81 - 3 - Peak 5189 from nnoeabs.peaks (2.04, 7.99, 112.45 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.79: HB2 LYS 35 + H PHE 34 OK 76 100 - 77 - 726/4.6=30, 3.0/5183=26...(9) HB2 LYS 86 + H PHE 34 OK 12 76 - 15 - 2.8/3592=2, 2.8/3582=2...(6) HB3 MET 50 - H PHE 34 poor 9 87 - 10 - 5444/5193=2, 5679/1163=2 QE MET 50 - H PHE 34 lone 8 93 - 8 - 5691/1163=2, 5444/5193=1 HB3 GLU 23 - H PHE 34 lone 6 93 - 6 - 4.0/63=2, 5444/5193=1 HG2 PRO 92 - H PHE 34 lone 4 83 - 5 - Peak 5190 from nnoeabs.peaks (1.75, 7.99, 112.45 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.88: HG2 LYS 35 + H PHE 34 OK 68 99 - 69 - 3.9/5183=24, 3.0/5189=24...(9) HD2 LYS 35 + H PHE 34 OK 53 95 - 56 - 3.6/5189=22, 5.1/5183=19...(9) HB3 GLN 19 + H PHE 34 OK 19 100 - 19 - 4.0/5180=6, 4.6/4767=5...(4) Peak 5191 from nnoeabs.peaks (1.46, 7.99, 112.45 ppm; 4.81 A): 3 out of 10 assignments used, quality = 0.93: QB ALA 31 + H PHE 34 OK 86 99 - 87 - 2.1/1162=29, 4.8/1160=21...(18) HB ILE 51 + H PHE 34 OK 36 100 - 36 - 5750/5224=10, 3.2/5710=5...(11) HG12 ILE 80 + H PHE 34 OK 26 100 - 26 - 3.8/718=5, 3.2/5192=4...(6) QG2 THR 67 - H PHE 34 OK 20 100 - 20 - 6110/5223=4, 6137/5224=2...(8) HG13 ILE 51 - H PHE 34 OK 18 76 - 24 - 5758/5224=8, 2.1/5710=6...(6) HG3 LYS 63 - H PHE 34 OK 17 76 - 22 - 2.9/2896=5, 2.9/2906=4...(5) HG2 LYS 63 - H PHE 34 OK 17 76 - 22 - 2.9/2896=5, 2.9/2906=4...(5) HG3 LYS 94 - H PHE 34 OK 13 92 - 14 - 4.9/1086=4, 3884/4.6=3 HB2 LYS 41 - H PHE 34 OK 12 95 - 13 - 5440/5193=2, 5163/4.6=2 HG2 LYS 44 - H PHE 34 lone 6 90 - 7 - 5163/4.6=1 Peak 5192 from nnoeabs.peaks (0.85, 7.99, 112.45 ppm; 3.85 A): 4 out of 9 assignments used, quality = 0.96: QG2 VAL 30 + H PHE 34 OK 69 99 - 70 - 3.2/1163=11, 4.2/5180=9...(27) QG1 VAL 30 + H PHE 34 OK 68 96 - 71 - 5070/4.5=12, 3.2/1163=11...(22) QD1 ILE 51 + H PHE 34 OK 39 85 - 46 - 5712/4.5=8, 5761/5224=7...(16) QG2 ILE 80 + H PHE 34 OK 36 98 - 37 - 7125/3.0=6, 6518/4.1=6...(14) QD2 LEU 62 - H PHE 34 OK 34 92 - 37 - 4258=5, 2.1/4259=5...(14) QG2 ILE 37 - H PHE 34 OK 33 100 - 33 - 5302/4.5=5, 5194/3.0=4...(12) QG1 VAL 18 - H PHE 34 OK 22 89 - 25 - 4690/6.5=4, 4.1/5180=3...(10) QG2 ILE 16 - H PHE 34 OK 19 76 - 25 - 4682/4.5=3, 5201/4.1=3...(6) QG2 THR 42 - H PHE 34 poor 8 78 - 10 - 5499/3.6=3, 2.1/1163=2 Peak 5193 from nnoeabs.peaks (0.75, 7.99, 112.45 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 40 + H PHE 34 OK 78 100 - 78 - 5399=16, 5202/4.1=14...(20) QD1 LEU 53 + H PHE 34 OK 32 92 - 34 - 5195/3.0=5, 5226/4.6=4...(15) Peak 5223 from nnoeabs.peaks (0.30, 7.99, 112.45 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.91: QG2 VAL 68 + H PHE 34 OK 80 100 - 80 - 2.1/5224=39, 6152/4.5=24...(16) QD1 LEU 21 + H PHE 34 OK 56 85 - 66 - 5215/4.5=9, 4075=9...(24) Peak 5224 from nnoeabs.peaks (0.00, 7.99, 112.45 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.85: QG1 VAL 68 + H PHE 34 OK 85 99 - 85 - 5220/4.1=31, 5218/4.1=31...(14) Peak 5225 from nnoeabs.peaks (0.85, 8.35, 118.82 ppm; 4.68 A): 5 out of 9 assignments used, quality = 0.96: QG2 ILE 37 + H LYS 35 OK 53 100 - 53 - 4.0/5242=21, 3.2/1165=9...(10) QG2 VAL 30 + H LYS 35 OK 50 99 - 51 - 5066/4.3=12, 1660/4.6=7...(14) QG1 VAL 30 + H LYS 35 OK 47 96 - 50 - 5070/4.3=18, 3.9/124=6...(12) QD1 ILE 51 + H LYS 35 OK 45 85 - 54 - 5712/4.3=12, 7035=10...(17) QD2 LEU 62 + H LYS 35 OK 43 92 - 47 - 5967=7, 3.1/5965=7...(16) QG2 ILE 80 - H LYS 35 OK 36 98 - 37 - 6518/4.2=8, 7125/3.5=7...(9) QG1 VAL 18 - H LYS 35 OK 22 89 - 25 - 4688=7, 4.1/4745=3...(11) QG2 ILE 16 - H LYS 35 OK 18 76 - 24 - 4682/4.3=5, 5201/4.2=4...(7) QG2 THR 42 - H LYS 35 lone 6 78 - 7 - Peak 5226 from nnoeabs.peaks (0.75, 8.35, 118.82 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.90: QD1 ILE 40 + H LYS 35 OK 81 100 - 82 - 5430/3.0=23, 5398=18...(18) QD1 LEU 53 + H LYS 35 OK 31 83 - 37 - 5193/4.6=4, 5227/3.0=4...(17) QG2 ILE 93 + H LYS 35 OK 25 63 - 40 - 4378=5, 2.1/4377=5...(14) Peak 5242 from nnoeabs.peaks (7.82, 8.35, 118.82 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.87: H ILE 37 + H LYS 35 OK 83 100 - 83 - 5293/3.0=32, 5317=31...(9) H THR 99 + H LYS 35 OK 21 100 - 20 - 1088/4.6=6, 5179/3.5=4...(6) Peak 5245 from nnoeabs.peaks (0.85, 7.50, 116.16 ppm; 4.57 A): 8 out of 9 assignments used, quality = 0.95: QG2 ILE 37 + H GLN 36 OK 70 100 - 70 - 4.0/142=32, 4.4/5256=19...(8) QG2 VAL 30 + H GLN 36 OK 34 99 - 34 - 3.9/1170=5, 5049/2.9=4...(12) QD2 LEU 62 + H GLN 36 OK 33 90 - 37 - 5248/2.9=5, ~4862=4...(13) QG1 VAL 30 + H GLN 36 OK 30 95 - 32 - 3.9/1170=5, 3.2/4424=4...(12) QG2 ILE 80 + H GLN 36 OK 20 97 - 21 - 745/4.6=3, 5225/4.6=3...(10) QD1 ILE 51 + H GLN 36 OK 14 87 - 16 - 7035/4.6=5, 5723/4430=1 QG2 ILE 16 + H GLN 36 OK 12 73 - 16 - 745/4.6=3, 2.1/5313=2...(7) QG1 VAL 18 + H GLN 36 OK 10 90 - 11 - 4688/4.6=3, 4688/132=1 QG2 THR 42 - H GLN 36 lone 5 81 - 6 - Peak 5253 from nnoeabs.peaks (6.97, 7.50, 116.16 ppm; 4.24 A): 6 out of 8 assignments used, quality = 0.81: QE PHE 83 + H GLN 36 OK 31 92 - 34 - 5294/4.6=6, 5257/4.0=5...(12) HZ PHE 83 + H GLN 36 OK 30 81 - 38 - 4807/4.0=10, 4806/4.0=8...(8) HZ PHE 88 + H GLN 36 OK 25 97 - 26 - 5294/4.6=4, 5257/4.0=3...(7) QE PHE 70 + H GLN 36 OK 24 100 - 24 - 5294/4.6=4, 5258/4.0=3...(8) QE PHE 88 + H GLN 36 OK 17 83 - 20 - 5258/4.0=3, 5257/4.0=3...(7) HE22 GLN 48 + H GLN 36 OK 16 97 - 16 - 5294/4.6=3, 3.5/738=2...(6) HD21 ASN 52 - H GLN 36 poor 10 89 - 11 - 5294/4.6=2, 515/4.6=1...(4) HD21 ASN 24 - H GLN 36 lone 4 68 - 6 - 1.7/741=1 Peak 5256 from nnoeabs.peaks (7.35, 7.50, 116.16 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.72: H GLY 38 + H GLN 36 OK 68 97 - 71 - 4.6/142=24, 5331=22...(7) QD PHE 97 + H GLN 36 OK 12 92 - 13 - 5255/2.9=5, 1089/4.6=3...(4) HZ2 TRP 82 - H GLN 36 lone 8 98 - 9 - 1089/4.6=4, 5255/2.9=3 HD21 ASN 91 - H GLN 36 lone 6 97 - 6 - 5255/2.9=3, ~6768=1 Peak 5263 from nnoeabs.peaks (4.22, 6.78, 111.84 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.79: HA TYR 33 + HE21 GLN 36 OK 53 89 - 60 - 5153/1.7=31, 5166/3.5=20...(6) HA ILE 37 + HE21 GLN 36 OK 44 99 - 45 - 5264/1.7=13, 5250/3.5=13...(5) HB THR 99 + HE21 GLN 36 OK 23 92 - 24 - 5264/1.7=7, 5251/3.5=6...(6) HA3 GLY 64 - HE21 GLN 36 lone 3 78 - 4 - 7036/4.6=1 HA LYS 45 - HE21 GLN 36 lone 1 68 - 2 - HA VAL 68 - HE21 GLN 36 lone 1 63 - 2 - Peak 5264 from nnoeabs.peaks (4.22, 7.63, 111.84 ppm; 4.30 A): 3 out of 6 assignments used, quality = 0.83: HA TYR 33 + HE22 GLN 36 OK 64 89 - 72 - 5153=32, 3.7/7173=22...(8) HA ILE 37 + HE22 GLN 36 OK 40 99 - 40 - 5263/1.7=12, 5250/3.5=11...(5) HB THR 99 + HE22 GLN 36 OK 20 92 - 22 - 5263/1.7=6, 5251/3.5=5...(6) HA3 GLY 64 - HE22 GLN 36 lone 3 78 - 4 - HA LYS 45 - HE22 GLN 36 lone 1 68 - 2 - HA VAL 68 - HE22 GLN 36 lone 1 63 - 2 - Peak 5266 from nnoeabs.peaks (1.67, 7.81, 116.34 ppm; 4.58 A): 12 out of 18 assignments used, quality = 0.93: QB ALA 79 + H ILE 37 OK 55 100 - 55 - 6491/4.5=18, 6472/3.9=12...(8) HD3 LYS 35 + H ILE 37 OK 39 90 - 43 - 5.1/5293=19, 4134/4.6=12...(4) HD2 LYS 61 + H ILE 37 OK 19 96 - 20 - 5269/4.0=2, 5270/4.6=2...(8) HD3 LYS 61 + H ILE 37 OK 19 96 - 20 - 5269/4.0=2, 5270/4.6=2...(8) HB ILE 40 + H ILE 37 OK 14 95 - 15 - 1791/5293=3, 5336/4.6=2...(9) HB2 MET 50 + H ILE 37 OK 13 85 - 16 - 5662/4.6=3, 1.8/145=2...(8) HB3 LYS 61 + H ILE 37 OK 13 97 - 13 - 3.0/5292=3, 1.8/744=2...(4) HD2 LYS 44 + H ILE 37 OK 11 96 - 11 - 5336/4.6=1 HD2 LYS 94 + H ILE 37 OK 10 99 - 11 - 6.1/5317=3, 5270/4.6=1 HD3 LYS 94 + H ILE 37 OK 10 99 - 11 - 6.1/5317=3, 5270/4.6=1 HD3 LYS 44 + H ILE 37 OK 10 95 - 11 - 5336/4.6=1 HG12 ILE 39 + H ILE 37 OK 10 76 - 13 - 5336/4.6=4, 5370/5333=3 HG12 ILE 27 - H ILE 37 lone 8 97 - 8 - 1.8/747=1, 5271/4.6=1 HG12 ILE 40 - H ILE 37 poor 6 60 - 10 - 5420/5293=4, 5271/4.6=2 HG3 ARG 57 - H ILE 37 lone 6 97 - 6 - 5272/4.5=1 HG2 ARG 57 - H ILE 37 lone 6 95 - 6 - HD3 LYS 63 - H ILE 37 lone 6 96 - 6 - HG3 GLN 19 - H ILE 37 lone 4 78 - 5 - 3.0/144=2 Peak 5292 from nnoeabs.peaks (4.34, 7.81, 116.34 ppm; 4.22 A): 1 out of 7 assignments used, quality = 0.53: HA PHE 34 + H ILE 37 OK 53 99 - 53 - 5179=30, 3.5/5242=19...(7) HA ASP 81 - H ILE 37 poor 10 71 - 14 - 7156/4.6=5, 7079/4.5=4 HA TRP 82 - H ILE 37 poor 9 73 - 13 - 6580/4.5=9, 7.7/1089=1 HA LYS 61 - H ILE 37 lone 8 93 - 8 - 3.0/744=2, 4.8/5266=1...(4) HB THR 59 - H ILE 37 lone 7 92 - 7 - 7156/4.6=2, 3.0/5923=2 HA LEU 62 - H ILE 37 lone 3 71 - 5 - 4.0/745=2 HA SER 11 - H ILE 37 lone 1 83 - 1 - Peak 5293 from nnoeabs.peaks (4.91, 7.81, 116.34 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.58: HA LYS 35 + H ILE 37 OK 58 100 - 58 - 3.6/142=28, 3.0/5242=19...(6) HA ASN 52 - H ILE 37 lone 7 78 - 9 - 2.9/5317=3, 4.3/5294=2...(4) HA ASN 14 - H ILE 37 lone 5 92 - 5 - 5335/4.6=5 Peak 5294 from nnoeabs.peaks (6.98, 7.81, 116.34 ppm; 4.00 A): 5 out of 7 assignments used, quality = 0.87: QE PHE 83 + H ILE 37 OK 50 100 - 50 - 5307/4.5=8, 5300/4.0=8...(14) HZ PHE 88 + H ILE 37 OK 36 100 - 36 - 5307/4.5=5, 4852/4.0=5...(13) QE PHE 70 + H ILE 37 OK 36 95 - 39 - 5330/4.6=6, 5300/4.0=5...(13) HE22 GLN 48 + H ILE 37 OK 24 100 - 24 - 5307/4.5=3, 3.5/146=3...(11) HD21 ASN 52 + H ILE 37 OK 15 100 - 14 - 4.3/5293=2, 5.5/5317=1...(5) HD21 ASN 24 - H ILE 37 lone 6 93 - 6 - HE22 GLN 19 - H ILE 37 lone 3 63 - 4 - 4.6/144=1 Peak 5317 from nnoeabs.peaks (8.35, 7.81, 116.34 ppm; 4.65 A): 4 out of 4 assignments used, quality = 0.90: H LYS 35 + H ILE 37 OK 83 99 - 84 - 5242=38, 3.0/5293=31...(9) H LYS 94 + H ILE 37 OK 22 100 - 22 - 132/4.6=5, 5262/3.5=5...(6) H ASN 52 + H ILE 37 OK 13 93 - 14 - 2.9/5293=4, 132/4.6=2...(5) H GLY 64 + H ILE 37 OK 13 81 - 16 - 132/4.6=4, 5262/3.5=3...(7) Peak 5329 from nnoeabs.peaks (7.06, 7.34, 107.24 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.78: QD PHE 70 + H GLY 38 OK 67 100 - 68 - 5325/3.0=20, 5327/3.0=19...(12) HZ3 TRP 82 + H GLY 38 OK 16 85 - 18 - 4598=5, 5327/3.0=4...(5) HD22 ASN 91 + H GLY 38 OK 11 73 - 14 - 5327/3.0=4, 5325/3.0=3 HZ PHE 17 + H GLY 38 OK 11 78 - 14 - 5327/3.0=4, 5325/3.0=3...(4) Peak 5330 from nnoeabs.peaks (6.98, 7.34, 107.24 ppm; 3.95 A): 6 out of 8 assignments used, quality = 0.87: QE PHE 70 + H GLY 38 OK 54 97 - 56 - 2.2/5329=17, ~5325=10...(15) QE PHE 83 + H GLY 38 OK 34 99 - 35 - 5300/4.4=7, 5294/4.6=6...(11) HZ PHE 88 + H GLY 38 OK 34 100 - 34 - 4848/3.0=7, 5294/4.6=4...(13) HE22 GLN 48 + H GLY 38 OK 15 100 - 15 - 5294/4.6=3, 5297/3.6=2...(6) QE PHE 88 + H GLY 38 OK 12 60 - 19 - ~4848=4, ~5326=4...(6) HZ PHE 83 + H GLY 38 OK 10 57 - 18 - 4808/4.4=4, 4836/4.4=2...(8) HD21 ASN 52 - H GLY 38 lone 10 99 - 10 - 4.3/5335=2, 5294/4.6=2 HD21 ASN 24 - H GLY 38 lone 7 89 - 7 - 3.5/4506=2, 4.4/5335=1 Peak 5331 from nnoeabs.peaks (7.53, 7.34, 107.24 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.69: H GLN 36 + H GLY 38 OK 64 83 - 77 - 4.6/150=28, 5256=27...(7) H TYR 33 + H GLY 38 OK 16 100 - 16 - 5313/4.4=6, 5164/4.4=3 Peak 5335 from nnoeabs.peaks (4.92, 7.34, 107.24 ppm; 3.51 A): 0 out of 4 assignments used, low quality = 0.27: HA LYS 35 - H GLY 38 OK 27 99 - 27 - 3.6/5331=13, 5293/4.6=12 HA ASN 14 - H GLY 38 poor 9 78 - 11 - 3.6/4540=4, 3.0/4505=3...(4) HA ASN 52 - H GLY 38 lone 3 92 - 3 - 5293/4.6=2 HA ASN 24 - H GLY 38 lone 2 68 - 3 - 3.0/4506=1 Peak 5336 from nnoeabs.peaks (1.68, 7.34, 107.24 ppm; 4.72 A): 4 out of 18 assignments used, quality = 0.95: HG12 ILE 39 + H GLY 38 OK 78 96 - 81 - 4.6/157=21, 5370/3.0=18...(14) QB ALA 79 + H GLY 38 OK 49 96 - 52 - 6472/4.4=11, 5269/4.4=10...(15) HB ILE 40 + H GLY 38 OK 38 100 - 38 - 5412/3.0=7, 756/4.6=5...(13) HD3 LYS 35 + H GLY 38 OK 35 100 - 35 - 5.1/5335=18, 4134/5256=5...(9) HD2 LYS 61 - H GLY 38 OK 29 100 - 29 - ~5339=4, ~5344=3...(14) HD3 LYS 61 - H GLY 38 OK 29 100 - 29 - ~5339=4, ~5344=3...(14) HD2 LYS 44 - H GLY 38 OK 27 100 - 27 - 5341/3.0=3, 5347/3.0=3...(12) HD3 LYS 44 - H GLY 38 OK 27 100 - 27 - 5341/3.0=3, 5347/3.0=3...(12) HD2 LYS 77 - H GLY 38 OK 23 78 - 30 - 1.8/6408=8, 4.6/6403=6...(9) HD2 LYS 94 - H GLY 38 OK 12 100 - 12 - HD3 LYS 94 - H GLY 38 OK 12 100 - 12 - HB3 LYS 61 - H GLY 38 OK 11 78 - 14 - 1.8/152=2, ~5340=2...(7) HG3 ARG 57 - H GLY 38 lone 6 100 - 6 - HG2 ARG 57 - H GLY 38 lone 6 100 - 6 - HG12 ILE 27 - H GLY 38 lone 6 78 - 8 - 1.8/155=2 HD3 LYS 63 - H GLY 38 lone 5 100 - 5 - HD3 LYS 45 - H GLY 38 lone 5 81 - 5 - HD2 LYS 45 - H GLY 38 lone 4 76 - 5 - Peak 5351 from nnoeabs.peaks (2.37, 8.12, 117.46 ppm; 5.05 A): 3 out of 5 assignments used, quality = 0.95: HB3 ASP 71 + H ILE 39 OK 90 100 - 91 - 6273/4.0=28, 1.8/5362=28...(14) HB3 PRO 74 + H ILE 39 OK 27 99 - 28 - 5355/3.9=6, 5356/4.0=6...(6) HG3 MET 50 + H ILE 39 OK 24 99 - 24 - 5356/4.0=5, 5355/3.9=5...(5) HG2 PRO 73 - H ILE 39 lone 8 92 - 9 - 5358/4.6=1, 5356/4.0=1...(5) HG2 GLN 48 - H ILE 39 lone 4 63 - 6 - 5617/5.0=2, 5358/4.6=2 Peak 5362 from nnoeabs.peaks (2.60, 8.12, 117.46 ppm; 4.81 A): 3 out of 6 assignments used, quality = 0.84: HB2 ASP 71 + H ILE 39 OK 77 93 - 83 - 6246=27, 6265/3.9=22...(12) HB2 ASN 52 + H ILE 39 OK 16 98 - 17 - 5367/4.0=6, 5368/3.9=5 HB3 ASN 52 + H ILE 39 OK 16 99 - 16 - 5367/4.0=5, 5368/3.9=5 HB3 ASP 32 - H ILE 39 lone 4 81 - 5 - 5138/4.7=2, 5138/1091=1 HB3 ASP 81 - H ILE 39 lone 3 57 - 5 - 4.0/1196=2 HB3 ASP 12 - H ILE 39 lone 2 76 - 2 - Peak 5363 from nnoeabs.peaks (3.05, 8.12, 117.46 ppm; 5.30 A): 4 out of 5 assignments used, quality = 0.55: HB2 SER 75 + H ILE 39 OK 25 95 - 26 - 3.0/4462=6, 5339/3.6=6...(5) HE2 LYS 61 + H ILE 39 OK 19 87 - 22 - 5339/3.6=7, 5344/3.6=7...(5) HE2 LYS 41 + H ILE 39 OK 18 100 - 18 - 5339/3.6=5, 5344/3.6=5, ~2127=2 HE2 LYS 77 + H ILE 39 OK 11 78 - 14 - 5.6/4468=5, 6.8/1179=3 HB2 ASP 56 - H ILE 39 lone 4 83 - 5 - 5339/3.6=1, 5344/3.6=1 Peak 5376 from nnoeabs.peaks (7.06, 8.12, 117.46 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.58: QD PHE 70 + H ILE 39 OK 53 98 - 55 - 5325/3.6=19, 5327/3.6=17...(10) HZ3 TRP 82 + H ILE 39 OK 11 76 - 14 - 5329/4.6=4, 5325/3.6=4...(4) HD22 ASN 91 - H ILE 39 poor 9 63 - 14 - 5327/3.6=3, 5325/3.6=3...(4) HZ PHE 17 - H ILE 39 poor 8 68 - 12 - 5327/3.6=3, 5325/3.6=3 Peak 5377 from nnoeabs.peaks (8.46, 8.12, 117.46 ppm; 4.90 A): 5 out of 10 assignments used, quality = 0.94: H ASP 71 + H ILE 39 OK 73 97 - 75 - 3.9/5362=19, 4.4/5376=17...(11) H ASP 72 + H ILE 39 OK 49 89 - 56 - 4.5/5362=17, 4.5/6245=15...(8) H THR 15 + H ILE 39 OK 24 100 - 24 - 4540/4.6=7, 5379/4.0=3...(7) H THR 42 + H ILE 39 OK 24 97 - 25 - 5379/4.0=4, 5378/3.9=3...(11) H ALA 98 + H ILE 39 OK 21 93 - 22 - 463/4.6=6, 2.9/6988=3...(7) H LEU 21 - H ILE 39 lone 9 99 - 9 - 4.6/1074=3 H ILE 93 - H ILE 39 lone 9 100 - 8 - 5379/4.0=2, 4.0/754=1 H PHE 83 - H ILE 39 lone 8 87 - 9 - H GLY 60 - H ILE 39 lone 2 65 - 3 - H GLY 90 - H ILE 39 lone 1 68 - 2 - Peak 5411 from nnoeabs.peaks (4.83, 8.71, 131.84 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.78: HA PHE 70 + H ILE 40 OK 78 92 - 85 - 5410/3.0=36, 5416/4.0=35...(10) Peak 5456 from nnoeabs.peaks (0.02, 8.68, 130.16 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.75: QG1 VAL 68 + H LYS 41 OK 75 90 - 83 - 5451/4.1=36, 5448/3.6=32...(17) Peak 5457 from nnoeabs.peaks (2.03, 8.68, 130.16 ppm; 5.09 A): 2 out of 8 assignments used, quality = 0.99: HB3 MET 50 + H LYS 41 OK 92 100 - 92 - 1.8/5696=42, 5697=35...(15) QE MET 50 + H LYS 41 OK 90 100 - 90 - 4.1/5696=30, 5673/4.0=23...(17) HB2 LYS 35 - H LYS 41 OK 28 85 - 33 - 7075/172=10, 1801/4.5=6...(7) HG2 PRO 49 - H LYS 41 OK 12 63 - 20 - 5437/4.1=9, 4202/5483=4...(5) HG2 PRO 92 - H LYS 41 lone 10 100 - 9 - 4374/4.6=2, 5437/4.1=1...(4) HB2 GLU 23 - H LYS 41 poor 10 68 - 14 - 5666/4.1=3, 5697=3...(4) HB3 GLU 23 - H LYS 41 lone 6 60 - 10 - 4856/3.6=3, 1.8/5697=3...(4) HB3 GLN 36 - H LYS 41 lone 4 90 - 4 - Peak 5458 from nnoeabs.peaks (2.37, 8.68, 130.16 ppm; 4.92 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 71 + H LYS 41 OK 94 100 - 94 - 1.8/6243=30, 6244=28...(22) HG3 MET 50 + H LYS 41 OK 86 99 - 87 - 2.9/5696=34, 2.9/5697=23...(19) HB3 PRO 74 - H LYS 41 OK 22 99 - 22 - 7081/3.0=4, 2.3/5468=3...(10) HG2 PRO 73 - H LYS 41 lone 8 92 - 8 - 3.8/5468=2, 7081/3.0=1 HG2 GLN 48 - H LYS 41 lone 1 63 - 2 - Peak 5468 from nnoeabs.peaks (4.41, 8.68, 130.16 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.99: HA ASP 71 + H LYS 41 OK 96 99 - 97 - 6263/4.0=31, 6242=30...(22) HA MET 50 + H LYS 41 OK 71 85 - 84 - 3.0/5696=33, 3.0/5483=26...(18) HA THR 42 + H LYS 41 OK 52 68 - 76 - 3.0/174=28, ~175=21...(13) HA PRO 74 - H LYS 41 OK 25 100 - 25 - 2.3/5458=4, 5475/4.0=3...(12) HA PRO 73 - H LYS 41 OK 18 97 - 18 - 5.0/5458=2, 5471/3.0=2...(8) HA SER 29 - H LYS 41 OK 14 78 - 18 - 5421/4.1=4, 4416/4.6=3...(8) HA THR 59 - H LYS 41 OK 11 71 - 16 - 5476/4.0=2, 5475/4.0=2...(8) HB THR 46 - H LYS 41 lone 8 93 - 9 - 5557/5458=1 Peak 5469 from nnoeabs.peaks (4.83, 8.68, 130.16 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.69: HA PHE 70 + H LYS 41 OK 65 95 - 68 - 5410/3.6=17, 5416/4.1=15...(14) HA ILE 51 + H LYS 41 OK 13 63 - 21 - 5410/3.6=4, 3.0/768=3...(6) Peak 5483 from nnoeabs.peaks (8.88, 8.68, 130.16 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.87: H MET 50 + H LYS 41 OK 82 99 - 83 - 5385/4.1=28, 5695=28...(15) H PHE 97 + H LYS 41 OK 27 100 - 27 - 5506/4.6=8, 5385/4.1=6...(8) Peak 5484 from nnoeabs.peaks (8.98, 8.68, 130.16 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.76: H PHE 70 + H LYS 41 OK 76 87 - 87 - 3.0/5469=38, 6215=35...(13) Peak 5485 from nnoeabs.peaks (7.07, 8.68, 130.16 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.71: QD PHE 70 + H LYS 41 OK 71 87 - 82 - 3.7/5469=33, 5383/3.6=25...(14) Peak 5504 from nnoeabs.peaks (2.38, 8.47, 118.31 ppm; 5.05 A): 2 out of 10 assignments used, quality = 0.93: HG3 MET 50 + H THR 42 OK 81 100 - 82 - 5524/4.6=20, 7092/3.0=18...(16) HB3 ASP 71 + H THR 42 OK 65 99 - 66 - 6272/4.6=19, 7081/3.6=16...(14) HB3 PRO 74 - H THR 42 OK 18 100 - 18 - 7081/3.6=4, 3.9/6346=4...(4) HG3 GLN 48 - H THR 42 OK 11 71 - 16 - ~5588=4, ~5604=4...(4) HG3 MET 50 - H THR 15 poor 9 61 - 15 - 5703/4.6=3, 5669/4.0=3 HB3 ASP 71 - H THR 15 poor 7 60 - 12 - 6273/5379=1, 3118=1...(4) HG2 PRO 73 - H THR 42 lone 4 65 - 6 - 5524/4.6=2 HB3 PRO 74 - H THR 15 lone 4 61 - 6 - 3.9/6346=2 HG2 PRO 73 - H THR 15 lone 3 34 - 9 - 6316/4.6=7 HG3 GLN 48 - H THR 15 lone 1 37 - 2 - Peak 5506 from nnoeabs.peaks (8.89, 8.47, 118.31 ppm; 4.94 A): 3 out of 4 assignments used, quality = 0.84: H MET 50 + H THR 42 OK 69 97 - 71 - 5509/4.0=24, 5505/3.0=21...(11) H PHE 97 + H THR 42 OK 44 100 - 43 - 5509/4.0=10, 1134=9...(11) H PHE 97 + H THR 15 OK 11 62 - 18 - 1134=3, 4.5/4754=3...(6) H MET 50 - H THR 15 lone 5 57 - 9 - 5483/174=1, 5.0/5504=1 Peak 5513 from nnoeabs.peaks (8.64, 8.81, 124.15 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.80: H GLY 47 + H ASN 43 OK 80 100 - 80 - 5575/4.0=34, 5511/4.2=30...(8) H GLY 85 - H ASN 43 lone 8 76 - 10 - 5516/4.0=2, 5514/4.0=2...(4) Peak 5520 from nnoeabs.peaks (7.67, 8.81, 124.15 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.92: H GLN 48 + H ASN 43 OK 73 93 - 78 - 5585=37, 5608/4.0=25...(8) HD21 ASN 43 + H ASN 43 OK 60 83 - 72 - 5.7=35, 3.5/782=32...(6) H SER 69 + H ASN 43 OK 30 99 - 31 - 3.0/6211=5, 4.3/6176=4...(11) H TYR 54 - H ASN 43 lone 1 63 - 2 - Peak 5521 from nnoeabs.peaks (4.59, 8.81, 124.15 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.55: HA PRO 49 + H ASN 43 OK 47 100 - 47 - 5502/4.2=17, 5631/3.6=16...(8) HA ASP 12 + H ASN 43 OK 15 95 - 15 - 7143/3.6=5, 5502/4.2=4...(4) HA ASN 13 - H ASN 43 lone 2 65 - 3 - Peak 5524 from nnoeabs.peaks (2.38, 8.81, 124.15 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.87: HG3 MET 50 + H ASN 43 OK 82 100 - 82 - 5703=27, 1.8/5525=24...(11) HB3 ASP 71 + H ASN 43 OK 18 100 - 18 - 5504/4.6=6, 6273/4.2=4...(6) HB3 PRO 74 + H ASN 43 OK 14 100 - 14 - 5534/4.0=3, 5528/4.0=2...(7) HG2 PRO 73 - H ASN 43 lone 6 83 - 8 - 5578/5513=2, 3.8/185=2 Peak 5525 from nnoeabs.peaks (2.27, 8.81, 124.15 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.79: HG2 MET 50 + H ASN 43 OK 69 100 - 69 - 1.8/5524=24, 5684/4.0=17...(9) HG2 GLU 28 + H ASN 43 OK 32 99 - 32 - 1626=11, 1.8/1632=7...(8) HB3 LYS 86 - H ASN 43 lone 7 95 - 8 - 5535/4.0=2, 5683/4.0=1...(4) HB3 PRO 73 - H ASN 43 lone 4 60 - 6 - 2.3/185=2, 2.3/5524=2 HG3 GLU 23 - H ASN 43 lone 3 87 - 3 - Peak 5526 from nnoeabs.peaks (2.02, 8.81, 124.15 ppm; 4.79 A): 2 out of 7 assignments used, quality = 0.94: QE MET 50 + H ASN 43 OK 81 99 - 82 - 5690/2.9=37, 7193/4.0=27...(8) HB3 MET 50 + H ASN 43 OK 67 100 - 68 - 2.9/5524=25, 2.9/5525=23...(9) HG2 PRO 49 - H ASN 43 OK 26 78 - 34 - 3.8/5521=26, 5026/3.6=4 HB2 GLU 23 - H ASN 43 lone 5 83 - 6 - 3.0/5525=1 HG2 PRO 92 - H ASN 43 lone 4 100 - 4 - 4374/4.6=1 HB3 GLN 36 - H ASN 43 lone 3 97 - 3 - HB2 LYS 35 - H ASN 43 lone 2 71 - 3 - 7205/4.6=1 Peak 5540 from nnoeabs.peaks (1.14, 7.65, 113.88 ppm; 4.79 A): 4 out of 10 assignments used, quality = 0.86: QG2 THR 46 + HD21 ASN 43 OK 77 97 - 79 - 5570/1.7=30, 5561/3.5=26...(10) QG2 THR 15 + HD21 ASN 43 OK 17 87 - 19 - 5542/1.7=5, 5538/3.5=4...(5) HB3 LEU 21 + HD21 ASN 43 OK 15 90 - 17 - 5542/1.7=5, ~5542=3...(4) HB2 LEU 21 + HD21 ASN 43 OK 14 87 - 15 - 5542/1.7=4, ~5542=4...(4) HG13 ILE 27 - HD21 ASN 43 poor 10 78 - 13 - 5542/1.7=3, 4097/5.7=3...(4) HB3 LEU 21 - HD22 ASN 24 lone 1 28 - 2 - HG13 ILE 27 - HD22 ASN 24 lone 1 23 - 3 - HB2 LEU 21 - HD22 ASN 24 lone 1 26 - 2 - QG2 THR 46 - HD22 ASN 24 lone 1 32 - 2 - QG2 THR 15 - HD22 ASN 24 lone 1 26 - 2 - Peak 5541 from nnoeabs.peaks (1.95, 7.20, 113.88 ppm; 5.05 A): 2 out of 6 assignments used, quality = 0.47: HB3 LYS 45 + HD22 ASN 43 OK 27 100 - 27 - 4.0/5545=19, 7087/5570=6...(4) HB2 LYS 45 + HD22 ASN 43 OK 27 100 - 27 - 4.0/5545=19, 7087/5570=6...(4) HB VAL 95 - HD22 ASN 43 lone 3 100 - 3 - HG3 PRO 73 - HD22 ASN 43 lone 3 100 - 3 - 5563/5570=1 HG3 PRO 49 - HD22 ASN 43 lone 3 99 - 3 - HG2 GLN 19 - HD22 ASN 43 lone 1 63 - 2 - Peak 5542 from nnoeabs.peaks (1.14, 7.20, 113.88 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.70: QG2 THR 46 + HD22 ASN 43 OK 63 97 - 65 - 5570=23, 5561/3.5=19...(8) QG2 THR 15 + HD22 ASN 43 OK 11 87 - 12 - 5540/1.7=4, 5538/3.5=3...(4) HB3 LEU 21 + HD22 ASN 43 OK 10 90 - 11 - 5540/1.7=3, 5538/3.5=2...(4) HB2 LEU 21 - HD22 ASN 43 poor 9 87 - 11 - 5540/1.7=3, ~5540=3...(4) HG13 ILE 27 - HD22 ASN 43 lone 6 78 - 8 - 5540/1.7=2, 4097/5.7=2...(4) Peak 5545 from nnoeabs.peaks (7.22, 7.42, 105.38 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.68: HD22 ASN 43 + H THR 46 OK 62 85 - 73 - 3.5/5554=33, 3.5/5553=24...(6) H LYS 77 + H THR 46 OK 15 85 - 18 - 5570/4.0=4, 346=3...(4) HD22 ASN 14 - H THR 46 lone 4 97 - 4 - 5570/4.0=1 Peak 5546 from nnoeabs.peaks (1.14, 8.31, 117.32 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.62: QG2 THR 46 + H LYS 45 OK 62 97 - 65 - 4.0/1095=28, 4.3/5547=21...(8) HB3 LEU 21 - H LYS 45 lone 7 92 - 8 - 799/4.6=1 HB2 LEU 21 - H LYS 45 lone 6 89 - 7 - 799/4.6=1 HG13 ILE 27 - H LYS 45 lone 5 81 - 6 - 2.8/189=1 QG2 THR 15 - H LYS 45 lone 5 89 - 5 - Peak 5547 from nnoeabs.peaks (8.64, 8.31, 117.32 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.78: H GLY 47 + H LYS 45 OK 75 100 - 76 - 1096/4.6=28, 5544/3.6=23...(8) H GLY 85 + H LYS 45 OK 11 73 - 14 - 5544/3.6=3, 5551/4.0=3...(5) Peak 5548 from nnoeabs.peaks (8.33, 8.64, 111.48 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.70: H LYS 45 + H GLY 47 OK 63 81 - 78 - 5547=33, 4.6/1096=29...(7) H LYS 94 + H GLY 47 OK 19 81 - 23 - 4.5/6925=6, 4.0/5580=5...(6) H LYS 35 - H GLY 47 lone 7 96 - 7 - 4.3/207=3, 1165/3.0=1 H ASP 32 - H GLY 47 lone 6 81 - 8 - 197/4.7=2, 5116/5510=1 H GLY 64 - H GLY 47 lone 4 100 - 4 - Peak 5549 from nnoeabs.peaks (8.33, 8.31, 111.48 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Peak 5550 from nnoeabs.peaks (7.66, 8.31, 117.32 ppm; 5.07 A): 2 out of 4 assignments used, quality = 0.60: H GLN 48 + H LYS 45 OK 48 100 - 48 - 4.6/5547=25, 5586/4.6=25 HD21 ASN 43 + H LYS 45 OK 22 97 - 23 - 5571/4.6=13, 5540/5546=5 H SER 69 - H LYS 45 lone 6 89 - 6 - 5571/4.6=2 H TYR 54 - H LYS 45 lone 3 85 - 4 - Peak 5553 from nnoeabs.peaks (2.55, 7.42, 105.38 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.88: HB3 ASN 43 + H THR 46 OK 88 100 - 88 - 1.8/5554=46, 5517=35...(8) HB2 TRP 82 - H THR 46 lone 9 97 - 9 - 4483/3.6=1, 5576/4.7=1 HB3 ASN 14 - H THR 46 lone 3 60 - 6 - 3.5/5545=2 HB2 ASN 13 - H THR 46 lone 3 78 - 4 - Peak 5554 from nnoeabs.peaks (3.27, 7.42, 105.38 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.79: HB2 ASN 43 + H THR 46 OK 79 100 - 80 - 5515=28, 1.8/5553=26...(8) Peak 5555 from nnoeabs.peaks (3.68, 7.42, 105.38 ppm; 4.17 A): 2 out of 5 assignments used, quality = 0.72: HA2 GLY 47 + H THR 46 OK 65 99 - 66 - 3.0/1096=37, 3.6/5586=22...(5) HD3 PRO 49 + H THR 46 OK 20 93 - 22 - 4.8/5586=16, 801/4.7=3 HD2 PRO 74 - H THR 46 lone 9 99 - 9 - 2.5/798=3, 3.6/798=3, 801/4.7=1 HA LEU 21 - H THR 46 lone 8 99 - 8 - 2.9/799=2, 2.9/799=2 HB2 SER 69 - H THR 46 lone 4 87 - 4 - 4.0/5571=1 Peak 5556 from nnoeabs.peaks (4.00, 7.42, 105.38 ppm; 4.36 A): 2 out of 6 assignments used, quality = 0.49: HA LYS 44 + H THR 46 OK 43 95 - 45 - 3.6/1095=30, 5544/4.7=17 HA SER 75 + H THR 46 OK 10 93 - 11 - 5574/4.7=2, 2.9/1116=2...(4) HA GLU 28 - H THR 46 lone 6 73 - 8 - 4415/4.6=3, 5574/4.7=2 HB2 SER 29 - H THR 46 lone 6 100 - 6 - 5574/4.7=2, 3.0/798=1 HA ARG 57 - H THR 46 lone 3 90 - 3 - 5889/3.6=1 HB3 SER 89 - H THR 46 lone 3 99 - 3 - Peak 5571 from nnoeabs.peaks (7.66, 7.42, 105.38 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.93: H GLN 48 + H THR 46 OK 83 100 - 83 - 5586=34, 5593/2.9=23...(11) HD21 ASN 43 + H THR 46 OK 60 97 - 62 - 3.5/5554=23, 1.7/5545=20...(7) H SER 69 - H THR 46 lone 8 87 - 9 - 4.3/6152=2, 4.3/6162=2 H TYR 54 - H THR 46 lone 3 87 - 3 - Peak 5574 from nnoeabs.peaks (4.00, 8.64, 111.48 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.53: HA LYS 44 + H GLY 47 OK 53 99 - 54 - 5544=24, 3.6/5547=18...(5) HA SER 75 - H GLY 47 lone 8 85 - 9 - 5556/4.7=2, 7145/3.0=2 HA GLU 28 - H GLY 47 lone 7 85 - 9 - 5498/5510=3, 7145/3.0=2...(4) HB2 SER 29 - H GLY 47 lone 5 99 - 5 - 7145/3.0=1, 5556/4.7=1 HB3 SER 89 - H GLY 47 lone 3 100 - 3 - HA ARG 57 - H GLY 47 lone 2 81 - 2 - Peak 5575 from nnoeabs.peaks (3.27, 8.64, 111.48 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.84: HB2 ASN 43 + H GLY 47 OK 84 100 - 84 - 5514=29, 1.8/5576=28...(11) Peak 5576 from nnoeabs.peaks (2.56, 8.64, 111.48 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.87: HB3 ASN 43 + H GLY 47 OK 87 98 - 89 - 1.8/5575=45, 5516=32...(11) HB2 ASP 71 - H GLY 47 poor 7 60 - 11 - 1.8/5578=8, 5367/5581=1 HB2 TRP 82 - H GLY 47 lone 4 83 - 5 - 5553/4.7=2, 5607/4.6=1 Peak 5578 from nnoeabs.peaks (2.38, 8.64, 111.48 ppm; 4.62 A): 4 out of 4 assignments used, quality = 0.68: HG3 MET 50 + H GLY 47 OK 39 100 - 39 - 5689/5575=12...(5) HG2 PRO 73 + H GLY 47 OK 22 87 - 25 - 5560/4.3=7, 5557/4.4=5...(6) HB3 ASP 71 + H GLY 47 OK 19 100 - 19 - 5560/4.3=4, 5557/4.4=3...(7) HB3 PRO 74 + H GLY 47 OK 16 100 - 16 - 5560/4.3=4, 1.8/5580=3...(7) Peak 5579 from nnoeabs.peaks (1.94, 8.64, 111.48 ppm; 4.37 A): 5 out of 5 assignments used, quality = 0.91: HB3 LYS 45 + H GLY 47 OK 61 96 - 64 - 4.0/1096=31, 4.0/5547=21...(5) HB2 LYS 45 + H GLY 47 OK 61 96 - 64 - 4.0/1096=31, 4.0/5547=21...(5) HG3 PRO 73 + H GLY 47 OK 19 96 - 20 - 1.8/5578=8, 5563/4.3=3...(5) HB VAL 95 + H GLY 47 OK 18 99 - 18 - 3.9/6925=7, 2.1/6928=5...(4) HG3 PRO 49 + H GLY 47 OK 11 100 - 11 - 2.3/801=6, 7089/5544=1 Peak 5580 from nnoeabs.peaks (1.83, 8.64, 111.48 ppm; 4.54 A): 5 out of 11 assignments used, quality = 0.76: HB2 GLN 48 + H GLY 47 OK 52 76 - 69 - 3.8/211=35, 5559/4.4=12...(12) HB2 LYS 94 + H GLY 47 OK 21 99 - 21 - 4.6/6925=6, 4.0/5548=5...(5) HB ILE 39 + H GLY 47 OK 19 99 - 19 - 2.1/5581=6, ~5582=3...(7) HB ILE 93 + H GLY 47 OK 14 81 - 17 - 4.4/5548=5, 3.0/7130=3...(5) HB2 PRO 74 + H GLY 47 OK 10 99 - 10 - 1.8/5578=7, 3.0/801=2 HB3 GLU 65 - H GLY 47 lone 3 100 - 3 - HG LEU 62 - H GLY 47 lone 2 87 - 3 - HB ILE 37 - H GLY 47 lone 2 68 - 3 - HB2 LYS 61 - H GLY 47 lone 2 98 - 2 - HG2 GLU 87 - H GLY 47 lone 2 60 - 3 - HB ILE 16 - H GLY 47 lone 1 60 - 1 - Peak 5581 from nnoeabs.peaks (0.88, 8.64, 111.48 ppm; 3.79 A): 4 out of 5 assignments used, quality = 0.86: QG2 THR 42 + H GLY 47 OK 74 100 - 74 - 5511=35, 5499/3.0=24...(10) QD1 ILE 51 + H GLY 47 OK 24 99 - 24 - 5582/3.0=6, 5584/3.0=4...(7) QG2 ILE 39 + H GLY 47 OK 18 99 - 18 - 2.1/5580=4, 5582/3.0=3...(7) QG1 VAL 18 + H GLY 47 OK 11 99 - 11 - 5582/3.0=3, 5584/3.0=2 QG2 ILE 37 - H GLY 47 lone 2 60 - 4 - Peak 5585 from nnoeabs.peaks (8.81, 7.66, 118.77 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.76: H ASN 43 + H GLN 48 OK 73 100 - 73 - 4.0/5608=27, 4.0/5607=22...(8) H ILE 16 + H GLN 48 OK 11 100 - 11 - 4.1/5609=3, 5587/3.8=2 H GLU 28 - H GLN 48 lone 7 99 - 7 - 4173/5610=1, 5587/3.8=1 Peak 5586 from nnoeabs.peaks (7.43, 7.66, 118.77 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.86: H THR 46 + H GLN 48 OK 83 100 - 84 - 5571=27, 2.9/5593=26...(11) QD PHE 34 + H GLN 48 OK 14 100 - 14 - 5573/3.6=3, 5572/3.6=3...(4) H ALA 76 - H GLN 48 lone 8 90 - 9 - 5573/3.6=2, 207/4.6=2 Peak 5590 from nnoeabs.peaks (4.39, 7.66, 118.77 ppm; 3.70 A): 4 out of 10 assignments used, quality = 0.91: HB THR 46 + H GLN 48 OK 77 100 - 77 - 3.0/5593=21, 4.4/211=21...(12) HA THR 42 + H GLN 48 OK 44 99 - 45 - 3.6/5585=18, 3.2/5610=16...(9) HA PRO 73 + H GLN 48 OK 18 98 - 18 - 5604/5.0=3, 5601/5.0=3...(6) HA PRO 74 + H GLN 48 OK 11 90 - 12 - 2.3/808=2, 3.6/212=2...(6) HA SER 29 - H GLN 48 lone 6 100 - 6 - 5589/3.8=1 HA SER 11 - H GLN 48 lone 4 60 - 6 - 3.0/5594=3, ~5595=1 HA ASP 71 - H GLN 48 lone 3 71 - 5 - HA TRP 82 - H GLN 48 lone 2 71 - 3 - 3.0/5607=1 HA ALA 98 - H GLN 48 lone 2 90 - 2 - HA LEU 62 - H GLN 48 lone 1 73 - 2 - Peak 5591 from nnoeabs.peaks (5.64, 7.66, 118.77 ppm; 4.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5593 from nnoeabs.peaks (4.50, 7.66, 118.77 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.51: HA THR 46 + H GLN 48 OK 51 73 - 70 - 3.6/211=37, 2.9/5586=28...(4) HA PHE 88 - H GLN 48 lone 2 96 - 2 - Peak 5594 from nnoeabs.peaks (3.85, 7.66, 118.77 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.98: HD2 PRO 49 + H GLN 48 OK 98 99 - 99 - 4.8=88, 5632/3.0=39...(12) HB THR 55 - H GLN 48 OK 21 89 - 23 - 5597/3.8=5, 5599/3.8=5...(6) HB2 SER 11 - H GLN 48 OK 20 100 - 20 - 5595/3.0=4, 5599/3.8=4...(5) Peak 5607 from nnoeabs.peaks (2.55, 7.66, 118.77 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.71: HB3 ASN 43 + H GLN 48 OK 71 100 - 72 - 1.8/5608=44, 4.0/5585=19...(9) HB2 TRP 82 - H GLN 48 lone 4 92 - 4 - HB2 ASN 13 - H GLN 48 lone 1 65 - 2 - Peak 5608 from nnoeabs.peaks (3.28, 7.66, 118.77 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.61: HB2 ASN 43 + H GLN 48 OK 61 99 - 62 - 1.8/5607=26, 4.0/5585=14...(9) Peak 5609 from nnoeabs.peaks (1.15, 7.66, 118.77 ppm; 4.08 A): 3 out of 5 assignments used, quality = 0.73: QG2 THR 46 + H GLN 48 OK 64 83 - 78 - 4.3/211=26, 3.2/5593=25...(10) HG13 ILE 27 + H GLN 48 OK 14 96 - 14 - 5616/5.0=4, ~4948=2...(4) QG2 THR 15 + H GLN 48 OK 13 99 - 13 - 4548=3, 4.1/5585=3...(5) HB3 LEU 21 - H GLN 48 lone 10 99 - 10 - 5616/5.0=2, 2.9/212=1...(4) HB2 LEU 21 - H GLN 48 lone 8 99 - 8 - 5616/5.0=1, 2.9/212=1 Peak 5610 from nnoeabs.peaks (0.88, 7.66, 118.77 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.88: QG2 THR 42 + H GLN 48 OK 81 99 - 82 - 5512=26, 7189/3.0=23...(10) QD1 ILE 51 + H GLN 48 OK 25 97 - 25 - 5582/3.6=5, 5581/4.6=4...(10) QG2 ILE 39 + H GLN 48 OK 16 100 - 16 - 5582/3.6=3, 5581/4.6=3...(7) QG1 VAL 18 - H GLN 48 lone 10 96 - 10 - 5582/3.6=2, 5581/4.6=2 Peak 5656 from nnoeabs.peaks (1.45, 8.88, 124.20 ppm; 4.17 A): 4 out of 13 assignments used, quality = 0.97: HB ILE 51 + H MET 50 OK 70 97 - 72 - 3.8/1098=26, 3.2/5709=17...(17) HG13 ILE 51 + H MET 50 OK 58 95 - 62 - 2.1/5709=20, 5.2/1098=18...(15) HB2 LYS 41 + H MET 50 OK 50 76 - 66 - 4.0/5483=16, 4.6/5506=9...(22) QB ALA 31 + H MET 50 OK 49 89 - 55 - 5093/3.8=19, 5097/3.8=13...(15) HG12 ILE 80 - H MET 50 OK 24 99 - 25 - 3.2/5657=4, 5639/3.8=4...(6) QG2 THR 67 - H MET 50 OK 18 99 - 18 - 6065/6208=4, 6069/4695=2...(7) HD3 LYS 86 - H MET 50 poor 9 71 - 12 - 3.4/815=4, 6680=2...(5) HG3 LYS 94 - H MET 50 lone 7 100 - 7 - HG3 LYS 63 - H MET 50 lone 7 95 - 7 - 5639/3.8=1, 7191/3.8=1 HG2 LYS 63 - H MET 50 lone 7 95 - 7 - 5639/3.8=1, 7191/3.8=1 HG2 LYS 44 - H MET 50 lone 6 68 - 8 - HG3 LYS 61 - H MET 50 lone 3 71 - 4 - HG2 LYS 61 - H MET 50 lone 3 68 - 4 - Peak 5657 from nnoeabs.peaks (0.83, 8.88, 124.20 ppm; 3.32 A): 5 out of 8 assignments used, quality = 0.80: QG2 ILE 40 + H MET 50 OK 57 85 - 68 - 5385=29, 5415/3.6=13...(14) QG2 VAL 30 + H MET 50 OK 21 96 - 22 - 5636/3.8=3, 5622/3.8=3...(8) QG1 VAL 30 + H MET 50 OK 21 99 - 21 - 5622/3.8=3, 5636/3.8=3...(7) QG2 ILE 80 + H MET 50 OK 16 98 - 17 - 5636/3.8=4, 5622/3.8=3...(5) QG2 ILE 16 + H MET 50 OK 11 100 - 11 - 5663/4.0=2, 5660/3.0=1...(5) QD2 LEU 62 - H MET 50 lone 9 100 - 9 - 5636/3.8=1, 5622/3.8=1 QG2 ILE 37 - H MET 50 lone 7 93 - 7 - 5660/3.0=2, 5670/5.0=1 QG2 VAL 25 - H MET 50 lone 5 89 - 6 - Peak 5658 from nnoeabs.peaks (0.91, 8.88, 124.20 ppm; 4.05 A): 3 out of 3 assignments used, quality = 0.63: QG2 ILE 27 + H MET 50 OK 53 85 - 62 - 4965/3.8=15, 4933/4.6=15...(12) QD1 ILE 39 + H MET 50 OK 14 100 - 13 - 5659/3.0=4, 5359/5.0=3, ~5369=1 QG2 ILE 39 + H MET 50 OK 10 76 - 14 - 3.8/5695=5, ~5659=2...(4) Peak 5695 from nnoeabs.peaks (8.68, 8.88, 124.20 ppm; 4.65 A): 3 out of 3 assignments used, quality = 0.92: H LYS 41 + H MET 50 OK 83 99 - 84 - 5483=35, 4.1/5385=28...(14) H ALA 31 + H MET 50 OK 32 81 - 40 - 106/3.8=7, 2.9/5656=6...(11) H ILE 40 + H MET 50 OK 32 63 - 51 - 4.0/5385=28, 4.6/5483=17...(7) Peak 5725 from nnoeabs.peaks (4.93, 7.71, 126.17 ppm; 4.94 A): 2 out of 5 assignments used, quality = 0.69: HA ASN 52 + H ILE 51 OK 65 100 - 65 - 2.9/228=38, ~229=23...(4) HA LYS 35 + H ILE 51 OK 11 81 - 14 - 5715/4.0=5, 3.0/1099=4...(4) HA ASN 24 - H ILE 51 lone 8 97 - 8 - 5715/4.0=3, 2.9/1099=2 HA VAL 18 - H ILE 51 poor 8 76 - 11 - 5715/4.0=4, 3.2/824=3...(4) HA VAL 95 - H ILE 51 lone 4 68 - 5 - 5715/4.0=2, 4954/4936=1 Peak 5729 from nnoeabs.peaks (1.18, 7.71, 126.17 ppm; 4.93 A): 3 out of 6 assignments used, quality = 0.87: HG13 ILE 27 + H ILE 51 OK 64 76 - 85 - 2.1/4936=41, 3.2/4933=35...(8) HB3 LYS 41 + H ILE 51 OK 57 96 - 60 - 5662/4.6=17, 5665/4.6=15...(13) HG13 ILE 37 + H ILE 51 OK 17 100 - 17 - 5662/4.6=4, 5665/4.6=3...(6) HB2 LEU 21 - H ILE 51 poor 10 65 - 15 - 5735/4.0=7, 5728/3.8=6 HB3 LEU 21 - H ILE 51 poor 9 60 - 15 - 5735/4.0=7, 5728/3.8=6 QG2 THR 15 - H ILE 51 poor 7 65 - 10 - 4570/3.8=3, 5735/4.0=3...(4) Peak 5747 from nnoeabs.peaks (0.94, 7.71, 126.17 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.95: QG2 ILE 27 + H ILE 51 OK 79 98 - 81 - 4933=28, 2.8/4936=22...(15) QD1 ILE 27 + H ILE 51 OK 71 97 - 74 - 4936=26, 2.8/4933=23...(14) QB ALA 66 + H ILE 51 OK 12 76 - 16 - 6027/4.0=8, 6052/4.6=5, ~248=1 QD1 ILE 39 - H ILE 51 poor 8 73 - 11 - 5659/3.6=3, 3.0/824=2...(5) Peak 5765 from nnoeabs.peaks (0.60, 8.37, 124.78 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.86: QD2 LEU 53 + H ASN 52 OK 86 99 - 86 - 5751/4.1=35, 836/4.6=27...(18) Peak 5766 from nnoeabs.peaks (0.30, 8.37, 124.78 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 68 + H ASN 52 OK 79 97 - 81 - 2.1/5767=27, 6123/4.1=25...(16) QD1 LEU 21 + H ASN 52 OK 35 73 - 48 - 5753/4.1=12, 5749/4.4=8...(12) Peak 5767 from nnoeabs.peaks (0.01, 8.37, 124.78 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.91: QG1 VAL 68 + H ASN 52 OK 91 100 - 91 - 5754/4.1=34, 2.1/5766=32...(14) Peak 5768 from nnoeabs.peaks (0.97, 8.37, 124.78 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.85: QB ALA 66 + H ASN 52 OK 65 97 - 66 - 2.1/5775=27, 4.4/5774=14...(11) QD1 ILE 27 + H ASN 52 OK 36 78 - 46 - 4936/4.6=11, 4935/4.6=10...(10) QG1 VAL 95 + H ASN 52 OK 19 97 - 19 - 6052=3, 5816/4.6=2...(8) QD1 LEU 62 + H ASN 52 OK 17 60 - 28 - 2.1/5967=7, 3.1/5965=5...(8) Peak 5770 from nnoeabs.peaks (4.26, 8.37, 124.78 ppm; 4.06 A): 2 out of 8 assignments used, quality = 0.68: HA VAL 68 + H ASN 52 OK 62 97 - 64 - 3.2/5767=20, 3.2/5766=18...(8) HA3 GLY 64 + H ASN 52 OK 14 90 - 15 - 5717/4.1=5, 7148/3.6=4...(5) HA LYS 63 - H ASN 52 lone 7 92 - 7 - 7148/3.6=2 HA GLU 58 - H ASN 52 lone 6 98 - 6 - 3.0/1100=2 HA ALA 79 - H ASN 52 lone 4 96 - 4 - HA3 GLY 85 - H ASN 52 lone 4 99 - 4 - HA LYS 45 - H ASN 52 lone 3 96 - 3 - HD2 PRO 73 - H ASN 52 lone 1 85 - 1 - Peak 5774 from nnoeabs.peaks (5.76, 8.37, 124.78 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.59: HA THR 67 + H ASN 52 OK 59 100 - 59 - 4.4/5768=16...(9) Peak 5775 from nnoeabs.peaks (5.59, 8.37, 124.78 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.70: HA ALA 66 + H ASN 52 OK 70 98 - 71 - 5716/4.1=21, 2.1/5768=20...(10) Peak 5794 from nnoeabs.peaks (5.60, 8.58, 122.33 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.86: HA ALA 66 + H LEU 53 OK 86 97 - 89 - 7150/3.0=37, 6021/4.6=30...(9) Peak 5816 from nnoeabs.peaks (0.96, 8.58, 122.33 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.92: QB ALA 66 + H LEU 53 OK 74 100 - 74 - 2.1/5794=22, 6028/4.6=18...(14) QD1 ILE 27 + H LEU 53 OK 59 96 - 62 - 4935=25, 4980/4.6=16...(13) QG1 VAL 95 + H LEU 53 OK 20 83 - 24 - 6028/4.6=5, 5826/4.6=3...(8) Peak 5828 from nnoeabs.peaks (0.98, 7.64, 121.87 ppm; 4.49 A): 3 out of 3 assignments used, quality = 0.85: QB ALA 66 + H TYR 54 OK 69 85 - 82 - 2.1/5845=40, 6042=16...(15) QG1 VAL 95 + H TYR 54 OK 31 100 - 30 - 4706/4.6=5, 5818/4.4=5...(11) QD1 LEU 62 + H TYR 54 OK 30 83 - 37 - 5820/4.4=11, 5818/4.4=11...(7) Peak 5845 from nnoeabs.peaks (5.59, 7.64, 121.87 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.83: HA ALA 66 + H TYR 54 OK 83 100 - 83 - 7150/3.6=30, 6045=29...(10) Peak 5872 from nnoeabs.peaks (8.00, 8.94, 123.86 ppm; 4.24 A): 2 out of 8 assignments used, quality = 0.69: H LYS 63 + H ASP 56 OK 66 98 - 68 - 5970=32, 7053/3.6=21...(10) H LYS 63 + H ALA 66 OK 10 58 - 17 - 6013/4.6=9, 285/4.4=2 H PHE 34 - H ASP 56 lone 7 85 - 8 - 5855/4.1=3 H GLY 22 - H ALA 66 poor 6 58 - 11 - 6013/4.6=6, 62/4783=2 H LYS 86 - H ASP 56 lone 5 100 - 5 - 5855/4.1=1, 7.0/849=1 H GLY 22 - H ASP 56 lone 5 98 - 5 - 5855/4.1=2 H PHE 34 - H ALA 66 lone 4 46 - 9 - 6013/4.6=3, 5224/6177=1 H LYS 86 - H ALA 66 lone 2 61 - 4 - 6013/4.6=2 Peak 5873 from nnoeabs.peaks (7.76, 8.94, 123.86 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.83: H LYS 61 + H ASP 56 OK 77 99 - 78 - 5938=32, 5876/4.0=18...(13) H ASN 91 + H ASP 56 OK 24 100 - 24 - 5876/4.0=8, 5938=6...(5) H LYS 61 - H ALA 66 lone 4 59 - 7 - H ASN 91 - H ALA 66 lone 2 62 - 3 - Peak 5883 from nnoeabs.peaks (4.37, 8.94, 123.86 ppm; 3.73 A): 2 out of 16 assignments used, quality = 0.74: HA LYS 61 + H ASP 56 OK 51 93 - 55 - 2.9/5873=17, 7196/4.1=10...(13) HA LEU 62 + H ASP 56 OK 47 100 - 47 - 3.6/5970=14, 7097/3.6=13...(6) HA ALA 98 - H ALA 66 poor 6 61 - 11 - 2.1/6986=3, 6984/1069=1...(7) HA ALA 98 - H ASP 56 lone 5 100 - 5 - 2.1/6986=1 HA LEU 62 - H ALA 66 lone 4 61 - 7 - 3.6/5872=2, 5940=1 HA TRP 82 - H ASP 56 lone 4 100 - 4 - HA LYS 61 - H ALA 66 lone 4 53 - 7 - HA THR 42 - H ASP 56 lone 3 93 - 3 - HA SER 11 - H ASP 56 lone 2 99 - 2 - HA SER 29 - H ASP 56 lone 2 87 - 2 - HA TRP 82 - H ALA 66 lone 2 61 - 3 - HA SER 29 - H ALA 66 lone 1 47 - 2 - HA THR 42 - H ALA 66 lone 1 53 - 2 - HA SER 11 - H ALA 66 lone 1 59 - 1 - HB THR 46 - H ASP 56 lone 1 68 - 1 - HB THR 46 - H ALA 66 lone 0 35 - 1 - Peak 5884 from nnoeabs.peaks (1.85, 8.94, 123.86 ppm; 4.18 A): 5 out of 22 assignments used, quality = 0.80: HB2 LYS 61 + H ASP 56 OK 47 93 - 50 - 3.6/5873=18, 3.0/5883=13...(10) HB3 GLU 65 + H ALA 66 OK 29 32 - 93 - 4.4=86, 3.0/4271=22...(8) HB ILE 16 + H ALA 66 OK 27 60 - 45 - 4583/2.9=9, 4640=8...(13) HB2 LYS 63 + H ASP 56 OK 18 60 - 30 - 3.9/5970=16, 2.9/5976=5...(6) HB ILE 16 + H ASP 56 OK 12 99 - 12 - 4640=3, 2.1/5887=2...(5) HB ILE 27 - H ALA 66 poor 9 53 - 18 - ~6039=8, 4962/5792=3...(5) HB ILE 37 - H ASP 56 lone 5 100 - 5 - 6682/4.0=1, 2.1/5887=1 HB ILE 37 - H ALA 66 lone 4 61 - 6 - HB2 LYS 63 - H ALA 66 poor 4 30 - 12 - 5973/4.6=3, 7101/4.4=2 HB2 LYS 61 - H ALA 66 lone 3 53 - 6 - 3.6/5873=1 HB ILE 27 - H ASP 56 lone 3 93 - 3 - HD3 LYS 77 - H ASP 56 lone 3 92 - 3 - HB3 GLU 65 - H ASP 56 lone 2 63 - 4 - 3.0/4271=1 HB2 LYS 44 - H ASP 56 lone 2 99 - 2 - HB3 LYS 44 - H ASP 56 lone 2 97 - 2 - HD3 LYS 77 - H ALA 66 lone 2 51 - 3 - HB2 PRO 92 - H ASP 56 lone 2 92 - 2 - HB2 PRO 74 - H ASP 56 lone 1 92 - 2 - HB2 PRO 74 - H ALA 66 lone 1 51 - 3 - HB2 LYS 44 - H ALA 66 lone 1 59 - 2 - HB3 LYS 44 - H ALA 66 lone 1 56 - 2 - HB2 PRO 92 - H ALA 66 lone 1 51 - 2 - Peak 5885 from nnoeabs.peaks (1.66, 8.94, 123.86 ppm; 3.72 A): 6 out of 36 assignments used, quality = 0.81: HB3 LYS 61 + H ASP 56 OK 40 100 - 40 - 3.6/5873=15, 3.0/5883=11...(8) HD3 LYS 61 + H ASP 56 OK 25 76 - 33 - 6.0/5873=8, 4.8/5883=7...(10) HD2 LYS 61 + H ASP 56 OK 25 76 - 33 - 6.0/5873=8, 4.8/5883=7...(10) HD3 LYS 63 + H ASP 56 OK 22 76 - 29 - ~7103=8, 5.9/5970=7...(9) HB VAL 18 + H ALA 66 OK 20 43 - 46 - 4714/2.9=9, 1377=9...(9) HG3 GLN 19 + H ALA 66 OK 13 56 - 23 - 5998/3.6=5, 6018/5.0=4...(8) QB ALA 79 - H ALA 66 poor 9 57 - 17 - 6475/2.9=8, 6492/6033=2 HB VAL 18 - H ASP 56 lone 6 81 - 7 - 2.1/1387=2, 1377=1, 2.1/1382=1 HG12 ILE 27 - H ALA 66 lone 5 62 - 7 - 6036/2.9=2, 2.8/5884=1 QB ALA 79 - H ASP 56 lone 4 97 - 4 - HG12 ILE 40 - H ALA 66 lone 4 47 - 8 - 6036/2.9=1, ~6020=1 HB3 LYS 61 - H ALA 66 lone 3 62 - 5 - HG12 ILE 40 - H ASP 56 lone 3 87 - 3 - HD2 LYS 94 - H ASP 56 lone 3 85 - 3 - HD3 LYS 94 - H ASP 56 lone 3 85 - 3 - HG12 ILE 27 - H ASP 56 lone 2 100 - 2 - HG3 GLN 19 - H ASP 56 lone 2 97 - 2 - HB2 MET 50 - H ALA 66 lone 2 59 - 4 - HD2 LYS 44 - H ASP 56 lone 2 76 - 2 - HD3 LYS 44 - H ASP 56 lone 2 73 - 2 - HD3 LYS 63 - H ALA 66 lone 2 40 - 4 - 5.9/5872=1 HD2 LYS 94 - H ALA 66 lone 2 46 - 4 - 6018/5.0=1 HD3 LYS 94 - H ALA 66 lone 2 46 - 4 - 6018/5.0=1 HB ILE 40 - H ASP 56 lone 2 73 - 2 - HG3 ARG 57 - H ASP 56 lone 2 78 - 2 - HB2 MET 50 - H ASP 56 lone 2 99 - 2 - HB ILE 40 - H ALA 66 lone 2 38 - 4 - HG2 ARG 57 - H ASP 56 lone 1 73 - 2 - HD2 LYS 61 - H ALA 66 lone 1 40 - 3 - HD3 LYS 61 - H ALA 66 lone 1 40 - 3 - HD3 LYS 35 - H ASP 56 lone 1 65 - 1 - HD2 LYS 44 - H ALA 66 lone 1 40 - 1 - HD3 LYS 44 - H ALA 66 lone 1 38 - 1 - HG3 ARG 57 - H ALA 66 lone 0 41 - 1 - HG2 ARG 57 - H ALA 66 lone 0 38 - 1 - HD3 LYS 35 - H ALA 66 lone 0 33 - 1 - Peak 5886 from nnoeabs.peaks (1.43, 8.94, 123.86 ppm; 3.49 A): 6 out of 20 assignments used, quality = 0.91: HG3 LYS 61 + H ASP 56 OK 44 97 - 46 - 4.7/5873=10, 3.9/5883=7...(15) HG2 LYS 61 + H ASP 56 OK 44 96 - 46 - 4.7/5873=10, 3.9/5883=7...(15) HG3 LYS 63 + H ASP 56 OK 34 100 - 34 - 4.9/5970=9, ~7103=5...(12) HG2 LYS 63 + H ASP 56 OK 34 100 - 34 - 4.9/5970=9, ~7103=5...(12) QG2 THR 67 + H ALA 66 OK 20 44 - 46 - 3026/4.6=8, ~6076=8...(12) HG13 ILE 51 + H ALA 66 OK 20 62 - 32 - ~5716=8, ~6020=5...(11) HB ILE 51 - H ALA 66 OK 13 37 - 36 - ~5716=10, ~6020=7...(10) HG13 ILE 51 - H ASP 56 OK 13 100 - 13 - 1.8/250=4, 2515/3.6=2, 4.0/248=2 HG12 ILE 80 - H ALA 66 OK 13 44 - 29 - 6503/2.9=6, ~6504=5...(9) QG2 THR 67 - H ASP 56 OK 11 83 - 13 - 6058=2, 4.1/6167=2...(5) HD3 LYS 86 - H ASP 56 OK 10 97 - 11 - 3.0/849=3, 6666/3.0=1, ~6665=1 HB ILE 51 - H ASP 56 lone 6 71 - 9 - 3.0/250=3, 3.0/248=2 HG2 LYS 63 - H ALA 66 lone 6 62 - 10 - 6002/4.6=3, 4.9/5872=1 HG3 LYS 63 - H ALA 66 lone 6 62 - 10 - 6002/4.6=3, 4.9/5872=1 HG3 LYS 94 - H ASP 56 lone 3 98 - 3 - HG3 LYS 61 - H ALA 66 lone 3 56 - 5 - HG2 LYS 61 - H ALA 66 lone 3 55 - 5 - HG3 LYS 94 - H ALA 66 lone 2 58 - 4 - HG12 ILE 80 - H ASP 56 lone 2 83 - 2 - HD3 LYS 86 - H ALA 66 lone 1 56 - 3 - Peak 5887 from nnoeabs.peaks (0.84, 8.94, 123.86 ppm; 4.14 A): 10 out of 20 assignments used, quality = 0.89: QD2 LEU 62 + H ASP 56 OK 42 99 - 43 - 5870/4.1=14, 5960/3.6=13...(6) QG2 ILE 80 + H ALA 66 OK 27 62 - 44 - ~6501=5, 6026/2.9=5...(16) QG2 ILE 16 + H ALA 66 OK 25 51 - 49 - 2.1/4640=6, 5320=6...(15) QG1 VAL 18 + H ALA 66 OK 21 37 - 57 - 4703/3.6=13, 2.1/6033=10...(11) QG2 VAL 30 + H ALA 66 OK 15 62 - 25 - 6026/2.9=4, 6000/3.6=3...(9) QD1 ILE 51 + H ALA 66 OK 15 33 - 45 - ~5716=12, ~6020=8...(14) QG2 ILE 16 + H ASP 56 OK 14 92 - 15 - 2.1/5884=2, 5320=2...(6) QG2 VAL 30 + H ASP 56 OK 13 100 - 13 - 5870/4.1=4, 5871/4.6=3 QG1 VAL 30 + H ALA 66 OK 12 61 - 20 - 6026/2.9=3, 6000/3.6=3...(9) QG1 VAL 30 + H ASP 56 OK 10 100 - 10 - 5870/4.1=4, 5871/4.6=3 QD1 ILE 51 - H ASP 56 poor 9 65 - 14 - 2.1/250=4, 4.2/248=2...(4) QG2 ILE 37 - H ASP 56 lone 9 100 - 8 - 5870/4.1=1, 5286/4.0=1 QD2 LEU 62 - H ALA 66 poor 8 59 - 13 - 6003/4.6=2, 5052/5792=2...(4) QG2 ILE 37 - H ALA 66 lone 6 61 - 10 - 6100/4.6=1, 6026/2.9=1 QG2 VAL 25 - H ASP 56 lone 6 65 - 9 - 5870/4.1=4, 5871/4.6=2 QG1 VAL 18 - H ASP 56 lone 6 71 - 8 - 2.1/1387=2, 2.1/1377=2, 1382=1 QG2 ILE 80 - H ASP 56 lone 4 100 - 4 - QG2 ILE 40 - H ASP 56 lone 4 60 - 6 - 5870/4.1=1 QG2 VAL 25 - H ALA 66 poor 4 33 - 11 - 4904/2.9=3, 6003/4.6=2 QG2 ILE 40 - H ALA 66 lone 3 30 - 9 - ~6020=1 Peak 5898 from nnoeabs.peaks (3.09, 8.56, 117.38 ppm; 4.91 A): 0 out of 6 assignments used, low quality = 0.19: HB2 ASP 56 - H GLU 58 OK 19 81 - 24 - 5875/4.6=17, 5931/5927=7 HE3 LYS 41 - H GLU 58 lone 10 100 - 10 - 5908/4.6=4, 5931/5927=2 HB3 TRP 82 - H GLU 58 lone 9 100 - 9 - 4485/3.0=4, ~4483=2, 5908/4.6=2 HE3 LYS 77 - H GLU 58 lone 8 100 - 8 - 5908/4.6=2, 3.0/254=2, 3.0/252=1 HE2 LYS 77 - H GLU 58 lone 7 85 - 8 - 5908/4.6=2, 3.0/254=2, 3.0/252=1 HB2 TYR 33 - H GLU 58 lone 3 100 - 3 - Peak 5899 from nnoeabs.peaks (1.22, 8.56, 117.38 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.83: QG2 THR 59 + H GLU 58 OK 77 100 - 77 - 4.0/258=27, 5926=24...(9) HG13 ILE 16 + H GLU 58 OK 25 100 - 25 - 5900/4.0=6, 5901/4.0=6...(6) HB3 LYS 41 - H GLU 58 lone 6 65 - 9 - 4.8/5898=3, 5900/4.0=1...(4) HG3 LYS 86 - H GLU 58 lone 2 65 - 3 - Peak 5905 from nnoeabs.peaks (2.45, 8.06, 106.71 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.74: HB3 ASP 56 + H THR 59 OK 66 99 - 67 - 1.8/5875=33, 5879=29...(6) HE2 LYS 86 + H THR 59 OK 25 100 - 25 - 5879=10, 5917/4.0=8...(5) HG3 GLU 28 - H THR 59 lone 5 92 - 5 - 1.8/262=1, 5917/4.0=1 Peak 5908 from nnoeabs.peaks (3.08, 8.06, 106.71 ppm; 4.14 A): 2 out of 6 assignments used, quality = 0.66: HB2 ASP 56 + H THR 59 OK 59 96 - 63 - 5875=30, 1.8/5905=22...(7) HE3 LYS 41 + H THR 59 OK 16 97 - 16 - 5487/3.0=4, 5931/4.6=3...(6) HE3 LYS 77 - H THR 59 lone 8 98 - 8 - 5898/4.6=3, 5.6/5909=2 HE2 LYS 77 - H THR 59 lone 8 97 - 8 - 5898/4.6=2, 5.6/5909=2...(4) HB3 TRP 82 - H THR 59 lone 6 95 - 7 - 5898/4.6=3, 4485/3.6=2 HB2 TYR 33 - H THR 59 lone 3 96 - 3 - Peak 5909 from nnoeabs.peaks (3.77, 8.06, 106.71 ppm; 4.58 A): 1 out of 8 assignments used, quality = 0.50: HA2 GLY 60 + H THR 59 OK 50 100 - 51 - 3.0/264=37, 3.6/5939=18...(4) HA LYS 77 - H THR 59 poor 9 76 - 11 - 3.0/1177=4, 5.6/5908=2...(4) HD2 PRO 92 - H THR 59 poor 8 71 - 12 - 4.8/5922=9 HA2 GLY 22 - H THR 59 lone 8 99 - 8 - 4828/5.0=4, 4828/262=1 HA ILE 40 - H THR 59 lone 2 76 - 3 - HA VAL 30 - H THR 59 lone 2 78 - 3 - HA2 GLY 64 - H THR 59 lone 1 73 - 2 - HB3 SER 11 - H THR 59 lone 1 83 - 1 - Peak 5922 from nnoeabs.peaks (7.77, 8.06, 106.71 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.88: H LYS 61 + H THR 59 OK 74 95 - 78 - 4.6/264=29, 5939=28...(8) H ASN 91 + H THR 59 OK 53 99 - 53 - 5923/3.0=22, 5939=10...(9) Peak 5927 from nnoeabs.peaks (8.56, 8.43, 111.14 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.59: H GLU 58 + H GLY 60 OK 59 100 - 59 - 258/4.6=23, 3.6/5929=17...(8) H LEU 53 - H GLY 60 poor 8 76 - 10 - 3.0/7149=2, 5926/4.2=2...(5) Peak 5928 from nnoeabs.peaks (8.95, 8.43, 111.14 ppm; 4.85 A): 1 out of 4 assignments used, quality = 0.58: H ASP 56 + H GLY 60 OK 58 96 - 61 - 4.0/5874=21, 4.1/5936=20...(5) H VAL 18 - H GLY 60 lone 8 87 - 9 - 5938/4.6=2, 4684/4.6=1 H PHE 70 - H GLY 60 lone 7 99 - 7 - 5938/4.6=2, 1114=1 H SER 96 - H GLY 60 lone 3 68 - 4 - Peak 5929 from nnoeabs.peaks (4.04, 8.43, 111.14 ppm; 4.29 A): 0 out of 3 assignments used, low quality = 0.44: HA ARG 57 - H GLY 60 OK 34 78 - 44 - 3.6/5927=25, 5894=16...(5) HA LYS 41 - H GLY 60 OK 14 92 - 15 - 3.0/267=4, 5470/3.0=3...(5) HA SER 75 - H GLY 60 lone 3 73 - 4 - 2.9/264=3 Peak 5931 from nnoeabs.peaks (3.08, 8.43, 111.14 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.74: HB2 ASP 56 + H GLY 60 OK 69 99 - 70 - 5874=26, 1.8/5932=20...(9) HE3 LYS 41 + H GLY 60 OK 17 92 - 18 - 6.2/5929=3, 5908/4.6=3...(8) HE2 LYS 41 - H GLY 60 poor 8 65 - 11 - 6.2/5929=3, 4.8/267=2...(4) HE2 LYS 77 - H GLY 60 lone 5 100 - 5 - 5908/4.6=2 HE3 LYS 77 - H GLY 60 lone 5 93 - 5 - 5908/4.6=2, 5898/5927=1 HB2 TYR 33 - H GLY 60 lone 5 89 - 5 - HB3 TRP 82 - H GLY 60 lone 4 87 - 4 - 5908/4.6=1, 5898/5927=1 Peak 5932 from nnoeabs.peaks (2.44, 8.43, 111.14 ppm; 4.58 A): 2 out of 4 assignments used, quality = 0.80: HB3 ASP 56 + H GLY 60 OK 72 100 - 73 - 1.8/5874=28, 5877=24...(7) HE2 LYS 86 + H GLY 60 OK 29 100 - 29 - 5877=9, 5917/4.2=7...(7) HG2 GLN 36 - H GLY 60 lone 5 78 - 6 - 7180/4.4=2, 5917/4.2=2 HG3 GLU 28 - H GLY 60 lone 3 76 - 4 - 5905/4.6=1, 5917/4.2=1 Peak 5933 from nnoeabs.peaks (2.14, 8.43, 111.14 ppm; 4.99 A): 3 out of 7 assignments used, quality = 0.86: HB3 GLU 58 + H GLY 60 OK 61 96 - 65 - 4.6/264=30, 4.0/5927=29...(5) HB2 GLU 58 + H GLY 60 OK 61 95 - 64 - 4.6/264=30, 4.0/5927=29...(5) HB3 LYS 35 + H GLY 60 OK 11 90 - 12 - 4442/4.4=4, 5919/4.2=3...(4) HB2 PRO 73 - H GLY 60 lone 4 85 - 5 - 261/4.6=2 HB3 PRO 92 - H GLY 60 lone 4 71 - 5 - HG3 GLU 65 - H GLY 60 lone 3 99 - 3 - HG3 PRO 92 - H GLY 60 lone 3 60 - 4 - Peak 5934 from nnoeabs.peaks (1.68, 8.43, 111.14 ppm; 4.73 A): 7 out of 20 assignments used, quality = 0.94: HB3 LYS 61 + H GLY 60 OK 41 87 - 48 - 3.6/1104=27, 3.0/266=7...(8) HG3 ARG 57 + H GLY 60 OK 41 100 - 41 - 4.9/5927=22, 3.9/5929=20 HG2 ARG 57 + H GLY 60 OK 40 99 - 41 - 4.9/5927=22, 3.9/5929=20 HD3 LYS 61 + H GLY 60 OK 37 100 - 38 - 6.0/1104=15, 5912/4.4=5...(7) HD2 LYS 61 + H GLY 60 OK 37 100 - 38 - 6.0/1104=15, 5912/4.4=5...(7) HD3 LYS 63 + H GLY 60 OK 13 100 - 13 - 2814/4.6=2, 5912/4.4=2...(5) HD3 LYS 35 + H GLY 60 OK 12 98 - 12 - 5240/4.4=5, 5920/4.2=3 HD2 LYS 94 - H GLY 60 lone 7 100 - 7 - 5920/4.2=1, 5912/4.4=1...(4) HD3 LYS 94 - H GLY 60 lone 7 100 - 7 - 5920/4.2=1, 5912/4.4=1...(4) HD2 LYS 44 - H GLY 60 lone 5 100 - 5 - 2814/4.6=1 HD3 LYS 44 - H GLY 60 lone 5 99 - 5 - 2814/4.6=1 HD2 LYS 77 - H GLY 60 lone 5 68 - 7 - 3.0/5931=2, 3.0/5931=2 QB ALA 79 - H GLY 60 lone 5 99 - 5 - HB ILE 40 - H GLY 60 lone 5 99 - 4 - HB2 MET 50 - H GLY 60 lone 4 68 - 5 - HG12 ILE 27 - H GLY 60 lone 3 87 - 3 - HG12 ILE 39 - H GLY 60 lone 3 90 - 3 - HD3 LYS 45 - H GLY 60 lone 2 71 - 2 - HD2 LYS 45 - H GLY 60 lone 1 65 - 2 - HG3 GLN 19 - H GLY 60 lone 1 60 - 2 - Peak 5935 from nnoeabs.peaks (1.45, 8.43, 111.14 ppm; 4.81 A): 9 out of 13 assignments used, quality = 0.89: HG13 ILE 51 + H GLY 60 OK 34 93 - 36 - 1.8/5936=13, 3.2/5705=6...(6) HB ILE 51 + H GLY 60 OK 32 97 - 33 - 3.0/5936=10, 2.1/5705=8...(7) HG3 LYS 61 + H GLY 60 OK 32 68 - 47 - 4.7/1104=22, 3.9/266=6...(9) HG2 LYS 61 + H GLY 60 OK 30 65 - 46 - 4.7/1104=22, 3.9/266=6...(9) HB2 LYS 41 + H GLY 60 OK 21 78 - 26 - 3.0/5929=11, 1.8/267=5...(7) QG2 THR 67 + H GLY 60 OK 13 100 - 12 - 4.1/264=3, 3026=3, 4280/4.6=1 HD3 LYS 86 + H GLY 60 OK 11 68 - 16 - 3.0/5932=9, 3.0/267=2...(4) HG3 LYS 63 + H GLY 60 OK 10 93 - 11 - 5911/4.4=2, 5921/4.2=2...(6) HG2 LYS 63 + H GLY 60 OK 10 93 - 11 - 5911/4.4=2, 5921/4.2=2...(6) HG3 LYS 94 - H GLY 60 lone 6 99 - 6 - QB ALA 31 - H GLY 60 lone 4 90 - 4 - HG12 ILE 80 - H GLY 60 lone 4 100 - 4 - HG2 LYS 44 - H GLY 60 lone 3 71 - 3 - Peak 5936 from nnoeabs.peaks (1.04, 8.43, 111.14 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.83: QG2 THR 55 + H GLY 60 OK 76 99 - 77 - 5854=30, 5937/3.0=22...(8) HG12 ILE 51 + H GLY 60 OK 32 81 - 39 - 5937/3.0=8, 5583/3.0=8...(9) Peak 5938 from nnoeabs.peaks (8.96, 7.76, 119.54 ppm; 4.14 A): 2 out of 8 assignments used, quality = 0.74: H ASP 56 + H LYS 61 OK 70 95 - 75 - 5873=29, 4.0/5876=17...(12) H ASP 56 + H ASN 91 OK 13 49 - 26 - 5873=9, 4.0/5876=7...(5) H VAL 18 - H LYS 61 lone 6 85 - 7 - 5928/4.6=2, 5940/2.9=1 H PHE 70 - H LYS 61 lone 6 99 - 6 - 5928/4.6=2 H SER 96 - H LYS 61 lone 3 65 - 4 - H PHE 70 - H ASN 91 lone 2 54 - 4 - H VAL 18 - H ASN 91 lone 1 41 - 2 - H SER 96 - H ASN 91 lone 0 30 - 2 - Peak 5939 from nnoeabs.peaks (8.06, 7.76, 119.54 ppm; 4.47 A): 3 out of 6 assignments used, quality = 0.82: H THR 59 + H LYS 61 OK 72 100 - 72 - 264/4.6=25, 5922=21...(8) H THR 59 + H ASN 91 OK 26 55 - 47 - 5922=15, 3.0/5923=9...(9) H SER 75 + H LYS 61 OK 14 100 - 14 - 336/3.6=3, 6354/4.7=2...(4) H VAL 68 - H LYS 61 lone 5 68 - 7 - 264/4.6=2 H SER 75 - H ASN 91 lone 3 56 - 5 - 6348/5.7=2 H VAL 68 - H ASN 91 lone 1 31 - 3 - Peak 5941 from nnoeabs.peaks (3.08, 7.76, 119.54 ppm; 3.65 A): 2 out of 14 assignments used, quality = 0.65: HB2 ASP 56 + H LYS 61 OK 59 99 - 60 - 5876=25, 1.8/5942=19...(8) HB2 ASP 56 + H ASN 91 OK 14 54 - 26 - 5876=10, 1.8/5878=7...(7) HE3 LYS 41 - H LYS 61 lone 7 92 - 7 - 5931/4.6=2 HE2 LYS 77 - H LYS 61 lone 3 100 - 3 - HE2 LYS 41 - H LYS 61 lone 3 65 - 4 - 5931/4.6=1 HB2 TYR 33 - H LYS 61 lone 3 89 - 3 - HE3 LYS 77 - H LYS 61 lone 3 93 - 3 - HB3 TRP 82 - H LYS 61 lone 2 87 - 3 - HE2 LYS 77 - H ASN 91 lone 2 55 - 3 - HE3 LYS 77 - H ASN 91 lone 1 48 - 3 - HE3 LYS 41 - H ASN 91 lone 1 47 - 2 - HB2 TYR 33 - H ASN 91 lone 0 44 - 1 - HB3 TRP 82 - H ASN 91 lone 0 43 - 1 - HE2 LYS 41 - H ASN 91 lone 0 30 - 1 - Peak 5942 from nnoeabs.peaks (2.46, 7.76, 119.54 ppm; 4.01 A): 3 out of 6 assignments used, quality = 0.75: HB3 ASP 56 + H LYS 61 OK 63 95 - 67 - 1.8/5876=26, 5878=21...(13) HE2 LYS 86 + H LYS 61 OK 23 98 - 23 - 5878=6, 5932/4.6=4...(9) HB3 ASP 56 + H ASN 91 OK 15 49 - 29 - 1.8/5876=11, 5878=9...(7) HE2 LYS 86 - H ASN 91 lone 4 53 - 7 - 5878=2 HG3 GLU 28 - H LYS 61 lone 2 97 - 2 - HG3 GLU 28 - H ASN 91 lone 1 52 - 1 - Peak 5943 from nnoeabs.peaks (1.22, 7.76, 119.54 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.77: QG2 THR 59 + H LYS 61 OK 69 99 - 70 - 2.1/5924=26, 4.2/1104=21...(11) QG2 THR 59 + H ASN 91 OK 24 55 - 43 - 2.1/5924=13, 5925=12...(6) HB3 LYS 41 - H LYS 61 lone 7 78 - 9 - 267/4.6=2, 4.8/5941=2 HG13 ILE 16 - H LYS 61 lone 5 100 - 5 - 267/4.6=2, 859/5939=1 HG13 ILE 16 - H ASN 91 lone 1 56 - 3 - HB3 LYS 41 - H ASN 91 lone 1 37 - 3 - Peak 5944 from nnoeabs.peaks (1.22, 7.75, 119.54 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.75: QG2 THR 59 + H LYS 61 OK 68 98 - 70 - 2.1/5924=26, 4.2/1104=21...(11) QG2 THR 59 + H ASN 91 OK 20 49 - 41 - 2.1/5924=13, 5925=12...(6) HB3 LYS 41 - H LYS 61 lone 7 76 - 9 - 267/4.6=2, 4.8/5941=2 HG13 ILE 16 - H LYS 61 lone 5 99 - 5 - 267/4.6=2, 859/5939=1 HG13 ILE 16 - H ASN 91 lone 1 50 - 2 - HB3 LYS 41 - H ASN 91 lone 1 33 - 3 - Peak 5945 from nnoeabs.peaks (1.04, 7.76, 119.54 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.91: QG2 THR 55 + H LYS 61 OK 87 99 - 88 - 5856=25, 5853/4.5=22...(18) HG12 ILE 51 + H LYS 61 OK 21 81 - 26 - 5937/3.6=7, 5583/3.6=7...(6) QG2 THR 55 + H ASN 91 OK 11 53 - 20 - 4.1/5873=6, 5856=5...(6) HG12 ILE 51 - H ASN 91 lone 2 39 - 5 - 5936/1104=1, 3.2/6776=1 Peak 5946 from nnoeabs.peaks (4.13, 8.77, 122.41 ppm; 4.67 A): 4 out of 8 assignments used, quality = 0.83: HA GLU 23 + H LEU 62 OK 62 96 - 65 - 4852=34, 4862/4.5=18...(6) HA GLN 36 + H LEU 62 OK 31 100 - 31 - 4852=9, 5949/3.6=7...(6) HA3 GLY 22 + H LEU 62 OK 26 87 - 30 - 5952/3.6=7, 5949/3.6=7...(7) HA VAL 25 + H LEU 62 OK 12 76 - 16 - 5954/4.5=5, 5953/5.0=4...(5) HB2 SER 96 - H LEU 62 poor 10 87 - 11 - 5949/3.6=2, 5952/3.6=2...(5) HB THR 15 - H LEU 62 lone 7 100 - 6 - 5949/3.6=1, 5952/3.6=1 HB THR 67 - H LEU 62 lone 6 71 - 8 - ~6079=2, 5949/3.6=2...(4) HA THR 99 - H LEU 62 lone 4 96 - 4 - Peak 5970 from nnoeabs.peaks (8.96, 8.00, 118.02 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.65: H ASP 56 + H LYS 63 OK 61 93 - 65 - 5872=28, 3.6/7053=21...(9) H PHE 70 + H LYS 63 OK 12 99 - 11 - 3.0/7053=5, 5940/3.6=1 H VAL 18 - H LYS 63 lone 6 83 - 7 - 5940/3.6=2, 5976/4.9=1 H SER 96 - H LYS 63 lone 4 63 - 7 - 4.2/287=2, 5940/3.6=1 Peak 5971 from nnoeabs.peaks (7.17, 8.00, 118.02 ppm; 4.60 A): 4 out of 5 assignments used, quality = 0.86: H GLU 65 + H LYS 63 OK 52 85 - 61 - 298/4.7=17, 6013=16...(12) QD TYR 54 + H LYS 63 OK 45 98 - 46 - 5972/3.0=11, 5974/3.9=9...(8) QE PHE 97 + H LYS 63 OK 29 100 - 29 - 5972/3.0=6, 5974/3.9=5...(9) HZ PHE 97 + H LYS 63 OK 26 95 - 27 - 5972/3.0=5, 5973/3.9=5...(9) HH2 TRP 82 - H LYS 63 lone 1 60 - 2 - Peak 5977 from nnoeabs.peaks (1.04, 8.00, 118.02 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.71: QG2 THR 55 + H LYS 63 OK 66 95 - 70 - 5855=22, 3.2/7053=20...(12) HG12 ILE 51 + H LYS 63 OK 16 68 - 23 - 4.0/7053=7, 1.8/884=3...(11) Peak 5983 from nnoeabs.peaks (4.35, 8.33, 108.30 ppm; 4.58 A): 3 out of 7 assignments used, quality = 0.70: HA LEU 62 + H GLY 64 OK 57 95 - 60 - 3.6/1107=21, 3.0/5964=15...(11) HA PHE 34 + H GLY 64 OK 18 87 - 20 - 3.0/288=8, ~1163=4...(4) HA LYS 61 + H GLY 64 OK 17 100 - 17 - 282/4.7=8, 3.9/293=2...(4) HA TRP 82 - H GLY 64 lone 4 96 - 4 - HA ALA 98 - H GLY 64 lone 4 81 - 4 - ~5980=1, ~5981=1 HB THR 59 - H GLY 64 lone 2 65 - 3 - HA SER 11 - H GLY 64 lone 1 99 - 1 - Peak 5989 from nnoeabs.peaks (1.16, 8.33, 108.30 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.95: HB2 LEU 21 + H GLY 64 OK 77 99 - 78 - 5984/3.0=17, 5988/3.0=15...(16) HB3 LEU 21 + H GLY 64 OK 77 99 - 78 - 5984/3.0=17, 5988/3.0=15...(16) HG13 ILE 37 - H GLY 64 OK 21 90 - 22 - 1943/3.0=3, 3.2/5991=3...(10) HG13 ILE 27 - H GLY 64 OK 11 100 - 10 - 5984/3.0=2, 5988/3.0=2 QG2 THR 15 - H GLY 64 lone 6 99 - 6 - 5984/3.0=2, 5988/3.0=2 Peak 5990 from nnoeabs.peaks (1.02, 8.33, 108.30 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 62 + H GLY 64 OK 53 85 - 63 - 3.1/5964=16, 4.0/5983=15...(12) HG12 ILE 51 + H GLY 64 OK 46 100 - 47 - 5719/3.0=8, 2.1/7035=7...(13) QG2 THR 55 + H GLY 64 OK 33 96 - 35 - 5855/4.7=15, 5868/4.7=6...(8) Peak 5991 from nnoeabs.peaks (0.82, 8.33, 108.30 ppm; 4.18 A): 7 out of 8 assignments used, quality = 0.91: QG2 VAL 25 + H GLY 64 OK 55 99 - 56 - 2.1/4881=18, ~4905=11...(12) QD2 LEU 62 + H GLY 64 OK 55 95 - 59 - 3.1/5964=13, 4.0/5983=12...(15) QG1 VAL 30 + H GLY 64 OK 20 90 - 22 - 3.2/4423=4, 3.9/1144=3...(6) QG2 VAL 30 + H GLY 64 OK 18 78 - 23 - 3.2/4423=4, 3.9/1144=3...(6) QG2 ILE 37 + H GLY 64 OK 14 73 - 19 - 3.2/5989=3, 2.1/290=2...(7) QG2 ILE 40 + H GLY 64 OK 12 98 - 12 - 3.3/5398=3, 5995/3.0=1...(4) QG2 ILE 16 + H GLY 64 OK 10 100 - 10 - 6003/4.6=2, 286/4.7=1 QG2 ILE 80 - H GLY 64 poor 9 85 - 11 - ~5997=2, ~5994=2, 6003/4.6=2 Peak 6002 from nnoeabs.peaks (1.44, 7.15, 115.91 ppm; 4.80 A): 7 out of 12 assignments used, quality = 0.87: HG2 LYS 63 + H GLU 65 OK 46 98 - 47 - 2.9/6004=15, 2.9/5973=11...(8) HG3 LYS 63 + H GLU 65 OK 46 98 - 47 - 2.9/6004=15, 2.9/5973=11...(8) QG2 THR 67 + H GLU 65 OK 19 97 - 20 - 6058/4.6=7, 6069=2...(6) HG13 ILE 51 + H GLU 65 OK 17 98 - 18 - 5720/3.6=6, 292/4.6=3...(6) HG3 LYS 94 + H GLU 65 OK 15 100 - 15 - 2.9/6004=6, 3884/4.6=3 HG12 ILE 80 + H GLU 65 OK 12 97 - 12 - 3.2/6003=3, ~6000=2...(4) HB ILE 51 + H GLU 65 OK 11 92 - 12 - 292/4.6=2, 5886/4.6=1...(5) QB ALA 31 - H GLU 65 lone 8 81 - 10 - 3.5/298=2, 4112/4.6=2 HD3 LYS 86 - H GLU 65 lone 7 81 - 9 - 1.8/6004=2, 5.7/6013=2 HG3 LYS 61 - H GLU 65 lone 5 81 - 7 - 293/4.6=2 HG2 LYS 61 - H GLU 65 lone 5 78 - 7 - 292/4.6=2 HB2 LYS 41 - H GLU 65 lone 2 65 - 3 - Peak 6003 from nnoeabs.peaks (0.83, 7.15, 115.91 ppm; 5.24 A): 7 out of 8 assignments used, quality = 0.83: QG2 VAL 30 + H GLU 65 OK 27 89 - 31 - 2.1/897=7, 6000/3.0=5...(9) QD2 LEU 62 + H GLU 65 OK 27 99 - 28 - 5991/4.6=9, 3.1/6004=7...(5) QG1 VAL 30 + H GLU 65 OK 27 97 - 28 - 2.1/897=7, 6000/3.0=5...(7) QG2 VAL 25 + H GLU 65 OK 26 96 - 27 - 5991/4.6=9, 5995/3.6=6...(6) QG2 ILE 16 + H GLU 65 OK 20 100 - 20 - 4622/3.0=7, 5320/4.6=5...(4) QG2 ILE 80 + H GLU 65 OK 17 93 - 18 - 6542/4.6=7, 6000/3.0=3...(5) QG2 ILE 40 + H GLU 65 OK 11 93 - 12 - 5991/4.6=2, ~5998=1...(5) QG2 ILE 37 - H GLU 65 lone 7 85 - 8 - 5991/4.6=2, 6000/3.0=1 Peak 6004 from nnoeabs.peaks (1.54, 7.15, 115.91 ppm; 4.36 A): 3 out of 11 assignments used, quality = 0.77: HB3 LYS 63 + H GLU 65 OK 60 97 - 63 - 4.7/298=19, 5974=13...(11) HB3 LEU 62 + H GLU 65 OK 26 93 - 28 - 4.4/6013=10, 5965/4.6=7...(5) HB3 LYS 94 + H GLU 65 OK 23 100 - 23 - 7114/3.7=6, 6866/4.8=4...(8) HD2 LYS 86 - H GLU 65 lone 8 100 - 8 - 5.7/6013=1, 7114/3.7=1 HG13 ILE 93 - H GLU 65 lone 6 85 - 8 - 291/4.6=2, 5987/3.6=2 HB3 GLU 87 - H GLU 65 lone 5 85 - 6 - 3.0/897=2, 7114/3.7=1, ~2986=1 HB3 PRO 49 - H GLU 65 lone 5 76 - 7 - 7114/3.7=1, 1.8/897=1 HG2 LYS 77 - H GLU 65 lone 5 63 - 7 - 2.9/7124=1, 3.8/7211=1 HG3 LYS 77 - H GLU 65 lone 4 60 - 6 - 2.9/7124=1, 3.8/7211=1 HG3 LYS 44 - H GLU 65 lone 3 93 - 4 - HG2 LYS 45 - H GLU 65 lone 3 71 - 4 - Peak 6013 from nnoeabs.peaks (8.01, 7.15, 115.91 ppm; 4.77 A): 4 out of 4 assignments used, quality = 0.84: H LYS 63 + H GLU 65 OK 63 97 - 65 - 4.7/298=23, 5971=13...(12) H GLY 22 + H GLU 65 OK 40 97 - 41 - 4835/3.6=15, 5979/3.6=13...(6) H PHE 34 + H GLU 65 OK 21 83 - 25 - 5979/3.6=8, 288/4.6=6...(5) H LYS 86 + H GLU 65 OK 12 100 - 12 - 5979/3.6=3, 288/4.6=2 Peak 6032 from nnoeabs.peaks (0.86, 8.92, 123.68 ppm; 4.13 A): 6 out of 18 assignments used, quality = 0.95: QG1 VAL 18 + H ALA 66 OK 71 99 - 72 - 2.1/6033=28, 4703/3.6=19...(14) QD1 ILE 51 + H ALA 66 OK 44 97 - 45 - ~5716=12, ~6020=8...(16) QG2 ILE 80 + H ALA 66 OK 41 87 - 47 - 6542=9, ~6501=5...(15) QG2 VAL 30 + H ALA 66 OK 24 92 - 26 - 2.1/305=5, 6000/3.6=3...(9) QG1 VAL 30 + H ALA 66 OK 16 81 - 20 - 2.1/305=5, 6000/3.6=3...(7) QD2 LEU 62 + H ASP 56 OK 11 38 - 30 - 5870/4.1=10, 5960/3.6=9...(5) QG2 ILE 37 - H ALA 66 lone 9 95 - 9 - 6100/4.6=1 QD2 LEU 62 - H ALA 66 poor 8 73 - 10 - 5052/5792=1, 6000/3.6=1...(4) QG1 VAL 18 - H ASP 56 lone 6 59 - 10 - 2.1/6033=4, 1382=2, 2.1/6035=1 QD1 ILE 51 - H ASP 56 lone 6 57 - 10 - 2522/3.6=3, 2.1/250=2 QG2 VAL 30 - H ASP 56 lone 5 51 - 9 - 5870/4.1=3, 5871/4.6=2 QG1 VAL 30 - H ASP 56 lone 3 43 - 7 - 5870/4.1=3, 5871/4.6=2 QG2 ILE 37 - H ASP 56 lone 3 54 - 5 - 5286/4.0=1 QG2 THR 42 - H ALA 66 lone 3 95 - 3 - QG2 THR 42 - H ASP 56 lone 2 54 - 4 - 5497/4.6=2 QG2 ILE 39 - H ALA 66 lone 2 73 - 2 - QG2 ILE 80 - H ASP 56 lone 1 47 - 3 - QG2 ILE 39 - H ASP 56 lone 0 38 - 1 - Peak 6033 from nnoeabs.peaks (0.67, 8.92, 123.68 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.68: QG2 VAL 18 + H ALA 66 OK 68 100 - 69 - 2.1/6035=16, 6912/2.9=13...(19) QG2 VAL 18 - H ASP 56 poor 9 62 - 13 - 1387=2, 4670/6051=2...(4) Peak 6034 from nnoeabs.peaks (0.30, 8.92, 123.68 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.83: QD1 LEU 21 + H ALA 66 OK 63 92 - 69 - 4792/3.0=19, 4821/2.9=18...(15) QG2 VAL 68 + H ALA 66 OK 53 100 - 53 - 6029/2.9=12, 6022/3.0=11...(13) QG2 VAL 68 - H ASP 56 poor 7 62 - 12 - 7116/3.6=3, 6173=2, 2.1/6177=2 QD1 LEU 21 - H ASP 56 lone 3 51 - 6 - Peak 6035 from nnoeabs.peaks (1.64, 8.92, 123.68 ppm; 3.80 A): 4 out of 18 assignments used, quality = 0.81: HB VAL 18 + H ALA 66 OK 62 100 - 62 - 2.1/6033=23, 4714/2.9=13...(11) HG3 GLN 19 + H ALA 66 OK 38 100 - 39 - 1.8/303=9, 4.1/7141=8...(10) QB ALA 79 + H ALA 66 OK 11 68 - 16 - 6475/2.9=5, 6492/6033=4 HG12 ILE 40 + H ALA 66 OK 10 100 - 10 - 6036/2.9=2, 5998/3.6=1...(5) HB3 LYS 61 - H ASP 56 poor 10 50 - 20 - 3.6/5873=6, 3.0/5883=4...(7) HG12 ILE 27 - H ALA 66 lone 7 90 - 8 - 6036/2.9=3, 5998/3.6=1 HB VAL 18 - H ASP 56 lone 6 61 - 9 - 2.1/6033=3, 1377=2, 2.1/1382=1 HB3 LYS 61 - H ALA 66 lone 5 90 - 5 - HB2 MET 50 - H ALA 66 lone 4 99 - 4 - 6036/2.9=1 HD3 LYS 41 - H ALA 66 lone 3 90 - 3 - HD2 LYS 41 - H ALA 66 lone 3 90 - 3 - HG3 GLN 19 - H ASP 56 lone 2 61 - 3 - HG12 ILE 40 - H ASP 56 lone 2 62 - 3 - QB ALA 79 - H ASP 56 lone 1 35 - 2 - HG12 ILE 27 - H ASP 56 lone 1 50 - 2 - HB2 MET 50 - H ASP 56 lone 1 59 - 1 - HD2 LYS 41 - H ASP 56 lone 1 50 - 1 - HD3 LYS 41 - H ASP 56 lone 1 50 - 1 - Peak 6050 from nnoeabs.peaks (7.03, 8.92, 123.68 ppm; 5.01 A): 5 out of 14 assignments used, quality = 0.93: HZ PHE 17 + H ALA 66 OK 72 100 - 72 - 4783/5.0=20, 4788/4.4=16...(13) QE PHE 17 + H ALA 66 OK 55 87 - 63 - 5.6/6051=18, 6010/4.4=12...(11) HE22 GLN 19 + H ALA 66 OK 30 76 - 41 - 3.5/303=10, 5.6/7141=10...(9) QD PHE 70 + H ALA 66 OK 14 85 - 17 - 4709=5, 6008/3.6=3...(6) HZ3 TRP 82 + H ALA 66 OK 11 100 - 10 - 6008/3.6=2, 6009/4.4=2...(6) HD22 ASN 91 - H ALA 66 lone 8 100 - 7 - 6008/3.6=1, 6009/4.4=1 HD21 ASN 13 - H ALA 66 lone 7 95 - 8 - 4517/6986=2, 6008/3.6=1 HZ PHE 17 - H ASP 56 poor 7 62 - 11 - 7.2/6051=2, 3.8/4648=2...(4) QE PHE 17 - H ASP 56 poor 6 47 - 13 - 5.6/6051=3, 2.2/4648=3...(4) QD PHE 70 - H ASP 56 lone 3 46 - 7 - 4709=3 HD22 ASN 91 - H ASP 56 lone 3 62 - 5 - 5.7/5873=2 HE22 GLN 19 - H ASP 56 lone 2 40 - 4 - HZ3 TRP 82 - H ASP 56 lone 2 61 - 2 - HD21 ASN 13 - H ASP 56 lone 2 54 - 3 - Peak 6051 from nnoeabs.peaks (5.41, 8.92, 123.68 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.68: HA PHE 17 + H ALA 66 OK 64 99 - 65 - 4668/2.9=13...(19) HA PHE 17 + H ASP 56 OK 11 60 - 17 - 4053=2, 2.9/1069=2...(6) HA ASP 72 - H ALA 66 lone 3 68 - 5 - 4704/6033=1 HA ASP 72 - H ASP 56 lone 1 35 - 2 - Peak 6060 from nnoeabs.peaks (7.17, 8.43, 108.09 ppm; 4.41 A): 3 out of 6 assignments used, quality = 0.92: QD TYR 54 + H THR 67 OK 89 100 - 89 - 4694=36, 4698/3.6=35...(13) H GLU 65 + H THR 67 OK 17 63 - 27 - 4.6/307=11, 6044/3.6=8...(5) QE PHE 97 + H THR 67 OK 11 99 - 11 - 6047/3.5=3, 6044/3.6=3...(4) HZ PHE 97 - H THR 67 lone 6 78 - 8 - 6044/3.6=2, 6047/3.5=2 HD22 ASN 43 - H THR 67 lone 4 71 - 6 - 1.7/6070=3, 6069/4.0=2 H LYS 77 - H THR 67 lone 2 71 - 3 - Peak 6061 from nnoeabs.peaks (6.85, 8.43, 108.09 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.88: QE TYR 54 + H THR 67 OK 83 100 - 84 - 4696=35, 2.2/4694=22...(11) H VAL 25 + H THR 67 OK 28 99 - 29 - 3.9/4882=12, 6068/4.0=4...(6) QE PHE 34 - H THR 67 poor 8 57 - 14 - 4688/3.5=4, 6043/3.6=3...(4) HZ PHE 70 - H THR 67 lone 6 68 - 8 - 6068/4.0=2, 1544/4882=1 Peak 6070 from nnoeabs.peaks (7.65, 8.43, 108.09 ppm; 5.00 A): 4 out of 6 assignments used, quality = 0.89: H TYR 54 + H THR 67 OK 76 97 - 78 - 5845/3.6=35, 4.6/4694=22...(7) H SER 69 + H THR 67 OK 37 68 - 55 - 4.3/6105=19, 4.6/310=15...(11) H GLN 48 + H THR 67 OK 17 100 - 16 - 6042/3.5=3, 6045/3.6=3...(4) HD21 ASN 43 + H THR 67 OK 12 100 - 12 - 6065/4.0=2, 6045/3.6=2...(4) HD22 ASN 24 - H THR 67 lone 8 78 - 10 - 4.4/6071=4, ~6085=1, 4223/6104=1 HE22 GLN 36 - H THR 67 lone 3 76 - 3 - Peak 6071 from nnoeabs.peaks (4.94, 8.43, 108.09 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.87: HA VAL 18 + H THR 67 OK 56 85 - 65 - ~4698=23, ~6106=19...(9) HA ASN 52 + H THR 67 OK 55 100 - 56 - 3.0/6084=20, 3.0/6084=20...(7) HA ASN 24 + H THR 67 OK 21 99 - 21 - 3.6/6061=8, 4887/4882=5...(6) HA VAL 95 + H THR 67 OK 16 78 - 21 - 3.2/309=7, 3.6/307=6...(4) HA LYS 35 - H THR 67 lone 5 71 - 7 - 5799/6104=2, 5715/6103=1...(4) Peak 6072 from nnoeabs.peaks (4.71, 8.43, 108.09 ppm; 4.40 A): 3 out of 5 assignments used, quality = 0.79: HA LEU 53 + H THR 67 OK 69 99 - 70 - 7150/3.6=35, 4.0/6104=26...(6) HA SER 96 + H THR 67 OK 20 97 - 21 - 3.0/307=5, 6037/3.6=4...(5) HA THR 26 + H THR 67 OK 15 97 - 16 - 4929/4882=4, 6037/3.6=3...(5) HB THR 26 - H THR 67 lone 7 73 - 10 - 2575/6104=2, 6037/3.6=2...(4) HA GLU 87 - H THR 67 lone 6 99 - 5 - 6037/3.6=1, 6041/3.5=1 Peak 6084 from nnoeabs.peaks (2.60, 8.43, 108.09 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.79: HB3 ASN 52 + H THR 67 OK 55 99 - 55 - 7094=21, 1.8/7094=16...(10) HB2 ASN 52 + H THR 67 OK 54 98 - 55 - 7094=21, 1.8/7094=16...(10) HB2 ASP 71 - H THR 67 lone 9 93 - 9 - 6090/4.0=2, 6087/3.9=2...(4) HB3 ASP 32 - H THR 67 lone 2 81 - 2 - HB3 ASP 12 - H THR 67 lone 1 76 - 1 - HB3 ASP 81 - H THR 67 lone 0 57 - 1 - Peak 6099 from nnoeabs.peaks (1.16, 8.43, 108.09 ppm; 4.89 A): 4 out of 5 assignments used, quality = 0.97: QG2 THR 15 + H THR 67 OK 75 99 - 76 - 4553/3.0=41, 4547/4.6=24...(9) HB2 LEU 21 + H THR 67 OK 52 99 - 52 - 3.1/6105=15, 6096/3.0=8...(11) HB3 LEU 21 + H THR 67 OK 51 99 - 52 - 3.1/6105=15, 6096/3.0=8...(11) HG13 ILE 27 + H THR 67 OK 48 100 - 47 - 4976/6104=13, 2.1/309=7...(12) HG13 ILE 37 - H THR 67 OK 19 90 - 21 - 6112/4.6=6, 6096/3.0=3...(7) Peak 6100 from nnoeabs.peaks (0.86, 8.43, 108.09 ppm; 4.59 A): 7 out of 9 assignments used, quality = 0.93: QG1 VAL 18 + H THR 67 OK 58 98 - 60 - ~6106=21, ~4706=20...(10) QD1 ILE 51 + H THR 67 OK 52 97 - 54 - 3.2/6103=21...(10) QG2 VAL 30 + H THR 67 OK 29 93 - 31 - 5052/6104=9, 5051/6103=3...(10) QG2 ILE 80 + H THR 67 OK 19 89 - 22 - 6542/4.6=5, 3.2/905=4...(8) QG1 VAL 30 + H THR 67 OK 16 83 - 20 - 6098/3.0=3, 6113/4.6=3...(9) QG2 ILE 37 + H THR 67 OK 16 96 - 17 - 6113/4.6=3, 6098/3.0=2...(5) QD2 LEU 62 + H THR 67 OK 12 76 - 16 - 5052/6104=5, 6113/4.6=2...(4) QG2 THR 42 - H THR 67 lone 8 93 - 8 - 5492/4.0=2, 6098/3.0=1 QG2 ILE 39 - H THR 67 lone 6 71 - 9 - ~6095=1, 1977/3.9=1 Peak 6103 from nnoeabs.peaks (0.73, 8.43, 108.09 ppm; 4.14 A): 3 out of 3 assignments used, quality = 0.75: QG2 ILE 51 + H THR 67 OK 61 93 - 66 - 5716/3.6=19, 6027/3.5=14...(14) QG2 ILE 93 + H THR 67 OK 22 97 - 23 - 6027/3.5=6, 6020/3.6=6...(6) QD1 ILE 40 + H THR 67 OK 15 89 - 17 - 5454/6105=3, 5440/4.0=2...(4) Peak 6104 from nnoeabs.peaks (0.63, 8.43, 108.09 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.71: QD2 LEU 53 + H THR 67 OK 71 89 - 80 - 6021/3.6=31, 6028/3.5=31...(15) Peak 6105 from nnoeabs.peaks (0.30, 8.43, 108.09 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.90: QG2 VAL 68 + H THR 67 OK 79 97 - 81 - 6155/3.0=28, 3040/4.6=19...(15) QD1 LEU 21 + H THR 67 OK 51 73 - 69 - 4792/3.6=15, 6029/3.5=15...(15) Peak 6111 from nnoeabs.peaks (0.69, 8.09, 119.93 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 18 + H VAL 68 OK 72 87 - 83 - 6106/3.6=25, 4691=24...(17) QG2 ILE 51 + H VAL 68 OK 52 63 - 83 - 6123/4.0=23, 6118/3.0=19...(17) Peak 6112 from nnoeabs.peaks (1.18, 8.09, 119.93 ppm; 3.26 A): 5 out of 6 assignments used, quality = 0.83: QG2 THR 15 + H VAL 68 OK 54 78 - 70 - 4547=21, 3.2/6164=16...(15) HG13 ILE 37 + H VAL 68 OK 31 100 - 31 - 1.8/908=8, 1943/3.0=4...(11) HB2 LEU 21 + H VAL 68 OK 21 78 - 27 - 3.1/909=7, 6096/3.6=3...(11) HB3 LEU 21 + H VAL 68 OK 20 73 - 27 - 3.1/909=7, 6096/3.6=3...(11) HG13 ILE 27 + H VAL 68 OK 15 87 - 18 - 6096/3.6=2, 6094/4.4=2...(8) HB3 LYS 41 - H VAL 68 lone 5 89 - 5 - 6181/4.6=1, 1.8/313=1 Peak 6113 from nnoeabs.peaks (0.85, 8.09, 119.93 ppm; 4.19 A): 4 out of 9 assignments used, quality = 0.96: QD1 ILE 51 + H VAL 68 OK 69 85 - 82 - 5761/4.0=24, 5760/4.0=16...(16) QG2 ILE 16 + H VAL 68 OK 54 76 - 71 - 4.0/6166=20, 3.2/4645=15...(15) QG2 ILE 37 + H VAL 68 OK 46 100 - 46 - 3.2/908=8, 3.2/6112=8...(15) QG1 VAL 18 + H VAL 68 OK 44 89 - 50 - 2.1/4691=21, 3.9/4684=13...(9) QG1 VAL 30 - H VAL 68 OK 38 96 - 40 - 5110/4.0=15, 5109/4.0=8...(10) QG2 VAL 30 - H VAL 68 OK 35 99 - 35 - 5107/4.0=10, 6117/3.0=5...(10) QD2 LEU 62 - H VAL 68 OK 26 92 - 28 - 2.1/6114=6, ~6116=4...(12) QG2 ILE 80 - H VAL 68 OK 16 98 - 17 - 3.2/313=2, 6100/4.6=2...(8) QG2 THR 42 - H VAL 68 poor 10 78 - 12 - 4.2/6166=5, 5512/4.6=1 Peak 6114 from nnoeabs.peaks (1.00, 8.09, 119.93 ppm; 4.65 A): 4 out of 4 assignments used, quality = 0.91: HG12 ILE 51 + H VAL 68 OK 77 90 - 85 - 5756/4.0=28, 6116/3.0=25...(15) QG1 VAL 95 + H VAL 68 OK 37 81 - 47 - 6901/4.0=15, 6125/4.0=10...(11) QD1 LEU 62 + H VAL 68 OK 31 100 - 30 - 6116/3.0=7, 6125/4.0=7...(9) QG2 THR 55 + H VAL 68 OK 11 60 - 18 - 6116/3.0=5, 6134/4.0=4...(5) Peak 6115 from nnoeabs.peaks (1.27, 8.09, 119.93 ppm; 3.57 A): 2 out of 6 assignments used, quality = 0.76: QB ALA 98 + H VAL 68 OK 54 100 - 54 - 7004/3.6=15, 7015/4.1=13...(10) HG12 ILE 16 + H VAL 68 OK 47 76 - 62 - 1.8/4645=14, 4.6/6166=12...(14) HG13 ILE 39 - H VAL 68 poor 9 85 - 11 - 6093/4.4=2, 6091/4.1=2 QG2 THR 26 - H VAL 68 lone 9 100 - 9 - 6095/3.6=1, 6091/4.1=1...(4) HG3 LYS 35 - H VAL 68 lone 8 100 - 8 - 6093/4.4=1, 6091/4.1=1 HG3 LYS 86 - H VAL 68 lone 8 89 - 8 - 6135/4.0=2, 6126/4.0=1 Peak 6143 from nnoeabs.peaks (1.87, 8.09, 119.93 ppm; 5.26 A): 4 out of 12 assignments used, quality = 0.91: HB ILE 16 + H VAL 68 OK 74 97 - 76 - 4.0/6166=28, 3.0/4645=23...(11) HB ILE 37 + H VAL 68 OK 44 95 - 46 - 3.0/908=11, 3.0/6112=10...(11) HB ILE 27 + H VAL 68 OK 21 100 - 21 - 2.8/6112=5, 4.4/6166=5...(6) HB2 LEU 62 + H VAL 68 OK 19 73 - 26 - 3.1/6114=8, ~6116=5...(7) HB2 LYS 63 - H VAL 68 lone 6 95 - 6 - HB3 ARG 57 - H VAL 68 lone 4 68 - 7 - ~5889=2, 4.4/1102=2 HB2 ARG 57 - H VAL 68 lone 4 68 - 7 - ~5889=2, 4.4/1102=2 HB3 LYS 44 - H VAL 68 lone 3 100 - 3 - HB2 LYS 44 - H VAL 68 lone 3 99 - 3 - HB2 PRO 92 - H VAL 68 lone 3 100 - 3 - HD3 LYS 77 - H VAL 68 lone 3 100 - 3 - HB2 GLU 87 - H VAL 68 lone 2 90 - 3 - Peak 6144 from nnoeabs.peaks (5.41, 8.09, 119.93 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.83: HA PHE 17 + H VAL 68 OK 79 99 - 80 - 4657/3.6=32, 4650=29...(10) HA ASP 72 + H VAL 68 OK 20 63 - 31 - 3.0/6301=6, 3.0/6302=6...(8) Peak 6145 from nnoeabs.peaks (5.21, 8.09, 119.93 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.64: HA SER 69 + H VAL 68 OK 64 73 - 87 - 3.0/314=33, ~4281=25...(10) HA LYS 94 - H VAL 68 lone 4 71 - 6 - 4705/4691=1 Peak 6164 from nnoeabs.peaks (5.55, 8.09, 119.93 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.80: HA THR 15 + H VAL 68 OK 80 92 - 87 - 3.2/4547=28, 4542=25...(14) Peak 6166 from nnoeabs.peaks (8.83, 8.09, 119.93 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.87: H ILE 16 + H VAL 68 OK 81 93 - 87 - 4637=30, 3.6/6164=18...(21) H ASN 43 + H VAL 68 OK 20 83 - 24 - 6176/4.0=3, 6172/4.0=3...(8) H GLU 28 + H VAL 68 OK 14 65 - 22 - 6057/4.1=3, 6053/3.6=3...(9) Peak 6167 from nnoeabs.peaks (8.95, 8.09, 119.93 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.95: H VAL 18 + H VAL 68 OK 74 90 - 82 - 4698/3.6=31, 3.6/6144=26...(16) H PHE 70 + H VAL 68 OK 73 97 - 75 - 3.6/6145=24, 6234/4.0=23...(14) H SER 96 + H VAL 68 OK 27 73 - 37 - 4.2/6114=6, 6944/4691=6...(14) H ASP 56 - H VAL 68 OK 21 97 - 21 - 6177/4.0=2, 4.0/5875=2...(7) Peak 6178 from nnoeabs.peaks (1.45, 7.68, 121.55 ppm; 4.15 A): 3 out of 12 assignments used, quality = 0.95: HB ILE 51 + H SER 69 OK 69 99 - 70 - 3.0/6182=21, 5750/4.3=17...(15) QG2 THR 67 + H SER 69 OK 63 100 - 63 - 4.1/314=18, 6065=15...(16) HG13 ILE 51 + H SER 69 OK 59 89 - 67 - 1.8/6182=27, 5758/4.3=17...(8) QB ALA 31 - H SER 69 OK 38 95 - 40 - 5102/4.3=17, 6128/4.3=4...(11) HB2 LYS 41 - H SER 69 OK 34 85 - 40 - 5474/4.0=14, 6189/4.0=8...(13) HG12 ILE 80 - H SER 69 OK 14 100 - 14 - 3.2/6199=2, 6128/4.3=1...(5) HG2 LYS 44 - H SER 69 lone 5 78 - 7 - 4.9/5550=1 HG3 LYS 63 - H SER 69 lone 5 89 - 6 - HG2 LYS 63 - H SER 69 lone 5 89 - 6 - HD3 LYS 86 - H SER 69 lone 5 60 - 8 - 5758/4.3=3, 5757/4.3=2 HG3 LYS 94 - H SER 69 lone 5 98 - 5 - HG3 LYS 61 - H SER 69 lone 2 60 - 3 - Peak 6179 from nnoeabs.peaks (1.66, 7.68, 121.55 ppm; 4.01 A): 6 out of 18 assignments used, quality = 0.94: HB2 MET 50 + H SER 69 OK 74 99 - 75 - 5699=36, 5676/4.0=20...(9) HG12 ILE 40 + H SER 69 OK 44 87 - 51 - 3.2/5387=24, 5452/4.3=15...(9) HB ILE 40 + H SER 69 OK 28 73 - 38 - 2.1/5387=29, 3.2/6198=8, ~6183=2 QB ALA 79 + H SER 69 OK 24 97 - 24 - 6494/4.3=15, 6129/4.3=3 HG12 ILE 27 + H SER 69 OK 16 100 - 15 - 1.8/6181=3, 5452/4.3=3...(6) HB VAL 18 + H SER 69 OK 12 81 - 15 - 4712/4.3=6, 6138/4.3=4 HG3 GLN 19 - H SER 69 lone 3 97 - 3 - 6129/4.3=1 HB3 LYS 61 - H SER 69 lone 3 100 - 3 - HD3 LYS 63 - H SER 69 lone 2 76 - 3 - HD2 LYS 94 - H SER 69 lone 2 85 - 2 - HD3 LYS 94 - H SER 69 lone 2 85 - 2 - HD3 LYS 35 - H SER 69 lone 2 65 - 3 - 3.6/6180=1 HD2 LYS 44 - H SER 69 lone 1 76 - 2 - HD3 LYS 44 - H SER 69 lone 1 73 - 2 - HD2 LYS 61 - H SER 69 lone 1 76 - 2 - HD3 LYS 61 - H SER 69 lone 1 76 - 2 - HG3 ARG 57 - H SER 69 lone 1 78 - 1 - HG2 ARG 57 - H SER 69 lone 1 73 - 1 - Peak 6180 from nnoeabs.peaks (2.04, 7.68, 121.55 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.79: HB3 MET 50 + H SER 69 OK 61 98 - 62 - 1.8/5699=29, 5678/4.0=23...(5) QE MET 50 + H SER 69 OK 46 100 - 46 - 4.1/5699=18, 5693/4.0=15...(5) HB2 LYS 35 - H SER 69 lone 6 95 - 6 - 5229/6198=2, 5437/5387=2 HG2 PRO 92 - H SER 69 lone 2 97 - 2 - HB3 GLN 36 - H SER 69 lone 2 78 - 2 - HB3 GLU 23 - H SER 69 lone 1 76 - 2 - Peak 6181 from nnoeabs.peaks (1.17, 7.68, 121.55 ppm; 4.31 A): 4 out of 6 assignments used, quality = 0.95: QG2 THR 15 + H SER 69 OK 82 92 - 89 - 4551/3.0=33, 4548=27...(13) HG13 ILE 37 + H SER 69 OK 39 99 - 39 - 1943/3.6=6, 6112/4.6=6...(12) HB2 LEU 21 + H SER 69 OK 38 92 - 41 - 3.1/317=9, 2.9/913=6...(13) HB3 LEU 21 + H SER 69 OK 36 89 - 40 - 3.1/317=9, 2.9/913=6...(13) HB3 LYS 41 - H SER 69 OK 30 73 - 41 - 7083/4.0=14, 6190/4.0=8...(11) HG13 ILE 27 - H SER 69 OK 25 97 - 26 - 6136/4.3=4, 6127/4.3=4...(9) Peak 6182 from nnoeabs.peaks (1.04, 7.68, 121.55 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.58: HG12 ILE 51 + H SER 69 OK 50 78 - 64 - 5756/4.3=19, 4.0/7147=16...(7) QG2 THR 55 + H SER 69 OK 17 98 - 17 - 3.2/7054=4, 6134/4.3=3...(4) Peak 6198 from nnoeabs.peaks (0.73, 7.68, 121.55 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.94: QG2 ILE 51 + H SER 69 OK 80 97 - 83 - 5754/4.3=28, 3.2/6182=26...(13) QD1 ILE 40 + H SER 69 OK 61 83 - 74 - 3.3/5387=31, 5455/4.3=29...(11) QG2 ILE 93 + H SER 69 OK 25 99 - 25 - 6847/4.3=9, 6118/3.6=6...(6) Peak 6199 from nnoeabs.peaks (0.84, 7.68, 121.55 ppm; 3.81 A): 8 out of 8 assignments used, quality = 0.91: QG2 ILE 40 + H SER 69 OK 46 73 - 63 - 5387=23, 5451/4.3=16...(14) QG1 VAL 30 + H SER 69 OK 33 100 - 33 - 5110/4.3=12, 5109/4.3=7...(11) QG2 VAL 30 + H SER 69 OK 30 99 - 30 - 5107/4.3=8, 6133/4.3=4...(12) QG2 ILE 16 + H SER 69 OK 27 97 - 28 - 6133/4.3=4, 1932/4.5=4...(8) QG2 ILE 37 + H SER 69 OK 26 98 - 26 - 3.2/6181=4, 1932/4.5=3...(13) QD2 LEU 62 + H SER 69 OK 16 100 - 16 - 5107/4.3=2, 6133/4.3=2...(8) QG2 ILE 80 + H SER 69 OK 13 100 - 12 - 6233/4.6=1, 6133/4.3=1...(5) QG2 VAL 25 + H SER 69 OK 12 78 - 15 - 5110/4.3=4, 4913/4.3=3...(5) Peak 6207 from nnoeabs.peaks (5.55, 7.68, 121.55 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.93: HA THR 15 + H SER 69 OK 93 96 - 98 - 4552/3.0=44, 6218/4.6=34...(17) Peak 6208 from nnoeabs.peaks (8.87, 7.68, 121.55 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.66: H MET 50 + H SER 69 OK 61 98 - 63 - 4.0/5699=27, 6213/4.0=18...(5) H PHE 97 + H SER 69 OK 13 81 - 16 - 2451/5699=3, 6213/4.0=3...(5) Peak 6215 from nnoeabs.peaks (8.68, 8.96, 122.57 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.89: H LYS 41 + H PHE 70 OK 87 100 - 87 - 5469/3.0=37, 5484=36...(13) H ALA 31 + H PHE 70 OK 18 65 - 28 - 2.9/6235=5, 6214/4.5=5...(8) Peak 6216 from nnoeabs.peaks (8.82, 8.96, 122.57 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.85: H ILE 16 + H PHE 70 OK 82 96 - 86 - 3.6/6218=35, 4561/3.6=33...(15) H ASN 43 + H PHE 70 OK 20 87 - 23 - 6211/3.6=6, 5520/4.6=4...(8) H GLU 28 - H PHE 70 poor 8 71 - 11 - 6211/3.6=2, 6176/6234=2 Peak 6217 from nnoeabs.peaks (6.98, 8.96, 122.57 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.74: QE PHE 70 + H PHE 70 OK 69 90 - 77 - 2.2/922=40, 6.5=27...(8) QE PHE 83 + H PHE 70 OK 15 100 - 15 - 4818/3.6=3, 4719/6234=2...(5) HZ PHE 88 - H PHE 70 lone 7 100 - 7 - 6160/6234=1, 4613/6216=1 HE22 GLN 48 - H PHE 70 lone 3 100 - 3 - HD21 ASN 52 - H PHE 70 lone 3 100 - 3 - HD21 ASN 24 - H PHE 70 lone 2 97 - 2 - HE22 GLN 19 - H PHE 70 lone 1 71 - 2 - Peak 6218 from nnoeabs.peaks (5.55, 8.96, 122.57 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.76: HA THR 15 + H PHE 70 OK 76 97 - 78 - 6204/3.6=25, 4541=23...(13) Peak 6219 from nnoeabs.peaks (4.90, 8.96, 122.57 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.65: HA ASN 14 + H PHE 70 OK 65 100 - 65 - 3.0/4522=28, 3.0/6220=24...(6) HA LYS 35 - H PHE 70 lone 2 87 - 2 - Peak 6220 from nnoeabs.peaks (2.53, 8.96, 122.57 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.69: HB3 ASN 14 + H PHE 70 OK 69 99 - 70 - 1.8/4522=37, 3.0/6219=32...(5) HB2 TRP 82 - H PHE 70 lone 7 96 - 7 - 3.9/320=1 HB3 ASN 43 - H PHE 70 lone 5 76 - 7 - 4.0/6216=5 HB2 ASN 13 - H PHE 70 lone 3 100 - 3 - 4508=1 Peak 6221 from nnoeabs.peaks (1.62, 8.96, 122.57 ppm; 4.22 A): 4 out of 8 assignments used, quality = 0.94: HG12 ILE 40 + H PHE 70 OK 56 85 - 67 - ~5416=14, ~5424=12...(16) QB ALA 76 + H PHE 70 OK 50 81 - 62 - 6402=16, 6393/4.6=15...(13) HD3 LYS 41 + H PHE 70 OK 46 100 - 46 - 5.8/6215=12, 3.8/6235=8...(13) HD2 LYS 41 + H PHE 70 OK 46 100 - 46 - 5.8/6215=12, 3.8/6235=8...(13) HB2 MET 50 - H PHE 70 OK 20 60 - 33 - 5676/4.5=11, 5699/4.6=10...(6) HB VAL 18 - H PHE 70 OK 14 90 - 16 - 6138/6234=2, 4577/6216=2...(6) HD2 LYS 63 - H PHE 70 poor 8 65 - 11 - 5.9/5970=2, 7134/6219=1 HG3 GLN 19 - H PHE 70 lone 2 68 - 2 - Peak 6222 from nnoeabs.peaks (1.17, 8.96, 122.57 ppm; 4.35 A): 4 out of 6 assignments used, quality = 0.93: QG2 THR 15 + H PHE 70 OK 80 97 - 82 - 3.2/6218=36, 4551/3.6=31...(11) HB3 LYS 41 + H PHE 70 OK 37 60 - 62 - 4.0/6215=19, ~5478=11...(11) HG13 ILE 37 + H PHE 70 OK 24 96 - 25 - 5316/3.6=5, 6181/4.6=3...(7) HB2 LEU 21 + H PHE 70 OK 22 97 - 23 - 6184/3.6=5, 2.9/321=4...(8) HB3 LEU 21 - H PHE 70 OK 21 96 - 22 - 6184/3.6=5, 2.9/321=4...(8) HG13 ILE 27 - H PHE 70 OK 16 99 - 16 - 6184/3.6=3, 6181/4.6=2...(6) Peak 6233 from nnoeabs.peaks (0.84, 8.96, 122.57 ppm; 4.75 A): 5 out of 9 assignments used, quality = 0.96: QG2 ILE 16 + H PHE 70 OK 63 96 - 66 - 4.0/6216=22, 4625/4.6=17...(16) QG2 ILE 40 + H PHE 70 OK 58 68 - 85 - 5416/3.0=25, 4.1/6215=22...(18) QG1 VAL 30 + H PHE 70 OK 36 100 - 36 - 5110/6234=8, 6199/4.6=5...(13) QG2 ILE 37 + H PHE 70 OK 35 99 - 36 - 4625/4.6=5, 3.2/6222=4...(12) QG2 VAL 30 + H PHE 70 OK 31 100 - 31 - 4.2/6215=5, 6199/4.6=4...(11) QG2 ILE 80 - H PHE 70 OK 25 100 - 25 - 6518/4.1=5, 3.2/917=3...(10) QD2 LEU 62 - H PHE 70 OK 20 100 - 20 - 5960/3.0=4, 6199/4.6=2...(8) QG2 VAL 25 - H PHE 70 OK 13 73 - 17 - 5110/6234=3, 4717/4.6=2...(8) QG1 VAL 18 - H PHE 70 poor 7 63 - 12 - 2.1/6221=3, 4697/6.5=2...(4) Peak 6234 from nnoeabs.peaks (0.01, 8.96, 122.57 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 68 + H PHE 70 OK 95 100 - 95 - 318/4.6=34, 6197/3.6=32...(27) Peak 6235 from nnoeabs.peaks (1.48, 8.96, 122.57 ppm; 5.13 A): 5 out of 9 assignments used, quality = 0.94: HB2 LYS 41 + H PHE 70 OK 78 98 - 80 - 4.0/6215=26, 5474/4.5=23...(12) QG2 THR 67 + H PHE 70 OK 36 68 - 53 - 4.1/6167=11...(15) QB ALA 31 + H PHE 70 OK 36 92 - 39 - 5102/6234=11, 2.9/6215=7...(10) HB ILE 51 + H PHE 70 OK 30 81 - 37 - 5750/6234=9, ~2522=4...(10) HG12 ILE 80 + H PHE 70 OK 11 68 - 16 - 3.2/6233=3, 3.8/917=3...(5) HG2 LYS 44 - H PHE 70 lone 7 99 - 7 - 6189/4.5=1, 6195/4.5=1 HG2 LYS 86 - H PHE 70 lone 7 89 - 7 - 6189/4.5=1, 6256/4.6=1 HG LEU 53 - H PHE 70 lone 4 81 - 5 - 6256/4.6=1 HG2 LYS 94 - H PHE 70 lone 2 63 - 3 - 6256/4.6=1 Peak 6241 from nnoeabs.peaks (8.68, 8.45, 119.98 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.89: H LYS 41 + H ASP 71 OK 81 100 - 82 - 5469/3.6=21, 3.6/6253=16...(19) H ILE 40 + H ASP 71 OK 32 60 - 54 - 3.0/6253=18, 3.8/6258=9...(12) H ALA 31 + H ASP 71 OK 17 78 - 22 - 6242/3.0=3, 6215/4.6=2...(8) Peak 6252 from nnoeabs.peaks (4.07, 8.45, 119.98 ppm; 4.56 A): 2 out of 4 assignments used, quality = 0.94: HA LYS 41 + H ASP 71 OK 88 99 - 89 - 3.0/6241=25, 3.0/6257=24...(22) HA ILE 39 + H ASP 71 OK 54 78 - 69 - 3.2/6258=16, 3.0/6254=13...(11) HA3 GLY 38 - H ASP 71 OK 33 92 - 36 - 5325/4.4=14, 3.6/5377=8...(9) HB3 SER 29 - H ASP 71 lone 5 96 - 5 - 5409/6253=1 Peak 6253 from nnoeabs.peaks (3.81, 8.45, 119.98 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.66: HA ILE 40 + H ASP 71 OK 61 93 - 66 - 5410/3.6=19, 3.6/6241=15...(15) HD2 PRO 92 + H ASP 71 OK 12 96 - 13 - 2.3/4375=2, 2.3/4374=2...(6) HA LYS 77 - H ASP 71 poor 10 93 - 10 - 4859/4.4=2, 4.8/6401=2 HA SER 89 - H ASP 71 lone 4 100 - 4 - 3.0/325=2 HB THR 55 - H ASP 71 lone 2 73 - 3 - 2.1/5854=1 HB3 SER 11 - H ASP 71 lone 1 89 - 1 - Peak 6254 from nnoeabs.peaks (1.84, 8.45, 119.98 ppm; 4.86 A): 5 out of 13 assignments used, quality = 0.84: HB ILE 39 + H ASP 71 OK 73 89 - 82 - 6269/3.9=23, 6265/3.9=23...(12) HB ILE 16 + H ASP 71 OK 16 85 - 19 - 3.0/6257=7, 4.0/21=4...(5) HB2 PRO 92 + H ASP 71 OK 13 63 - 21 - 3.0/6253=6, 2.3/4375=4...(6) HB2 LYS 61 + H ASP 71 OK 12 100 - 12 - 6269/3.9=3, 6265/3.9=3...(4) HB2 LYS 94 + H ASP 71 OK 10 89 - 12 - 6269/3.9=3, 6265/3.9=3...(4) HB ILE 37 - H ASP 71 lone 9 90 - 10 - 3.0/6257=3, ~6263=1 HB2 PRO 74 - H ASP 71 lone 8 100 - 8 - 1.8/926=3, 6269/3.9=2 HB3 GLU 65 - H ASP 71 lone 5 92 - 5 - 3.0/6014=1 HD3 LYS 77 - H ASP 71 lone 4 63 - 6 - 4.6/6253=3 HB ILE 27 - H ASP 71 lone 3 65 - 5 - HB2 LYS 44 - H ASP 71 lone 2 81 - 3 - HB3 LYS 44 - H ASP 71 lone 2 73 - 3 - HG LEU 62 - H ASP 71 lone 2 63 - 3 - Peak 6255 from nnoeabs.peaks (1.64, 8.45, 119.98 ppm; 4.70 A): 3 out of 9 assignments used, quality = 0.98: HD2 LYS 41 + H ASP 71 OK 76 87 - 87 - 3.8/6257=22, 5.8/6241=13...(27) HD3 LYS 41 + H ASP 71 OK 76 87 - 87 - 3.8/6257=22, 5.8/6241=13...(27) HG12 ILE 40 + H ASP 71 OK 69 100 - 69 - 3.8/6253=24, 5406/4.4=16...(16) HB2 MET 50 - H ASP 71 OK 36 99 - 36 - 5696/6241=8, 2.9/926=7...(11) HB VAL 18 - H ASP 71 OK 12 99 - 11 - 2.1/6258=1, 1377/4.6=1 QB ALA 79 - H ASP 71 poor 8 73 - 11 - 6470/4.3=2, 6459/4.6=2 HB3 LYS 61 - H ASP 71 lone 8 93 - 8 - 1.8/6254=3, ~6262=1 HG12 ILE 27 - H ASP 71 lone 8 93 - 8 - 5406/4.4=1 HG3 GLN 19 - H ASP 71 lone 3 100 - 3 - Peak 6256 from nnoeabs.peaks (1.49, 8.45, 119.98 ppm; 4.77 A): 2 out of 9 assignments used, quality = 0.95: HB2 LYS 41 + H ASP 71 OK 83 89 - 94 - 1.8/6257=31, ~6263=26...(24) HG3 LYS 41 + H ASP 71 OK 70 78 - 90 - 3.0/6257=26, ~6263=19...(21) QB ALA 31 - H ASP 71 OK 23 76 - 31 - 2.9/6241=6, 6235/4.6=4...(11) HB ILE 51 - H ASP 71 OK 18 60 - 29 - 3.0/324=7, 2.1/5705=5...(8) HG LEU 53 - H ASP 71 OK 11 95 - 12 - 2.1/5780=3, 7095/5705=1...(6) HG2 LYS 94 - H ASP 71 poor 9 83 - 11 - 2.9/6254=2, 7120/3.9=2...(4) HG2 LYS 86 - H ASP 71 lone 9 98 - 9 - 6261/3.0=1, 7120/3.9=1 HG2 LYS 45 - H ASP 71 poor 8 60 - 13 - ~6262=3, 6261/3.0=2...(6) HG2 LYS 44 - H ASP 71 lone 6 93 - 7 - Peak 6257 from nnoeabs.peaks (1.20, 8.45, 119.98 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.93: HB3 LYS 41 + H ASP 71 OK 90 100 - 90 - 6263/3.0=33, 4.0/6241=19...(22) HG13 ILE 16 + H ASP 71 OK 22 83 - 27 - 7175/4.4=14, 3.0/6254=3...(7) HG13 ILE 37 + H ASP 71 OK 11 83 - 13 - 6263/3.0=3, 6272/3.9=2...(5) QG2 THR 59 - H ASP 71 lone 3 71 - 4 - Peak 6258 from nnoeabs.peaks (0.90, 8.45, 119.98 ppm; 3.82 A): 4 out of 5 assignments used, quality = 0.88: QG2 ILE 39 + H ASP 71 OK 66 97 - 69 - 6273/3.9=17, 5379=15...(13) QD1 ILE 39 + H ASP 71 OK 51 90 - 56 - 6268/3.9=11, 3.0/5379=10...(11) QD1 ILE 51 + H ASP 71 OK 18 71 - 26 - 4.2/324=4, 6273/3.9=4...(9) QG2 THR 42 + H ASP 71 OK 10 78 - 13 - 6273/3.9=3, 5459/6252=3...(6) QG1 VAL 18 - H ASP 71 lone 4 65 - 6 - Peak 6278 from nnoeabs.peaks (3.45, 8.48, 116.74 ppm; 3.64 A): 2 out of 12 assignments used, quality = 0.71: HB2 PHE 70 + H ASP 72 OK 48 93 - 52 - 3.0/6280=19, 2.5/6300=12...(9) HD3 PRO 74 + H ASP 72 OK 43 78 - 55 - 6288/4.1=13, ~6343=13...(10) HB2 SER 89 - H ASP 72 lone 8 100 - 8 - 6274/4.5=1, 6276/4.5=1 HB2 PHE 83 - H ASP 72 lone 7 81 - 9 - ~6285=2, 2.4/4733=2...(4) HB2 PHE 83 - H TRP 82 poor 5 31 - 17 - 977/4.6=6, 2.4/4733=5, 4.3/386=3 HB2 PHE 83 - H ILE 93 poor 4 30 - 12 - 6614/5.0=7, 2.4/4733=3 HB2 PHE 70 - H TRP 82 lone 2 38 - 4 - HB2 SER 89 - H ILE 93 lone 1 44 - 3 - 6726/5.0=2 HB2 PHE 70 - H ILE 93 lone 1 37 - 3 - HD3 PRO 74 - H TRP 82 lone 1 29 - 3 - HD3 PRO 74 - H ILE 93 lone 1 28 - 2 - HB2 SER 89 - H TRP 82 lone 1 45 - 1 - Peak 6279 from nnoeabs.peaks (3.90, 8.48, 116.74 ppm; 4.25 A): 4 out of 15 assignments used, quality = 0.91: HD3 PRO 73 + H ASP 72 OK 80 85 - 94 - 4.8=69, 6283/3.0=26...(14) HB3 SER 75 + H ASP 72 OK 38 92 - 42 - 4.0/6346=10, 6352=8...(9) HA2 GLY 85 + H ASP 72 OK 17 87 - 19 - 6283/3.0=5, 6290/4.1=3...(7) HA2 GLY 38 + H ASP 72 OK 11 81 - 14 - 3.6/6301=8, 5327/6300=2 HA ALA 31 - H ASP 72 lone 8 98 - 8 - 4795/6300=1 HA2 GLY 85 - H ILE 93 poor 6 33 - 17 - 3.6/6670=6, 6650/4.1=3...(6) HA ALA 31 - H ILE 93 poor 5 41 - 13 - 4436/4.7=4, 5089/4.0=3, ~6796=2 HB3 SER 75 - H TRP 82 poor 4 37 - 11 - 1.8/6351=3, 4.0/6346=2...(4) HA2 GLY 85 - H TRP 82 lone 2 34 - 6 - 3.0/6641=3 HD3 PRO 73 - H TRP 82 lone 2 33 - 5 - 4.8/3130=1 HB3 SER 75 - H ILE 93 lone 1 36 - 3 - HA ALA 31 - H TRP 82 lone 1 42 - 3 - HA2 GLY 38 - H TRP 82 lone 1 31 - 4 - HA2 GLY 38 - H ILE 93 lone 1 30 - 3 - HD3 PRO 73 - H ILE 93 lone 1 32 - 2 - Peak 6280 from nnoeabs.peaks (4.83, 8.48, 116.74 ppm; 4.02 A): 1 out of 6 assignments used, quality = 0.51: HA PHE 70 + H ASP 72 OK 51 93 - 55 - 324/4.6=18, 6247/4.5=13...(9) HA ILE 51 - H ASP 72 poor 9 60 - 15 - 6248/4.5=5, 6247/4.5=4 HA PHE 70 - H ILE 93 lone 2 37 - 4 - HA PHE 70 - H TRP 82 lone 1 38 - 3 - HA ILE 51 - H ILE 93 lone 1 20 - 5 - ~3805=3 HA ILE 51 - H TRP 82 lone 0 21 - 1 - Peak 6298 from nnoeabs.peaks (0.91, 8.48, 116.74 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.83: QD1 ILE 39 + H ASP 72 OK 63 99 - 64 - 5373/4.5=17, 5381=15...(8) QG2 ILE 39 + H ASP 72 OK 53 81 - 66 - 6273/4.5=17, 5367/4.5=16...(8) QD1 ILE 39 - H ILE 93 lone 4 42 - 8 - 5381=2, 3.0/5379=2, 3.2/5378=1 QG2 ILE 27 - H ASP 72 lone 3 81 - 4 - 6264/3.6=1 QG2 ILE 39 - H ILE 93 lone 3 30 - 10 - 5379=2, 2.1/5378=1...(4) QG2 ILE 27 - H ILE 93 lone 2 30 - 6 - 4967/4.0=3 QD1 ILE 39 - H TRP 82 lone 2 44 - 4 - QG2 ILE 39 - H TRP 82 lone 1 31 - 4 - QG2 ILE 27 - H TRP 82 lone 0 31 - 2 - Peak 6299 from nnoeabs.peaks (1.84, 8.48, 116.74 ppm; 5.45 A): 0 out of 1 assignment used, low quality = 0.23: HB2 PRO 92 - H ILE 93 OK 23 23 - 100 - 4.1=100 Peak 6300 from nnoeabs.peaks (7.06, 8.48, 116.74 ppm; 4.75 A): 2 out of 9 assignments used, quality = 0.67: QD PHE 70 + H ASP 72 OK 60 96 - 63 - 3.7/6280=27, 330/4.6=23...(11) HZ3 TRP 82 + H TRP 82 OK 18 25 - 74 - ~3411=25, ~4724=21...(9) HZ PHE 17 - H ASP 72 poor 7 60 - 12 - 5.8/929=3, 5.8/930=2...(4) HZ3 TRP 82 - H ASP 72 lone 5 68 - 8 - 2.5/7033=1, 330/4.6=1 QD PHE 70 - H TRP 82 lone 3 40 - 7 - QD PHE 70 - H ILE 93 lone 3 39 - 6 - HZ PHE 17 - H TRP 82 lone 2 21 - 9 - ~6560=3, 5.8/929=2 HZ PHE 17 - H ILE 93 lone 1 20 - 3 - HZ3 TRP 82 - H ILE 93 lone 0 24 - 2 - Peak 6301 from nnoeabs.peaks (8.09, 8.48, 116.74 ppm; 4.64 A): 3 out of 15 assignments used, quality = 0.55: H ILE 39 + H ASP 72 OK 32 68 - 47 - 4.0/6298=10, 5.0/6298=10...(9) H VAL 68 + H ASP 72 OK 21 100 - 21 - 6144/3.0=7, 6302/4.1=5...(4) H ASN 13 + H ASP 72 OK 16 100 - 16 - 4.6/7167=7, 4.0/930=2...(6) H THR 59 - H ASP 72 poor 7 68 - 10 - 6302/4.1=4, 6303/4.1=4 H ASN 13 - H TRP 82 poor 6 45 - 14 - 4.6/7167=7, 5.7/4503=2...(4) H GLU 23 - H ASP 72 lone 5 71 - 7 - 6245/4.5=2, 6246/4.5=1 H VAL 68 - H ILE 93 lone 2 43 - 5 - H GLU 23 - H ILE 93 lone 2 25 - 8 - 4.6/56=5, 4859/5.0=1 H ILE 39 - H ILE 93 lone 2 24 - 7 - 4.0/5379=1 H ILE 39 - H TRP 82 lone 2 25 - 6 - H VAL 68 - H TRP 82 lone 1 44 - 3 - H ASN 13 - H ILE 93 lone 1 43 - 2 - H THR 59 - H TRP 82 lone 1 25 - 3 - 5908/4.0=1 H GLU 23 - H TRP 82 lone 1 26 - 3 - H THR 59 - H ILE 93 lone 0 24 - 2 - Peak 6346 from nnoeabs.peaks (8.48, 8.06, 114.38 ppm; 4.62 A): 5 out of 8 assignments used, quality = 0.74: H ASP 72 + H SER 75 OK 55 100 - 56 - 4.1/6355=20, 4.1/6356=17...(8) H THR 42 + H SER 75 OK 14 97 - 15 - 6351/4.0=4, 5504/3.9=2...(5) H PHE 83 + H SER 75 OK 13 100 - 13 - 6351/4.0=3, 6352/4.0=2...(4) H TRP 82 + H SER 75 OK 12 97 - 13 - 6351/4.0=3, 4.4/6355=2...(4) H ALA 98 + H SER 75 OK 11 99 - 11 - 6351/4.0=2, 3126/6356=2...(4) H THR 15 - H SER 75 poor 9 65 - 14 - 4.6/341=5, 3.0/4542=3 H LEU 21 - H SER 75 lone 7 93 - 7 - 2.9/340=1, 6351/4.0=1 H ILE 93 - H SER 75 lone 3 68 - 4 - Peak 6347 from nnoeabs.peaks (7.87, 8.06, 114.38 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.89: H ALA 78 + H SER 75 OK 89 99 - 90 - 4459/2.9=39, 4457/3.5=33...(13) Peak 6348 from nnoeabs.peaks (7.06, 8.06, 114.38 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.54: QD PHE 70 + H SER 75 OK 44 99 - 45 - 6349/4.0=20, 6350/4.0=20...(4) HZ PHE 17 + H SER 75 OK 18 76 - 23 - 7063/3.9=5, 5.8/6356=5...(7) HD22 ASN 91 - H SER 75 lone 7 71 - 10 - 6349/4.0=3, 6350/4.0=2 HZ3 TRP 82 - H SER 75 lone 6 83 - 7 - 6349/4.0=2, 6350/4.0=2 Peak 6353 from nnoeabs.peaks (1.62, 8.06, 114.38 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.70: QB ALA 76 + H SER 75 OK 55 90 - 61 - 2.9/1116=34, 3.6/1177=17...(7) HD3 LYS 41 + H SER 75 OK 18 97 - 19 - 3.0/933=4, 3.0/6354=4...(6) HD2 LYS 41 + H SER 75 OK 18 97 - 19 - 3.0/933=4, 3.0/6354=4...(6) HD2 LYS 63 - H SER 75 lone 6 78 - 7 - 6362/4.0=1 HB VAL 18 - H SER 75 lone 5 81 - 6 - 2.1/6363=2, 2.1/4691=2 HG12 ILE 40 - H SER 75 lone 3 73 - 3 - 5406/6348=2 Peak 6354 from nnoeabs.peaks (1.41, 8.06, 114.38 ppm; 4.49 A): 4 out of 11 assignments used, quality = 0.87: QB ALA 78 + H SER 75 OK 71 93 - 77 - 2.9/6347=29, 4461/2.9=28...(13) HG2 LYS 41 + H SER 75 OK 29 92 - 32 - 3.0/6353=6, 3.0/6353=6...(8) HG2 LYS 61 + H SER 75 OK 19 99 - 19 - 4460/2.9=3, 3.0/336=3...(7) HG3 LYS 61 + H SER 75 OK 19 98 - 19 - 3.0/336=3, 4460/2.9=3...(7) HG3 LYS 45 - H SER 75 lone 9 97 - 9 - 4460/2.9=2, 6368/4.6=2 HG3 LYS 63 - H SER 75 lone 5 81 - 7 - 3.0/6353=2, 6413/1177=1 HG2 LYS 63 - H SER 75 lone 5 81 - 7 - 3.0/6353=2, 6413/1177=1 HG13 ILE 51 - H SER 75 lone 5 81 - 7 - 2.1/6363=3 HD3 LYS 86 - H SER 75 lone 5 98 - 5 - 3.0/5879=1 HB3 LEU 53 - H SER 75 lone 4 73 - 6 - 4460/2.9=1 HG3 LYS 94 - H SER 75 lone 1 60 - 2 - Peak 6355 from nnoeabs.peaks (2.74, 8.06, 114.38 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.50: HB3 ASP 72 + H SER 75 OK 44 81 - 54 - 1.8/6356=23, 6303=15...(8) HB3 PHE 17 + H SER 75 OK 11 57 - 20 - 1.8/6356=9, 5.8/6348=3...(6) HB2 ASP 81 - H SER 75 lone 4 78 - 6 - 4.4/6346=2, 6551/6354=2 HB3 ASN 13 - H SER 75 lone 2 71 - 3 - HB2 ASP 32 - H SER 75 lone 2 90 - 2 - HB3 ASN 24 - H SER 75 lone 1 87 - 1 - Peak 6356 from nnoeabs.peaks (2.82, 8.06, 114.38 ppm; 3.99 A): 3 out of 4 assignments used, quality = 0.71: HB2 ASP 72 + H SER 75 OK 57 100 - 58 - 1.8/6355=24, 6302=16...(9) HB2 PHE 17 + H SER 75 OK 21 100 - 21 - 1.8/6355=6, 5.8/6348=3...(7) HB2 TYR 54 + H SER 75 OK 14 100 - 14 - 5842/3.9=4, 2.5/1173=3...(5) HB3 TYR 33 - H SER 75 lone 7 99 - 7 - 5146/4.6=2 Peak 6363 from nnoeabs.peaks (0.87, 8.06, 114.38 ppm; 4.98 A): 8 out of 9 assignments used, quality = 0.84: QG2 ILE 37 + H SER 75 OK 48 89 - 55 - 5288/2.9=18, ~5274=11...(9) QG2 VAL 30 + H SER 75 OK 24 85 - 29 - 6364/2.9=5, 5066/4.6=5...(7) QD1 ILE 51 + H SER 75 OK 18 99 - 18 - 5723/4.0=5, 5712/4.6=4...(5) QG1 VAL 30 + H SER 75 OK 17 71 - 23 - 6364/2.9=5, ~6364=4...(6) QG2 ILE 80 + H SER 75 OK 16 78 - 20 - 6364/2.9=4, 6365/4.0=3...(7) QG1 VAL 18 + H SER 75 OK 12 100 - 12 - 2.1/4691=3, 2.1/6353=2...(4) QG2 THR 42 + H SER 75 OK 12 98 - 12 - 4.0/6346=4, 5498/2.9=2 QG2 ILE 39 + H SER 75 OK 11 83 - 13 - 5356/3.9=5, 5369/3.5=4...(4) QD2 LEU 62 - H SER 75 lone 6 63 - 9 - 6364/2.9=1, 6365/4.0=1 Peak 6368 from nnoeabs.peaks (1.41, 7.44, 122.42 ppm; 4.70 A): 2 out of 10 assignments used, quality = 0.94: QB ALA 78 + H ALA 76 OK 91 98 - 93 - 2.9/1175=37, 4461/3.6=28...(16) HG2 LYS 41 + H ALA 76 OK 29 97 - 30 - 4460/3.6=4, 6354/4.6=4...(10) HG2 LYS 61 - H ALA 76 OK 15 95 - 16 - 4460/3.6=3, 6354/4.6=3...(5) HG3 LYS 61 - H ALA 76 OK 15 93 - 16 - 4460/3.6=3, 6354/4.6=3...(5) HG3 LYS 45 - H ALA 76 OK 14 100 - 14 - 6413/4.6=2, 4460/3.6=2...(7) HG3 LYS 63 - H ALA 76 poor 10 68 - 14 - 6413/4.6=3, 3.0/937=2...(5) HG2 LYS 63 - H ALA 76 poor 10 68 - 14 - 6413/4.6=3, 3.0/937=2...(5) HB3 LEU 53 - H ALA 76 lone 7 85 - 8 - 4460/3.6=1, 6361/4.6=1 HG13 ILE 51 - H ALA 76 lone 6 68 - 9 - 2.1/5712=4, 5758/6162=2 HD3 LYS 86 - H ALA 76 lone 6 93 - 6 - Peak 6369 from nnoeabs.peaks (1.99, 7.44, 122.42 ppm; 4.44 A): 2 out of 9 assignments used, quality = 0.85: HG3 PRO 74 + H ALA 76 OK 62 100 - 63 - 3.8/4451=20, 1.8/6370=16...(9) HB2 LYS 77 + H ALA 76 OK 61 97 - 63 - 3.7/346=31, 4.7/1175=23...(7) HB VAL 25 - H ALA 76 lone 9 100 - 9 - ~6384=1, 2.1/6380=1, 3260/4.6=1 HB2 GLU 65 - H ALA 76 lone 6 97 - 6 - ~6399=1, 4791/6388=1 HG2 PRO 49 - H ALA 76 lone 6 92 - 6 - 5644/5402=1 HG2 GLN 19 - H ALA 76 lone 6 95 - 6 - 3.0/6370=1 HB3 GLU 28 - H ALA 76 lone 3 97 - 3 - HB2 GLU 23 - H ALA 76 lone 3 89 - 3 - HB3 GLN 36 - H ALA 76 lone 1 65 - 2 - Peak 6370 from nnoeabs.peaks (2.12, 7.44, 122.42 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.86: HG2 PRO 74 + H ALA 76 OK 63 96 - 66 - 3.8/4451=21, 1.8/6369=16...(9) HB3 LYS 77 + H ALA 76 OK 62 97 - 65 - 3.7/346=33, 4.7/1175=25...(7) HB2 GLU 58 - H ALA 76 lone 6 93 - 7 - 4236/4.6=3, 4.6/342=2 HB2 GLN 19 - H ALA 76 lone 5 100 - 5 - 3.0/6369=1 HB2 GLN 36 - H ALA 76 lone 3 99 - 3 - HG3 GLU 65 - H ALA 76 lone 2 85 - 3 - 3.0/6369=1 Peak 6371 from nnoeabs.peaks (2.79, 7.44, 122.42 ppm; 4.80 A): 5 out of 6 assignments used, quality = 0.91: HB3 PHE 70 + H ALA 76 OK 75 90 - 83 - ~6391=21, ~6393=21...(15) HB2 PHE 17 + H ALA 76 OK 33 71 - 46 - 2.4/6388=40, 6356/4.6=2...(6) HB3 PHE 34 + H ALA 76 OK 21 73 - 29 - 6359/4.6=5, 4.1/723=4...(8) HB3 TYR 33 + H ALA 76 OK 19 78 - 25 - 1.8/5141=5, 4.3/723=4...(8) HB2 ASP 72 + H ALA 76 OK 18 71 - 26 - 6302/4.6=9, 4.8/345=5...(6) HB3 ASP 84 - H ALA 76 lone 7 85 - 8 - 6374/2.9=2, 6359/4.6=1 Peak 6372 from nnoeabs.peaks (3.48, 7.44, 122.42 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.95: HD3 PRO 74 + H ALA 76 OK 78 99 - 78 - 3.6/4451=23, 341/4.6=22...(10) HB2 ASN 14 + H ALA 76 OK 68 93 - 73 - 3.0/6373=26, ~6378=19...(13) HB3 PHE 83 + H ALA 76 OK 26 99 - 26 - ~6396=8, ~4467=6...(6) HB2 SER 89 - H ALA 76 lone 3 60 - 5 - 6375/2.9=1 Peak 6373 from nnoeabs.peaks (4.90, 7.44, 122.42 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.76: HA ASN 14 + H ALA 76 OK 73 100 - 73 - 6378/2.9=40, 3.0/6372=14...(9) HA LYS 35 + H ALA 76 OK 11 89 - 12 - 6378/2.9=3, 5430/5402=3...(4) Peak 6380 from nnoeabs.peaks (0.84, 7.44, 122.42 ppm; 4.46 A): 3 out of 9 assignments used, quality = 0.96: QG2 ILE 16 + H ALA 76 OK 78 96 - 82 - 7055/3.0=26, 4589/2.9=25...(19) QG2 ILE 37 + H ALA 76 OK 64 99 - 65 - 5288/3.6=16, 5302=16...(15) QG2 ILE 80 + H ALA 76 OK 46 100 - 46 - ~6386=10, 6416/4.6=7...(14) QG2 VAL 30 - H ALA 76 OK 43 100 - 43 - 5066=8, 2.1/5070=6...(13) QG1 VAL 30 - H ALA 76 OK 43 100 - 43 - 2.1/5066=6, 5070=6...(14) QG2 ILE 40 - H ALA 76 OK 15 68 - 22 - 3.3/5402=6, 6384/2.9=3...(6) QD2 LEU 62 - H ALA 76 OK 14 100 - 13 - 6384/2.9=1, 6364/3.6=1...(4) QG2 VAL 25 - H ALA 76 poor 9 73 - 12 - 2.1/6369=2, 6384/2.9=2...(4) QG1 VAL 18 - H ALA 76 poor 8 63 - 12 - 2.1/4692=4, 6364/3.6=1 Peak 6388 from nnoeabs.peaks (7.08, 7.44, 122.42 ppm; 4.34 A): 0 out of 1 assignment used, low quality = 0.00: QD PHE 17 - H ALA 76 lone 5 65 - 7 - 2.4/6371=6 Peak 6413 from nnoeabs.peaks (1.41, 7.20, 116.16 ppm; 4.06 A): 6 out of 11 assignments used, quality = 0.90: QB ALA 78 + H LYS 77 OK 79 93 - 84 - 2.9/1118=39, 6431=20...(18) HG3 LYS 63 + H LYS 77 OK 18 81 - 22 - 3.0/348=5, 2.9/945=4...(6) HG2 LYS 63 + H LYS 77 OK 18 81 - 22 - 3.0/348=5, 2.9/945=4...(6) HG3 LYS 45 + H LYS 77 OK 13 97 - 13 - 2.9/944=2, 2.9/944=2...(6) HG2 LYS 41 + H LYS 77 OK 11 92 - 11 - 6368/4.6=3, 3.0/5486=1...(5) HG2 LYS 61 + H LYS 77 OK 10 99 - 10 - 6368/4.6=1, 6414/3.0=1 HG3 LYS 61 - H LYS 77 poor 10 98 - 10 - 6368/4.6=1, 6414/3.0=1 HB3 LEU 53 - H LYS 77 lone 4 73 - 6 - HD3 LYS 86 - H LYS 77 lone 4 98 - 4 - HG13 ILE 51 - H LYS 77 lone 2 81 - 2 - HG3 LYS 94 - H LYS 77 lone 2 60 - 2 - Peak 6416 from nnoeabs.peaks (0.84, 7.20, 116.16 ppm; 4.45 A): 3 out of 9 assignments used, quality = 0.94: QG2 ILE 80 + H LYS 77 OK 79 100 - 79 - 3.0/6417=21, ~4471=14...(18) QG2 ILE 16 + H LYS 77 OK 53 96 - 55 - 7055/3.6=22, 4589/3.6=22...(10) QG2 ILE 37 + H LYS 77 OK 46 99 - 46 - 5302/4.6=8, 6448/4.6=6...(15) QG2 VAL 30 - H LYS 77 OK 24 100 - 24 - 5066/4.6=5, 6382/3.6=3...(9) QG1 VAL 30 - H LYS 77 OK 23 100 - 23 - 5070/4.6=5, 6384/3.6=4...(7) QD2 LEU 62 - H LYS 77 OK 11 100 - 10 - 6418/3.0=1, 6384/3.6=1 QG2 ILE 40 - H LYS 77 poor 9 68 - 14 - 6384/3.6=3, 6382/3.6=2...(4) QG2 VAL 25 - H LYS 77 lone 7 73 - 9 - 2.1/3260=2, 6384/3.6=2...(4) QG1 VAL 18 - H LYS 77 lone 3 63 - 5 - Peak 6417 from nnoeabs.peaks (-0.16, 7.20, 116.16 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 80 + H LYS 77 OK 74 87 - 86 - 6420/3.0=29, 6386/3.6=17...(19) QD2 LEU 21 + H LYS 77 OK 28 68 - 41 - 6420/3.0=11, 6386/3.6=11...(10) Peak 6448 from nnoeabs.peaks (0.86, 7.87, 119.69 ppm; 4.45 A): 3 out of 9 assignments used, quality = 0.93: QG2 ILE 37 + H ALA 78 OK 76 99 - 77 - 7159/2.9=20, ~6456=12...(20) QG2 ILE 80 + H ALA 78 OK 60 96 - 63 - 4.0/1191=26, 6418/3.6=9...(15) QG2 ILE 16 + H ALA 78 OK 26 68 - 39 - 5318/4.6=5, 7055/4463=5...(13) QG2 VAL 30 - H ALA 78 OK 25 98 - 25 - 6455/2.9=4, 6451/3.0=3...(12) QG1 VAL 30 - H ALA 78 OK 25 92 - 27 - 6455/2.9=4, 6451/3.0=3...(12) QD2 LEU 62 - H ALA 78 OK 12 87 - 13 - 6455/2.9=2, 6451/3.0=2...(5) QD1 ILE 51 - H ALA 78 poor 10 90 - 11 - 5742/4.7=1, 6455/2.9=1 QG1 VAL 18 - H ALA 78 lone 7 93 - 7 - 6480/4.6=2 QG2 THR 42 - H ALA 78 lone 6 85 - 7 - 3.2/1183=1, 5499/3.0=1 Peak 6457 from nnoeabs.peaks (8.49, 8.12, 120.33 ppm; 4.70 A): 6 out of 6 assignments used, quality = 0.95: H TRP 82 + H ALA 79 OK 66 99 - 67 - 1203/3.6=21, 1202/3.0=15...(12) H PHE 83 + H ALA 79 OK 58 98 - 59 - 1208/3.0=17, 6602/2.9=13...(11) H ASP 72 + H ALA 79 OK 27 97 - 27 - 4.5/6245=4, 4.5/6246=4...(8) H ALA 98 + H ALA 79 OK 24 95 - 25 - 6459/2.9=3, 6998/3.6=3...(10) H LEU 21 + H ALA 79 OK 22 85 - 26 - 4.7/6482=6, 6459/2.9=4...(7) H THR 42 + H ALA 79 OK 18 90 - 19 - 4.6/6479=3, 178/3.7=3...(6) Peak 6468 from nnoeabs.peaks (7.46, 8.12, 120.33 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.75: H ALA 76 + H ALA 79 OK 75 87 - 86 - 3.0/1187=35, 3.6/4462=25...(13) Peak 6479 from nnoeabs.peaks (1.19, 8.12, 120.33 ppm; 4.53 A): 2 out of 4 assignments used, quality = 0.96: HG13 ILE 37 + H ALA 79 OK 93 97 - 96 - 5322=28, 2.1/5323=26...(27) HG13 ILE 16 + H ALA 79 OK 44 60 - 73 - 2.1/6482=22, ~6493=19...(15) HB3 LYS 41 - H ALA 79 OK 23 99 - 23 - 6454/3.7=4, 3.0/361=4...(9) HG13 ILE 27 - H ALA 79 poor 9 60 - 15 - 6474/2.9=3, ~6475=3...(6) Peak 6480 from nnoeabs.peaks (0.86, 8.12, 120.33 ppm; 3.53 A): 3 out of 9 assignments used, quality = 0.96: QG2 ILE 37 + H ALA 79 OK 84 99 - 85 - 5318=22, 3.3/5323=13...(30) QG2 ILE 80 + H ALA 79 OK 57 96 - 60 - 4.0/362=18, 4.4/1196=9...(18) QG2 ILE 16 + H ALA 79 OK 42 68 - 62 - 3.1/6482=11, 5318=9...(19) QG2 VAL 30 - H ALA 79 OK 20 98 - 20 - 3.9/7133=2, 6490/2.9=2...(8) QG1 VAL 30 - H ALA 79 OK 18 92 - 20 - 3.9/7133=2, 6490/2.9=2...(8) QG1 VAL 18 - H ALA 79 OK 17 93 - 19 - ~6492=11, 6490/2.9=1...(4) QD2 LEU 62 - H ALA 79 OK 10 87 - 12 - 6455/3.7=1, 6490/2.9=1...(4) QD1 ILE 51 - H ALA 79 lone 7 90 - 8 - 5746/2.9=2 QG2 THR 42 - H ALA 79 lone 5 85 - 6 - 4.0/6457=1 Peak 6481 from nnoeabs.peaks (0.35, 8.12, 120.33 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 37 + H ALA 79 OK 96 100 - 96 - 5323=30, 6487/3.0=23...(31) HG13 ILE 80 + H ALA 79 OK 61 95 - 64 - 4.8/362=20, 6491/2.9=12...(14) Peak 6482 from nnoeabs.peaks (0.26, 8.12, 120.33 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 16 + H ALA 79 OK 85 100 - 85 - 6493/2.9=34, 6488/3.0=25...(22) QD1 LEU 21 + H ALA 79 OK 34 76 - 45 - 6493/2.9=15, ~6495=10...(9) Peak 6496 from nnoeabs.peaks (0.99, 7.57, 119.63 ppm; 3.77 A): 3 out of 3 assignments used, quality = 0.88: QG1 VAL 95 + H ILE 80 OK 81 99 - 82 - 6499/3.0=20, 6920=19...(20) QB ALA 66 + H ILE 80 OK 28 68 - 42 - 6499/3.0=9, 6475/3.7=6...(11) QD1 LEU 62 + H ILE 80 OK 11 95 - 12 - 6475/3.7=2, 2.1/957=2...(6) Peak 6497 from nnoeabs.peaks (0.28, 7.57, 119.63 ppm; 4.58 A): 3 out of 3 assignments used, quality = 0.88: QD1 ILE 16 + H ILE 80 OK 64 83 - 77 - 6493/3.7=26, 6498/3.0=14...(17) QD1 LEU 21 + H ILE 80 OK 61 100 - 61 - 2.1/960=15, 6493/3.7=11...(16) QG2 VAL 68 + H ILE 80 OK 19 85 - 22 - 6129/3.7=3, 6125/6496=3...(7) Peak 6511 from nnoeabs.peaks (2.71, 7.57, 119.63 ppm; 4.87 A): 2 out of 5 assignments used, quality = 0.55: HB2 ASP 81 + H ILE 80 OK 50 100 - 50 - 963/4.6=25, 4.4/1201=14...(7) HB3 ASP 72 + H ILE 80 OK 11 99 - 11 - 4.1/1194=3, 6292/3.6=3 HB3 PHE 17 - H ILE 80 lone 8 100 - 8 - 4676/4.8=2, 963/4.6=1 HB3 ASN 13 - H ILE 80 lone 6 100 - 6 - 963/4.6=2 HB3 ASN 24 - H ILE 80 lone 3 98 - 3 - Peak 6547 from nnoeabs.peaks (3.10, 7.96, 117.78 ppm; 4.58 A): 5 out of 12 assignments used, quality = 0.88: HB3 TRP 82 + H ASP 81 OK 67 100 - 67 - 968/4.6=22, 1.8/6548=21...(10) HB3 TRP 82 + H ASP 84 OK 34 59 - 58 - 379/4.7=20, 6562=12...(8) HE3 LYS 77 + H ASP 81 OK 24 99 - 25 - 5.6/1198=9, 3.8/6549=6...(4) HE2 LYS 77 + H ASP 81 OK 16 65 - 24 - 5.6/1198=9, 3.8/6549=6...(4) HB2 TYR 33 + H ASP 81 OK 14 100 - 14 - 5168/4.0=3, 968/4.6=2...(4) HB2 TYR 33 - H ASP 84 poor 7 58 - 11 - 1696/4.6=5, 379/4.7=3 HE3 LYS 41 - H ASP 81 lone 6 99 - 6 - 968/4.6=2 HE3 LYS 77 - H ASP 84 lone 5 57 - 10 - 5.6/4472=4, 3.8/6549=1 HE2 LYS 77 - H ASP 84 lone 3 32 - 9 - 5.6/4472=4, 3.8/6549=1 HE3 LYS 41 - H ASP 84 lone 3 57 - 5 - 379/4.7=2 HB2 ASP 56 - H ASP 81 lone 1 60 - 2 - HB2 ASP 56 - H ASP 84 lone 0 29 - 2 - Peak 6548 from nnoeabs.peaks (2.53, 7.96, 117.78 ppm; 4.53 A): 2 out of 8 assignments used, quality = 0.72: HB2 TRP 82 + H ASP 81 OK 61 96 - 64 - 967/4.6=19, 1.8/6547=14...(11) HB2 TRP 82 + H ASP 84 OK 30 53 - 57 - 378/4.7=19, 6558=11...(8) HB2 ASN 13 - H ASP 81 lone 9 100 - 9 - 967/4.6=3, 1.8/963=2, 4.0/1196=1 HB3 ASN 14 - H ASP 81 lone 6 99 - 6 - 967/4.6=2 HB3 ASN 14 - H ASP 84 lone 4 57 - 7 - 378/4.7=3, 1.8/389=1 HB2 ASN 13 - H ASP 84 lone 3 59 - 5 - 378/4.7=3 HB3 ASN 43 - H ASP 81 lone 2 76 - 2 - HB3 ASN 43 - H ASP 84 lone 1 38 - 3 - 5516/4.6=1 Peak 6549 from nnoeabs.peaks (1.59, 7.96, 117.78 ppm; 4.38 A): 5 out of 12 assignments used, quality = 0.69: QB ALA 76 + H ASP 81 OK 30 96 - 32 - 4.8/1198=10, 6396/4.6=8...(6) HG3 LYS 77 + H ASP 81 OK 25 85 - 30 - 3.8/1198=12, 6502/4.5=6...(7) HG2 LYS 77 + H ASP 81 OK 25 83 - 30 - 3.8/1198=12, 6502/4.5=6...(7) QB ALA 76 + H ASP 84 OK 13 53 - 25 - 6396/4.6=7, 4.8/4472=4...(7) HB3 PRO 49 + H ASP 81 OK 10 71 - 15 - 6502/4.5=5, 5636/4.4=4...(4) HG3 LYS 77 - H ASP 84 poor 5 44 - 12 - 3.8/4472=5, 6507/4327=1 HG2 LYS 77 - H ASP 84 poor 5 43 - 12 - 3.8/4472=5 HD2 LYS 63 - H ASP 81 lone 5 99 - 5 - HD2 LYS 63 - H ASP 84 lone 3 58 - 5 - 7103/3.6=2 HB3 PRO 49 - H ASP 84 lone 3 35 - 7 - 5744/5710=1 HB3 GLU 87 - H ASP 81 lone 2 60 - 3 - HB3 GLU 87 - H ASP 84 lone 1 29 - 3 - Peak 6566 from nnoeabs.peaks (6.99, 9.78, 127.96 ppm; 4.02 A): 2 out of 9 assignments used, quality = 0.69: QE PHE 83 + HE1 TRP 82 OK 62 99 - 63 - 4839/2.6=20, ~4801=14...(11) HZ PHE 88 + HE1 TRP 82 OK 16 96 - 17 - 4839/2.6=5, ~4723=5...(5) HE22 GLN 48 - HE1 TRP 82 lone 7 95 - 7 - 4839/2.6=3, 6559/5.3=1 HD21 ASN 13 - HE1 TRP 82 lone 6 65 - 10 - 7163/2.6=3, 4507/2.8=3 QE PHE 17 - HE1 TRP 82 lone 6 78 - 8 - 7163/2.6=2, 6560/6.4=2 HE22 GLN 19 - HE1 TRP 82 lone 5 89 - 5 - 7163/2.6=2, 6559/5.3=1 QE PHE 70 - HE1 TRP 82 lone 5 73 - 7 - 4839/2.6=3 HD21 ASN 24 - HE1 TRP 82 lone 4 100 - 3 - 4839/2.6=1 HD21 ASN 52 - HE1 TRP 82 lone 3 99 - 3 - 4839/2.6=1 Peak 6571 from nnoeabs.peaks (2.44, 9.78, 127.96 ppm; 4.39 A): 0 out of 4 assignments used, low quality = 0.15: HE2 LYS 86 - HE1 TRP 82 OK 15 100 - 15 - 5881/2.8=8, 3.0/6573=7 HB3 ASP 56 - HE1 TRP 82 lone 8 100 - 8 - 5881/2.8=5, ~4581=1 HG2 GLN 36 - HE1 TRP 82 lone 4 81 - 5 - 5279/6587=2, 5259/6566=1 HG3 GLU 28 - HE1 TRP 82 lone 1 73 - 1 - Peak 6573 from nnoeabs.peaks (1.41, 9.78, 127.96 ppm; 4.59 A): 2 out of 11 assignments used, quality = 0.58: QB ALA 78 + HE1 TRP 82 OK 44 93 - 48 - 6435/2.6=22, ~6434=17...(7) HD3 LYS 86 + HE1 TRP 82 OK 24 98 - 24 - 3.0/6571=18, ~5881=5, 6569/5.3=1 HG2 LYS 41 - HE1 TRP 82 lone 9 92 - 10 - 6569/5.3=3, 6570/2.6=3 HG3 LYS 45 - HE1 TRP 82 lone 5 97 - 5 - 6569/5.3=1, 6570/2.6=1 HB3 LEU 53 - HE1 TRP 82 lone 4 73 - 6 - 6570/2.6=2, 6569/5.3=2 HG2 LYS 61 - HE1 TRP 82 lone 3 99 - 3 - HG3 LYS 61 - HE1 TRP 82 lone 3 98 - 3 - HG2 LYS 63 - HE1 TRP 82 lone 2 81 - 2 - HG3 LYS 63 - HE1 TRP 82 lone 2 81 - 2 - HG13 ILE 51 - HE1 TRP 82 lone 1 81 - 1 - HG3 LYS 94 - HE1 TRP 82 lone 1 60 - 1 - Peak 6576 from nnoeabs.peaks (1.40, 8.49, 117.22 ppm; 4.04 A): 5 out of 14 assignments used, quality = 0.84: QB ALA 78 + H TRP 82 OK 70 100 - 70 - 2.1/1203=22, 6446/4.4=13...(17) HG2 LYS 41 + H TRP 82 OK 19 100 - 19 - 6569/4.0=4, 3.8/968=2...(8) HG2 LYS 41 + H ASP 72 OK 19 45 - 43 - 6262/3.6=18, 4165=4...(12) HG3 LYS 45 + H TRP 82 OK 11 99 - 11 - 6553/4.4=2, 6551/4.4=2 HB3 LEU 53 + H TRP 82 OK 10 99 - 10 - 6569/4.0=2, 6553/4.4=2...(4) QB ALA 78 - H ASP 72 poor 10 45 - 21 - 6433=4, 2.1/4479=3...(9) HD3 LYS 86 - H TRP 82 poor 7 68 - 10 - ~6579=2, 6569/4.0=1...(4) HG2 LYS 61 - H TRP 82 lone 4 71 - 5 - HG3 LYS 61 - H TRP 82 lone 3 68 - 5 - HG3 LYS 45 - H ASP 72 lone 3 43 - 8 - 6262/3.6=3, 7121/4.5=1 HB3 LEU 53 - H ASP 72 lone 1 43 - 3 - 6262/3.6=1 HG2 LYS 61 - H ASP 72 lone 1 26 - 5 - 6262/3.6=2, 7121/4.5=1 HG3 LYS 61 - H ASP 72 lone 1 25 - 5 - 6262/3.6=1, 7121/4.5=1 HD3 LYS 86 - H ASP 72 lone 1 25 - 4 - Peak 6577 from nnoeabs.peaks (0.85, 8.49, 117.22 ppm; 4.37 A): 5 out of 18 assignments used, quality = 0.94: QG2 ILE 80 + H TRP 82 OK 73 99 - 75 - 4.4/372=15, 7125/3.6=15...(19) QG2 ILE 37 + H TRP 82 OK 58 100 - 58 - 3.3/6578=16, ~6580=10...(19) QG2 VAL 30 + H TRP 82 OK 20 100 - 20 - 3.9/372=3, 6583/4.0=2...(8) QG2 ILE 16 + H TRP 82 OK 19 78 - 25 - 6609/4.6=2, 6581/4.0=2...(11) QG1 VAL 30 + H TRP 82 OK 19 97 - 20 - 3.9/372=3, 6583/4.0=2...(7) QD2 LEU 62 - H TRP 82 poor 10 93 - 10 - 6583/4.0=1, 6609/4.6=1...(4) QG2 ILE 80 - H ASP 72 poor 7 43 - 17 - 6541=3, 4.0/1194=2...(7) QG1 VAL 18 - H TRP 82 lone 7 87 - 9 - 4687/4.6=2, 4687=1 QG2 ILE 37 - H ASP 72 poor 7 45 - 16 - 3.3/5324=2, 5319=2...(4) QD1 ILE 51 - H TRP 82 lone 5 83 - 6 - 5710/4.6=2 QG2 THR 42 - H TRP 82 lone 4 76 - 5 - QG2 ILE 16 - H ASP 72 poor 3 29 - 11 - 4.4/4649=2, 4643=1, 2.1/4641=1 QG1 VAL 18 - H ASP 72 lone 3 34 - 9 - ~4704=2, 4687=2, ~4700=1 QG2 THR 42 - H ASP 72 lone 2 28 - 8 - 6273/4.5=2, 2144=1...(4) QG2 VAL 30 - H ASP 72 lone 2 44 - 5 - QD1 ILE 51 - H ASP 72 lone 2 32 - 7 - 6273/4.5=3 QG1 VAL 30 - H ASP 72 lone 2 41 - 4 - QD2 LEU 62 - H ASP 72 lone 1 38 - 3 - Peak 6578 from nnoeabs.peaks (0.35, 8.49, 117.22 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.94: QD1 ILE 37 + H TRP 82 OK 85 100 - 86 - 5278/4.0=24, 6584/4.0=21...(21) HG13 ILE 80 + H TRP 82 OK 61 95 - 64 - 3.8/1200=11, 4.8/1201=10...(18) QD1 ILE 37 - H ASP 72 poor 8 45 - 17 - 5324=3, 7079/4.8=3...(4) HG13 ILE 80 - H ASP 72 poor 5 39 - 13 - 4.8/1194=2, 3.8/4487=2...(5) Peak 6587 from nnoeabs.peaks (0.37, 9.78, 127.96 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.82: QD1 ILE 37 + HE1 TRP 82 OK 69 81 - 86 - 5315/2.6=30, ~5316=20...(17) HG13 ILE 80 + HE1 TRP 82 OK 41 100 - 41 - 4729/2.6=9, 6535/2.8=7...(10) Peak 6589 from nnoeabs.peaks (7.00, 8.48, 111.91 ppm; 5.06 A): 6 out of 8 assignments used, quality = 0.92: QE PHE 83 + H PHE 83 OK 81 89 - 91 - 6.4=48, 4.4/978=28...(14) HD21 ASN 13 + H PHE 83 OK 21 87 - 25 - 4503=4, 3.5/378=4...(8) HZ PHE 88 + H PHE 83 OK 19 81 - 24 - 6559/4.3=5, 6560/3.6=4...(6) HE22 GLN 48 + H PHE 83 OK 15 78 - 18 - ~572=3, 6559/4.3=2...(6) HE22 GLN 19 + H PHE 83 OK 13 99 - 13 - 6560/3.6=3, 1.7/1124=3 QE PHE 17 + H PHE 83 OK 11 95 - 12 - 6560/3.6=5, 6.5/4649=2 HD21 ASN 24 - H PHE 83 lone 5 99 - 5 - HD21 ASN 52 - H PHE 83 lone 5 92 - 5 - 6559/4.3=1 Peak 6590 from nnoeabs.peaks (6.88, 8.48, 111.91 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.82: QE PHE 34 + H PHE 83 OK 63 100 - 63 - 5212/4.0=19, 6597/4.0=17...(11) HZ PHE 34 + H PHE 83 OK 52 93 - 55 - 6597/4.0=15, 6594/4.0=15...(10) QE TYR 54 - H PHE 83 lone 3 63 - 5 - Peak 6601 from nnoeabs.peaks (2.75, 8.48, 111.91 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.47: HB3 PHE 34 + H PHE 83 OK 31 87 - 36 - 4.4/6590=13, 5.8/6590=8...(7) HB3 ASP 84 + H PHE 83 OK 23 76 - 31 - 4.0/1124=17, 4.5/6641=8...(6) HB2 ASP 32 - H PHE 83 lone 10 100 - 9 - 4114/4.4=2, 4419/3.6=2 HB3 PHE 70 - H PHE 83 poor 8 68 - 12 - 1.8/977=3, 3542/4.7=1 Peak 6602 from nnoeabs.peaks (1.68, 8.48, 111.91 ppm; 4.71 A): 2 out of 20 assignments used, quality = 0.75: QB ALA 79 + H PHE 83 OK 71 99 - 72 - 2.1/1208=20, 3.7/982=13...(16) HB ILE 40 + H PHE 83 OK 15 99 - 15 - 2.1/5386=3, 6607/4.4=3...(4) HG12 ILE 27 - H PHE 83 poor 10 87 - 11 - 2.1/6608=3, 6607/4.4=1 HD3 LYS 94 - H PHE 83 lone 9 100 - 9 - 6898/6603=1 HD2 LYS 94 - H PHE 83 lone 9 100 - 9 - 6898/6603=1 HD3 LYS 63 - H PHE 83 lone 7 100 - 7 - 5.0/1208=2, ~7103=2 HG12 ILE 39 - H PHE 83 lone 6 90 - 6 - 2.1/5381=1 HD2 LYS 61 - H PHE 83 lone 6 100 - 6 - HD3 LYS 61 - H PHE 83 lone 6 100 - 6 - HB2 MET 50 - H PHE 83 lone 6 68 - 8 - 2.9/6678=1, 4735/4.4=1 HG3 GLN 19 - H PHE 83 lone 5 60 - 8 - 3.5/1124=2, 3.5/6589=2 HD2 LYS 44 - H PHE 83 lone 4 100 - 4 - HD3 LYS 44 - H PHE 83 lone 4 99 - 4 - HD3 LYS 45 - H PHE 83 lone 4 71 - 5 - HG3 ARG 57 - H PHE 83 lone 4 100 - 3 - HG2 ARG 57 - H PHE 83 lone 3 99 - 3 - HD2 LYS 45 - H PHE 83 lone 3 65 - 5 - HB3 LYS 61 - H PHE 83 lone 3 87 - 4 - HD3 LYS 35 - H PHE 83 lone 3 98 - 3 - HD2 LYS 77 - H PHE 83 lone 3 68 - 4 - 3.0/379=1 Peak 6603 from nnoeabs.peaks (1.10, 8.48, 111.91 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.84: QG2 VAL 95 + H PHE 83 OK 72 99 - 74 - 6884/4.0=23, 6604/4.0=18...(16) HG LEU 21 + H PHE 83 OK 42 100 - 42 - 1459=7, 6605/4.0=7...(13) QG2 THR 99 - H PHE 83 poor 7 68 - 10 - 6604/4.0=2, 6605/4.0=2...(4) QG2 THR 46 - H PHE 83 lone 2 76 - 3 - Peak 6608 from nnoeabs.peaks (0.97, 8.48, 111.91 ppm; 5.05 A): 3 out of 4 assignments used, quality = 0.81: QG1 VAL 95 + H PHE 83 OK 70 99 - 72 - 2.1/6603=26, 6615/4.0=19...(14) QB ALA 66 + H PHE 83 OK 26 96 - 28 - 6615/4.0=6, 6613/4.0=4...(9) QD1 LEU 62 + H PHE 83 OK 12 65 - 18 - 6613/4.0=4, 6615/4.0=3...(4) QD1 ILE 27 - H PHE 83 poor 9 73 - 12 - 2.1/6602=2, 6615/4.0=2...(4) Peak 6609 from nnoeabs.peaks (0.84, 8.48, 111.91 ppm; 4.92 A): 4 out of 8 assignments used, quality = 0.97: QG2 ILE 80 + H PHE 83 OK 76 99 - 77 - 3.2/1207=13, 4.4/1124=13...(21) QG2 ILE 37 + H PHE 83 OK 60 97 - 63 - 3.3/5324=11, 5303/4.4=10...(17) QG2 ILE 16 + H PHE 83 OK 46 99 - 47 - 4627/4.4=9, 4643=5...(20) QG1 VAL 30 + H PHE 83 OK 40 100 - 40 - 5047/4.0=6, 5071/4.4=6...(12) QG2 VAL 30 - H PHE 83 OK 34 98 - 35 - 3.9/1124=3, 5063/6590=3...(12) QD2 LEU 62 - H PHE 83 OK 19 100 - 18 - 2.1/6608=4, 4738/4.4=1...(5) QG2 ILE 40 - H PHE 83 OK 18 78 - 23 - 2.1/6602=3, 4738/4.4=3...(6) QG2 VAL 25 - H PHE 83 OK 16 83 - 19 - 4738/4.4=3, 5047/4.0=3...(6) Peak 6618 from nnoeabs.peaks (9.38, 7.95, 118.26 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.90: H VAL 95 + H ASP 84 OK 85 99 - 86 - 6619/2.9=39, 6620/4.0=26...(10) H VAL 95 + H ASP 81 OK 31 58 - 53 - 6543/3.6=23, 6924=10...(9) Peak 6627 from nnoeabs.peaks (5.20, 8.62, 115.40 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.83: HA LYS 94 + H GLY 85 OK 75 99 - 75 - 6870=28, 3.6/6640=21...(12) HA ILE 16 + H GLY 85 OK 31 96 - 32 - 6645/3.0=6, 6644/3.0=6...(9) Peak 6628 from nnoeabs.peaks (1.96, 7.95, 118.26 ppm; 3.79 A): 5 out of 20 assignments used, quality = 0.85: HB VAL 95 + H ASP 84 OK 71 93 - 76 - 2.1/6632=17, 6877/2.9=16...(13) HB VAL 95 + H ASP 81 OK 20 51 - 40 - 6513/3.6=14, 6517/4.4=9...(7) HB2 LYS 45 + H ASP 84 OK 13 97 - 13 - 6629/2.9=3, 6630/4.0=2...(5) HB3 LYS 45 + H ASP 84 OK 13 97 - 13 - 6629/2.9=3, 6630/4.0=2...(5) HG3 PRO 73 + H ASP 84 OK 11 97 - 11 - 6317/4.3=2, 6629/2.9=2...(6) HB2 LYS 77 - H ASP 81 poor 9 46 - 20 - 3.0/4472=9, 6513/3.6=4...(6) HB2 LYS 77 - H ASP 84 lone 8 87 - 9 - 3.0/4472=4, 6629/2.9=1 HG3 PRO 49 - H ASP 84 lone 6 83 - 8 - 6517/4324=1 HG3 PRO 49 - H ASP 81 poor 6 43 - 13 - 6517/4.4=6, 6513/3.6=4 HB3 GLU 28 - H ASP 84 lone 4 87 - 4 - HG2 GLN 19 - H ASP 84 lone 3 92 - 3 - HB2 GLU 65 - H ASP 84 lone 3 89 - 3 - 6646/4.6=1 HB2 LYS 45 - H ASP 81 lone 3 55 - 5 - 6513/3.6=1, 6517/4.4=1 HB3 LYS 45 - H ASP 81 lone 3 55 - 5 - 6513/3.6=1, 6517/4.4=1 HG3 PRO 73 - H ASP 81 lone 2 55 - 4 - HG3 PRO 74 - H ASP 84 lone 2 73 - 3 - HB3 GLU 28 - H ASP 81 lone 2 46 - 5 - 3.0/4411=1 HG2 GLN 19 - H ASP 81 lone 1 50 - 3 - HG3 PRO 74 - H ASP 81 lone 1 37 - 2 - HB2 GLU 65 - H ASP 81 lone 1 47 - 1 - Peak 6632 from nnoeabs.peaks (1.10, 7.95, 118.26 ppm; 3.90 A): 3 out of 8 assignments used, quality = 0.95: QG2 VAL 95 + H ASP 84 OK 89 100 - 90 - 6635/2.9=24, 6923=19...(18) HG LEU 21 + H ASP 84 OK 31 100 - 31 - 6603/4.7=6, 6635/2.9=5...(8) QG2 VAL 95 + H ASP 81 OK 31 58 - 53 - 6500/3.6=15, 6923=12...(13) QG2 THR 99 - H ASP 84 OK 11 76 - 14 - 6635/2.9=3, 6637/4.0=2...(8) HG LEU 21 - H ASP 81 OK 11 59 - 18 - 6500/3.6=8, 4817/4.4=2...(4) QG2 THR 46 - H ASP 84 lone 4 68 - 5 - 6649/4.6=1 QG2 THR 99 - H ASP 81 lone 2 38 - 4 - QG2 THR 46 - H ASP 81 lone 1 33 - 2 - Peak 6633 from nnoeabs.peaks (0.99, 7.95, 118.26 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.94: QG1 VAL 95 + H ASP 84 OK 90 99 - 91 - 6636/2.9=23, 2.1/6632=21...(20) QG1 VAL 95 + H ASP 81 OK 38 58 - 66 - 6499/3.6=21, 6496/4.6=17...(13) QD1 LEU 62 - H ASP 84 OK 19 95 - 20 - 6636/2.9=4, 6613/4.3=3...(8) QB ALA 66 - H ASP 84 OK 15 68 - 22 - 6615/4.3=4, 6608/4.7=4...(10) QB ALA 66 - H ASP 81 poor 10 33 - 29 - 6499/3.6=9, 6501/4.5=6...(7) QD1 LEU 62 - H ASP 81 lone 5 52 - 10 - 6496/4.6=2, 6499/3.6=2 Peak 6634 from nnoeabs.peaks (0.86, 7.95, 118.26 ppm; 4.12 A): 10 out of 18 assignments used, quality = 0.94: QG2 ILE 80 + H ASP 84 OK 58 89 - 66 - 4324=13, 2.1/4323=12...(16) QG2 ILE 80 + H ASP 81 OK 45 47 - 95 - 4.4=85, 2.1/4323=22...(15) QG2 ILE 37 + H ASP 84 OK 23 96 - 24 - 5303/4.6=7, 7080/4.3=4...(6) QG1 VAL 30 + H ASP 84 OK 18 83 - 21 - 5071/4.6=3, 5047/4.3=3...(8) QG2 ILE 37 + H ASP 81 OK 18 53 - 33 - ~7079=8, 5303/4.6=6...(9) QG2 VAL 30 + H ASP 84 OK 17 93 - 18 - 2.1/1665=2, 6639/4.0=2...(7) QD1 ILE 51 + H ASP 84 OK 16 97 - 16 - 5710=4, 3.2/5704=3...(4) QD2 LEU 62 + H ASP 84 OK 12 76 - 16 - 2.1/6633=4, 6639/4.0=3...(5) QG1 VAL 18 + H ASP 84 OK 12 98 - 12 - 4715/6632=4, 4687/4.7=2...(4) QG2 VAL 30 + H ASP 81 OK 10 51 - 21 - 1660=2, 2.1/1665=2...(7) QG1 VAL 30 - H ASP 81 poor 8 43 - 18 - 2.1/1660=2, 1665=2...(6) QD1 ILE 51 - H ASP 81 poor 7 54 - 14 - 5710=4, 3.2/5704=3 QG2 THR 42 - H ASP 84 lone 7 93 - 7 - 7189/3.6=2, 5510/4.6=1 QG1 VAL 18 - H ASP 81 lone 5 56 - 9 - 4715/6923=2, 4717/4327=1 QD2 LEU 62 - H ASP 81 lone 3 38 - 8 - 2.1/6633=1 QG2 THR 42 - H ASP 81 lone 2 51 - 4 - QG2 ILE 39 - H ASP 84 lone 2 71 - 2 - QG2 ILE 39 - H ASP 81 lone 1 35 - 3 - Peak 6640 from nnoeabs.peaks (9.37, 8.62, 115.40 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.86: H VAL 95 + H GLY 85 OK 86 100 - 86 - 6925=31, 6619/3.6=30...(12) Peak 6641 from nnoeabs.peaks (8.48, 8.62, 115.40 ppm; 4.74 A): 6 out of 8 assignments used, quality = 0.78: H PHE 83 + H GLY 85 OK 44 100 - 44 - 4.7/1125=21, 6601/4.5=8...(7) H LEU 21 + H GLY 85 OK 22 93 - 23 - 5.2/6649=6, 6670/4.5=5...(6) H ALA 98 + H GLY 85 OK 20 99 - 20 - 6996/6627=5, 4.4/396=4...(7) H TRP 82 + H GLY 85 OK 17 97 - 18 - 372/4.6=8, 4.6/394=5, 1202/3.0=3 H ILE 93 + H GLY 85 OK 14 68 - 21 - 4.9/7130=6, 6670/4.5=5...(6) H ASP 72 + H GLY 85 OK 13 100 - 13 - 6279/3.0=3, ~6283=3...(5) H THR 42 - H GLY 85 lone 9 97 - 9 - 4.0/5510=2, 6670/4.5=2 H THR 15 - H GLY 85 lone 3 65 - 5 - 4639/6627=1 Peak 6646 from nnoeabs.peaks (1.96, 8.62, 115.40 ppm; 4.88 A): 6 out of 10 assignments used, quality = 0.94: HB VAL 95 + H GLY 85 OK 82 97 - 84 - 2.1/6928=38, 3.9/6640=34...(9) HB3 LYS 45 + H GLY 85 OK 29 99 - 29 - 6629/3.6=4, 5551=4...(11) HB2 LYS 45 + H GLY 85 OK 29 99 - 29 - 6629/3.6=4, 5551=4...(11) HB2 GLU 65 + H GLY 85 OK 16 81 - 20 - ~6650=4, 1.8/6647=4...(7) HG3 PRO 73 + H GLY 85 OK 15 99 - 14 - 6629/3.6=3, ~6650=2...(6) HG3 PRO 74 + H GLY 85 OK 13 63 - 20 - 2.3/6647=3, ~6339=3...(7) HG3 PRO 49 - H GLY 85 lone 7 90 - 7 - 6630/4.5=1, 6629/3.6=1...(4) HG2 GLN 19 - H GLY 85 lone 6 85 - 7 - 3.5/394=1, 4734/6648=1 HB2 LYS 77 - H GLY 85 lone 4 78 - 5 - 6629/3.6=1, 6628/4.6=1 HB3 GLU 28 - H GLY 85 lone 3 78 - 3 - Peak 6647 from nnoeabs.peaks (1.83, 8.62, 115.40 ppm; 5.09 A): 5 out of 10 assignments used, quality = 0.92: HB2 LYS 94 + H GLY 85 OK 80 99 - 81 - 3.0/6870=35, 4.6/6640=31...(11) HB ILE 16 + H GLY 85 OK 25 63 - 40 - 3.0/6627=13, ~6645=8...(8) HB ILE 93 + H GLY 85 OK 21 78 - 27 - 3.0/7130=9, 6897/6928=5...(8) HB2 PRO 74 + H GLY 85 OK 19 99 - 19 - 6651/3.0=4, ~6340=3...(7) HB3 GLU 65 + H GLY 85 OK 19 99 - 19 - ~6650=4, ~6006=4...(7) HG LEU 62 - H GLY 85 poor 10 85 - 12 - 3.0/6648=2, 4257/4.5=2...(5) HB ILE 37 - H GLY 85 lone 7 71 - 10 - 6651/3.0=2, 6654/3.0=2...(6) HB2 GLN 48 - H GLY 85 lone 5 73 - 7 - 6897/6928=1, 439/6640=1 HB2 LYS 61 - H GLY 85 lone 4 99 - 4 - HB ILE 39 - H GLY 85 lone 3 99 - 3 - Peak 6648 from nnoeabs.peaks (1.52, 8.62, 115.40 ppm; 4.06 A): 5 out of 10 assignments used, quality = 0.93: HB3 LYS 94 + H GLY 85 OK 64 93 - 68 - 3.0/6870=25, 4.6/6640=20...(13) HG2 LYS 94 + H GLY 85 OK 50 89 - 57 - 4.0/6870=20, 4.9/6640=19...(10) HG13 ILE 93 + H GLY 85 OK 29 100 - 29 - 7130=7, 6810/4.5=5...(11) HD2 LYS 86 + H GLY 85 OK 28 85 - 33 - 5.7/398=16, 5.1/395=6...(6) HG2 LYS 86 + H GLY 85 OK 25 63 - 39 - 4.7/398=23, 4.0/395=8...(5) HG2 LYS 45 - H GLY 85 OK 16 99 - 16 - 3.0/6646=3, 3.0/6646=3...(5) HB3 LYS 63 - H GLY 85 OK 13 99 - 13 - 2906/4.5=3, 3.9/1126=2...(4) HB3 LEU 62 - H GLY 85 OK 12 100 - 12 - 7164/3.6=2, 4256/4.5=2...(5) HG3 LYS 41 - H GLY 85 lone 8 92 - 8 - 7130=2, 6810/4.5=1 HG LEU 53 - H GLY 85 lone 4 73 - 5 - 6899/6928=1 Peak 6649 from nnoeabs.peaks (1.10, 8.62, 115.40 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.89: QG2 VAL 95 + H GLY 85 OK 83 100 - 83 - 6928=39, 4.0/6640=23...(13) HG LEU 21 + H GLY 85 OK 35 100 - 35 - 6657/4.5=7, 6656/3.0=5...(13) QG2 THR 99 - H GLY 85 poor 10 78 - 12 - 6635/3.6=3, 6637/4.5=2...(6) QG2 THR 46 - H GLY 85 poor 9 65 - 13 - 3.2/395=2, 6656/3.0=2...(5) Peak 6657 from nnoeabs.peaks (1.11, 8.01, 120.17 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.75: QG2 VAL 95 + H LYS 86 OK 57 97 - 59 - 6928/4.5=20, 6656/3.6=10...(15) HG LEU 21 + H LYS 86 OK 42 99 - 42 - 6649/4.5=6, 6656/3.6=6...(15) QG2 THR 46 - H LYS 86 lone 7 81 - 8 - 6656/3.6=2, 6649/4.5=2 QG2 THR 99 - H LYS 86 lone 4 63 - 7 - 6649/4.5=2, 4.9/995=1 Peak 6658 from nnoeabs.peaks (0.79, 8.01, 120.17 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.71: QD1 ILE 93 + H LYS 86 OK 63 100 - 64 - 6841/4.0=12, 2.1/6811=11...(17) QG1 VAL 25 + H LYS 86 OK 20 100 - 20 - 4880=5, 4906/3.6=2...(8) QD1 LEU 53 - H LYS 86 lone 8 78 - 10 - 2.1/994=2, 6906/6657=1 QG2 VAL 25 - H LYS 86 poor 7 65 - 11 - 2.1/4880=4, 2.1/7153=1 QG2 ILE 40 - H LYS 86 lone 6 71 - 8 - 3.3/5399=2, 5667/4.0=1 Peak 6660 from nnoeabs.peaks (4.67, 8.01, 120.17 ppm; 3.82 A): 3 out of 5 assignments used, quality = 0.70: HA PHE 83 + H LYS 86 OK 53 97 - 56 - 3.0/6668=14, 3.7/6671=10...(11) HA PRO 92 + H LYS 86 OK 24 92 - 26 - 3.5/6670=5, 6661/4.0=5...(8) HA GLN 48 + H LYS 86 OK 16 100 - 16 - 6661/4.0=4, 6662/4.0=3...(7) HB THR 26 - H LYS 86 lone 5 95 - 5 - 2.1/995=2 HA SER 96 - H LYS 86 lone 3 68 - 4 - 6954/6657=1 Peak 6668 from nnoeabs.peaks (3.50, 8.01, 120.17 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.57: HB3 PHE 83 + H LYS 86 OK 52 78 - 67 - 3.0/6660=23, 2.4/6671=21...(9) HA ILE 27 + H LYS 86 OK 11 99 - 11 - 7127/4.7=4, 7128/4.0=1 HB2 ASN 14 - H LYS 86 lone 9 93 - 9 - 7127/4.7=2, 4528/4.0=2...(4) Peak 6669 from nnoeabs.peaks (5.19, 8.01, 120.17 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.81: HA LYS 94 + H LYS 86 OK 71 100 - 72 - 6870/4.5=24, 6863/3.6=19...(15) HA ILE 16 + H LYS 86 OK 34 97 - 35 - 6645/3.6=11, 6644/3.6=10...(6) Peak 6670 from nnoeabs.peaks (8.47, 8.01, 120.17 ppm; 4.12 A): 5 out of 9 assignments used, quality = 0.86: H PHE 83 + H LYS 86 OK 49 97 - 51 - 3.0/6660=17, 4.0/6668=14...(10) H LEU 21 + H LYS 86 OK 40 100 - 40 - 1073=7, 5.2/6657=6...(13) H ILE 93 + H LYS 86 OK 39 96 - 41 - 5.0/6658=11, 3.5/6660=7...(11) H ALA 98 + H LYS 86 OK 17 99 - 17 - 6996/6669=3, 6641/4.5=2...(5) H THR 42 + H LYS 86 OK 11 100 - 11 - 179/4.7=2, 6693/4.6=2 H ASP 72 - H LYS 86 lone 9 98 - 9 - 6279/3.6=2, 6641/4.5=1 H THR 15 - H LYS 86 lone 7 95 - 7 - 4.6/6668=2 H TRP 82 - H LYS 86 lone 6 71 - 8 - 6641/4.5=2, 1202/3.6=1 H ASP 71 - H LYS 86 lone 3 87 - 4 - Peak 6671 from nnoeabs.peaks (7.57, 8.01, 120.17 ppm; 4.96 A): 3 out of 3 assignments used, quality = 0.90: QD PHE 83 + H LYS 86 OK 79 97 - 82 - 2.4/6668=26, 3.7/6660=20...(13) H ILE 80 + H LYS 86 OK 42 100 - 42 - 6672/4.0=8, 6673/4.0=7...(11) HE21 GLN 48 + H LYS 86 OK 20 95 - 21 - 6672/4.0=4, 5.9/6660=4...(7) Peak 6693 from nnoeabs.peaks (8.49, 8.19, 115.59 ppm; 5.07 A): 4 out of 6 assignments used, quality = 0.58: H LEU 21 + H GLU 87 OK 31 85 - 36 - 6699/4.6=5, 6670/4.6=5...(14) H PHE 83 + H GLU 87 OK 19 98 - 20 - 6678/4.6=8, 6670/4.6=6...(4) H ALA 98 + H GLU 87 OK 15 95 - 16 - 2.9/406=2, 6699/4.6=2...(7) H THR 42 + H GLU 87 OK 12 90 - 13 - 179/4.8=2, 6678/4.6=2...(4) H ASP 72 - H GLU 87 lone 7 97 - 7 - 6670/4.6=1 H TRP 82 - H GLU 87 lone 4 99 - 4 - 6678/4.6=1 Peak 6698 from nnoeabs.peaks (7.77, 9.16, 126.95 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.85: H ASN 91 + H PHE 88 OK 82 100 - 82 - 6777=44, 6763/3.0=17...(13) H LYS 61 + H PHE 88 OK 14 97 - 13 - 6777=5, 7213/4.1=2...(5) Peak 6699 from nnoeabs.peaks (8.47, 9.16, 126.95 ppm; 4.39 A): 4 out of 9 assignments used, quality = 0.89: H ILE 93 + H PHE 88 OK 75 96 - 79 - 4.0/6799=27, 6795=27...(14) H LEU 21 + H PHE 88 OK 41 100 - 41 - 4.7/6712=10, 6795=7...(13) H ALA 98 + H PHE 88 OK 17 99 - 17 - 459/3.6=3, 6693/4.6=2...(7) H PHE 83 + H PHE 88 OK 12 97 - 13 - 6693/4.6=3, 3816/6799=2...(5) H ASP 72 - H PHE 88 lone 7 98 - 7 - 6795=1, 6693/4.6=1 H THR 42 - H PHE 88 lone 7 100 - 7 - 6693/4.6=2 H ASP 71 - H PHE 88 lone 5 87 - 5 - H THR 15 - H PHE 88 lone 4 95 - 4 - H TRP 82 - H PHE 88 lone 2 71 - 3 - Peak 6710 from nnoeabs.peaks (1.36, 9.16, 126.95 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.83: HG12 ILE 93 + H PHE 88 OK 81 99 - 81 - 3.2/6799=37, 2.1/6812=26...(8) HG12 ILE 37 + H PHE 88 OK 11 100 - 11 - 7199/6.5=6, 5304/8.2=2 HB VAL 68 - H PHE 88 lone 5 96 - 5 - 6163/8.2=2 HB3 LEU 53 - H PHE 88 lone 3 76 - 3 - 3.0/412=1 Peak 6711 from nnoeabs.peaks (0.73, 9.16, 126.95 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.89: QG2 ILE 93 + H PHE 88 OK 82 97 - 84 - 6799=35, 6834/3.6=16...(17) QG2 ILE 51 + H PHE 88 OK 26 95 - 27 - 6714/3.6=6, 6718/3.6=6...(7) QD1 ILE 40 + H PHE 88 OK 16 87 - 18 - 4748/4.5=3, 6713/3.0=3...(6) Peak 6712 from nnoeabs.peaks (-0.17, 9.16, 126.95 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.77: QD2 LEU 21 + H PHE 88 OK 57 81 - 70 - 6719/3.6=20, 6720/3.6=18...(12) QD1 ILE 80 + H PHE 88 OK 48 95 - 51 - 6719/3.6=13, 6723/4.5=11...(11) Peak 6716 from nnoeabs.peaks (0.81, 9.16, 126.95 ppm; 5.02 A): 5 out of 6 assignments used, quality = 0.92: QD1 ILE 93 + H PHE 88 OK 73 78 - 93 - 3.1/6799=40, 2.1/6710=33...(15) QG1 VAL 25 + H PHE 88 OK 31 87 - 36 - 4890/4.5=13, 6717/3.6=8...(7) QG2 VAL 25 + H PHE 88 OK 31 99 - 32 - 4889/4.5=9, 6715/3.6=9...(6) QG2 ILE 40 + H PHE 88 OK 29 99 - 29 - 3.3/6711=6, 6715/3.6=5...(8) QG2 ILE 16 + H PHE 88 OK 13 83 - 16 - 4747/4.5=3, 4586/6712=3...(6) QD2 LEU 62 - H PHE 88 lone 4 63 - 6 - 2.1/415=1 Peak 6739 from nnoeabs.peaks (1.56, 8.43, 103.32 ppm; 4.72 A): 4 out of 8 assignments used, quality = 0.92: HB3 GLU 87 + H GLY 90 OK 84 100 - 84 - 6687/3.0=31, 6745/3.0=19...(13) HG2 LYS 77 + H GLY 90 OK 20 96 - 21 - 6745/3.0=4, 6742/3.0=4...(9) HG3 LYS 77 + H GLY 90 OK 20 95 - 21 - 6745/3.0=4, 6742/3.0=4...(9) HG3 LYS 44 + H GLY 90 OK 18 100 - 18 - 6745/3.0=4, 6742/3.0=4...(8) HD2 LYS 86 - H GLY 90 lone 4 93 - 5 - HB3 PRO 49 - H GLY 90 lone 4 99 - 4 - HB3 LYS 63 - H GLY 90 lone 4 65 - 5 - 1.8/6746=1 HB3 LYS 94 - H GLY 90 lone 2 85 - 2 - Peak 6746 from nnoeabs.peaks (1.89, 8.43, 103.32 ppm; 5.00 A): 8 out of 10 assignments used, quality = 0.95: HB2 GLU 87 + H GLY 90 OK 85 99 - 86 - ~6687=25, 1.8/6739=23...(13) HB2 PRO 92 + H GLY 90 OK 16 76 - 22 - 7212/4.6=7, 6686/3.0=4...(8) HD3 LYS 77 + H GLY 90 OK 16 76 - 21 - 3.0/6739=5, 3.0/6739=5...(7) HB3 LYS 44 + H GLY 90 OK 14 65 - 21 - 2.9/6739=4, 6686/3.0=3...(9) HB3 ARG 57 + H GLY 90 OK 13 100 - 13 - 3.0/5894=5, 6740/3.0=2...(6) HB2 ARG 57 + H GLY 90 OK 13 100 - 13 - 3.0/5894=5, 6740/3.0=2...(6) HB2 LYS 44 + H GLY 90 OK 12 57 - 21 - 2.9/6739=4, 6740/3.0=3...(8) HB2 LEU 62 + H GLY 90 OK 11 100 - 11 - 6740/3.0=2, ~6744=2...(6) HB2 LYS 63 - H GLY 90 lone 7 98 - 7 - 6740/3.0=1, 6748/4.6=1 HB ILE 27 - H GLY 90 lone 2 73 - 3 - Peak 6747 from nnoeabs.peaks (2.19, 7.76, 119.06 ppm; 4.20 A): 4 out of 18 assignments used, quality = 1.00: HG3 PRO 92 + H ASN 91 OK 88 93 - 95 - 2.3/6761=32, 6789/3.0=27...(18) HB3 PRO 92 + H ASN 91 OK 79 87 - 91 - 3.0/6761=28, 6786/3.0=20...(19) HG3 GLU 87 + H ASN 91 OK 76 97 - 78 - 3.8/6764=21, 3.0/7213=20...(14) HB2 PHE 88 + H ASN 91 OK 53 97 - 55 - 3.6/6777=31, 3.0/6763=25...(4) HG3 GLU 87 - H LYS 61 poor 7 52 - 13 - 3.0/7213=4, 3.8/6764=2...(5) HG2 GLU 65 - H ASN 91 lone 6 100 - 6 - 6690/3.0=2 HB VAL 30 - H ASN 91 lone 5 100 - 5 - 5043/6802=2 HB2 PHE 88 - H LYS 61 lone 5 52 - 9 - 3.6/6698=5, 3.0/6763=2 HB3 GLN 48 - H ASN 91 lone 4 99 - 4 - HB3 LYS 35 - H ASN 91 lone 3 65 - 4 - HG3 PRO 92 - H LYS 61 lone 2 48 - 4 - HB2 PRO 73 - H ASN 91 lone 2 73 - 3 - HB3 PRO 92 - H LYS 61 lone 2 43 - 4 - HB VAL 30 - H LYS 61 lone 1 55 - 3 - HG2 GLU 65 - H LYS 61 lone 1 55 - 3 - HB3 LYS 35 - H LYS 61 lone 1 30 - 5 - HB3 GLN 48 - H LYS 61 lone 1 53 - 2 - HB2 PRO 73 - H LYS 61 lone 1 34 - 2 - Peak 6748 from nnoeabs.peaks (1.90, 7.76, 119.06 ppm; 4.27 A): 2 out of 10 assignments used, quality = 0.82: HB2 GLU 87 + H ASN 91 OK 78 92 - 85 - 4.1/6777=28, 3.0/6764=26...(13) HB2 LEU 62 + H LYS 61 OK 19 54 - 35 - 2851/4.5=26, 3.0/6749=4...(5) HB2 LYS 63 - H LYS 61 poor 10 43 - 23 - 875/4.5=6, 2.9/2794=3...(9) HB2 GLU 87 - H LYS 61 poor 8 47 - 17 - 1.8/7213=5, 4.1/6698=4...(5) HB2 ARG 57 - H ASN 91 lone 7 100 - 7 - 3.0/6762=3, 6746/4.6=1 HB3 ARG 57 - H ASN 91 lone 7 100 - 7 - 3.0/6762=3, 6746/4.6=1 HB2 LEU 62 - H ASN 91 lone 6 99 - 6 - 6740/3.6=1, 3.0/6749=1 HB2 LYS 63 - H ASN 91 lone 5 87 - 6 - HB2 ARG 57 - H LYS 61 lone 2 55 - 5 - 3.0/6762=3 HB3 ARG 57 - H LYS 61 lone 2 55 - 5 - 3.0/6762=3 Peak 6749 from nnoeabs.peaks (1.80, 7.76, 119.06 ppm; 4.30 A): 3 out of 14 assignments used, quality = 0.94: HG2 GLU 87 + H ASN 91 OK 87 100 - 87 - 6691/3.0=24, 3.8/6764=22...(14) HB ILE 93 + H ASN 91 OK 37 99 - 37 - 2.1/6802=21, 415/6777=6...(7) HG LEU 62 + H LYS 61 OK 21 53 - 40 - 2865/4.5=26, ~2873=5...(6) HG2 GLU 87 - H LYS 61 poor 7 56 - 13 - 3.0/7213=4, 3.8/6764=3...(4) HG LEU 62 - H ASN 91 lone 7 98 - 7 - 6744/3.6=2, 6741/3.6=1 HB ILE 93 - H LYS 61 lone 5 55 - 8 - 2.1/6802=4, 6797/4.5=2 HB2 GLN 48 - H ASN 91 lone 4 100 - 4 - HB2 LYS 94 - H LYS 61 lone 4 40 - 9 - 877/4.5=2, 3.4/2814=1 HB3 GLU 65 - H ASN 91 lone 3 78 - 4 - HB ILE 39 - H ASN 91 lone 2 83 - 3 - 5365/4.8=1 HB2 LYS 94 - H ASN 91 lone 2 83 - 2 - HB2 GLN 48 - H LYS 61 lone 1 55 - 3 - HB3 GLU 65 - H LYS 61 lone 1 37 - 3 - HB ILE 39 - H LYS 61 lone 1 40 - 2 - Peak 6750 from nnoeabs.peaks (1.57, 7.76, 119.06 ppm; 3.90 A): 2 out of 14 assignments used, quality = 0.84: HB3 GLU 87 + H ASN 91 OK 82 97 - 85 - 4.1/6777=24, 3.0/6764=23...(14) HG3 LYS 44 + H ASN 91 OK 10 90 - 11 - 6745/3.6=2, 6742/3.6=2...(4) HG2 LYS 77 - H ASN 91 lone 9 100 - 9 - 6745/3.6=3, 6739/4.6=2 HG3 LYS 77 - H ASN 91 lone 9 100 - 9 - 6745/3.6=3, 6739/4.6=2 HB3 GLU 87 - H LYS 61 poor 8 51 - 14 - 7213=4, 4.1/6698=4...(5) HD2 LYS 63 - H LYS 61 poor 6 34 - 16 - 3.0/2794=3, 3.0/2794=3...(7) HG3 LYS 44 - H LYS 61 poor 5 45 - 10 - 3.9/2834=1, 3.9/2834=1 HB3 PRO 49 - H ASN 91 lone 4 99 - 4 - HD2 LYS 86 - H ASN 91 lone 3 63 - 5 - 414/6777=1, 3.0/5878=1 HD2 LYS 63 - H ASN 91 lone 3 73 - 4 - HD2 LYS 86 - H LYS 61 lone 2 28 - 7 - 3.0/5878=4 HG3 LYS 77 - H LYS 61 lone 2 56 - 3 - HG2 LYS 77 - H LYS 61 lone 2 56 - 3 - HB3 PRO 49 - H LYS 61 lone 1 54 - 1 - Peak 6759 from nnoeabs.peaks (3.46, 7.76, 119.06 ppm; 4.88 A): 2 out of 8 assignments used, quality = 0.77: HB2 SER 89 + H ASN 91 OK 74 97 - 77 - 6731=33, 1.8/6736=28...(9) HB2 SER 89 + H LYS 61 OK 10 51 - 20 - 6731=7, 1.8/6736=7...(5) HB2 PHE 70 - H ASN 91 lone 4 73 - 6 - 2.5/1022=2, 4.3/420=1 HD3 PRO 74 - H ASN 91 lone 4 96 - 4 - 4298/5922=1, 6771/5.7=1 HD3 PRO 74 - H LYS 61 lone 2 50 - 4 - 4298/5922=2 HB3 PHE 83 - H ASN 91 lone 1 73 - 2 - HB2 PHE 70 - H LYS 61 lone 1 34 - 3 - HB3 PHE 83 - H LYS 61 lone 1 34 - 1 - Peak 6760 from nnoeabs.peaks (3.81, 7.76, 119.06 ppm; 4.19 A): 2 out of 12 assignments used, quality = 0.96: HD2 PRO 92 + H ASN 91 OK 92 93 - 98 - 4.8=67, 6790/3.0=38...(18) HA SER 89 + H ASN 91 OK 48 99 - 49 - 3.0/6759=19, 3.0/6736=17...(7) HB THR 55 - H LYS 61 OK 22 37 - 60 - 2.1/5856=15, 4.6/5873=15...(10) HA ILE 40 - H ASN 91 OK 11 90 - 12 - 4.2/6776=4, 5383/5.7=1 HB THR 55 - H ASN 91 lone 8 78 - 10 - 4.6/5873=5, 2.1/5856=3 HA LYS 77 - H ASN 91 lone 6 90 - 7 - 3.8/6750=2, 3.8/6750=2 HA SER 89 - H LYS 61 poor 6 54 - 10 - 3.0/6736=4, 3.0/6731=4 HD2 PRO 92 - H LYS 61 lone 3 48 - 6 - 4.9/3741=1, 4.9/3741=1 HA LYS 77 - H LYS 61 lone 2 45 - 5 - HA ILE 40 - H LYS 61 lone 2 45 - 3 - HB3 SER 11 - H ASN 91 lone 1 85 - 1 - HB3 SER 11 - H LYS 61 lone 0 41 - 1 - Peak 6761 from nnoeabs.peaks (3.95, 7.76, 119.06 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.83: HD3 PRO 92 + H ASN 91 OK 83 85 - 98 - 4.8=70, 6758/3.0=36...(18) HD3 PRO 92 - H LYS 61 lone 2 41 - 5 - 4.9/3741=1, 4.9/3741=1 HB3 SER 96 - H ASN 91 lone 2 92 - 2 - 3.0/6764=1 HB3 SER 96 - H LYS 61 lone 1 47 - 2 - HA GLU 28 - H ASN 91 lone 1 57 - 1 - HA GLU 28 - H LYS 61 lone 0 26 - 1 - Peak 6762 from nnoeabs.peaks (4.02, 7.76, 119.06 ppm; 4.70 A): 3 out of 10 assignments used, quality = 0.66: HB3 SER 89 + H ASN 91 OK 56 85 - 67 - 1.8/6759=28, 6736=25...(8) HA ARG 57 + H LYS 61 OK 12 55 - 22 - 5894/4.6=16, 5888/5856=3 HA ARG 57 + H ASN 91 OK 12 100 - 12 - 5894/4.6=3, 5894/1104=3...(4) HB3 SER 89 - H LYS 61 poor 7 41 - 17 - 1.8/6731=6, 6736=6...(5) HA LYS 44 - H ASN 91 lone 6 73 - 9 - 3.7/6750=2, 3.0/7212=1 HA SER 75 - H LYS 61 lone 5 56 - 9 - 4460/4.7=2, 4460/4.7=2 HB2 SER 29 - H ASN 91 lone 4 98 - 4 - 6736=1 HA LYS 44 - H LYS 61 poor 4 34 - 12 - 6.3/2834=1, 6.3/2834=1...(5) HA SER 75 - H ASN 91 lone 4 100 - 3 - 6769/5.7=2 HB2 SER 29 - H LYS 61 lone 1 53 - 2 - Peak 6763 from nnoeabs.peaks (4.50, 7.76, 119.06 ppm; 4.54 A): 1 out of 4 assignments used, quality = 0.51: HA PHE 88 + H ASN 91 OK 51 92 - 56 - 3.0/6777=39, ~6778=15...(5) HA PHE 88 - H LYS 61 lone 4 47 - 9 - 3.0/6698=6 HA THR 46 - H ASN 91 lone 1 65 - 1 - HA THR 46 - H LYS 61 lone 0 30 - 1 - Peak 6764 from nnoeabs.peaks (4.69, 7.76, 119.06 ppm; 3.83 A): 1 out of 12 assignments used, quality = 0.58: HA GLU 87 + H ASN 91 OK 58 99 - 59 - 3.6/6777=27, 3.0/7213=17...(8) HA GLU 87 - H LYS 61 poor 6 54 - 11 - 3.6/6698=4, 3.0/7213=3 HA LEU 53 - H ASN 91 lone 2 99 - 2 - HA SER 96 - H ASN 91 lone 2 100 - 2 - HA GLN 48 - H ASN 91 lone 2 71 - 2 - HB THR 26 - H ASN 91 lone 1 97 - 1 - HA LEU 53 - H LYS 61 lone 1 54 - 2 - 7149/4.6=1 HA SER 96 - H LYS 61 lone 1 56 - 2 - HA THR 26 - H ASN 91 lone 1 73 - 1 - HB THR 26 - H LYS 61 lone 0 52 - 1 - HA GLN 48 - H LYS 61 lone 0 33 - 1 - HA THR 26 - H LYS 61 lone 0 34 - 1 - Peak 6768 from nnoeabs.peaks (4.12, 7.03, 114.75 ppm; 4.54 A): 1 out of 8 assignments used, quality = 0.68: HA3 GLY 22 + HD22 ASN 91 OK 68 97 - 71 - 6774/1.7=22, 3.0/6782=19...(8) HB2 SER 96 - HD22 ASN 91 lone 8 97 - 8 - 6774/1.7=3, 6939/3.5=2 HA GLN 36 - HD22 ASN 91 lone 7 98 - 7 - 6774/1.7=4, ~5256=2 HB THR 15 - HD22 ASN 91 lone 7 97 - 7 - 3.0/4544=3, 6774/1.7=3 HA GLU 23 - HD22 ASN 91 lone 7 100 - 7 - 4855/4842=3, 6774/1.7=2 HA THR 99 - HD22 ASN 91 lone 4 85 - 4 - 6774/1.7=1, 7132=1 HB THR 67 - HD22 ASN 91 lone 2 87 - 2 - HA VAL 25 - HD22 ASN 91 lone 1 57 - 2 - Peak 6769 from nnoeabs.peaks (4.01, 7.03, 114.75 ppm; 5.06 A): 1 out of 6 assignments used, quality = 0.74: HB3 SER 89 + HD22 ASN 91 OK 74 98 - 75 - 1.8/6771=31, 6735/1.7=26...(8) HA SER 75 - HD22 ASN 91 lone 10 95 - 10 - 3.0/6349=3, 2.9/6348=2 HB2 SER 29 - HD22 ASN 91 lone 4 100 - 4 - 6735/1.7=1 HA ARG 57 - HD22 ASN 91 lone 4 92 - 4 - 6762/5.7=2 HA LYS 44 - HD22 ASN 91 lone 3 93 - 3 - 6762/5.7=1 HA GLU 28 - HD22 ASN 91 lone 1 71 - 2 - Peak 6770 from nnoeabs.peaks (3.77, 7.03, 114.75 ppm; 4.66 A): 3 out of 9 assignments used, quality = 0.95: HA2 GLY 22 + HD22 ASN 91 OK 77 100 - 78 - 1.8/6768=27, 4842=21...(10) HD2 PRO 92 + HD22 ASN 91 OK 63 85 - 74 - 6790/4.6=27, 4.8/533=17...(9) HA SER 89 + HD22 ASN 91 OK 46 68 - 68 - 3.0/6771=22, 3.0/6769=22...(10) HA ILE 40 - HD22 ASN 91 OK 17 89 - 19 - 3.2/5391=3, 3.8/5393=3...(6) HA2 GLY 60 - HD22 ASN 91 OK 10 99 - 10 - 3.6/533=6, 6773/1.7=2 HA LYS 77 - HD22 ASN 91 lone 4 89 - 5 - 4.8/6393=1 HB3 SER 11 - HD22 ASN 91 lone 2 93 - 2 - HA2 GLY 64 - HD22 ASN 91 lone 2 57 - 3 - 5979/6782=1 HA VAL 30 - HD22 ASN 91 lone 1 63 - 2 - Peak 6771 from nnoeabs.peaks (3.47, 7.03, 114.75 ppm; 5.33 A): 1 out of 4 assignments used, quality = 0.54: HB2 SER 89 + HD22 ASN 91 OK 54 71 - 77 - 1.8/6769=34, 6730/1.7=23...(9) HD3 PRO 74 - HD22 ASN 91 lone 4 100 - 4 - HB2 ASN 14 - HD22 ASN 91 lone 3 87 - 4 - ~4505=1 HB3 PHE 83 - HD22 ASN 91 lone 2 97 - 2 - Peak 6773 from nnoeabs.peaks (3.78, 7.36, 114.75 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.98: HD2 PRO 92 + HD21 ASN 91 OK 75 98 - 77 - 6790/4.6=32, 6793/3.5=18...(9) HA2 GLY 22 + HD21 ASN 91 OK 75 98 - 77 - 1.8/6774=22, ~6768=19...(10) HA SER 89 + HD21 ASN 91 OK 60 90 - 67 - 3.0/6730=23, 3.0/6735=18...(10) HA ILE 40 - HD21 ASN 91 OK 13 99 - 13 - 5383/1.7=5, ~5391=3 HA2 GLY 60 - HD21 ASN 91 poor 9 87 - 11 - 3.6/527=6, 6770/1.7=2 HA LYS 77 - HD21 ASN 91 lone 5 99 - 5 - HB3 SER 11 - HD21 ASN 91 lone 2 100 - 2 - Peak 6774 from nnoeabs.peaks (4.12, 7.36, 114.75 ppm; 4.88 A): 2 out of 8 assignments used, quality = 0.78: HA3 GLY 22 + HD21 ASN 91 OK 75 97 - 78 - 6768/1.7=29, 4845=19...(8) HA GLN 36 + HD21 ASN 91 OK 12 98 - 12 - 5255=4, 6768/1.7=3, 2.9/5256=3 HB2 SER 96 - HD21 ASN 91 lone 9 97 - 9 - 6768/1.7=3, 6939/3.5=2 HB THR 15 - HD21 ASN 91 lone 9 97 - 9 - 6768/1.7=3, ~4544=2, 3.8/4540=2 HA GLU 23 - HD21 ASN 91 lone 8 100 - 8 - 4855/4843=3, 6768/1.7=3, 5255=1 HA THR 99 - HD21 ASN 91 lone 4 85 - 4 - 6768/1.7=2 HB THR 67 - HD21 ASN 91 lone 2 87 - 3 - HA VAL 25 - HD21 ASN 91 lone 1 57 - 2 - Peak 6776 from nnoeabs.peaks (0.74, 7.76, 119.06 ppm; 4.49 A): 3 out of 6 assignments used, quality = 0.66: QG2 ILE 93 + H ASN 91 OK 52 92 - 57 - 6802=23, 6799/6777=15...(10) QD1 ILE 40 + H ASN 91 OK 19 95 - 20 - 6775/3.6=4, 6775/3.6=4...(7) QG2 ILE 51 + H ASN 91 OK 12 87 - 13 - 6711/6777=4, 6713/6763=2...(4) QG2 ILE 51 - H LYS 61 poor 7 43 - 15 - 5705/4.6=4, 5718/3.6=3...(4) QG2 ILE 93 - H LYS 61 poor 5 47 - 10 - 6802=4, 6799/6698=2, 2.1/6749=1 QD1 ILE 40 - H LYS 61 lone 2 49 - 5 - Peak 6777 from nnoeabs.peaks (9.17, 7.76, 119.06 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.72: H PHE 88 + H ASN 91 OK 72 99 - 73 - 6698=32, 3.0/6763=14...(12) H PHE 88 - H LYS 61 poor 7 53 - 13 - 6698=6, 4.1/7213=2...(4) Peak 6782 from nnoeabs.peaks (8.02, 7.03, 114.75 ppm; 5.89 A): 1 out of 3 assignments used, quality = 0.61: H GLY 22 + HD22 ASN 91 OK 61 76 - 81 - 3.0/6768=30, 3.0/4842=25...(8) H LYS 86 - HD22 ASN 91 lone 3 98 - 3 - H LYS 63 - HD22 ASN 91 lone 2 76 - 3 - Peak 6795 from nnoeabs.peaks (9.17, 8.46, 117.14 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.81: H PHE 88 + H ILE 93 OK 76 95 - 80 - 6799/4.0=33, 6699=19...(14) H PHE 88 + H LEU 21 OK 20 44 - 46 - 6712/4.7=11, 6699=11...(13) H PHE 88 - H ASP 72 lone 3 38 - 9 - 6699=2 Peak 6855 from nnoeabs.peaks (0.87, 8.35, 122.18 ppm; 3.97 A): 5 out of 8 assignments used, quality = 0.91: QG1 VAL 18 + H LYS 94 OK 72 100 - 73 - 4688=24, 4702/3.6=20...(15) QD1 ILE 51 + H LYS 94 OK 46 100 - 46 - 3.2/433=10, 7035=8...(15) QG2 VAL 30 + H LYS 94 OK 18 76 - 24 - 4.2/6868=4, 5051/4.4=4...(6) QG2 ILE 39 + H LYS 94 OK 13 90 - 14 - 3.8/6868=5, 2.1/1032=2 QG2 THR 42 + H LYS 94 OK 12 100 - 12 - 2.1/6859=2, 4.0/7168=2...(5) QG1 VAL 30 - H LYS 94 poor 10 60 - 17 - 4.2/6868=4, 3.2/6859=4...(4) QG2 ILE 80 - H LYS 94 poor 9 68 - 13 - ~6533=3, 6905/6856=2...(5) QG2 ILE 37 - H LYS 94 poor 9 81 - 11 - 4.0/5317=3, 3.2/434=2 Peak 6856 from nnoeabs.peaks (1.11, 8.35, 122.18 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.93: QG2 VAL 95 + H LYS 94 OK 86 97 - 88 - 3944/4.5=26, 6858/3.0=21...(22) HG LEU 21 + H LYS 94 OK 53 99 - 54 - 6846/4.4=14, 6845/4.4=11...(12) QG2 THR 46 - H LYS 94 poor 9 81 - 10 - 4.3/5548=3, 6858/3.0=2...(4) QG2 THR 99 - H LYS 94 lone 5 63 - 8 - 6858/3.0=3, 1043/4.5=2 Peak 6857 from nnoeabs.peaks (2.13, 8.35, 122.18 ppm; 4.66 A): 3 out of 7 assignments used, quality = 0.79: HB2 GLN 19 + H LYS 94 OK 67 90 - 75 - 4.0/6868=23, 4747=23...(8) HB2 GLN 36 + H LYS 94 OK 22 87 - 26 - 3.0/5261=6, 4.0/132=6...(6) HG3 GLU 65 + H LYS 94 OK 18 99 - 19 - 6866/4.0=6, 6865/4.0=5...(7) HB2 GLU 58 - H LYS 94 lone 4 100 - 4 - 6865/4.0=1, 6866/4.0=1 HB3 LYS 77 - H LYS 94 lone 4 78 - 5 - 6865/4.0=1, 6866/4.0=1 HG2 PRO 74 - H LYS 94 lone 3 76 - 4 - HB3 GLU 58 - H LYS 94 lone 1 63 - 2 - Peak 6859 from nnoeabs.peaks (3.75, 8.35, 122.18 ppm; 4.62 A): 4 out of 6 assignments used, quality = 0.90: HA2 GLY 20 + H LYS 94 OK 80 97 - 82 - 1.8/6860=39, 4765/3.6=33...(10) HA VAL 30 + H LYS 94 OK 26 100 - 25 - 3.6/6868=6, 6830/3.6=5...(8) HA2 GLY 64 + H LYS 94 OK 23 100 - 24 - 6830/3.6=5, 5980/4.7=4...(10) HB THR 42 + H LYS 94 OK 11 92 - 12 - 2.1/6855=3, 4.0/7168=2...(4) HA2 GLY 22 - H LYS 94 poor 8 60 - 13 - 3.0/4847=9, 1.8/4848=2 HA2 GLY 60 - H LYS 94 lone 3 83 - 3 - Peak 6860 from nnoeabs.peaks (4.54, 8.35, 122.18 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.75: HA3 GLY 20 + H LYS 94 OK 75 99 - 76 - 4766/3.6=33, 4771=28...(9) HA ASN 43 - H LYS 94 lone 6 100 - 5 - 6829/3.6=2, 6820/4.4=1 Peak 6861 from nnoeabs.peaks (4.97, 8.35, 122.18 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.87: HA VAL 95 + H LYS 94 OK 76 99 - 76 - 3.0/1131=28, ~4382=17...(13) HA VAL 18 + H LYS 94 OK 48 98 - 49 - 3.6/6868=22, 3.2/4688=17...(8) HA ASN 24 - H LYS 94 lone 4 81 - 4 - Peak 6868 from nnoeabs.peaks (8.73, 8.35, 122.18 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.83: H GLN 19 + H LYS 94 OK 74 100 - 75 - 4745=32, 6797/4.4=11...(13) H ALA 31 + H LYS 94 OK 18 73 - 25 - 3.0/4436=4, 3.6/6859=3...(9) H ILE 40 + H LYS 94 OK 18 89 - 20 - 6871/4.0=3, 6796/3.6=3...(8) Peak 6873 from nnoeabs.peaks (2.78, 9.37, 125.38 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.93: HB3 ASP 84 + H VAL 95 OK 88 100 - 88 - 3.0/6619=37, 1.8/6620=36...(10) HB3 PHE 70 + H VAL 95 OK 25 100 - 25 - 6624=8, 6880/3.9=6...(5) HB3 PHE 34 + H VAL 95 OK 19 100 - 19 - 6886/4.0=6, 6880/3.9=5...(6) HB2 ASP 32 - H VAL 95 lone 6 81 - 7 - 6886/4.0=1, 6514/6543=1 Peak 6874 from nnoeabs.peaks (3.19, 9.37, 125.38 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.91: HB2 ASP 84 + H VAL 95 OK 88 100 - 88 - 6620=34, 3.0/6619=33...(11) HB2 PHE 97 + H VAL 95 OK 26 100 - 26 - 6885/4.0=6, 6862/3.6=6...(7) HD3 ARG 57 - H VAL 95 lone 10 93 - 10 - 6885/4.0=2, 6879/3.9=2...(4) HD2 ARG 57 - H VAL 95 lone 9 90 - 10 - 6885/4.0=2, 6879/3.9=2...(4) Peak 6875 from nnoeabs.peaks (4.47, 9.37, 125.38 ppm; 3.66 A): 3 out of 4 assignments used, quality = 0.92: HA ASP 84 + H VAL 95 OK 88 99 - 89 - 6619=49, 3.6/6640=21...(11) HA LYS 86 + H VAL 95 OK 25 100 - 25 - 6864/3.6=6, 6882/4.0=4...(9) HA THR 46 + H VAL 95 OK 12 100 - 12 - 3.6/6925=5, 6864/3.6=2...(4) HA PHE 88 - H VAL 95 lone 3 89 - 3 - 6882/4.0=2 Peak 6903 from nnoeabs.peaks (0.84, 9.37, 125.38 ppm; 4.61 A): 6 out of 8 assignments used, quality = 0.91: QG2 ILE 80 + H VAL 95 OK 68 99 - 68 - 3.2/6543=25, 6517/3.9=15...(12) QG2 ILE 16 + H VAL 95 OK 37 99 - 38 - 3.2/438=9, 6913/4.0=8...(7) QD2 LEU 62 + H VAL 95 OK 27 100 - 27 - 5961/3.0=4, 5967/4.5=4...(10) QG2 VAL 30 + H VAL 95 OK 18 98 - 18 - 6913/4.0=2, 3.9/6924=2...(8) QG1 VAL 30 + H VAL 95 OK 16 100 - 16 - 4904/4.0=3, 3.9/6924=2...(6) QG2 ILE 37 + H VAL 95 OK 12 97 - 12 - 6913/4.0=2, 6904/3.9=2...(5) QG2 VAL 25 - H VAL 95 lone 7 83 - 8 - 4904/4.0=4, 6904/3.9=1 QG2 ILE 40 - H VAL 95 lone 4 78 - 5 - Peak 6924 from nnoeabs.peaks (7.96, 9.37, 125.38 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.95: H ASP 84 + H VAL 95 OK 87 93 - 94 - 2.9/6619=47, 4.0/6620=34...(10) H ASP 81 + H VAL 95 OK 61 98 - 63 - 3.6/6543=30, 6618=12...(10) H VAL 30 - H VAL 95 OK 18 99 - 18 - 5039/4.0=4, 3.9/6903=3...(4) H PHE 34 - H VAL 95 OK 15 81 - 18 - 4.1/6873=5, 1086/4.5=4...(5) HE21 GLN 19 - H VAL 95 lone 7 90 - 8 - 6923/4.0=2, 3.5/1042=1 Peak 6925 from nnoeabs.peaks (8.63, 9.37, 125.38 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.82: H GLY 85 + H VAL 95 OK 76 87 - 88 - 6640=42, 3.6/6619=30...(11) H GLY 47 + H VAL 95 OK 23 100 - 22 - 6870/3.6=4, 5548/4.5=4...(7) Peak 6931 from nnoeabs.peaks (9.55, 8.93, 119.54 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.68: H PHE 17 + H SER 96 OK 68 97 - 70 - 1069=16, 6932/4.1=13...(15) Peak 6935 from nnoeabs.peaks (5.18, 8.93, 119.54 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.90: HA ILE 16 + H SER 96 OK 74 100 - 74 - 3.6/6931=32, 3.0/6941=14...(15) HA LYS 94 + H SER 96 OK 60 100 - 61 - 4382/4.6=28, 6858/4.2=15...(10) Peak 6936 from nnoeabs.peaks (8.73, 8.93, 119.54 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.77: H GLN 19 + H SER 96 OK 74 100 - 75 - 4.1/6944=29, 6929/4.2=21...(15) H ALA 31 + H SER 96 OK 11 73 - 15 - 6929/4.2=4, 4.2/6943=2...(5) H ILE 40 - H SER 96 lone 7 89 - 8 - 6929/4.2=3 Peak 6937 from nnoeabs.peaks (2.72, 8.93, 119.54 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.73: HB3 PHE 17 + H SER 96 OK 73 99 - 74 - 4.0/6931=36, 1.8/6938=33...(7) HB3 ASP 72 - H SER 96 lone 9 100 - 9 - 1.8/6938=4, 627/6931=2 HB3 ASN 13 - H SER 96 lone 5 100 - 5 - 627/6931=1 HB3 ASN 24 - H SER 96 lone 4 100 - 4 - HB2 ASP 81 - H SER 96 lone 2 100 - 2 - Peak 6938 from nnoeabs.peaks (2.83, 8.93, 119.54 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.69: HB2 PHE 17 + H SER 96 OK 64 96 - 67 - 4.0/6931=31, 1.8/6937=26...(8) HB2 TYR 54 + H SER 96 OK 13 99 - 13 - ~4697=5, 4.4/5852=2...(4) HB2 ASP 72 - H SER 96 lone 7 96 - 8 - 1.8/6937=3, 626/6931=2 HB3 TYR 33 - H SER 96 lone 3 92 - 3 - Peak 6941 from nnoeabs.peaks (1.85, 8.93, 119.54 ppm; 4.10 A): 4 out of 12 assignments used, quality = 0.81: HB ILE 16 + H SER 96 OK 64 97 - 66 - 4.4/6931=24, 3.0/6935=16...(9) HB2 LYS 94 + H SER 96 OK 28 68 - 41 - 4.6/447=18, 3.0/6935=13...(6) HB ILE 37 + H SER 96 OK 14 99 - 14 - 2.1/6943=2, 6894/4.2=2...(7) HB ILE 27 + H SER 96 OK 14 87 - 15 - 4944/3.0=3, 4943/4.1=2...(7) HB3 GLU 65 - H SER 96 lone 6 73 - 8 - 3.0/4271=2, 4721/6944=2 HB2 LYS 61 - H SER 96 lone 5 97 - 5 - HD3 LYS 77 - H SER 96 lone 5 85 - 6 - 6426/6947=2, 6527/6945=1 HB2 PRO 74 - H SER 96 lone 4 97 - 4 - HB ILE 39 - H SER 96 lone 2 68 - 3 - 4.4/6936=1 HB2 LYS 44 - H SER 96 lone 2 96 - 2 - HB3 LYS 44 - H SER 96 lone 2 92 - 2 - HB2 PRO 92 - H SER 96 lone 2 85 - 2 - Peak 6943 from nnoeabs.peaks (0.86, 8.93, 119.54 ppm; 4.03 A): 3 out of 9 assignments used, quality = 0.95: QG2 ILE 80 + H SER 96 OK 74 96 - 78 - 3.2/6945=21, 7126/3.0=17...(16) QG1 VAL 18 + H SER 96 OK 66 93 - 70 - 2.1/6944=31, 4.1/6936=15...(14) QG2 ILE 16 + H SER 96 OK 46 68 - 67 - 4.4/6931=24, 2.1/6941=15...(13) QG2 VAL 30 - H SER 96 OK 22 98 - 22 - 4.2/6936=2, 6905/4.2=2...(12) QG2 ILE 37 - H SER 96 OK 19 99 - 19 - 2.1/6941=3, 6905/4.2=2...(8) QG1 VAL 30 - H SER 96 OK 17 92 - 18 - 4.2/6936=2, 6951/4.1=2...(10) QD2 LEU 62 - H SER 96 OK 16 87 - 18 - 2.1/451=3, 5961/3.6=2...(7) QD1 ILE 51 - H SER 96 OK 13 90 - 14 - 5709/4.6=4, 5724/4.1=2...(5) QG2 THR 42 - H SER 96 OK 10 85 - 12 - 5509/4.6=5, 7189/3.0=3 Peak 6944 from nnoeabs.peaks (0.68, 8.93, 119.54 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 18 + H SER 96 OK 84 100 - 84 - 6907/4.2=32, 6912/4.2=21...(20) Peak 6945 from nnoeabs.peaks (0.37, 8.93, 119.54 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.86: HG13 ILE 80 + H SER 96 OK 86 97 - 88 - 6908/4.2=26, 6967/4.6=23...(13) QD1 ILE 37 - H SER 96 lone 7 68 - 10 - 3.2/6941=4, 3.3/6943=3 Peak 6946 from nnoeabs.peaks (0.27, 8.93, 119.54 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.94: QD1 ILE 16 + H SER 96 OK 74 90 - 82 - 6909/4.2=20, 4599/4.2=20...(18) QD1 LEU 21 + H SER 96 OK 70 98 - 71 - 2.1/6947=16, 2.1/450=14...(17) QG2 VAL 68 + H SER 96 OK 24 76 - 31 - 6125/4.2=7, 6173=4...(10) Peak 6947 from nnoeabs.peaks (-0.17, 8.93, 119.54 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 80 + H SER 96 OK 87 95 - 92 - 2.1/6945=34, 6955/3.0=28...(23) QD2 LEU 21 + H SER 96 OK 59 81 - 73 - 2.1/6946=15, 6955/3.0=15...(19) Peak 6956 from nnoeabs.peaks (5.20, 8.89, 119.91 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.76: HA ILE 16 + H PHE 97 OK 64 90 - 71 - 4615/2.9=26, 6996/4.6=26...(9) HA LYS 94 + H PHE 97 OK 33 97 - 33 - 6935/4.6=10, 6862/4.0=7...(7) Peak 6957 from nnoeabs.peaks (1.46, 8.89, 119.91 ppm; 5.18 A): 6 out of 7 assignments used, quality = 0.94: HG12 ILE 80 + H PHE 97 OK 78 97 - 80 - 1.8/6967=43, 2.1/6968=34...(7) HB ILE 51 + H PHE 97 OK 31 99 - 31 - 3.2/5709=9, 3.8/221=8...(6) HB2 LYS 41 + H PHE 97 OK 30 99 - 30 - 4.6/5506=9, 4.0/5483=8...(9) QG2 THR 67 + H PHE 97 OK 27 97 - 28 - 6069/4695=6, 6058/4.6=5...(7) QB ALA 31 + H PHE 97 OK 20 100 - 20 - 5095/4203=3, 4414/4.5=3...(6) HG3 LYS 94 + H PHE 97 OK 11 78 - 14 - 4.0/6956=11 HG2 LYS 44 - H PHE 97 lone 6 98 - 6 - Peak 6965 from nnoeabs.peaks (0.98, 8.89, 119.91 ppm; 5.20 A): 2 out of 4 assignments used, quality = 0.70: QG1 VAL 95 + H PHE 97 OK 55 100 - 55 - 451/4.6=28, 6505/6968=7...(11) QB ALA 66 + H PHE 97 OK 33 89 - 37 - 451/4.6=7, 4706/4695=5...(11) QD1 LEU 62 - H PHE 97 poor 9 78 - 11 - 451/4.6=3, 2.1/6966=2...(4) QD1 ILE 27 - H PHE 97 poor 7 60 - 12 - 4936/221=2, 6504/6967=2...(5) Peak 6966 from nnoeabs.peaks (0.85, 8.89, 119.91 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.92: QG2 ILE 80 + H PHE 97 OK 80 100 - 80 - 3.0/6968=25, 3.2/6967=23...(15) QG2 ILE 16 + H PHE 97 OK 51 89 - 57 - 3.2/6956=16, 7058/2.9=14...(12) QG2 VAL 30 + H PHE 97 OK 20 100 - 20 - 5065/4.5=4, 5108/6968=3...(7) QG2 ILE 37 - H PHE 97 OK 20 100 - 19 - 7017/4.6=4, 4144/4.5=3...(9) QG2 THR 42 - H PHE 97 OK 17 63 - 27 - 5509=9, 4.0/5506=7...(7) QG1 VAL 30 - H PHE 97 OK 15 99 - 15 - 5111/6968=2, 6971/4.5=2...(7) QD1 ILE 51 - H PHE 97 OK 15 71 - 21 - 5709=5, 2.1/6680=4...(5) QD2 LEU 62 - H PHE 97 OK 11 98 - 11 - 2.1/6965=2, 6949/4.5=2...(4) QG1 VAL 18 - H PHE 97 poor 10 76 - 13 - 6943/4.6=5, 4717/6968=2...(6) QG2 VAL 25 - H PHE 97 lone 5 60 - 7 - 4764/4.5=1 Peak 6967 from nnoeabs.peaks (0.38, 8.89, 119.91 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.76: HG13 ILE 80 + H PHE 97 OK 76 93 - 82 - 2.1/6968=34, 6945/4.6=24...(10) Peak 6968 from nnoeabs.peaks (-0.17, 8.89, 119.91 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 80 + H PHE 97 OK 72 95 - 77 - 2.1/6967=16, 6545=16...(17) QD2 LEU 21 + H PHE 97 OK 33 81 - 41 - 6955/3.6=8, 6970/4.0=5...(11) Peak 6983 from nnoeabs.peaks (9.55, 8.47, 124.60 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.84: H PHE 17 + H ALA 98 OK 84 97 - 87 - 6987/2.9=26, 3.6/6996=25...(15) Peak 6994 from nnoeabs.peaks (7.03, 8.47, 124.60 ppm; 4.33 A): 4 out of 7 assignments used, quality = 0.92: HD21 ASN 13 + H ALA 98 OK 75 97 - 77 - 4517/2.9=24, 4503=21...(9) QE PHE 17 + H ALA 98 OK 49 92 - 53 - ~6992=15, ~6990=15...(8) HZ PHE 17 + H ALA 98 OK 28 100 - 28 - 8.2/6983=7, 6991/2.9=7...(6) HZ3 TRP 82 + H ALA 98 OK 20 99 - 19 - 4.3/463=3, 6991/2.9=2...(10) HD22 ASN 91 - H ALA 98 lone 10 100 - 10 - 1.7/463=2, 3.5/459=1...(6) HE22 GLN 19 - H ALA 98 lone 8 83 - 9 - 548/3.6=2, 5.6/457=2...(4) QD PHE 70 - H ALA 98 lone 7 78 - 9 - 4625/7017=2, 6393/6401=1 Peak 6995 from nnoeabs.peaks (8.82, 8.47, 124.60 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.90: H ILE 16 + H ALA 98 OK 87 99 - 88 - 3.0/6996=38, 4.6/6983=33...(11) H ASN 43 + H ALA 98 OK 13 93 - 14 - 6985/2.9=4, 4.2/2144=3...(4) H GLU 28 + H ALA 98 OK 12 81 - 15 - 6985/2.9=7, 4.4/7010=2 Peak 6996 from nnoeabs.peaks (5.20, 8.47, 124.60 ppm; 3.23 A): 2 out of 2 assignments used, quality = 0.67: HA ILE 16 + H ALA 98 OK 61 92 - 67 - 3.6/6983=17, 7001/2.9=14...(13) HA LYS 94 + H ALA 98 OK 15 98 - 15 - 6956/4.6=3, 7001/2.9=3...(4) Peak 6998 from nnoeabs.peaks (4.15, 8.47, 124.60 ppm; 4.35 A): 5 out of 8 assignments used, quality = 0.91: HA THR 99 + H ALA 98 OK 69 90 - 76 - 3.0/1135=23, 7030/2.9=22...(10) HB THR 15 + H ALA 98 OK 50 73 - 69 - 4.4/6995=15, ~7014=14...(10) HA ALA 78 + H ALA 98 OK 20 100 - 20 - 4479=4, 2.1/6433=3...(6) HA VAL 25 + H ALA 98 OK 16 100 - 16 - 4896/2.9=6, ~4891=3...(4) HA GLN 36 + H ALA 98 OK 14 68 - 21 - 3.5/1135=8, 5247/2.9=3...(6) HA3 GLY 90 - H ALA 98 lone 4 99 - 4 - HA3 GLY 47 - H ALA 98 lone 1 76 - 2 - HA3 GLY 60 - H ALA 98 lone 1 76 - 1 - Peak 7009 from nnoeabs.peaks (2.71, 8.47, 124.60 ppm; 4.64 A): 3 out of 5 assignments used, quality = 0.98: HB3 PHE 17 + H ALA 98 OK 93 100 - 94 - 4.0/6983=31, 4677/2.9=27...(16) HB3 ASP 72 + H ALA 98 OK 50 97 - 52 - 3130=11, 1.8/3126=10...(10) HB3 ASN 13 + H ALA 98 OK 47 99 - 48 - 3.5/4503=14, 4763/4.9=14...(7) HB2 ASP 81 - H ALA 98 OK 23 97 - 23 - 4329=4, 7006/3.0=3...(9) HB3 ASN 24 - H ALA 98 lone 9 93 - 9 - 7008/2.9=2, 7006/3.0=1...(5) Peak 7010 from nnoeabs.peaks (1.87, 8.47, 124.60 ppm; 4.71 A): 5 out of 13 assignments used, quality = 0.93: HB ILE 16 + H ALA 98 OK 80 98 - 82 - 3.0/6996=35, 4.4/6983=29...(12) HB ILE 37 + H ALA 98 OK 42 96 - 44 - 3.9/1135=9, 2.1/7017=8...(11) HD3 LYS 77 + H ALA 98 OK 19 100 - 19 - 6408/4.9=12, 6426/7018=4 HB2 GLU 87 + H ALA 98 OK 13 89 - 14 - 4.0/6693=4, 4.1/6699=3...(5) HB ILE 27 + H ALA 98 OK 11 100 - 11 - 4.4/6995=2, 2.8/7012=2...(5) HB2 PRO 92 - H ALA 98 lone 6 100 - 6 - HB2 LYS 63 - H ALA 98 lone 4 93 - 4 - HB3 LYS 44 - H ALA 98 lone 3 100 - 2 - HB3 ARG 57 - H ALA 98 lone 3 65 - 4 - HB2 ARG 57 - H ALA 98 lone 3 65 - 4 - HB2 LYS 44 - H ALA 98 lone 3 99 - 2 - HB2 LEU 62 - H ALA 98 lone 2 71 - 3 - 3.1/7017=1 HB2 LYS 61 - H ALA 98 lone 2 60 - 3 - Peak 7012 from nnoeabs.peaks (1.17, 8.47, 124.60 ppm; 4.14 A): 4 out of 6 assignments used, quality = 0.89: QG2 THR 15 + H ALA 98 OK 61 97 - 62 - 7014/2.9=23, 4.1/6995=14...(9) HB2 LEU 21 + H ALA 98 OK 36 97 - 37 - 3.1/7018=11, 7014/2.9=6...(10) HB3 LEU 21 + H ALA 98 OK 36 96 - 37 - 3.1/7018=11, 7014/2.9=6...(10) HG13 ILE 37 + H ALA 98 OK 34 96 - 35 - 4.6/1135=6, 1942/4.6=6...(8) HG13 ILE 27 - H ALA 98 lone 9 99 - 9 - 7014/2.9=3, 2.8/7010=2 HB3 LYS 41 - H ALA 98 poor 7 60 - 11 - 1.8/4163=2, 4.0/1093=1...(4) Peak 7017 from nnoeabs.peaks (0.84, 8.47, 124.60 ppm; 3.98 A): 5 out of 9 assignments used, quality = 0.93: QG2 ILE 16 + H ALA 98 OK 73 96 - 77 - 3.2/6996=28, 4.4/6983=21...(13) QG2 ILE 80 + H ALA 98 OK 46 100 - 46 - 3.0/7018=13, 6519/4.4=11...(12) QG2 ILE 37 + H ALA 98 OK 40 99 - 40 - 4.0/1135=6, 2.1/7010=6...(12) QG2 VAL 30 + H ALA 98 OK 15 100 - 15 - 5065/4.9=3, 5108/7018=3...(4) QG1 VAL 30 + H ALA 98 OK 12 100 - 12 - 5111/7018=2, 6971/4.9=1...(4) QG2 VAL 25 - H ALA 98 poor 10 73 - 13 - 3.2/6998=2, ~4896=2...(5) QG2 ILE 40 - H ALA 98 poor 10 68 - 14 - 5385/4.6=2, 4764/4.9=2...(6) QD2 LEU 62 - H ALA 98 lone 7 100 - 6 - QG1 VAL 18 - H ALA 98 lone 5 63 - 9 - 4717/7018=2, 4687=1 Peak 7018 from nnoeabs.peaks (-0.18, 8.47, 124.60 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.93: QD1 ILE 80 + H ALA 98 OK 81 100 - 81 - 6531/3.6=24, 6537/4.9=18...(15) QD2 LEU 21 + H ALA 98 OK 64 99 - 65 - 4803/4.4=11, 6969/4.4=10...(15) Peak 7019 from nnoeabs.peaks (2.82, 7.81, 119.69 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.81: HB2 PHE 17 + H THR 99 OK 71 100 - 72 - 4652=33, 1.8/4653=29...(5) HB2 ASP 72 + H THR 99 OK 33 100 - 33 - 1.8/7020=10, 7007/3.6=10...(5) HB2 TYR 54 - H THR 99 lone 7 100 - 6 - 7007/3.6=3, 7005/3.6=2 HB3 TYR 33 - H THR 99 lone 5 99 - 5 - Peak 7020 from nnoeabs.peaks (2.72, 7.81, 119.69 ppm; 4.08 A): 4 out of 5 assignments used, quality = 0.80: HB3 PHE 17 + H THR 99 OK 62 99 - 63 - 1.8/4652=22, 4653=22...(6) HB3 ASP 72 + H THR 99 OK 26 100 - 27 - 1.8/7019=9, 7006/3.6=7...(5) HB3 ASN 13 + H THR 99 OK 16 100 - 16 - 7008/3.6=6, 7009/4.6=4...(4) HB2 ASP 81 + H THR 99 OK 12 100 - 12 - 4476/3.0=2, 4329/4.6=2...(6) HB3 ASN 24 - H THR 99 lone 6 100 - 6 - 7008/3.6=1, 7006/3.6=1 Peak 7049 from nnoeabs.peaks (3.05, 8.47, 118.31 ppm; 4.86 A): 4 out of 10 assignments used, quality = 0.86: HE2 LYS 41 + H THR 42 OK 79 100 - 79 - 2054/3.6=22, 3.8/179=21...(10) HB2 SER 75 + H THR 42 OK 17 87 - 20 - 6351=5, 4.0/6346=3...(7) HE2 LYS 41 + H THR 15 OK 14 61 - 22 - 1.8/4170=3, 3.8/178=3...(9) HE2 LYS 61 + H THR 42 OK 11 76 - 15 - 2054/3.6=4, 2064/4.6=4...(5) HE2 LYS 77 - H THR 42 lone 4 89 - 4 - HB2 ASP 56 - H THR 42 lone 3 92 - 4 - HB2 SER 75 - H THR 15 lone 3 48 - 7 - 4.0/6346=2, 1.8/6352=2, 6351=1 HB2 ASP 56 - H THR 15 lone 2 52 - 3 - HE2 LYS 61 - H THR 15 lone 1 40 - 3 - HE2 LYS 77 - H THR 15 lone 1 49 - 2 - Peak 7050 from nnoeabs.peaks (3.69, 7.58, 113.03 ppm; 5.31 A): 4 out of 5 assignments used, quality = 0.90: HD3 PRO 49 + HE21 GLN 48 OK 69 85 - 81 - 3.8/572=27, 4.8/571=21...(9) HA2 GLY 47 + HE21 GLN 48 OK 50 95 - 53 - 3.6/571=26, 5603/3.5=11...(7) HD2 PRO 74 + HE21 GLN 48 OK 27 100 - 26 - ~5604=5, ~5601=5...(8) HA LEU 21 + HE21 GLN 48 OK 14 100 - 13 - ~5616=2, ~5614=2...(5) HB2 SER 69 - HE21 GLN 48 lone 7 95 - 7 - 6185/3.5=2, 4.0/571=1...(4) Peak 7051 from nnoeabs.peaks (3.67, 6.98, 113.03 ppm; 5.35 A): 2 out of 8 assignments used, quality = 0.93: HD3 PRO 49 + HE22 GLN 48 OK 84 100 - 85 - 3.8/580=27, 5606/3.5=23...(9) HA2 GLY 47 + HE22 GLN 48 OK 53 98 - 55 - 5606/3.5=14, 5603/3.5=13...(7) HD2 PRO 74 - HE22 GLN 48 OK 21 73 - 29 - 5603/3.5=6, ~5604=5...(8) HA LEU 21 - HE22 GLN 48 OK 13 73 - 17 - 5603/3.5=2, ~5616=2...(7) HD3 PRO 49 - HD21 ASN 24 lone 1 61 - 2 - HA LEU 21 - HD21 ASN 24 lone 1 38 - 3 - HD2 PRO 74 - HD21 ASN 24 lone 1 38 - 3 - HA2 GLY 47 - HD21 ASN 24 lone 1 57 - 2 - Peak 7052 from nnoeabs.peaks (4.38, 8.88, 124.20 ppm; 3.75 A): 3 out of 10 assignments used, quality = 0.64: HA THR 42 + H MET 50 OK 53 100 - 54 - 3.2/5509=17, 5631/3.6=16...(6) HA PRO 73 + H MET 50 OK 14 85 - 16 - 2.5/220=4, 2.3/815=3...(7) HA SER 29 + H MET 50 OK 10 99 - 10 - 5505=3, 5631/3.6=2 HA PRO 74 - H MET 50 poor 8 68 - 12 - 2.3/816=4, 3.6/220=3...(5) HB THR 46 - H MET 50 lone 8 92 - 9 - 5557/5.0=4, 5631/3.6=2...(4) HA LEU 62 - H MET 50 lone 5 93 - 6 - 4.0/5657=2, 7092/5.0=1 HA ALA 98 - H MET 50 lone 5 99 - 5 - 3.0/456=2 HA SER 11 - H MET 50 lone 2 85 - 3 - 4.8/214=1 HA LYS 61 - H MET 50 lone 2 71 - 3 - HA TRP 82 - H MET 50 lone 2 92 - 2 - Peak 7053 from nnoeabs.peaks (4.80, 8.00, 118.02 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.47: HA THR 55 + H LYS 63 OK 37 100 - 38 - 3.2/5977=16, 3.6/5970=11...(6) HA ILE 51 + H LYS 63 OK 16 100 - 16 - 4.0/287=4, 7097/3.6=3...(7) HA PHE 70 - H LYS 63 lone 7 92 - 7 - 3.0/5970=3, 7097/3.6=1 Peak 7054 from nnoeabs.peaks (4.81, 7.68, 121.55 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.82: HA ILE 51 + H SER 69 OK 59 98 - 61 - 7115/3.6=16, 4.0/6182=15...(8) HA PHE 70 + H SER 69 OK 48 99 - 48 - ~320=13, ~4285=12...(7) HA THR 55 + H SER 69 OK 15 93 - 15 - 3.2/6182=6, 7115/3.6=3...(4) Peak 7133 from nnoeabs.peaks (7.98, 8.12, 120.33 ppm; 4.37 A): 5 out of 7 assignments used, quality = 0.81: H ASP 81 + H ALA 79 OK 53 81 - 66 - 4.6/362=23, 1196=22...(11) H ASP 84 + H ALA 79 OK 28 68 - 42 - 4.6/1120=9, 1196=9...(8) H VAL 30 + H ALA 79 OK 21 99 - 21 - 6461/2.9=5, 4480/3.0=3...(7) H GLY 22 + H ALA 79 OK 21 85 - 24 - 1074=6, 3.0/1185=4...(6) H PHE 34 + H ALA 79 OK 10 98 - 11 - 6461/2.9=6 HE21 GLN 19 - H ALA 79 lone 5 63 - 7 - 4474/3.6=1, 4480/3.0=1 H LYS 63 - H ALA 79 lone 4 85 - 5 - 6461/2.9=1 Peak 7141 from nnoeabs.peaks (4.77, 8.92, 123.68 ppm; 3.73 A): 3 out of 6 assignments used, quality = 0.73: HA TYR 54 + H ALA 66 OK 47 100 - 48 - ~5845=11, 6005/3.6=8...(10) HA GLN 19 + H ALA 66 OK 40 97 - 42 - 7138/3.6=17, 6007/5.0=6...(8) HA PHE 97 + H ALA 66 OK 15 100 - 15 - ~6965=3, 6005/3.6=3...(6) HA GLN 19 - H ASP 56 lone 2 57 - 3 - HA PHE 97 - H ASP 56 lone 1 62 - 2 - HA TYR 54 - H ASP 56 lone 1 61 - 2 - Peak 7156 from nnoeabs.peaks (4.33, 7.50, 116.16 ppm; 3.96 A): 4 out of 5 assignments used, quality = 0.78: HA PHE 34 + H GLN 36 OK 47 99 - 47 - 3.5/1087=22, 5179/4.6=14...(4) HA ASP 32 + H GLN 36 OK 33 73 - 45 - 5236/4.9=7, 4438/4.6=6...(14) HA ASP 81 + H GLN 36 OK 29 95 - 31 - 6555/4.6=6, 6554/4.6=5...(9) HB THR 59 + H GLN 36 OK 15 100 - 15 - 5236/4.9=2, 4440/4.6=2...(7) HA LYS 61 - H GLN 36 lone 2 68 - 3 - 5292/4.6=1 Peak 7167 from nnoeabs.peaks (8.49, 8.39, 118.50 ppm; 3.71 A): 0 out of 6 assignments used, low quality = 0.10: H TRP 82 - H ASN 14 OK 10 100 - 10 - 967/4.6=2, 374/4.6=2...(5) H PHE 83 - H ASN 14 poor 10 92 - 11 - 978/4.0=3, 378/4.0=3...(4) H ASP 72 - H ASN 14 poor 10 90 - 11 - 3.6/4537=3, 4.1/12=2...(4) H ALA 98 - H ASN 14 lone 4 85 - 5 - 7009/4.6=2 H THR 42 - H ASN 14 lone 2 78 - 2 - H LEU 21 - H ASN 14 lone 1 71 - 1 - Peak 7168 from nnoeabs.peaks (8.36, 8.46, 118.65 ppm; 3.71 A): 1 out of 10 assignments used, quality = 0.47: H ASN 14 + H THR 15 OK 47 65 - 71 - 4.6=52, 3.0/4041=21...(7) H LYS 94 - H THR 15 lone 5 98 - 5 - 430=1 H LYS 94 - H THR 42 lone 5 58 - 8 - 430=2, 6855/4.0=1, 6859/4.0=1 H ASN 52 - H THR 15 lone 4 100 - 4 - H LYS 35 - H THR 15 lone 3 87 - 4 - H ASN 24 - H THR 15 lone 2 65 - 3 - H ASN 52 - H THR 42 lone 2 62 - 3 - H ASN 14 - H THR 42 lone 1 34 - 4 - 3.6/4558=1 H LYS 35 - H THR 42 lone 1 48 - 3 - H ASN 24 - H THR 42 lone 1 34 - 2 - Peak 7169 from nnoeabs.peaks (1.35, 8.81, 118.72 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.69: HB VAL 68 + H ILE 16 OK 64 100 - 65 - 2.1/4572=20, 4.0/4637=14...(8) HG12 ILE 37 + H ILE 16 OK 12 99 - 12 - 1.8/24=3, 3.2/620=3...(5) HG12 ILE 93 - H ILE 16 lone 4 99 - 4 - 7057/5.0=1 Peak 7170 from nnoeabs.peaks (6.95, 7.63, 111.84 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.82: HZ PHE 83 + HE22 GLN 36 OK 66 100 - 67 - 4840/1.7=30, 2.2/7171=17...(10) QE PHE 88 + HE22 GLN 36 OK 31 100 - 31 - 2.2/7171=7, ~7172=5...(11) QE PHE 70 + HE22 GLN 36 OK 14 89 - 16 - 5260/3.5=3, 5258/4.6=3...(7) HZ PHE 88 + HE22 GLN 36 OK 11 60 - 18 - 5260/3.5=3, 5259/3.5=3...(7) HE22 GLN 48 - HE22 GLN 36 poor 8 63 - 13 - 5260/3.5=2, 5258/4.6=2...(6) Peak 7171 from nnoeabs.peaks (7.00, 7.63, 111.84 ppm; 4.54 A): 3 out of 9 assignments used, quality = 0.68: QE PHE 83 + HE22 GLN 36 OK 52 96 - 55 - ~4840=20, 2.2/7170=18...(8) HZ PHE 88 + HE22 GLN 36 OK 23 90 - 25 - 2.2/7170=9, 7172/1.7=7...(6) HE22 GLN 48 + HE22 GLN 36 OK 13 89 - 14 - 7172/1.7=5, 5259/3.5=2...(4) QE PHE 70 - HE22 GLN 36 poor 7 63 - 12 - 5259/3.5=3, 7172/1.7=2...(5) HD21 ASN 52 - HE22 GLN 36 lone 7 97 - 7 - 7172/1.7=2, 5259/3.5=1 HD21 ASN 24 - HE22 GLN 36 lone 5 100 - 5 - 7172/1.7=2 HE22 GLN 19 - HE22 GLN 36 lone 2 95 - 3 - HD21 ASN 13 - HE22 GLN 36 lone 2 76 - 2 - QE PHE 17 - HE22 GLN 36 lone 2 87 - 2 - Peak 7172 from nnoeabs.peaks (7.00, 6.78, 111.84 ppm; 4.81 A): 3 out of 9 assignments used, quality = 0.68: QE PHE 83 + HE21 GLN 36 OK 51 96 - 54 - 7171/1.7=20, 2.2/4840=17...(8) HZ PHE 88 + HE21 GLN 36 OK 23 90 - 25 - 7171/1.7=9, ~7170=7...(7) HE22 GLN 48 + HE21 GLN 36 OK 14 89 - 16 - 7171/1.7=5, 5259/3.5=3...(7) QE PHE 70 - HE21 GLN 36 poor 8 63 - 13 - 5259/3.5=3, 7171/1.7=3...(6) HD21 ASN 52 - HE21 GLN 36 lone 8 97 - 8 - 7171/1.7=3, 5259/3.5=2 HD21 ASN 24 - HE21 GLN 36 lone 5 100 - 5 - 7171/1.7=2 HE22 GLN 19 - HE21 GLN 36 lone 3 95 - 3 - HD21 ASN 13 - HE21 GLN 36 lone 2 76 - 3 - QE PHE 17 - HE21 GLN 36 lone 2 87 - 2 - Peak 7173 from nnoeabs.peaks (5.87, 7.63, 111.84 ppm; 5.00 A): 0 out of 1 assignment used, low quality = 0.29: QD TYR 33 - HE22 GLN 36 OK 29 73 - 40 - 3.7/5153=29, 4.5/563=9...(5) Peak 7174 from nnoeabs.peaks (2.84, 7.15, 115.91 ppm; 5.37 A): 3 out of 5 assignments used, quality = 0.52: HB2 TYR 54 + H GLU 65 OK 35 89 - 39 - 6017/3.7=20, ~6005=9...(5) HB3 TYR 33 + H GLU 65 OK 14 68 - 21 - 4428/3.6=6, 4.3/6013=5...(4) HB2 PHE 17 + H GLU 65 OK 14 76 - 19 - 6017/3.7=10, 4054/4.6=5 HB2 ASP 72 - H GLU 65 lone 5 76 - 7 - 6017/3.7=2, 6297/4.8=1 HB3 PHE 88 - H GLU 65 lone 3 63 - 5 - 1.8/897=2 Peak 7205 from nnoeabs.peaks (2.03, 8.47, 118.31 ppm; 5.24 A): 2 out of 14 assignments used, quality = 0.96: QE MET 50 + H THR 42 OK 82 100 - 82 - 5673/4.6=21, 5691/4.0=18...(16) HB3 MET 50 + H THR 42 OK 80 99 - 81 - 5697/4.6=19, 5665/4.6=18...(15) HG2 PRO 92 - H THR 42 OK 13 99 - 13 - 4374=3, 1.8/4375=2...(5) HB2 LYS 35 - H THR 42 OK 11 90 - 13 - 5457/4.6=3, 5465/4.6=2...(5) QE MET 50 - H THR 15 poor 8 62 - 13 - 3.3/5504=2, 5694/7049=1...(4) HB3 MET 50 - H THR 15 poor 6 61 - 11 - 2.9/5504=2, 4.0/5506=1 HB2 GLU 23 - H THR 42 poor 6 60 - 10 - 5665/4.6=2, 5697/4.6=2 HB3 GLU 23 - H THR 42 lone 5 68 - 7 - 5465/4.6=1, 5463/4.6=1 HG2 PRO 92 - H THR 15 lone 4 59 - 7 - 4374=2, 1.8/4375=1 HB3 GLN 36 - H THR 42 lone 4 85 - 4 - HB2 LYS 35 - H THR 15 lone 4 51 - 7 - ~4565=2 HB3 GLN 36 - H THR 15 lone 1 46 - 3 - HB3 GLU 23 - H THR 15 lone 1 35 - 3 - HB2 GLU 23 - H THR 15 lone 1 30 - 3 - Peak 7206 from nnoeabs.peaks (4.70, 8.46, 117.14 ppm; 3.17 A): 0 out of 15 assignments used, low quality = 0.21: HA GLU 87 - H ILE 93 OK 21 100 - 21 - 3.6/6795=10, 3.8/6696=3...(6) HA LEU 53 - H ILE 93 lone 8 100 - 8 - 7149=2, 4.0/5780=2...(4) HA SER 96 - H LEU 21 poor 6 50 - 12 - 6955/4.7=4, 6954/5.2=4 HA GLU 87 - H LEU 21 poor 6 51 - 12 - 3.6/6699=3, 3.8/6696=2...(6) HA SER 96 - H ILE 93 lone 4 100 - 4 - HA THR 26 - H ILE 93 lone 3 90 - 3 - HA LEU 53 - H LEU 21 lone 2 51 - 5 - 4.0/5780=2 HB THR 26 - H ILE 93 lone 2 87 - 2 - HA GLU 87 - H ASP 72 lone 1 44 - 3 - HA THR 26 - H LEU 21 lone 1 41 - 2 - HA LEU 53 - H ASP 72 lone 0 44 - 1 - HA SER 96 - H ASP 72 lone 0 43 - 1 - HB THR 26 - H LEU 21 lone 0 38 - 1 - HA THR 26 - H ASP 72 lone 0 35 - 0 - HB THR 26 - H ASP 72 lone 0 33 - 0 - Peak 7218 from nnoeabs.peaks (0.85, 8.37, 124.78 ppm; 4.14 A): 6 out of 10 assignments used, quality = 0.93: QD1 ILE 51 + H ASN 52 OK 59 71 - 83 - 4.2/229=28, 3.2/231=27...(13) QD2 LEU 62 + H ASN 52 OK 53 98 - 54 - 5966/4.6=12, 2.1/232=11...(10) QG2 VAL 30 + H ASN 52 OK 39 100 - 39 - 5051/4.1=10, 5052/5765=7...(12) QG1 VAL 30 + H ASN 52 OK 21 99 - 21 - 5110/5767=6, 5048/4.4=3...(6) QG1 VAL 18 + H ASN 52 OK 17 76 - 22 - 4.1/4745=5, 4688=5...(7) QG2 ILE 37 + H ASN 52 OK 11 100 - 10 - 4.0/5317=2 QG2 VAL 25 - H ASN 52 poor 9 60 - 16 - ~4887=4, 5112/5765=4...(4) QG2 ILE 16 - H ASN 52 poor 9 89 - 11 - 6133/5767=2, 4588/4.4=1...(4) QG2 ILE 80 - H ASN 52 lone 9 100 - 9 - 3.2/230=1 QG2 THR 42 - H ASN 52 lone 4 63 - 6 - 824/4.6=1, 5492/4.4=1 Peak 1213 from cnoeabs.peaks (4.36, 4.36, 58.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 11 + HA SER 11 OK 100 100 - 100 Peak 1214 from cnoeabs.peaks (3.85, 4.36, 58.37 ppm; 2.74 A): 1 out of 3 assignments used, quality = 0.83: * HB2 SER 11 + HA SER 11 OK 83 100 - 83 - 3.0=74, 1.8/1215=33, ~1215=5 HB THR 55 - HA SER 11 lone 1 90 - 1 - HD2 PRO 49 - HA SER 11 lone 0 100 - 0 - Peak 1215 from cnoeabs.peaks (3.79, 4.36, 58.37 ppm; 2.67 A): 1 out of 7 assignments used, quality = 0.79: * HB3 SER 11 + HA SER 11 OK 79 100 - 79 - 3.0=68, 1.8/1214=30, ~1214=4 HA2 GLY 22 - HA SER 11 lone 0 95 - 0 - HA LYS 77 - HA SER 11 lone 0 100 - 0 - HA ILE 40 - HA SER 11 lone 0 100 - 0 - HA SER 89 - HA SER 11 lone 0 96 - 0 - HD2 PRO 92 - HA SER 11 lone 0 100 - 0 - HA2 GLY 60 - HA SER 11 lone 0 78 - 0 - Peak 1216 from cnoeabs.peaks (4.36, 3.85, 63.27 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 11 + HB2 SER 11 OK 100 100 - 100 - 3.0=100 Peak 1217 from cnoeabs.peaks (3.85, 3.85, 63.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 11 + HB2 SER 11 OK 100 100 - 100 Peak 1218 from cnoeabs.peaks (3.79, 3.85, 63.27 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 11 + HB2 SER 11 OK 100 100 - 100 - 1.8=100 Peak 1219 from cnoeabs.peaks (4.36, 3.79, 63.27 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 11 + HB3 SER 11 OK 100 100 - 100 - 3.0=100 Peak 1220 from cnoeabs.peaks (3.85, 3.79, 63.27 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 11 + HB3 SER 11 OK 100 100 - 100 - 1.8=100 Peak 1221 from cnoeabs.peaks (3.79, 3.79, 63.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 11 + HB3 SER 11 OK 100 100 - 100 Peak 1222 from cnoeabs.peaks (8.23, 4.60, 53.74 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1223 from cnoeabs.peaks (4.60, 4.60, 53.74 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ASP 12 + HA ASP 12 OK 100 100 - 100 HA ASP 56 + HA ASP 56 OK 62 62 - 100 HA ASN 13 - HA ASN 13 OK 38 38 - 100 Peak 1224 from cnoeabs.peaks (2.67, 4.60, 53.74 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1225 from cnoeabs.peaks (2.62, 4.60, 53.74 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1226 from cnoeabs.peaks (8.23, 2.67, 41.01 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HB2 ASP 12 OK 100 100 - 100 - 4.0=100 Peak 1227 from cnoeabs.peaks (4.60, 2.67, 41.01 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + HB2 ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1228 from cnoeabs.peaks (2.67, 2.67, 41.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 12 + HB2 ASP 12 OK 100 100 - 100 Peak 1229 from cnoeabs.peaks (2.62, 2.67, 41.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 12 + HB2 ASP 12 OK 100 100 - 100 - 1.8=100 Peak 1230 from cnoeabs.peaks (8.23, 2.62, 41.01 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HB3 ASP 12 OK 100 100 - 100 - 4.0=100 Peak 1231 from cnoeabs.peaks (4.60, 2.62, 41.01 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + HB3 ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1232 from cnoeabs.peaks (2.67, 2.62, 41.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 12 + HB3 ASP 12 OK 100 100 - 100 - 1.8=100 Peak 1233 from cnoeabs.peaks (2.62, 2.62, 41.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 12 + HB3 ASP 12 OK 100 100 - 100 HB3 ASP 32 + HB3 ASP 32 OK 98 98 - 100 Peak 1235 from cnoeabs.peaks (4.62, 4.62, 53.24 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ASN 13 + HA ASN 13 OK 100 100 - 100 HA ASP 56 + HA ASP 56 OK 61 61 - 100 HA ASP 12 - HA ASP 12 OK 38 38 - 100 Peak 1236 from cnoeabs.peaks (2.53, 4.62, 53.24 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 - 100 - 3.0=100 Peak 1237 from cnoeabs.peaks (2.71, 4.62, 53.24 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 - 100 - 3.0=100 Peak 1240 from cnoeabs.peaks (8.09, 2.53, 38.30 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 4.0=100 Peak 1241 from cnoeabs.peaks (4.62, 2.53, 38.30 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.0=100 Peak 1242 from cnoeabs.peaks (2.53, 2.53, 38.30 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + HB2 ASN 13 OK 100 100 - 100 HB3 ASN 14 + HB3 ASN 14 OK 96 96 - 100 HB3 ASN 43 - HB3 ASN 43 OK 21 21 - 100 Peak 1243 from cnoeabs.peaks (2.71, 2.53, 38.30 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 1.8=100 Peak 1244 from cnoeabs.peaks (7.02, 2.53, 38.30 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 1245 from cnoeabs.peaks (7.27, 2.53, 38.30 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 1246 from cnoeabs.peaks (8.09, 2.71, 38.30 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 4.0=100 Peak 1247 from cnoeabs.peaks (4.62, 2.71, 38.30 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.0=100 Peak 1248 from cnoeabs.peaks (2.53, 2.71, 38.30 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 1.8=100 Peak 1249 from cnoeabs.peaks (2.71, 2.71, 38.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HB3 ASN 13 OK 100 100 - 100 HB3 ASN 24 + HB3 ASN 24 OK 96 96 - 100 Peak 1250 from cnoeabs.peaks (7.02, 2.71, 38.30 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.5=100 HD21 ASN 24 + HB3 ASN 24 OK 69 69 - 100 - 3.5=100 Peak 1251 from cnoeabs.peaks (7.27, 2.71, 38.30 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 1253 from cnoeabs.peaks (4.90, 4.90, 52.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 14 + HA ASN 14 OK 100 100 - 100 Peak 1254 from cnoeabs.peaks (3.49, 4.90, 52.97 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + HA ASN 14 OK 100 100 - 100 - 3.0=100 Peak 1255 from cnoeabs.peaks (2.52, 4.90, 52.97 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + HA ASN 14 OK 100 100 - 100 - 3.0=100 Peak 1258 from cnoeabs.peaks (8.39, 3.49, 38.34 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 14 + HB2 ASN 14 OK 100 100 - 100 - 4.0=100 Peak 1259 from cnoeabs.peaks (4.90, 3.49, 38.34 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 14 + HB2 ASN 14 OK 100 100 - 100 - 3.0=100 Peak 1260 from cnoeabs.peaks (3.49, 3.49, 38.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + HB2 ASN 14 OK 100 100 - 100 Peak 1261 from cnoeabs.peaks (2.52, 3.49, 38.34 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 14 + HB2 ASN 14 OK 100 100 - 100 - 1.8=100 Peak 1262 from cnoeabs.peaks (7.93, 3.49, 38.34 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 14 + HB2 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 1263 from cnoeabs.peaks (7.21, 3.49, 38.34 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 14 + HB2 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 1264 from cnoeabs.peaks (8.39, 2.52, 38.34 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 14 + HB3 ASN 14 OK 100 100 - 100 - 4.0=100 H ASN 14 + HB2 ASN 13 OK 98 98 - 100 - 4.6=100 Peak 1265 from cnoeabs.peaks (4.90, 2.52, 38.34 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 14 + HB3 ASN 14 OK 100 100 - 100 - 3.0=100 Peak 1266 from cnoeabs.peaks (3.49, 2.52, 38.34 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 14 + HB3 ASN 14 OK 100 100 - 100 - 1.8=100 Peak 1267 from cnoeabs.peaks (2.52, 2.52, 38.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 14 + HB3 ASN 14 OK 100 100 - 100 HB2 ASN 13 + HB2 ASN 13 OK 96 96 - 100 Peak 1268 from cnoeabs.peaks (7.93, 2.52, 38.34 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 14 + HB3 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 1269 from cnoeabs.peaks (7.21, 2.52, 38.34 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 14 + HB3 ASN 14 OK 100 100 - 100 - 3.5=100 Peak 1270 from cnoeabs.peaks (8.46, 5.54, 61.97 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H THR 15 + HA THR 15 OK 100 100 - 100 - 3.0=100 Peak 1271 from cnoeabs.peaks (5.54, 5.54, 61.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + HA THR 15 OK 100 100 - 100 Peak 1272 from cnoeabs.peaks (4.13, 5.54, 61.97 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 15 + HA THR 15 OK 100 100 - 100 - 3.0=100 Peak 1273 from cnoeabs.peaks (1.16, 5.54, 61.97 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 15 + HA THR 15 OK 100 100 - 100 - 3.2=100 Peak 1274 from cnoeabs.peaks (8.46, 4.13, 70.92 ppm; 3.35 A): 4 out of 11 assignments used, quality = 0.89: * H THR 15 + HB THR 15 OK 75 100 - 75 - 3.8=66, 616/2.1=13...(6) H ALA 98 + HB THR 15 OK 41 85 - 49 - 2.9/4568=13, ~7014=8...(10) H THR 67 + HB THR 15 OK 13 63 - 21 - ~4553=12, ~6096=4...(5) H LEU 21 + HB THR 15 OK 10 95 - 11 - 4797/3.0=3, 651/2.1=2...(5) H THR 42 - HB THR 15 lone 4 90 - 4 - 1094/4.4=1, 615=1 H ASP 72 - HB THR 15 lone 3 78 - 3 - ~4550=2 H ASP 71 - HB THR 15 lone 2 100 - 2 - 21/4.4=2 H ILE 93 - HB THR 15 lone 1 100 - 1 - H PHE 83 - HB THR 15 lone 1 76 - 2 - H GLY 60 - HB THR 15 lone 1 78 - 1 - H GLY 90 - HB THR 15 lone 1 81 - 1 - Peak 1275 from cnoeabs.peaks (5.54, 4.13, 70.92 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + HB THR 15 OK 100 100 - 100 - 3.0=100 Peak 1276 from cnoeabs.peaks (4.13, 4.13, 70.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 15 + HB THR 15 OK 100 100 - 100 Peak 1277 from cnoeabs.peaks (1.16, 4.13, 70.92 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 15 + HB THR 15 OK 100 100 - 100 - 2.1=100 Peak 1278 from cnoeabs.peaks (8.46, 1.16, 20.93 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H THR 15 + QG2 THR 15 OK 100 100 - 100 - 4.0=100 Peak 1279 from cnoeabs.peaks (5.54, 1.16, 20.93 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + QG2 THR 15 OK 100 100 - 100 - 3.2=100 Peak 1280 from cnoeabs.peaks (4.13, 1.16, 20.93 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 15 + QG2 THR 15 OK 100 100 - 100 - 2.1=100 Peak 1281 from cnoeabs.peaks (1.16, 1.16, 20.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 15 + QG2 THR 15 OK 100 100 - 100 Peak 1282 from cnoeabs.peaks (8.81, 5.18, 59.05 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 16 + HA ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1283 from cnoeabs.peaks (5.18, 5.18, 59.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + HA ILE 16 OK 100 100 - 100 Peak 1284 from cnoeabs.peaks (1.86, 5.18, 59.05 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 16 + HA ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1285 from cnoeabs.peaks (0.83, 5.18, 59.05 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 16 + HA ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1286 from cnoeabs.peaks (1.29, 5.18, 59.05 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.99: * HG12 ILE 16 + HA ILE 16 OK 98 100 - 98 - 4.1=89, 4.9/4047=20...(14) QB ALA 98 + HA ILE 16 OK 55 76 - 73 - 2.9/6996=26, 7001=25...(14) HG13 ILE 39 - HA ILE 16 lone 7 100 - 7 - 621/3.0=2, 4565/4.9=2 QG2 THR 26 - HA ILE 16 lone 6 73 - 8 - 4918/3.0=4, 4565/4.9=1 HG3 LYS 35 - HA ILE 16 lone 3 76 - 4 - 621/3.0=1, 4565/4.9=1 Peak 1287 from cnoeabs.peaks (1.22, 5.18, 59.05 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + HA ILE 16 OK 100 100 - 100 - 4.1=100 Peak 1288 from cnoeabs.peaks (0.26, 5.18, 59.05 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 16 + HA ILE 16 OK 100 100 - 100 - 4.2=100 Peak 1289 from cnoeabs.peaks (8.81, 1.86, 39.62 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 16 + HB ILE 16 OK 100 100 - 100 - 4.0=100 Peak 1290 from cnoeabs.peaks (5.18, 1.86, 39.62 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + HB ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1291 from cnoeabs.peaks (1.86, 1.86, 39.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 16 + HB ILE 16 OK 100 100 - 100 HB ILE 37 + HB ILE 37 OK 62 62 - 100 Peak 1292 from cnoeabs.peaks (0.83, 1.86, 39.62 ppm; 2.82 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 16 + HB ILE 16 OK 100 100 - 100 - 2.1=100 QG2 ILE 37 + HB ILE 37 OK 47 47 - 100 - 2.1=100 Peak 1293 from cnoeabs.peaks (1.29, 1.86, 39.62 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 16 + HB ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1294 from cnoeabs.peaks (1.22, 1.86, 39.62 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + HB ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1295 from cnoeabs.peaks (0.26, 1.86, 39.62 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 16 + HB ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1296 from cnoeabs.peaks (8.81, 0.83, 18.73 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.97: * H ILE 16 + QG2 ILE 16 OK 97 100 - 97 - 4.0=87, 622/3.2=26...(15) H GLU 28 - QG2 ILE 16 OK 28 95 - 30 - 1303/3.2=7, 89/2.1=6...(7) H ASN 43 - QG2 ILE 16 OK 16 99 - 16 - 1310/3.2=4, 1317/3.1=3...(4) H ILE 16 - QG2 ILE 37 OK 14 56 - 25 - 620=5, 7169/3.2=4...(8) H GLU 28 - QG2 ILE 37 lone 4 49 - 8 - 92/3.2=1, 89/2.1=1 H ASN 43 - QG2 ILE 37 lone 2 55 - 4 - Peak 1297 from cnoeabs.peaks (5.18, 0.83, 18.73 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + QG2 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1298 from cnoeabs.peaks (1.86, 0.83, 18.73 ppm; 2.84 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 16 + QG2 ILE 16 OK 100 100 - 100 - 2.1=100 HB ILE 37 + QG2 ILE 37 OK 56 56 - 100 - 2.1=100 Peak 1299 from cnoeabs.peaks (0.83, 0.83, 18.73 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 16 + QG2 ILE 16 OK 100 100 - 100 QG2 ILE 37 - QG2 ILE 37 OK 41 41 - 100 Peak 1300 from cnoeabs.peaks (1.29, 0.83, 18.73 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 16 + QG2 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1301 from cnoeabs.peaks (1.22, 0.83, 18.73 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + QG2 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1302 from cnoeabs.peaks (0.26, 0.83, 18.73 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.96: * QD1 ILE 16 + QG2 ILE 16 OK 96 100 - 96 - 3.1=93, 623/4.0=10...(15) QD1 LEU 21 - QG2 ILE 16 OK 31 71 - 44 - 2.1/4586=8, 4822=5...(16) QD1 ILE 16 - QG2 ILE 37 OK 13 56 - 24 - 1320=5, 7057/3.2=3...(4) QD1 LEU 21 - QG2 ILE 37 poor 4 33 - 13 - 2.1/4819=2, 4822=1, 6493/6490=1 Peak 1303 from cnoeabs.peaks (8.81, 1.29, 26.04 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 16 + HG12 ILE 16 OK 95 100 - 95 - 4.6=64, 622/1.8=38...(17) H GLU 28 + HG12 ILE 16 OK 38 95 - 41 - 4987=11, 1310/1.8=8...(11) H ASN 43 - HG12 ILE 16 OK 18 99 - 18 - 1310/1.8=5, 1317/2.1=4...(4) Peak 1304 from cnoeabs.peaks (5.18, 1.29, 26.04 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + HG12 ILE 16 OK 100 100 - 100 - 4.1=100 Peak 1305 from cnoeabs.peaks (1.86, 1.29, 26.04 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 16 + HG12 ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1306 from cnoeabs.peaks (0.83, 1.29, 26.04 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 16 + HG12 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1307 from cnoeabs.peaks (1.29, 1.29, 26.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 16 + HG12 ILE 16 OK 100 100 - 100 Peak 1308 from cnoeabs.peaks (1.22, 1.29, 26.04 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + HG12 ILE 16 OK 100 100 - 100 - 1.8=100 Peak 1309 from cnoeabs.peaks (0.26, 1.29, 26.04 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 16 + HG12 ILE 16 OK 100 100 - 100 - 2.1=100 Peak 1310 from cnoeabs.peaks (8.81, 1.22, 26.04 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.94: * H ILE 16 + HG13 ILE 16 OK 92 100 - 92 - 4.6=61, 623/2.1=28...(15) H GLU 28 + HG13 ILE 16 OK 29 95 - 30 - 1303/1.8=9, 1317/2.1=7...(9) H ASN 43 - HG13 ILE 16 OK 19 99 - 19 - 1303/1.8=5, 1317/2.1=4...(8) Peak 1311 from cnoeabs.peaks (5.18, 1.22, 26.04 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + HG13 ILE 16 OK 100 100 - 100 - 4.1=100 Peak 1312 from cnoeabs.peaks (1.86, 1.22, 26.04 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 16 + HG13 ILE 16 OK 100 100 - 100 - 3.0=100 Peak 1313 from cnoeabs.peaks (0.83, 1.22, 26.04 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 16 + HG13 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1314 from cnoeabs.peaks (1.29, 1.22, 26.04 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 16 + HG13 ILE 16 OK 100 100 - 100 - 1.8=100 Peak 1315 from cnoeabs.peaks (1.22, 1.22, 26.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + HG13 ILE 16 OK 100 100 - 100 Peak 1316 from cnoeabs.peaks (0.26, 1.22, 26.04 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 16 + HG13 ILE 16 OK 100 100 - 100 - 2.1=100 Peak 1317 from cnoeabs.peaks (8.81, 0.26, 13.48 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 16 + QD1 ILE 16 OK 94 100 - 94 - 5.0=57, 622/2.1=38...(15) H GLU 28 + QD1 ILE 16 OK 32 95 - 34 - 1303/2.1=10, 1310/2.1=8...(8) H ASN 43 - QD1 ILE 16 OK 19 99 - 19 - 1310/2.1=5, 1303/2.1=5...(5) Peak 1318 from cnoeabs.peaks (5.18, 0.26, 13.48 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 16 + QD1 ILE 16 OK 100 100 - 100 - 4.2=100 Peak 1319 from cnoeabs.peaks (1.86, 0.26, 13.48 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 16 + QD1 ILE 16 OK 100 100 - 100 - 3.2=100 Peak 1320 from cnoeabs.peaks (0.83, 0.26, 13.48 ppm; 2.88 A): 2 out of 8 assignments used, quality = 0.94: * QG2 ILE 16 + QD1 ILE 16 OK 91 100 - 91 - 3.1=82, 4.0/623=9...(15) QG2 ILE 80 + QD1 ILE 16 OK 35 93 - 37 - 3.0/6506=8, 3.2/6498=6...(12) QG2 ILE 37 - QD1 ILE 16 OK 21 85 - 24 - 1302=4, 3.2/7057=3...(5) QG1 VAL 30 - QD1 ILE 16 OK 20 97 - 21 - 5110/4596=3, 5109=2...(5) QG2 ILE 40 - QD1 ILE 16 OK 20 93 - 22 - 5451/4596=7, 2.1/4602=2...(7) QG2 VAL 30 - QD1 ILE 16 OK 15 89 - 18 - 5107=2, 2.1/5109=1...(5) QG2 VAL 25 - QD1 ILE 16 OK 13 96 - 14 - 3.9/4632=2, 5110/4596=1 QD2 LEU 62 - QD1 ILE 16 lone 8 99 - 8 - 2.1/4599=2 Peak 1321 from cnoeabs.peaks (1.29, 0.26, 13.48 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 16 + QD1 ILE 16 OK 100 100 - 100 - 2.1=100 Peak 1322 from cnoeabs.peaks (1.22, 0.26, 13.48 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 16 + QD1 ILE 16 OK 100 100 - 100 - 2.1=100 Peak 1323 from cnoeabs.peaks (0.26, 0.26, 13.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 16 + QD1 ILE 16 OK 100 100 - 100 Peak 1324 from cnoeabs.peaks (9.54, 5.41, 55.05 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + HA PHE 17 OK 100 100 - 100 - 2.9=100 Peak 1325 from cnoeabs.peaks (5.41, 5.41, 55.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 17 + HA PHE 17 OK 100 100 - 100 Peak 1326 from cnoeabs.peaks (2.82, 5.41, 55.05 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 17 + HA PHE 17 OK 100 100 - 100 - 3.0=100 Peak 1327 from cnoeabs.peaks (2.71, 5.41, 55.05 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 17 + HA PHE 17 OK 100 100 - 100 - 3.0=100 Peak 1330 from cnoeabs.peaks (7.02, 5.41, 55.05 ppm; 4.40 A): 3 out of 7 assignments used, quality = 0.95: * QE PHE 17 + HA PHE 17 OK 83 100 - 83 - 5.6=47, 2.2/1331=43...(7) HZ PHE 17 + HA PHE 17 OK 64 87 - 74 - 4538/3.7=32, 2.2/4649=28...(8) HD21 ASN 13 + HA PHE 17 OK 13 100 - 13 - 4517/7002=7, 38/3.6=3 HE22 GLN 19 - HA PHE 17 lone 10 99 - 10 - 3.5/4664=5, 38/3.6=2 HZ3 TRP 82 - HA PHE 17 lone 5 81 - 6 - 6.9/4659=3, 2.4/1331=1 HD22 ASN 91 - HA PHE 17 lone 2 90 - 3 - HD21 ASN 24 - HA PHE 17 lone 2 81 - 2 - Peak 1331 from cnoeabs.peaks (7.11, 5.41, 55.05 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.96: * QD PHE 17 + HA PHE 17 OK 96 100 - 96 - 3.7=87, 39/3.6=22...(15) HH2 TRP 82 - HA PHE 17 lone 3 60 - 4 - Peak 1332 from cnoeabs.peaks (9.54, 2.82, 41.62 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.98: * H PHE 17 + HB2 PHE 17 OK 98 100 - 98 - 4.0=96, 627/1.8=28...(10) Peak 1333 from cnoeabs.peaks (5.41, 2.82, 41.62 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 17 + HB2 PHE 17 OK 100 100 - 100 - 3.0=100 Peak 1334 from cnoeabs.peaks (2.82, 2.82, 41.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 17 + HB2 PHE 17 OK 100 100 - 100 Peak 1335 from cnoeabs.peaks (2.71, 2.82, 41.62 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 17 + HB2 PHE 17 OK 100 100 - 100 - 1.8=100 Peak 1338 from cnoeabs.peaks (7.02, 2.82, 41.62 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 17 + HB2 PHE 17 OK 100 100 - 100 - 4.4=100 Peak 1339 from cnoeabs.peaks (7.11, 2.82, 41.62 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 17 + HB2 PHE 17 OK 100 100 - 100 - 2.4=100 Peak 1340 from cnoeabs.peaks (9.54, 2.71, 41.62 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + HB3 PHE 17 OK 100 100 - 100 - 4.0=100 Peak 1341 from cnoeabs.peaks (5.41, 2.71, 41.62 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 17 + HB3 PHE 17 OK 100 100 - 100 - 3.0=100 Peak 1342 from cnoeabs.peaks (2.82, 2.71, 41.62 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 17 + HB3 PHE 17 OK 100 100 - 100 - 1.8=100 Peak 1343 from cnoeabs.peaks (2.71, 2.71, 41.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 17 + HB3 PHE 17 OK 100 100 - 100 Peak 1346 from cnoeabs.peaks (7.02, 2.71, 41.62 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 17 + HB3 PHE 17 OK 100 100 - 100 - 4.4=100 Peak 1347 from cnoeabs.peaks (7.11, 2.71, 41.62 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 17 + HB3 PHE 17 OK 100 100 - 100 - 2.4=100 Peak 1358 from cnoeabs.peaks (2.82, 7.02, 131.06 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.93: * HB2 PHE 17 + QE PHE 17 OK 93 93 - 100 - 4.4=100 Peak 1362 from cnoeabs.peaks (7.02, 7.02, 131.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QE PHE 17 + QE PHE 17 OK 93 93 - 100 Peak 1363 from cnoeabs.peaks (7.11, 7.02, 131.06 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.93: * QD PHE 17 + QE PHE 17 OK 93 93 - 100 - 2.2=100 Peak 1365 from cnoeabs.peaks (5.41, 7.11, 131.38 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 17 + QD PHE 17 OK 99 99 - 100 - 3.7=100 Peak 1366 from cnoeabs.peaks (2.82, 7.11, 131.38 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 17 + QD PHE 17 OK 99 99 - 100 - 2.4=100 Peak 1367 from cnoeabs.peaks (2.71, 7.11, 131.38 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: * HB3 PHE 17 + QD PHE 17 OK 99 99 - 100 - 2.4=100 Peak 1370 from cnoeabs.peaks (7.02, 7.11, 131.38 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.99: * QE PHE 17 + QD PHE 17 OK 99 99 - 100 - 2.2=100 Peak 1371 from cnoeabs.peaks (7.11, 7.11, 131.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 17 + QD PHE 17 OK 99 99 - 100 Peak 1373 from cnoeabs.peaks (4.96, 4.96, 59.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + HA VAL 18 OK 100 100 - 100 Peak 1374 from cnoeabs.peaks (1.64, 4.96, 59.55 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.0=100 Peak 1375 from cnoeabs.peaks (0.87, 4.96, 59.55 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.2=100 Peak 1376 from cnoeabs.peaks (0.67, 4.96, 59.55 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 18 + HA VAL 18 OK 100 100 - 100 - 3.2=100 Peak 1377 from cnoeabs.peaks (8.94, 1.64, 34.49 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.97: * H VAL 18 + HB VAL 18 OK 88 100 - 88 - 3.9=67, 636/2.1=36...(10) H SER 96 + HB VAL 18 OK 54 99 - 55 - 6944/2.1=21, 6936/4.3=10...(10) H ALA 66 + HB VAL 18 OK 49 90 - 54 - 6033/2.1=16, 6035=12...(11) H PHE 70 - HB VAL 18 poor 7 68 - 11 - 1387/2.1=1 H ASP 56 - HB VAL 18 lone 7 99 - 7 - 6033/2.1=2, 6035=1, 1382/2.1=1 Peak 1378 from cnoeabs.peaks (4.96, 1.64, 34.49 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + HB VAL 18 OK 100 100 - 100 - 3.0=100 Peak 1379 from cnoeabs.peaks (1.64, 1.64, 34.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 18 + HB VAL 18 OK 100 100 - 100 Peak 1380 from cnoeabs.peaks (0.87, 1.64, 34.49 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 18 + HB VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1381 from cnoeabs.peaks (0.67, 1.64, 34.49 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 18 + HB VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1382 from cnoeabs.peaks (8.94, 0.87, 22.07 ppm; 3.85 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 18 + QG1 VAL 18 OK 98 100 - 98 - 3.9=94, 636/2.1=42...(12) H SER 96 + QG1 VAL 18 OK 65 99 - 66 - 6944/2.1=27, 6936/4.1=13...(11) H ALA 66 + QG1 VAL 18 OK 58 90 - 65 - 6033/2.1=21, 3.6/4703=16...(14) H ASP 56 - QG1 VAL 18 lone 8 99 - 8 - 6033/2.1=3, 1377/2.1=1 H PHE 70 - QG1 VAL 18 lone 6 68 - 9 - 6.5/4697=2, 1387/2.1=2 Peak 1383 from cnoeabs.peaks (4.96, 0.87, 22.07 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 3.2=100 Peak 1384 from cnoeabs.peaks (1.64, 0.87, 22.07 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1385 from cnoeabs.peaks (0.87, 0.87, 22.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 18 + QG1 VAL 18 OK 100 100 - 100 Peak 1386 from cnoeabs.peaks (0.67, 0.87, 22.07 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 18 + QG1 VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1387 from cnoeabs.peaks (8.94, 0.67, 21.30 ppm; 3.49 A): 3 out of 5 assignments used, quality = 0.99: * H VAL 18 + QG2 VAL 18 OK 92 100 - 92 - 3.9=70, 634/2.1=23...(18) H SER 96 + QG2 VAL 18 OK 72 99 - 73 - 6944=24, 4.2/6907=20...(18) H ALA 66 + QG2 VAL 18 OK 50 90 - 56 - 6033=18, 6035/2.1=10...(16) H ASP 56 - QG2 VAL 18 OK 11 99 - 11 - 6033=2, 1377/2.1=1, 1382/2.1=1 H PHE 70 - QG2 VAL 18 OK 10 68 - 15 - 6234/4726=3, 4638/4573=3...(6) Peak 1388 from cnoeabs.peaks (4.96, 0.67, 21.30 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 18 + QG2 VAL 18 OK 100 100 - 100 - 3.2=100 Peak 1389 from cnoeabs.peaks (1.64, 0.67, 21.30 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 18 + QG2 VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1390 from cnoeabs.peaks (0.87, 0.67, 21.30 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 18 + QG2 VAL 18 OK 100 100 - 100 - 2.1=100 Peak 1391 from cnoeabs.peaks (0.67, 0.67, 21.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 18 + QG2 VAL 18 OK 100 100 - 100 Peak 1393 from cnoeabs.peaks (4.76, 4.76, 53.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HA GLN 19 OK 100 100 - 100 Peak 1394 from cnoeabs.peaks (2.11, 4.76, 53.70 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 19 + HA GLN 19 OK 100 100 - 100 - 2.9=100 Peak 1395 from cnoeabs.peaks (1.76, 4.76, 53.70 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HA GLN 19 OK 100 100 - 100 - 2.9=100 Peak 1396 from cnoeabs.peaks (1.97, 4.76, 53.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HA GLN 19 OK 100 100 - 100 - 4.1=100 Peak 1397 from cnoeabs.peaks (1.65, 4.76, 53.70 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HA GLN 19 OK 100 100 - 100 - 4.1=100 Peak 1400 from cnoeabs.peaks (8.72, 2.11, 33.99 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 4.0=100 Peak 1401 from cnoeabs.peaks (4.76, 2.11, 33.99 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 2.9=100 Peak 1402 from cnoeabs.peaks (2.11, 2.11, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 19 + HB2 GLN 19 OK 100 100 - 100 Peak 1403 from cnoeabs.peaks (1.76, 2.11, 33.99 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 1.8=100 Peak 1404 from cnoeabs.peaks (1.97, 2.11, 33.99 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1405 from cnoeabs.peaks (1.65, 2.11, 33.99 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1406 from cnoeabs.peaks (7.95, 2.11, 33.99 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 4.6=100 Peak 1407 from cnoeabs.peaks (7.01, 2.11, 33.99 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HB2 GLN 19 OK 100 100 - 100 - 4.6=100 Peak 1408 from cnoeabs.peaks (8.72, 1.76, 33.99 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 4.0=100 Peak 1409 from cnoeabs.peaks (4.76, 1.76, 33.99 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 2.9=100 Peak 1410 from cnoeabs.peaks (2.11, 1.76, 33.99 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 1.8=100 Peak 1411 from cnoeabs.peaks (1.76, 1.76, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HB3 GLN 19 OK 100 100 - 100 Peak 1412 from cnoeabs.peaks (1.97, 1.76, 33.99 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1413 from cnoeabs.peaks (1.65, 1.76, 33.99 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1414 from cnoeabs.peaks (7.95, 1.76, 33.99 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 4.6=100 Peak 1415 from cnoeabs.peaks (7.01, 1.76, 33.99 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HB3 GLN 19 OK 100 100 - 100 - 4.6=100 Peak 1416 from cnoeabs.peaks (8.72, 1.97, 35.05 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 19 + HG2 GLN 19 OK 99 100 - 99 - 5.2=99 H ALA 31 - HG2 GLN 19 OK 11 83 - 13 - 1424/1.8=3, 5084=2...(4) H ILE 40 - HG2 GLN 19 lone 6 95 - 6 - 1424/1.8=2 Peak 1417 from cnoeabs.peaks (4.76, 1.97, 35.05 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 4.1=100 Peak 1418 from cnoeabs.peaks (2.11, 1.97, 35.05 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1419 from cnoeabs.peaks (1.76, 1.97, 35.05 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1420 from cnoeabs.peaks (1.97, 1.97, 35.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HG2 GLN 19 OK 100 100 - 100 Peak 1421 from cnoeabs.peaks (1.65, 1.97, 35.05 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 1.8=100 Peak 1422 from cnoeabs.peaks (7.95, 1.97, 35.05 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 1423 from cnoeabs.peaks (7.01, 1.97, 35.05 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HG2 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 1424 from cnoeabs.peaks (8.72, 1.65, 35.05 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.90: * H GLN 19 + HG3 GLN 19 OK 90 100 - 90 - 5.2=64, 640/3.0=38...(6) H ALA 31 - HG3 GLN 19 lone 6 83 - 8 - 1416/1.8=3 H ILE 40 - HG3 GLN 19 lone 5 95 - 5 - 1416/1.8=2 Peak 1425 from cnoeabs.peaks (4.76, 1.65, 35.05 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 4.1=100 Peak 1426 from cnoeabs.peaks (2.11, 1.65, 35.05 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1427 from cnoeabs.peaks (1.76, 1.65, 35.05 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 3.0=100 Peak 1428 from cnoeabs.peaks (1.97, 1.65, 35.05 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 1.8=100 Peak 1429 from cnoeabs.peaks (1.65, 1.65, 35.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 19 + HG3 GLN 19 OK 100 100 - 100 Peak 1430 from cnoeabs.peaks (7.95, 1.65, 35.05 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 1431 from cnoeabs.peaks (7.01, 1.65, 35.05 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 19 + HG3 GLN 19 OK 100 100 - 100 - 3.5=100 Peak 1432 from cnoeabs.peaks (8.21, 3.74, 45.08 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 20 + HA2 GLY 20 OK 100 100 - 100 - 2.9=100 Peak 1433 from cnoeabs.peaks (3.74, 3.74, 45.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 20 + HA2 GLY 20 OK 100 100 - 100 Peak 1434 from cnoeabs.peaks (4.53, 3.74, 45.08 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 20 + HA2 GLY 20 OK 100 100 - 100 - 1.8=100 Peak 1435 from cnoeabs.peaks (8.21, 4.53, 45.08 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 20 + HA3 GLY 20 OK 100 100 - 100 - 2.9=100 Peak 1436 from cnoeabs.peaks (3.74, 4.53, 45.08 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 20 + HA3 GLY 20 OK 100 100 - 100 - 1.8=100 Peak 1437 from cnoeabs.peaks (4.53, 4.53, 45.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 20 + HA3 GLY 20 OK 100 100 - 100 Peak 1438 from cnoeabs.peaks (8.47, 3.69, 55.38 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 21 + HA LEU 21 OK 100 100 - 100 - 2.9=100 Peak 1439 from cnoeabs.peaks (3.69, 3.69, 55.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 21 + HA LEU 21 OK 100 100 - 100 Peak 1440 from cnoeabs.peaks (1.16, 3.69, 55.38 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 21 + HA LEU 21 OK 100 100 - 100 - 2.9=100 HB3 LEU 21 + HA LEU 21 OK 100 100 - 100 - 2.9=100 Peak 1441 from cnoeabs.peaks (1.15, 3.69, 55.38 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 21 + HA LEU 21 OK 100 100 - 100 - 2.9=100 HB2 LEU 21 + HA LEU 21 OK 100 100 - 100 - 2.9=100 Peak 1442 from cnoeabs.peaks (1.10, 3.69, 55.38 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.90: * HG LEU 21 + HA LEU 21 OK 87 100 - 87 - 4.3=47, 2.1/1443=28...(18) QG2 VAL 95 + HA LEU 21 OK 27 100 - 27 - 6914/4.0=6, 6909/4.0=6...(7) QG2 THR 46 - HA LEU 21 lone 2 65 - 3 - 4.0/5555=1 QG2 THR 99 - HA LEU 21 lone 2 78 - 2 - Peak 1443 from cnoeabs.peaks (-0.19, 3.69, 55.38 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.89: * QD2 LEU 21 + HA LEU 21 OK 86 100 - 86 - 4.0=46, 2.1/1442=20...(22) QD1 ILE 80 + HA LEU 21 OK 24 99 - 24 - 653/2.9=4, 6506/4.0=4...(7) Peak 1444 from cnoeabs.peaks (0.28, 3.69, 55.38 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 21 + HA LEU 21 OK 100 100 - 100 - 4.0=100 Peak 1445 from cnoeabs.peaks (8.47, 1.16, 42.22 ppm; 3.89 A): 2 out of 18 assignments used, quality = 1.00: * H LEU 21 + HB2 LEU 21 OK 98 100 - 98 - 4.0=93, 652/3.0=19...(14) H LEU 21 + HB3 LEU 21 OK 98 100 - 98 - 4.0=93, 652/3.0=19...(14) H ALA 98 - HB2 LEU 21 OK 39 99 - 39 - 7018/3.1=10, 7012=8...(10) H ALA 98 - HB3 LEU 21 OK 39 99 - 39 - 7018/3.1=10, 7012=8...(10) H ILE 93 - HB2 LEU 21 OK 30 96 - 32 - 1459/3.0=6, ~4795=6...(8) H ILE 93 - HB3 LEU 21 OK 30 95 - 32 - 1459/3.0=6, ~4795=6...(8) H THR 15 - HB2 LEU 21 OK 27 95 - 29 - 616=6, 616/1.8=5...(10) H THR 15 - HB3 LEU 21 OK 27 94 - 29 - 616=6, 616/1.8=5...(10) H PHE 83 - HB2 LEU 21 OK 18 97 - 19 - 6603/3.0=8, 1473/3.1=3...(4) H PHE 83 - HB3 LEU 21 OK 18 97 - 19 - 6603/3.0=8, 1473/3.1=3...(4) H THR 42 - HB2 LEU 21 lone 8 100 - 8 - 1473/3.1=1, 616=1, 1466/3.1=1 H THR 42 - HB3 LEU 21 lone 8 100 - 8 - 1473/3.1=1, 616=1, 1466/3.1=1 H ASP 71 - HB2 LEU 21 lone 5 87 - 6 - 4.6/6222=2 H ASP 71 - HB3 LEU 21 lone 5 87 - 6 - 4.6/6222=2 H ASP 72 - HB2 LEU 21 lone 4 98 - 4 - H ASP 72 - HB3 LEU 21 lone 4 98 - 4 - H TRP 82 - HB2 LEU 21 lone 4 71 - 5 - H TRP 82 - HB3 LEU 21 lone 4 71 - 5 - Peak 1446 from cnoeabs.peaks (3.69, 1.16, 42.22 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 2.9=100 HA LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 2.9=100 Peak 1447 from cnoeabs.peaks (1.16, 1.16, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 HB3 LEU 21 + HB3 LEU 21 OK 100 100 - 100 Peak 1448 from cnoeabs.peaks (1.15, 1.16, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 HB3 LEU 21 + HB3 LEU 21 OK 100 100 - 100 Reference assignment not found: HB3 LEU 21 - HB2 LEU 21 Peak 1449 from cnoeabs.peaks (1.10, 1.16, 42.22 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.0=100 HG LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.0=100 Peak 1450 from cnoeabs.peaks (-0.19, 1.16, 42.22 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 Peak 1451 from cnoeabs.peaks (0.28, 1.16, 42.22 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 QD1 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 Peak 1452 from cnoeabs.peaks (8.47, 1.15, 42.22 ppm; 3.88 A): 2 out of 18 assignments used, quality = 1.00: * H LEU 21 + HB3 LEU 21 OK 98 100 - 98 - 4.0=92, 652/3.0=18...(14) H LEU 21 + HB2 LEU 21 OK 98 100 - 98 - 4.0=92, 652/3.0=18...(14) H ALA 98 - HB3 LEU 21 OK 39 99 - 39 - 7018/3.1=10, 7012=8...(9) H ALA 98 - HB2 LEU 21 OK 39 99 - 39 - 7018/3.1=10, 7012=8...(10) H ILE 93 - HB3 LEU 21 OK 30 96 - 32 - 1459/3.0=6, ~4795=6...(8) H ILE 93 - HB2 LEU 21 OK 30 95 - 32 - 1459/3.0=6, ~4795=6...(8) H THR 15 - HB3 LEU 21 OK 27 95 - 29 - 616=6, 616/1.8=5...(9) H THR 15 - HB2 LEU 21 OK 27 94 - 29 - 616=6, 616/1.8=5...(10) H PHE 83 - HB2 LEU 21 OK 18 97 - 19 - 6603/3.0=8, 1473/3.1=3...(4) H PHE 83 - HB3 LEU 21 OK 18 97 - 19 - 6603/3.0=8, 1473/3.1=3...(4) H THR 42 - HB2 LEU 21 lone 8 100 - 8 - 1473/3.1=1, 616=1, 1466/3.1=1 H THR 42 - HB3 LEU 21 lone 8 100 - 8 - 1473/3.1=1, 616=1, 1466/3.1=1 H ASP 71 - HB2 LEU 21 lone 5 87 - 6 - 4.6/6222=2 H ASP 71 - HB3 LEU 21 lone 5 87 - 5 - 4.6/6222=2 H ASP 72 - HB2 LEU 21 lone 4 98 - 4 - H ASP 72 - HB3 LEU 21 lone 4 98 - 4 - H TRP 82 - HB2 LEU 21 lone 3 71 - 5 - H TRP 82 - HB3 LEU 21 lone 3 71 - 5 - Peak 1453 from cnoeabs.peaks (3.69, 1.15, 42.22 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 2.9=100 HA LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 2.9=100 Peak 1454 from cnoeabs.peaks (1.16, 1.15, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 21 + HB3 LEU 21 OK 100 100 - 100 HB2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 Reference assignment not found: HB2 LEU 21 - HB3 LEU 21 Peak 1455 from cnoeabs.peaks (1.15, 1.15, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 21 + HB3 LEU 21 OK 100 100 - 100 HB2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 Peak 1456 from cnoeabs.peaks (1.10, 1.15, 42.22 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.0=100 HG LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.0=100 Peak 1457 from cnoeabs.peaks (-0.19, 1.15, 42.22 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 QD2 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 Peak 1458 from cnoeabs.peaks (0.28, 1.15, 42.22 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 21 + HB3 LEU 21 OK 100 100 - 100 - 3.1=100 QD1 LEU 21 + HB2 LEU 21 OK 100 100 - 100 - 3.1=100 Peak 1459 from cnoeabs.peaks (8.47, 1.10, 26.05 ppm; 3.78 A): 3 out of 9 assignments used, quality = 0.97: * H LEU 21 + HG LEU 21 OK 89 100 - 89 - 5.2=38, 2.9/1442=24...(14) H ILE 93 + HG LEU 21 OK 54 96 - 56 - 4.0/6846=11, 4.0/6845=10...(14) H ALA 98 + HG LEU 21 OK 38 99 - 38 - 7018/2.1=11, 4.4/6962=7...(7) H PHE 83 - HG LEU 21 OK 37 97 - 38 - 6603=11, 4.0/6605=5...(11) H THR 15 - HG LEU 21 OK 19 95 - 20 - ~4791=5, 1473/2.1=4...(5) H TRP 82 - HG LEU 21 poor 8 71 - 12 - 4.6/6603=5, 4.6/6632=1 H THR 42 - HG LEU 21 lone 8 100 - 8 - 1473/2.1=1, 1466/2.1=1 H ASP 72 - HG LEU 21 lone 5 98 - 5 - H ASP 71 - HG LEU 21 lone 5 87 - 5 - Peak 1460 from cnoeabs.peaks (3.69, 1.10, 26.05 ppm; 4.27 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 21 + HG LEU 21 OK 100 100 - 100 - 4.3=100 HB2 SER 69 - HG LEU 21 OK 23 97 - 24 - 1474/2.1=7, 1467/2.1=5...(6) HD2 PRO 74 - HG LEU 21 OK 11 100 - 11 - 1467/2.1=3, 1474/2.1=3, ~4810=1 HD3 PRO 49 - HG LEU 21 poor 10 81 - 12 - 1467/2.1=3, 1474/2.1=3...(4) HA2 GLY 47 - HG LEU 21 lone 7 92 - 7 - 1474/2.1=2, 1467/2.1=2 Peak 1461 from cnoeabs.peaks (1.16, 1.10, 26.05 ppm; 3.18 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 HB3 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 Peak 1462 from cnoeabs.peaks (1.15, 1.10, 26.05 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 HB2 LEU 21 + HG LEU 21 OK 100 100 - 100 - 3.0=100 Peak 1463 from cnoeabs.peaks (1.10, 1.10, 26.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 21 + HG LEU 21 OK 100 100 - 100 Peak 1464 from cnoeabs.peaks (-0.19, 1.10, 26.05 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 21 + HG LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1465 from cnoeabs.peaks (0.28, 1.10, 26.05 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 21 + HG LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1466 from cnoeabs.peaks (8.47, -0.19, 21.31 ppm; 3.98 A): 3 out of 9 assignments used, quality = 0.99: * H LEU 21 + QD2 LEU 21 OK 95 100 - 95 - 4.7=60, 2.9/1443=30...(16) H ILE 93 + QD2 LEU 21 OK 64 96 - 67 - 4.0/6848=20, 4.0/6843=13...(15) H ALA 98 + QD2 LEU 21 OK 57 99 - 57 - 7018=14, 4.4/4803=8...(13) H PHE 83 - QD2 LEU 21 OK 35 97 - 36 - 6603/2.1=10, 1473/2.1=4...(15) H THR 15 - QD2 LEU 21 OK 25 95 - 26 - ~4791=6, 1473/2.1=4...(8) H THR 42 - QD2 LEU 21 OK 12 100 - 12 - 1473/2.1=2, 1459/2.1=1 H TRP 82 - QD2 LEU 21 poor 9 71 - 12 - 4.6/371=4, 1459/2.1=1 H ASP 71 - QD2 LEU 21 lone 7 87 - 8 - H ASP 72 - QD2 LEU 21 lone 7 98 - 7 - Peak 1467 from cnoeabs.peaks (3.69, -0.19, 21.31 ppm; 3.10 A): 2 out of 5 assignments used, quality = 0.89: * HA LEU 21 + QD2 LEU 21 OK 87 100 - 87 - 4.0=48, 1442/2.1=21...(22) HB2 SER 69 + QD2 LEU 21 OK 13 97 - 14 - 1474/2.1=4, 1460/2.1=3...(5) HD2 PRO 74 - QD2 LEU 21 lone 7 100 - 7 - 1474/2.1=2, 1460/2.1=1 HD3 PRO 49 - QD2 LEU 21 lone 7 81 - 9 - 1474/2.1=2, 1460/2.1=1 HA2 GLY 47 - QD2 LEU 21 lone 4 92 - 4 - Peak 1468 from cnoeabs.peaks (1.16, -0.19, 21.31 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 3.1=100 HB3 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 3.1=100 Peak 1469 from cnoeabs.peaks (1.15, -0.19, 21.31 ppm; 3.02 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 21 + QD2 LEU 21 OK 96 100 - 96 - 3.1=91, 2.9/1443=19...(14) HB2 LEU 21 + QD2 LEU 21 OK 96 100 - 96 - 3.1=91, 2.9/1443=19...(14) HG13 ILE 27 - QD2 LEU 21 OK 14 99 - 14 - 1476/2.1=3, 4976/5824=3...(5) QG2 THR 15 - QD2 LEU 21 lone 10 100 - 10 - ~4791=3, 1476/2.1=3, 4.0/1466=1 HG13 ILE 37 - QD2 LEU 21 lone 7 73 - 9 - 3.2/4819=1, 1475/2.1=1 QG2 THR 46 - QD2 LEU 21 lone 1 68 - 1 - Peak 1470 from cnoeabs.peaks (1.10, -0.19, 21.31 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1471 from cnoeabs.peaks (-0.19, -0.19, 21.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 21 + QD2 LEU 21 OK 100 100 - 100 Peak 1472 from cnoeabs.peaks (0.28, -0.19, 21.31 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 21 + QD2 LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1473 from cnoeabs.peaks (8.47, 0.28, 26.05 ppm; 3.59 A): 2 out of 9 assignments used, quality = 0.94: * H LEU 21 + QD1 LEU 21 OK 90 100 - 90 - 4.7=44, 652/2.1=20...(18) H ILE 93 + QD1 LEU 21 OK 44 96 - 46 - 4.0/6847=10, 654=7...(12) H ALA 98 - QD1 LEU 21 OK 31 99 - 31 - 7018/2.1=10, 1459/2.1=5...(7) H PHE 83 - QD1 LEU 21 OK 27 97 - 27 - 6603/2.1=8, 1466/2.1=3...(8) H THR 15 - QD1 LEU 21 OK 24 95 - 25 - 3.0/4791=8, 616/3.1=3...(7) H THR 42 - QD1 LEU 21 lone 9 100 - 9 - 1466/2.1=1 H ASP 71 - QD1 LEU 21 lone 6 87 - 7 - H ASP 72 - QD1 LEU 21 lone 5 98 - 5 - H TRP 82 - QD1 LEU 21 lone 5 71 - 7 - 1459/2.1=1 Peak 1474 from cnoeabs.peaks (3.69, 0.28, 26.05 ppm; 3.85 A): 1 out of 5 assignments used, quality = 0.99: * HA LEU 21 + QD1 LEU 21 OK 99 100 - 99 - 4.0=91, 1443/2.1=34...(22) HB2 SER 69 - QD1 LEU 21 OK 26 97 - 27 - 4.0/317=6, 1467/2.1=5...(8) HD2 PRO 74 - QD1 LEU 21 OK 10 100 - 10 - 1467/2.1=3, 1460/2.1=2 HD3 PRO 49 - QD1 LEU 21 OK 10 81 - 12 - 1467/2.1=3, 2.3/4810=2...(4) HA2 GLY 47 - QD1 LEU 21 lone 6 92 - 7 - 1467/2.1=1, 1460/2.1=1 Peak 1475 from cnoeabs.peaks (1.16, 0.28, 26.05 ppm; 2.82 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LEU 21 + QD1 LEU 21 OK 88 100 - 88 - 3.1=74, 1469/2.1=12...(14) HB3 LEU 21 + QD1 LEU 21 OK 88 100 - 88 - 3.1=74, 1469/2.1=12...(14) HG13 ILE 27 - QD1 LEU 21 OK 19 100 - 19 - 2.1/4821=5, 4976/4824=4...(5) QG2 THR 15 - QD1 LEU 21 OK 17 100 - 17 - 3.2/4791=4, 4.1/623=2...(7) HG13 ILE 37 - QD1 LEU 21 lone 7 78 - 9 - QG2 THR 46 - QD1 LEU 21 lone 0 63 - 1 - Peak 1476 from cnoeabs.peaks (1.15, 0.28, 26.05 ppm; 2.74 A): 2 out of 6 assignments used, quality = 0.98: * HB3 LEU 21 + QD1 LEU 21 OK 84 100 - 84 - 3.1=68, 1469/2.1=11...(14) HB2 LEU 21 + QD1 LEU 21 OK 84 100 - 84 - 3.1=68, 1469/2.1=11...(13) HG13 ILE 27 - QD1 LEU 21 OK 17 99 - 17 - 2.1/4821=4, 4976/4824=4...(5) QG2 THR 15 - QD1 LEU 21 OK 16 100 - 16 - 3.2/4791=4, 4.1/623=2...(7) HG13 ILE 37 - QD1 LEU 21 lone 6 73 - 8 - QG2 THR 46 - QD1 LEU 21 lone 0 68 - 1 - Peak 1477 from cnoeabs.peaks (1.10, 0.28, 26.05 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1478 from cnoeabs.peaks (-0.19, 0.28, 26.05 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 21 + QD1 LEU 21 OK 100 100 - 100 - 2.1=100 Peak 1479 from cnoeabs.peaks (0.28, 0.28, 26.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 21 + QD1 LEU 21 OK 100 100 - 100 Peak 1480 from cnoeabs.peaks (8.00, 3.77, 43.68 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 22 + HA2 GLY 22 OK 100 100 - 100 - 3.0=100 Peak 1481 from cnoeabs.peaks (3.77, 3.77, 43.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 22 + HA2 GLY 22 OK 100 100 - 100 Peak 1482 from cnoeabs.peaks (4.11, 3.77, 43.68 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 22 + HA2 GLY 22 OK 100 100 - 100 - 1.8=100 Peak 1483 from cnoeabs.peaks (8.00, 4.11, 43.68 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 22 + HA3 GLY 22 OK 100 100 - 100 - 3.0=100 Peak 1484 from cnoeabs.peaks (3.77, 4.11, 43.68 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 22 + HA3 GLY 22 OK 100 100 - 100 - 1.8=100 Peak 1485 from cnoeabs.peaks (4.11, 4.11, 43.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 22 + HA3 GLY 22 OK 100 100 - 100 Peak 1486 from cnoeabs.peaks (8.11, 4.11, 56.91 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 23 + HA GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1487 from cnoeabs.peaks (4.11, 4.11, 56.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 23 + HA GLU 23 OK 100 100 - 100 HA GLN 36 + HA GLN 36 OK 47 47 - 100 Peak 1488 from cnoeabs.peaks (2.00, 4.11, 56.91 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 23 + HA GLU 23 OK 100 100 - 100 - 3.0=100 HB3 GLN 36 + HA GLN 36 OK 51 51 - 100 - 3.0=100 Peak 1489 from cnoeabs.peaks (2.06, 4.11, 56.91 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 23 + HA GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1490 from cnoeabs.peaks (2.34, 4.11, 56.91 ppm; 3.72 A): 1 out of 8 assignments used, quality = 0.99: * HG2 GLU 23 + HA GLU 23 OK 99 100 - 99 - 3.8=91, 1507/3.0=31...(14) HG3 GLU 58 - HA GLU 23 OK 21 78 - 27 - 1.8/1491=7, 662/3.0=5...(8) HG3 GLU 58 - HA GLN 36 lone 4 37 - 10 - 739/2.9=2, 1.8/1491=1...(4) HG2 GLN 48 - HA GLN 36 lone 3 53 - 5 - ~738=1 HG2 GLU 23 - HA GLN 36 lone 2 55 - 4 - 1505=1 HG2 GLN 48 - HA GLU 23 lone 2 99 - 2 - HG2 PRO 73 - HA GLU 23 lone 1 81 - 1 - HG2 PRO 73 - HA GLN 36 lone 1 38 - 2 - Peak 1491 from cnoeabs.peaks (2.25, 4.11, 56.91 ppm; 3.83 A): 1 out of 8 assignments used, quality = 0.99: * HG3 GLU 23 + HA GLU 23 OK 99 100 - 99 - 3.8=99 HG2 GLU 58 - HA GLU 23 OK 26 92 - 29 - 663/3.0=7, 1.8/1490=6...(8) HG2 GLU 58 - HA GLN 36 poor 5 46 - 11 - ~739=2, 1511=2...(6) HG2 GLU 28 - HA GLU 23 lone 4 97 - 4 - 663/3.0=1 HG2 MET 50 - HA GLU 23 lone 3 78 - 4 - HG3 GLU 23 - HA GLN 36 lone 2 55 - 4 - HG2 MET 50 - HA GLN 36 lone 1 37 - 2 - HG2 GLU 28 - HA GLN 36 lone 0 50 - 1 - Peak 1492 from cnoeabs.peaks (8.11, 2.00, 30.22 ppm; 3.67 A): 1 out of 10 assignments used, quality = 0.96: * H GLU 23 + HB2 GLU 23 OK 96 100 - 96 - 4.0=76, 661/1.8=38...(14) H ALA 79 - HB2 GLU 23 OK 15 99 - 15 - 1498/1.8=4, 1504/3.0=3...(5) H ILE 39 - HB2 GLU 23 OK 13 100 - 13 - 1498/1.8=4, 1504/3.0=3...(5) H ASN 13 - HB2 GLU 23 lone 4 78 - 5 - 1498/1.8=1, 1504/3.0=1 H VAL 68 - HB2 GLU 23 lone 3 60 - 4 - H GLU 23 - HB3 MET 50 lone 2 61 - 4 - H ILE 39 - HB3 MET 50 lone 2 61 - 4 - 5351/2.9=3 H VAL 68 - HB3 MET 50 lone 2 29 - 5 - 4.6/6180=4 H ALA 79 - HB3 MET 50 lone 1 59 - 2 - H ASN 13 - HB3 MET 50 lone 1 41 - 2 - Peak 1493 from cnoeabs.peaks (4.11, 2.00, 30.22 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1494 from cnoeabs.peaks (2.00, 2.00, 30.22 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 23 + HB2 GLU 23 OK 100 100 - 100 HB3 MET 50 - HB3 MET 50 OK 39 39 - 100 Peak 1495 from cnoeabs.peaks (2.06, 2.00, 30.22 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 1.8=100 Peak 1496 from cnoeabs.peaks (2.34, 2.00, 30.22 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1497 from cnoeabs.peaks (2.25, 2.00, 30.22 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 23 + HB2 GLU 23 OK 100 100 - 100 - 3.0=100 HG2 MET 50 - HB3 MET 50 OK 41 41 - 100 - 2.9=100 Peak 1498 from cnoeabs.peaks (8.11, 2.06, 30.22 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.95: * H GLU 23 + HB3 GLU 23 OK 95 100 - 95 - 4.0=75, 660/1.8=29...(12) H ALA 79 - HB3 GLU 23 OK 14 99 - 14 - 1492/1.8=4, 1504/3.0=3...(4) H ILE 39 - HB3 GLU 23 OK 13 100 - 13 - 1492/1.8=4, 1504/3.0=3...(5) H ASN 13 - HB3 GLU 23 lone 4 78 - 5 - 1504/3.0=1, 1492/1.8=1 H VAL 68 - HB3 GLU 23 lone 2 60 - 4 - Peak 1499 from cnoeabs.peaks (4.11, 2.06, 30.22 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1500 from cnoeabs.peaks (2.00, 2.06, 30.22 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 1.8=100 Peak 1501 from cnoeabs.peaks (2.06, 2.06, 30.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 23 + HB3 GLU 23 OK 100 100 - 100 Peak 1502 from cnoeabs.peaks (2.34, 2.06, 30.22 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1503 from cnoeabs.peaks (2.25, 2.06, 30.22 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 23 + HB3 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1504 from cnoeabs.peaks (8.11, 2.34, 35.84 ppm; 3.80 A): 4 out of 10 assignments used, quality = 0.94: * H GLU 23 + HG2 GLU 23 OK 90 100 - 90 - 5.1=41, 663/1.8=30...(11) H ALA 79 + HG2 GLU 23 OK 15 99 - 16 - 1510/1.8=4, 1498/3.0=3...(5) H ILE 39 + HG2 GLU 23 OK 14 100 - 14 - 1510/1.8=3, 1498/3.0=3...(5) H GLU 23 + HG3 GLU 58 OK 14 45 - 30 - 663/1.8=9, 662=9...(8) H ASN 13 - HG2 GLU 23 lone 6 78 - 8 - 4.6/4081=2, 1510/1.8=1 H VAL 68 - HG2 GLU 23 lone 2 60 - 4 - H ALA 79 - HG3 GLU 58 lone 1 44 - 2 - H ASN 13 - HG3 GLU 58 lone 1 30 - 3 - 4.6/4502=1 H ILE 39 - HG3 GLU 58 lone 1 45 - 1 - H VAL 68 - HG3 GLU 58 lone 0 21 - 2 - Peak 1505 from cnoeabs.peaks (4.11, 2.34, 35.84 ppm; 3.66 A): 2 out of 16 assignments used, quality = 0.99: * HA GLU 23 + HG2 GLU 23 OK 98 100 - 98 - 3.8=86, 3.0/1507=30...(14) HA3 GLY 22 + HG2 GLU 23 OK 58 99 - 58 - 3.6/662=20, 1.8/4857=11...(10) HA GLU 23 - HG3 GLU 58 OK 13 45 - 29 - 1490=7, 1491/1.8=6...(9) HA ILE 39 - HG2 GLU 23 lone 7 68 - 10 - 3.0/1504=3, ~1510=2...(6) HA3 GLY 22 - HG3 GLU 58 poor 6 44 - 13 - 3.6/662=4, ~4828=3...(5) HA GLN 36 - HG3 GLU 58 poor 4 38 - 11 - 1879=2, 1876/3.0=2...(4) HA GLN 36 - HG2 GLU 23 lone 4 93 - 4 - HB THR 67 - HG2 GLU 23 lone 2 95 - 2 - HB THR 15 - HG2 GLU 23 lone 1 90 - 1 - HB2 SER 96 - HG2 GLU 23 lone 1 99 - 1 - HA THR 99 - HG2 GLU 23 lone 1 73 - 1 - HB THR 67 - HG3 GLU 58 lone 1 39 - 1 - HB2 SER 96 - HG3 GLU 58 lone 0 44 - 1 - HA ILE 39 - HG3 GLU 58 lone 0 25 - 1 - HB THR 15 - HG3 GLU 58 lone 0 36 - 1 - HA THR 99 - HG3 GLU 58 lone 0 27 - 1 - Peak 1506 from cnoeabs.peaks (2.00, 2.34, 35.84 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 23 + HG2 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1507 from cnoeabs.peaks (2.06, 2.34, 35.84 ppm; 2.95 A): 1 out of 10 assignments used, quality = 0.97: * HB3 GLU 23 + HG2 GLU 23 OK 97 100 - 97 - 3.0=94, 1513/1.8=28...(9) HB3 GLU 23 - HG3 GLU 58 poor 8 45 - 17 - 1513/1.8=3, 3.0/1490=3...(7) HB2 GLU 28 - HG2 GLU 23 lone 2 89 - 2 - HB2 LYS 35 - HG2 GLU 23 lone 2 97 - 2 - HB2 LYS 86 - HG2 GLU 23 lone 1 98 - 1 - QE MET 50 - HG2 GLU 23 lone 1 63 - 1 - HB2 LYS 35 - HG3 GLU 58 lone 1 42 - 1 - HB2 LYS 86 - HG3 GLU 58 lone 0 42 - 1 - HB2 GLU 28 - HG3 GLU 58 lone 0 35 - 1 - QE MET 50 - HG3 GLU 58 lone 0 23 - 0 - Peak 1508 from cnoeabs.peaks (2.34, 2.34, 35.84 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 23 + HG2 GLU 23 OK 100 100 - 100 HG3 GLU 58 - HG3 GLU 58 OK 30 30 - 100 Peak 1509 from cnoeabs.peaks (2.25, 2.34, 35.84 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 23 + HG2 GLU 23 OK 100 100 - 100 - 1.8=100 HG2 GLU 58 - HG3 GLU 58 OK 37 37 - 100 - 1.8=100 Peak 1510 from cnoeabs.peaks (8.11, 2.25, 35.84 ppm; 3.79 A): 4 out of 10 assignments used, quality = 0.94: * H GLU 23 + HG3 GLU 23 OK 90 100 - 90 - 5.1=40, 662/1.8=33...(11) H GLU 23 + HG2 GLU 58 OK 21 62 - 34 - 663=10, 662/1.8=7...(10) H ALA 79 + HG3 GLU 23 OK 16 99 - 16 - 1504/1.8=4, 1498/3.0=3...(5) H ILE 39 + HG3 GLU 23 OK 14 100 - 13 - 1504/1.8=4, 1498/3.0=3...(4) H ASN 13 - HG3 GLU 23 lone 5 78 - 7 - 4.6/4082=2, 1504/1.8=2 H VAL 68 - HG3 GLU 23 lone 2 60 - 4 - H ALA 79 - HG2 GLU 58 lone 1 60 - 2 - H ILE 39 - HG2 GLU 58 lone 1 62 - 2 - H VAL 68 - HG2 GLU 58 lone 1 30 - 3 - H ASN 13 - HG2 GLU 58 lone 1 41 - 1 - Peak 1511 from cnoeabs.peaks (4.11, 2.25, 35.84 ppm; 3.71 A): 2 out of 16 assignments used, quality = 0.99: * HA GLU 23 + HG3 GLU 23 OK 99 100 - 99 - 3.8=90, 3.0/1513=29...(14) HA3 GLY 22 + HG3 GLU 23 OK 58 99 - 59 - 3.6/663=19, 1505/1.8=11...(10) HA GLU 23 - HG2 GLU 58 OK 19 62 - 31 - 1491=8, 3.0/663=6...(9) HA3 GLY 22 - HG2 GLU 58 poor 8 60 - 14 - 3.6/663=5, 1.8/4828=3...(5) HA GLN 36 - HG2 GLU 58 poor 7 53 - 13 - 1879/1.8=3, ~739=2...(6) HA ILE 39 - HG3 GLU 23 lone 7 68 - 10 - 3.0/1510=3, ~1504=2...(6) HA GLN 36 - HG3 GLU 23 lone 4 93 - 4 - HB THR 67 - HG3 GLU 23 lone 2 95 - 2 - HB THR 15 - HG3 GLU 23 lone 1 90 - 1 - HB THR 67 - HG2 GLU 58 lone 1 54 - 2 - HB2 SER 96 - HG3 GLU 23 lone 1 99 - 1 - HA THR 99 - HG3 GLU 23 lone 1 73 - 1 - HA ILE 39 - HG2 GLU 58 lone 0 35 - 1 - HB2 SER 96 - HG2 GLU 58 lone 0 60 - 1 - HB THR 15 - HG2 GLU 58 lone 0 50 - 1 - HA THR 99 - HG2 GLU 58 lone 0 38 - 1 - Peak 1512 from cnoeabs.peaks (2.00, 2.25, 35.84 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 23 + HG3 GLU 23 OK 100 100 - 100 - 3.0=100 Peak 1513 from cnoeabs.peaks (2.06, 2.25, 35.84 ppm; 2.97 A): 1 out of 10 assignments used, quality = 0.98: * HB3 GLU 23 + HG3 GLU 23 OK 98 100 - 98 - 3.0=96, 1507/1.8=30...(10) HB3 GLU 23 - HG2 GLU 58 OK 11 62 - 18 - 3.0/1491=3, 4.0/663=3...(7) HB2 GLU 28 - HG3 GLU 23 lone 3 89 - 3 - HB2 LYS 35 - HG3 GLU 23 lone 2 97 - 2 - QE MET 50 - HG3 GLU 23 lone 1 63 - 1 - HB2 LYS 86 - HG3 GLU 23 lone 1 98 - 1 - HB2 LYS 35 - HG2 GLU 58 lone 1 57 - 1 - HB2 LYS 86 - HG2 GLU 58 lone 0 58 - 1 - HB2 GLU 28 - HG2 GLU 58 lone 0 49 - 1 - QE MET 50 - HG2 GLU 58 lone 0 32 - 0 - Peak 1514 from cnoeabs.peaks (2.34, 2.25, 35.84 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 23 + HG3 GLU 23 OK 100 100 - 100 - 1.8=100 HG3 GLU 58 - HG2 GLU 58 OK 41 41 - 100 - 1.8=100 Peak 1515 from cnoeabs.peaks (2.25, 2.25, 35.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 23 + HG3 GLU 23 OK 100 100 - 100 HG2 GLU 58 + HG2 GLU 58 OK 52 52 - 100 Peak 1516 from cnoeabs.peaks (8.39, 4.95, 52.06 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + HA ASN 24 OK 100 100 - 100 - 2.9=100 Peak 1517 from cnoeabs.peaks (4.95, 4.95, 52.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HA ASN 24 OK 100 100 - 100 Peak 1518 from cnoeabs.peaks (2.91, 4.95, 52.06 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 24 + HA ASN 24 OK 100 100 - 100 - 3.0=100 Peak 1519 from cnoeabs.peaks (2.72, 4.95, 52.06 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 24 + HA ASN 24 OK 100 100 - 100 - 3.0=100 Peak 1521 from cnoeabs.peaks (7.63, 4.95, 52.06 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.91: * HD22 ASN 24 + HA ASN 24 OK 90 100 - 90 - 4.4=84, ~666=12, ~667=12...(5) H TYR 54 + HA ASN 24 OK 17 96 - 17 - 844/3.6=4, 4.4/5795=3...(6) HE22 GLN 36 - HA ASN 24 lone 3 100 - 3 - HD21 ASN 43 - HA ASN 24 lone 1 83 - 1 - H GLN 48 - HA ASN 24 lone 1 68 - 1 - Peak 1522 from cnoeabs.peaks (8.39, 2.91, 38.34 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 4.0=100 Peak 1523 from cnoeabs.peaks (4.95, 2.91, 38.34 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.0=100 Peak 1524 from cnoeabs.peaks (2.91, 2.91, 38.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 Peak 1525 from cnoeabs.peaks (2.72, 2.91, 38.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 1.8=100 Peak 1526 from cnoeabs.peaks (7.00, 2.91, 38.34 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 1527 from cnoeabs.peaks (7.63, 2.91, 38.34 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 1528 from cnoeabs.peaks (8.39, 2.72, 38.34 ppm; 4.00 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 24 + HB3 ASN 24 OK 98 100 - 98 - 4.0=96, 666/1.8=38...(5) H ASN 14 + HB3 ASN 13 OK 81 98 - 82 - 4.6=64, 10/3.0=35...(4) H ASN 24 - HB3 ASN 13 lone 8 98 - 8 - 667=3, 4038/3.0=1...(4) H ASN 14 - HB3 ASN 24 lone 5 100 - 5 - 12=1, 72/4.4=1 H ASN 52 - HB3 ASN 24 lone 2 71 - 3 - 72/4.4=2 H ASN 52 - HB3 ASN 13 lone 1 67 - 2 - Peak 1529 from cnoeabs.peaks (4.95, 2.72, 38.34 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.0=100 Peak 1530 from cnoeabs.peaks (2.91, 2.72, 38.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 1.8=100 Peak 1531 from cnoeabs.peaks (2.72, 2.72, 38.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 HB3 ASN 13 + HB3 ASN 13 OK 96 96 - 100 Peak 1532 from cnoeabs.peaks (7.00, 2.72, 38.34 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 HD21 ASN 13 + HB3 ASN 13 OK 69 69 - 100 - 3.5=100 Peak 1533 from cnoeabs.peaks (7.63, 2.72, 38.34 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 1534 from cnoeabs.peaks (6.84, 4.15, 61.58 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + HA VAL 25 OK 100 100 - 100 - 3.0=100 Peak 1535 from cnoeabs.peaks (4.15, 4.15, 61.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + HA VAL 25 OK 100 100 - 100 Peak 1536 from cnoeabs.peaks (1.99, 4.15, 61.58 ppm; 3.01 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 25 + HA VAL 25 OK 100 100 - 100 - 3.0=99, 672/3.0=17...(11) HB2 GLU 23 - HA VAL 25 OK 12 96 - 13 - 672/3.0=5, ~4853=4...(4) HG2 PRO 49 - HA VAL 25 lone 3 97 - 3 - HB2 LYS 77 - HA VAL 25 lone 3 92 - 3 - 4087/3.6=1 HB3 GLU 28 - HA VAL 25 lone 2 92 - 3 - 80/3.6=2 HB3 GLN 36 - HA VAL 25 lone 2 78 - 3 - HG3 PRO 74 - HA VAL 25 lone 1 98 - 1 - HB2 GLU 65 - HA VAL 25 lone 1 90 - 1 - HG2 GLN 19 - HA VAL 25 lone 1 87 - 1 - Peak 1537 from cnoeabs.peaks (0.79, 4.15, 61.58 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.99: * QG1 VAL 25 + HA VAL 25 OK 98 100 - 98 - 3.2=94, 2.1/1536=26...(12) QG2 VAL 25 + HA VAL 25 OK 67 68 - 98 - 3.2=94, 2.1/1536=26...(12) QD1 LEU 53 - HA VAL 25 OK 35 76 - 46 - ~4910=10, 5787/3.6=7...(13) QD1 ILE 93 - HA VAL 25 lone 7 100 - 7 - ~4899=1, ~4900=1, ~3822=1 QG2 ILE 40 - HA VAL 25 lone 3 73 - 4 - ~5405=1 Peak 1538 from cnoeabs.peaks (0.82, 4.15, 61.58 ppm; 2.83 A): 2 out of 9 assignments used, quality = 0.94: * QG2 VAL 25 + HA VAL 25 OK 86 100 - 86 - 3.2=69, 2.1/1536=22...(11) QG1 VAL 25 + HA VAL 25 OK 59 68 - 86 - 3.2=69, 2.1/1536=22...(12) QD2 LEU 62 - HA VAL 25 OK 25 83 - 30 - ~5963=6, ~4893=6...(10) QG2 ILE 16 - HA VAL 25 lone 8 96 - 8 - 4623/3.0=2, 3.2/4896=2 QG1 VAL 30 - HA VAL 25 lone 7 76 - 10 - 4089/3.6=3, 2.1/5049=2, ~4905=1 QG2 VAL 30 - HA VAL 25 lone 6 60 - 9 - 5065/3.6=3, ~4905=1 QG2 ILE 40 - HA VAL 25 lone 4 100 - 4 - 674/3.0=1 QG2 ILE 80 - HA VAL 25 lone 3 68 - 5 - QD1 ILE 93 - HA VAL 25 lone 3 57 - 5 - Peak 1539 from cnoeabs.peaks (6.84, 1.99, 32.18 ppm; 3.29 A): 4 out of 6 assignments used, quality = 0.92: * H VAL 25 + HB VAL 25 OK 85 100 - 85 - 4.0=58, 1544/2.1=26...(10) HZ PHE 70 + HB VAL 25 OK 21 85 - 25 - 1544/2.1=6, 1549/2.1=5...(9) QE TYR 54 + HB2 LYS 77 OK 16 85 - 19 - 2.2/3260=3, ~6412=3...(10) QE TYR 54 + HB VAL 25 OK 12 99 - 12 - 1544/2.1=4, 1549/2.1=3...(4) H VAL 25 - HB2 LYS 77 lone 5 87 - 5 - 672=2, 4.6/4087=1 HZ PHE 70 - HB2 LYS 77 lone 1 67 - 2 - Peak 1540 from cnoeabs.peaks (4.15, 1.99, 32.18 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + HB VAL 25 OK 100 100 - 100 - 3.0=100 Peak 1541 from cnoeabs.peaks (1.99, 1.99, 32.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 25 + HB VAL 25 OK 100 100 - 100 HB2 LYS 77 + HB2 LYS 77 OK 75 75 - 100 Peak 1542 from cnoeabs.peaks (0.79, 1.99, 32.18 ppm; 2.93 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 25 + HB VAL 25 OK 100 100 - 100 - 2.1=100 QG2 VAL 25 + HB VAL 25 OK 68 68 - 100 - 2.1=100 Peak 1543 from cnoeabs.peaks (0.82, 1.99, 32.18 ppm; 2.71 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 25 + HB VAL 25 OK 100 100 - 100 - 2.1=100 QG1 VAL 25 + HB VAL 25 OK 68 68 - 100 - 2.1=100 Peak 1544 from cnoeabs.peaks (6.84, 0.79, 21.07 ppm; 2.99 A): 3 out of 3 assignments used, quality = 0.86: * H VAL 25 + QG1 VAL 25 OK 80 100 - 80 - 3.9=46, 672/2.1=21...(14) HZ PHE 70 + QG1 VAL 25 OK 19 85 - 22 - 1549/2.1=4, 1539/2.1=4...(7) QE TYR 54 + QG1 VAL 25 OK 13 99 - 13 - 4696/4882=2, 1539/2.1=2...(5) Peak 1545 from cnoeabs.peaks (4.15, 0.79, 21.07 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + QG1 VAL 25 OK 100 100 - 100 - 3.2=100 Peak 1546 from cnoeabs.peaks (1.99, 0.79, 21.07 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 25 + QG1 VAL 25 OK 100 100 - 100 - 2.1=100 Peak 1547 from cnoeabs.peaks (0.79, 0.79, 21.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 25 + QG1 VAL 25 OK 100 100 - 100 Peak 1548 from cnoeabs.peaks (0.82, 0.79, 21.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: QG1 VAL 25 + QG1 VAL 25 OK 68 68 - 100 Reference assignment not found: QG2 VAL 25 - QG1 VAL 25 Peak 1549 from cnoeabs.peaks (6.84, 0.82, 22.47 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.94: * H VAL 25 + QG2 VAL 25 OK 94 100 - 94 - 3.9=76, 1544/2.1=29...(13) HZ PHE 70 - QG2 VAL 25 OK 28 85 - 32 - 1544/2.1=7, 1539/2.1=6...(12) QE TYR 54 - QG2 VAL 25 OK 15 99 - 15 - 1544/2.1=5, 1539/2.1=3...(4) HZ PHE 70 - QG1 VAL 30 OK 13 47 - 27 - 4777=4, ~5064=3...(10) H VAL 25 - QG1 VAL 30 poor 9 64 - 14 - 4.6/4089=3, 674=2...(6) QE TYR 54 - QG1 VAL 30 lone 4 62 - 6 - Peak 1550 from cnoeabs.peaks (4.15, 0.82, 22.47 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 25 + QG2 VAL 25 OK 100 100 - 100 - 3.2=100 Peak 1551 from cnoeabs.peaks (1.99, 0.82, 22.47 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 25 + QG2 VAL 25 OK 100 100 - 100 - 2.1=100 Peak 1552 from cnoeabs.peaks (0.79, 0.82, 22.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: QG2 VAL 25 + QG2 VAL 25 OK 68 68 - 100 Reference assignment not found: QG1 VAL 25 - QG2 VAL 25 Peak 1553 from cnoeabs.peaks (0.82, 0.82, 22.47 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 25 + QG2 VAL 25 OK 100 100 - 100 QG1 VAL 30 - QG1 VAL 30 OK 41 41 - 100 Peak 1554 from cnoeabs.peaks (7.30, 4.72, 58.37 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H THR 26 + HA THR 26 OK 100 100 - 100 - 3.0=100 Peak 1555 from cnoeabs.peaks (4.72, 4.72, 58.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 26 + HA THR 26 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (4.68, 4.72, 58.37 ppm; 2.41 A): 2 out of 7 assignments used, quality = 0.75: * HB THR 26 + HA THR 26 OK 72 100 - 72 - 3.0=51, 2.1/1563=18...(9) HA LEU 53 + HA THR 26 OK 11 89 - 13 - 85/3.6=3, 677/3.0=3...(5) HA SER 96 - HA THR 26 lone 2 95 - 2 - HA GLU 87 - HA THR 26 lone 1 89 - 2 - HA GLN 48 - HA THR 26 lone 1 92 - 1 - HA PRO 92 - HA THR 26 lone 1 63 - 1 - HA PHE 83 - HA THR 26 lone 0 73 - 1 - Peak 1557 from cnoeabs.peaks (1.26, 4.72, 58.37 ppm; 3.07 A): 1 out of 6 assignments used, quality = 0.96: * QG2 THR 26 + HA THR 26 OK 96 100 - 96 - 3.2=87, 2.1/1556=32...(12) QB ALA 98 - HA THR 26 lone 7 100 - 7 - 678/3.0=3, 4896/4.9=2, 86/3.6=2 HG12 ILE 16 - HA THR 26 lone 4 73 - 6 - 86/3.6=1, 678/3.0=1, 4896/4.9=1 HG3 LYS 86 - HA THR 26 lone 3 90 - 3 - HG3 LYS 35 - HA THR 26 lone 3 100 - 3 - HG13 ILE 39 - HA THR 26 lone 2 83 - 2 - Peak 1558 from cnoeabs.peaks (7.30, 4.68, 72.73 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 26 + HB THR 26 OK 100 100 - 100 - 4.0=100 Peak 1559 from cnoeabs.peaks (4.72, 4.68, 72.73 ppm; 2.67 A): 2 out of 4 assignments used, quality = 0.87: * HA THR 26 + HB THR 26 OK 85 100 - 85 - 3.0=69, 1563/2.1=22...(9) HA LEU 53 + HB THR 26 OK 11 89 - 13 - 1563/2.1=3, 84/4.4=3...(6) HA GLU 87 - HB THR 26 lone 2 89 - 3 - HA SER 96 - HB THR 26 lone 2 81 - 2 - Peak 1560 from cnoeabs.peaks (4.68, 4.68, 72.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 26 + HB THR 26 OK 100 100 - 100 Peak 1561 from cnoeabs.peaks (1.26, 4.68, 72.73 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 26 + HB THR 26 OK 100 100 - 100 - 2.1=100 Peak 1562 from cnoeabs.peaks (7.30, 1.26, 21.58 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.94: * H THR 26 + QG2 THR 26 OK 94 100 - 94 - 4.0=71, 3.0/1563=29...(14) Peak 1563 from cnoeabs.peaks (4.72, 1.26, 21.58 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.88: * HA THR 26 + QG2 THR 26 OK 87 100 - 87 - 3.2=66, 1556/2.1=28...(12) HA LEU 53 + QG2 THR 26 OK 13 89 - 14 - 4.0/5811=5, 84/4.0=4...(4) HA GLU 87 - QG2 THR 26 lone 3 89 - 3 - HA SER 96 - QG2 THR 26 lone 2 81 - 2 - Peak 1564 from cnoeabs.peaks (4.68, 1.26, 21.58 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 26 + QG2 THR 26 OK 100 100 - 100 - 2.1=100 Peak 1565 from cnoeabs.peaks (1.26, 1.26, 21.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 26 + QG2 THR 26 OK 100 100 - 100 Peak 1566 from cnoeabs.peaks (9.07, 3.51, 65.32 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 27 + HA ILE 27 OK 100 100 - 100 - 3.0=100 Peak 1567 from cnoeabs.peaks (3.51, 3.51, 65.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 27 + HA ILE 27 OK 100 100 - 100 Peak 1568 from cnoeabs.peaks (1.87, 3.51, 65.32 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + HA ILE 27 OK 100 100 - 100 - 3.0=100 Peak 1569 from cnoeabs.peaks (0.93, 3.51, 65.32 ppm; 3.03 A): 2 out of 3 assignments used, quality = 0.99: * QG2 ILE 27 + HA ILE 27 OK 97 100 - 97 - 3.2=85, 1580/3.0=18...(24) QD1 ILE 27 + HA ILE 27 OK 72 83 - 87 - 4.2=38, 2.8/1581=22...(23) QD1 ILE 39 - HA ILE 27 lone 5 92 - 6 - 4155/1148=1, 90/3.6=1 Peak 1570 from cnoeabs.peaks (1.66, 3.51, 65.32 ppm; 3.69 A): 1 out of 18 assignments used, quality = 0.99: * HG12 ILE 27 + HA ILE 27 OK 99 100 - 99 - 3.8=94, 1.8/1595=35...(16) HG12 ILE 40 - HA ILE 27 OK 28 87 - 33 - 2.1/4958=13, 1588=5...(9) HB2 MET 50 - HA ILE 27 OK 21 99 - 21 - ~4970=7, ~5659=5...(6) HB ILE 40 - HA ILE 27 OK 21 73 - 28 - 3.2/4958=10, 3.9/4410=4...(8) QB ALA 79 - HA ILE 27 OK 16 97 - 16 - 6475/4.2=2, 6474/3.8=2...(7) HD2 LYS 44 - HA ILE 27 OK 10 76 - 14 - 3.0/4960=2, 91/3.6=2...(7) HD3 LYS 44 - HA ILE 27 OK 10 73 - 14 - 3.0/4960=2, 91/3.6=2...(7) HB VAL 18 - HA ILE 27 lone 7 81 - 9 - 4.3/4410=2, 4714/6039=2 HG3 GLN 19 - HA ILE 27 lone 7 97 - 7 - 5.2/4410=2 HD2 LYS 94 - HA ILE 27 lone 6 85 - 7 - 1588=1 HD3 LYS 94 - HA ILE 27 lone 6 85 - 7 - 1588=1 HD3 LYS 61 - HA ILE 27 lone 4 76 - 5 - HD2 LYS 61 - HA ILE 27 lone 4 76 - 5 - HB3 LYS 61 - HA ILE 27 lone 3 100 - 3 - HD3 LYS 63 - HA ILE 27 lone 2 76 - 3 - HD3 LYS 35 - HA ILE 27 lone 2 65 - 3 - HG3 ARG 57 - HA ILE 27 lone 1 78 - 2 - HG2 ARG 57 - HA ILE 27 lone 1 73 - 2 - Peak 1571 from cnoeabs.peaks (1.16, 3.51, 65.32 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.98: * HG13 ILE 27 + HA ILE 27 OK 98 100 - 98 - 3.8=79, 2.1/1602=27...(20) HB2 LEU 21 - HA ILE 27 OK 15 100 - 15 - 684/3.0=2, 5735/5730=2...(8) HB3 LEU 21 - HA ILE 27 OK 14 99 - 15 - 684/3.0=2, 5735/5730=2...(8) QG2 THR 15 - HA ILE 27 lone 9 100 - 9 - 4046/3.6=3, 684/3.0=2 HG13 ILE 37 - HA ILE 27 lone 6 87 - 7 - 684/3.0=1 Peak 1572 from cnoeabs.peaks (0.95, 3.51, 65.32 ppm; 2.94 A): 2 out of 3 assignments used, quality = 0.97: * QD1 ILE 27 + HA ILE 27 OK 86 100 - 86 - 4.2=35, 2.8/1581=21...(23) QG2 ILE 27 + HA ILE 27 OK 78 83 - 94 - 3.2=78, 2.8/1602=17...(23) QB ALA 66 - HA ILE 27 OK 23 96 - 24 - 6039=6, 6028/4959=6...(7) Peak 1573 from cnoeabs.peaks (9.07, 1.87, 37.41 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.94: * H ILE 27 + HB ILE 27 OK 94 100 - 94 - 4.0=61, 1580/2.1=27...(18) Peak 1574 from cnoeabs.peaks (3.51, 1.87, 37.41 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 27 + HB ILE 27 OK 100 100 - 100 - 3.0=100 Peak 1575 from cnoeabs.peaks (1.87, 1.87, 37.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + HB ILE 27 OK 100 100 - 100 Peak 1576 from cnoeabs.peaks (0.93, 1.87, 37.41 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 27 + HB ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1577 from cnoeabs.peaks (1.66, 1.87, 37.41 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 27 + HB ILE 27 OK 100 100 - 100 - 2.8=100 Peak 1578 from cnoeabs.peaks (1.16, 1.87, 37.41 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 27 + HB ILE 27 OK 100 100 - 100 - 2.8=100 Peak 1579 from cnoeabs.peaks (0.95, 1.87, 37.41 ppm; 2.80 A): 1 out of 1 assignment used, quality = 0.83: QG2 ILE 27 + HB ILE 27 OK 83 83 - 100 - 2.1=100 Reference assignment not found: QD1 ILE 27 - HB ILE 27 Peak 1580 from cnoeabs.peaks (9.07, 0.93, 16.99 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 27 + QG2 ILE 27 OK 99 100 - 99 - 4.0=89, 1573/2.1=40...(18) Peak 1581 from cnoeabs.peaks (3.51, 0.93, 16.99 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.99: * HA ILE 27 + QG2 ILE 27 OK 99 100 - 99 - 3.2=97, 3.0/1580=20...(25) HB2 ASN 14 - QG2 ILE 27 lone 5 78 - 6 - 1602/2.8=1, 1595/3.2=1 HB3 PHE 83 - QG2 ILE 27 lone 3 57 - 6 - 1602/2.8=1 Peak 1582 from cnoeabs.peaks (1.87, 0.93, 16.99 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + QG2 ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1583 from cnoeabs.peaks (0.93, 0.93, 16.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 27 + QG2 ILE 27 OK 100 100 - 100 Peak 1584 from cnoeabs.peaks (1.66, 0.93, 16.99 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 27 + QG2 ILE 27 OK 100 100 - 100 - 3.2=100 Peak 1585 from cnoeabs.peaks (1.16, 0.93, 16.99 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 27 + QG2 ILE 27 OK 100 100 - 100 - 3.2=100 Peak 1586 from cnoeabs.peaks (0.95, 0.93, 16.99 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG2 ILE 27 + QG2 ILE 27 OK 83 83 - 100 Reference assignment not found: QD1 ILE 27 - QG2 ILE 27 Peak 1587 from cnoeabs.peaks (9.07, 1.66, 28.79 ppm; 3.60 A): 1 out of 9 assignments used, quality = 0.95: * H ILE 27 + HG12 ILE 27 OK 95 100 - 95 - 4.6=49, 1594/1.8=35...(15) H ILE 27 - HG12 ILE 40 poor 8 58 - 15 - ~4958=5, 683=3...(4) H ILE 27 - HD2 LYS 44 lone 4 46 - 10 - 683=2, 683/1.8=1...(4) H ILE 27 - HD3 LYS 44 lone 4 43 - 10 - 683=2, 683/1.8=2...(4) H ILE 27 - HD2 LYS 94 lone 4 70 - 5 - 683=1, 683/1.8=1 H ILE 27 - HD3 LYS 94 lone 4 70 - 5 - 683=1, 683/1.8=1 H ILE 27 - HD2 LYS 61 lone 3 64 - 4 - H ILE 27 - HD3 LYS 61 lone 3 64 - 4 - H ILE 27 - HD3 LYS 63 lone 1 63 - 2 - Peak 1588 from cnoeabs.peaks (3.51, 1.66, 28.79 ppm; 3.76 A): 1 out of 27 assignments used, quality = 0.99: * HA ILE 27 + HG12 ILE 27 OK 99 100 - 99 - 3.8=99 HA ILE 27 - HG12 ILE 40 OK 20 58 - 34 - 4958/2.1=13, 1570=6...(8) HA ILE 27 - HD2 LYS 44 poor 7 46 - 15 - 1570=2, 4960/3.0=2...(7) HA ILE 27 - HD3 LYS 44 poor 6 43 - 15 - 1570=2, 4960/3.0=2...(7) HB2 ASN 14 - HG12 ILE 27 lone 6 78 - 8 - 1595/1.8=2, 1602/2.1=2 HB3 PHE 83 - HG12 ILE 40 poor 6 27 - 23 - 2.4/4735=7, ~5401=4...(8) HB3 PHE 83 - HG12 ILE 27 poor 6 57 - 10 - 2.4/4735=2, 1602/2.1=2...(4) HA ILE 27 - HD3 LYS 94 lone 5 70 - 7 - 1570=1 HA ILE 27 - HD2 LYS 94 lone 5 70 - 7 - 1570=1 HB2 ASN 14 - HD3 LYS 63 lone 4 43 - 9 - 4531/1.8=2, ~7134=2, ~4534=2 HA ILE 27 - HD3 LYS 61 lone 3 64 - 5 - HA ILE 27 - HD2 LYS 61 lone 3 64 - 5 - HA ILE 27 - HD3 LYS 63 lone 2 63 - 3 - HB3 PHE 83 - HD2 LYS 94 lone 2 33 - 6 - HB3 PHE 83 - HD3 LYS 94 lone 2 33 - 6 - HB2 ASN 14 - HG12 ILE 40 lone 2 39 - 4 - HB3 PHE 83 - HD3 LYS 63 lone 1 29 - 3 - HB3 PHE 83 - HD3 LYS 61 lone 1 30 - 3 - HB3 PHE 83 - HD2 LYS 61 lone 1 30 - 3 - HB2 ASN 14 - HD2 LYS 94 lone 0 47 - 1 - HB2 ASN 14 - HD3 LYS 94 lone 0 47 - 1 - HB3 PHE 83 - HD2 LYS 44 lone 0 20 - 2 - HB3 PHE 83 - HD3 LYS 44 lone 0 19 - 2 - HB2 ASN 14 - HD2 LYS 61 lone 0 43 - 1 - HB2 ASN 14 - HD3 LYS 61 lone 0 43 - 1 - HB2 ASN 14 - HD2 LYS 44 lone 0 30 - 1 - HB2 ASN 14 - HD3 LYS 44 lone 0 28 - 1 - Peak 1589 from cnoeabs.peaks (1.87, 1.66, 28.79 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + HG12 ILE 27 OK 100 100 - 100 - 2.8=100 Peak 1590 from cnoeabs.peaks (0.93, 1.66, 28.79 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.83: QD1 ILE 27 + HG12 ILE 27 OK 83 83 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 27 - HG12 ILE 27 Peak 1591 from cnoeabs.peaks (1.66, 1.66, 28.79 ppm; diagonal): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 27 + HG12 ILE 27 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 53 53 - 100 HD3 LYS 94 + HD3 LYS 94 OK 53 53 - 100 HG12 ILE 40 - HG12 ILE 40 OK 45 45 - 100 HD3 LYS 61 - HD3 LYS 61 OK 41 41 - 100 HD2 LYS 61 - HD2 LYS 61 OK 41 41 - 100 HD3 LYS 63 - HD3 LYS 63 OK 41 41 - 100 HD2 LYS 44 - HD2 LYS 44 OK 29 29 - 100 HD3 LYS 44 - HD3 LYS 44 OK 26 26 - 100 Peak 1592 from cnoeabs.peaks (1.16, 1.66, 28.79 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 27 + HG12 ILE 27 OK 100 100 - 100 - 1.8=100 Peak 1593 from cnoeabs.peaks (0.95, 1.66, 28.79 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 27 + HG12 ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1594 from cnoeabs.peaks (9.07, 1.16, 28.79 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.96: * H ILE 27 + HG13 ILE 27 OK 96 100 - 96 - 4.6=52, 1573/2.8=32...(17) Peak 1595 from cnoeabs.peaks (3.51, 1.16, 28.79 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.98: * HA ILE 27 + HG13 ILE 27 OK 98 100 - 98 - 3.8=83, 1602/2.1=28...(20) HB2 ASN 14 - HG13 ILE 27 lone 6 78 - 8 - 1602/2.1=2, 1581/3.2=1 HB3 PHE 83 - HG13 ILE 27 lone 5 57 - 9 - 1602/2.1=2, ~4735=1, 1588/1.8=1 Peak 1596 from cnoeabs.peaks (1.87, 1.16, 28.79 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + HG13 ILE 27 OK 100 100 - 100 - 2.8=100 Peak 1597 from cnoeabs.peaks (0.93, 1.16, 28.79 ppm; 3.07 A): 1 out of 1 assignment used, quality = 0.83: QD1 ILE 27 + HG13 ILE 27 OK 83 83 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 27 - HG13 ILE 27 Peak 1598 from cnoeabs.peaks (1.66, 1.16, 28.79 ppm; 2.42 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 27 + HG13 ILE 27 OK 100 100 - 100 - 1.8=100 Peak 1599 from cnoeabs.peaks (1.16, 1.16, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 27 + HG13 ILE 27 OK 100 100 - 100 Peak 1600 from cnoeabs.peaks (0.95, 1.16, 28.79 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 27 + HG13 ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1601 from cnoeabs.peaks (9.07, 0.95, 12.61 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 27 + QD1 ILE 27 OK 99 100 - 99 - 5.0=68, 1594/2.1=44...(17) Peak 1602 from cnoeabs.peaks (3.51, 0.95, 12.61 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.98: * HA ILE 27 + QD1 ILE 27 OK 98 100 - 98 - 4.2=68, 1595/2.1=32...(26) HB2 ASN 14 - QD1 ILE 27 lone 7 78 - 9 - 1595/2.1=2, 1581/2.8=2 HB3 PHE 83 - QD1 ILE 27 poor 6 57 - 11 - 1595/2.1=2, ~4735=1...(4) Peak 1603 from cnoeabs.peaks (1.87, 0.95, 12.61 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 27 + QD1 ILE 27 OK 100 100 - 100 - 3.2=100 Peak 1604 from cnoeabs.peaks (0.93, 0.95, 12.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QD1 ILE 27 + QD1 ILE 27 OK 83 83 - 100 Reference assignment not found: QG2 ILE 27 - QD1 ILE 27 Peak 1605 from cnoeabs.peaks (1.66, 0.95, 12.61 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 27 + QD1 ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1606 from cnoeabs.peaks (1.16, 0.95, 12.61 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 27 + QD1 ILE 27 OK 100 100 - 100 - 2.1=100 Peak 1607 from cnoeabs.peaks (0.95, 0.95, 12.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 27 + QD1 ILE 27 OK 100 100 - 100 Peak 1608 from cnoeabs.peaks (8.80, 3.98, 60.18 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + HA GLU 28 OK 100 100 - 100 - 2.9=100 Peak 1609 from cnoeabs.peaks (3.98, 3.98, 60.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 1610 from cnoeabs.peaks (2.08, 3.98, 60.18 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1611 from cnoeabs.peaks (1.98, 3.98, 60.18 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1612 from cnoeabs.peaks (2.26, 3.98, 60.18 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.94: * HG2 GLU 28 + HA GLU 28 OK 94 100 - 94 - 3.7=79, 1.8/1633=24...(14) HB3 LYS 86 - HA GLU 28 lone 8 83 - 10 - 690/2.9=3, 98/3.6=2, ~688=2 HG2 MET 50 - HA GLU 28 lone 7 97 - 7 - 5701/2.9=3, ~5703=2, 98/3.6=2 HG3 GLU 23 - HA GLU 28 lone 5 97 - 5 - 690/2.9=1, 98/3.6=1 HG2 GLU 58 - HA GLU 28 lone 1 68 - 1 - Peak 1613 from cnoeabs.peaks (2.47, 3.98, 60.18 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HA GLU 28 OK 100 100 - 100 - 3.7=100 Peak 1614 from cnoeabs.peaks (8.80, 2.08, 28.54 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 28 + HB2 GLU 28 OK 96 100 - 96 - 3.7=84, 689/1.8=30...(12) H ASN 43 - HB2 GLU 28 OK 18 99 - 18 - 5525/3.0=6, 1620/1.8=5...(4) H ILE 16 - HB2 GLU 28 OK 15 95 - 16 - 1620/1.8=4, 1632/3.0=3...(5) Peak 1615 from cnoeabs.peaks (3.98, 2.08, 28.54 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1616 from cnoeabs.peaks (2.08, 2.08, 28.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 1617 from cnoeabs.peaks (1.98, 2.08, 28.54 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 1.8=100 Peak 1618 from cnoeabs.peaks (2.26, 2.08, 28.54 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1619 from cnoeabs.peaks (2.47, 2.08, 28.54 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HB2 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1620 from cnoeabs.peaks (8.80, 1.98, 28.54 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 28 + HB3 GLU 28 OK 97 100 - 97 - 3.7=88, 688/1.8=37...(11) H ASN 43 - HB3 GLU 28 OK 19 99 - 19 - 5525/3.0=6, 1614/1.8=5...(4) H ILE 16 - HB3 GLU 28 OK 14 95 - 15 - 1614/1.8=4, 1632/3.0=3...(4) H ASN 43 - HG3 PRO 74 lone 4 78 - 6 - 5524/2.3=3 H GLU 28 - HG3 PRO 74 lone 4 81 - 5 - 689=2 H ILE 16 - HG3 PRO 74 lone 1 72 - 1 - Peak 1621 from cnoeabs.peaks (3.98, 1.98, 28.54 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1622 from cnoeabs.peaks (2.08, 1.98, 28.54 ppm; 2.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 1.8=100 HG2 PRO 74 - HG3 PRO 74 OK 42 42 - 100 - 1.8=100 Peak 1623 from cnoeabs.peaks (1.98, 1.98, 28.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 HG3 PRO 74 + HG3 PRO 74 OK 79 79 - 100 Peak 1624 from cnoeabs.peaks (2.26, 1.98, 28.54 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1625 from cnoeabs.peaks (2.47, 1.98, 28.54 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1626 from cnoeabs.peaks (8.80, 2.26, 36.84 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 28 + HG2 GLU 28 OK 92 100 - 92 - 5.1=44, 691/1.8=33...(11) H ASN 43 + HG2 GLU 28 OK 30 99 - 30 - 5525=11, 1632/1.8=6...(8) H ILE 16 - HG2 GLU 28 OK 17 95 - 17 - 1632/1.8=5, 1614/3.0=4...(5) Peak 1627 from cnoeabs.peaks (3.98, 2.26, 36.84 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.92: * HA GLU 28 + HG2 GLU 28 OK 89 100 - 89 - 3.7=68, 1633/1.8=22...(14) HB2 SER 29 + HG2 GLU 28 OK 16 68 - 24 - 4.0/98=10, 3.0/5025=7...(5) HA LYS 44 + HG2 GLU 28 OK 14 97 - 15 - 1633/1.8=4, 3.0/5000=3...(5) HB3 SER 96 - HG2 GLU 28 lone 2 92 - 2 - HB3 SER 89 - HG2 GLU 28 lone 1 90 - 1 - Peak 1628 from cnoeabs.peaks (2.08, 2.26, 36.84 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1629 from cnoeabs.peaks (1.98, 2.26, 36.84 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1630 from cnoeabs.peaks (2.26, 2.26, 36.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1631 from cnoeabs.peaks (2.47, 2.26, 36.84 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HG2 GLU 28 OK 100 100 - 100 - 1.8=100 Peak 1632 from cnoeabs.peaks (8.80, 2.47, 36.84 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.94: * H GLU 28 + HG3 GLU 28 OK 94 100 - 94 - 5.1=48, 688/3.0=33...(12) H ASN 43 - HG3 GLU 28 OK 22 99 - 22 - 5525/1.8=10, 1614/3.0=5...(5) H ILE 16 - HG3 GLU 28 OK 17 95 - 18 - 1626/1.8=5, 1614/3.0=4...(6) Peak 1633 from cnoeabs.peaks (3.98, 2.47, 36.84 ppm; 3.54 A): 1 out of 5 assignments used, quality = 0.97: * HA GLU 28 + HG3 GLU 28 OK 97 100 - 97 - 3.7=87, 1612/1.8=31...(14) HB2 SER 29 - HG3 GLU 28 OK 19 68 - 28 - 4.0/99=15, ~5025=5...(5) HA LYS 44 - HG3 GLU 28 OK 16 97 - 17 - 1627/1.8=5, 3.0/5004=3...(5) HB3 SER 96 - HG3 GLU 28 lone 2 92 - 2 - HB3 SER 89 - HG3 GLU 28 lone 1 90 - 2 - Peak 1634 from cnoeabs.peaks (2.08, 2.47, 36.84 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1635 from cnoeabs.peaks (1.98, 2.47, 36.84 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 3.0=100 Peak 1636 from cnoeabs.peaks (2.26, 2.47, 36.84 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 28 + HG3 GLU 28 OK 100 100 - 100 - 1.8=100 Peak 1637 from cnoeabs.peaks (2.47, 2.47, 36.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 Peak 1638 from cnoeabs.peaks (8.23, 4.38, 61.01 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H SER 29 + HA SER 29 OK 100 100 - 100 - 2.9=100 Peak 1639 from cnoeabs.peaks (4.38, 4.38, 61.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 29 + HA SER 29 OK 100 100 - 100 HA THR 42 + HA THR 42 OK 91 91 - 100 Peak 1640 from cnoeabs.peaks (4.01, 4.38, 61.01 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 Peak 1641 from cnoeabs.peaks (4.08, 4.38, 61.01 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 29 + HA SER 29 OK 100 100 - 100 - 3.0=100 Peak 1642 from cnoeabs.peaks (8.23, 4.01, 62.58 ppm; 3.67 A): 1 out of 6 assignments used, quality = 0.88: * H SER 29 + HB2 SER 29 OK 88 100 - 88 - 4.0=76, 1646/1.8=31...(7) H GLY 20 - HB2 SER 29 poor 10 90 - 11 - 100/4.6=4, 1646/1.8=3 H ASP 12 - HB2 SER 29 lone 7 100 - 7 - 1646/1.8=2, 100/4.6=2 H SER 29 - HB3 SER 89 lone 4 77 - 5 - 694=1 H GLY 20 - HB3 SER 89 lone 1 63 - 1 - H ASP 12 - HB3 SER 89 lone 1 77 - 1 - Peak 1643 from cnoeabs.peaks (4.38, 4.01, 62.58 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 29 + HB2 SER 29 OK 100 100 - 100 - 3.0=100 Peak 1644 from cnoeabs.peaks (4.01, 4.01, 62.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 29 + HB2 SER 29 OK 100 100 - 100 HB3 SER 89 + HB3 SER 89 OK 71 71 - 100 Peak 1645 from cnoeabs.peaks (4.08, 4.01, 62.58 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 29 + HB2 SER 29 OK 100 100 - 100 - 1.8=100 Peak 1646 from cnoeabs.peaks (8.23, 4.08, 62.58 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.88: * H SER 29 + HB3 SER 29 OK 88 100 - 88 - 4.0=79, 1642/1.8=30...(5) H GLY 20 - HB3 SER 29 lone 9 90 - 10 - 100/4.6=4, 1642/1.8=3 H ASP 12 - HB3 SER 29 lone 6 100 - 6 - 1642/1.8=2, 100/4.6=2 Peak 1647 from cnoeabs.peaks (4.38, 4.08, 62.58 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 29 + HB3 SER 29 OK 100 100 - 100 - 3.0=100 Peak 1648 from cnoeabs.peaks (4.01, 4.08, 62.58 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 29 + HB3 SER 29 OK 100 100 - 100 - 1.8=100 Peak 1649 from cnoeabs.peaks (4.08, 4.08, 62.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 29 + HB3 SER 29 OK 100 100 - 100 Peak 1650 from cnoeabs.peaks (7.97, 3.75, 66.89 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 30 + HA VAL 30 OK 100 100 - 100 - 3.0=100 Peak 1651 from cnoeabs.peaks (3.75, 3.75, 66.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 30 + HA VAL 30 OK 100 100 - 100 Peak 1652 from cnoeabs.peaks (2.19, 3.75, 66.89 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 30 + HA VAL 30 OK 100 100 - 100 - 3.0=100 Peak 1653 from cnoeabs.peaks (0.85, 3.75, 66.89 ppm; 2.69 A): 2 out of 10 assignments used, quality = 0.95: QG1 VAL 30 + HA VAL 30 OK 78 99 - 79 - 3.2=60, 2.1/1661=15...(14) * QG2 VAL 30 + HA VAL 30 OK 75 100 - 75 - 3.2=60, 1660/3.0=7...(14) QD1 ILE 51 - HA VAL 30 OK 20 71 - 28 - 5708/3.6=4, 5740/3.0=3...(13) QG2 ILE 80 - HA VAL 30 OK 16 100 - 16 - 3.0/5105=3, 4324/3.0=2, ~5108=1 QG2 VAL 25 - HA VAL 30 poor 9 60 - 15 - 2.1/4905=5, 700/3.0=2, ~4880=1 QG2 ILE 16 - HA VAL 30 lone 8 89 - 9 - 700/3.0=1 QD2 LEU 62 - HA VAL 30 lone 7 98 - 7 - 1661=1, 700/3.0=1 QG2 ILE 37 - HA VAL 30 lone 7 100 - 7 - QG1 VAL 18 - HA VAL 30 lone 6 76 - 8 - 4717/5105=1 QG2 THR 42 - HA VAL 30 lone 3 63 - 5 - 4.0/778=1 Peak 1654 from cnoeabs.peaks (0.84, 3.75, 66.89 ppm; 2.69 A): 2 out of 9 assignments used, quality = 0.95: * QG1 VAL 30 + HA VAL 30 OK 79 100 - 79 - 3.2=60, 2.1/1661=15...(14) QG2 VAL 30 + HA VAL 30 OK 75 99 - 75 - 3.2=60, 700/3.0=7...(14) QG2 ILE 80 - HA VAL 30 OK 16 100 - 16 - 3.0/5105=3, 4324/3.0=2, ~5108=1 QG2 VAL 25 - HA VAL 30 OK 12 76 - 16 - 2.1/4905=5, 700/3.0=2, ~4880=1 QG2 ILE 40 - HA VAL 30 OK 12 71 - 17 - 2018/3.6=4, 5438/3.0=2...(6) QG2 ILE 16 - HA VAL 30 lone 9 97 - 9 - 700/3.0=1 QD2 LEU 62 - HA VAL 30 lone 7 100 - 7 - 1661=1, 700/3.0=1 QG2 ILE 37 - HA VAL 30 lone 7 99 - 7 - QG1 VAL 18 - HA VAL 30 lone 4 60 - 6 - Peak 1655 from cnoeabs.peaks (7.97, 2.19, 31.35 ppm; 3.26 A): 2 out of 14 assignments used, quality = 0.86: * H VAL 30 + HB VAL 30 OK 80 100 - 80 - 4.0=56, 1660/2.1=13...(13) H PHE 34 + HB VAL 30 OK 29 92 - 32 - 1660/2.1=7, 1163/3.0=7...(9) H ASP 81 - HB VAL 30 lone 7 92 - 8 - 1660/2.1=2, 368/2.1=2, 104/4.4=1 H GLY 22 - HB VAL 30 poor 7 71 - 10 - 1660/2.1=2, 1665/2.1=1 H ASP 84 - HB VAL 30 lone 6 83 - 7 - 1660/2.1=2, 4.3/4409=2...(4) H LYS 63 - HB VAL 30 lone 5 71 - 6 - 286/2.1=2, 286/2.1=2 HE21 GLN 19 - HB VAL 30 lone 4 78 - 5 - 4.6/7176=2 H VAL 30 - HB3 PRO 92 lone 3 62 - 5 - 698=1 H GLY 22 - HB3 PRO 92 lone 2 37 - 4 - 56/4.1=2 H PHE 34 - HB3 PRO 92 lone 2 52 - 3 - H ASP 81 - HB3 PRO 92 lone 1 52 - 2 - H ASP 84 - HB3 PRO 92 lone 1 44 - 1 - H LYS 63 - HB3 PRO 92 lone 0 37 - 1 - HE21 GLN 19 - HB3 PRO 92 lone 0 41 - 1 - Peak 1656 from cnoeabs.peaks (3.75, 2.19, 31.35 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 30 + HB VAL 30 OK 100 100 - 100 - 3.0=100 Peak 1657 from cnoeabs.peaks (2.19, 2.19, 31.35 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 30 + HB VAL 30 OK 100 100 - 100 HB3 PRO 92 - HB3 PRO 92 OK 40 40 - 100 Peak 1658 from cnoeabs.peaks (0.85, 2.19, 31.35 ppm; 2.75 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 30 + HB VAL 30 OK 100 100 - 100 - 2.1=100 QG1 VAL 30 + HB VAL 30 OK 99 99 - 100 - 2.1=100 Peak 1659 from cnoeabs.peaks (0.84, 2.19, 31.35 ppm; 2.75 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 30 + HB VAL 30 OK 100 100 - 100 - 2.1=100 QG2 VAL 30 + HB VAL 30 OK 99 99 - 100 - 2.1=100 Peak 1660 from cnoeabs.peaks (7.97, 0.85, 24.20 ppm; 3.08 A): 6 out of 14 assignments used, quality = 0.94: * H VAL 30 + QG2 VAL 30 OK 82 100 - 82 - 3.9=49, 698/2.1=22...(15) H PHE 34 + QG2 VAL 30 OK 46 92 - 50 - 1163/3.2=6, 1655/2.1=6...(16) H LYS 63 + QD2 LEU 62 OK 15 31 - 48 - 286=10, 3.6/2849=10...(11) H ASP 81 + QG2 VAL 30 OK 14 92 - 15 - 368=3, 368/2.1=2...(4) H GLY 22 + QG2 VAL 30 OK 11 71 - 16 - 61/5108=2, 4.6/4813=1...(6) H ASP 84 + QG2 VAL 30 OK 10 83 - 12 - 1665/2.1=1, 368=1...(4) H LYS 63 - QG2 VAL 30 poor 9 71 - 12 - 286=2, 286/2.1=2...(4) H PHE 34 - QD2 LEU 62 poor 8 44 - 18 - 5192=2, 3.0/5194=1...(4) H VAL 30 - QD2 LEU 62 poor 7 53 - 13 - 700=2, 5038/5052=2 H GLY 22 - QD2 LEU 62 poor 5 31 - 17 - ~5954=2, 4256/3.1=2...(8) H ASP 84 - QD2 LEU 62 lone 4 38 - 9 - 6633/2.1=2, 4.0/6639=2, ~6636=1 HE21 GLN 19 - QG2 VAL 30 lone 3 78 - 4 - H ASP 81 - QD2 LEU 62 lone 2 44 - 5 - HE21 GLN 19 - QD2 LEU 62 lone 0 35 - 1 - Peak 1661 from cnoeabs.peaks (3.75, 0.85, 24.20 ppm; 3.12 A): 1 out of 12 assignments used, quality = 0.97: * HA VAL 30 + QG2 VAL 30 OK 97 100 - 97 - 3.2=94, 1654/2.1=13...(21) HA2 GLY 20 - QG2 VAL 30 OK 14 97 - 14 - 2.9/5073=3, ~5072=3...(5) HA2 GLY 64 - QD2 LEU 62 OK 13 53 - 25 - 3.0/5991=3, ~5990=3...(11) HA2 GLY 64 - QG2 VAL 30 OK 13 100 - 13 - 5993/5107=2, 5994/5108=2...(5) HA VAL 30 - QD2 LEU 62 poor 6 53 - 10 - 1654=2, 3.0/700=1 HA2 GLY 22 - QD2 LEU 62 poor 4 25 - 15 - ~5954=2, ~5952=2...(7) HB THR 42 - QG2 VAL 30 lone 4 92 - 4 - HA2 GLY 22 - QG2 VAL 30 lone 4 60 - 6 - 3.0/1660=1 HA2 GLY 60 - QG2 VAL 30 lone 2 83 - 2 - HA2 GLY 20 - QD2 LEU 62 lone 2 49 - 3 - HA2 GLY 60 - QD2 LEU 62 lone 1 38 - 3 - 7194/5870=2 HB THR 42 - QD2 LEU 62 lone 1 44 - 1 - Peak 1662 from cnoeabs.peaks (2.19, 0.85, 24.20 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 30 + QG2 VAL 30 OK 100 100 - 100 - 2.1=100 Peak 1663 from cnoeabs.peaks (0.85, 0.85, 24.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 30 + QG2 VAL 30 OK 100 100 - 100 QD2 LEU 62 + QD2 LEU 62 OK 50 50 - 100 Peak 1664 from cnoeabs.peaks (0.84, 0.85, 24.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 30 + QG2 VAL 30 OK 99 99 - 100 QD2 LEU 62 + QD2 LEU 62 OK 53 53 - 100 Reference assignment not found: QG1 VAL 30 - QG2 VAL 30 Peak 1665 from cnoeabs.peaks (7.97, 0.84, 22.51 ppm; 3.89 A): 2 out of 14 assignments used, quality = 1.00: * H VAL 30 + QG1 VAL 30 OK 100 100 - 100 - 3.9=99, 698/2.1=30...(19) H PHE 34 + QG1 VAL 30 OK 66 92 - 72 - 4.5/5070=13, 1163/3.2=10...(22) H VAL 30 - QG2 VAL 25 OK 25 64 - 40 - 5055/4.3=13, ~4905=5...(12) H ASP 81 - QG1 VAL 30 OK 20 92 - 22 - 1660/2.1=3, 368=3...(7) H ASP 84 - QG1 VAL 30 OK 19 83 - 23 - 4.6/5071=4, 4.3/5047=3...(8) H GLY 22 - QG1 VAL 30 OK 18 71 - 26 - 3.6/4814=3, 4.6/4813=2...(8) H GLY 22 - QG2 VAL 25 OK 16 38 - 43 - 4880/2.1=6, 3.6/4814=6...(18) H PHE 34 - QG2 VAL 25 OK 16 53 - 31 - 5181/3.9=4, 4880/2.1=3...(13) H LYS 63 - QG1 VAL 30 OK 13 71 - 18 - 286=3, 286/2.1=3...(7) H LYS 63 - QG2 VAL 25 poor 9 38 - 24 - 4.7/5991=4, 4880/2.1=4...(8) HE21 GLN 19 - QG1 VAL 30 lone 5 78 - 6 - 6.6/4110=1, 1655/2.1=1 H ASP 84 - QG2 VAL 25 lone 4 46 - 8 - 4.6/4738=2, 4.3/5047=2 H ASP 81 - QG2 VAL 25 lone 4 53 - 7 - 1197/3.2=1 HE21 GLN 19 - QG2 VAL 25 lone 1 43 - 1 - Peak 1666 from cnoeabs.peaks (3.75, 0.84, 22.51 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 30 + QG1 VAL 30 OK 100 100 - 100 - 3.2=100 Peak 1667 from cnoeabs.peaks (2.19, 0.84, 22.51 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 30 + QG1 VAL 30 OK 100 100 - 100 - 2.1=100 Peak 1668 from cnoeabs.peaks (0.85, 0.84, 22.51 ppm; diagonal): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 30 + QG1 VAL 30 OK 99 99 - 100 QG2 VAL 25 - QG2 VAL 25 OK 31 31 - 100 Reference assignment not found: QG2 VAL 30 - QG1 VAL 30 Peak 1669 from cnoeabs.peaks (0.84, 0.84, 22.51 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 30 + QG1 VAL 30 OK 100 100 - 100 QG2 VAL 25 - QG2 VAL 25 OK 41 41 - 100 Peak 1670 from cnoeabs.peaks (8.70, 3.89, 55.52 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA ALA 31 OK 100 100 - 100 - 3.0=100 Peak 1671 from cnoeabs.peaks (3.89, 3.89, 55.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + HA ALA 31 OK 100 100 - 100 Peak 1672 from cnoeabs.peaks (1.46, 3.89, 55.52 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + HA ALA 31 OK 100 100 - 100 - 2.1=100 Peak 1673 from cnoeabs.peaks (8.70, 1.46, 17.52 ppm; 2.78 A): 2 out of 4 assignments used, quality = 0.95: * H ALA 31 + QB ALA 31 OK 92 100 - 92 - 2.9=86, 1083/3.5=12...(18) H ILE 40 + QB ALA 31 OK 33 99 - 33 - 4.7/5091=8, 4.6/5092=5...(9) H LYS 41 - QB ALA 31 OK 14 65 - 22 - 4.1/5436=4, 768=4...(7) H GLN 19 - QB ALA 31 lone 6 83 - 7 - Peak 1674 from cnoeabs.peaks (3.89, 1.46, 17.52 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + QB ALA 31 OK 100 100 - 100 - 2.1=100 Peak 1675 from cnoeabs.peaks (1.46, 1.46, 17.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + QB ALA 31 OK 100 100 - 100 Peak 1676 from cnoeabs.peaks (8.31, 4.30, 56.98 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 Peak 1677 from cnoeabs.peaks (4.30, 4.30, 56.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 32 + HA ASP 32 OK 100 100 - 100 HA ASP 81 + HA ASP 81 OK 85 85 - 100 Peak 1678 from cnoeabs.peaks (2.75, 4.30, 56.98 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 32 + HA ASP 32 OK 100 100 - 100 - 3.0=100 Peak 1679 from cnoeabs.peaks (2.62, 4.30, 56.98 ppm; 2.98 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASP 32 + HA ASP 32 OK 98 100 - 98 - 3.0=97, 707/3.0=19...(7) HB3 ASP 81 + HA ASP 81 OK 86 87 - 99 - 3.0=99 HB3 ASP 12 - HA ASP 32 OK 10 100 - 10 - 1685=3, 707/3.0=3...(4) HB3 ASP 32 - HA ASP 81 lone 9 91 - 10 - 1685=3, 964/3.0=2, 375/3.6=1 HB3 ASP 81 - HA ASP 32 lone 4 98 - 4 - 707/3.0=1 HB3 ASP 12 - HA ASP 81 lone 3 91 - 3 - 1685=1 HB3 ASN 52 - HA ASP 32 lone 1 65 - 2 - HB2 ASN 52 - HA ASP 32 lone 1 57 - 2 - HB3 ASN 52 - HA ASP 81 lone 0 54 - 1 - HB2 ASN 52 - HA ASP 81 lone 0 47 - 1 - Peak 1680 from cnoeabs.peaks (8.31, 2.75, 40.87 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.80: * H ASP 32 + HB2 ASP 32 OK 80 100 - 80 - 3.9=47, 707/1.8=28...(14) H LYS 45 - HB2 ASP 32 lone 6 100 - 5 - 1684/1.8=2, 112/4.5=1 H GLY 64 - HB2 ASP 32 lone 5 87 - 6 - 112/4.5=2, 1684/1.8=2 Peak 1681 from cnoeabs.peaks (4.30, 2.75, 40.87 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 3.0=100 Peak 1682 from cnoeabs.peaks (2.75, 2.75, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 32 + HB2 ASP 32 OK 100 100 - 100 Peak 1683 from cnoeabs.peaks (2.62, 2.75, 40.87 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 32 + HB2 ASP 32 OK 100 100 - 100 - 1.8=100 Peak 1684 from cnoeabs.peaks (8.31, 2.62, 40.87 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.86: * H ASP 32 + HB3 ASP 32 OK 84 100 - 84 - 3.9=54, 1680/1.8=32...(11) H ASP 32 + HB3 ASP 12 OK 14 98 - 14 - 707=6, 4.6/115=2...(5) H LYS 45 - HB3 ASP 32 lone 7 100 - 7 - 1680/1.8=2, 112/4.5=1 H GLY 64 - HB3 ASP 32 lone 6 87 - 7 - 112/4.5=3, 1680/1.8=2 H LYS 45 - HB3 ASP 12 lone 1 98 - 1 - H GLY 64 - HB3 ASP 12 lone 1 83 - 1 - Peak 1685 from cnoeabs.peaks (4.30, 2.62, 40.87 ppm; 3.01 A): 1 out of 8 assignments used, quality = 0.99: * HA ASP 32 + HB3 ASP 32 OK 99 100 - 99 - 3.0=99, 3.0/707=19...(8) HD2 PRO 73 - HB3 ASP 12 OK 16 59 - 28 - ~4502=8, ~7197=7...(6) HA ASP 32 - HB3 ASP 12 lone 9 98 - 10 - 3.0/707=3, 3.6/115=2...(4) HA ASP 81 - HB3 ASP 32 lone 9 97 - 9 - 3.0/964=2, 1679=2, 3.6/375=1 HD2 PRO 73 - HB3 ASP 32 poor 7 63 - 11 - 3.0/7198=4, 3.6/4421=2...(4) HA ASP 81 - HB3 ASP 12 lone 3 93 - 3 - HB THR 59 - HB3 ASP 32 lone 1 81 - 1 - HB THR 59 - HB3 ASP 12 lone 0 76 - 0 - Peak 1686 from cnoeabs.peaks (2.75, 2.62, 40.87 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 32 + HB3 ASP 32 OK 100 100 - 100 - 1.8=100 Peak 1687 from cnoeabs.peaks (2.62, 2.62, 40.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 32 + HB3 ASP 32 OK 100 100 - 100 HB3 ASP 12 + HB3 ASP 12 OK 98 98 - 100 Peak 1688 from cnoeabs.peaks (7.53, 4.20, 60.73 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 33 + HA TYR 33 OK 100 100 - 100 - 3.0=100 Peak 1689 from cnoeabs.peaks (4.20, 4.20, 60.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + HA TYR 33 OK 100 100 - 100 Peak 1690 from cnoeabs.peaks (3.09, 4.20, 60.73 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 33 + HA TYR 33 OK 100 100 - 100 - 3.0=100 Peak 1691 from cnoeabs.peaks (2.82, 4.20, 60.73 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 33 + HA TYR 33 OK 100 100 - 100 - 3.0=100 Peak 1694 from cnoeabs.peaks (6.22, 4.20, 60.73 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.97: * QE TYR 33 + HA TYR 33 OK 88 100 - 88 - 5.7=52, 2.2/1695=47...(7) QD PHE 88 + HA TYR 33 OK 78 99 - 79 - 6701/3.7=29, 4860/3.0=17...(12) Peak 1695 from cnoeabs.peaks (5.84, 4.20, 60.73 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.92: * QD TYR 33 + HA TYR 33 OK 92 100 - 92 - 3.7=75, 715/3.0=22...(13) Peak 1696 from cnoeabs.peaks (7.53, 3.09, 39.80 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.93: * H TYR 33 + HB2 TYR 33 OK 89 100 - 89 - 4.0=57, 711/1.8=36...(13) QD PHE 83 + HB2 TYR 33 OK 22 63 - 35 - 4660/2.5=7, 4664/4.4=6...(11) H GLN 36 + HB2 TYR 33 OK 16 73 - 22 - 1171/3.0=5, 1704/1.8=4...(5) Peak 1697 from cnoeabs.peaks (4.20, 3.09, 39.80 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + HB2 TYR 33 OK 100 100 - 100 - 3.0=100 Peak 1698 from cnoeabs.peaks (3.09, 3.09, 39.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 33 + HB2 TYR 33 OK 100 100 - 100 Peak 1699 from cnoeabs.peaks (2.82, 3.09, 39.80 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 33 + HB2 TYR 33 OK 100 100 - 100 - 1.8=100 Peak 1702 from cnoeabs.peaks (6.22, 3.09, 39.80 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 33 + HB2 TYR 33 OK 100 100 - 100 - 4.4=100 Peak 1703 from cnoeabs.peaks (5.84, 3.09, 39.80 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 33 + HB2 TYR 33 OK 100 100 - 100 - 2.5=100 Peak 1704 from cnoeabs.peaks (7.53, 2.82, 39.80 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.93: * H TYR 33 + HB3 TYR 33 OK 90 100 - 90 - 4.0=60, 710/1.8=32...(13) QD PHE 83 + HB3 TYR 33 OK 23 63 - 36 - 4660/2.5=8, 4664/4.4=6...(11) H GLN 36 + HB3 TYR 33 OK 17 73 - 23 - 1171/3.0=5, 1696/1.8=5...(6) Peak 1705 from cnoeabs.peaks (4.20, 2.82, 39.80 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + HB3 TYR 33 OK 100 100 - 100 - 3.0=100 Peak 1706 from cnoeabs.peaks (3.09, 2.82, 39.80 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 33 + HB3 TYR 33 OK 100 100 - 100 - 1.8=100 Peak 1707 from cnoeabs.peaks (2.82, 2.82, 39.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 33 + HB3 TYR 33 OK 100 100 - 100 Peak 1710 from cnoeabs.peaks (6.22, 2.82, 39.80 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 33 + HB3 TYR 33 OK 100 100 - 100 - 4.4=100 Peak 1711 from cnoeabs.peaks (5.84, 2.82, 39.80 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 33 + HB3 TYR 33 OK 100 100 - 100 - 2.5=100 Peak 1722 from cnoeabs.peaks (3.09, 6.22, 118.89 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.97: * HB2 TYR 33 + QE TYR 33 OK 97 97 - 100 - 4.4=100 Peak 1723 from cnoeabs.peaks (2.82, 6.22, 118.89 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.97: * HB3 TYR 33 + QE TYR 33 OK 97 97 - 100 - 4.4=100 Peak 1726 from cnoeabs.peaks (6.22, 6.22, 118.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE TYR 33 + QE TYR 33 OK 97 97 - 100 Peak 1727 from cnoeabs.peaks (5.84, 6.22, 118.89 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.97: * QD TYR 33 + QE TYR 33 OK 97 97 - 100 - 2.2=100 Peak 1728 from cnoeabs.peaks (7.53, 5.84, 132.43 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 33 + QD TYR 33 OK 100 100 - 100 - 4.5=100 Peak 1729 from cnoeabs.peaks (4.20, 5.84, 132.43 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 33 + QD TYR 33 OK 100 100 - 100 - 3.7=100 Peak 1730 from cnoeabs.peaks (3.09, 5.84, 132.43 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.5=100 Peak 1731 from cnoeabs.peaks (2.82, 5.84, 132.43 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.5=100 Peak 1734 from cnoeabs.peaks (6.22, 5.84, 132.43 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.2=100 Peak 1735 from cnoeabs.peaks (5.84, 5.84, 132.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 33 + QD TYR 33 OK 100 100 - 100 Peak 1736 from cnoeabs.peaks (7.99, 4.33, 61.55 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 34 + HA PHE 34 OK 100 100 - 100 - 3.0=100 Peak 1737 from cnoeabs.peaks (4.33, 4.33, 61.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + HA PHE 34 OK 100 100 - 100 Peak 1738 from cnoeabs.peaks (3.41, 4.33, 61.55 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + HA PHE 34 OK 100 100 - 100 - 3.0=100 Peak 1739 from cnoeabs.peaks (2.77, 4.33, 61.55 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 34 + HA PHE 34 OK 100 100 - 100 - 3.0=100 Peak 1743 from cnoeabs.peaks (7.43, 4.33, 61.55 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.85: * QD PHE 34 + HA PHE 34 OK 85 100 - 85 - 3.7=67, 723/3.0=20...(14) H ALA 76 - HA PHE 34 poor 10 92 - 11 - 723/3.0=3, 6371/3.0=2...(4) H THR 46 - HA PHE 34 lone 6 99 - 6 - 723/3.0=3, 4657/5184=1 Peak 1744 from cnoeabs.peaks (7.99, 3.41, 39.73 ppm; 3.91 A): 1 out of 5 assignments used, quality = 0.98: * H PHE 34 + HB2 PHE 34 OK 98 100 - 98 - 4.1=89, 719/1.8=30...(11) H VAL 30 - HB2 PHE 34 OK 43 92 - 47 - 1752/1.8=11, ~5060=10...(11) H GLY 22 - HB2 PHE 34 OK 14 97 - 15 - 4847/4.2=3, 1752/1.8=3...(4) H LYS 63 - HB2 PHE 34 OK 11 97 - 11 - 124/4.2=4, 1752/1.8=2 H LYS 86 - HB2 PHE 34 lone 6 73 - 8 - 3.6/4433=1, 6658/6839=1...(4) Peak 1745 from cnoeabs.peaks (4.33, 3.41, 39.73 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + HB2 PHE 34 OK 100 100 - 100 - 3.0=100 Peak 1746 from cnoeabs.peaks (3.41, 3.41, 39.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + HB2 PHE 34 OK 100 100 - 100 Peak 1747 from cnoeabs.peaks (2.77, 3.41, 39.73 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 34 + HB2 PHE 34 OK 100 100 - 100 - 1.8=100 Peak 1752 from cnoeabs.peaks (7.99, 2.77, 39.73 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.96: * H PHE 34 + HB3 PHE 34 OK 93 100 - 93 - 4.1=72, 723/2.4=27...(13) H VAL 30 + HB3 PHE 34 OK 44 92 - 48 - 4677/2.4=9, ~5060=9...(14) H GLY 22 - HB3 PHE 34 OK 13 97 - 13 - 4847/4.2=3, 1744/1.8=3...(5) H LYS 63 - HB3 PHE 34 poor 10 97 - 10 - 124/4.2=3, 1744/1.8=2 H LYS 86 - HB3 PHE 34 lone 5 73 - 6 - 3.6/4435=1, 1744/1.8=1 Peak 1753 from cnoeabs.peaks (4.33, 2.77, 39.73 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + HB3 PHE 34 OK 100 100 - 100 - 3.0=100 Peak 1754 from cnoeabs.peaks (3.41, 2.77, 39.73 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + HB3 PHE 34 OK 100 100 - 100 - 1.8=100 Peak 1755 from cnoeabs.peaks (2.77, 2.77, 39.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 34 + HB3 PHE 34 OK 100 100 - 100 Peak 1759 from cnoeabs.peaks (7.43, 2.77, 39.73 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + HB3 PHE 34 OK 100 100 - 100 - 2.4=100 Peak 1770 from cnoeabs.peaks (3.41, 6.88, 130.24 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + QE PHE 34 OK 100 100 - 100 - 4.4=100 Peak 1774 from cnoeabs.peaks (6.88, 6.88, 130.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 34 + QE PHE 34 OK 100 100 - 100 Peak 1775 from cnoeabs.peaks (7.43, 6.88, 130.24 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + QE PHE 34 OK 100 100 - 100 - 2.2=100 Peak 1776 from cnoeabs.peaks (7.99, 7.43, 131.99 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 34 + QD PHE 34 OK 100 100 - 100 - 4.5=100 Peak 1777 from cnoeabs.peaks (4.33, 7.43, 131.99 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 34 + QD PHE 34 OK 100 100 - 100 - 3.7=100 Peak 1778 from cnoeabs.peaks (3.41, 7.43, 131.99 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + QD PHE 34 OK 100 100 - 100 - 2.4=100 Peak 1779 from cnoeabs.peaks (2.77, 7.43, 131.99 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 34 + QD PHE 34 OK 100 100 - 100 - 2.4=100 Peak 1782 from cnoeabs.peaks (6.88, 7.43, 131.99 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 34 + QD PHE 34 OK 100 100 - 100 - 2.2=100 Peak 1783 from cnoeabs.peaks (7.43, 7.43, 131.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + QD PHE 34 OK 100 100 - 100 Peak 1784 from cnoeabs.peaks (8.35, 4.91, 57.98 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 35 + HA LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1785 from cnoeabs.peaks (4.91, 4.91, 57.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HA LYS 35 OK 100 100 - 100 Peak 1786 from cnoeabs.peaks (2.05, 4.91, 57.98 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 35 + HA LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1787 from cnoeabs.peaks (2.16, 4.91, 57.98 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HA LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1788 from cnoeabs.peaks (1.76, 4.91, 57.98 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 35 + HA LYS 35 OK 100 100 - 100 - 3.9=100 Peak 1789 from cnoeabs.peaks (1.27, 4.91, 57.98 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HA LYS 35 OK 100 100 - 100 - 3.9=100 Peak 1790 from cnoeabs.peaks (1.74, 4.91, 57.98 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.83: HG2 LYS 35 + HA LYS 35 OK 83 83 - 100 - 3.9=100 Reference assignment not found: HD2 LYS 35 - HA LYS 35 Peak 1791 from cnoeabs.peaks (1.69, 4.91, 57.98 ppm; 4.24 A): 2 out of 18 assignments used, quality = 0.99: * HD3 LYS 35 + HA LYS 35 OK 93 100 - 93 - 5.1=58, 1846/3.0=35...(25) HB ILE 40 + HA LYS 35 OK 84 100 - 84 - 3.2/5430=29, 3.0/5425=20...(16) HD3 LYS 44 - HA LYS 35 OK 24 100 - 24 - 1801/3.0=3, ~1803=2...(12) HD2 LYS 44 - HA LYS 35 OK 24 100 - 24 - 1801/3.0=3, ~1803=2...(12) HD2 LYS 61 - HA LYS 35 OK 22 100 - 22 - 1801/3.0=3, ~1801=2...(13) HD3 LYS 61 - HA LYS 35 OK 22 100 - 22 - 1801/3.0=3, ~1801=2...(13) HG12 ILE 39 - HA LYS 35 OK 17 99 - 18 - 3.2/5375=10, 2041/5430=2...(5) HD3 LYS 94 - HA LYS 35 OK 14 99 - 14 - 731/3.0=2, ~3884=2...(6) HD2 LYS 94 - HA LYS 35 OK 14 99 - 14 - 731/3.0=2, ~3884=2...(6) QB ALA 79 - HA LYS 35 lone 9 89 - 10 - 731/3.0=2, 5266/5293=2...(4) HG12 ILE 27 - HA LYS 35 lone 5 65 - 8 - 2.1/4954=2, 2041/5430=1 HD3 LYS 63 - HA LYS 35 lone 4 100 - 4 - 731/3.0=1 HB3 LYS 61 - HA LYS 35 lone 3 65 - 5 - HD3 LYS 45 - HA LYS 35 lone 3 90 - 3 - HD2 LYS 45 - HA LYS 35 lone 3 87 - 3 - HG3 ARG 57 - HA LYS 35 lone 2 100 - 2 - HG2 ARG 57 - HA LYS 35 lone 2 100 - 2 - HD2 LYS 77 - HA LYS 35 lone 2 89 - 2 - Peak 1794 from cnoeabs.peaks (8.35, 2.05, 31.03 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.96: * H LYS 35 + HB2 LYS 35 OK 96 100 - 96 - 3.8=83, 727/1.8=32...(13) H LYS 94 - HB2 LYS 35 OK 28 98 - 28 - 1804/1.8=6, 1814/3.0=5...(7) H GLY 64 - HB2 LYS 35 OK 20 92 - 22 - 1804/1.8=4, 1814/3.0=4...(8) H ASN 52 - HB2 LYS 35 OK 12 83 - 15 - 1804/1.8=3, 1824/3.0=2...(7) Peak 1795 from cnoeabs.peaks (4.91, 2.05, 31.03 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HB2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1796 from cnoeabs.peaks (2.05, 2.05, 31.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 35 + HB2 LYS 35 OK 100 100 - 100 Peak 1797 from cnoeabs.peaks (2.16, 2.05, 31.03 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HB2 LYS 35 OK 100 100 - 100 - 1.8=100 Peak 1798 from cnoeabs.peaks (1.76, 2.05, 31.03 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 35 + HB2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1799 from cnoeabs.peaks (1.27, 2.05, 31.03 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HB2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1800 from cnoeabs.peaks (1.74, 2.05, 31.03 ppm; 3.37 A): 1 out of 1 assignment used, quality = 0.83: HG2 LYS 35 + HB2 LYS 35 OK 83 83 - 100 - 3.0=100 Reference assignment not found: HD2 LYS 35 - HB2 LYS 35 Peak 1801 from cnoeabs.peaks (1.69, 2.05, 31.03 ppm; 3.50 A): 2 out of 18 assignments used, quality = 0.99: * HD3 LYS 35 + HB2 LYS 35 OK 98 100 - 98 - 3.6=95, 1844/3.8=8...(22) HB ILE 40 + HB2 LYS 35 OK 61 100 - 61 - 3.2/5444=14, 3.0/7075=12...(14) HD3 LYS 44 - HB2 LYS 35 OK 22 100 - 22 - 3.0/1802=3, 3.0/1802=3...(13) HD2 LYS 44 - HB2 LYS 35 OK 22 100 - 22 - 3.0/1803=3, 3.0/1802=3...(13) HD2 LYS 61 - HB2 LYS 35 OK 19 100 - 19 - 2.9/1803=2, 2.9/1803=2...(7) HD3 LYS 61 - HB2 LYS 35 OK 19 100 - 19 - 2.9/1803=2, 2.9/1803=2...(7) HG12 ILE 39 - HB2 LYS 35 lone 7 99 - 7 - ~5375=3, 1791/3.0=1 HD3 LYS 94 - HB2 LYS 35 lone 5 99 - 5 - 6.1/1794=2, 731/3.8=1 HD2 LYS 94 - HB2 LYS 35 lone 5 99 - 5 - 6.1/1794=2, 731/3.8=1 QB ALA 79 - HB2 LYS 35 lone 4 89 - 4 - 731/3.8=1 HB3 LYS 61 - HB2 LYS 35 lone 4 65 - 6 - 5.0/1802=1, 5.0/1803=1 HD3 LYS 63 - HB2 LYS 35 lone 3 100 - 3 - 5.9/5243=1 HG12 ILE 27 - HB2 LYS 35 lone 3 65 - 5 - 3.2/4970=1, ~4954=1 HD3 LYS 45 - HB2 LYS 35 lone 2 90 - 2 - HD2 LYS 45 - HB2 LYS 35 lone 2 87 - 2 - HG3 ARG 57 - HB2 LYS 35 lone 1 100 - 1 - HG2 ARG 57 - HB2 LYS 35 lone 1 100 - 1 - HD2 LYS 77 - HB2 LYS 35 lone 1 89 - 1 - Peak 1802 from cnoeabs.peaks (3.02, 2.05, 31.03 ppm; 4.47 A): 4 out of 9 assignments used, quality = 1.00: HE3 LYS 35 + HB2 LYS 35 OK 97 100 - 97 - 4.9=77, 3.0/1846=37...(24) * HE2 LYS 35 + HB2 LYS 35 OK 97 100 - 97 - 4.9=77, 3.0/1846=37...(24) HE3 LYS 44 + HB2 LYS 35 OK 53 100 - 53 - 1856=5, 1.8/1866=5...(24) HE2 LYS 44 + HB2 LYS 35 OK 53 100 - 53 - 1866=5, 1.8/1866=5...(24) HE2 LYS 61 - HB2 LYS 35 OK 42 96 - 44 - 1866=4, 1812/1.8=4...(21) HE3 LYS 61 - HB2 LYS 35 OK 40 89 - 45 - 1.8/1856=4, 1866=4...(21) HB2 SER 75 - HB2 LYS 35 lone 3 89 - 3 - 732/3.8=1 HE2 LYS 45 - HB2 LYS 35 lone 3 68 - 4 - HE3 LYS 45 - HB2 LYS 35 lone 3 68 - 4 - Peak 1803 from cnoeabs.peaks (3.02, 2.05, 31.03 ppm; 4.47 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 35 + HB2 LYS 35 OK 97 100 - 97 - 4.9=77, 3.0/1846=37...(24) HE2 LYS 35 + HB2 LYS 35 OK 97 100 - 97 - 4.9=77, 3.0/1846=37...(24) HE3 LYS 44 + HB2 LYS 35 OK 53 100 - 53 - 1856=5, 1.8/1866=5...(24) HE2 LYS 44 + HB2 LYS 35 OK 53 100 - 53 - 1866=5, 1.8/1866=5...(24) HE2 LYS 61 - HB2 LYS 35 OK 42 96 - 44 - 1866=4, 1812/1.8=4...(21) HE3 LYS 61 - HB2 LYS 35 OK 40 89 - 45 - 1.8/1856=4, 1866=4...(21) HB2 SER 75 - HB2 LYS 35 lone 3 89 - 3 - 732/3.8=1 HE2 LYS 45 - HB2 LYS 35 lone 3 68 - 4 - HE3 LYS 45 - HB2 LYS 35 lone 3 68 - 4 - Peak 1804 from cnoeabs.peaks (8.35, 2.16, 31.03 ppm; 3.68 A): 1 out of 8 assignments used, quality = 0.99: * H LYS 35 + HB3 LYS 35 OK 99 100 - 99 - 3.8=95, 726/1.8=38...(11) H LYS 94 - HB3 LYS 35 OK 29 98 - 30 - 1794/1.8=7, 1814/3.0=5...(7) H GLY 64 - HB3 LYS 35 OK 21 92 - 22 - 1794/1.8=5, 1814/3.0=4...(7) H ASN 52 - HB3 LYS 35 OK 13 83 - 15 - 1794/1.8=3, 1824/3.0=2...(7) H LYS 94 - HB3 PRO 92 poor 7 59 - 13 - 430/4.1=8, 4.4/6833=2 H LYS 35 - HB3 PRO 92 lone 4 63 - 7 - 727=2, 727/2.3=1, 726/2.3=1 H GLY 64 - HB3 PRO 92 lone 1 53 - 3 - H ASN 52 - HB3 PRO 92 lone 1 46 - 2 - Peak 1805 from cnoeabs.peaks (4.91, 2.16, 31.03 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HB3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1806 from cnoeabs.peaks (2.05, 2.16, 31.03 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 35 + HB3 LYS 35 OK 100 100 - 100 - 1.8=100 HG2 PRO 92 - HB3 PRO 92 OK 39 39 - 100 - 2.3=100 Peak 1807 from cnoeabs.peaks (2.16, 2.16, 31.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 35 + HB3 LYS 35 OK 100 100 - 100 HB3 PRO 92 + HB3 PRO 92 OK 59 59 - 100 Peak 1808 from cnoeabs.peaks (1.76, 2.16, 31.03 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 35 + HB3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1809 from cnoeabs.peaks (1.27, 2.16, 31.03 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HB3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1810 from cnoeabs.peaks (1.74, 2.16, 31.03 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.83: HG2 LYS 35 + HB3 LYS 35 OK 83 83 - 100 - 3.0=100 Reference assignment not found: HD2 LYS 35 - HB3 LYS 35 Peak 1811 from cnoeabs.peaks (1.69, 2.16, 31.03 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 35 + HB3 LYS 35 OK 100 100 - 100 - 3.6=100 Peak 1812 from cnoeabs.peaks (3.02, 2.16, 31.03 ppm; 4.73 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 35 + HB3 LYS 35 OK 99 100 - 99 - 4.9=91, ~1846=27...(27) * HE2 LYS 35 + HB3 LYS 35 OK 99 100 - 99 - 4.9=91, ~1846=27...(27) HE3 LYS 44 + HB3 LYS 35 OK 55 100 - 55 - 1802/1.8=6, 1867=5...(23) HE2 LYS 44 + HB3 LYS 35 OK 55 100 - 55 - 1802/1.8=6, 1867=5...(23) HE2 LYS 61 - HB3 LYS 35 OK 43 96 - 45 - 1802/1.8=5, 1857=4...(21) HE3 LYS 61 - HB3 LYS 35 OK 41 89 - 46 - 1803/1.8=4, 1867=4...(22) HE2 LYS 35 - HB3 PRO 92 lone 3 63 - 5 - HE3 LYS 35 - HB3 PRO 92 lone 3 63 - 5 - HB2 SER 75 - HB3 LYS 35 lone 3 89 - 4 - 732/3.8=1 HE3 LYS 45 - HB3 LYS 35 lone 3 68 - 4 - HE2 LYS 45 - HB3 LYS 35 lone 3 68 - 4 - HE3 LYS 44 - HB3 PRO 92 lone 2 63 - 3 - HE2 LYS 44 - HB3 PRO 92 lone 2 63 - 3 - HE2 LYS 61 - HB3 PRO 92 lone 2 56 - 3 - HE3 LYS 61 - HB3 PRO 92 lone 2 50 - 3 - HB2 SER 75 - HB3 PRO 92 lone 1 50 - 2 - HE2 LYS 45 - HB3 PRO 92 lone 1 36 - 2 - HE3 LYS 45 - HB3 PRO 92 lone 1 36 - 2 - Peak 1813 from cnoeabs.peaks (3.02, 2.16, 31.03 ppm; 4.73 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 35 + HB3 LYS 35 OK 99 100 - 99 - 4.9=91, ~1846=27...(27) HE2 LYS 35 + HB3 LYS 35 OK 99 100 - 99 - 4.9=91, ~1846=27...(27) HE3 LYS 44 + HB3 LYS 35 OK 55 100 - 55 - 1802/1.8=6, 1867=5...(23) HE2 LYS 44 + HB3 LYS 35 OK 55 100 - 55 - 1802/1.8=6, 1867=5...(23) HE2 LYS 61 - HB3 LYS 35 OK 43 96 - 45 - 1802/1.8=5, 1857=4...(21) HE3 LYS 61 - HB3 LYS 35 OK 41 89 - 46 - 1803/1.8=4, 1867=4...(22) HE2 LYS 35 - HB3 PRO 92 lone 3 63 - 5 - HE3 LYS 35 - HB3 PRO 92 lone 3 63 - 5 - HB2 SER 75 - HB3 LYS 35 lone 3 89 - 4 - 732/3.8=1 HE3 LYS 45 - HB3 LYS 35 lone 3 68 - 4 - HE2 LYS 45 - HB3 LYS 35 lone 3 68 - 4 - HE3 LYS 44 - HB3 PRO 92 lone 2 63 - 3 - HE2 LYS 44 - HB3 PRO 92 lone 2 63 - 3 - HE2 LYS 61 - HB3 PRO 92 lone 2 56 - 3 - HE3 LYS 61 - HB3 PRO 92 lone 2 50 - 3 - HB2 SER 75 - HB3 PRO 92 lone 1 50 - 2 - HE2 LYS 45 - HB3 PRO 92 lone 1 36 - 2 - HE3 LYS 45 - HB3 PRO 92 lone 1 36 - 2 - Peak 1814 from cnoeabs.peaks (8.35, 1.76, 23.83 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.94: * H LYS 35 + HG2 LYS 35 OK 91 100 - 91 - 4.8=50, 726/3.0=30...(14) H LYS 94 + HG2 LYS 35 OK 30 98 - 31 - 1824/1.8=7, 1794/3.0=6...(8) H GLY 64 - HG2 LYS 35 OK 22 92 - 24 - 1824/1.8=5, 1794/3.0=4...(6) H ASN 52 - HG2 LYS 35 OK 14 83 - 16 - 1824/1.8=3, 1794/3.0=3...(6) Peak 1815 from cnoeabs.peaks (4.91, 1.76, 23.83 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HG2 LYS 35 OK 100 100 - 100 - 3.9=100 Peak 1816 from cnoeabs.peaks (2.05, 1.76, 23.83 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 35 + HG2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1817 from cnoeabs.peaks (2.16, 1.76, 23.83 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HG2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1818 from cnoeabs.peaks (1.76, 1.76, 23.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 35 + HG2 LYS 35 OK 100 100 - 100 Peak 1819 from cnoeabs.peaks (1.27, 1.76, 23.83 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HG2 LYS 35 OK 100 100 - 100 - 1.8=100 Peak 1820 from cnoeabs.peaks (1.74, 1.76, 23.83 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: HG2 LYS 35 + HG2 LYS 35 OK 83 83 - 100 Reference assignment not found: HD2 LYS 35 - HG2 LYS 35 Peak 1821 from cnoeabs.peaks (1.69, 1.76, 23.83 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 35 + HG2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1822 from cnoeabs.peaks (3.02, 1.76, 23.83 ppm; 3.60 A): 2 out of 9 assignments used, quality = 1.00: HE3 LYS 35 + HG2 LYS 35 OK 95 100 - 95 - 3.9=77, 1869/1.8=11...(36) * HE2 LYS 35 + HG2 LYS 35 OK 95 100 - 95 - 3.9=77, 1869/1.8=11...(36) HE3 LYS 44 - HG2 LYS 35 OK 38 100 - 39 - 1833/1.8=4, ~1833=3...(19) HE2 LYS 44 - HG2 LYS 35 OK 38 100 - 39 - 1833/1.8=4, ~1833=3...(19) HE2 LYS 61 - HG2 LYS 35 OK 29 96 - 30 - 1833/1.8=3, 1803/3.0=2...(17) HE3 LYS 61 - HG2 LYS 35 OK 27 89 - 31 - 1832/1.8=3, ~1833=2...(17) HB2 SER 75 - HG2 LYS 35 lone 2 89 - 2 - HE2 LYS 45 - HG2 LYS 35 lone 1 68 - 2 - HE3 LYS 45 - HG2 LYS 35 lone 1 68 - 2 - Peak 1823 from cnoeabs.peaks (3.02, 1.76, 23.83 ppm; 3.60 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 35 + HG2 LYS 35 OK 95 100 - 95 - 3.9=77, 1869/1.8=11...(36) HE2 LYS 35 + HG2 LYS 35 OK 95 100 - 95 - 3.9=77, 1869/1.8=11...(36) HE3 LYS 44 - HG2 LYS 35 OK 38 100 - 39 - 1833/1.8=4, ~1833=3...(19) HE2 LYS 44 - HG2 LYS 35 OK 38 100 - 39 - 1833/1.8=4, ~1833=3...(19) HE2 LYS 61 - HG2 LYS 35 OK 29 96 - 30 - 1833/1.8=3, 1803/3.0=2...(17) HE3 LYS 61 - HG2 LYS 35 OK 27 89 - 31 - 1832/1.8=3, ~1833=2...(17) HB2 SER 75 - HG2 LYS 35 lone 2 89 - 2 - HE2 LYS 45 - HG2 LYS 35 lone 1 68 - 2 - HE3 LYS 45 - HG2 LYS 35 lone 1 68 - 2 - Peak 1824 from cnoeabs.peaks (8.35, 1.27, 23.83 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 35 + HG3 LYS 35 OK 92 100 - 92 - 4.8=55, 726/3.0=32...(14) H LYS 94 + HG3 LYS 35 OK 32 98 - 33 - 1814/1.8=8, 1794/3.0=6...(8) H GLY 64 - HG3 LYS 35 OK 23 92 - 25 - 1814/1.8=5, 1794/3.0=4...(6) H ASN 52 - HG3 LYS 35 OK 15 83 - 18 - 1814/1.8=3, 1794/3.0=3...(6) Peak 1825 from cnoeabs.peaks (4.91, 1.27, 23.83 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HG3 LYS 35 OK 100 100 - 100 - 3.9=100 Peak 1826 from cnoeabs.peaks (2.05, 1.27, 23.83 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 35 + HG3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1827 from cnoeabs.peaks (2.16, 1.27, 23.83 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HG3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1828 from cnoeabs.peaks (1.76, 1.27, 23.83 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 35 + HG3 LYS 35 OK 100 100 - 100 - 1.8=100 Peak 1829 from cnoeabs.peaks (1.27, 1.27, 23.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HG3 LYS 35 OK 100 100 - 100 Peak 1830 from cnoeabs.peaks (1.74, 1.27, 23.83 ppm; 2.64 A): 1 out of 1 assignment used, quality = 0.83: HG2 LYS 35 + HG3 LYS 35 OK 83 83 - 100 - 1.8=100 Reference assignment not found: HD2 LYS 35 - HG3 LYS 35 Peak 1831 from cnoeabs.peaks (1.69, 1.27, 23.83 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 35 + HG3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1832 from cnoeabs.peaks (3.02, 1.27, 23.83 ppm; 3.48 A): 2 out of 9 assignments used, quality = 0.99: HE3 LYS 35 + HG3 LYS 35 OK 92 100 - 92 - 3.9=69, 1.8/1859=11...(31) * HE2 LYS 35 + HG3 LYS 35 OK 92 100 - 92 - 3.9=69, 1.8/1859=11...(31) HE3 LYS 44 - HG3 LYS 35 OK 38 100 - 38 - 1859=5, 1822/1.8=4...(20) HE2 LYS 44 - HG3 LYS 35 OK 38 100 - 38 - 1859=5, 1822/1.8=4...(20) HE2 LYS 61 - HG3 LYS 35 OK 28 96 - 30 - 1869=4, 1822/1.8=3...(17) HE3 LYS 61 - HG3 LYS 35 OK 26 89 - 30 - 1859=3, 1.8/1869=3...(17) HB2 SER 75 - HG3 LYS 35 lone 1 89 - 2 - HE2 LYS 45 - HG3 LYS 35 lone 1 68 - 2 - HE3 LYS 45 - HG3 LYS 35 lone 1 68 - 2 - Peak 1833 from cnoeabs.peaks (3.02, 1.27, 23.83 ppm; 3.48 A): 2 out of 9 assignments used, quality = 0.99: * HE3 LYS 35 + HG3 LYS 35 OK 92 100 - 92 - 3.9=69, 1.8/1859=11...(31) HE2 LYS 35 + HG3 LYS 35 OK 92 100 - 92 - 3.9=69, 1.8/1859=11...(31) HE3 LYS 44 - HG3 LYS 35 OK 38 100 - 38 - 1859=5, 1822/1.8=4...(20) HE2 LYS 44 - HG3 LYS 35 OK 38 100 - 38 - 1859=5, 1822/1.8=4...(20) HE2 LYS 61 - HG3 LYS 35 OK 28 96 - 30 - 1869=4, 1822/1.8=3...(17) HE3 LYS 61 - HG3 LYS 35 OK 26 89 - 30 - 1859=3, 1.8/1869=3...(17) HB2 SER 75 - HG3 LYS 35 lone 1 89 - 2 - HE2 LYS 45 - HG3 LYS 35 lone 1 68 - 2 - HE3 LYS 45 - HG3 LYS 35 lone 1 68 - 2 - Peak 1834 from cnoeabs.peaks (8.35, 1.74, 29.74 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.97: * H LYS 35 + HD2 LYS 35 OK 95 100 - 95 - 6.3=43, 726/3.6=36...(15) H LYS 94 + HD2 LYS 35 OK 39 98 - 40 - 1844/1.8=9, 1814/3.0=8...(10) H GLY 64 - HD2 LYS 35 OK 28 92 - 30 - 1844/1.8=6, 1824/3.0=6...(8) H ASN 52 - HD2 LYS 35 OK 19 83 - 22 - 1844/1.8=4, 1824/3.0=4...(8) Peak 1835 from cnoeabs.peaks (4.91, 1.74, 29.74 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 5.1=100 Peak 1836 from cnoeabs.peaks (2.05, 1.74, 29.74 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.6=100 Peak 1837 from cnoeabs.peaks (2.16, 1.74, 29.74 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.6=100 Peak 1838 from cnoeabs.peaks (1.76, 1.74, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: HD2 LYS 35 + HD2 LYS 35 OK 83 83 - 100 Reference assignment not found: HG2 LYS 35 - HD2 LYS 35 Peak 1839 from cnoeabs.peaks (1.27, 1.74, 29.74 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1840 from cnoeabs.peaks (1.74, 1.74, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 35 + HD2 LYS 35 OK 100 100 - 100 Peak 1841 from cnoeabs.peaks (1.69, 1.74, 29.74 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 1.8=100 Peak 1842 from cnoeabs.peaks (3.02, 1.74, 29.74 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.0=100 * HE2 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1843 from cnoeabs.peaks (3.02, 1.74, 29.74 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.0=100 HE2 LYS 35 + HD2 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1844 from cnoeabs.peaks (8.35, 1.69, 29.74 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.97: * H LYS 35 + HD3 LYS 35 OK 95 100 - 95 - 6.3=45, 726/3.6=36...(15) H LYS 94 + HD3 LYS 35 OK 43 98 - 44 - 1834/1.8=9, 1814/3.0=8...(10) H GLY 64 - HD3 LYS 35 OK 30 92 - 32 - 1834/1.8=6, 1824/3.0=6...(8) H ASN 52 - HD3 LYS 35 OK 19 83 - 23 - 1834/1.8=4, 1824/3.0=4...(8) Peak 1845 from cnoeabs.peaks (4.91, 1.69, 29.74 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 5.1=100 Peak 1846 from cnoeabs.peaks (2.05, 1.69, 29.74 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.91: * HB2 LYS 35 + HD3 LYS 35 OK 91 100 - 91 - 3.6=83, 3.8/1844=7...(22) HB3 GLU 23 - HD3 LYS 35 lone 3 97 - 3 - HB2 LYS 86 - HD3 LYS 35 lone 2 85 - 2 - HG2 PRO 92 - HD3 LYS 35 lone 1 73 - 2 - HB2 GLU 28 - HD3 LYS 35 lone 1 65 - 2 - QE MET 50 - HD3 LYS 35 lone 1 87 - 1 - HB3 MET 50 - HD3 LYS 35 lone 1 78 - 1 - Peak 1847 from cnoeabs.peaks (2.16, 1.69, 29.74 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.6=100 Peak 1848 from cnoeabs.peaks (1.76, 1.69, 29.74 ppm; 2.49 A): 1 out of 1 assignment used, quality = 0.83: HD2 LYS 35 + HD3 LYS 35 OK 83 83 - 100 - 1.8=100 Reference assignment not found: HG2 LYS 35 - HD3 LYS 35 Peak 1849 from cnoeabs.peaks (1.27, 1.69, 29.74 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1850 from cnoeabs.peaks (1.74, 1.69, 29.74 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 1.8=100 Peak 1851 from cnoeabs.peaks (1.69, 1.69, 29.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 35 + HD3 LYS 35 OK 100 100 - 100 Peak 1852 from cnoeabs.peaks (3.02, 1.69, 29.74 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.0=100 * HE2 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1853 from cnoeabs.peaks (3.02, 1.69, 29.74 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.0=100 HE2 LYS 35 + HD3 LYS 35 OK 100 100 - 100 - 3.0=100 Peak 1854 from cnoeabs.peaks (8.35, 3.02, 42.02 ppm; 4.55 A): 2 out of 24 assignments used, quality = 0.98: H LYS 35 + HE3 LYS 35 OK 85 100 - 85 - 7.2=25, 729/3.9=25...(10) * H LYS 35 + HE2 LYS 35 OK 85 100 - 85 - 7.2=25, 729/3.9=25...(10) H LYS 94 - HE3 LYS 35 OK 32 98 - 32 - 1844/3.0=7, 1834/3.0=7...(6) H LYS 94 - HE2 LYS 35 OK 32 98 - 32 - 1844/3.0=7, 1834/3.0=7...(6) H LYS 35 - HE3 LYS 44 OK 23 95 - 24 - 3.8/1803=4, 732=4...(9) H LYS 35 - HE2 LYS 44 OK 23 94 - 24 - 3.8/1803=4, 732=4...(9) H GLY 64 - HE3 LYS 35 OK 22 92 - 24 - 1844/3.0=5, 1834/3.0=5...(6) H GLY 64 - HE2 LYS 35 OK 22 92 - 24 - 1844/3.0=5, 1834/3.0=5...(6) H LYS 35 - HE2 LYS 61 OK 20 91 - 22 - 732=3, 3.8/1803=3...(9) H LYS 94 - HE2 LYS 61 OK 17 87 - 20 - 1036/2.9=2, 1037/2.9=2...(10) H LYS 35 - HE3 LYS 61 OK 17 80 - 21 - 3.8/1802=3, 732=3...(9) H ASN 52 - HE2 LYS 35 OK 15 83 - 17 - 1834/3.0=3, 1844/3.0=3...(7) H ASN 52 - HE3 LYS 35 OK 15 83 - 17 - 1834/3.0=3, 1844/3.0=3...(7) H LYS 94 - HE3 LYS 61 OK 13 76 - 17 - 1037/2.9=2, 1036/2.9=2...(8) H LYS 94 - HE3 LYS 44 lone 9 91 - 10 - 1036/3.0=1, 1037/3.0=1 H LYS 94 - HE2 LYS 44 lone 9 90 - 10 - 1037/3.0=1, 1037/3.0=1 H GLY 64 - HE2 LYS 61 poor 8 79 - 11 - 5983/6.6=2, 293/3.9=2, 293/3.9=2 H GLY 64 - HE3 LYS 61 lone 7 68 - 10 - 5983/6.6=2, 293/3.9=2, 292/3.9=2 H GLY 64 - HE3 LYS 44 lone 4 83 - 5 - H GLY 64 - HE2 LYS 44 lone 4 83 - 5 - H ASN 52 - HE2 LYS 61 lone 2 70 - 3 - H ASN 52 - HE3 LYS 44 lone 2 74 - 3 - H ASN 52 - HE2 LYS 44 lone 2 74 - 3 - H ASN 52 - HE3 LYS 61 lone 2 60 - 3 - Peak 1856 from cnoeabs.peaks (2.05, 3.02, 42.02 ppm; 3.87 A): 2 out of 42 assignments used, quality = 0.99: * HB2 LYS 35 + HE2 LYS 35 OK 90 100 - 90 - 4.9=50, 1846/3.0=30...(24) HB2 LYS 35 + HE3 LYS 35 OK 90 100 - 90 - 4.9=50, 1846/3.0=30...(24) HB2 LYS 35 - HE3 LYS 44 OK 41 95 - 44 - 1803=4, 1802/1.8=4...(21) HB2 LYS 35 - HE2 LYS 44 OK 41 94 - 44 - 1803=4, 1802/1.8=4...(21) HB2 LYS 35 - HE2 LYS 61 OK 33 91 - 36 - 1803=4, 1802/1.8=3...(18) HB2 LYS 35 - HE3 LYS 61 OK 29 80 - 37 - 1803=3, 1803/1.8=3...(18) QE MET 50 - HE3 LYS 61 lone 5 63 - 7 - 5694/1.8=3, 5672/3.9=2 QE MET 50 - HE2 LYS 61 lone 4 74 - 6 - 5672/3.9=2, 5672/3.9=2 HB2 GLU 28 - HE3 LYS 44 lone 3 57 - 5 - 4995/3.9=1 HB2 GLU 28 - HE2 LYS 44 lone 3 57 - 5 - 4995/3.9=1 HB3 GLU 23 - HE3 LYS 35 lone 3 97 - 3 - 1846/3.0=1 HB3 GLU 23 - HE2 LYS 35 lone 3 97 - 3 - 1846/3.0=1 HB2 LYS 86 - HE2 LYS 35 lone 3 85 - 3 - HB2 LYS 86 - HE3 LYS 35 lone 3 85 - 3 - HB2 LYS 86 - HE3 LYS 44 lone 2 76 - 3 - HB2 LYS 86 - HE2 LYS 44 lone 2 76 - 3 - HG2 PRO 92 - HE3 LYS 35 lone 2 73 - 3 - HG2 PRO 92 - HE2 LYS 35 lone 2 73 - 3 - HB2 LYS 86 - HE2 LYS 61 lone 2 72 - 3 - HB2 LYS 86 - HE3 LYS 61 lone 2 62 - 3 - HB2 GLU 28 - HE2 LYS 35 lone 1 65 - 2 - HB2 GLU 28 - HE3 LYS 35 lone 1 65 - 2 - HB3 MET 50 - HE2 LYS 61 lone 1 66 - 2 - QE MET 50 - HE3 LYS 35 lone 1 87 - 1 - QE MET 50 - HE2 LYS 35 lone 1 87 - 1 - HG2 PRO 92 - HE3 LYS 44 lone 1 65 - 2 - HG2 PRO 92 - HE2 LYS 44 lone 1 64 - 2 - HB3 MET 50 - HE3 LYS 35 lone 1 78 - 1 - HB3 MET 50 - HE2 LYS 35 lone 1 78 - 1 - HG2 PRO 92 - HE2 LYS 61 lone 1 61 - 2 - QE MET 50 - HE3 LYS 44 lone 1 78 - 1 - QE MET 50 - HE2 LYS 44 lone 1 78 - 1 - HB3 GLU 23 - HE3 LYS 44 lone 1 90 - 1 - HB3 GLU 23 - HE2 LYS 44 lone 1 89 - 1 - HB3 GLU 23 - HE2 LYS 61 lone 1 86 - 1 - HB3 MET 50 - HE3 LYS 61 lone 1 56 - 2 - HB3 MET 50 - HE3 LYS 44 lone 1 70 - 1 - HB3 MET 50 - HE2 LYS 44 lone 1 69 - 1 - HG2 PRO 92 - HE3 LYS 61 lone 1 52 - 2 - HB2 GLU 28 - HE2 LYS 61 lone 1 54 - 1 - HB3 GLU 23 - HE3 LYS 61 lone 1 75 - 1 - HB2 GLU 28 - HE3 LYS 61 lone 1 46 - 1 - Peak 1857 from cnoeabs.peaks (2.16, 3.02, 42.02 ppm; 4.32 A): 4 out of 48 assignments used, quality = 1.00: HB3 LYS 35 + HE3 LYS 35 OK 96 100 - 96 - 4.9=69, ~1846=23...(26) * HB3 LYS 35 + HE2 LYS 35 OK 96 100 - 96 - 4.9=69, ~1846=23...(26) HB3 LYS 35 + HE3 LYS 44 OK 47 95 - 50 - 1812=5, 1.8/1803=5...(23) HB3 LYS 35 + HE2 LYS 44 OK 47 94 - 50 - 1812=5, 1.8/1803=5...(23) HB3 LYS 35 - HE2 LYS 61 OK 37 91 - 40 - 1.8/1803=4, 1812=4...(20) HB3 LYS 35 - HE3 LYS 61 OK 33 80 - 41 - 1.8/1803=4, 1813=4...(20) HB3 PRO 92 - HE2 LYS 35 lone 4 98 - 4 - HB3 PRO 92 - HE3 LYS 35 lone 4 98 - 4 - HG3 PRO 92 - HE3 LYS 35 lone 3 95 - 4 - HG3 PRO 92 - HE2 LYS 35 lone 3 95 - 4 - HB2 PRO 73 - HE3 LYS 35 lone 3 100 - 3 - HB2 PRO 73 - HE2 LYS 35 lone 3 100 - 3 - HB3 GLU 58 - HE3 LYS 61 lone 3 79 - 3 - 5900/5916=2 HB3 GLU 58 - HE2 LYS 35 lone 2 100 - 2 - HB3 GLU 58 - HE3 LYS 35 lone 2 100 - 2 - HB3 PRO 92 - HE3 LYS 44 lone 2 91 - 2 - HB3 PRO 92 - HE2 LYS 44 lone 2 90 - 2 - HB3 PRO 92 - HE2 LYS 61 lone 2 87 - 2 - HG3 PRO 92 - HE3 LYS 44 lone 2 86 - 2 - HG3 PRO 92 - HE2 LYS 44 lone 2 86 - 2 - HB3 PRO 92 - HE3 LYS 61 lone 2 76 - 2 - HG3 PRO 92 - HE2 LYS 61 lone 2 82 - 2 - HB3 GLU 58 - HE3 LYS 44 lone 2 94 - 2 - HB3 GLU 58 - HE2 LYS 44 lone 2 94 - 2 - HB3 GLU 58 - HE2 LYS 61 lone 2 90 - 2 - HG3 PRO 92 - HE3 LYS 61 lone 1 71 - 2 - HB2 PRO 73 - HE2 LYS 61 lone 1 91 - 2 - HB2 PRO 73 - HE3 LYS 44 lone 1 94 - 1 - HB2 PRO 73 - HE2 LYS 44 lone 1 94 - 1 - HB2 PHE 88 - HE3 LYS 35 lone 1 89 - 1 - HB2 PHE 88 - HE2 LYS 35 lone 1 89 - 1 - HB2 GLU 58 - HE2 LYS 35 lone 1 60 - 2 - HB2 GLU 58 - HE3 LYS 35 lone 1 60 - 2 - HB2 PRO 73 - HE3 LYS 61 lone 1 80 - 1 - HG3 GLU 65 - HE2 LYS 61 lone 1 61 - 2 - HB2 GLU 58 - HE3 LYS 61 lone 1 41 - 2 - 5901/5916=1 HG3 GLU 65 - HE3 LYS 35 lone 1 73 - 1 - HG3 GLU 65 - HE2 LYS 35 lone 1 73 - 1 - HG3 GLU 65 - HE3 LYS 44 lone 1 65 - 1 - HB2 PHE 88 - HE2 LYS 61 lone 1 76 - 1 - HG3 GLU 65 - HE2 LYS 44 lone 1 64 - 1 - HB2 PHE 88 - HE3 LYS 44 lone 1 80 - 1 - HB2 PHE 88 - HE2 LYS 44 lone 1 79 - 1 - HB2 GLU 58 - HE2 LYS 61 lone 1 49 - 2 - HB2 GLU 58 - HE3 LYS 44 lone 1 52 - 1 - HB2 GLU 58 - HE2 LYS 44 lone 1 52 - 1 - HG3 GLU 65 - HE3 LYS 61 lone 1 52 - 1 - HB2 PHE 88 - HE3 LYS 61 lone 1 65 - 1 - Peak 1858 from cnoeabs.peaks (1.76, 3.02, 42.02 ppm; 2.95 A): 4 out of 18 assignments used, quality = 1.00: HD2 LYS 35 + HE2 LYS 35 OK 81 83 - 98 - 3.0=97, 3.0/1859=6...(12) HD2 LYS 35 + HE3 LYS 35 OK 81 83 - 98 - 3.0=97, 3.0/1859=6...(12) HG2 LYS 35 + HE3 LYS 35 OK 72 100 - 72 - 3.9=42, 1.8/1869=8...(20) * HG2 LYS 35 + HE2 LYS 35 OK 72 100 - 72 - 3.9=42, 1.8/1869=8...(20) HG2 LYS 35 - HE3 LYS 44 OK 24 95 - 26 - 1823=3, 1.8/1832=3...(15) HG2 LYS 35 - HE2 LYS 44 OK 24 94 - 26 - 1823=3, 1.8/1832=3...(15) HG2 LYS 35 - HE2 LYS 61 OK 18 91 - 20 - 1823=2, 1.8/1833=2...(9) HG2 LYS 35 - HE3 LYS 61 OK 16 80 - 21 - 1823=2, 1.8/1833=2...(9) HD2 LYS 35 - HE3 LYS 44 OK 11 74 - 15 - 3.0/1832=2, 3.0/1822=2...(10) HD2 LYS 35 - HE2 LYS 44 OK 11 74 - 15 - 3.0/1832=2, 3.0/1822=2...(10) HD2 LYS 35 - HE2 LYS 61 poor 8 70 - 11 - 3.0/1833=2, 3.0/1823=2...(4) HD2 LYS 35 - HE3 LYS 61 poor 7 60 - 11 - 3.0/1833=2, 3.0/1823=2...(4) HB3 GLN 19 - HE2 LYS 35 lone 1 100 - 1 - HB3 GLN 19 - HE3 LYS 35 lone 1 100 - 1 - HB3 GLN 19 - HE3 LYS 44 lone 1 94 - 1 - HB3 GLN 19 - HE2 LYS 44 lone 1 94 - 1 - HB3 GLN 19 - HE2 LYS 61 lone 1 91 - 1 - HB3 GLN 19 - HE3 LYS 61 lone 0 80 - 0 - Peak 1859 from cnoeabs.peaks (1.27, 3.02, 42.02 ppm; 3.22 A): 2 out of 36 assignments used, quality = 0.98: HG3 LYS 35 + HE3 LYS 35 OK 85 100 - 85 - 3.9=55, 1833/1.8=9...(28) * HG3 LYS 35 + HE2 LYS 35 OK 85 100 - 85 - 3.9=55, 1833/1.8=9...(28) HG3 LYS 35 - HE3 LYS 44 OK 31 95 - 33 - 1832=5, 1833/1.8=4...(19) HG3 LYS 35 - HE2 LYS 44 OK 31 94 - 33 - 1832=5, 1833/1.8=4...(19) HG3 LYS 35 - HE2 LYS 61 OK 24 91 - 26 - 1832=4, 1.8/1823=3...(9) HG3 LYS 35 - HE3 LYS 61 OK 21 80 - 26 - 1832=3, 1832/1.8=3...(13) HG13 ILE 39 - HE2 LYS 61 lone 2 72 - 3 - 4.6/5363=1 HG3 LYS 86 - HE3 LYS 44 lone 2 80 - 2 - HG3 LYS 86 - HE2 LYS 44 lone 2 79 - 2 - HG3 LYS 86 - HE2 LYS 35 lone 2 89 - 2 - HG3 LYS 86 - HE3 LYS 35 lone 2 89 - 2 - HG3 LYS 86 - HE2 LYS 61 lone 2 76 - 2 - HG13 ILE 39 - HE2 LYS 35 lone 1 85 - 2 - HG13 ILE 39 - HE3 LYS 35 lone 1 85 - 2 - HG3 LYS 86 - HE3 LYS 61 lone 1 65 - 2 - HG13 ILE 39 - HE3 LYS 44 lone 1 76 - 1 - HG13 ILE 39 - HE2 LYS 44 lone 1 76 - 1 - QB ALA 98 - HE3 LYS 35 lone 1 100 - 1 - QB ALA 98 - HE2 LYS 35 lone 1 100 - 1 - HG12 ILE 16 - HE3 LYS 44 lone 1 67 - 1 - HG12 ILE 16 - HE2 LYS 44 lone 1 67 - 1 - HG12 ILE 16 - HE2 LYS 61 lone 1 64 - 1 - QB ALA 98 - HE3 LYS 44 lone 1 95 - 1 - QB ALA 98 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 16 - HE3 LYS 61 lone 1 54 - 1 - HG12 ILE 16 - HE3 LYS 35 lone 1 76 - 1 - HG12 ILE 16 - HE2 LYS 35 lone 1 76 - 1 - HG13 ILE 39 - HE3 LYS 61 lone 1 62 - 1 - QB ALA 98 - HE2 LYS 61 lone 1 91 - 1 - QG2 THR 26 - HE3 LYS 44 lone 1 95 - 1 - QG2 THR 26 - HE2 LYS 44 lone 1 94 - 1 - QG2 THR 26 - HE2 LYS 35 lone 1 100 - 1 - QG2 THR 26 - HE3 LYS 35 lone 1 100 - 1 - QG2 THR 26 - HE2 LYS 61 lone 0 91 - 0 - QB ALA 98 - HE3 LYS 61 lone 0 80 - 1 - QG2 THR 26 - HE3 LYS 61 lone 0 80 - 0 - Peak 1860 from cnoeabs.peaks (1.74, 3.02, 42.02 ppm; 2.71 A): 4 out of 30 assignments used, quality = 0.99: HD2 LYS 35 + HE3 LYS 35 OK 82 100 - 82 - 3.0=76, 3.0/1859=5...(12) * HD2 LYS 35 + HE2 LYS 35 OK 82 100 - 82 - 3.0=76, 3.0/1859=5...(12) HG2 LYS 35 + HE2 LYS 35 OK 51 83 - 62 - 3.9=33, 1.8/1869=7...(20) HG2 LYS 35 + HE3 LYS 35 OK 51 83 - 62 - 3.9=33, 1.8/1869=7...(20) HG2 LYS 35 - HE3 LYS 44 OK 15 74 - 21 - 1.8/1859=3, 1823=2...(9) HG2 LYS 35 - HE2 LYS 44 OK 15 74 - 21 - 1.8/1832=3, 1823=2...(9) HD2 LYS 35 - HE3 LYS 44 OK 11 95 - 12 - 3.0/1833=2, 3.0/1823=2...(6) HD2 LYS 35 - HE2 LYS 44 OK 11 94 - 12 - 3.0/1833=2, 3.0/1823=2...(6) HG2 LYS 35 - HE2 LYS 61 OK 11 70 - 16 - 1.8/1869=2, 1823=1...(6) HG2 LYS 35 - HE3 LYS 61 poor 10 60 - 16 - 1.8/1833=2, 1823=1...(8) HD2 LYS 35 - HE2 LYS 61 lone 8 91 - 9 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 35 - HE3 LYS 61 lone 7 80 - 9 - 3.0/1833=1, 3.0/1823=1 HB2 LEU 53 - HE3 LYS 35 lone 1 78 - 1 - HB2 LEU 53 - HE2 LYS 35 lone 1 78 - 1 - HB ILE 80 - HE3 LYS 35 lone 1 78 - 1 - HB ILE 80 - HE2 LYS 35 lone 1 78 - 1 - HB3 GLN 19 - HE3 LYS 35 lone 1 89 - 1 - HB3 GLN 19 - HE2 LYS 35 lone 1 89 - 1 - HB3 GLN 19 - HE3 LYS 44 lone 0 80 - 0 - HB3 GLN 19 - HE2 LYS 44 lone 0 79 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 70 - 1 - HB ILE 80 - HE2 LYS 44 lone 0 69 - 1 - HB3 GLN 19 - HE2 LYS 61 lone 0 76 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 70 - 0 - HB ILE 80 - HE2 LYS 61 lone 0 66 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 69 - 0 - HB2 LEU 53 - HE2 LYS 61 lone 0 66 - 0 - HB3 GLN 19 - HE3 LYS 61 lone 0 65 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 56 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 56 - 0 - Peak 1861 from cnoeabs.peaks (1.69, 3.02, 42.02 ppm; 2.44 A): 10 out of 108 assignments used, quality = 1.00: HD3 LYS 44 + HE3 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE3 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE2 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE2 LYS 44 OK 66 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 35 + HE3 LYS 35 OK 66 100 - 66 - 3.0=55, 1846/4.9=5...(11) * HD3 LYS 35 + HE2 LYS 35 OK 66 100 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 65 90 - 72 - 2.9=58, 1.8/2822=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 65 90 - 72 - 2.9=58, 1.8/2822=3...(8) HD2 LYS 61 + HE3 LYS 61 OK 54 79 - 68 - 2.9=58, 2812/1.8=3...(9) HD3 LYS 61 + HE3 LYS 61 OK 54 79 - 68 - 2.9=58, 2812/1.8=3...(9) HB3 LYS 61 - HE2 LYS 61 OK 20 54 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 15 46 - 33 - 5.0=11, ~2772=2...(11) HD3 LYS 44 - HE2 LYS 61 poor 10 91 - 11 - 3.0/2201=1 HD2 LYS 44 - HE2 LYS 61 poor 9 90 - 11 - 3.0/2201=1 HD3 LYS 35 - HE3 LYS 44 lone 9 95 - 10 - 3.0/1833=1, 3.0/1822=1 HD3 LYS 35 - HE2 LYS 44 lone 9 94 - 10 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 61 - HE3 LYS 44 lone 9 94 - 10 - HD2 LYS 61 - HE3 LYS 44 lone 9 94 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 9 94 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 9 94 - 10 - HD3 LYS 44 - HE3 LYS 61 poor 8 80 - 10 - 3.0/2200=1 HD2 LYS 44 - HE3 LYS 61 poor 8 79 - 10 - 3.0/2200=1 HD3 LYS 94 - HE2 LYS 61 lone 7 88 - 8 - HD2 LYS 94 - HE2 LYS 61 lone 7 88 - 8 - HD3 LYS 35 - HE2 LYS 61 lone 7 91 - 7 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 44 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 100 - 6 - HB3 LYS 61 - HE3 LYS 44 poor 6 57 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 6 57 - 11 - HD3 LYS 35 - HE3 LYS 61 lone 6 80 - 7 - 3.0/1832=1 HD3 LYS 61 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 94 - HE3 LYS 61 lone 5 77 - 6 - HD2 LYS 94 - HE3 LYS 61 lone 5 77 - 6 - HD2 LYS 94 - HE3 LYS 44 lone 4 92 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 4 92 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 4 91 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 91 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 4 65 - 6 - HB3 LYS 61 - HE2 LYS 35 lone 4 65 - 6 - HD3 LYS 63 - HE2 LYS 61 lone 4 90 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 4 82 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 81 - 4 - HB ILE 40 - HE3 LYS 35 lone 3 100 - 3 - 1801/4.9=1 HB ILE 40 - HE2 LYS 35 lone 3 100 - 3 - 1801/4.9=1 HD2 LYS 45 - HE3 LYS 44 lone 3 78 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 3 78 - 4 - HD3 LYS 63 - HE3 LYS 61 lone 3 79 - 3 - HD3 LYS 45 - HE2 LYS 61 lone 3 78 - 3 - HD2 LYS 45 - HE2 LYS 61 lone 2 74 - 3 - HD3 LYS 94 - HE2 LYS 35 lone 2 99 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 99 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 99 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 99 - 2 - HD3 LYS 45 - HE3 LYS 61 lone 2 67 - 3 - HD2 LYS 45 - HE3 LYS 61 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 94 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 99 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 99 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 80 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 79 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 94 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 89 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 100 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 100 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 92 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 92 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 80 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 79 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 76 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 76 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 1 89 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 1 89 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 1 90 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 1 90 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 91 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 65 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 1 87 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 1 87 - 1 - QB ALA 79 - HE3 LYS 35 lone 1 89 - 1 - QB ALA 79 - HE2 LYS 35 lone 1 89 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 57 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 57 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 78 - 1 - HG2 ARG 57 - HE3 LYS 44 lone 0 94 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 94 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 94 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 93 - 0 - QB ALA 79 - HE3 LYS 61 lone 0 65 - 1 - HB ILE 40 - HE3 LYS 61 lone 0 80 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 91 - 0 - HG3 ARG 57 - HE2 LYS 61 lone 0 90 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 80 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 79 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 65 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 65 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 54 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 46 - 0 - Peak 1862 from cnoeabs.peaks (3.02, 3.02, 42.02 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 35 + HE3 LYS 35 OK 100 100 - 100 * HE2 LYS 35 + HE2 LYS 35 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 94 94 - 100 HE2 LYS 44 + HE2 LYS 44 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 84 84 - 100 HE3 LYS 61 + HE3 LYS 61 OK 65 65 - 100 Peak 1863 from cnoeabs.peaks (3.02, 3.02, 42.02 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 35 + HE3 LYS 35 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 94 94 - 100 HE2 LYS 44 + HE2 LYS 44 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 84 84 - 100 HE3 LYS 61 + HE3 LYS 61 OK 65 65 - 100 Reference assignment not found: HE3 LYS 35 - HE2 LYS 35 Peak 1864 from cnoeabs.peaks (8.35, 3.02, 42.02 ppm; 4.55 A): 2 out of 24 assignments used, quality = 0.98: * H LYS 35 + HE3 LYS 35 OK 85 100 - 85 - 7.2=25, 729/3.9=25...(10) H LYS 35 + HE2 LYS 35 OK 85 100 - 85 - 7.2=25, 729/3.9=25...(10) H LYS 94 - HE3 LYS 35 OK 32 98 - 32 - 1844/3.0=7, 1834/3.0=7...(6) H LYS 94 - HE2 LYS 35 OK 32 98 - 32 - 1844/3.0=7, 1834/3.0=7...(6) H LYS 35 - HE3 LYS 44 OK 23 95 - 24 - 3.8/1803=4, 732=4...(9) H LYS 35 - HE2 LYS 44 OK 23 94 - 24 - 3.8/1803=4, 732=4...(9) H GLY 64 - HE3 LYS 35 OK 22 92 - 24 - 1844/3.0=5, 1834/3.0=5...(6) H GLY 64 - HE2 LYS 35 OK 22 92 - 24 - 1844/3.0=5, 1834/3.0=5...(6) H LYS 35 - HE2 LYS 61 OK 20 91 - 22 - 732=3, 3.8/1803=3...(9) H LYS 94 - HE2 LYS 61 OK 17 87 - 20 - 1036/2.9=2, 1037/2.9=2...(10) H LYS 35 - HE3 LYS 61 OK 17 80 - 21 - 3.8/1802=3, 732=3...(9) H ASN 52 - HE2 LYS 35 OK 15 83 - 17 - 1834/3.0=3, 1844/3.0=3...(7) H ASN 52 - HE3 LYS 35 OK 15 83 - 17 - 1834/3.0=3, 1844/3.0=3...(7) H LYS 94 - HE3 LYS 61 OK 13 76 - 17 - 1037/2.9=2, 1036/2.9=2...(8) H LYS 94 - HE3 LYS 44 lone 9 91 - 10 - 1036/3.0=1, 1037/3.0=1 H LYS 94 - HE2 LYS 44 lone 9 90 - 10 - 1037/3.0=1, 1037/3.0=1 H GLY 64 - HE2 LYS 61 poor 8 79 - 11 - 5983/6.6=2, 293/3.9=2, 293/3.9=2 H GLY 64 - HE3 LYS 61 lone 7 68 - 10 - 5983/6.6=2, 293/3.9=2, 292/3.9=2 H GLY 64 - HE3 LYS 44 lone 4 83 - 5 - H GLY 64 - HE2 LYS 44 lone 4 83 - 5 - H ASN 52 - HE2 LYS 61 lone 2 70 - 3 - H ASN 52 - HE3 LYS 44 lone 2 74 - 3 - H ASN 52 - HE2 LYS 44 lone 2 74 - 3 - H ASN 52 - HE3 LYS 61 lone 2 60 - 3 - Peak 1866 from cnoeabs.peaks (2.05, 3.02, 42.02 ppm; 3.87 A): 2 out of 42 assignments used, quality = 0.99: HB2 LYS 35 + HE2 LYS 35 OK 90 100 - 90 - 4.9=50, 1846/3.0=30...(24) * HB2 LYS 35 + HE3 LYS 35 OK 90 100 - 90 - 4.9=50, 1846/3.0=30...(24) HB2 LYS 35 - HE3 LYS 44 OK 41 95 - 44 - 1803=4, 1802/1.8=4...(21) HB2 LYS 35 - HE2 LYS 44 OK 41 94 - 44 - 1803=4, 1802/1.8=4...(21) HB2 LYS 35 - HE2 LYS 61 OK 33 91 - 36 - 1803=4, 1802/1.8=3...(18) HB2 LYS 35 - HE3 LYS 61 OK 29 80 - 37 - 1803=3, 1803/1.8=3...(18) QE MET 50 - HE3 LYS 61 lone 5 63 - 7 - 5694/1.8=3, 5672/3.9=2 QE MET 50 - HE2 LYS 61 lone 4 74 - 6 - 5672/3.9=2, 5672/3.9=2 HB2 GLU 28 - HE3 LYS 44 lone 3 57 - 5 - 4995/3.9=1 HB2 GLU 28 - HE2 LYS 44 lone 3 57 - 5 - 4995/3.9=1 HB3 GLU 23 - HE3 LYS 35 lone 3 97 - 3 - 1846/3.0=1 HB3 GLU 23 - HE2 LYS 35 lone 3 97 - 3 - 1846/3.0=1 HB2 LYS 86 - HE2 LYS 35 lone 3 85 - 3 - HB2 LYS 86 - HE3 LYS 35 lone 3 85 - 3 - HB2 LYS 86 - HE3 LYS 44 lone 2 76 - 3 - HB2 LYS 86 - HE2 LYS 44 lone 2 76 - 3 - HG2 PRO 92 - HE3 LYS 35 lone 2 73 - 3 - HG2 PRO 92 - HE2 LYS 35 lone 2 73 - 3 - HB2 LYS 86 - HE2 LYS 61 lone 2 72 - 3 - HB2 LYS 86 - HE3 LYS 61 lone 2 62 - 3 - HB2 GLU 28 - HE2 LYS 35 lone 1 65 - 2 - HB2 GLU 28 - HE3 LYS 35 lone 1 65 - 2 - HB3 MET 50 - HE2 LYS 61 lone 1 66 - 2 - QE MET 50 - HE3 LYS 35 lone 1 87 - 1 - QE MET 50 - HE2 LYS 35 lone 1 87 - 1 - HG2 PRO 92 - HE3 LYS 44 lone 1 65 - 2 - HG2 PRO 92 - HE2 LYS 44 lone 1 64 - 2 - HB3 MET 50 - HE3 LYS 35 lone 1 78 - 1 - HB3 MET 50 - HE2 LYS 35 lone 1 78 - 1 - HG2 PRO 92 - HE2 LYS 61 lone 1 61 - 2 - QE MET 50 - HE3 LYS 44 lone 1 78 - 1 - QE MET 50 - HE2 LYS 44 lone 1 78 - 1 - HB3 GLU 23 - HE3 LYS 44 lone 1 90 - 1 - HB3 GLU 23 - HE2 LYS 44 lone 1 89 - 1 - HB3 GLU 23 - HE2 LYS 61 lone 1 86 - 1 - HB3 MET 50 - HE3 LYS 61 lone 1 56 - 2 - HB3 MET 50 - HE3 LYS 44 lone 1 70 - 1 - HB3 MET 50 - HE2 LYS 44 lone 1 69 - 1 - HG2 PRO 92 - HE3 LYS 61 lone 1 52 - 2 - HB2 GLU 28 - HE2 LYS 61 lone 1 54 - 1 - HB3 GLU 23 - HE3 LYS 61 lone 1 75 - 1 - HB2 GLU 28 - HE3 LYS 61 lone 1 46 - 1 - Peak 1867 from cnoeabs.peaks (2.16, 3.02, 42.02 ppm; 4.32 A): 4 out of 48 assignments used, quality = 1.00: * HB3 LYS 35 + HE3 LYS 35 OK 96 100 - 96 - 4.9=69, ~1846=23...(26) HB3 LYS 35 + HE2 LYS 35 OK 96 100 - 96 - 4.9=69, ~1846=23...(26) HB3 LYS 35 + HE3 LYS 44 OK 47 95 - 50 - 1812=5, 1.8/1803=5...(23) HB3 LYS 35 + HE2 LYS 44 OK 47 94 - 50 - 1812=5, 1.8/1803=5...(23) HB3 LYS 35 - HE2 LYS 61 OK 37 91 - 40 - 1.8/1803=4, 1812=4...(20) HB3 LYS 35 - HE3 LYS 61 OK 33 80 - 41 - 1.8/1803=4, 1813=4...(20) HB3 PRO 92 - HE2 LYS 35 lone 4 98 - 4 - HB3 PRO 92 - HE3 LYS 35 lone 4 98 - 4 - HG3 PRO 92 - HE3 LYS 35 lone 3 95 - 4 - HG3 PRO 92 - HE2 LYS 35 lone 3 95 - 4 - HB2 PRO 73 - HE3 LYS 35 lone 3 100 - 3 - HB2 PRO 73 - HE2 LYS 35 lone 3 100 - 3 - HB3 GLU 58 - HE3 LYS 61 lone 3 79 - 3 - 5900/5916=2 HB3 GLU 58 - HE2 LYS 35 lone 2 100 - 2 - HB3 GLU 58 - HE3 LYS 35 lone 2 100 - 2 - HB3 PRO 92 - HE3 LYS 44 lone 2 91 - 2 - HB3 PRO 92 - HE2 LYS 44 lone 2 90 - 2 - HB3 PRO 92 - HE2 LYS 61 lone 2 87 - 2 - HG3 PRO 92 - HE3 LYS 44 lone 2 86 - 2 - HG3 PRO 92 - HE2 LYS 44 lone 2 86 - 2 - HB3 PRO 92 - HE3 LYS 61 lone 2 76 - 2 - HG3 PRO 92 - HE2 LYS 61 lone 2 82 - 2 - HB3 GLU 58 - HE3 LYS 44 lone 2 94 - 2 - HB3 GLU 58 - HE2 LYS 44 lone 2 94 - 2 - HB3 GLU 58 - HE2 LYS 61 lone 2 90 - 2 - HG3 PRO 92 - HE3 LYS 61 lone 1 71 - 2 - HB2 PRO 73 - HE2 LYS 61 lone 1 91 - 2 - HB2 PRO 73 - HE3 LYS 44 lone 1 94 - 1 - HB2 PRO 73 - HE2 LYS 44 lone 1 94 - 1 - HB2 PHE 88 - HE3 LYS 35 lone 1 89 - 1 - HB2 PHE 88 - HE2 LYS 35 lone 1 89 - 1 - HB2 GLU 58 - HE2 LYS 35 lone 1 60 - 2 - HB2 GLU 58 - HE3 LYS 35 lone 1 60 - 2 - HB2 PRO 73 - HE3 LYS 61 lone 1 80 - 1 - HG3 GLU 65 - HE2 LYS 61 lone 1 61 - 2 - HB2 GLU 58 - HE3 LYS 61 lone 1 41 - 2 - 5901/5916=1 HG3 GLU 65 - HE3 LYS 35 lone 1 73 - 1 - HG3 GLU 65 - HE2 LYS 35 lone 1 73 - 1 - HG3 GLU 65 - HE3 LYS 44 lone 1 65 - 1 - HB2 PHE 88 - HE2 LYS 61 lone 1 76 - 1 - HG3 GLU 65 - HE2 LYS 44 lone 1 64 - 1 - HB2 PHE 88 - HE3 LYS 44 lone 1 80 - 1 - HB2 PHE 88 - HE2 LYS 44 lone 1 79 - 1 - HB2 GLU 58 - HE2 LYS 61 lone 1 49 - 2 - HB2 GLU 58 - HE3 LYS 44 lone 1 52 - 1 - HB2 GLU 58 - HE2 LYS 44 lone 1 52 - 1 - HG3 GLU 65 - HE3 LYS 61 lone 1 52 - 1 - HB2 PHE 88 - HE3 LYS 61 lone 1 65 - 1 - Peak 1868 from cnoeabs.peaks (1.76, 3.02, 42.02 ppm; 2.95 A): 4 out of 18 assignments used, quality = 1.00: HD2 LYS 35 + HE2 LYS 35 OK 81 83 - 98 - 3.0=97, 3.0/1859=6...(12) HD2 LYS 35 + HE3 LYS 35 OK 81 83 - 98 - 3.0=97, 3.0/1859=6...(12) * HG2 LYS 35 + HE3 LYS 35 OK 72 100 - 72 - 3.9=42, 1.8/1869=8...(20) HG2 LYS 35 + HE2 LYS 35 OK 72 100 - 72 - 3.9=42, 1.8/1869=8...(20) HG2 LYS 35 - HE3 LYS 44 OK 24 95 - 26 - 1823=3, 1.8/1832=3...(15) HG2 LYS 35 - HE2 LYS 44 OK 24 94 - 26 - 1823=3, 1.8/1832=3...(15) HG2 LYS 35 - HE2 LYS 61 OK 18 91 - 20 - 1823=2, 1.8/1833=2...(9) HG2 LYS 35 - HE3 LYS 61 OK 16 80 - 21 - 1823=2, 1.8/1833=2...(9) HD2 LYS 35 - HE3 LYS 44 OK 11 74 - 15 - 3.0/1832=2, 3.0/1822=2...(10) HD2 LYS 35 - HE2 LYS 44 OK 11 74 - 15 - 3.0/1832=2, 3.0/1822=2...(10) HD2 LYS 35 - HE2 LYS 61 poor 8 70 - 11 - 3.0/1833=2, 3.0/1823=2...(4) HD2 LYS 35 - HE3 LYS 61 poor 7 60 - 11 - 3.0/1833=2, 3.0/1823=2...(4) HB3 GLN 19 - HE2 LYS 35 lone 1 100 - 1 - HB3 GLN 19 - HE3 LYS 35 lone 1 100 - 1 - HB3 GLN 19 - HE3 LYS 44 lone 1 94 - 1 - HB3 GLN 19 - HE2 LYS 44 lone 1 94 - 1 - HB3 GLN 19 - HE2 LYS 61 lone 1 91 - 1 - HB3 GLN 19 - HE3 LYS 61 lone 0 80 - 0 - Peak 1869 from cnoeabs.peaks (1.27, 3.02, 42.02 ppm; 3.22 A): 2 out of 36 assignments used, quality = 0.98: * HG3 LYS 35 + HE3 LYS 35 OK 85 100 - 85 - 3.9=55, 1833/1.8=9...(28) HG3 LYS 35 + HE2 LYS 35 OK 85 100 - 85 - 3.9=55, 1833/1.8=9...(28) HG3 LYS 35 - HE3 LYS 44 OK 31 95 - 33 - 1832=5, 1833/1.8=4...(19) HG3 LYS 35 - HE2 LYS 44 OK 31 94 - 33 - 1832=5, 1833/1.8=4...(19) HG3 LYS 35 - HE2 LYS 61 OK 24 91 - 26 - 1832=4, 1.8/1823=3...(9) HG3 LYS 35 - HE3 LYS 61 OK 21 80 - 26 - 1832=3, 1832/1.8=3...(13) HG13 ILE 39 - HE2 LYS 61 lone 2 72 - 3 - 4.6/5363=1 HG3 LYS 86 - HE3 LYS 44 lone 2 80 - 2 - HG3 LYS 86 - HE2 LYS 44 lone 2 79 - 2 - HG3 LYS 86 - HE2 LYS 35 lone 2 89 - 2 - HG3 LYS 86 - HE3 LYS 35 lone 2 89 - 2 - HG3 LYS 86 - HE2 LYS 61 lone 2 76 - 2 - HG13 ILE 39 - HE2 LYS 35 lone 1 85 - 2 - HG13 ILE 39 - HE3 LYS 35 lone 1 85 - 2 - HG3 LYS 86 - HE3 LYS 61 lone 1 65 - 2 - HG13 ILE 39 - HE3 LYS 44 lone 1 76 - 1 - HG13 ILE 39 - HE2 LYS 44 lone 1 76 - 1 - QB ALA 98 - HE3 LYS 35 lone 1 100 - 1 - QB ALA 98 - HE2 LYS 35 lone 1 100 - 1 - HG12 ILE 16 - HE3 LYS 44 lone 1 67 - 1 - HG12 ILE 16 - HE2 LYS 44 lone 1 67 - 1 - HG12 ILE 16 - HE2 LYS 61 lone 1 64 - 1 - QB ALA 98 - HE3 LYS 44 lone 1 95 - 1 - QB ALA 98 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 16 - HE3 LYS 61 lone 1 54 - 1 - HG12 ILE 16 - HE3 LYS 35 lone 1 76 - 1 - HG12 ILE 16 - HE2 LYS 35 lone 1 76 - 1 - HG13 ILE 39 - HE3 LYS 61 lone 1 62 - 1 - QB ALA 98 - HE2 LYS 61 lone 1 91 - 1 - QG2 THR 26 - HE3 LYS 44 lone 1 95 - 1 - QG2 THR 26 - HE2 LYS 44 lone 1 94 - 1 - QG2 THR 26 - HE2 LYS 35 lone 1 100 - 1 - QG2 THR 26 - HE3 LYS 35 lone 1 100 - 1 - QG2 THR 26 - HE2 LYS 61 lone 0 91 - 0 - QB ALA 98 - HE3 LYS 61 lone 0 80 - 1 - QG2 THR 26 - HE3 LYS 61 lone 0 80 - 0 - Peak 1870 from cnoeabs.peaks (1.74, 3.02, 42.02 ppm; 2.71 A): 4 out of 30 assignments used, quality = 0.99: * HD2 LYS 35 + HE3 LYS 35 OK 82 100 - 82 - 3.0=76, 3.0/1859=5...(12) HD2 LYS 35 + HE2 LYS 35 OK 82 100 - 82 - 3.0=76, 3.0/1859=5...(12) HG2 LYS 35 + HE2 LYS 35 OK 51 83 - 62 - 3.9=33, 1.8/1869=7...(20) HG2 LYS 35 + HE3 LYS 35 OK 51 83 - 62 - 3.9=33, 1.8/1869=7...(20) HG2 LYS 35 - HE3 LYS 44 OK 15 74 - 21 - 1.8/1859=3, 1823=2...(9) HG2 LYS 35 - HE2 LYS 44 OK 15 74 - 21 - 1.8/1832=3, 1823=2...(9) HD2 LYS 35 - HE3 LYS 44 OK 11 95 - 12 - 3.0/1833=2, 3.0/1823=2...(6) HD2 LYS 35 - HE2 LYS 44 OK 11 94 - 12 - 3.0/1833=2, 3.0/1823=2...(6) HG2 LYS 35 - HE2 LYS 61 OK 11 70 - 16 - 1.8/1869=2, 1823=1...(6) HG2 LYS 35 - HE3 LYS 61 poor 10 60 - 16 - 1.8/1833=2, 1823=1...(8) HD2 LYS 35 - HE2 LYS 61 lone 8 91 - 9 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 35 - HE3 LYS 61 lone 7 80 - 9 - 3.0/1833=1, 3.0/1823=1 HB2 LEU 53 - HE3 LYS 35 lone 1 78 - 1 - HB2 LEU 53 - HE2 LYS 35 lone 1 78 - 1 - HB ILE 80 - HE3 LYS 35 lone 1 78 - 1 - HB ILE 80 - HE2 LYS 35 lone 1 78 - 1 - HB3 GLN 19 - HE3 LYS 35 lone 1 89 - 1 - HB3 GLN 19 - HE2 LYS 35 lone 1 89 - 1 - HB3 GLN 19 - HE3 LYS 44 lone 0 80 - 0 - HB3 GLN 19 - HE2 LYS 44 lone 0 79 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 70 - 1 - HB ILE 80 - HE2 LYS 44 lone 0 69 - 1 - HB3 GLN 19 - HE2 LYS 61 lone 0 76 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 70 - 0 - HB ILE 80 - HE2 LYS 61 lone 0 66 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 69 - 0 - HB2 LEU 53 - HE2 LYS 61 lone 0 66 - 0 - HB3 GLN 19 - HE3 LYS 61 lone 0 65 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 56 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 56 - 0 - Peak 1871 from cnoeabs.peaks (1.69, 3.02, 42.02 ppm; 2.44 A): 10 out of 108 assignments used, quality = 1.00: HD3 LYS 44 + HE3 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE3 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE2 LYS 44 OK 67 94 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE2 LYS 44 OK 66 94 - 71 - 3.0=56, 3.0/2201=3...(18) * HD3 LYS 35 + HE3 LYS 35 OK 66 100 - 66 - 3.0=55, 1846/4.9=5...(11) HD3 LYS 35 + HE2 LYS 35 OK 66 100 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 65 90 - 72 - 2.9=58, 1.8/2822=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 65 90 - 72 - 2.9=58, 1.8/2822=3...(8) HD2 LYS 61 + HE3 LYS 61 OK 54 79 - 68 - 2.9=58, 2812/1.8=3...(9) HD3 LYS 61 + HE3 LYS 61 OK 54 79 - 68 - 2.9=58, 2812/1.8=3...(9) HB3 LYS 61 - HE2 LYS 61 OK 20 54 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 15 46 - 33 - 5.0=11, ~2772=2...(11) HD3 LYS 44 - HE2 LYS 61 poor 10 91 - 11 - 3.0/2201=1 HD2 LYS 44 - HE2 LYS 61 poor 9 90 - 11 - 3.0/2201=1 HD3 LYS 35 - HE3 LYS 44 lone 9 95 - 10 - 3.0/1833=1, 3.0/1822=1 HD3 LYS 35 - HE2 LYS 44 lone 9 94 - 10 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 61 - HE3 LYS 44 lone 9 94 - 10 - HD2 LYS 61 - HE3 LYS 44 lone 9 94 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 9 94 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 9 94 - 10 - HD3 LYS 44 - HE3 LYS 61 poor 8 80 - 10 - 3.0/2200=1 HD2 LYS 44 - HE3 LYS 61 poor 8 79 - 10 - 3.0/2200=1 HD3 LYS 94 - HE2 LYS 61 lone 7 88 - 8 - HD2 LYS 94 - HE2 LYS 61 lone 7 88 - 8 - HD3 LYS 35 - HE2 LYS 61 lone 7 91 - 7 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 44 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 100 - 6 - HB3 LYS 61 - HE3 LYS 44 poor 6 57 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 6 57 - 11 - HD3 LYS 35 - HE3 LYS 61 lone 6 80 - 7 - 3.0/1832=1 HD3 LYS 61 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 6 100 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 6 100 - 6 - HD3 LYS 94 - HE3 LYS 61 lone 5 77 - 6 - HD2 LYS 94 - HE3 LYS 61 lone 5 77 - 6 - HD2 LYS 94 - HE3 LYS 44 lone 4 92 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 4 92 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 4 91 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 91 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 4 65 - 6 - HB3 LYS 61 - HE2 LYS 35 lone 4 65 - 6 - HD3 LYS 63 - HE2 LYS 61 lone 4 90 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 4 82 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 81 - 4 - HB ILE 40 - HE3 LYS 35 lone 3 100 - 3 - 1801/4.9=1 HB ILE 40 - HE2 LYS 35 lone 3 100 - 3 - 1801/4.9=1 HD2 LYS 45 - HE3 LYS 44 lone 3 78 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 3 78 - 4 - HD3 LYS 63 - HE3 LYS 61 lone 3 79 - 3 - HD3 LYS 45 - HE2 LYS 61 lone 3 78 - 3 - HD2 LYS 45 - HE2 LYS 61 lone 2 74 - 3 - HD3 LYS 94 - HE2 LYS 35 lone 2 99 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 99 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 99 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 99 - 2 - HD3 LYS 45 - HE3 LYS 61 lone 2 67 - 3 - HD2 LYS 45 - HE3 LYS 61 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 94 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 99 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 99 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 80 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 79 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 94 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 89 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 100 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 100 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 92 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 92 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 80 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 79 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 76 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 76 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 1 89 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 1 89 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 1 90 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 1 90 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 91 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 65 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 1 87 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 1 87 - 1 - QB ALA 79 - HE3 LYS 35 lone 1 89 - 1 - QB ALA 79 - HE2 LYS 35 lone 1 89 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 57 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 57 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 78 - 1 - HG2 ARG 57 - HE3 LYS 44 lone 0 94 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 94 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 94 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 93 - 0 - QB ALA 79 - HE3 LYS 61 lone 0 65 - 1 - HB ILE 40 - HE3 LYS 61 lone 0 80 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 91 - 0 - HG3 ARG 57 - HE2 LYS 61 lone 0 90 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 80 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 79 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 65 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 65 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 54 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 46 - 0 - Peak 1872 from cnoeabs.peaks (3.02, 3.02, 42.02 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 35 + HE3 LYS 35 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 94 94 - 100 HE2 LYS 44 + HE2 LYS 44 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 84 84 - 100 HE3 LYS 61 + HE3 LYS 61 OK 65 65 - 100 Reference assignment not found: HE2 LYS 35 - HE3 LYS 35 Peak 1873 from cnoeabs.peaks (3.02, 3.02, 42.02 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 35 + HE3 LYS 35 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 94 94 - 100 HE2 LYS 44 + HE2 LYS 44 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 84 84 - 100 HE3 LYS 61 + HE3 LYS 61 OK 65 65 - 100 Peak 1874 from cnoeabs.peaks (7.50, 4.13, 57.34 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 36 + HA GLN 36 OK 100 100 - 100 - 2.9=100 Peak 1875 from cnoeabs.peaks (4.13, 4.13, 57.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 36 + HA GLN 36 OK 100 100 - 100 HA GLU 23 + HA GLU 23 OK 47 47 - 100 Peak 1876 from cnoeabs.peaks (2.11, 4.13, 57.34 ppm; 2.96 A): 1 out of 12 assignments used, quality = 0.99: * HB2 GLN 36 + HA GLN 36 OK 99 100 - 99 - 3.0=95, 1.8/1877=20...(14) HB2 GLU 58 - HA GLN 36 lone 6 81 - 7 - 3.0/1879=2, 736/2.9=2 HB2 GLN 19 - HA GLN 36 lone 5 100 - 5 - 736/2.9=1 HB2 GLU 58 - HA GLU 23 poor 4 38 - 11 - 2716/3.8=2, 2717/3.8=2...(6) HB3 LYS 77 - HA GLN 36 lone 2 100 - 2 - HB3 LYS 77 - HA GLU 23 lone 1 55 - 2 - HB2 GLN 36 - HA GLU 23 lone 1 55 - 2 - HG2 PRO 74 - HA GLN 36 lone 1 100 - 1 - HG3 GLU 65 - HA GLN 36 lone 0 68 - 1 - HB2 GLN 19 - HA GLU 23 lone 0 55 - 1 - HG2 PRO 74 - HA GLU 23 lone 0 54 - 0 - HG3 GLU 65 - HA GLU 23 lone 0 31 - 0 - Peak 1877 from cnoeabs.peaks (2.01, 4.13, 57.34 ppm; 2.95 A): 2 out of 14 assignments used, quality = 0.99: * HB3 GLN 36 + HA GLN 36 OK 99 100 - 99 - 3.0=94, 1.8/1876=27...(16) HB2 GLU 23 + HA GLU 23 OK 50 51 - 99 - 3.0=97, 660/3.0=14...(14) HB VAL 25 - HA GLU 23 poor 5 37 - 12 - 660/3.0=4, ~4859=2...(4) HB2 GLU 23 - HA GLN 36 lone 2 97 - 2 - HB3 MET 50 - HA GLN 36 lone 2 95 - 2 - HG2 PRO 92 - HA GLN 36 lone 2 97 - 2 - QE MET 50 - HA GLN 36 lone 2 89 - 2 - HG2 PRO 49 - HA GLN 36 lone 2 96 - 2 - HB VAL 25 - HA GLN 36 lone 1 78 - 2 - HB3 GLN 36 - HA GLU 23 lone 1 55 - 2 - HG2 PRO 92 - HA GLU 23 lone 1 50 - 1 - HG2 PRO 49 - HA GLU 23 lone 1 49 - 1 - HB3 MET 50 - HA GLU 23 lone 0 48 - 1 - QE MET 50 - HA GLU 23 lone 0 44 - 1 - Peak 1878 from cnoeabs.peaks (2.42, 4.13, 57.34 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.99: * HG2 GLN 36 + HA GLN 36 OK 99 100 - 99 - 4.0=82, 1.8/1879=32...(16) HG3 GLN 48 - HA GLN 36 lone 8 96 - 8 - 146/3.5=2, 738/2.9=2 HE2 LYS 86 - HA GLN 36 lone 5 68 - 7 - 3.9/5247=2, 738/2.9=2...(4) HG2 GLN 36 - HA GLU 23 lone 3 55 - 4 - 1899=1 HB3 ASP 56 - HA GLN 36 lone 2 78 - 3 - HG3 GLN 48 - HA GLU 23 lone 1 49 - 1 - HE2 LYS 86 - HA GLU 23 lone 0 31 - 1 - HB3 ASP 56 - HA GLU 23 lone 0 37 - 1 - Peak 1879 from cnoeabs.peaks (2.30, 4.13, 57.34 ppm; 3.22 A): 1 out of 10 assignments used, quality = 0.90: * HG3 GLN 36 + HA GLN 36 OK 90 100 - 90 - 4.0=53, 1.8/1878=23...(13) HG3 GLU 58 - HA GLN 36 lone 10 97 - 10 - 739/2.9=2, 1887/3.0=1...(4) HG3 GLU 58 - HA GLU 23 poor 7 51 - 14 - ~663=3, 1.8/1511=2...(6) HB3 LYS 86 - HA GLN 36 lone 6 81 - 8 - 739/2.9=2, 2.8/5247=2, ~134=1 HB3 PRO 73 - HA GLN 36 lone 2 100 - 2 - HG3 GLN 36 - HA GLU 23 lone 2 55 - 3 - HG2 MET 50 - HA GLN 36 lone 1 57 - 2 - HB3 LYS 86 - HA GLU 23 lone 0 38 - 1 - HG2 MET 50 - HA GLU 23 lone 0 25 - 1 - HB3 PRO 73 - HA GLU 23 lone 0 54 - 0 - Peak 1882 from cnoeabs.peaks (7.50, 2.11, 29.64 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.98: * H GLN 36 + HB2 GLN 36 OK 98 100 - 98 - 4.0=78, 737/1.8=41...(12) H TYR 33 - HB2 GLN 36 OK 31 73 - 42 - 1890/1.8=9, ~5166=9...(9) H GLN 36 - HB2 GLU 58 poor 5 34 - 15 - 736=4, 135/1.8=4...(5) H TYR 33 - HB2 GLU 58 lone 0 20 - 1 - Peak 1883 from cnoeabs.peaks (4.13, 2.11, 29.64 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 36 + HB2 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1884 from cnoeabs.peaks (2.11, 2.11, 29.64 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 36 + HB2 GLN 36 OK 100 100 - 100 HB2 GLU 58 - HB2 GLU 58 OK 23 23 - 100 Peak 1885 from cnoeabs.peaks (2.01, 2.11, 29.64 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 36 + HB2 GLN 36 OK 100 100 - 100 - 1.8=100 Peak 1886 from cnoeabs.peaks (2.42, 2.11, 29.64 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HB2 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1887 from cnoeabs.peaks (2.30, 2.11, 29.64 ppm; 2.82 A): 2 out of 10 assignments used, quality = 0.94: * HG3 GLN 36 + HB2 GLN 36 OK 91 100 - 91 - 3.0=84, 1879/3.0=14...(8) HG3 GLU 58 + HB2 GLU 58 OK 30 31 - 94 - 3.0=82, 2733/1.8=17...(14) HG3 GLU 58 - HB2 GLN 36 lone 7 97 - 7 - 1879/3.0=2, 739/4.0=1, 2732=1 HB3 LYS 86 - HB2 GLN 36 lone 3 81 - 3 - 1879/3.0=1, 739/4.0=1 HB3 PRO 73 - HB2 GLN 36 lone 1 100 - 1 - HG3 GLN 36 - HB2 GLU 58 lone 1 34 - 3 - HB3 PRO 73 - HB2 GLU 58 lone 1 34 - 2 - HG2 MET 50 - HB2 GLN 36 lone 1 57 - 1 - HB3 LYS 86 - HB2 GLU 58 lone 0 23 - 1 - HG2 MET 50 - HB2 GLU 58 lone 0 15 - 0 - Peak 1889 from cnoeabs.peaks (7.63, 2.11, 29.64 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HB2 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 1890 from cnoeabs.peaks (7.50, 2.01, 29.64 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.97: * H GLN 36 + HB3 GLN 36 OK 97 100 - 97 - 4.0=75, 736/1.8=35...(12) H TYR 33 - HB3 GLN 36 OK 31 73 - 42 - ~5166=8, 1882/1.8=8...(9) Peak 1891 from cnoeabs.peaks (4.13, 2.01, 29.64 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 36 + HB3 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1892 from cnoeabs.peaks (2.11, 2.01, 29.64 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 36 + HB3 GLN 36 OK 100 100 - 100 - 1.8=100 Peak 1893 from cnoeabs.peaks (2.01, 2.01, 29.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 36 + HB3 GLN 36 OK 100 100 - 100 Peak 1894 from cnoeabs.peaks (2.42, 2.01, 29.64 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HB3 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1895 from cnoeabs.peaks (2.30, 2.01, 29.64 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 36 + HB3 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1897 from cnoeabs.peaks (7.63, 2.01, 29.64 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HB3 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 1898 from cnoeabs.peaks (7.50, 2.42, 33.99 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 36 + HG2 GLN 36 OK 93 100 - 93 - 738=44, 739/1.8=31...(15) H TYR 33 + HG2 GLN 36 OK 32 73 - 43 - 3.0/5166=14, 1906/1.8=9...(10) Peak 1899 from cnoeabs.peaks (4.13, 2.42, 33.99 ppm; 3.82 A): 1 out of 9 assignments used, quality = 0.99: * HA GLN 36 + HG2 GLN 36 OK 99 100 - 99 - 4.0=89, 1879/1.8=33...(16) HA THR 99 - HG2 GLN 36 OK 27 97 - 27 - 1907/1.8=7, 3.0/4140=6...(7) HA GLU 23 - HG2 GLN 36 lone 4 93 - 4 - 1878=1, 1907/1.8=1 HA ALA 78 - HG2 GLN 36 lone 3 63 - 5 - 6452/7181=2 HA3 GLY 22 - HG2 GLN 36 lone 2 83 - 3 - HA VAL 25 - HG2 GLN 36 lone 2 81 - 3 - HB2 SER 96 - HG2 GLN 36 lone 1 83 - 1 - HB THR 15 - HG2 GLN 36 lone 1 100 - 1 - HB THR 67 - HG2 GLN 36 lone 1 65 - 1 - Peak 1900 from cnoeabs.peaks (2.11, 2.42, 33.99 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 36 + HG2 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1901 from cnoeabs.peaks (2.01, 2.42, 33.99 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 36 + HG2 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1902 from cnoeabs.peaks (2.42, 2.42, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HG2 GLN 36 OK 100 100 - 100 Peak 1903 from cnoeabs.peaks (2.30, 2.42, 33.99 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 36 + HG2 GLN 36 OK 100 100 - 100 - 1.8=100 Peak 1904 from cnoeabs.peaks (6.78, 2.42, 33.99 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 36 + HG2 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 1905 from cnoeabs.peaks (7.63, 2.42, 33.99 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HG2 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 1906 from cnoeabs.peaks (7.50, 2.30, 33.99 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 36 + HG3 GLN 36 OK 93 100 - 93 - 739=39, 738/1.8=38...(14) H TYR 33 + HG3 GLN 36 OK 33 73 - 45 - ~5166=11, 1898/1.8=10...(10) Peak 1907 from cnoeabs.peaks (4.13, 2.30, 33.99 ppm; 3.59 A): 1 out of 9 assignments used, quality = 0.97: * HA GLN 36 + HG3 GLN 36 OK 97 100 - 97 - 4.0=74, 1878/1.8=29...(13) HA THR 99 - HG3 GLN 36 OK 24 97 - 24 - 1899/1.8=6, 3.0/4141=6...(7) HA GLU 23 - HG3 GLN 36 lone 3 93 - 3 - 1899/1.8=1 HA ALA 78 - HG3 GLN 36 lone 2 63 - 3 - 6452/7182=1 HA3 GLY 22 - HG3 GLN 36 lone 2 83 - 2 - HA VAL 25 - HG3 GLN 36 lone 2 81 - 3 - HB THR 15 - HG3 GLN 36 lone 1 100 - 1 - HB2 SER 96 - HG3 GLN 36 lone 1 83 - 1 - HB THR 67 - HG3 GLN 36 lone 0 65 - 1 - Peak 1908 from cnoeabs.peaks (2.11, 2.30, 33.99 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 36 + HG3 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1909 from cnoeabs.peaks (2.01, 2.30, 33.99 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 36 + HG3 GLN 36 OK 100 100 - 100 - 3.0=100 Peak 1910 from cnoeabs.peaks (2.42, 2.30, 33.99 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 36 + HG3 GLN 36 OK 100 100 - 100 - 1.8=100 Peak 1911 from cnoeabs.peaks (2.30, 2.30, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 36 + HG3 GLN 36 OK 100 100 - 100 Peak 1912 from cnoeabs.peaks (6.78, 2.30, 33.99 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 36 + HG3 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 1913 from cnoeabs.peaks (7.63, 2.30, 33.99 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 36 + HG3 GLN 36 OK 100 100 - 100 - 3.5=100 Peak 1914 from cnoeabs.peaks (7.81, 4.23, 58.08 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + HA ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1915 from cnoeabs.peaks (4.23, 4.23, 58.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 37 + HA ILE 37 OK 100 100 - 100 HA LYS 45 + HA LYS 45 OK 61 61 - 100 Peak 1916 from cnoeabs.peaks (1.85, 4.23, 58.08 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1917 from cnoeabs.peaks (0.85, 4.23, 58.08 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1918 from cnoeabs.peaks (1.36, 4.23, 58.08 ppm; 3.80 A): 1 out of 8 assignments used, quality = 0.99: * HG12 ILE 37 + HA ILE 37 OK 99 100 - 99 - 4.0=83, 2.1/1920=33...(17) HB VAL 68 - HA ILE 37 OK 15 99 - 15 - 1932/3.2=5, 154/3.6=3...(6) HG12 ILE 37 - HA LYS 45 lone 6 77 - 7 - 2.1/1920=2, 1936=2, 1.8/1943=2 HB3 LEU 53 - HA ILE 37 lone 5 63 - 8 - 1932/3.2=1, ~5806=1 HG12 ILE 93 - HA ILE 37 lone 4 100 - 4 - 746/3.0=1 HG12 ILE 93 - HA LYS 45 lone 1 77 - 1 - HB VAL 68 - HA LYS 45 lone 1 74 - 1 - HB3 LEU 53 - HA LYS 45 lone 1 41 - 2 - Peak 1919 from cnoeabs.peaks (1.18, 4.23, 58.08 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 - 100 - 4.0=100 Peak 1920 from cnoeabs.peaks (0.35, 4.23, 58.08 ppm; 3.04 A): 2 out of 4 assignments used, quality = 0.86: * QD1 ILE 37 + HA ILE 37 OK 84 100 - 84 - 4.2=39, 2.1/1918=16...(17) HG13 ILE 80 + HA ILE 37 OK 17 90 - 18 - 1934/3.2=4, 156/3.6=4...(6) QD1 ILE 37 - HA LYS 45 lone 6 77 - 7 - 1950=3, 5309/3.6=1, 2.1/1918=1 HG13 ILE 80 - HA LYS 45 lone 1 64 - 2 - Peak 1921 from cnoeabs.peaks (7.81, 1.85, 40.08 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.94: * H ILE 37 + HB ILE 37 OK 91 100 - 91 - 3.9=62, 1928/2.1=22...(15) H THR 99 + HB ILE 37 OK 29 100 - 29 - 1928/2.1=7, 1942/3.0=6...(6) H ILE 37 - HB ILE 16 poor 9 63 - 15 - 744=5, 745/2.1=3, 4.6/152=3 H THR 99 - HB ILE 16 lone 5 63 - 8 - 4.6/7010=4, 466/3.0=1 Peak 1922 from cnoeabs.peaks (4.23, 1.85, 40.08 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1923 from cnoeabs.peaks (1.85, 1.85, 40.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HB ILE 37 OK 100 100 - 100 HB ILE 16 + HB ILE 16 OK 62 62 - 100 Peak 1924 from cnoeabs.peaks (0.85, 1.85, 40.08 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 - 100 - 2.1=100 QG2 ILE 16 + HB ILE 16 OK 47 47 - 100 - 2.1=100 Peak 1925 from cnoeabs.peaks (1.36, 1.85, 40.08 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1926 from cnoeabs.peaks (1.18, 1.85, 40.08 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1927 from cnoeabs.peaks (0.35, 1.85, 40.08 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1928 from cnoeabs.peaks (7.81, 0.85, 19.06 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.93: * H ILE 37 + QG2 ILE 37 OK 90 100 - 90 - 4.0=57, 744/2.1=26...(15) H THR 99 + QG2 ILE 37 OK 28 100 - 28 - 1921/2.1=7, 1942/3.2=6...(6) H ILE 37 - QG2 ILE 16 poor 10 56 - 18 - 745=4, 744/2.1=3...(4) H THR 99 - QG2 ILE 16 lone 5 56 - 8 - 4.6/7017=4, 1921/2.1=1 Peak 1929 from cnoeabs.peaks (4.23, 0.85, 19.06 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1930 from cnoeabs.peaks (1.85, 0.85, 19.06 ppm; 2.82 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 2.1=100 HB ILE 16 + QG2 ILE 16 OK 56 56 - 100 - 2.1=100 Peak 1931 from cnoeabs.peaks (0.85, 0.85, 19.06 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 37 + QG2 ILE 37 OK 100 100 - 100 QG2 ILE 16 - QG2 ILE 16 OK 41 41 - 100 Peak 1932 from cnoeabs.peaks (1.36, 0.85, 19.06 ppm; 3.03 A): 1 out of 8 assignments used, quality = 0.95: * HG12 ILE 37 + QG2 ILE 37 OK 95 100 - 95 - 3.2=86, 2.1/1934=18...(14) HB VAL 68 - QG2 ILE 16 OK 33 54 - 61 - 6120/3.2=13, 7057/3.1=11...(15) HB VAL 68 - QG2 ILE 37 OK 24 99 - 24 - 2.1/6133=3, 2.1/6124=2...(14) HG12 ILE 37 - QG2 ILE 16 poor 9 56 - 16 - 2.1/1952=3, 7057/3.1=2...(5) HB3 LEU 53 - QG2 ILE 37 lone 6 63 - 10 - 1.8/5817=1, 5819=1, 3.1/5825=1 HG12 ILE 93 - QG2 ILE 37 lone 4 100 - 4 - HB3 LEU 53 - QG2 ILE 16 poor 3 28 - 11 - 1.8/5817=2, 3.1/5825=1...(9) HG12 ILE 93 - QG2 ILE 16 lone 3 56 - 5 - ~6849=2, 7057/3.1=1 Peak 1933 from cnoeabs.peaks (1.18, 0.85, 19.06 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 3.2=99, 2.1/1934=20...(19) HB3 LYS 41 - QG2 ILE 37 OK 11 89 - 13 - 3.0/7159=2, 4.8/5286=2, ~5274=1 QG2 THR 15 - QG2 ILE 16 OK 11 37 - 30 - 4046/4.0=9, ~4616=5...(6) HB2 LEU 21 - QG2 ILE 16 OK 11 37 - 29 - 3.1/4819=3, 3.1/4822=3...(12) HG13 ILE 37 - QG2 ILE 16 OK 11 56 - 19 - 2.1/1952=3, ~7057=2...(6) HB3 LEU 21 - QG2 ILE 16 OK 10 34 - 29 - 3.1/4819=3, 3.1/4822=3...(12) HB2 LEU 21 - QG2 ILE 37 poor 9 78 - 11 - 3.1/4819=1 HB3 LEU 21 - QG2 ILE 37 poor 8 73 - 11 - 3.1/4819=1 QG2 THR 15 - QG2 ILE 37 lone 6 78 - 8 - 4.1/620=1, 3.2/4564=1 HG13 ILE 27 - QG2 ILE 37 lone 6 87 - 7 - HG13 ILE 27 - QG2 ILE 16 poor 5 43 - 11 - 4097/4.0=3, ~4579=1 HB3 LYS 41 - QG2 ILE 16 lone 4 44 - 9 - Peak 1934 from cnoeabs.peaks (0.35, 0.85, 19.06 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.97: * QD1 ILE 37 + QG2 ILE 37 OK 97 100 - 97 - 3.3=88, 1920/3.2=18...(23) HG13 ILE 80 - QG2 ILE 37 OK 28 90 - 32 - 2.1/3390=4, 1920/3.2=4...(13) HG13 ILE 80 - QG2 ILE 16 OK 20 45 - 44 - 2.1/3390=7, ~6533=6...(12) QD1 ILE 37 - QG2 ILE 16 OK 13 56 - 23 - 1952=5, 2.1/1933=2...(8) Peak 1935 from cnoeabs.peaks (7.81, 1.36, 29.44 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 37 + HG12 ILE 37 OK 96 100 - 96 - 4.6=67, 747/1.8=34...(11) H THR 99 - HG12 ILE 37 OK 34 100 - 34 - 1942/1.8=11, 1949/2.1=10...(6) Peak 1936 from cnoeabs.peaks (4.23, 1.36, 29.44 ppm; 3.73 A): 1 out of 6 assignments used, quality = 0.98: * HA ILE 37 + HG12 ILE 37 OK 98 100 - 98 - 4.0=79, 1920/2.1=33...(17) HA VAL 68 - HG12 ILE 37 OK 28 83 - 33 - 3.0/908=7, 1943/1.8=7...(10) HA TYR 33 - HG12 ILE 37 OK 15 71 - 21 - 1950/2.1=3, 1943/1.8=3...(10) HA3 GLY 64 - HG12 ILE 37 OK 11 93 - 11 - 1943/1.8=3, 1950/2.1=2...(5) HB THR 99 - HG12 ILE 37 lone 7 76 - 9 - 3.9/1935=6, 1950/2.1=2 HA LYS 45 - HG12 ILE 37 lone 7 87 - 7 - 1920/2.1=2, 1918=2, 1943/1.8=1 Peak 1937 from cnoeabs.peaks (1.85, 1.36, 29.44 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1938 from cnoeabs.peaks (0.85, 1.36, 29.44 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1939 from cnoeabs.peaks (1.36, 1.36, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG12 ILE 37 OK 100 100 - 100 Peak 1940 from cnoeabs.peaks (1.18, 1.36, 29.44 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 1.8=100 Peak 1941 from cnoeabs.peaks (0.35, 1.36, 29.44 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 2.1=100 Peak 1942 from cnoeabs.peaks (7.81, 1.18, 29.44 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 37 + HG13 ILE 37 OK 96 100 - 96 - 4.6=64, 746/1.8=34...(12) H THR 99 - HG13 ILE 37 OK 37 100 - 36 - 1949/2.1=10, 1935/1.8=10...(8) Peak 1943 from cnoeabs.peaks (4.23, 1.18, 29.44 ppm; 3.76 A): 1 out of 6 assignments used, quality = 0.98: * HA ILE 37 + HG13 ILE 37 OK 98 100 - 98 - 4.0=81, 1920/2.1=33...(17) HA VAL 68 - HG13 ILE 37 OK 32 83 - 38 - 3.0/6112=7, 1936/1.8=6...(11) HA TYR 33 - HG13 ILE 37 OK 16 71 - 22 - 1950/2.1=4, 1936/1.8=3...(10) HA3 GLY 64 - HG13 ILE 37 OK 14 93 - 15 - 1950/2.1=3, 1936/1.8=2...(7) HB THR 99 - HG13 ILE 37 lone 7 76 - 10 - 3.9/1942=6, 1950/2.1=2 HA LYS 45 - HG13 ILE 37 lone 7 87 - 7 - 1920/2.1=2, 1918/1.8=2 Peak 1944 from cnoeabs.peaks (1.85, 1.18, 29.44 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 3.0=100 Peak 1945 from cnoeabs.peaks (0.85, 1.18, 29.44 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1946 from cnoeabs.peaks (1.36, 1.18, 29.44 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 1.8=100 Peak 1947 from cnoeabs.peaks (1.18, 1.18, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HG13 ILE 37 OK 100 100 - 100 Peak 1948 from cnoeabs.peaks (0.35, 1.18, 29.44 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 2.1=100 Peak 1949 from cnoeabs.peaks (7.81, 0.35, 11.68 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.97: * H ILE 37 + QD1 ILE 37 OK 97 100 - 97 - 4.5=67, 746/2.1=32...(14) H THR 99 - QD1 ILE 37 OK 37 100 - 36 - 1942/2.1=10, 1935/2.1=9...(9) Peak 1950 from cnoeabs.peaks (4.23, 0.35, 11.68 ppm; 2.84 A): 2 out of 6 assignments used, quality = 0.80: * HA ILE 37 + QD1 ILE 37 OK 77 100 - 77 - 4.2=32, 1918/2.1=14...(16) HA VAL 68 + QD1 ILE 37 OK 14 83 - 17 - 1943/2.1=3, 1936/2.1=3...(7) HA TYR 33 - QD1 ILE 37 poor 9 71 - 13 - 3.0/5277=2, 1943/2.1=2...(6) HA3 GLY 64 - QD1 ILE 37 lone 7 93 - 7 - 1943/2.1=2, 1936/2.1=1 HA LYS 45 - QD1 ILE 37 lone 6 87 - 6 - 1920=2 HB THR 99 - QD1 ILE 37 lone 4 76 - 6 - 3.9/1949=3 Peak 1951 from cnoeabs.peaks (1.85, 0.35, 11.68 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 3.2=100 Peak 1952 from cnoeabs.peaks (0.85, 0.35, 11.68 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.99: * QG2 ILE 37 + QD1 ILE 37 OK 99 100 - 99 - 3.3=95, 3.2/1920=19...(24) QG2 ILE 80 - QD1 ILE 37 OK 34 100 - 34 - 4.0/5310=6, 3.2/3357=5...(15) QG2 ILE 16 - QD1 ILE 37 OK 20 85 - 24 - 1934=4, 1933/2.1=2...(8) QG2 VAL 30 - QD1 ILE 37 OK 11 100 - 11 - QG1 VAL 30 - QD1 ILE 37 OK 11 99 - 11 - 5070/5309=1 QG1 VAL 18 - QD1 ILE 37 lone 6 81 - 8 - ~4584=1, ~4587=1 QD2 LEU 62 - QD1 ILE 37 lone 6 97 - 6 - QD1 ILE 51 - QD1 ILE 37 lone 5 76 - 7 - QG2 THR 42 - QD1 ILE 37 lone 2 68 - 3 - Peak 1953 from cnoeabs.peaks (1.36, 0.35, 11.68 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 2.1=100 Peak 1954 from cnoeabs.peaks (1.18, 0.35, 11.68 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 2.1=100 Peak 1955 from cnoeabs.peaks (0.35, 0.35, 11.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + QD1 ILE 37 OK 100 100 - 100 Peak 1956 from cnoeabs.peaks (7.34, 3.92, 44.58 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 38 + HA2 GLY 38 OK 100 100 - 100 - 3.0=100 Peak 1957 from cnoeabs.peaks (3.92, 3.92, 44.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 38 + HA2 GLY 38 OK 100 100 - 100 Peak 1958 from cnoeabs.peaks (4.08, 3.92, 44.58 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 38 + HA2 GLY 38 OK 100 100 - 100 - 1.8=100 Peak 1959 from cnoeabs.peaks (7.34, 4.08, 44.58 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 38 + HA3 GLY 38 OK 100 100 - 100 - 3.0=100 Peak 1960 from cnoeabs.peaks (3.92, 4.08, 44.58 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 38 + HA3 GLY 38 OK 100 100 - 100 - 1.8=100 Peak 1961 from cnoeabs.peaks (4.08, 4.08, 44.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 38 + HA3 GLY 38 OK 100 100 - 100 Peak 1962 from cnoeabs.peaks (8.12, 4.09, 61.40 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 39 + HA ILE 39 OK 100 100 - 100 - 3.0=100 Peak 1963 from cnoeabs.peaks (4.09, 4.09, 61.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 39 + HA ILE 39 OK 100 100 - 100 Peak 1964 from cnoeabs.peaks (1.82, 4.09, 61.40 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 39 + HA ILE 39 OK 100 100 - 100 - 3.0=100 Peak 1965 from cnoeabs.peaks (0.89, 4.09, 61.40 ppm; 3.02 A): 2 out of 5 assignments used, quality = 0.98: * QG2 ILE 39 + HA ILE 39 OK 95 100 - 95 - 3.2=84, 3.2/1967=14...(22) QD1 ILE 39 + HA ILE 39 OK 54 65 - 83 - 4.1=39, 2.1/1967=18...(18) QD1 ILE 51 - HA ILE 39 lone 8 93 - 9 - 5708/3.6=4, 755/3.0=1 QG1 VAL 18 - HA ILE 39 lone 5 90 - 6 - 4061/3.6=2, 4.1/4150=1 QG2 THR 42 - HA ILE 39 lone 4 97 - 4 - Peak 1966 from cnoeabs.peaks (1.69, 4.09, 61.40 ppm; 3.39 A): 2 out of 18 assignments used, quality = 0.97: * HG12 ILE 39 + HA ILE 39 OK 95 100 - 95 - 3.8=71, 1.8/1967=25...(17) HB ILE 40 + HA ILE 39 OK 50 97 - 51 - 3.9/4150=16, 3.0/5364=10...(11) HD3 LYS 35 - HA ILE 39 lone 7 99 - 7 - 3.0/1967=2, 1980/3.2=1 HD3 LYS 61 - HA ILE 39 lone 6 97 - 6 - ~5363=2, 756/3.0=1 HD2 LYS 61 - HA ILE 39 lone 6 97 - 6 - ~5363=2, 756/3.0=1 HD2 LYS 77 - HA ILE 39 lone 5 97 - 5 - 4.6/5364=1, 756/3.0=1, ~5363=1 QB ALA 79 - HA ILE 39 lone 5 73 - 7 - 756/3.0=1, ~1976=1...(5) HD2 LYS 94 - HA ILE 39 lone 4 92 - 5 - 761/3.6=1 HD3 LYS 94 - HA ILE 39 lone 4 92 - 5 - 761/3.6=1 HD3 LYS 44 - HA ILE 39 lone 3 97 - 3 - HD2 LYS 44 - HA ILE 39 lone 3 97 - 3 - HD3 LYS 45 - HA ILE 39 lone 2 98 - 2 - HD2 LYS 45 - HA ILE 39 lone 2 97 - 2 - HD3 LYS 63 - HA ILE 39 lone 1 97 - 1 - HG2 ARG 57 - HA ILE 39 lone 1 97 - 1 - HG3 ARG 57 - HA ILE 39 lone 1 96 - 1 - HB ILE 80 - HA ILE 39 lone 1 63 - 2 - HB2 LEU 53 - HA ILE 39 lone 0 63 - 1 - Peak 1967 from cnoeabs.peaks (1.28, 4.09, 61.40 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.98: * HG13 ILE 39 + HA ILE 39 OK 98 100 - 98 - 3.8=84, 1981/3.2=23...(17) HG12 ILE 16 - HA ILE 39 OK 14 100 - 14 - 757/3.0=5, 165/3.6=3...(5) HG3 LYS 35 - HA ILE 39 lone 8 85 - 9 - 1981/3.2=2, 165/3.6=2...(5) QB ALA 98 - HA ILE 39 lone 6 85 - 7 - 757/3.0=2, 1981/3.2=1, 165/3.6=1 QG2 THR 26 - HA ILE 39 lone 2 83 - 3 - Peak 1968 from cnoeabs.peaks (0.91, 4.09, 61.40 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.65: QG2 ILE 39 + HA ILE 39 OK 65 65 - 100 - 3.2=100 Reference assignment not found: QD1 ILE 39 - HA ILE 39 Peak 1969 from cnoeabs.peaks (8.12, 1.82, 38.41 ppm; 3.34 A): 3 out of 5 assignments used, quality = 0.95: * H ILE 39 + HB ILE 39 OK 92 100 - 92 - 3.9=61, 757/2.9=19...(18) H GLU 23 + HB ILE 39 OK 26 100 - 26 - 1976/2.1=6, 1983/2.9=5...(6) H ALA 79 + HB ILE 39 OK 17 100 - 17 - 1976/2.1=4, 1983/2.9=4...(5) H VAL 68 - HB ILE 39 lone 3 57 - 6 - 1990/2.9=1 H ASN 13 - HB ILE 39 lone 3 76 - 4 - Peak 1970 from cnoeabs.peaks (4.09, 1.82, 38.41 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 39 + HB ILE 39 OK 100 100 - 100 - 3.0=100 Peak 1971 from cnoeabs.peaks (1.82, 1.82, 38.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 39 + HB ILE 39 OK 100 100 - 100 Peak 1972 from cnoeabs.peaks (0.89, 1.82, 38.41 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 39 + HB ILE 39 OK 100 100 - 100 - 2.1=100 Peak 1973 from cnoeabs.peaks (1.69, 1.82, 38.41 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 39 + HB ILE 39 OK 100 100 - 100 - 2.9=100 Peak 1974 from cnoeabs.peaks (1.28, 1.82, 38.41 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 39 + HB ILE 39 OK 100 100 - 100 - 2.9=100 Peak 1975 from cnoeabs.peaks (0.91, 1.82, 38.41 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.65: QG2 ILE 39 + HB ILE 39 OK 65 65 - 100 - 2.1=100 Reference assignment not found: QD1 ILE 39 - HB ILE 39 Peak 1976 from cnoeabs.peaks (8.12, 0.89, 17.20 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.97: * H ILE 39 + QG2 ILE 39 OK 97 100 - 97 - 4.0=79, 754/2.1=34...(18) H GLU 23 - QG2 ILE 39 OK 34 100 - 34 - 1969/2.1=7, 1997/3.0=6...(9) H ALA 79 - QG2 ILE 39 OK 22 100 - 22 - 1969/2.1=5, 1983/3.2=4...(7) H VAL 68 - QG2 ILE 39 lone 5 57 - 9 - 1990/3.2=1, 160/3.8=1 H ASN 13 - QG2 ILE 39 lone 4 76 - 5 - Peak 1977 from cnoeabs.peaks (4.09, 0.89, 17.20 ppm; 2.94 A): 2 out of 8 assignments used, quality = 0.97: * HA ILE 39 + QG2 ILE 39 OK 93 100 - 93 - 3.2=78, 1967/3.2=13...(22) HA3 GLY 38 + QG2 ILE 39 OK 53 99 - 53 - 4149/4.0=11, 5349=7...(14) HA3 GLY 22 - QG2 ILE 39 poor 10 83 - 11 - 3.6/1976=3, 1.8/5366=2...(4) HA GLU 23 - QG2 ILE 39 poor 10 68 - 14 - 3.0/1976=4, ~1969=2...(8) HB THR 67 - QG2 ILE 39 lone 8 95 - 9 - 6093/3.2=1, 1998/3.0=1 HA LYS 41 - QG2 ILE 39 poor 7 60 - 13 - 5459=2, 3.6/779=2...(4) HB3 SER 29 - QG2 ILE 39 lone 7 97 - 7 - 161/3.8=2 HB2 SER 96 - QG2 ILE 39 lone 1 83 - 1 - Peak 1978 from cnoeabs.peaks (1.82, 0.89, 17.20 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 39 + QG2 ILE 39 OK 100 100 - 100 - 2.1=100 Peak 1979 from cnoeabs.peaks (0.89, 0.89, 17.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 39 + QG2 ILE 39 OK 100 100 - 100 Peak 1980 from cnoeabs.peaks (1.69, 0.89, 17.20 ppm; 3.13 A): 1 out of 18 assignments used, quality = 0.98: * HG12 ILE 39 + QG2 ILE 39 OK 98 100 - 98 - 3.2=93, 1.8/1981=27...(15) HB ILE 40 - QG2 ILE 39 OK 43 97 - 44 - 3.9/4152=11, 3.0/5366=8...(13) HD3 LYS 35 - QG2 ILE 39 lone 9 99 - 9 - 5.1/5375=3, 3.0/1981=2 QB ALA 79 - QG2 ILE 39 poor 8 73 - 10 - 2.9/1976=3, ~1969=1 HD3 LYS 94 - QG2 ILE 39 lone 4 92 - 4 - HD2 LYS 94 - QG2 ILE 39 lone 4 92 - 4 - HD3 LYS 61 - QG2 ILE 39 lone 4 97 - 4 - HD2 LYS 61 - QG2 ILE 39 lone 4 97 - 4 - HD3 LYS 44 - QG2 ILE 39 lone 4 97 - 4 - HD2 LYS 44 - QG2 ILE 39 lone 4 97 - 4 - HD2 LYS 77 - QG2 ILE 39 lone 3 97 - 3 - 4.6/5366=1 HD3 LYS 45 - QG2 ILE 39 lone 2 98 - 2 - HD2 LYS 45 - QG2 ILE 39 lone 2 97 - 2 - HD3 LYS 63 - QG2 ILE 39 lone 1 97 - 1 - HG2 ARG 57 - QG2 ILE 39 lone 1 97 - 1 - HG3 ARG 57 - QG2 ILE 39 lone 1 96 - 1 - HB ILE 80 - QG2 ILE 39 lone 1 63 - 2 - HB2 LEU 53 - QG2 ILE 39 lone 1 63 - 2 - Peak 1981 from cnoeabs.peaks (1.28, 0.89, 17.20 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.98: * HG13 ILE 39 + QG2 ILE 39 OK 98 100 - 98 - 3.2=96, 1.8/1980=18...(14) HG3 LYS 35 - QG2 ILE 39 poor 9 85 - 11 - 3.9/5375=4, 165/3.8=1...(4) HG12 ILE 16 - QG2 ILE 39 lone 8 100 - 8 - 757/4.0=3, 1967/3.2=2, 165/3.8=2 QB ALA 98 - QG2 ILE 39 lone 5 85 - 6 - 757/4.0=1 QG2 THR 26 - QG2 ILE 39 lone 2 83 - 2 - Peak 1982 from cnoeabs.peaks (0.91, 0.89, 17.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: QG2 ILE 39 + QG2 ILE 39 OK 65 65 - 100 Reference assignment not found: QD1 ILE 39 - QG2 ILE 39 Peak 1983 from cnoeabs.peaks (8.12, 1.69, 27.57 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.93: * H ILE 39 + HG12 ILE 39 OK 87 100 - 88 - 4.6=37, 757/1.8=25...(17) H GLU 23 + HG12 ILE 39 OK 26 100 - 26 - 1990/1.8=6, 1997/2.1=6...(7) H ALA 79 + HG12 ILE 39 OK 19 100 - 19 - 1990/1.8=4, 1997/2.1=3...(5) H VAL 68 - HG12 ILE 39 lone 3 57 - 6 - 1990/1.8=1 H ASN 13 - HG12 ILE 39 lone 3 76 - 4 - Peak 1984 from cnoeabs.peaks (4.09, 1.69, 27.57 ppm; 3.43 A): 2 out of 8 assignments used, quality = 0.99: * HA ILE 39 + HG12 ILE 39 OK 96 100 - 96 - 3.8=74, 1967/1.8=26...(17) HA3 GLY 38 + HG12 ILE 39 OK 65 99 - 66 - 3.6/1983=15, 1991/1.8=11...(13) HA GLU 23 - HG12 ILE 39 OK 14 68 - 20 - 3.0/1983=5, ~1990=3...(8) HA3 GLY 22 - HG12 ILE 39 OK 11 83 - 13 - 3.6/1983=4, 1991/1.8=2...(6) HB THR 67 - HG12 ILE 39 OK 10 95 - 11 - 6093/1.8=3, 1998/2.1=2...(5) HB3 SER 29 - HG12 ILE 39 lone 7 97 - 7 - 1991/1.8=2, 1998/2.1=1...(4) HA LYS 41 - HG12 ILE 39 lone 5 60 - 9 - 5459/3.2=2, 3.0/169=2 HB2 SER 96 - HG12 ILE 39 lone 1 83 - 1 - Peak 1985 from cnoeabs.peaks (1.82, 1.69, 27.57 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 39 + HG12 ILE 39 OK 100 100 - 100 - 2.9=100 Peak 1986 from cnoeabs.peaks (0.89, 1.69, 27.57 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.65: QD1 ILE 39 + HG12 ILE 39 OK 65 65 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 39 - HG12 ILE 39 Peak 1987 from cnoeabs.peaks (1.69, 1.69, 27.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 39 + HG12 ILE 39 OK 100 100 - 100 Peak 1988 from cnoeabs.peaks (1.28, 1.69, 27.57 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 39 + HG12 ILE 39 OK 100 100 - 100 - 1.8=100 Peak 1989 from cnoeabs.peaks (0.91, 1.69, 27.57 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 39 + HG12 ILE 39 OK 100 100 - 100 - 2.1=100 Peak 1990 from cnoeabs.peaks (8.12, 1.28, 27.57 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.94: * H ILE 39 + HG13 ILE 39 OK 90 100 - 90 - 4.6=42, 754/2.9=26...(15) H GLU 23 + HG13 ILE 39 OK 28 100 - 28 - 1983/1.8=7, 1997/2.1=6...(8) H ALA 79 + HG13 ILE 39 OK 17 100 - 17 - 1983/1.8=5, 1997/2.1=4...(4) H VAL 68 - HG13 ILE 39 poor 6 57 - 11 - 4.1/6091=1, 3.6/6095=1...(4) H ASN 13 - HG13 ILE 39 lone 4 76 - 5 - Peak 1991 from cnoeabs.peaks (4.09, 1.28, 27.57 ppm; 3.39 A): 2 out of 8 assignments used, quality = 0.98: * HA ILE 39 + HG13 ILE 39 OK 95 100 - 95 - 3.8=71, 3.2/1981=21...(16) HA3 GLY 38 + HG13 ILE 39 OK 64 99 - 64 - 3.6/757=16, 1984/1.8=11...(13) HB THR 67 - HG13 ILE 39 OK 14 95 - 14 - 2.1/6091=3, 6093=2...(6) HA GLU 23 - HG13 ILE 39 OK 13 68 - 19 - 3.0/1990=5, ~1983=3...(8) HA3 GLY 22 - HG13 ILE 39 OK 10 83 - 12 - 3.6/1990=4, 1984/1.8=2...(6) HB3 SER 29 - HG13 ILE 39 lone 9 97 - 9 - 4.0/5022=1, 1998/2.1=1...(5) HA LYS 41 - HG13 ILE 39 lone 5 60 - 8 - 5459/3.2=2, ~169=1, 1998/2.1=1 HB2 SER 96 - HG13 ILE 39 lone 1 83 - 1 - Peak 1992 from cnoeabs.peaks (1.82, 1.28, 27.57 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 39 + HG13 ILE 39 OK 100 100 - 100 - 2.9=100 Peak 1993 from cnoeabs.peaks (0.89, 1.28, 27.57 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.65: QD1 ILE 39 + HG13 ILE 39 OK 65 65 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 39 - HG13 ILE 39 Peak 1994 from cnoeabs.peaks (1.69, 1.28, 27.57 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 39 + HG13 ILE 39 OK 100 100 - 100 - 1.8=100 Peak 1995 from cnoeabs.peaks (1.28, 1.28, 27.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 39 + HG13 ILE 39 OK 100 100 - 100 Peak 1996 from cnoeabs.peaks (0.91, 1.28, 27.57 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 39 + HG13 ILE 39 OK 100 100 - 100 - 2.1=100 Peak 1997 from cnoeabs.peaks (8.12, 0.91, 12.01 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.95: * H ILE 39 + QD1 ILE 39 OK 93 100 - 93 - 5.0=43, 757/2.1=28...(16) H GLU 23 + QD1 ILE 39 OK 32 100 - 32 - 1983/2.1=8, 1990/2.1=7...(9) H ALA 79 - QD1 ILE 39 OK 20 100 - 20 - 1983/2.1=5, 1990/2.1=4...(4) H VAL 68 - QD1 ILE 39 lone 5 57 - 8 - 1990/2.1=2, 4.4/1998=1 H ASN 13 - QD1 ILE 39 lone 4 76 - 5 - 1990/2.1=1 Peak 1998 from cnoeabs.peaks (4.09, 0.91, 12.01 ppm; 3.40 A): 2 out of 8 assignments used, quality = 0.98: * HA ILE 39 + QD1 ILE 39 OK 94 100 - 94 - 4.1=56, 1967/2.1=24...(19) HA3 GLY 38 + QD1 ILE 39 OK 61 99 - 62 - 3.6/758=13, 1984/2.1=10...(14) HA GLU 23 - QD1 ILE 39 OK 13 68 - 19 - 3.0/1997=5, ~1990=3...(8) HB THR 67 - QD1 ILE 39 OK 11 95 - 11 - 6093/2.1=3, 1984/2.1=2...(4) HA3 GLY 22 - QD1 ILE 39 OK 10 83 - 12 - 3.6/1997=4, 1984/2.1=2...(6) HB3 SER 29 - QD1 ILE 39 lone 7 97 - 7 - 5034/2.1=1, 1984/2.1=1...(4) HA LYS 41 - QD1 ILE 39 poor 7 60 - 11 - 5459/3.0=2, 3.6/5381=1 HB2 SER 96 - QD1 ILE 39 lone 1 83 - 1 - Peak 1999 from cnoeabs.peaks (1.82, 0.91, 12.01 ppm; 3.22 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 39 + QD1 ILE 39 OK 100 100 - 100 - 3.2=99, ~1981=13...(14) HB2 PRO 74 - QD1 ILE 39 OK 13 92 - 15 - 1.8/5359=3, ~5357=2...(6) HB2 GLN 48 - QD1 ILE 39 lone 7 90 - 8 - 3.0/5617=2, 3.0/5615=1 HB2 LYS 94 - QD1 ILE 39 lone 4 100 - 4 - HB ILE 93 - QD1 ILE 39 lone 3 93 - 3 - 6844/3.0=1 HB2 LYS 61 - QD1 ILE 39 lone 2 90 - 2 - HG LEU 62 - QD1 ILE 39 lone 1 97 - 1 - HB3 GLU 65 - QD1 ILE 39 lone 1 100 - 1 - HG2 GLU 87 - QD1 ILE 39 lone 1 78 - 1 - Peak 2000 from cnoeabs.peaks (0.89, 0.91, 12.01 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: QD1 ILE 39 + QD1 ILE 39 OK 65 65 - 100 Reference assignment not found: QG2 ILE 39 - QD1 ILE 39 Peak 2001 from cnoeabs.peaks (1.69, 0.91, 12.01 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 39 + QD1 ILE 39 OK 100 100 - 100 - 2.1=100 Peak 2002 from cnoeabs.peaks (1.28, 0.91, 12.01 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 39 + QD1 ILE 39 OK 100 100 - 100 - 2.1=100 Peak 2003 from cnoeabs.peaks (0.91, 0.91, 12.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 39 + QD1 ILE 39 OK 100 100 - 100 Peak 2004 from cnoeabs.peaks (8.71, 3.79, 61.01 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2005 from cnoeabs.peaks (3.79, 3.79, 61.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + HA ILE 40 OK 100 100 - 100 Peak 2006 from cnoeabs.peaks (1.68, 3.79, 61.01 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2007 from cnoeabs.peaks (0.82, 3.79, 61.01 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2008 from cnoeabs.peaks (1.64, 3.79, 61.01 ppm; 3.73 A): 1 out of 9 assignments used, quality = 1.00: * HG12 ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.8=95, 1.8/2009=38...(22) HB2 MET 50 - HA ILE 40 OK 41 97 - 43 - 5696/3.6=17, 5663/3.2=7...(12) HD2 LYS 41 - HA ILE 40 OK 33 93 - 35 - 3.8/5432=11, 5.8/168=11...(7) HD3 LYS 41 - HA ILE 40 OK 33 93 - 35 - 3.8/5432=11, 5.8/168=11...(7) HB VAL 18 - HA ILE 40 OK 11 100 - 11 - ~4061=2, 763/3.0=2...(4) QB ALA 79 - HA ILE 40 OK 10 63 - 16 - 6494/5448=3, 3.7/1192=3...(4) HG12 ILE 27 - HA ILE 40 poor 9 87 - 10 - 763/3.0=2, ~4930=2...(4) HG3 GLN 19 - HA ILE 40 lone 3 99 - 3 - 1424/3.0=1 HB3 LYS 61 - HA ILE 40 lone 2 87 - 3 - Peak 2009 from cnoeabs.peaks (0.53, 3.79, 61.01 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.99: * HG13 ILE 40 + HA ILE 40 OK 99 100 - 99 - 3.8=91, 764/3.0=28...(23) Peak 2010 from cnoeabs.peaks (0.75, 3.79, 61.01 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.99: * QD1 ILE 40 + HA ILE 40 OK 99 100 - 99 - 4.2=87, 2.1/2009=39...(25) QG2 ILE 93 - HA ILE 40 OK 10 63 - 16 - 765/3.0=4, 2024/3.2=3...(5) QD1 LEU 53 - HA ILE 40 lone 6 83 - 7 - 2024/3.2=2, 765/3.0=2 Peak 2011 from cnoeabs.peaks (8.71, 1.68, 37.87 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 40 + HB ILE 40 OK 89 100 - 89 - 3.9=62, 764/3.0=23...(13) H ALA 31 + HB ILE 40 OK 70 99 - 70 - 2018/2.1=14, 5082/3.2=11...(20) H GLN 19 - HB ILE 40 lone 10 95 - 10 - 2039/3.2=2, 2018/2.1=2...(4) Peak 2012 from cnoeabs.peaks (3.79, 1.68, 37.87 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2013 from cnoeabs.peaks (1.68, 1.68, 37.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + HB ILE 40 OK 100 100 - 100 Peak 2014 from cnoeabs.peaks (0.82, 1.68, 37.87 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + HB ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2015 from cnoeabs.peaks (1.64, 1.68, 37.87 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2016 from cnoeabs.peaks (0.53, 1.68, 37.87 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2017 from cnoeabs.peaks (0.75, 1.68, 37.87 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2018 from cnoeabs.peaks (8.71, 0.82, 16.23 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 40 + QG2 ILE 40 OK 88 100 - 88 - 4.0=57, 764/3.2=22...(14) H ALA 31 + QG2 ILE 40 OK 72 99 - 72 - 2011/2.1=13, 5082/3.3=11...(21) H GLN 19 - QG2 ILE 40 OK 11 95 - 11 - 2039/3.3=2, 42/3.2=2...(5) Peak 2019 from cnoeabs.peaks (3.79, 0.82, 16.23 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2020 from cnoeabs.peaks (1.68, 0.82, 16.23 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2021 from cnoeabs.peaks (0.82, 0.82, 16.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + QG2 ILE 40 OK 100 100 - 100 Peak 2022 from cnoeabs.peaks (1.64, 0.82, 16.23 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2023 from cnoeabs.peaks (0.53, 0.82, 16.23 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2024 from cnoeabs.peaks (0.75, 0.82, 16.23 ppm; 2.69 A): 1 out of 3 assignments used, quality = 0.80: * QD1 ILE 40 + QG2 ILE 40 OK 80 100 - 80 - 3.3=57, 2041/2.1=11...(18) QG2 ILE 93 - QG2 ILE 40 poor 7 63 - 11 - 765/4.0=1, 2010/3.2=1 QD1 LEU 53 - QG2 ILE 40 lone 5 83 - 6 - 6132/5451=1 Peak 2025 from cnoeabs.peaks (8.71, 1.64, 28.46 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.98: * H ILE 40 + HG12 ILE 40 OK 89 100 - 89 - 4.6=47, 764/1.8=34...(11) H ALA 31 + HG12 ILE 40 OK 78 99 - 79 - 5082/2.1=15, 2032/1.8=14...(19) H ALA 31 - HG12 ILE 27 OK 26 56 - 47 - 1148/3.8=15, 5083/2.1=12...(9) H GLN 19 - HG12 ILE 40 OK 16 95 - 16 - 42=4, 2039/2.1=3...(5) H ILE 40 - HG12 ILE 27 poor 8 58 - 14 - 4410/3.8=4, 4930/3.2=4, 763=3 H GLN 19 - HG12 ILE 27 lone 4 51 - 9 - 4410/3.8=2, 642=2, 4930/3.2=1 Peak 2026 from cnoeabs.peaks (3.79, 1.64, 28.46 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 3.8=100 Peak 2027 from cnoeabs.peaks (1.68, 1.64, 28.46 ppm; 2.40 A): 2 out of 35 assignments used, quality = 0.74: * HB ILE 40 + HG12 ILE 40 OK 70 100 - 70 - 3.0=50, 2041/2.1=9...(11) HD3 LYS 35 + HG12 ILE 40 OK 14 100 - 14 - 3.6/7076=6, 2041/2.1=3...(4) HG12 ILE 39 - HG12 ILE 40 lone 8 97 - 9 - 4153/4.6=2, 2041/2.1=2...(4) QB ALA 79 - HG12 ILE 40 lone 7 93 - 8 - 6494/5452=2, 2041/2.1=2 HG12 ILE 27 - HG12 ILE 40 lone 7 73 - 10 - ~4975=3, 2041/2.1=2...(5) HB ILE 40 - HG12 ILE 27 lone 3 58 - 5 - ~4975=2, ~4979=1 QB ALA 79 - HG12 ILE 27 lone 3 50 - 6 - 6475/2.1=1 HD3 LYS 44 - HG12 ILE 40 lone 3 100 - 3 - HD2 LYS 44 - HG12 ILE 40 lone 3 100 - 3 - HD3 LYS 94 - HG12 ILE 40 lone 2 100 - 2 - HD2 LYS 94 - HG12 ILE 40 lone 2 100 - 2 - HD2 LYS 61 - HG12 ILE 40 lone 1 100 - 1 - HD3 LYS 61 - HG12 ILE 40 lone 1 100 - 1 - HD2 LYS 44 - HG12 ILE 27 lone 1 58 - 2 - HD3 LYS 44 - HG12 ILE 27 lone 1 58 - 2 - HD3 LYS 45 - HG12 ILE 40 lone 1 85 - 1 - HD3 LYS 63 - HG12 ILE 40 lone 1 100 - 1 - HD2 LYS 77 - HG12 ILE 40 lone 1 83 - 1 - HD2 LYS 45 - HG12 ILE 40 lone 1 81 - 1 - HG3 ARG 57 - HG12 ILE 40 lone 0 100 - 0 - HG2 ARG 57 - HG12 ILE 40 lone 0 100 - 0 - HD2 LYS 94 - HG12 ILE 27 lone 0 57 - 1 - HD3 LYS 94 - HG12 ILE 27 lone 0 57 - 1 - HB3 LYS 61 - HG12 ILE 40 lone 0 73 - 1 - HD3 LYS 61 - HG12 ILE 27 lone 0 58 - 0 - HD2 LYS 61 - HG12 ILE 27 lone 0 58 - 0 - HG12 ILE 39 - HG12 ILE 27 lone 0 54 - 0 - HD3 LYS 63 - HG12 ILE 27 lone 0 58 - 0 - HD3 LYS 35 - HG12 ILE 27 lone 0 58 - 0 - HG3 ARG 57 - HG12 ILE 27 lone 0 58 - 0 - HG2 ARG 57 - HG12 ILE 27 lone 0 58 - 0 - HB3 LYS 61 - HG12 ILE 27 lone 0 36 - 0 - HD2 LYS 77 - HG12 ILE 27 lone 0 42 - 0 - HD3 LYS 45 - HG12 ILE 27 lone 0 43 - 0 - HD2 LYS 45 - HG12 ILE 27 lone 0 40 - 0 - Peak 2028 from cnoeabs.peaks (0.82, 1.64, 28.46 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2029 from cnoeabs.peaks (1.64, 1.64, 28.46 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 40 + HG12 ILE 40 OK 100 100 - 100 HG12 ILE 27 - HG12 ILE 27 OK 45 45 - 100 Peak 2030 from cnoeabs.peaks (0.53, 1.64, 28.46 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 1.8=100 Peak 2031 from cnoeabs.peaks (0.75, 1.64, 28.46 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2032 from cnoeabs.peaks (8.71, 0.53, 28.46 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 40 + HG13 ILE 40 OK 94 100 - 95 - 4.6=59, 3.0/2009=30...(14) H ALA 31 + HG13 ILE 40 OK 83 99 - 84 - 5082/2.1=18, ~5089=15...(18) H GLN 19 - HG13 ILE 40 OK 12 95 - 12 - 2039/2.1=4, 42/1.8=3...(4) Peak 2033 from cnoeabs.peaks (3.79, 0.53, 28.46 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 3.8=100 Peak 2034 from cnoeabs.peaks (1.68, 0.53, 28.46 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 3.0=100 Peak 2035 from cnoeabs.peaks (0.82, 0.53, 28.46 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 3.2=100 Peak 2036 from cnoeabs.peaks (1.64, 0.53, 28.46 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 1.8=100 Peak 2037 from cnoeabs.peaks (0.53, 0.53, 28.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + HG13 ILE 40 OK 100 100 - 100 Peak 2038 from cnoeabs.peaks (0.75, 0.53, 28.46 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2039 from cnoeabs.peaks (8.71, 0.75, 13.50 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 40 + QD1 ILE 40 OK 90 100 - 90 - 4.7=41, 764/2.1=30...(16) H ALA 31 + QD1 ILE 40 OK 88 99 - 89 - 3.0/5089=26, 2.9/5091=24...(31) H GLN 19 - QD1 ILE 40 OK 19 95 - 19 - 42/2.1=3, 4.1/7162=2...(6) Peak 2040 from cnoeabs.peaks (3.79, 0.75, 13.50 ppm; 3.71 A): 1 out of 7 assignments used, quality = 0.97: * HA ILE 40 + QD1 ILE 40 OK 97 100 - 97 - 4.2=71, 2009/2.1=35...(24) HA2 GLY 22 - QD1 ILE 40 OK 23 90 - 25 - 3.0/5399=5, 1.8/5427=4...(9) HD2 PRO 92 - QD1 ILE 40 OK 16 100 - 16 - 4.8/6776=3, 2.3/5445=2...(7) HA LYS 77 - QD1 ILE 40 lone 8 100 - 8 - 6418/3.3=1, 4859/5403=1 HA SER 89 - QD1 ILE 40 lone 6 98 - 7 - ~6726=2, 3.0/5447=1 HA2 GLY 60 - QD1 ILE 40 lone 2 71 - 2 - HB3 SER 11 - QD1 ILE 40 lone 1 100 - 1 - Peak 2041 from cnoeabs.peaks (1.68, 0.75, 13.50 ppm; 2.87 A): 2 out of 18 assignments used, quality = 0.93: * HB ILE 40 + QD1 ILE 40 OK 90 100 - 90 - 3.2=70, 2.1/2024=28...(14) HD3 LYS 35 + QD1 ILE 40 OK 31 100 - 31 - 3.6/5444=9, 5.1/5430=7...(6) HG12 ILE 39 - QD1 ILE 40 OK 23 97 - 24 - 3.2/7162=7, 4153/4.7=4...(6) HG12 ILE 27 - QD1 ILE 40 OK 19 73 - 26 - 1.8/4975=7, 2.1/4979=6...(6) QB ALA 79 - QD1 ILE 40 OK 16 93 - 17 - 6494/5455=4, 6465/5405=2...(4) HD2 LYS 44 - QD1 ILE 40 lone 6 100 - 6 - HD3 LYS 44 - QD1 ILE 40 lone 6 100 - 6 - HD2 LYS 94 - QD1 ILE 40 lone 5 100 - 5 - HD3 LYS 94 - QD1 ILE 40 lone 5 100 - 5 - HD2 LYS 61 - QD1 ILE 40 lone 3 100 - 3 - HD3 LYS 61 - QD1 ILE 40 lone 3 100 - 3 - HD3 LYS 63 - QD1 ILE 40 lone 3 100 - 3 - HD2 LYS 77 - QD1 ILE 40 lone 2 83 - 2 - HD3 LYS 45 - QD1 ILE 40 lone 2 85 - 2 - HD2 LYS 45 - QD1 ILE 40 lone 2 81 - 2 - HG3 ARG 57 - QD1 ILE 40 lone 1 100 - 1 - HG2 ARG 57 - QD1 ILE 40 lone 1 100 - 1 - HB3 LYS 61 - QD1 ILE 40 lone 1 73 - 1 - Peak 2042 from cnoeabs.peaks (0.82, 0.75, 13.50 ppm; 2.57 A): 3 out of 8 assignments used, quality = 0.82: * QG2 ILE 40 + QD1 ILE 40 OK 75 100 - 75 - 3.3=49, 2.1/2041=10...(18) QG1 VAL 30 + QD1 ILE 40 OK 17 71 - 25 - 4.2/2039=4, 2.1/7100=4...(7) QG2 ILE 16 + QD1 ILE 40 OK 13 93 - 14 - 4625/5403=2, 3.1/5454=2 QD2 LEU 62 - QD1 ILE 40 poor 10 78 - 12 - 7100=4, 2.1/7099=3 QG2 VAL 25 - QD1 ILE 40 lone 9 100 - 8 - 3.9/5405=2 QG1 VAL 25 - QD1 ILE 40 lone 6 73 - 8 - 3.9/5405=2 QD1 ILE 93 - QD1 ILE 40 lone 5 63 - 8 - 2.1/5441=1 QG2 ILE 80 - QD1 ILE 40 lone 5 63 - 8 - Peak 2043 from cnoeabs.peaks (1.64, 0.75, 13.50 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2044 from cnoeabs.peaks (0.53, 0.75, 13.50 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 2.1=100 Peak 2045 from cnoeabs.peaks (0.75, 0.75, 13.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + QD1 ILE 40 OK 100 100 - 100 Peak 2046 from cnoeabs.peaks (8.68, 4.06, 57.23 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 41 + HA LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2047 from cnoeabs.peaks (4.06, 4.06, 57.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 41 + HA LYS 41 OK 100 100 - 100 Peak 2048 from cnoeabs.peaks (1.47, 4.06, 57.23 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 41 + HA LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2049 from cnoeabs.peaks (1.20, 4.06, 57.23 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 41 + HA LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2050 from cnoeabs.peaks (1.40, 4.06, 57.23 ppm; 3.68 A): 1 out of 7 assignments used, quality = 0.98: * HG2 LYS 41 + HA LYS 41 OK 98 100 - 98 - 4.0=78, 1.8/2051=27...(30) HG3 LYS 45 - HA LYS 41 OK 25 100 - 26 - 1.8/2051=6, 770/3.0=5...(8) QB ALA 78 - HA LYS 41 OK 12 100 - 12 - 6454/3.0=4, 178/3.6=3...(4) HD3 LYS 86 - HA LYS 41 poor 10 73 - 14 - 3.0/2051=2, ~5466=1...(5) HG2 LYS 61 - HA LYS 41 lone 8 76 - 10 - 3.9/2054=2, 770/3.0=1 HG3 LYS 61 - HA LYS 41 lone 7 73 - 10 - 3.9/2054=2, 770/3.0=1 HB3 LEU 53 - HA LYS 41 lone 5 98 - 4 - Peak 2051 from cnoeabs.peaks (1.51, 4.06, 57.23 ppm; 3.17 A): 2 out of 9 assignments used, quality = 0.93: * HG3 LYS 41 + HA LYS 41 OK 91 100 - 91 - 4.0=50, 2061/3.0=19...(29) HG2 LYS 45 + HA LYS 41 OK 22 99 - 22 - 2087=5, 1.8/2050=4...(7) HG2 LYS 86 - HA LYS 41 lone 9 95 - 10 - 2061/3.0=2, 179/3.6=1...(6) HG13 ILE 93 - HA LYS 41 lone 7 95 - 7 - 2087=2, 771/3.0=1, 179/3.6=1 HG2 LYS 94 - HA LYS 41 lone 6 100 - 6 - 771/3.0=1, 2061/3.0=1 HG LEU 53 - HA LYS 41 lone 4 98 - 4 - HB3 LYS 94 - HA LYS 41 lone 2 60 - 4 - HB3 LEU 62 - HA LYS 41 lone 2 87 - 2 - HB3 LYS 63 - HA LYS 41 lone 1 81 - 1 - Peak 2052 from cnoeabs.peaks (1.63, 4.06, 57.23 ppm; 4.07 A): 4 out of 7 assignments used, quality = 1.00: * HD2 LYS 41 + HA LYS 41 OK 98 100 - 98 - 5.4=43, 3.0/2051=24...(38) HD3 LYS 41 + HA LYS 41 OK 98 100 - 98 - 5.4=43, 3.0/2051=24...(38) HG12 ILE 40 + HA LYS 41 OK 67 93 - 72 - ~172=19, 4159/3.0=16...(17) HB2 MET 50 + HA LYS 41 OK 59 73 - 80 - 5696/3.0=16, 2.9/7081=13...(22) HB VAL 18 - HA LYS 41 lone 10 97 - 10 - 2.1/5459=4, 773/3.0=1 QB ALA 76 - HA LYS 41 lone 5 68 - 8 - ~5474=1 HG3 GLN 19 - HA LYS 41 lone 2 81 - 2 - Peak 2053 from cnoeabs.peaks (1.63, 4.06, 57.23 ppm; 4.07 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 41 + HA LYS 41 OK 98 100 - 98 - 5.4=43, 3.0/2051=24...(38) * HD3 LYS 41 + HA LYS 41 OK 98 100 - 98 - 5.4=43, 3.0/2051=24...(38) HG12 ILE 40 + HA LYS 41 OK 67 93 - 72 - ~172=19, 4159/3.0=16...(17) HB2 MET 50 + HA LYS 41 OK 59 73 - 80 - 5696/3.0=16, 2.9/7081=13...(22) HB VAL 18 - HA LYS 41 lone 10 97 - 10 - 2.1/5459=4, 773/3.0=1 QB ALA 76 - HA LYS 41 lone 5 68 - 8 - ~5474=1 HG3 GLN 19 - HA LYS 41 lone 2 81 - 2 - Peak 2054 from cnoeabs.peaks (3.05, 4.06, 57.23 ppm; 4.82 A): 1 out of 5 assignments used, quality = 0.98: * HE2 LYS 41 + HA LYS 41 OK 98 100 - 98 - 6.2=47, 1.8/2127=27...(25) HE2 LYS 61 - HA LYS 41 OK 16 87 - 19 - 2064/3.0=5, 2119/3.0=3...(7) HB2 SER 75 - HA LYS 41 OK 13 95 - 14 - 6361/4.0=4, 6351/3.6=4 HB2 ASP 56 - HA LYS 41 lone 4 83 - 5 - 5874/5929=2 HE2 LYS 77 - HA LYS 41 lone 4 78 - 5 - Peak 2056 from cnoeabs.peaks (8.68, 1.47, 33.42 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 4.0=100 H ALA 31 - HB2 LYS 41 OK 26 65 - 40 - 2066/1.8=7, 2086/3.0=4...(17) Peak 2057 from cnoeabs.peaks (4.06, 1.47, 33.42 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2058 from cnoeabs.peaks (1.47, 1.47, 33.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 41 + HB2 LYS 41 OK 100 100 - 100 Peak 2059 from cnoeabs.peaks (1.20, 1.47, 33.42 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 1.8=100 Peak 2060 from cnoeabs.peaks (1.40, 1.47, 33.42 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2061 from cnoeabs.peaks (1.51, 1.47, 33.42 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.99: * HG3 LYS 41 + HB2 LYS 41 OK 99 100 - 99 - 3.0=96, 1.8/2078=20...(22) HG2 LYS 45 - HB2 LYS 41 OK 15 99 - 16 - 2051/3.0=3, 2088=3...(6) HG2 LYS 86 - HB2 LYS 41 OK 10 95 - 11 - 2.8/5466=1, 2051/3.0=1, ~5464=1 HG2 LYS 94 - HB2 LYS 41 lone 6 100 - 6 - HG13 ILE 93 - HB2 LYS 41 lone 5 95 - 5 - 2051/3.0=1 HG LEU 53 - HB2 LYS 41 lone 3 98 - 3 - HB3 LYS 94 - HB2 LYS 41 lone 3 60 - 4 - HB3 LEU 62 - HB2 LYS 41 lone 2 87 - 2 - HB3 LYS 63 - HB2 LYS 41 lone 1 81 - 1 - Peak 2062 from cnoeabs.peaks (1.63, 1.47, 33.42 ppm; 3.68 A): 3 out of 7 assignments used, quality = 1.00: * HD2 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.8=94, 3.0/2061=24...(34) HD3 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.8=94, 3.0/2061=24...(34) HB2 MET 50 + HB2 LYS 41 OK 59 73 - 81 - 5661=13, 5662/1.8=12...(28) HG12 ILE 40 - HB2 LYS 41 OK 43 93 - 46 - 4159/4.0=10, 2.1/5440=6...(11) HB VAL 18 - HB2 LYS 41 lone 9 97 - 9 - ~5459=1, ~4723=1, 2073/1.8=1 QB ALA 76 - HB2 LYS 41 poor 7 68 - 10 - 2.1/5474=1, ~6368=1 HG3 GLN 19 - HB2 LYS 41 lone 2 81 - 2 - Peak 2063 from cnoeabs.peaks (1.63, 1.47, 33.42 ppm; 3.68 A): 3 out of 7 assignments used, quality = 1.00: HD2 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.8=94, 3.0/2061=24...(34) * HD3 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 3.8=94, 3.0/2061=24...(34) HB2 MET 50 + HB2 LYS 41 OK 59 73 - 81 - 5661=13, 5662/1.8=12...(28) HG12 ILE 40 - HB2 LYS 41 OK 43 93 - 46 - 4159/4.0=10, 2.1/5440=6...(11) HB VAL 18 - HB2 LYS 41 lone 9 97 - 9 - ~5459=1, ~4723=1, 2073/1.8=1 QB ALA 76 - HB2 LYS 41 poor 7 68 - 10 - 2.1/5474=1, ~6368=1 HG3 GLN 19 - HB2 LYS 41 lone 2 81 - 2 - Peak 2064 from cnoeabs.peaks (3.05, 1.47, 33.42 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 4.8=93, 1.8/2128=31...(28) HE2 LYS 61 - HB2 LYS 41 OK 20 87 - 22 - 2054/3.0=4, 2119/1.8=3...(6) HB2 SER 75 - HB2 LYS 41 OK 14 95 - 15 - 6361/3.0=5, 6351/4.6=3...(4) HE2 LYS 77 - HB2 LYS 41 lone 3 78 - 4 - HB2 ASP 56 - HB2 LYS 41 lone 3 83 - 4 - 2054/3.0=1 Peak 2065 from cnoeabs.peaks (3.09, 1.47, 33.42 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 41 + HB2 LYS 41 OK 100 100 - 100 - 4.8=100 Peak 2066 from cnoeabs.peaks (8.68, 1.20, 33.42 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 41 + HB3 LYS 41 OK 98 100 - 98 - 4.0=86, 2056/1.8=28...(22) H ALA 31 - HB3 LYS 41 OK 21 65 - 33 - 2056/1.8=7, 3.6/7084=5...(13) Peak 2067 from cnoeabs.peaks (4.06, 1.20, 33.42 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2068 from cnoeabs.peaks (1.47, 1.20, 33.42 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 1.8=100 Peak 2069 from cnoeabs.peaks (1.20, 1.20, 33.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 41 + HB3 LYS 41 OK 100 100 - 100 Peak 2070 from cnoeabs.peaks (1.40, 1.20, 33.42 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2071 from cnoeabs.peaks (1.51, 1.20, 33.42 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2072 from cnoeabs.peaks (1.63, 1.20, 33.42 ppm; 3.73 A): 4 out of 7 assignments used, quality = 1.00: * HD2 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.8=98, 3.0/2129=16...(38) HD3 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.8=98, 3.0/2129=16...(38) HB2 MET 50 + HB3 LYS 41 OK 61 73 - 83 - 1.8/5665=16, 5662=14...(27) HG12 ILE 40 + HB3 LYS 41 OK 46 93 - 50 - 3.8/5432=11, 4159/4.0=10...(13) HB VAL 18 - HB3 LYS 41 lone 9 97 - 9 - ~5459=1, 2063/1.8=1 QB ALA 76 - HB3 LYS 41 poor 7 68 - 11 - ~6368=1, ~5474=1 HG3 GLN 19 - HB3 LYS 41 lone 2 81 - 2 - Peak 2073 from cnoeabs.peaks (1.63, 1.20, 33.42 ppm; 3.73 A): 4 out of 7 assignments used, quality = 1.00: HD2 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.8=98, 3.0/2129=16...(38) * HD3 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 3.8=98, 3.0/2129=16...(38) HB2 MET 50 + HB3 LYS 41 OK 61 73 - 83 - 1.8/5665=16, 5662=14...(27) HG12 ILE 40 + HB3 LYS 41 OK 46 93 - 50 - 3.8/5432=11, 4159/4.0=10...(13) HB VAL 18 - HB3 LYS 41 lone 9 97 - 9 - ~5459=1, 2063/1.8=1 QB ALA 76 - HB3 LYS 41 poor 7 68 - 11 - ~6368=1, ~5474=1 HG3 GLN 19 - HB3 LYS 41 lone 2 81 - 2 - Peak 2074 from cnoeabs.peaks (3.05, 1.20, 33.42 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 4.8=100 Peak 2075 from cnoeabs.peaks (3.09, 1.20, 33.42 ppm; 4.77 A): 1 out of 6 assignments used, quality = 1.00: * HE3 LYS 41 + HB3 LYS 41 OK 100 100 - 100 - 4.8=100 HB3 TRP 82 - HB3 LYS 41 OK 19 100 - 19 - 6569/3.0=6, 1.8/6568=3...(5) HB2 TYR 33 - HB3 LYS 41 lone 6 100 - 6 - 4425/7084=2 HE3 LYS 77 - HB3 LYS 41 lone 4 100 - 4 - HB2 ASP 56 - HB3 LYS 41 lone 3 78 - 4 - HE2 LYS 77 - HB3 LYS 41 lone 3 83 - 3 - Peak 2076 from cnoeabs.peaks (8.68, 1.40, 24.75 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.98: * H LYS 41 + HG2 LYS 41 OK 98 100 - 98 - 4.9=78, 769/3.0=33...(22) H LYS 41 - HG3 LYS 45 OK 34 88 - 39 - 770=9, 771/1.8=7...(10) H ALA 31 - HG2 LYS 41 OK 24 65 - 36 - 2056/3.0=8, 2066/3.0=7...(14) H LYS 41 - HG2 LYS 61 OK 10 60 - 17 - 770=3, 770/1.8=2...(7) H LYS 41 - HG3 LYS 61 poor 9 57 - 16 - 770=3, 770/1.8=3...(6) H ALA 31 - HG3 LYS 45 poor 8 51 - 16 - ~5095=3, 2.9/2078=2...(7) H ALA 31 - HG2 LYS 61 lone 1 32 - 3 - H ALA 31 - HG3 LYS 61 lone 1 30 - 3 - Peak 2077 from cnoeabs.peaks (4.06, 1.40, 24.75 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 41 + HG2 LYS 41 OK 100 100 - 100 - 4.0=100 Peak 2078 from cnoeabs.peaks (1.47, 1.40, 24.75 ppm; 2.40 A): 2 out of 32 assignments used, quality = 0.81: * HB2 LYS 41 + HG2 LYS 41 OK 79 100 - 79 - 3.0=53, 2061/1.8=15...(21) QB ALA 31 + HG2 LYS 41 OK 11 99 - 11 - 2088/1.8=2, 768/4.9=1 HB2 LYS 41 - HG3 LYS 45 poor 9 88 - 10 - 2061/1.8=2, 3.0/2050=2 HG2 LYS 44 - HG3 LYS 45 lone 8 87 - 9 - 4.9/791=2, 2088/1.8=2 QB ALA 31 - HG3 LYS 45 lone 8 86 - 9 - 5095/3.0=2, 5095/3.0=2 HB ILE 51 - HG2 LYS 41 lone 6 96 - 7 - 2088/1.8=1 HG2 LYS 44 - HG2 LYS 61 lone 5 59 - 9 - 2198/3.0=1, 2198/3.0=1 HG2 LYS 44 - HG3 LYS 61 lone 5 56 - 9 - 2198/3.0=1, 2198/3.0=1 HG2 LYS 86 - HG2 LYS 41 lone 4 68 - 5 - HG2 LYS 44 - HG2 LYS 41 lone 3 100 - 3 - HG3 LYS 94 - HG3 LYS 45 lone 3 49 - 6 - HB2 LYS 41 - HG2 LYS 61 lone 2 60 - 4 - HB2 LYS 41 - HG3 LYS 61 lone 2 57 - 4 - HG3 LYS 94 - HG2 LYS 41 lone 2 63 - 3 - QG2 THR 67 - HG2 LYS 41 lone 2 89 - 2 - HG12 ILE 80 - HG2 LYS 41 lone 1 89 - 2 - HG3 LYS 94 - HG2 LYS 61 lone 1 30 - 5 - HG3 LYS 94 - HG3 LYS 61 lone 1 29 - 5 - HG12 ILE 80 - HG3 LYS 45 lone 1 72 - 1 - QB ALA 31 - HG2 LYS 61 lone 1 58 - 1 - QB ALA 31 - HG3 LYS 61 lone 1 55 - 1 - HB ILE 51 - HG3 LYS 45 lone 1 80 - 1 - HG2 LYS 86 - HG3 LYS 45 lone 1 53 - 1 - HB ILE 51 - HG2 LYS 61 lone 1 53 - 1 - HB ILE 51 - HG3 LYS 61 lone 1 50 - 1 - QG2 THR 67 - HG2 LYS 61 lone 0 47 - 1 - HG2 LYS 86 - HG2 LYS 61 lone 0 34 - 1 - QG2 THR 67 - HG3 LYS 61 lone 0 44 - 1 - HG2 LYS 86 - HG3 LYS 61 lone 0 32 - 1 - QG2 THR 67 - HG3 LYS 45 lone 0 72 - 0 - HG12 ILE 80 - HG2 LYS 61 lone 0 47 - 0 - HG12 ILE 80 - HG3 LYS 61 lone 0 44 - 0 - Peak 2079 from cnoeabs.peaks (1.20, 1.40, 24.75 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 41 + HG2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2080 from cnoeabs.peaks (1.40, 1.40, 24.75 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 41 + HG2 LYS 41 OK 100 100 - 100 HG3 LYS 45 + HG3 LYS 45 OK 86 86 - 100 HG2 LYS 61 - HG2 LYS 61 OK 38 38 - 100 HG3 LYS 61 - HG3 LYS 61 OK 35 35 - 100 Peak 2081 from cnoeabs.peaks (1.51, 1.40, 24.75 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 41 + HG2 LYS 41 OK 100 100 - 100 - 1.8=100 HG2 LYS 45 + HG3 LYS 45 OK 85 85 - 100 - 1.8=100 Peak 2082 from cnoeabs.peaks (1.63, 1.40, 24.75 ppm; 2.86 A): 2 out of 28 assignments used, quality = 1.00: HD3 LYS 41 + HG2 LYS 41 OK 97 100 - 97 - 3.0=90, 3.0/2130=11...(27) * HD2 LYS 41 + HG2 LYS 41 OK 97 100 - 97 - 3.0=90, 3.0/2130=11...(27) HB2 MET 50 - HG2 LYS 41 OK 36 73 - 49 - 5662/3.0=6, 4.1/5672=5...(21) HG12 ILE 40 - HG2 LYS 41 OK 17 93 - 18 - 4159/4.9=4, 2073/3.0=2...(8) HD3 LYS 41 - HG3 LYS 45 lone 7 88 - 8 - 3.0/2130=2, 5.4/2050=1...(5) HD2 LYS 41 - HG3 LYS 45 lone 7 88 - 8 - 3.0/2130=2, 5.4/2050=1...(5) QB ALA 76 - HG2 LYS 41 lone 4 68 - 6 - 2.9/6368=1 HB VAL 18 - HG2 LYS 41 lone 3 97 - 3 - HD2 LYS 41 - HG2 LYS 61 lone 3 60 - 5 - HD3 LYS 41 - HG2 LYS 61 lone 3 60 - 5 - HD2 LYS 41 - HG3 LYS 61 lone 3 57 - 4 - HD3 LYS 41 - HG3 LYS 61 lone 3 57 - 4 - HB2 MET 50 - HG3 LYS 45 lone 2 58 - 3 - QB ALA 76 - HG3 LYS 45 lone 2 53 - 3 - HG12 ILE 40 - HG3 LYS 45 lone 1 77 - 2 - HB2 MET 50 - HG2 LYS 61 lone 1 37 - 4 - HB2 MET 50 - HG3 LYS 61 lone 1 35 - 4 - QB ALA 76 - HG2 LYS 61 lone 1 34 - 3 - QB ALA 76 - HG3 LYS 61 lone 1 32 - 3 - HG12 ILE 40 - HG2 LYS 61 lone 1 51 - 1 - HG3 GLN 19 - HG2 LYS 41 lone 1 81 - 1 - HG12 ILE 40 - HG3 LYS 61 lone 1 48 - 1 - HG3 GLN 19 - HG3 LYS 45 lone 1 64 - 1 - HB VAL 18 - HG3 LYS 45 lone 1 81 - 1 - HB VAL 18 - HG2 LYS 61 lone 0 54 - 1 - HB VAL 18 - HG3 LYS 61 lone 0 51 - 1 - HG3 GLN 19 - HG2 LYS 61 lone 0 41 - 0 - HG3 GLN 19 - HG3 LYS 61 lone 0 39 - 0 - Peak 2083 from cnoeabs.peaks (1.63, 1.40, 24.75 ppm; 2.86 A): 2 out of 28 assignments used, quality = 1.00: * HD3 LYS 41 + HG2 LYS 41 OK 97 100 - 97 - 3.0=90, 3.0/2130=11...(27) HD2 LYS 41 + HG2 LYS 41 OK 97 100 - 97 - 3.0=90, 3.0/2130=11...(27) HB2 MET 50 - HG2 LYS 41 OK 36 73 - 49 - 5662/3.0=6, 4.1/5672=5...(21) HG12 ILE 40 - HG2 LYS 41 OK 17 93 - 18 - 4159/4.9=4, 2073/3.0=2...(8) HD3 LYS 41 - HG3 LYS 45 lone 7 88 - 8 - 3.0/2130=2, 5.4/2050=1...(5) HD2 LYS 41 - HG3 LYS 45 lone 7 88 - 8 - 3.0/2130=2, 5.4/2050=1...(5) QB ALA 76 - HG2 LYS 41 lone 4 68 - 6 - 2.9/6368=1 HB VAL 18 - HG2 LYS 41 lone 3 97 - 3 - HD2 LYS 41 - HG2 LYS 61 lone 3 60 - 5 - HD3 LYS 41 - HG2 LYS 61 lone 3 60 - 5 - HD2 LYS 41 - HG3 LYS 61 lone 3 57 - 4 - HD3 LYS 41 - HG3 LYS 61 lone 3 57 - 4 - HB2 MET 50 - HG3 LYS 45 lone 2 58 - 3 - QB ALA 76 - HG3 LYS 45 lone 2 53 - 3 - HG12 ILE 40 - HG3 LYS 45 lone 1 77 - 2 - HB2 MET 50 - HG2 LYS 61 lone 1 37 - 4 - HB2 MET 50 - HG3 LYS 61 lone 1 35 - 4 - QB ALA 76 - HG2 LYS 61 lone 1 34 - 3 - QB ALA 76 - HG3 LYS 61 lone 1 32 - 3 - HG12 ILE 40 - HG2 LYS 61 lone 1 51 - 1 - HG3 GLN 19 - HG2 LYS 41 lone 1 81 - 1 - HG12 ILE 40 - HG3 LYS 61 lone 1 48 - 1 - HG3 GLN 19 - HG3 LYS 45 lone 1 64 - 1 - HB VAL 18 - HG3 LYS 45 lone 1 81 - 1 - HB VAL 18 - HG2 LYS 61 lone 0 54 - 1 - HB VAL 18 - HG3 LYS 61 lone 0 51 - 1 - HG3 GLN 19 - HG2 LYS 61 lone 0 41 - 0 - HG3 GLN 19 - HG3 LYS 61 lone 0 39 - 0 - Peak 2084 from cnoeabs.peaks (3.05, 1.40, 24.75 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 41 + HG2 LYS 41 OK 100 100 - 100 - 3.8=100 Peak 2085 from cnoeabs.peaks (3.09, 1.40, 24.75 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 41 + HG2 LYS 41 OK 100 100 - 100 - 3.8=100 Peak 2086 from cnoeabs.peaks (8.68, 1.51, 24.75 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.96: * H LYS 41 + HG3 LYS 41 OK 96 100 - 96 - 4.9=65, 769/3.0=31...(20) H LYS 41 - HG2 LYS 45 OK 28 86 - 34 - 771=8, 770/1.8=7...(8) H ALA 31 - HG3 LYS 41 OK 21 65 - 33 - 2056/3.0=7, 2066/3.0=6...(12) H LYS 41 - HG13 ILE 93 poor 10 81 - 11 - 771=3, 3.0/2087=2...(5) H ALA 31 - HG2 LYS 45 poor 7 50 - 14 - ~5095=2, 2.9/2088=2...(7) H ALA 31 - HG13 ILE 93 lone 4 46 - 10 - 5082/3.2=3, ~5089=1, ~5091=1 Peak 2087 from cnoeabs.peaks (4.06, 1.51, 24.75 ppm; 3.89 A): 1 out of 12 assignments used, quality = 1.00: * HA LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 4.0=92, 3.0/2061=26...(30) HA LYS 41 - HG2 LYS 45 OK 27 86 - 32 - 2051=7, 2050/1.8=6...(9) HA LYS 41 - HG13 ILE 93 poor 9 81 - 11 - 2051=2, 3.0/771=2...(4) HA3 GLY 38 - HG3 LYS 41 lone 7 78 - 9 - 5344/3.8=2, 2127/3.8=2...(4) HA ILE 39 - HG3 LYS 41 lone 4 60 - 7 - 6251/6261=1, 2127/3.8=1 HB3 SER 29 - HG3 LYS 41 lone 3 85 - 4 - HA3 GLY 38 - HG2 LYS 45 lone 1 61 - 2 - HA ILE 39 - HG13 ILE 93 lone 1 42 - 3 - HA3 GLY 38 - HG13 ILE 93 lone 1 56 - 2 - HA ILE 39 - HG2 LYS 45 lone 1 45 - 2 - HB3 SER 29 - HG2 LYS 45 lone 1 67 - 1 - HB3 SER 29 - HG13 ILE 93 lone 0 62 - 1 - Peak 2088 from cnoeabs.peaks (1.47, 1.51, 24.75 ppm; 2.40 A): 2 out of 24 assignments used, quality = 0.81: * HB2 LYS 41 + HG3 LYS 41 OK 78 100 - 78 - 3.0=53, 2078/1.8=15...(20) QB ALA 31 + HG3 LYS 41 OK 10 99 - 10 - 2078/1.8=2, 768/4.9=1...(4) HB2 LYS 41 - HG2 LYS 45 poor 9 86 - 11 - 2061=3, 3.0/2051=2...(4) HG2 LYS 44 - HG2 LYS 45 poor 9 85 - 10 - 4.9/790=3, 2078/1.8=2 QB ALA 31 - HG2 LYS 45 lone 8 84 - 9 - 5095/3.0=2, 5095/3.0=2 HB ILE 51 - HG3 LYS 41 lone 7 96 - 7 - 2078/1.8=1 HB ILE 51 - HG13 ILE 93 lone 6 73 - 8 - 2.1/7093=2, ~3840=2, ~6852=1 HG2 LYS 86 - HG3 LYS 41 lone 5 68 - 7 - HG2 LYS 86 - HG13 ILE 93 lone 4 48 - 9 - ~6841=3, 4.0/3556=1 HG3 LYS 94 - HG2 LYS 45 lone 4 47 - 8 - 2.9/3858=1, 2.9/3868=1 HG12 ILE 80 - HG13 ILE 93 lone 3 66 - 5 - ~6850=2, ~6843=1, ~6848=1 HG3 LYS 94 - HG13 ILE 93 lone 3 44 - 8 - 4.0/3848=2, 4.9/1034=2...(4) HG2 LYS 44 - HG3 LYS 41 lone 3 100 - 3 - HB2 LYS 41 - HG13 ILE 93 lone 3 81 - 3 - 2061=1 HG3 LYS 94 - HG3 LYS 41 lone 2 63 - 4 - QB ALA 31 - HG13 ILE 93 lone 2 79 - 3 - 5091/3.2=1 QG2 THR 67 - HG3 LYS 41 lone 2 89 - 2 - HG12 ILE 80 - HG3 LYS 41 lone 1 89 - 1 - HG2 LYS 86 - HG2 LYS 45 lone 1 52 - 2 - HG12 ILE 80 - HG2 LYS 45 lone 1 70 - 1 - HB ILE 51 - HG2 LYS 45 lone 1 78 - 1 - HG2 LYS 44 - HG13 ILE 93 lone 0 80 - 0 - QG2 THR 67 - HG13 ILE 93 lone 0 66 - 0 - QG2 THR 67 - HG2 LYS 45 lone 0 70 - 0 - Peak 2089 from cnoeabs.peaks (1.20, 1.51, 24.75 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2090 from cnoeabs.peaks (1.40, 1.51, 24.75 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 1.8=100 HG3 LYS 45 + HG2 LYS 45 OK 85 85 - 100 - 1.8=100 Peak 2091 from cnoeabs.peaks (1.51, 1.51, 24.75 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 41 + HG3 LYS 41 OK 100 100 - 100 HG2 LYS 45 + HG2 LYS 45 OK 83 83 - 100 HG13 ILE 93 + HG13 ILE 93 OK 72 72 - 100 Peak 2092 from cnoeabs.peaks (1.63, 1.51, 24.75 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.0=100 * HD2 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2093 from cnoeabs.peaks (1.63, 1.51, 24.75 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.0=100 HD2 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2094 from cnoeabs.peaks (3.05, 1.51, 24.75 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.8=100 Peak 2095 from cnoeabs.peaks (3.09, 1.51, 24.75 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 41 + HG3 LYS 41 OK 100 100 - 100 - 3.8=100 Peak 2096 from cnoeabs.peaks (8.68, 1.63, 29.58 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 41 + HD2 LYS 41 OK 98 100 - 98 - 5.8=59, 769/3.8=32...(26) H LYS 41 + HD3 LYS 41 OK 98 100 - 98 - 5.8=59, 769/3.8=32...(26) H ALA 31 - HD2 LYS 41 OK 28 65 - 43 - 2056/3.8=7, 2066/3.8=7...(13) H ALA 31 - HD3 LYS 41 OK 28 65 - 43 - 2056/3.8=7, 2066/3.8=7...(13) Peak 2097 from cnoeabs.peaks (4.06, 1.63, 29.58 ppm; 4.81 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 5.4=71, 2051/3.0=29...(39) HA LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 5.4=71, 2051/3.0=29...(39) HA3 GLY 38 - HD3 LYS 41 OK 13 78 - 16 - 5344/3.0=4, ~5339=4...(4) HA3 GLY 38 - HD2 LYS 41 OK 13 78 - 16 - 5344/3.0=4, ~5339=4...(4) HA ILE 39 - HD3 LYS 41 poor 10 60 - 16 - ~5363=4, 3.6/763=3...(7) HA ILE 39 - HD2 LYS 41 poor 10 60 - 16 - ~5363=4, 3.6/763=3...(7) HB3 SER 29 - HD2 LYS 41 lone 4 85 - 5 - HB3 SER 29 - HD3 LYS 41 lone 4 85 - 5 - Peak 2098 from cnoeabs.peaks (1.47, 1.63, 29.58 ppm; 3.25 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 41 + HD2 LYS 41 OK 96 100 - 96 - 3.8=65, 2061/3.0=20...(33) HB2 LYS 41 + HD3 LYS 41 OK 96 100 - 96 - 3.8=65, 2061/3.0=20...(33) QB ALA 31 - HD2 LYS 41 OK 21 99 - 22 - 2128/3.0=3, 2118/3.0=2...(10) QB ALA 31 - HD3 LYS 41 OK 21 99 - 22 - 2128/3.0=3, 2118/3.0=2...(10) HB ILE 51 - HD2 LYS 41 poor 10 96 - 10 - 2128/3.0=1, 2078/3.0=1...(5) HB ILE 51 - HD3 LYS 41 poor 10 96 - 10 - 2128/3.0=1, 2078/3.0=1...(5) HG2 LYS 44 - HD2 LYS 41 lone 6 100 - 5 - HG2 LYS 44 - HD3 LYS 41 lone 6 100 - 5 - HG2 LYS 86 - HD2 LYS 41 lone 4 68 - 6 - 2088/3.0=1 HG2 LYS 86 - HD3 LYS 41 lone 4 68 - 6 - 2088/3.0=1 QG2 THR 67 - HD3 LYS 41 lone 4 89 - 5 - QG2 THR 67 - HD2 LYS 41 lone 4 89 - 5 - HG3 LYS 94 - HD3 LYS 41 lone 3 63 - 5 - HG3 LYS 94 - HD2 LYS 41 lone 3 63 - 5 - HG12 ILE 80 - HD2 LYS 41 lone 3 89 - 3 - HG12 ILE 80 - HD3 LYS 41 lone 3 89 - 3 - Peak 2099 from cnoeabs.peaks (1.20, 1.63, 29.58 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.8=99, 2129/3.0=16...(39) HB3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.8=99, 2129/3.0=16...(39) HG13 ILE 37 - HD3 LYS 41 OK 19 89 - 21 - 2129/3.0=4, 2119/3.0=4...(7) HG13 ILE 37 - HD2 LYS 41 OK 19 89 - 21 - 2129/3.0=4, 2119/3.0=4...(7) HG13 ILE 16 - HD2 LYS 41 poor 8 76 - 10 - 4.6/4577=2, 769/5.8=1...(4) HG13 ILE 16 - HD3 LYS 41 poor 8 76 - 10 - 4.6/4577=2, 769/5.8=1...(4) QG2 THR 59 - HD3 LYS 41 poor 7 63 - 11 - 2129/3.0=2, ~5487=1...(5) QG2 THR 59 - HD2 LYS 41 poor 7 63 - 11 - 2129/3.0=2, ~5487=1...(5) Peak 2100 from cnoeabs.peaks (1.40, 1.63, 29.58 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 * HG2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2101 from cnoeabs.peaks (1.51, 1.63, 29.58 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 * HG3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2102 from cnoeabs.peaks (1.63, 1.63, 29.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 * HD2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 Peak 2103 from cnoeabs.peaks (1.63, 1.63, 29.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 HD2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 Reference assignment not found: HD3 LYS 41 - HD2 LYS 41 Peak 2104 from cnoeabs.peaks (3.05, 1.63, 29.58 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 * HE2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2105 from cnoeabs.peaks (3.09, 1.63, 29.58 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 * HE3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2106 from cnoeabs.peaks (8.68, 1.63, 29.58 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: H LYS 41 + HD2 LYS 41 OK 98 100 - 98 - 5.8=59, 769/3.8=32...(26) * H LYS 41 + HD3 LYS 41 OK 98 100 - 98 - 5.8=59, 769/3.8=32...(26) H ALA 31 - HD2 LYS 41 OK 28 65 - 43 - 2056/3.8=7, 2066/3.8=7...(13) H ALA 31 - HD3 LYS 41 OK 28 65 - 43 - 2056/3.8=7, 2066/3.8=7...(13) Peak 2107 from cnoeabs.peaks (4.06, 1.63, 29.58 ppm; 4.81 A): 2 out of 8 assignments used, quality = 1.00: HA LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 5.4=71, 2051/3.0=29...(39) * HA LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 5.4=71, 2051/3.0=29...(39) HA3 GLY 38 - HD3 LYS 41 OK 13 78 - 16 - 5344/3.0=4, ~5339=4...(4) HA3 GLY 38 - HD2 LYS 41 OK 13 78 - 16 - 5344/3.0=4, ~5339=4...(4) HA ILE 39 - HD3 LYS 41 poor 10 60 - 16 - ~5363=4, 3.6/763=3...(7) HA ILE 39 - HD2 LYS 41 poor 10 60 - 16 - ~5363=4, 3.6/763=3...(7) HB3 SER 29 - HD2 LYS 41 lone 4 85 - 5 - HB3 SER 29 - HD3 LYS 41 lone 4 85 - 5 - Peak 2108 from cnoeabs.peaks (1.47, 1.63, 29.58 ppm; 3.25 A): 2 out of 16 assignments used, quality = 1.00: HB2 LYS 41 + HD2 LYS 41 OK 96 100 - 96 - 3.8=65, 2061/3.0=20...(33) * HB2 LYS 41 + HD3 LYS 41 OK 96 100 - 96 - 3.8=65, 2061/3.0=20...(33) QB ALA 31 - HD2 LYS 41 OK 21 99 - 22 - 2128/3.0=3, 2118/3.0=2...(10) QB ALA 31 - HD3 LYS 41 OK 21 99 - 22 - 2128/3.0=3, 2118/3.0=2...(10) HB ILE 51 - HD2 LYS 41 poor 10 96 - 10 - 2128/3.0=1, 2078/3.0=1...(5) HB ILE 51 - HD3 LYS 41 poor 10 96 - 10 - 2128/3.0=1, 2078/3.0=1...(5) HG2 LYS 44 - HD2 LYS 41 lone 6 100 - 5 - HG2 LYS 44 - HD3 LYS 41 lone 6 100 - 5 - HG2 LYS 86 - HD2 LYS 41 lone 4 68 - 6 - 2088/3.0=1 HG2 LYS 86 - HD3 LYS 41 lone 4 68 - 6 - 2088/3.0=1 QG2 THR 67 - HD3 LYS 41 lone 4 89 - 5 - QG2 THR 67 - HD2 LYS 41 lone 4 89 - 5 - HG3 LYS 94 - HD3 LYS 41 lone 3 63 - 5 - HG3 LYS 94 - HD2 LYS 41 lone 3 63 - 5 - HG12 ILE 80 - HD2 LYS 41 lone 3 89 - 3 - HG12 ILE 80 - HD3 LYS 41 lone 3 89 - 3 - Peak 2109 from cnoeabs.peaks (1.20, 1.63, 29.58 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.8=99, 2129/3.0=16...(39) * HB3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.8=99, 2129/3.0=16...(39) HG13 ILE 37 - HD3 LYS 41 OK 19 89 - 21 - 2129/3.0=4, 2119/3.0=4...(7) HG13 ILE 37 - HD2 LYS 41 OK 19 89 - 21 - 2129/3.0=4, 2119/3.0=4...(7) HG13 ILE 16 - HD2 LYS 41 poor 8 76 - 10 - 4.6/4577=2, 769/5.8=1...(4) HG13 ILE 16 - HD3 LYS 41 poor 8 76 - 10 - 4.6/4577=2, 769/5.8=1...(4) QG2 THR 59 - HD3 LYS 41 poor 7 63 - 11 - 2129/3.0=2, ~5487=1...(5) QG2 THR 59 - HD2 LYS 41 poor 7 63 - 11 - 2129/3.0=2, ~5487=1...(5) Peak 2110 from cnoeabs.peaks (1.40, 1.63, 29.58 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 HG2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2111 from cnoeabs.peaks (1.51, 1.63, 29.58 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 HG3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2112 from cnoeabs.peaks (1.63, 1.63, 29.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 HD2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 Reference assignment not found: HD2 LYS 41 - HD3 LYS 41 Peak 2113 from cnoeabs.peaks (1.63, 1.63, 29.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 HD2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 Peak 2114 from cnoeabs.peaks (3.05, 1.63, 29.58 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 HE2 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2115 from cnoeabs.peaks (3.09, 1.63, 29.58 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 41 + HD3 LYS 41 OK 100 100 - 100 - 3.0=100 HE3 LYS 41 + HD2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2118 from cnoeabs.peaks (1.47, 3.05, 41.56 ppm; 3.64 A): 1 out of 16 assignments used, quality = 0.95: * HB2 LYS 41 + HE2 LYS 41 OK 95 100 - 95 - 4.8=44, 2128/1.8=22...(28) QB ALA 31 - HE2 LYS 41 OK 19 99 - 19 - 2128/1.8=5, 2108/3.0=2...(9) HG2 LYS 44 - HE2 LYS 61 OK 17 55 - 31 - 2200/1.8=3, 2198/2.9=2...(9) HB ILE 51 - HE2 LYS 41 poor 10 96 - 10 - 2128/1.8=2, 2078/3.8=1...(5) HB2 LYS 41 - HE2 LYS 61 poor 8 56 - 14 - 2064=3, 3.0/2054=2...(4) HG2 LYS 44 - HE2 LYS 41 lone 7 100 - 6 - 2128/1.8=2 HG3 LYS 94 - HE2 LYS 61 poor 5 28 - 19 - 3891/2.9=1, 3890/2.9=1 HG2 LYS 86 - HE2 LYS 41 lone 4 68 - 6 - 2128/1.8=1 QG2 THR 67 - HE2 LYS 41 lone 4 89 - 4 - HG12 ILE 80 - HE2 LYS 41 lone 3 89 - 3 - HG3 LYS 94 - HE2 LYS 41 lone 3 63 - 4 - ~2131=1 QB ALA 31 - HE2 LYS 61 lone 2 54 - 4 - HB ILE 51 - HE2 LYS 61 lone 1 49 - 2 - HG2 LYS 86 - HE2 LYS 61 lone 1 31 - 3 - QG2 THR 67 - HE2 LYS 61 lone 1 44 - 1 - HG12 ILE 80 - HE2 LYS 61 lone 0 44 - 1 - Peak 2119 from cnoeabs.peaks (1.20, 3.05, 41.56 ppm; 4.37 A): 1 out of 8 assignments used, quality = 0.99: * HB3 LYS 41 + HE2 LYS 41 OK 99 100 - 99 - 4.8=76, 2129/1.8=27...(27) HG13 ILE 37 - HE2 LYS 41 OK 26 89 - 29 - 2129/1.8=7, 3.2/5286=7...(7) HB3 LYS 41 - HE2 LYS 61 OK 12 56 - 21 - 1.8/2064=5, 3.0/2054=3...(5) QG2 THR 59 - HE2 LYS 61 OK 10 28 - 36 - ~5913=7, 5916/1.8=6...(11) QG2 THR 59 - HE2 LYS 41 poor 9 63 - 15 - 2129/1.8=4, 3.2/5488=3...(4) HG13 ILE 37 - HE2 LYS 61 poor 8 44 - 18 - 3.2/5286=5, 5271/2.9=2...(6) HG13 ILE 16 - HE2 LYS 41 lone 7 76 - 9 - 2129/1.8=2, 3.2/5286=1...(4) HG13 ILE 16 - HE2 LYS 61 lone 1 35 - 4 - Peak 2120 from cnoeabs.peaks (1.40, 3.05, 41.56 ppm; 3.69 A): 1 out of 14 assignments used, quality = 0.99: * HG2 LYS 41 + HE2 LYS 41 OK 99 100 - 99 - 3.8=95, 2130/1.8=25...(24) HG2 LYS 61 - HE2 LYS 61 OK 34 35 - 96 - 3.9=85, 3.0/2782=6...(75) HG3 LYS 61 - HE2 LYS 61 OK 33 34 - 96 - 3.9=85, 3.0/2782=6...(75) HG3 LYS 45 - HE2 LYS 41 OK 16 100 - 16 - 2130/1.8=4, 1.8/2121=3...(6) QB ALA 78 - HE2 LYS 41 OK 12 100 - 12 - 2130/1.8=3, 6454/4.8=2...(4) HG2 LYS 41 - HE2 LYS 61 poor 7 56 - 13 - 3.0/2064=3, 4.0/2054=2...(4) HG3 LYS 45 - HE2 LYS 61 poor 7 54 - 13 - 1.8/2121=2 HG2 LYS 61 - HE2 LYS 41 lone 7 76 - 9 - 2130/1.8=2, ~2130=1 HG3 LYS 61 - HE2 LYS 41 lone 6 73 - 8 - 2130/1.8=2, ~2130=1 HD3 LYS 86 - HE2 LYS 41 lone 5 73 - 7 - 2130/1.8=1, 3616/3.8=1 QB ALA 78 - HE2 LYS 61 lone 4 56 - 8 - 6441/2.9=1, 6442/2.9=1 HB3 LEU 53 - HE2 LYS 41 lone 4 98 - 4 - HD3 LYS 86 - HE2 LYS 61 lone 1 34 - 3 - HB3 LEU 53 - HE2 LYS 61 lone 1 52 - 1 - Peak 2121 from cnoeabs.peaks (1.51, 3.05, 41.56 ppm; 3.57 A): 1 out of 18 assignments used, quality = 0.98: * HG3 LYS 41 + HE2 LYS 41 OK 98 100 - 98 - 3.8=86, 2131/1.8=26...(24) HG2 LYS 45 - HE2 LYS 41 OK 14 99 - 14 - 2131/1.8=4, ~2130=2...(5) HG2 LYS 94 - HE2 LYS 61 OK 12 55 - 22 - 3881/2.9=2, 3880/2.9=2 HB3 LYS 63 - HE2 LYS 61 poor 8 38 - 20 - 2913/2.9=2, 2913/2.9=2...(5) HG2 LYS 45 - HE2 LYS 61 poor 7 53 - 14 - 1.8/2120=1, 2284/2.9=1 HG3 LYS 41 - HE2 LYS 61 poor 7 56 - 12 - 3.0/2064=3, 4.0/2054=2...(4) HG2 LYS 94 - HE2 LYS 41 lone 6 100 - 6 - 2131/1.8=2 HG2 LYS 86 - HE2 LYS 41 lone 6 95 - 6 - 2131/1.8=1, 2061/4.8=1 HB3 LYS 94 - HE2 LYS 61 poor 6 27 - 21 - ~3862=1, 3871/2.9=1...(4) HG13 ILE 93 - HE2 LYS 41 lone 4 95 - 4 - 2131/1.8=1 HB3 LEU 62 - HE2 LYS 61 lone 4 42 - 9 - ~5957=1 HG LEU 53 - HE2 LYS 41 lone 4 98 - 3 - HB3 LYS 94 - HE2 LYS 41 lone 2 60 - 4 - HB3 LEU 62 - HE2 LYS 41 lone 1 87 - 1 - HG2 LYS 86 - HE2 LYS 61 lone 1 48 - 3 - HB3 LYS 63 - HE2 LYS 41 lone 1 81 - 1 - HG13 ILE 93 - HE2 LYS 61 lone 1 48 - 1 - HG LEU 53 - HE2 LYS 61 lone 0 52 - 1 - Peak 2122 from cnoeabs.peaks (1.63, 3.05, 41.56 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HE2 LYS 41 OK 100 100 - 100 - 3.0=100 * HD2 LYS 41 + HE2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2123 from cnoeabs.peaks (1.63, 3.05, 41.56 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 41 + HE2 LYS 41 OK 100 100 - 100 - 3.0=100 HD2 LYS 41 + HE2 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2124 from cnoeabs.peaks (3.05, 3.05, 41.56 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 41 + HE2 LYS 41 OK 100 100 - 100 HE2 LYS 61 - HE2 LYS 61 OK 42 42 - 100 Peak 2125 from cnoeabs.peaks (3.09, 3.05, 41.56 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 41 + HE2 LYS 41 OK 100 100 - 100 - 1.8=100 Peak 2127 from cnoeabs.peaks (4.06, 3.09, 41.56 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.99: * HA LYS 41 + HE3 LYS 41 OK 99 100 - 99 - 6.2=63, 2054/1.8=33...(26) HA3 GLY 38 - HE3 LYS 41 OK 14 78 - 18 - ~5339=6, 5344/1.8=5...(5) HA ILE 39 - HE3 LYS 41 poor 9 60 - 15 - ~5363=6, 6251/6259=3...(5) HB3 SER 29 - HE3 LYS 41 lone 4 85 - 5 - Peak 2128 from cnoeabs.peaks (1.47, 3.09, 41.56 ppm; 3.82 A): 1 out of 8 assignments used, quality = 0.96: * HB2 LYS 41 + HE3 LYS 41 OK 96 100 - 96 - 4.8=51, 1.8/2129=21...(29) QB ALA 31 - HE3 LYS 41 OK 20 99 - 20 - 2118/1.8=4, 2108/3.0=2...(10) HB ILE 51 - HE3 LYS 41 OK 10 96 - 11 - 2118/1.8=2, 2078/3.8=1...(6) HG2 LYS 44 - HE3 LYS 41 lone 7 100 - 6 - 2118/1.8=2 HG2 LYS 86 - HE3 LYS 41 lone 4 68 - 6 - 3.0/2130=1, 2088/3.8=1 QG2 THR 67 - HE3 LYS 41 lone 3 89 - 4 - HG3 LYS 94 - HE3 LYS 41 lone 3 63 - 4 - HG12 ILE 80 - HE3 LYS 41 lone 3 89 - 3 - Peak 2129 from cnoeabs.peaks (1.20, 3.09, 41.56 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 41 + HE3 LYS 41 OK 99 100 - 99 - 4.8=72, 1.8/2128=29...(31) HG13 ILE 37 - HE3 LYS 41 OK 26 89 - 30 - 2.1/5277=6, 2119/1.8=6...(7) QG2 THR 59 - HE3 LYS 41 OK 13 63 - 20 - 4.0/5908=4, 3.2/5487=4...(5) HG13 ILE 16 - HE3 LYS 41 lone 7 76 - 9 - 2119/1.8=2, 2109/3.0=1 Peak 2130 from cnoeabs.peaks (1.40, 3.09, 41.56 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 3.8=98, 1.8/2131=28...(23) HG3 LYS 45 - HE3 LYS 41 OK 15 100 - 15 - 1.8/2131=4, 2120/1.8=2...(6) QB ALA 78 - HE3 LYS 41 OK 10 100 - 10 - 6454/4.8=2, 6447/1.8=2 HG2 LYS 61 - HE3 LYS 41 lone 6 76 - 8 - 4.7/5941=1, 2120/1.8=1 HG3 LYS 61 - HE3 LYS 41 lone 6 73 - 8 - 4.7/5941=1, 2120/1.8=1 HD3 LYS 86 - HE3 LYS 41 lone 5 73 - 7 - 3.0/2131=1, 3616/3.8=1 HB3 LEU 53 - HE3 LYS 41 lone 4 98 - 4 - Peak 2131 from cnoeabs.peaks (1.51, 3.09, 41.56 ppm; 3.63 A): 1 out of 9 assignments used, quality = 0.98: * HG3 LYS 41 + HE3 LYS 41 OK 98 100 - 98 - 3.8=90, 1.8/2130=24...(27) HG2 LYS 45 - HE3 LYS 41 OK 14 99 - 14 - 1.8/2130=3, 2121/1.8=3...(5) HG2 LYS 94 - HE3 LYS 41 lone 6 100 - 5 - 2121/1.8=1 HG2 LYS 86 - HE3 LYS 41 lone 5 95 - 6 - 2061/4.8=1, 2121/1.8=1 HG13 ILE 93 - HE3 LYS 41 lone 4 95 - 4 - HG LEU 53 - HE3 LYS 41 lone 4 98 - 3 - HB3 LYS 94 - HE3 LYS 41 lone 2 60 - 4 - HB3 LEU 62 - HE3 LYS 41 lone 1 87 - 2 - HB3 LYS 63 - HE3 LYS 41 lone 1 81 - 1 - Peak 2132 from cnoeabs.peaks (1.63, 3.09, 41.56 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 3.0=100 * HD2 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2133 from cnoeabs.peaks (1.63, 3.09, 41.56 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 3.0=100 HD2 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 3.0=100 Peak 2134 from cnoeabs.peaks (3.05, 3.09, 41.56 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 41 + HE3 LYS 41 OK 100 100 - 100 - 1.8=100 Peak 2135 from cnoeabs.peaks (3.09, 3.09, 41.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 41 + HE3 LYS 41 OK 100 100 - 100 Peak 2136 from cnoeabs.peaks (8.47, 4.38, 60.77 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H THR 42 + HA THR 42 OK 100 100 - 100 - 3.0=100 Peak 2137 from cnoeabs.peaks (4.38, 4.38, 60.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 42 + HA THR 42 OK 100 100 - 100 HA SER 29 + HA SER 29 OK 91 91 - 100 Peak 2138 from cnoeabs.peaks (3.73, 4.38, 60.77 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 42 + HA THR 42 OK 100 100 - 100 - 3.0=100 Peak 2139 from cnoeabs.peaks (0.88, 4.38, 60.77 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 42 + HA THR 42 OK 100 100 - 100 - 3.2=100 Peak 2140 from cnoeabs.peaks (8.47, 3.73, 70.24 ppm; 3.21 A): 1 out of 9 assignments used, quality = 0.73: * H THR 42 + HB THR 42 OK 73 100 - 73 - 4.0=50, 2144/2.1=15...(7) H THR 15 - HB THR 42 lone 6 90 - 7 - 778=2, 2144/2.1=1, 4.6/4172=1 H ASP 71 - HB THR 42 lone 5 81 - 7 - 6252/5500=2, 2144/2.1=2 H ALA 98 - HB THR 42 lone 5 100 - 4 - 2144/2.1=2, 6995/4.7=1 H ILE 93 - HB THR 42 lone 4 92 - 4 - 2144/2.1=1 H ASP 72 - HB THR 42 lone 4 99 - 4 - 2144/2.1=1, 4162/5500=1 H PHE 83 - HB THR 42 lone 3 99 - 3 - 2144/2.1=1 H LEU 21 - HB THR 42 lone 3 100 - 2 - H TRP 82 - HB THR 42 lone 1 78 - 1 - Peak 2141 from cnoeabs.peaks (4.38, 3.73, 70.24 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 42 + HB THR 42 OK 100 100 - 100 - 3.0=100 Peak 2142 from cnoeabs.peaks (3.73, 3.73, 70.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 42 + HB THR 42 OK 100 100 - 100 Peak 2143 from cnoeabs.peaks (0.88, 3.73, 70.24 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 42 + HB THR 42 OK 100 100 - 100 - 2.1=100 Peak 2144 from cnoeabs.peaks (8.47, 0.88, 21.14 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.95: * H THR 42 + QG2 THR 42 OK 94 100 - 94 - 4.0=83, 2140/2.1=28...(8) H ALA 98 + QG2 THR 42 OK 12 100 - 12 - 4.6/5509=5, 2140/2.1=2 H ASP 71 - QG2 THR 42 poor 10 81 - 12 - 3.9/6273=3, 2140/2.1=2...(4) H ASP 72 - QG2 THR 42 lone 9 99 - 9 - 4.5/6273=2, 2140/2.1=2 H THR 15 - QG2 THR 42 lone 9 90 - 10 - 2140/2.1=3, 779=2...(4) H ILE 93 - QG2 THR 42 lone 8 92 - 8 - 2140/2.1=2, 3.5/7189=1...(5) H PHE 83 - QG2 THR 42 lone 6 99 - 6 - 3.0/7189=2, 2140/2.1=1 H LEU 21 - QG2 THR 42 lone 4 100 - 4 - 2140/2.1=1 H TRP 82 - QG2 THR 42 lone 2 78 - 3 - Peak 2145 from cnoeabs.peaks (4.38, 0.88, 21.14 ppm; 2.96 A): 2 out of 10 assignments used, quality = 0.88: * HA THR 42 + QG2 THR 42 OK 86 100 - 86 - 3.2=78, 3.6/4173=13...(8) HB THR 46 + QG2 THR 42 OK 15 96 - 16 - 4.4/5511=9, 185/4.2=2 HA SER 29 - QG2 THR 42 lone 7 100 - 7 - 3.0/5498=2, 185/4.2=1 HA ALA 98 - QG2 THR 42 lone 3 98 - 3 - 3.0/2144=1 HA SER 11 - QG2 THR 42 lone 3 78 - 4 - 4.8/5502=2 HA PRO 73 - QG2 THR 42 lone 3 90 - 3 - HA PRO 74 - QG2 THR 42 lone 2 76 - 3 - HA TRP 82 - QG2 THR 42 lone 2 87 - 2 - HA LEU 62 - QG2 THR 42 lone 1 89 - 1 - HA LYS 61 - QG2 THR 42 lone 1 63 - 1 - Peak 2146 from cnoeabs.peaks (3.73, 0.88, 21.14 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 42 + QG2 THR 42 OK 100 100 - 100 - 2.1=100 Peak 2147 from cnoeabs.peaks (0.88, 0.88, 21.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 42 + QG2 THR 42 OK 100 100 - 100 Peak 2148 from cnoeabs.peaks (8.81, 4.53, 52.54 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 43 + HA ASN 43 OK 100 100 - 100 - 2.9=100 Peak 2149 from cnoeabs.peaks (4.53, 4.53, 52.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 43 + HA ASN 43 OK 100 100 - 100 Peak 2150 from cnoeabs.peaks (3.27, 4.53, 52.54 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 43 + HA ASN 43 OK 100 100 - 100 - 3.0=100 Peak 2151 from cnoeabs.peaks (2.55, 4.53, 52.54 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 43 + HA ASN 43 OK 100 100 - 100 - 3.0=100 Peak 2154 from cnoeabs.peaks (8.81, 3.27, 38.75 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.90: * H ASN 43 + HB2 ASN 43 OK 90 100 - 90 - 4.0=72, 783/1.8=35...(11) H ILE 16 - HB2 ASN 43 lone 8 99 - 8 - 2160/1.8=3, 4.1/5531=2 H GLU 28 - HB2 ASN 43 lone 7 99 - 7 - 2160/1.8=2, 4173/5496=1 Peak 2155 from cnoeabs.peaks (4.53, 3.27, 38.75 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 43 + HB2 ASN 43 OK 100 100 - 100 - 3.0=100 Peak 2156 from cnoeabs.peaks (3.27, 3.27, 38.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 43 + HB2 ASN 43 OK 100 100 - 100 Peak 2157 from cnoeabs.peaks (2.55, 3.27, 38.75 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 43 + HB2 ASN 43 OK 100 100 - 100 - 1.8=100 Peak 2158 from cnoeabs.peaks (7.65, 3.27, 38.75 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 43 + HB2 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 2160 from cnoeabs.peaks (8.81, 2.55, 38.75 ppm; 3.51 A): 1 out of 6 assignments used, quality = 0.88: * H ASN 43 + HB3 ASN 43 OK 88 100 - 88 - 4.0=69, 782/1.8=40...(11) H ILE 16 - HB3 ASN 43 lone 8 99 - 7 - 2154/1.8=3, 4.1/5538=2 H GLU 28 - HB3 ASN 43 lone 6 99 - 6 - 2154/1.8=2 H ILE 16 - HB2 ASN 13 lone 1 34 - 4 - 4637/4.0=2 H ASN 43 - HB2 ASN 13 lone 1 35 - 3 - 783=1 H GLU 28 - HB2 ASN 13 lone 0 33 - 1 - Peak 2161 from cnoeabs.peaks (4.53, 2.55, 38.75 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 43 + HB3 ASN 43 OK 100 100 - 100 - 3.0=100 Peak 2162 from cnoeabs.peaks (3.27, 2.55, 38.75 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 43 + HB3 ASN 43 OK 100 100 - 100 - 1.8=100 Peak 2163 from cnoeabs.peaks (2.55, 2.55, 38.75 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 43 + HB3 ASN 43 OK 100 100 - 100 HB2 ASN 13 - HB2 ASN 13 OK 21 21 - 100 Peak 2164 from cnoeabs.peaks (7.65, 2.55, 38.75 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 43 + HB3 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 2165 from cnoeabs.peaks (7.20, 2.55, 38.75 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 43 + HB3 ASN 43 OK 100 100 - 100 - 3.5=100 Peak 2166 from cnoeabs.peaks (3.99, 3.99, 57.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + HA LYS 44 OK 100 100 - 100 Peak 2167 from cnoeabs.peaks (1.86, 3.99, 57.96 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 HB3 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 Peak 2168 from cnoeabs.peaks (1.86, 3.99, 57.96 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 HB2 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 Peak 2169 from cnoeabs.peaks (1.47, 3.99, 57.96 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.7=100 Peak 2170 from cnoeabs.peaks (1.55, 3.99, 57.96 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.7=100 Peak 2171 from cnoeabs.peaks (1.68, 3.99, 57.96 ppm; 3.82 A): 6 out of 18 assignments used, quality = 0.94: * HD2 LYS 44 + HA LYS 44 OK 66 100 - 66 - 5.4=36, 2198/3.7=10...(17) HD3 LYS 44 + HA LYS 44 OK 66 100 - 66 - 5.4=36, 2198/3.7=10...(17) HD2 LYS 61 + HA LYS 44 OK 20 100 - 20 - 2220=2, 2198/3.7=2...(9) HD3 LYS 61 + HA LYS 44 OK 20 100 - 20 - 2220=2, 2198/3.7=2...(9) HD3 LYS 45 + HA LYS 44 OK 12 83 - 15 - 792/3.6=3, 2220=2...(6) HD2 LYS 45 + HA LYS 44 OK 11 78 - 15 - 792/3.6=3, 2220=1...(6) HG12 ILE 27 - HA LYS 44 poor 8 76 - 11 - 3.2/4947=3, 2.8/4943=2 HD2 LYS 94 - HA LYS 44 lone 8 100 - 8 - 2211=1 HD3 LYS 94 - HA LYS 44 lone 8 100 - 8 - 2211=1 HB3 LYS 61 - HA LYS 44 lone 7 76 - 9 - 5.0/2174=1, 5.0/2173=1...(4) QB ALA 79 - HA LYS 44 lone 6 95 - 7 - 4.7/4461=1 HD3 LYS 35 - HA LYS 44 lone 6 100 - 6 - HB ILE 40 - HA LYS 44 lone 5 100 - 5 - HG12 ILE 39 - HA LYS 44 lone 4 97 - 4 - 3.2/5543=2 HD3 LYS 63 - HA LYS 44 lone 3 100 - 3 - HD2 LYS 77 - HA LYS 44 lone 2 81 - 3 - HG3 ARG 57 - HA LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HA LYS 44 lone 2 100 - 2 - Peak 2172 from cnoeabs.peaks (1.68, 3.99, 57.96 ppm; 3.82 A): 6 out of 18 assignments used, quality = 0.94: HD2 LYS 44 + HA LYS 44 OK 66 100 - 66 - 5.4=36, 2198/3.7=10...(17) * HD3 LYS 44 + HA LYS 44 OK 66 100 - 66 - 5.4=36, 2198/3.7=10...(17) HD2 LYS 61 + HA LYS 44 OK 20 100 - 20 - 2220=2, 2198/3.7=2...(9) HD3 LYS 61 + HA LYS 44 OK 20 100 - 20 - 2220=2, 2198/3.7=2...(9) HD3 LYS 45 + HA LYS 44 OK 13 85 - 15 - 792/3.6=3, 2220=2...(6) HD2 LYS 45 + HA LYS 44 OK 12 81 - 15 - 792/3.6=3, 2220=1...(6) HG12 ILE 27 - HA LYS 44 poor 8 73 - 11 - 3.2/4947=3, 2.8/4943=2 HD2 LYS 94 - HA LYS 44 lone 8 100 - 8 - 2211=1 HD3 LYS 94 - HA LYS 44 lone 8 100 - 8 - 2211=1 HB3 LYS 61 - HA LYS 44 lone 7 73 - 9 - 5.0/2174=1, 5.0/2173=1...(4) HD3 LYS 35 - HA LYS 44 lone 6 100 - 6 - QB ALA 79 - HA LYS 44 lone 6 93 - 7 - 4.7/4461=1 HB ILE 40 - HA LYS 44 lone 5 100 - 5 - HG12 ILE 39 - HA LYS 44 lone 4 97 - 4 - 3.2/5543=2 HD3 LYS 63 - HA LYS 44 lone 3 100 - 3 - HD2 LYS 77 - HA LYS 44 lone 2 83 - 3 - HG3 ARG 57 - HA LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HA LYS 44 lone 2 100 - 2 - Peak 2173 from cnoeabs.peaks (3.02, 3.99, 57.96 ppm; 5.17 A): 2 out of 9 assignments used, quality = 0.97: * HE2 LYS 44 + HA LYS 44 OK 83 100 - 83 - 6.3=55, 2201/3.7=12...(19) HE3 LYS 44 + HA LYS 44 OK 83 100 - 83 - 6.3=55, 2201/3.7=12...(19) HE2 LYS 61 - HA LYS 44 OK 27 92 - 30 - 2201/3.7=4, 2.9/2171=3...(13) HE3 LYS 61 - HA LYS 44 OK 27 93 - 29 - 2200/3.7=4, 2.9/2171=3...(14) HE3 LYS 45 - HA LYS 44 OK 16 76 - 22 - 4181/3.6=4, 2200/3.7=2...(6) HE2 LYS 45 - HA LYS 44 OK 16 76 - 22 - 4181/3.6=4, 2200/3.7=2...(6) HE2 LYS 35 - HA LYS 44 OK 16 100 - 16 - 2201/3.7=2, 2210/3.7=2...(5) HE3 LYS 35 - HA LYS 44 OK 16 100 - 16 - 2201/3.7=2, 2210/3.7=2...(5) HB2 SER 75 - HA LYS 44 lone 2 83 - 3 - Peak 2174 from cnoeabs.peaks (3.02, 3.99, 57.96 ppm; 5.17 A): 2 out of 9 assignments used, quality = 0.97: * HE3 LYS 44 + HA LYS 44 OK 83 100 - 83 - 6.3=55, 2201/3.7=12...(19) HE2 LYS 44 + HA LYS 44 OK 83 100 - 83 - 6.3=55, 2201/3.7=12...(19) HE2 LYS 61 - HA LYS 44 OK 28 93 - 30 - 2201/3.7=4, 2.9/2171=3...(13) HE3 LYS 61 - HA LYS 44 OK 26 92 - 29 - 2200/3.7=4, 2.9/2171=3...(14) HE3 LYS 35 - HA LYS 44 OK 16 100 - 16 - 2201/3.7=2, 2210/3.7=2...(5) HE2 LYS 35 - HA LYS 44 OK 16 100 - 16 - 2201/3.7=2, 2210/3.7=2...(5) HE2 LYS 45 - HA LYS 44 OK 16 73 - 22 - 4181/3.6=4, 2200/3.7=2...(6) HE3 LYS 45 - HA LYS 44 OK 16 73 - 22 - 4181/3.6=4, 2200/3.7=2...(6) HB2 SER 75 - HA LYS 44 lone 2 85 - 3 - Peak 2175 from cnoeabs.peaks (3.99, 1.86, 32.01 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 3.0=100 HA LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 3.0=100 Peak 2176 from cnoeabs.peaks (1.86, 1.86, 32.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 HB2 GLU 87 - HB2 GLU 87 OK 28 28 - 100 Peak 2177 from cnoeabs.peaks (1.86, 1.86, 32.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 HB2 GLU 87 - HB2 GLU 87 OK 32 32 - 100 Reference assignment not found: HB3 LYS 44 - HB2 LYS 44 Peak 2178 from cnoeabs.peaks (1.47, 1.86, 32.01 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 HG2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 Peak 2179 from cnoeabs.peaks (1.55, 1.86, 32.01 ppm; 2.98 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 HG3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 GLU 87 + HB2 GLU 87 OK 45 45 - 100 - 1.8=100 Peak 2180 from cnoeabs.peaks (1.68, 1.86, 32.01 ppm; 3.46 A): 4 out of 54 assignments used, quality = 1.00: * HD2 LYS 44 + HB2 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD3 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD2 LYS 44 + HB3 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD3 LYS 44 + HB3 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD3 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 45 - HB2 LYS 44 OK 16 83 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 45 - HB3 LYS 44 OK 16 82 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB2 LYS 44 OK 15 78 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB3 LYS 44 OK 15 78 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD3 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD3 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD3 LYS 35 - HB3 LYS 44 lone 9 100 - 9 - HD3 LYS 35 - HB2 LYS 44 lone 9 100 - 9 - HG12 ILE 27 - HB2 LYS 44 lone 7 76 - 9 - HG12 ILE 27 - HB3 LYS 44 lone 7 75 - 9 - QB ALA 79 - HB2 LYS 44 lone 6 95 - 6 - 4.7/6443=1 QB ALA 79 - HB3 LYS 44 lone 6 94 - 6 - 4.7/6443=1 HB ILE 40 - HB2 LYS 44 lone 6 100 - 6 - HB ILE 40 - HB3 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HB2 LYS 44 lone 5 76 - 7 - 2782/4.8=1, 2782/4.8=1 HB3 LYS 61 - HB3 LYS 44 lone 5 75 - 6 - 2782/4.8=1, 2782/4.8=1 HD2 LYS 77 - HB2 LYS 44 lone 4 81 - 5 - 4.6/3257=1 HD2 LYS 77 - HB3 LYS 44 lone 4 80 - 5 - 4.6/3257=1 HD3 LYS 63 - HB2 LYS 44 lone 2 100 - 2 - HD3 LYS 63 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 39 - HB2 LYS 44 lone 2 97 - 2 - HG12 ILE 39 - HB3 LYS 44 lone 2 96 - 2 - HG3 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG3 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 27 - HB2 GLU 87 lone 2 29 - 5 - HB ILE 40 - HB2 GLU 87 lone 1 46 - 2 - HD2 LYS 94 - HB2 GLU 87 lone 1 46 - 2 - HD3 LYS 94 - HB2 GLU 87 lone 1 46 - 2 - HD2 LYS 61 - HB2 GLU 87 lone 1 46 - 1 - HD3 LYS 61 - HB2 GLU 87 lone 1 46 - 1 - QB ALA 79 - HB2 GLU 87 lone 1 40 - 1 - HD2 LYS 77 - HB2 GLU 87 lone 0 32 - 1 - HD2 LYS 44 - HB2 GLU 87 lone 0 46 - 1 - HD3 LYS 44 - HB2 GLU 87 lone 0 46 - 1 - HD3 LYS 63 - HB2 GLU 87 lone 0 46 - 1 - HG3 ARG 57 - HB2 GLU 87 lone 0 46 - 1 - HG2 ARG 57 - HB2 GLU 87 lone 0 46 - 1 - HD3 LYS 35 - HB2 GLU 87 lone 0 46 - 1 - HG12 ILE 39 - HB2 GLU 87 lone 0 42 - 1 - HD3 LYS 45 - HB2 GLU 87 lone 0 33 - 1 - HD2 LYS 45 - HB2 GLU 87 lone 0 30 - 1 - HB3 LYS 61 - HB2 GLU 87 lone 0 29 - 1 - Peak 2181 from cnoeabs.peaks (1.68, 1.86, 32.01 ppm; 3.46 A): 4 out of 54 assignments used, quality = 1.00: HD2 LYS 44 + HB2 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(39) * HD3 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD3 LYS 44 + HB3 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD2 LYS 44 + HB3 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD3 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 45 - HB2 LYS 44 OK 17 85 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 45 - HB3 LYS 44 OK 16 84 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB2 LYS 44 OK 16 81 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB3 LYS 44 OK 16 80 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD3 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB3 LYS 44 lone 10 99 - 10 - HD3 LYS 94 - HB3 LYS 44 lone 10 99 - 10 - HD3 LYS 35 - HB3 LYS 44 lone 9 100 - 9 - HD3 LYS 35 - HB2 LYS 44 lone 9 100 - 9 - HG12 ILE 27 - HB2 LYS 44 lone 7 73 - 9 - HG12 ILE 27 - HB3 LYS 44 lone 6 73 - 9 - QB ALA 79 - HB2 LYS 44 lone 6 93 - 6 - 4.7/6443=1 QB ALA 79 - HB3 LYS 44 lone 6 93 - 6 - 4.7/6443=1 HB ILE 40 - HB2 LYS 44 lone 6 100 - 6 - HB ILE 40 - HB3 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HB2 LYS 44 lone 5 73 - 6 - 2782/4.8=1 HB3 LYS 61 - HB3 LYS 44 lone 5 73 - 6 - 2782/4.8=1 HD2 LYS 77 - HB2 LYS 44 lone 4 83 - 5 - 4.6/3257=1 HD2 LYS 77 - HB3 LYS 44 lone 4 82 - 5 - 4.6/3257=1 HD3 LYS 63 - HB2 LYS 44 lone 2 100 - 2 - HD3 LYS 63 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 39 - HB2 LYS 44 lone 2 97 - 2 - HG12 ILE 39 - HB3 LYS 44 lone 2 97 - 2 - HG3 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG3 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 27 - HB2 GLU 87 lone 1 28 - 5 - HB ILE 40 - HB2 GLU 87 lone 1 46 - 2 - HD2 LYS 94 - HB2 GLU 87 lone 1 45 - 2 - HD3 LYS 94 - HB2 GLU 87 lone 1 45 - 2 - HD2 LYS 61 - HB2 GLU 87 lone 1 46 - 1 - HD3 LYS 61 - HB2 GLU 87 lone 1 46 - 1 - QB ALA 79 - HB2 GLU 87 lone 1 39 - 1 - HD2 LYS 77 - HB2 GLU 87 lone 0 33 - 1 - HD3 LYS 44 - HB2 GLU 87 lone 0 46 - 1 - HD2 LYS 44 - HB2 GLU 87 lone 0 46 - 1 - HD3 LYS 63 - HB2 GLU 87 lone 0 46 - 1 - HG2 ARG 57 - HB2 GLU 87 lone 0 46 - 1 - HG3 ARG 57 - HB2 GLU 87 lone 0 46 - 1 - HD3 LYS 35 - HB2 GLU 87 lone 0 46 - 1 - HG12 ILE 39 - HB2 GLU 87 lone 0 43 - 1 - HD3 LYS 45 - HB2 GLU 87 lone 0 34 - 1 - HD2 LYS 45 - HB2 GLU 87 lone 0 32 - 1 - HB3 LYS 61 - HB2 GLU 87 lone 0 28 - 1 - Peak 2182 from cnoeabs.peaks (3.02, 1.86, 32.01 ppm; 5.00 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 Peak 2183 from cnoeabs.peaks (3.02, 1.86, 32.01 ppm; 5.00 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 Peak 2184 from cnoeabs.peaks (3.99, 1.86, 32.01 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 3.0=100 HA LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 3.0=100 Peak 2185 from cnoeabs.peaks (1.86, 1.86, 32.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB2 GLU 87 - HB2 GLU 87 OK 33 33 - 100 Reference assignment not found: HB2 LYS 44 - HB3 LYS 44 Peak 2186 from cnoeabs.peaks (1.86, 1.86, 32.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB2 GLU 87 - HB2 GLU 87 OK 37 37 - 100 Peak 2187 from cnoeabs.peaks (1.47, 1.86, 32.01 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 HG2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 Peak 2188 from cnoeabs.peaks (1.55, 1.86, 32.01 ppm; 2.98 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 HG3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 GLU 87 + HB2 GLU 87 OK 53 53 - 100 - 1.8=100 Peak 2189 from cnoeabs.peaks (1.68, 1.86, 32.01 ppm; 3.46 A): 4 out of 54 assignments used, quality = 1.00: * HD2 LYS 44 + HB3 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD3 LYS 44 + HB3 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD2 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD3 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD3 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 45 - HB3 LYS 44 OK 16 83 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 45 - HB2 LYS 44 OK 16 82 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB3 LYS 44 OK 16 78 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB2 LYS 44 OK 15 78 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD3 LYS 94 - HB2 LYS 44 lone 10 100 - 10 - HD3 LYS 35 - HB3 LYS 44 lone 9 100 - 9 - HD3 LYS 35 - HB2 LYS 44 lone 9 100 - 9 - HG12 ILE 27 - HB3 LYS 44 lone 7 76 - 9 - HG12 ILE 27 - HB2 LYS 44 lone 7 75 - 9 - QB ALA 79 - HB3 LYS 44 lone 6 95 - 6 - 4.7/6443=1 QB ALA 79 - HB2 LYS 44 lone 6 94 - 6 - 4.7/6443=1 HB ILE 40 - HB3 LYS 44 lone 6 100 - 6 - HB ILE 40 - HB2 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HB2 LYS 44 lone 5 75 - 6 - 2782/4.8=1, 2782/4.8=1 HB3 LYS 61 - HB3 LYS 44 lone 5 76 - 6 - 2782/4.8=1, 2782/4.8=1 HD2 LYS 77 - HB3 LYS 44 lone 4 81 - 5 - 4.6/3257=1 HD2 LYS 77 - HB2 LYS 44 lone 4 80 - 5 - 4.6/3257=1 HD3 LYS 63 - HB2 LYS 44 lone 2 100 - 2 - HD3 LYS 63 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 39 - HB2 LYS 44 lone 2 96 - 2 - HG12 ILE 39 - HB3 LYS 44 lone 2 97 - 2 - HG3 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG3 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG12 ILE 27 - HB2 GLU 87 lone 2 35 - 5 - HB ILE 40 - HB2 GLU 87 lone 1 55 - 2 - HD2 LYS 94 - HB2 GLU 87 lone 1 54 - 2 - HD3 LYS 94 - HB2 GLU 87 lone 1 54 - 2 - HD2 LYS 61 - HB2 GLU 87 lone 1 55 - 1 - HD3 LYS 61 - HB2 GLU 87 lone 1 55 - 1 - QB ALA 79 - HB2 GLU 87 lone 1 47 - 1 - HD2 LYS 77 - HB2 GLU 87 lone 1 37 - 1 - HD2 LYS 44 - HB2 GLU 87 lone 1 55 - 1 - HD3 LYS 44 - HB2 GLU 87 lone 1 55 - 1 - HD3 LYS 63 - HB2 GLU 87 lone 1 55 - 1 - HG3 ARG 57 - HB2 GLU 87 lone 0 55 - 1 - HG2 ARG 57 - HB2 GLU 87 lone 0 55 - 1 - HB3 LYS 61 - HB2 GLU 87 lone 0 35 - 1 - HD3 LYS 35 - HB2 GLU 87 lone 0 54 - 1 - HG12 ILE 39 - HB2 GLU 87 lone 0 49 - 1 - HD3 LYS 45 - HB2 GLU 87 lone 0 39 - 1 - HD2 LYS 45 - HB2 GLU 87 lone 0 36 - 1 - Peak 2190 from cnoeabs.peaks (1.68, 1.86, 32.01 ppm; 3.46 A): 4 out of 54 assignments used, quality = 1.00: HD2 LYS 44 + HB3 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(40) * HD3 LYS 44 + HB3 LYS 44 OK 93 100 - 93 - 3.8=76, 2198/2.9=10...(40) HD3 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD2 LYS 44 + HB2 LYS 44 OK 92 100 - 93 - 3.8=76, 2198/2.9=10...(39) HD3 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB3 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD2 LYS 61 - HB2 LYS 44 OK 27 100 - 28 - 2198/2.9=2, 2171/3.0=2...(7) HD3 LYS 45 - HB3 LYS 44 OK 17 85 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 45 - HB2 LYS 44 OK 16 84 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB3 LYS 44 OK 16 81 - 20 - 6.3/189=3, 2199/2.9=1 HD2 LYS 45 - HB2 LYS 44 OK 16 80 - 20 - 6.3/189=3, 2199/2.9=1 HD3 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB3 LYS 44 lone 10 100 - 10 - HD2 LYS 94 - HB2 LYS 44 lone 10 99 - 10 - HD3 LYS 94 - HB2 LYS 44 lone 10 99 - 10 - HD3 LYS 35 - HB3 LYS 44 lone 9 100 - 9 - HD3 LYS 35 - HB2 LYS 44 lone 9 100 - 9 - HG12 ILE 27 - HB3 LYS 44 lone 7 73 - 9 - HG12 ILE 27 - HB2 LYS 44 lone 6 73 - 9 - QB ALA 79 - HB3 LYS 44 lone 6 93 - 6 - 4.7/6443=1 QB ALA 79 - HB2 LYS 44 lone 6 93 - 6 - 4.7/6443=1 HB ILE 40 - HB3 LYS 44 lone 6 100 - 6 - HB ILE 40 - HB2 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HB2 LYS 44 lone 5 73 - 6 - 2782/4.8=1 HB3 LYS 61 - HB3 LYS 44 lone 5 73 - 6 - 2782/4.8=1 HD2 LYS 77 - HB3 LYS 44 lone 4 83 - 5 - 4.6/3257=1 HD2 LYS 77 - HB2 LYS 44 lone 4 82 - 5 - 4.6/3257=1 HD3 LYS 63 - HB2 LYS 44 lone 2 100 - 2 - HD3 LYS 63 - HB3 LYS 44 lone 2 100 - 2 - HG12 ILE 39 - HB2 LYS 44 lone 2 97 - 2 - HG12 ILE 39 - HB3 LYS 44 lone 2 97 - 2 - HG3 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG3 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB3 LYS 44 lone 2 100 - 2 - HG2 ARG 57 - HB2 LYS 44 lone 2 100 - 2 - HG12 ILE 27 - HB2 GLU 87 lone 2 33 - 5 - HB ILE 40 - HB2 GLU 87 lone 1 55 - 2 - HD2 LYS 94 - HB2 GLU 87 lone 1 53 - 2 - HD3 LYS 94 - HB2 GLU 87 lone 1 53 - 2 - HD2 LYS 61 - HB2 GLU 87 lone 1 55 - 1 - HD3 LYS 61 - HB2 GLU 87 lone 1 55 - 1 - QB ALA 79 - HB2 GLU 87 lone 1 46 - 1 - HD2 LYS 77 - HB2 GLU 87 lone 1 39 - 1 - HD3 LYS 44 - HB2 GLU 87 lone 1 55 - 1 - HD2 LYS 44 - HB2 GLU 87 lone 1 55 - 1 - HD3 LYS 63 - HB2 GLU 87 lone 1 55 - 1 - HG2 ARG 57 - HB2 GLU 87 lone 0 55 - 1 - HG3 ARG 57 - HB2 GLU 87 lone 0 54 - 1 - HB3 LYS 61 - HB2 GLU 87 lone 0 33 - 1 - HD3 LYS 35 - HB2 GLU 87 lone 0 54 - 1 - HG12 ILE 39 - HB2 GLU 87 lone 0 50 - 1 - HD3 LYS 45 - HB2 GLU 87 lone 0 40 - 1 - HD2 LYS 45 - HB2 GLU 87 lone 0 37 - 1 - Peak 2191 from cnoeabs.peaks (3.02, 1.86, 32.01 ppm; 5.00 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 Peak 2192 from cnoeabs.peaks (3.02, 1.86, 32.01 ppm; 5.00 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=100 HE3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HE2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 Peak 2193 from cnoeabs.peaks (3.99, 1.47, 24.78 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.7=100 Peak 2194 from cnoeabs.peaks (1.86, 1.47, 24.78 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 Peak 2195 from cnoeabs.peaks (1.86, 1.47, 24.78 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 Peak 2196 from cnoeabs.peaks (1.47, 1.47, 24.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 Peak 2197 from cnoeabs.peaks (1.55, 1.47, 24.78 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 1.8=100 Peak 2198 from cnoeabs.peaks (1.68, 1.47, 24.78 ppm; 2.75 A): 2 out of 18 assignments used, quality = 0.99: * HD2 LYS 44 + HG2 LYS 44 OK 90 100 - 90 - 3.0=79, 2207/1.8=7...(24) HD3 LYS 44 + HG2 LYS 44 OK 90 100 - 90 - 3.0=79, 2207/1.8=7...(24) HD2 LYS 61 - HG2 LYS 44 OK 20 100 - 21 - 2223=2, 2.9/2201=1...(5) HD3 LYS 61 - HG2 LYS 44 OK 20 100 - 21 - 2223=2, 2.9/2201=1...(5) HD3 LYS 45 - HG2 LYS 44 OK 13 83 - 16 - 2.9/2088=1, 2223=1...(4) HD2 LYS 45 - HG2 LYS 44 OK 12 78 - 16 - 2.9/2088=1, 2.9/2078=1...(4) HD2 LYS 94 - HG2 LYS 44 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 44 lone 8 100 - 8 - HB ILE 40 - HG2 LYS 44 lone 6 100 - 6 - HD3 LYS 35 - HG2 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HG2 LYS 44 lone 6 76 - 8 - HG12 ILE 27 - HG2 LYS 44 lone 6 76 - 7 - 2.1/4978=1 QB ALA 79 - HG2 LYS 44 lone 3 95 - 3 - HD3 LYS 63 - HG2 LYS 44 lone 2 100 - 2 - HD2 LYS 77 - HG2 LYS 44 lone 1 81 - 2 - HG12 ILE 39 - HG2 LYS 44 lone 1 97 - 1 - HG3 ARG 57 - HG2 LYS 44 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 44 lone 1 100 - 1 - Peak 2199 from cnoeabs.peaks (1.68, 1.47, 24.78 ppm; 2.75 A): 2 out of 18 assignments used, quality = 0.99: HD2 LYS 44 + HG2 LYS 44 OK 90 100 - 90 - 3.0=79, 2207/1.8=7...(24) * HD3 LYS 44 + HG2 LYS 44 OK 90 100 - 90 - 3.0=79, 2207/1.8=7...(24) HD2 LYS 61 - HG2 LYS 44 OK 20 100 - 21 - 2223=2, 2.9/2201=1...(5) HD3 LYS 61 - HG2 LYS 44 OK 20 100 - 21 - 2223=2, 2.9/2201=1...(5) HD3 LYS 45 - HG2 LYS 44 OK 13 85 - 16 - 2.9/2088=1, 2223=1...(4) HD2 LYS 45 - HG2 LYS 44 OK 12 81 - 16 - 2.9/2088=1, 2.9/2078=1...(4) HD2 LYS 94 - HG2 LYS 44 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 44 lone 8 100 - 8 - HB ILE 40 - HG2 LYS 44 lone 6 100 - 6 - HD3 LYS 35 - HG2 LYS 44 lone 6 100 - 6 - HB3 LYS 61 - HG2 LYS 44 lone 6 73 - 8 - HG12 ILE 27 - HG2 LYS 44 lone 6 73 - 7 - 2.1/4978=1 QB ALA 79 - HG2 LYS 44 lone 3 93 - 3 - HD3 LYS 63 - HG2 LYS 44 lone 2 100 - 2 - HD2 LYS 77 - HG2 LYS 44 lone 2 83 - 2 - HG12 ILE 39 - HG2 LYS 44 lone 1 97 - 1 - HG3 ARG 57 - HG2 LYS 44 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 44 lone 1 100 - 1 - Peak 2200 from cnoeabs.peaks (3.02, 1.47, 24.78 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: HE3 LYS 44 + HG2 LYS 44 OK 96 100 - 96 - 3.9=84, 3.0/2198=11...(49) * HE2 LYS 44 + HG2 LYS 44 OK 96 100 - 96 - 3.9=84, 3.0/2198=11...(49) HE2 LYS 61 - HG2 LYS 44 OK 31 92 - 35 - 2241=3, 2210/1.8=3...(10) HE3 LYS 61 - HG2 LYS 44 OK 30 93 - 33 - 1.8/2118=3, 2232=3...(10) HE3 LYS 45 - HG2 LYS 44 OK 19 76 - 25 - 3.5/2088=2, 3.5/2078=2...(10) HE2 LYS 45 - HG2 LYS 44 OK 19 76 - 25 - 3.5/2088=2, 3.5/2078=2...(10) HE2 LYS 35 - HG2 LYS 44 OK 18 100 - 17 - 2241=2, 2210/1.8=2...(5) HE3 LYS 35 - HG2 LYS 44 OK 18 100 - 17 - 2241=2, 2210/1.8=2...(5) HB2 SER 75 - HG2 LYS 44 lone 1 83 - 1 - Peak 2201 from cnoeabs.peaks (3.02, 1.47, 24.78 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * HE3 LYS 44 + HG2 LYS 44 OK 96 100 - 96 - 3.9=84, 3.0/2198=11...(49) HE2 LYS 44 + HG2 LYS 44 OK 96 100 - 96 - 3.9=84, 3.0/2198=11...(49) HE2 LYS 61 - HG2 LYS 44 OK 32 93 - 35 - 2241=3, 2210/1.8=3...(10) HE3 LYS 61 - HG2 LYS 44 OK 30 92 - 33 - 1.8/2118=3, 2232=3...(10) HE3 LYS 45 - HG2 LYS 44 OK 18 73 - 25 - 3.5/2088=2, 3.5/2078=2...(10) HE2 LYS 45 - HG2 LYS 44 OK 18 73 - 25 - 3.5/2088=2, 3.5/2078=2...(10) HE2 LYS 35 - HG2 LYS 44 OK 18 100 - 17 - 2241=2, 2210/1.8=2...(5) HE3 LYS 35 - HG2 LYS 44 OK 18 100 - 17 - 2241=2, 2210/1.8=2...(5) HB2 SER 75 - HG2 LYS 44 lone 1 85 - 1 - Peak 2202 from cnoeabs.peaks (3.99, 1.55, 24.78 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.7=100 Peak 2203 from cnoeabs.peaks (1.86, 1.55, 24.78 ppm; 2.98 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HD3 LYS 77 + HG2 LYS 77 OK 85 85 - 100 - 3.0=100 HD3 LYS 77 + HG3 LYS 77 OK 83 83 - 100 - 3.0=100 Peak 2204 from cnoeabs.peaks (1.86, 1.55, 24.78 ppm; 2.98 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HD3 LYS 77 + HG2 LYS 77 OK 87 87 - 100 - 3.0=100 HD3 LYS 77 + HG3 LYS 77 OK 85 85 - 100 - 3.0=100 Peak 2205 from cnoeabs.peaks (1.47, 1.55, 24.78 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 1.8=100 Peak 2206 from cnoeabs.peaks (1.55, 1.55, 24.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 HG2 LYS 77 + HG2 LYS 77 OK 77 77 - 100 HG3 LYS 77 + HG3 LYS 77 OK 74 74 - 100 Peak 2207 from cnoeabs.peaks (1.68, 1.55, 24.78 ppm; 2.53 A): 4 out of 54 assignments used, quality = 0.99: * HD2 LYS 44 + HG3 LYS 44 OK 79 100 - 79 - 3.0=62, 2198/1.8=9...(16) HD3 LYS 44 + HG3 LYS 44 OK 79 100 - 79 - 3.0=62, 2198/1.8=9...(16) HD2 LYS 77 + HG2 LYS 77 OK 48 65 - 74 - 3.0=63, 3.0/3334=4...(16) HD2 LYS 77 + HG3 LYS 77 OK 46 63 - 74 - 3.0=63, 3.0/3334=4...(16) HD3 LYS 61 - HG3 LYS 44 OK 16 100 - 17 - 2198/1.8=2 HD2 LYS 61 - HG3 LYS 44 OK 16 100 - 17 - 2198/1.8=2 HD3 LYS 45 - HG3 LYS 44 OK 10 83 - 12 - 6.3/192=2, 2199/1.8=1 HD2 LYS 45 - HG3 LYS 44 poor 10 78 - 13 - 6.3/192=2, 2199/1.8=1 HD3 LYS 94 - HG3 LYS 44 lone 7 100 - 7 - HD2 LYS 94 - HG3 LYS 44 lone 7 100 - 7 - HD3 LYS 35 - HG3 LYS 44 lone 5 100 - 5 - HB3 LYS 61 - HG3 LYS 44 lone 4 76 - 6 - HB ILE 40 - HG3 LYS 44 lone 4 100 - 4 - HG12 ILE 27 - HG3 LYS 44 lone 4 76 - 5 - 3.2/4965=1 QB ALA 79 - HG2 LYS 77 lone 3 79 - 4 - 6462/353=1, 4.7/6440=1 QB ALA 79 - HG3 LYS 77 lone 3 77 - 4 - 6462/353=1, 4.7/6440=1 HB ILE 40 - HG2 LYS 77 lone 3 88 - 3 - HD3 LYS 44 - HG2 LYS 77 lone 3 88 - 3 - HD2 LYS 44 - HG2 LYS 77 lone 3 88 - 3 - HB ILE 40 - HG3 LYS 77 lone 3 86 - 3 - HD3 LYS 44 - HG3 LYS 77 lone 3 86 - 3 - HD2 LYS 44 - HG3 LYS 77 lone 2 86 - 3 - QB ALA 79 - HG3 LYS 44 lone 2 95 - 3 - HD3 LYS 63 - HG2 LYS 77 lone 2 88 - 3 - HD3 LYS 63 - HG3 LYS 77 lone 2 86 - 3 - HD3 LYS 63 - HG3 LYS 44 lone 2 100 - 2 - HD3 LYS 61 - HG2 LYS 77 lone 2 88 - 2 - HD2 LYS 61 - HG2 LYS 77 lone 2 88 - 2 - HD2 LYS 61 - HG3 LYS 77 lone 2 86 - 2 - HD3 LYS 61 - HG3 LYS 77 lone 2 86 - 2 - HD2 LYS 77 - HG3 LYS 44 lone 2 81 - 2 - HD3 LYS 45 - HG2 LYS 77 lone 1 67 - 2 - HD3 LYS 45 - HG3 LYS 77 lone 1 65 - 2 - HD2 LYS 45 - HG2 LYS 77 lone 1 63 - 2 - HD2 LYS 45 - HG3 LYS 77 lone 1 61 - 2 - HD3 LYS 94 - HG2 LYS 77 lone 1 87 - 1 - HD2 LYS 94 - HG2 LYS 77 lone 1 87 - 1 - HD3 LYS 94 - HG3 LYS 77 lone 1 85 - 1 - HD2 LYS 94 - HG3 LYS 77 lone 1 85 - 1 - HG2 ARG 57 - HG3 LYS 44 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 44 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 44 lone 1 97 - 1 - HG12 ILE 27 - HG2 LYS 77 lone 1 60 - 1 - HG12 ILE 27 - HG3 LYS 77 lone 1 58 - 1 - HG12 ILE 39 - HG2 LYS 77 lone 1 81 - 1 - HG12 ILE 39 - HG3 LYS 77 lone 1 79 - 1 - HG2 ARG 57 - HG2 LYS 77 lone 1 88 - 1 - HG3 ARG 57 - HG2 LYS 77 lone 1 88 - 1 - HD3 LYS 35 - HG2 LYS 77 lone 1 87 - 1 - HG2 ARG 57 - HG3 LYS 77 lone 1 86 - 1 - HG3 ARG 57 - HG3 LYS 77 lone 1 86 - 1 - HD3 LYS 35 - HG3 LYS 77 lone 1 85 - 1 - HB3 LYS 61 - HG2 LYS 77 lone 0 60 - 1 - HB3 LYS 61 - HG3 LYS 77 lone 0 58 - 1 - Peak 2208 from cnoeabs.peaks (1.68, 1.55, 24.78 ppm; 2.53 A): 4 out of 54 assignments used, quality = 0.99: * HD3 LYS 44 + HG3 LYS 44 OK 79 100 - 79 - 3.0=62, 2198/1.8=9...(16) HD2 LYS 44 + HG3 LYS 44 OK 79 100 - 79 - 3.0=62, 2198/1.8=9...(16) HD2 LYS 77 + HG2 LYS 77 OK 49 67 - 74 - 3.0=63, 3.0/3334=4...(16) HD2 LYS 77 + HG3 LYS 77 OK 48 65 - 74 - 3.0=63, 3.0/3334=4...(16) HD3 LYS 61 - HG3 LYS 44 OK 16 100 - 17 - 2198/1.8=2 HD2 LYS 61 - HG3 LYS 44 OK 16 100 - 17 - 2198/1.8=2 HD3 LYS 45 - HG3 LYS 44 OK 10 85 - 12 - 6.3/192=2, 2199/1.8=1 HD2 LYS 45 - HG3 LYS 44 poor 10 81 - 13 - 6.3/192=2, 2199/1.8=1 HD3 LYS 94 - HG3 LYS 44 lone 7 100 - 7 - HD2 LYS 94 - HG3 LYS 44 lone 7 100 - 7 - HD3 LYS 35 - HG3 LYS 44 lone 5 100 - 5 - HB ILE 40 - HG3 LYS 44 lone 4 100 - 4 - HB3 LYS 61 - HG3 LYS 44 lone 4 73 - 6 - HG12 ILE 27 - HG3 LYS 44 lone 3 73 - 5 - 3.2/4965=1 QB ALA 79 - HG2 LYS 77 lone 3 77 - 4 - 6462/353=1, 4.7/6440=1 QB ALA 79 - HG3 LYS 77 lone 3 75 - 4 - 6462/353=1, 4.7/6440=1 HB ILE 40 - HG2 LYS 77 lone 3 88 - 3 - HD3 LYS 44 - HG2 LYS 77 lone 3 88 - 3 - HD2 LYS 44 - HG2 LYS 77 lone 3 88 - 3 - HB ILE 40 - HG3 LYS 77 lone 3 86 - 3 - HD3 LYS 44 - HG3 LYS 77 lone 3 86 - 3 - HD2 LYS 44 - HG3 LYS 77 lone 3 86 - 3 - QB ALA 79 - HG3 LYS 44 lone 2 93 - 3 - HD3 LYS 63 - HG2 LYS 77 lone 2 88 - 3 - HD3 LYS 63 - HG3 LYS 77 lone 2 86 - 3 - HD3 LYS 61 - HG2 LYS 77 lone 2 88 - 2 - HD2 LYS 61 - HG2 LYS 77 lone 2 88 - 2 - HD3 LYS 63 - HG3 LYS 44 lone 2 100 - 2 - HD2 LYS 77 - HG3 LYS 44 lone 2 83 - 2 - HD3 LYS 61 - HG3 LYS 77 lone 2 86 - 2 - HD2 LYS 61 - HG3 LYS 77 lone 2 86 - 2 - HD3 LYS 45 - HG2 LYS 77 lone 1 69 - 2 - HD3 LYS 45 - HG3 LYS 77 lone 1 67 - 2 - HD2 LYS 45 - HG2 LYS 77 lone 1 65 - 2 - HD2 LYS 45 - HG3 LYS 77 lone 1 63 - 2 - HD3 LYS 94 - HG2 LYS 77 lone 1 87 - 1 - HD2 LYS 94 - HG2 LYS 77 lone 1 87 - 1 - HD3 LYS 94 - HG3 LYS 77 lone 1 84 - 1 - HD2 LYS 94 - HG3 LYS 77 lone 1 84 - 1 - HG2 ARG 57 - HG3 LYS 44 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 44 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 44 lone 1 97 - 1 - HG12 ILE 27 - HG2 LYS 77 lone 1 58 - 1 - HG12 ILE 27 - HG3 LYS 77 lone 1 56 - 1 - HG12 ILE 39 - HG2 LYS 77 lone 1 83 - 1 - HG12 ILE 39 - HG3 LYS 77 lone 1 80 - 1 - HG2 ARG 57 - HG2 LYS 77 lone 1 88 - 1 - HD3 LYS 35 - HG2 LYS 77 lone 1 87 - 1 - HG3 ARG 57 - HG2 LYS 77 lone 1 88 - 1 - HG2 ARG 57 - HG3 LYS 77 lone 1 86 - 1 - HG3 ARG 57 - HG3 LYS 77 lone 1 86 - 1 - HD3 LYS 35 - HG3 LYS 77 lone 1 85 - 1 - HB3 LYS 61 - HG2 LYS 77 lone 0 58 - 1 - HB3 LYS 61 - HG3 LYS 77 lone 0 56 - 1 - Peak 2209 from cnoeabs.peaks (3.02, 1.55, 24.78 ppm; 3.87 A): 2 out of 27 assignments used, quality = 1.00: * HE2 LYS 44 + HG3 LYS 44 OK 99 100 - 99 - 3.9=96, 2201/1.8=12...(47) HE3 LYS 44 + HG3 LYS 44 OK 99 100 - 99 - 3.9=96, 2201/1.8=12...(49) HE3 LYS 61 - HG3 LYS 44 OK 32 93 - 35 - 2200/1.8=4, ~2201=3...(13) HE2 LYS 61 - HG3 LYS 44 OK 32 92 - 35 - 2201/1.8=4, 2242=3...(12) HE3 LYS 45 - HG3 LYS 44 OK 20 76 - 26 - 7.3/192=5, 2200/1.8=2...(8) HE2 LYS 45 - HG3 LYS 44 OK 20 76 - 26 - 7.3/192=5, 2200/1.8=2...(8) HE2 LYS 35 - HG3 LYS 44 OK 19 100 - 19 - 2201/1.8=2, 2242=2...(7) HE3 LYS 35 - HG3 LYS 44 OK 19 100 - 19 - 2201/1.8=2, 2242=2...(7) HE3 LYS 44 - HG2 LYS 77 lone 5 88 - 5 - HE2 LYS 44 - HG2 LYS 77 lone 5 88 - 5 - HE3 LYS 44 - HG3 LYS 77 lone 5 86 - 5 - HE2 LYS 44 - HG3 LYS 77 lone 5 86 - 5 - HE2 LYS 61 - HG2 LYS 77 lone 3 76 - 4 - HE2 LYS 61 - HG3 LYS 77 lone 3 74 - 4 - HE3 LYS 61 - HG2 LYS 77 lone 3 77 - 3 - HE3 LYS 61 - HG3 LYS 77 lone 3 75 - 3 - HE3 LYS 45 - HG2 LYS 77 lone 3 60 - 4 - HE2 LYS 45 - HG2 LYS 77 lone 3 60 - 4 - HE2 LYS 45 - HG3 LYS 77 lone 2 58 - 4 - HE3 LYS 45 - HG3 LYS 77 lone 2 58 - 4 - HE2 LYS 35 - HG2 LYS 77 lone 2 87 - 2 - HE3 LYS 35 - HG2 LYS 77 lone 2 87 - 2 - HE3 LYS 35 - HG3 LYS 77 lone 2 85 - 2 - HE2 LYS 35 - HG3 LYS 77 lone 2 85 - 2 - HB2 SER 75 - HG3 LYS 44 lone 1 83 - 1 - HB2 SER 75 - HG2 LYS 77 lone 1 67 - 2 - HB2 SER 75 - HG3 LYS 77 lone 1 65 - 2 - Peak 2210 from cnoeabs.peaks (3.02, 1.55, 24.78 ppm; 3.87 A): 2 out of 27 assignments used, quality = 1.00: * HE3 LYS 44 + HG3 LYS 44 OK 99 100 - 99 - 3.9=96, 2201/1.8=12...(49) HE2 LYS 44 + HG3 LYS 44 OK 99 100 - 99 - 3.9=96, 2201/1.8=12...(47) HE2 LYS 61 - HG3 LYS 44 OK 32 93 - 35 - 2201/1.8=4, 2242=3...(12) HE3 LYS 61 - HG3 LYS 44 OK 32 92 - 35 - 2200/1.8=4, ~2201=3...(13) HE2 LYS 35 - HG3 LYS 44 OK 19 100 - 19 - 2201/1.8=2, 2242=2...(7) HE3 LYS 35 - HG3 LYS 44 OK 19 100 - 19 - 2201/1.8=2, 2242=2...(7) HE3 LYS 45 - HG3 LYS 44 OK 19 73 - 26 - 7.3/192=5, 2200/1.8=2...(8) HE2 LYS 45 - HG3 LYS 44 OK 19 73 - 26 - 7.3/192=5, 2200/1.8=2...(8) HE3 LYS 44 - HG2 LYS 77 lone 5 88 - 5 - HE2 LYS 44 - HG2 LYS 77 lone 5 88 - 5 - HE3 LYS 44 - HG3 LYS 77 lone 5 86 - 5 - HE2 LYS 44 - HG3 LYS 77 lone 5 86 - 5 - HE2 LYS 61 - HG2 LYS 77 lone 3 77 - 4 - HE2 LYS 61 - HG3 LYS 77 lone 3 75 - 4 - HE3 LYS 61 - HG2 LYS 77 lone 3 76 - 3 - HE3 LYS 61 - HG3 LYS 77 lone 3 74 - 3 - HE3 LYS 45 - HG2 LYS 77 lone 2 58 - 4 - HE2 LYS 45 - HG2 LYS 77 lone 2 58 - 4 - HE2 LYS 45 - HG3 LYS 77 lone 2 56 - 4 - HE3 LYS 45 - HG3 LYS 77 lone 2 56 - 4 - HE2 LYS 35 - HG2 LYS 77 lone 2 88 - 2 - HE3 LYS 35 - HG2 LYS 77 lone 2 88 - 2 - HE3 LYS 35 - HG3 LYS 77 lone 2 86 - 2 - HE2 LYS 35 - HG3 LYS 77 lone 2 86 - 2 - HB2 SER 75 - HG3 LYS 44 lone 1 85 - 1 - HB2 SER 75 - HG2 LYS 77 lone 1 69 - 2 - HB2 SER 75 - HG3 LYS 77 lone 1 67 - 2 - Peak 2211 from cnoeabs.peaks (3.99, 1.68, 28.46 ppm; 3.79 A): 3 out of 77 assignments used, quality = 0.92: * HA LYS 44 + HD2 LYS 44 OK 67 100 - 67 - 5.4=35, 3.7/2198=10...(17) HA LYS 44 + HD3 LYS 44 OK 67 100 - 67 - 5.4=35, 3.7/2198=10...(17) HA GLU 28 + HG12 ILE 27 OK 32 41 - 77 - 4947/3.2=15, 4992/2.1=12...(17) HA LYS 44 - HD2 LYS 61 OK 19 85 - 22 - 2171=4, 2171/1.8=3...(9) HA LYS 44 - HD3 LYS 61 OK 19 85 - 22 - 2171=4, 2171/1.8=3...(9) HA GLU 28 - HD2 LYS 44 OK 18 97 - 19 - 4413/3.0=4, 4994/3.8=2...(8) HA GLU 28 - HD3 LYS 44 OK 18 97 - 19 - 4413/3.0=4, 4994/3.8=2...(8) HA LYS 44 - HD3 LYS 45 OK 11 72 - 16 - 3.6/793=3, 2172=2...(4) HA LYS 44 - HD2 LYS 45 OK 10 66 - 16 - 3.6/793=3, 2172=2...(4) HA LYS 44 - HD3 LYS 94 lone 8 97 - 8 - 2171=2, 2171/1.8=1 HA LYS 44 - HD2 LYS 94 lone 8 97 - 8 - 2171=2, 2171/1.8=1 HA LYS 44 - HG12 ILE 27 poor 5 46 - 12 - 4947/3.2=3, 4943/2.8=2...(4) HA SER 75 - HD3 LYS 61 lone 4 49 - 9 - 4460/3.0=2, 4460/3.0=1, ~6354=1 HA SER 75 - HD2 LYS 61 lone 4 49 - 9 - 4460/3.0=2, 4460/3.0=1, ~6354=1 HB2 SER 29 - HG12 ILE 27 poor 4 38 - 10 - 4941/3.8=4, 4947/3.2=3 HA GLU 28 - HD3 LYS 94 lone 3 92 - 4 - HA GLU 28 - HD2 LYS 94 lone 3 92 - 4 - HB3 SER 96 - HG12 ILE 27 poor 3 25 - 11 - 4947/3.2=3, 4943/2.8=3...(6) HA GLU 28 - HD3 LYS 63 lone 3 68 - 4 - 4994/3.9=1 HB3 SER 89 - HD3 LYS 61 lone 3 84 - 3 - 6736/6.0=2 HB3 SER 89 - HD2 LYS 61 lone 3 84 - 3 - 6736/6.0=2 HB3 SER 89 - HD2 LYS 77 lone 3 68 - 4 - ~3311=1 HA GLU 28 - HD2 LYS 61 lone 2 79 - 3 - HA GLU 28 - HD3 LYS 61 lone 2 79 - 3 - HA GLU 28 - HD3 LYS 45 lone 2 66 - 4 - 4415/6.3=2 HA SER 75 - HD2 LYS 77 lone 2 38 - 6 - 1176/6.3=4, 4459/355=1 HA LYS 44 - HD3 LYS 63 lone 2 75 - 3 - HA GLU 28 - HD2 LYS 45 lone 2 60 - 4 - 4415/6.3=2 HA LYS 44 - HD2 LYS 77 lone 2 69 - 3 - HB2 SER 29 - HD2 LYS 77 lone 2 58 - 3 - 5028/3.7=1 HA ARG 57 - HD3 LYS 61 lone 2 45 - 4 - HA ARG 57 - HD2 LYS 61 lone 2 45 - 4 - HA SER 75 - HD3 LYS 44 lone 2 65 - 3 - HA SER 75 - HD2 LYS 44 lone 2 65 - 3 - HB3 SER 89 - HD3 LYS 44 lone 2 100 - 2 - HB3 SER 89 - HD2 LYS 44 lone 2 100 - 2 - HB2 SER 29 - HD2 LYS 44 lone 1 92 - 2 - HB2 SER 29 - HD3 LYS 44 lone 1 92 - 2 - HA SER 75 - HD3 LYS 63 lone 1 42 - 3 - HA SER 75 - HD3 LYS 45 lone 1 40 - 4 - HA ARG 57 - HD3 LYS 63 lone 1 38 - 3 - HA ARG 57 - HD3 LYS 94 lone 1 55 - 2 - HA ARG 57 - HD2 LYS 94 lone 1 55 - 2 - HA SER 75 - HD2 LYS 45 lone 1 36 - 3 - HA ARG 57 - HD2 LYS 44 lone 1 60 - 2 - HA ARG 57 - HD3 LYS 44 lone 1 60 - 2 - HB3 SER 89 - HG12 ILE 27 lone 1 45 - 2 - HA GLU 28 - HD2 LYS 77 lone 1 63 - 2 - HA ARG 57 - HD2 LYS 77 lone 1 35 - 3 - HB2 SER 29 - HD2 LYS 61 lone 1 73 - 1 - HB2 SER 29 - HD3 LYS 61 lone 1 73 - 1 - HB2 SER 29 - HD2 LYS 94 lone 1 86 - 1 - HB2 SER 29 - HD3 LYS 94 lone 1 86 - 1 - HB3 SER 89 - HD3 LYS 94 lone 1 96 - 1 - HB3 SER 89 - HD2 LYS 94 lone 1 96 - 1 - HB2 SER 29 - HD3 LYS 63 lone 1 63 - 1 - HA SER 75 - HD2 LYS 94 lone 1 60 - 1 - HA SER 75 - HD3 LYS 94 lone 1 60 - 1 - HB3 SER 96 - HD2 LYS 44 lone 1 68 - 1 - HB3 SER 96 - HD3 LYS 44 lone 1 68 - 1 - HA ARG 57 - HD3 LYS 45 lone 1 36 - 2 - HB3 SER 89 - HD3 LYS 63 lone 1 73 - 1 - HB3 SER 89 - HD3 LYS 45 lone 1 71 - 1 - HB2 SER 29 - HD3 LYS 45 lone 1 61 - 1 - HB3 SER 96 - HD3 LYS 94 lone 1 63 - 1 - HB3 SER 96 - HD2 LYS 94 lone 1 63 - 1 - HA ARG 57 - HD2 LYS 45 lone 1 32 - 2 - HB3 SER 89 - HD2 LYS 45 lone 1 65 - 1 - HB2 SER 29 - HD2 LYS 45 lone 1 55 - 1 - HB3 SER 96 - HD2 LYS 61 lone 0 52 - 1 - HB3 SER 96 - HD3 LYS 61 lone 0 52 - 1 - HB3 SER 96 - HD2 LYS 77 lone 0 40 - 1 - HB3 SER 96 - HD3 LYS 45 lone 0 42 - 1 - HB3 SER 96 - HD3 LYS 63 lone 0 44 - 1 - HA SER 75 - HG12 ILE 27 lone 0 24 - 1 - HB3 SER 96 - HD2 LYS 45 lone 0 38 - 1 - HA ARG 57 - HG12 ILE 27 lone 0 21 - 1 - Peak 2212 from cnoeabs.peaks (1.86, 1.68, 28.46 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.82: HD3 LYS 77 + HD2 LYS 77 OK 67 67 - 100 - 1.8=100 HB ILE 27 + HG12 ILE 27 OK 44 44 - 100 - 2.8=100 Reference assignment not found: HB2 LYS 44 - HD2 LYS 44 Peak 2213 from cnoeabs.peaks (1.86, 1.68, 28.46 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.83: HD3 LYS 77 + HD2 LYS 77 OK 69 69 - 100 - 1.8=100 HB ILE 27 + HG12 ILE 27 OK 45 45 - 100 - 2.8=100 Reference assignment not found: HB3 LYS 44 - HD2 LYS 44 Peak 2214 from cnoeabs.peaks (1.47, 1.68, 28.46 ppm; 2.78 A): 2 out of 88 assignments used, quality = 0.99: * HG2 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=82, 2198/1.8=10...(22) HG2 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=82, 2198/1.8=10...(22) HG2 LYS 44 - HD2 LYS 61 OK 18 85 - 22 - 2198=3, 2198/1.8=2...(5) HG2 LYS 44 - HD3 LYS 61 OK 18 85 - 22 - 2198=3, 2198/1.8=2...(5) HB ILE 51 - HG12 ILE 27 OK 18 38 - 48 - 5748/3.2=9, 5748/2.1=9...(14) QB ALA 31 - HG12 ILE 27 OK 15 43 - 35 - 7178/2.1=9, 5081/3.8=8...(8) HG LEU 53 - HG12 ILE 27 OK 13 24 - 54 - ~4980=9, ~4975=9...(16) HG2 LYS 44 - HD3 LYS 45 OK 12 72 - 16 - 2199=2, 2199/1.8=1...(5) HG2 LYS 44 - HD2 LYS 45 OK 11 66 - 16 - 2199=2, 2199/1.8=1...(5) HG12 ILE 80 - HD2 LYS 77 poor 9 51 - 18 - ~6426=5, 6520/4.6=3...(8) HG2 LYS 44 - HD2 LYS 94 lone 8 97 - 8 - 2198=1 HG2 LYS 44 - HD3 LYS 94 lone 8 97 - 8 - 2198=1 QB ALA 31 - HD3 LYS 45 poor 8 68 - 11 - 5095/3.6=2, 5095/3.6=2...(6) QB ALA 31 - HD2 LYS 45 poor 7 62 - 11 - 5095/3.6=2, 5095/3.6=2...(6) HB2 LYS 41 - HD3 LYS 45 lone 6 72 - 8 - 2061/2.9=2, 2078/2.9=1 HB2 LYS 41 - HD3 LYS 61 lone 6 85 - 7 - 2064/2.9=1 HB2 LYS 41 - HD2 LYS 61 lone 6 85 - 7 - 2064/2.9=1 HB2 LYS 41 - HD2 LYS 45 lone 5 65 - 8 - 2061/2.9=2, 2078/2.9=1 QB ALA 31 - HD2 LYS 44 lone 5 98 - 5 - QB ALA 31 - HD3 LYS 44 lone 5 98 - 5 - QG2 THR 67 - HG12 ILE 27 poor 5 32 - 14 - 6092/1.8=3, 4978/2.1=3...(7) HB2 LYS 41 - HD2 LYS 94 lone 4 97 - 4 - HB2 LYS 41 - HD3 LYS 94 lone 4 97 - 4 - HB ILE 51 - HD2 LYS 44 lone 4 92 - 4 - HB ILE 51 - HD3 LYS 44 lone 4 92 - 4 - QB ALA 31 - HD2 LYS 94 lone 4 94 - 4 - QB ALA 31 - HD3 LYS 94 lone 4 94 - 4 - HG2 LYS 44 - HG12 ILE 27 lone 4 46 - 8 - 4978/2.1=1 HG2 LYS 86 - HD3 LYS 94 lone 3 70 - 5 - 3588/3.4=1 HG2 LYS 86 - HD2 LYS 94 lone 3 70 - 5 - 3588/3.4=1 HG12 ILE 80 - HG12 ILE 27 poor 3 32 - 11 - 4978/2.1=2, ~6504=1...(4) HB ILE 51 - HD2 LYS 94 lone 3 86 - 4 - HB ILE 51 - HD3 LYS 94 lone 3 86 - 4 - QB ALA 31 - HD2 LYS 61 lone 2 81 - 3 - QB ALA 31 - HD3 LYS 61 lone 2 81 - 3 - HB2 LYS 41 - HG12 ILE 27 lone 2 45 - 5 - 4978/2.1=1 QB ALA 31 - HD3 LYS 63 lone 2 70 - 3 - 5093/1.8=1 HB2 LYS 41 - HD2 LYS 44 lone 2 100 - 2 - HB2 LYS 41 - HD3 LYS 44 lone 2 100 - 2 - HB ILE 51 - HD3 LYS 63 lone 2 63 - 3 - QB ALA 31 - HD2 LYS 77 lone 2 65 - 2 - HG2 LYS 44 - HD3 LYS 63 lone 1 75 - 2 - HB ILE 51 - HD2 LYS 61 lone 1 73 - 2 - HB ILE 51 - HD3 LYS 61 lone 1 73 - 2 - HG2 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HG2 LYS 86 - HD2 LYS 44 lone 1 76 - 2 - HG2 LYS 86 - HD3 LYS 44 lone 1 76 - 2 - HG2 LYS 86 - HD3 LYS 61 lone 1 58 - 2 - HG2 LYS 86 - HD2 LYS 61 lone 1 58 - 2 - HG2 LYS 86 - HD3 LYS 63 lone 1 49 - 2 - HG12 ILE 80 - HD3 LYS 94 lone 1 77 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 77 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HD3 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 64 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 64 - 1 - HB2 LYS 41 - HD2 LYS 77 lone 1 69 - 1 - QG2 THR 67 - HD3 LYS 63 lone 1 55 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 77 - 1 - QG2 THR 67 - HD2 LYS 94 lone 1 77 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 1 53 - 1 - HG12 ILE 80 - HD3 LYS 63 lone 1 55 - 1 - HB ILE 51 - HD2 LYS 77 lone 1 58 - 1 - HG2 LYS 86 - HG12 ILE 27 lone 1 29 - 2 - HG2 LYS 86 - HD3 LYS 45 lone 1 47 - 1 - HB ILE 51 - HD3 LYS 45 lone 1 61 - 1 - QG2 THR 67 - HD2 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HD3 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HD2 LYS 45 lone 1 48 - 1 - HB2 LYS 41 - HD3 LYS 63 lone 1 74 - 1 - HG LEU 53 - HD3 LYS 94 lone 1 60 - 1 - HG LEU 53 - HD2 LYS 94 lone 1 60 - 1 - HB ILE 51 - HD2 LYS 45 lone 1 55 - 1 - HG2 LYS 86 - HD2 LYS 45 lone 1 43 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 64 - 1 - HG12 ILE 80 - HD2 LYS 61 lone 0 64 - 1 - HG LEU 53 - HD2 LYS 77 lone 0 38 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 51 - 1 - HG LEU 53 - HD2 LYS 44 lone 0 65 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 65 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 53 - 0 - HG LEU 53 - HD3 LYS 61 lone 0 49 - 0 - HG LEU 53 - HD2 LYS 61 lone 0 49 - 0 - QG2 THR 67 - HD2 LYS 45 lone 0 48 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 45 - 0 - HG LEU 53 - HD3 LYS 45 lone 0 40 - 0 - HG LEU 53 - HD3 LYS 63 lone 0 42 - 0 - HG LEU 53 - HD2 LYS 45 lone 0 36 - 0 - Peak 2215 from cnoeabs.peaks (1.55, 1.68, 28.46 ppm; 2.50 A): 4 out of 99 assignments used, quality = 0.99: * HG3 LYS 44 + HD2 LYS 44 OK 77 100 - 77 - 3.0=60, 1.8/2198=8...(14) HG3 LYS 44 + HD3 LYS 44 OK 77 100 - 77 - 3.0=60, 1.8/2198=8...(14) HB3 LYS 94 + HD2 LYS 94 OK 60 83 - 73 - 3.4=38, 3887/2.9=10...(30) HB3 LYS 94 + HD3 LYS 94 OK 60 83 - 73 - 3.4=38, 3887/2.9=10...(30) HG2 LYS 77 - HD2 LYS 77 OK 43 60 - 72 - 3.0=60, 1.8/3296=4...(15) HG3 LYS 77 - HD2 LYS 77 OK 42 58 - 72 - 3.0=60, 1.8/3296=4...(15) HB3 LYS 63 - HD3 LYS 63 OK 27 46 - 60 - 3.9=26, 2912/1.8=6...(22) HB3 PRO 49 - HG12 ILE 27 OK 17 43 - 40 - 4965/3.2=8, 5638/2.1=7...(14) HG3 LYS 44 - HD3 LYS 61 OK 14 85 - 16 - 2207=2, 1.8/2198=2, 2207/1.8=1 HG3 LYS 44 - HD2 LYS 61 OK 14 85 - 16 - 2207=2, 1.8/2198=2, 2207/1.8=1 HB3 LYS 63 - HD3 LYS 94 OK 13 65 - 20 - 1.8/2903=2, 3887/2.9=2...(7) HB3 LYS 63 - HD2 LYS 94 OK 13 65 - 20 - 1.8/2903=2, 3887/2.9=2...(7) HB3 LYS 94 - HD3 LYS 63 OK 10 60 - 17 - 3870=1, 2.9/3891=1, 2.9/3881=1 HB3 LYS 94 - HD3 LYS 61 OK 10 70 - 14 - 3870=1, 3871/1.8=1 HB3 LYS 94 - HD2 LYS 61 OK 10 70 - 14 - 3871=1, 3871/1.8=1 HG3 LYS 44 - HD3 LYS 45 poor 8 72 - 12 - 192/6.3=2, 2208=1, 1.8/2199=1 HG3 LYS 44 - HD2 LYS 45 poor 8 66 - 12 - 192/6.3=2, 2208=1, 1.8/2199=1 HB3 LYS 94 - HD3 LYS 45 poor 7 58 - 12 - 3868/2.9=1 HB3 LYS 94 - HD2 LYS 44 lone 7 89 - 7 - HB3 LYS 94 - HD2 LYS 45 poor 7 52 - 13 - 3868/2.9=1 HB3 LYS 94 - HD3 LYS 44 lone 7 89 - 7 - HB3 LYS 63 - HD3 LYS 61 poor 7 54 - 12 - 1.8/2903=1 HB3 LYS 63 - HD2 LYS 61 poor 7 54 - 12 - 1.8/2903=1 HG3 LYS 44 - HD2 LYS 94 lone 6 97 - 7 - HG3 LYS 44 - HD3 LYS 94 lone 6 97 - 7 - HD2 LYS 86 - HD2 LYS 94 lone 6 91 - 7 - 3606/2.9=2, 3887/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 6 91 - 7 - 3606/2.9=2, 3887/2.9=1 HB3 LEU 62 - HD3 LYS 61 poor 5 47 - 10 - 3.6/278=2 HB3 LEU 62 - HD2 LYS 61 poor 5 47 - 10 - 3.6/278=2 HB3 LYS 63 - HD3 LYS 45 lone 3 44 - 8 - HB3 LEU 62 - HD3 LYS 94 lone 3 58 - 6 - HB3 LEU 62 - HD2 LYS 94 lone 3 58 - 6 - HB3 LYS 63 - HD2 LYS 77 lone 3 42 - 8 - 2912/3.0=1, 2912/3.0=1...(4) HB3 PRO 49 - HD2 LYS 44 lone 3 98 - 3 - HB3 PRO 49 - HD3 LYS 44 lone 3 98 - 3 - HB3 LYS 63 - HD2 LYS 45 lone 3 39 - 8 - HG2 LYS 77 - HD2 LYS 44 lone 3 93 - 3 - HG3 LYS 77 - HD2 LYS 44 lone 3 92 - 3 - HG2 LYS 77 - HD3 LYS 44 lone 3 93 - 3 - HG3 LYS 77 - HD3 LYS 44 lone 3 92 - 3 - HB3 PRO 49 - HD2 LYS 94 lone 3 94 - 3 - HB3 PRO 49 - HD3 LYS 94 lone 3 94 - 3 - HB3 PRO 49 - HD3 LYS 63 lone 3 70 - 4 - HB3 LEU 62 - HD3 LYS 63 lone 2 40 - 6 - 4.4/887=1, 3.6/277=1 HG3 LYS 44 - HG12 ILE 27 lone 2 46 - 5 - 4965/3.2=1 HB3 LYS 63 - HD2 LYS 44 lone 2 71 - 3 - HB3 LYS 63 - HD3 LYS 44 lone 2 71 - 3 - HD2 LYS 86 - HD2 LYS 44 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 44 lone 2 96 - 2 - HG2 LYS 77 - HD3 LYS 63 lone 2 65 - 3 - HG3 LYS 77 - HD3 LYS 63 lone 2 63 - 3 - HD2 LYS 86 - HD2 LYS 61 lone 2 78 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 2 78 - 2 - HD2 LYS 86 - HD3 LYS 63 lone 2 67 - 2 - HG2 LYS 77 - HD3 LYS 61 lone 2 75 - 2 - HG2 LYS 77 - HD2 LYS 61 lone 2 75 - 2 - HG3 LYS 77 - HD2 LYS 61 lone 2 73 - 2 - HG3 LYS 77 - HD3 LYS 61 lone 2 73 - 2 - HG2 LYS 77 - HD3 LYS 45 lone 1 62 - 2 - HG3 LYS 77 - HD3 LYS 45 lone 1 61 - 2 - HG3 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HG2 LYS 77 - HD2 LYS 45 lone 1 57 - 2 - HG3 LYS 77 - HD2 LYS 45 lone 1 55 - 2 - HG3 LYS 44 - HD3 LYS 63 lone 1 75 - 1 - HG2 LYS 77 - HD2 LYS 94 lone 1 88 - 1 - HG2 LYS 77 - HD3 LYS 94 lone 1 88 - 1 - HG3 LYS 77 - HD2 LYS 94 lone 1 86 - 1 - HG3 LYS 77 - HD3 LYS 94 lone 1 86 - 1 - HB3 GLU 87 - HD2 LYS 61 lone 1 84 - 1 - HB3 GLU 87 - HD3 LYS 61 lone 1 84 - 1 - HB3 GLU 87 - HG12 ILE 27 lone 1 45 - 2 - HD2 LYS 86 - HD3 LYS 45 lone 1 65 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 63 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 63 - 1 - HD2 LYS 86 - HG12 ILE 27 lone 1 40 - 2 - HD2 LYS 86 - HD2 LYS 45 lone 1 59 - 1 - HB3 PRO 49 - HD3 LYS 61 lone 1 81 - 1 - HB3 PRO 49 - HD2 LYS 61 lone 1 81 - 1 - HB3 GLU 87 - HD2 LYS 94 lone 1 96 - 1 - HB3 GLU 87 - HD3 LYS 94 lone 1 96 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 38 - 2 - HB3 PRO 49 - HD2 LYS 77 lone 1 65 - 1 - HB3 PRO 49 - HD3 LYS 45 lone 1 68 - 1 - HB3 LEU 62 - HD2 LYS 45 lone 1 34 - 2 - HB3 PRO 49 - HD2 LYS 45 lone 1 62 - 1 - HG2 LYS 77 - HG12 ILE 27 lone 1 39 - 1 - HG3 LYS 77 - HG12 ILE 27 lone 0 38 - 1 - HB3 GLU 87 - HD2 LYS 44 lone 0 100 - 0 - HB3 GLU 87 - HD3 LYS 44 lone 0 100 - 0 - HB3 LYS 94 - HD2 LYS 77 lone 0 55 - 1 - HB3 LYS 94 - HG12 ILE 27 lone 0 35 - 1 - HB3 GLU 87 - HD2 LYS 77 lone 0 68 - 0 - HB3 GLU 87 - HD3 LYS 63 lone 0 73 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 62 - 0 - HB3 LEU 62 - HD2 LYS 77 lone 0 36 - 1 - HB3 GLU 87 - HD3 LYS 45 lone 0 71 - 0 - HB3 GLU 87 - HD2 LYS 45 lone 0 65 - 0 - HB3 LYS 63 - HG12 ILE 27 lone 0 26 - 1 - HB3 LEU 62 - HG12 ILE 27 lone 0 23 - 0 - Peak 2216 from cnoeabs.peaks (1.68, 1.68, 28.46 ppm; diagonal): 9 out of 11 assignments used, quality = 1.00: * HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 97 97 - 100 HD3 LYS 94 + HD3 LYS 94 OK 97 97 - 100 HD3 LYS 61 + HD3 LYS 61 OK 85 85 - 100 HD2 LYS 61 + HD2 LYS 61 OK 85 85 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HD3 LYS 45 + HD3 LYS 45 OK 53 53 - 100 HD2 LYS 77 + HD2 LYS 77 OK 49 49 - 100 HD2 LYS 45 - HD2 LYS 45 OK 44 44 - 100 HG12 ILE 27 - HG12 ILE 27 OK 29 29 - 100 Peak 2217 from cnoeabs.peaks (1.68, 1.68, 28.46 ppm; diagonal): 10 out of 11 assignments used, quality = 1.00: HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD3 LYS 61 + HD3 LYS 61 OK 85 85 - 100 HD2 LYS 61 + HD2 LYS 61 OK 85 85 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HD3 LYS 45 + HD3 LYS 45 OK 55 55 - 100 HD2 LYS 77 + HD2 LYS 77 OK 51 51 - 100 HD2 LYS 45 + HD2 LYS 45 OK 46 46 - 100 HG12 ILE 27 - HG12 ILE 27 OK 27 27 - 100 Reference assignment not found: HD3 LYS 44 - HD2 LYS 44 Peak 2218 from cnoeabs.peaks (3.02, 1.68, 28.46 ppm; 2.83 A): 8 out of 99 assignments used, quality = 1.00: * HE2 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(31) HE3 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE3 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE3 LYS 61 + HD2 LYS 61 OK 71 75 - 94 - 2.9=90, 1.8/2831=3...(23) HE3 LYS 61 + HD3 LYS 61 OK 71 75 - 94 - 2.9=90, 1.8/2831=3...(23) HE2 LYS 61 + HD3 LYS 61 OK 69 73 - 95 - 2.9=90, 2831/1.8=3...(23) HE2 LYS 61 + HD2 LYS 61 OK 69 73 - 95 - 2.9=90, 2831/1.8=3...(23) HE3 LYS 45 - HD3 LYS 45 OK 43 47 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD3 LYS 45 OK 43 47 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD2 LYS 45 OK 39 43 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 45 - HD2 LYS 45 OK 39 43 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 61 - HD3 LYS 44 OK 14 93 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 61 - HD2 LYS 44 OK 14 93 - 15 - 2200/3.0=1, 2209/3.0=1 HE2 LYS 61 - HD2 LYS 44 OK 14 92 - 15 - 2201/3.0=2, 2210/3.0=1 HE2 LYS 61 - HD3 LYS 44 OK 14 92 - 15 - 2201/3.0=2, 2210/3.0=1 HE3 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE3 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE2 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE2 LYS 61 - HD2 LYS 94 poor 10 86 - 12 - HE2 LYS 61 - HD3 LYS 94 poor 10 86 - 12 - HE3 LYS 61 - HD2 LYS 94 lone 9 88 - 10 - HE3 LYS 61 - HD3 LYS 94 lone 9 88 - 10 - HE2 LYS 45 - HD3 LYS 94 poor 8 70 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 8 70 - 12 - HE3 LYS 45 - HD3 LYS 94 poor 8 70 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 8 70 - 12 - HE2 LYS 45 - HD3 LYS 44 poor 8 76 - 10 - HE3 LYS 45 - HD3 LYS 44 poor 8 76 - 10 - HE2 LYS 45 - HD2 LYS 44 poor 8 76 - 10 - HE3 LYS 45 - HD2 LYS 44 poor 8 76 - 10 - HE2 LYS 35 - HD2 LYS 61 lone 7 85 - 8 - HE3 LYS 35 - HD3 LYS 61 lone 7 85 - 8 - HE2 LYS 35 - HD3 LYS 61 lone 7 85 - 8 - HE3 LYS 35 - HD2 LYS 61 lone 7 85 - 8 - HE3 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 45 lone 5 72 - 7 - HE2 LYS 44 - HD3 LYS 45 lone 5 72 - 7 - HE3 LYS 44 - HD2 LYS 45 lone 5 66 - 7 - HE2 LYS 44 - HD2 LYS 45 lone 5 66 - 7 - HE3 LYS 45 - HD3 LYS 61 lone 4 58 - 7 - HE3 LYS 45 - HD2 LYS 61 lone 4 58 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 4 58 - 7 - HE2 LYS 45 - HD2 LYS 61 lone 4 58 - 7 - HE2 LYS 61 - HD3 LYS 63 lone 4 63 - 6 - HE3 LYS 61 - HD3 LYS 45 lone 3 62 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 65 - 5 - HE2 LYS 61 - HD3 LYS 45 lone 3 61 - 5 - HE3 LYS 35 - HD2 LYS 94 lone 3 97 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 3 97 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 3 97 - 3 - HE2 LYS 35 - HD2 LYS 94 lone 3 97 - 3 - HE3 LYS 61 - HD2 LYS 45 lone 3 57 - 5 - HE2 LYS 61 - HD2 LYS 45 lone 3 55 - 5 - HB2 SER 75 - HD2 LYS 61 lone 2 64 - 4 - HB2 SER 75 - HD3 LYS 61 lone 2 64 - 4 - HE3 LYS 45 - HD3 LYS 63 lone 2 49 - 5 - HE2 LYS 45 - HD3 LYS 63 lone 2 49 - 5 - HE3 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HE3 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE2 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE2 LYS 61 - HD2 LYS 77 lone 1 58 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 83 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 83 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 1 72 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 1 72 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 46 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 46 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 1 69 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 1 69 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 1 65 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 1 65 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 45 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 45 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 53 - 1 - HB2 SER 75 - HD3 LYS 63 lone 1 55 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 48 - 1 - HB2 SER 75 - HD3 LYS 94 lone 0 77 - 0 - HB2 SER 75 - HD2 LYS 94 lone 0 77 - 0 - HB2 SER 75 - HD2 LYS 77 lone 0 51 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 45 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 45 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 39 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 38 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 32 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 29 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 29 - 0 - Peak 2219 from cnoeabs.peaks (3.02, 1.68, 28.46 ppm; 2.83 A): 8 out of 99 assignments used, quality = 1.00: * HE3 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(31) HE3 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 61 + HD2 LYS 61 OK 71 75 - 95 - 2.9=90, 2830/1.8=3...(23) HE2 LYS 61 + HD3 LYS 61 OK 71 75 - 95 - 2.9=90, 2830/1.8=3...(23) HE3 LYS 61 + HD3 LYS 61 OK 69 73 - 94 - 2.9=90, 1.8/2831=3...(23) HE3 LYS 61 + HD2 LYS 61 OK 69 73 - 94 - 2.9=90, 1.8/2831=3...(23) HE3 LYS 45 - HD3 LYS 45 OK 42 46 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD3 LYS 45 OK 42 46 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 45 - HD2 LYS 45 OK 38 41 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD2 LYS 45 OK 38 41 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 61 - HD2 LYS 44 OK 14 93 - 15 - 2201/3.0=2, 2210/3.0=1 HE2 LYS 61 - HD3 LYS 44 OK 14 93 - 15 - 2201/3.0=2, 2210/3.0=1 HE3 LYS 61 - HD3 LYS 44 OK 14 92 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 61 - HD2 LYS 44 OK 14 92 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE3 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 61 - HD3 LYS 94 OK 10 88 - 12 - HE2 LYS 61 - HD2 LYS 94 OK 10 88 - 12 - HE2 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE2 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE3 LYS 61 - HD2 LYS 94 lone 8 86 - 10 - HE3 LYS 61 - HD3 LYS 94 lone 8 86 - 10 - HE3 LYS 45 - HD3 LYS 94 poor 8 68 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 8 68 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 8 68 - 12 - HE2 LYS 45 - HD3 LYS 94 poor 8 68 - 12 - HE3 LYS 45 - HD3 LYS 44 poor 8 73 - 10 - HE2 LYS 45 - HD3 LYS 44 poor 8 73 - 10 - HE2 LYS 45 - HD2 LYS 44 poor 8 73 - 10 - HE3 LYS 45 - HD2 LYS 44 poor 8 73 - 10 - HE2 LYS 35 - HD3 LYS 61 lone 7 85 - 9 - HE2 LYS 35 - HD2 LYS 61 lone 7 85 - 9 - HE3 LYS 35 - HD3 LYS 61 lone 7 85 - 9 - HE3 LYS 35 - HD2 LYS 61 lone 7 85 - 9 - HE3 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 45 lone 5 72 - 7 - HE2 LYS 44 - HD3 LYS 45 lone 5 72 - 7 - HE3 LYS 44 - HD2 LYS 45 lone 5 66 - 7 - HE2 LYS 44 - HD2 LYS 45 lone 5 66 - 7 - HE3 LYS 45 - HD3 LYS 61 lone 4 56 - 7 - HE3 LYS 45 - HD2 LYS 61 lone 4 56 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 4 56 - 7 - HE2 LYS 45 - HD2 LYS 61 lone 4 56 - 7 - HE2 LYS 61 - HD3 LYS 63 lone 4 65 - 6 - HE2 LYS 61 - HD3 LYS 45 lone 3 62 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 3 61 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 63 - 5 - HE3 LYS 35 - HD2 LYS 94 lone 3 97 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 3 97 - 3 - HE2 LYS 35 - HD2 LYS 94 lone 3 97 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 3 97 - 3 - HE2 LYS 61 - HD2 LYS 45 lone 3 57 - 5 - HE3 LYS 61 - HD2 LYS 45 lone 3 55 - 5 - HB2 SER 75 - HD2 LYS 61 lone 2 66 - 4 - HB2 SER 75 - HD3 LYS 61 lone 2 66 - 4 - HE2 LYS 45 - HD3 LYS 63 lone 2 47 - 4 - HE3 LYS 45 - HD3 LYS 63 lone 2 47 - 4 - HE3 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 69 - 2 - HE2 LYS 35 - HD3 LYS 63 lone 1 75 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 75 - 1 - HE2 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 85 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 85 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 58 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 1 72 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 1 72 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 46 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 46 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 1 69 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 1 69 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 1 66 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 1 66 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 55 - 1 - HB2 SER 75 - HD3 LYS 63 lone 1 57 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 44 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 44 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 49 - 1 - HB2 SER 75 - HD2 LYS 94 lone 0 79 - 1 - HB2 SER 75 - HD3 LYS 94 lone 0 79 - 1 - HB2 SER 75 - HD2 LYS 77 lone 0 52 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 45 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 45 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 39 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 38 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 33 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 27 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 27 - 0 - Peak 2220 from cnoeabs.peaks (3.99, 1.68, 28.46 ppm; 3.79 A): 3 out of 77 assignments used, quality = 0.92: * HA LYS 44 + HD3 LYS 44 OK 67 100 - 67 - 5.4=35, 3.7/2198=10...(17) HA LYS 44 + HD2 LYS 44 OK 67 100 - 67 - 5.4=35, 3.7/2198=10...(17) HA GLU 28 + HG12 ILE 27 OK 30 39 - 77 - 4947/3.2=15, 4992/2.1=12...(17) HA LYS 44 - HD3 LYS 61 OK 18 85 - 22 - 2171=4, 2171/1.8=3...(9) HA LYS 44 - HD2 LYS 61 OK 18 85 - 22 - 2171=4, 2171/1.8=3...(9) HA GLU 28 - HD3 LYS 44 OK 18 97 - 19 - 4413/3.0=4, 4994/3.8=2...(8) HA GLU 28 - HD2 LYS 44 OK 18 97 - 18 - 4413/3.0=4, 4994/3.8=2...(8) HA LYS 44 - HD3 LYS 45 OK 12 75 - 16 - 3.6/793=3, 2172=2...(4) HA LYS 44 - HD2 LYS 45 OK 11 69 - 16 - 3.6/793=3, 2172=2...(4) HA LYS 44 - HD3 LYS 94 lone 8 97 - 8 - 2171=2, 2171/1.8=1 HA LYS 44 - HD2 LYS 94 lone 8 97 - 8 - 2171=2, 2171/1.8=1 HA LYS 44 - HG12 ILE 27 poor 5 43 - 11 - 4947/3.2=3, 4943/2.8=2...(4) HA SER 75 - HD3 LYS 61 lone 4 49 - 9 - 4460/3.0=2, 4460/3.0=1, ~6354=1 HA SER 75 - HD2 LYS 61 lone 4 49 - 9 - 4460/3.0=2, 4460/3.0=1, ~6354=1 HB2 SER 29 - HG12 ILE 27 poor 4 35 - 10 - 4941/3.8=4, 4947/3.2=3 HA GLU 28 - HD3 LYS 94 lone 3 91 - 4 - HA GLU 28 - HD2 LYS 94 lone 3 91 - 4 - HA GLU 28 - HD3 LYS 63 lone 3 68 - 4 - 4994/3.9=1 HB3 SER 96 - HG12 ILE 27 poor 3 23 - 11 - 4947/3.2=3, 4943/2.8=3...(6) HB3 SER 89 - HD2 LYS 77 lone 3 71 - 4 - ~3311=1 HB3 SER 89 - HD3 LYS 61 lone 3 84 - 3 - 6736/6.0=2 HB3 SER 89 - HD2 LYS 61 lone 3 84 - 3 - 6736/6.0=2 HA GLU 28 - HD3 LYS 45 lone 2 69 - 4 - 4415/6.3=2 HA SER 75 - HD2 LYS 77 lone 3 40 - 6 - 1176/6.3=4, 4459/355=1 HA GLU 28 - HD3 LYS 61 lone 2 79 - 3 - HA GLU 28 - HD2 LYS 61 lone 2 79 - 3 - HA GLU 28 - HD2 LYS 45 lone 2 63 - 4 - 4415/6.3=2 HA LYS 44 - HD2 LYS 77 lone 2 73 - 3 - HA LYS 44 - HD3 LYS 63 lone 2 75 - 3 - HB2 SER 29 - HD2 LYS 77 lone 2 61 - 3 - 5028/3.7=1 HA ARG 57 - HD3 LYS 61 lone 2 45 - 4 - HA ARG 57 - HD2 LYS 61 lone 2 45 - 4 - HA SER 75 - HD3 LYS 44 lone 2 65 - 3 - HA SER 75 - HD2 LYS 44 lone 2 65 - 3 - HB3 SER 89 - HD3 LYS 44 lone 2 100 - 2 - HB3 SER 89 - HD2 LYS 44 lone 2 100 - 2 - HB2 SER 29 - HD3 LYS 44 lone 1 92 - 2 - HB2 SER 29 - HD2 LYS 44 lone 1 92 - 2 - HA SER 75 - HD3 LYS 45 lone 2 42 - 4 - HA SER 75 - HD3 LYS 63 lone 1 42 - 3 - HA SER 75 - HD2 LYS 45 lone 1 38 - 3 - HA ARG 57 - HD3 LYS 63 lone 1 38 - 3 - HA ARG 57 - HD3 LYS 94 lone 1 55 - 2 - HA ARG 57 - HD2 LYS 94 lone 1 55 - 2 - HA ARG 57 - HD3 LYS 44 lone 1 60 - 2 - HA ARG 57 - HD2 LYS 44 lone 1 60 - 2 - HA GLU 28 - HD2 LYS 77 lone 1 66 - 2 - HA ARG 57 - HD2 LYS 77 lone 1 36 - 3 - HB2 SER 29 - HD2 LYS 61 lone 1 73 - 1 - HB2 SER 29 - HD3 LYS 61 lone 1 73 - 1 - HB3 SER 89 - HG12 ILE 27 lone 1 42 - 2 - HB2 SER 29 - HD3 LYS 94 lone 1 86 - 1 - HB2 SER 29 - HD2 LYS 94 lone 1 86 - 1 - HB3 SER 89 - HD3 LYS 94 lone 1 96 - 1 - HB3 SER 89 - HD2 LYS 94 lone 1 96 - 1 - HB2 SER 29 - HD3 LYS 63 lone 1 63 - 1 - HA SER 75 - HD2 LYS 94 lone 1 60 - 1 - HA SER 75 - HD3 LYS 94 lone 1 60 - 1 - HA ARG 57 - HD3 LYS 45 lone 1 38 - 2 - HB3 SER 96 - HD3 LYS 44 lone 1 68 - 1 - HB3 SER 96 - HD2 LYS 44 lone 1 68 - 1 - HB3 SER 89 - HD3 LYS 45 lone 1 74 - 1 - HB3 SER 89 - HD3 LYS 63 lone 1 73 - 1 - HB2 SER 29 - HD3 LYS 45 lone 1 64 - 1 - HA ARG 57 - HD2 LYS 45 lone 1 34 - 2 - HB3 SER 89 - HD2 LYS 45 lone 1 68 - 1 - HB3 SER 96 - HD2 LYS 94 lone 1 62 - 1 - HB3 SER 96 - HD3 LYS 94 lone 1 62 - 1 - HB2 SER 29 - HD2 LYS 45 lone 1 58 - 1 - HB3 SER 96 - HD3 LYS 61 lone 0 52 - 1 - HB3 SER 96 - HD2 LYS 61 lone 0 52 - 1 - HB3 SER 96 - HD2 LYS 77 lone 0 42 - 1 - HB3 SER 96 - HD3 LYS 45 lone 0 44 - 1 - HB3 SER 96 - HD3 LYS 63 lone 0 44 - 1 - HB3 SER 96 - HD2 LYS 45 lone 0 40 - 1 - HA SER 75 - HG12 ILE 27 lone 0 22 - 1 - HA ARG 57 - HG12 ILE 27 lone 0 20 - 1 - Peak 2221 from cnoeabs.peaks (1.86, 1.68, 28.46 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.82: HD3 LYS 77 + HD2 LYS 77 OK 70 70 - 100 - 1.8=100 HB ILE 27 + HG12 ILE 27 OK 42 42 - 100 - 2.8=100 Reference assignment not found: HB2 LYS 44 - HD3 LYS 44 Peak 2222 from cnoeabs.peaks (1.86, 1.68, 28.46 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.84: HD3 LYS 77 + HD2 LYS 77 OK 72 72 - 100 - 1.8=100 HB ILE 27 + HG12 ILE 27 OK 43 43 - 100 - 2.8=100 Reference assignment not found: HB3 LYS 44 - HD3 LYS 44 Peak 2223 from cnoeabs.peaks (1.47, 1.68, 28.46 ppm; 2.78 A): 2 out of 88 assignments used, quality = 0.99: HG2 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=82, 2198/1.8=10...(22) * HG2 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=82, 2198/1.8=10...(22) HG2 LYS 44 - HD2 LYS 61 OK 18 85 - 22 - 2198=3, 2198/1.8=2...(5) HG2 LYS 44 - HD3 LYS 61 OK 18 85 - 22 - 2198=3, 2198/1.8=2...(5) HB ILE 51 - HG12 ILE 27 OK 17 35 - 48 - 5748/3.2=9, 5748/2.1=9...(14) QB ALA 31 - HG12 ILE 27 OK 14 40 - 35 - 7178/2.1=9, 5081/3.8=8...(8) HG2 LYS 44 - HD3 LYS 45 OK 12 75 - 17 - 2199=2, 2199/1.8=1...(5) HG LEU 53 - HG12 ILE 27 OK 12 22 - 54 - ~4980=9, ~4975=9...(16) HG2 LYS 44 - HD2 LYS 45 OK 11 69 - 16 - 2199=2, 2199/1.8=1...(5) HG12 ILE 80 - HD2 LYS 77 poor 10 53 - 18 - ~6426=5, 6520/4.6=3...(8) QB ALA 31 - HD3 LYS 45 poor 8 71 - 11 - 5095/3.6=2, 5095/3.6=2...(6) HG2 LYS 44 - HD3 LYS 94 lone 8 97 - 8 - 2198=1 HG2 LYS 44 - HD2 LYS 94 lone 8 97 - 8 - 2198=1 QB ALA 31 - HD2 LYS 45 poor 8 65 - 11 - 5095/3.6=2, 5095/3.6=2...(6) HB2 LYS 41 - HD3 LYS 45 lone 6 75 - 8 - 2061/2.9=2, 2078/2.9=1 HB2 LYS 41 - HD3 LYS 61 lone 6 85 - 7 - 2064/2.9=1 HB2 LYS 41 - HD2 LYS 61 lone 6 85 - 7 - 2064/2.9=1 HB2 LYS 41 - HD2 LYS 45 lone 6 69 - 8 - 2061/2.9=2, 2078/2.9=1 QB ALA 31 - HD2 LYS 44 lone 5 98 - 5 - QB ALA 31 - HD3 LYS 44 lone 5 98 - 5 - QG2 THR 67 - HG12 ILE 27 poor 4 30 - 14 - 6092/1.8=3, 4978/2.1=3...(7) HB2 LYS 41 - HD2 LYS 94 lone 4 96 - 4 - HB2 LYS 41 - HD3 LYS 94 lone 4 96 - 4 - HB ILE 51 - HD2 LYS 44 lone 4 92 - 4 - HB ILE 51 - HD3 LYS 44 lone 4 92 - 4 - QB ALA 31 - HD2 LYS 94 lone 4 93 - 4 - QB ALA 31 - HD3 LYS 94 lone 4 93 - 4 - HG2 LYS 44 - HG12 ILE 27 lone 4 43 - 8 - 4978/2.1=1 HG2 LYS 86 - HD3 LYS 94 lone 3 70 - 5 - 3588/3.4=1 HG2 LYS 86 - HD2 LYS 94 lone 3 70 - 5 - 3588/3.4=1 HG12 ILE 80 - HG12 ILE 27 poor 3 30 - 11 - 4978/2.1=2, ~6504=1...(4) HB ILE 51 - HD2 LYS 94 lone 3 86 - 4 - HB ILE 51 - HD3 LYS 94 lone 3 86 - 4 - QB ALA 31 - HD3 LYS 61 lone 2 81 - 3 - QB ALA 31 - HD2 LYS 61 lone 2 81 - 3 - QB ALA 31 - HD3 LYS 63 lone 2 70 - 3 - 5093/1.8=1 HB2 LYS 41 - HG12 ILE 27 lone 2 43 - 5 - 4978/2.1=1 HB2 LYS 41 - HD3 LYS 44 lone 2 100 - 2 - HB2 LYS 41 - HD2 LYS 44 lone 2 100 - 2 - QB ALA 31 - HD2 LYS 77 lone 2 68 - 2 - HB ILE 51 - HD3 LYS 63 lone 2 63 - 3 - HG2 LYS 44 - HD3 LYS 63 lone 1 75 - 2 - HG2 LYS 44 - HD2 LYS 77 lone 1 73 - 2 - HB ILE 51 - HD2 LYS 61 lone 1 73 - 2 - HB ILE 51 - HD3 LYS 61 lone 1 73 - 2 - HG2 LYS 86 - HD2 LYS 44 lone 1 76 - 2 - HG2 LYS 86 - HD3 LYS 44 lone 1 76 - 2 - HG2 LYS 86 - HD3 LYS 61 lone 1 58 - 2 - HG2 LYS 86 - HD2 LYS 61 lone 1 58 - 2 - HG2 LYS 86 - HD3 LYS 63 lone 1 49 - 2 - HG12 ILE 80 - HD3 LYS 94 lone 1 76 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 76 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 1 83 - 1 - HB2 LYS 41 - HD2 LYS 77 lone 1 72 - 1 - HG12 ILE 80 - HD3 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 64 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 64 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 1 55 - 1 - QG2 THR 67 - HD3 LYS 63 lone 1 55 - 1 - QG2 THR 67 - HD2 LYS 94 lone 1 76 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 76 - 1 - HB ILE 51 - HD2 LYS 77 lone 1 61 - 1 - HG12 ILE 80 - HD3 LYS 63 lone 1 55 - 1 - HG2 LYS 86 - HD3 LYS 45 lone 1 50 - 1 - HB ILE 51 - HD3 LYS 45 lone 1 64 - 1 - HG12 ILE 80 - HD2 LYS 45 lone 1 50 - 1 - QG2 THR 67 - HD2 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HD3 LYS 44 lone 1 83 - 1 - HG2 LYS 86 - HG12 ILE 27 lone 1 27 - 2 - HB2 LYS 41 - HD3 LYS 63 lone 1 74 - 1 - HG LEU 53 - HD3 LYS 94 lone 1 60 - 1 - HG LEU 53 - HD2 LYS 94 lone 1 60 - 1 - HB ILE 51 - HD2 LYS 45 lone 1 58 - 1 - HG2 LYS 86 - HD2 LYS 45 lone 1 45 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 64 - 1 - HG12 ILE 80 - HD2 LYS 61 lone 0 64 - 1 - HG LEU 53 - HD2 LYS 77 lone 0 40 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 53 - 1 - HG LEU 53 - HD2 LYS 44 lone 0 65 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 65 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 55 - 0 - QG2 THR 67 - HD2 LYS 45 lone 0 50 - 0 - HG LEU 53 - HD2 LYS 61 lone 0 49 - 0 - HG LEU 53 - HD3 LYS 61 lone 0 49 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 48 - 0 - HG LEU 53 - HD3 LYS 45 lone 0 42 - 0 - HG LEU 53 - HD2 LYS 45 lone 0 38 - 0 - HG LEU 53 - HD3 LYS 63 lone 0 42 - 0 - Peak 2224 from cnoeabs.peaks (1.55, 1.68, 28.46 ppm; 2.50 A): 5 out of 99 assignments used, quality = 1.00: * HG3 LYS 44 + HD3 LYS 44 OK 77 100 - 77 - 3.0=60, 1.8/2198=8...(14) HG3 LYS 44 + HD2 LYS 44 OK 77 100 - 77 - 3.0=60, 1.8/2198=8...(14) HB3 LYS 94 + HD2 LYS 94 OK 60 82 - 73 - 3.4=38, 3887/2.9=10...(30) HB3 LYS 94 + HD3 LYS 94 OK 60 82 - 73 - 3.4=38, 3887/2.9=10...(30) HG2 LYS 77 + HD2 LYS 77 OK 45 63 - 73 - 3.0=60, 1.8/3296=4...(15) HG3 LYS 77 - HD2 LYS 77 OK 44 61 - 73 - 3.0=60, 1.8/3296=4...(15) HB3 LYS 63 - HD3 LYS 63 OK 27 45 - 60 - 3.9=26, 2912/1.8=6...(22) HB3 PRO 49 - HG12 ILE 27 OK 16 40 - 40 - 4965/3.2=8, 5638/2.1=7...(14) HG3 LYS 44 - HD2 LYS 61 OK 14 85 - 16 - 2207=2, 1.8/2198=2, 2207/1.8=1 HG3 LYS 44 - HD3 LYS 61 OK 14 85 - 16 - 2207=2, 1.8/2198=2, 2207/1.8=1 HB3 LYS 63 - HD3 LYS 94 OK 13 65 - 20 - 1.8/2903=2, 3887/2.9=2...(7) HB3 LYS 63 - HD2 LYS 94 OK 13 65 - 20 - 1.8/2903=2, 3887/2.9=2...(7) HB3 LYS 94 - HD3 LYS 63 OK 10 60 - 17 - 3870=1, 2.9/3890=1, 2.9/3880=1 HB3 LYS 94 - HD3 LYS 61 OK 10 70 - 14 - 3871=1, 3871/1.8=1 HB3 LYS 94 - HD2 LYS 61 OK 10 70 - 14 - 3871=1, 3871/1.8=1 HG3 LYS 44 - HD3 LYS 45 poor 9 75 - 12 - 192/6.3=2, 2208=1, 1.8/2199=1 HG3 LYS 44 - HD2 LYS 45 poor 8 69 - 12 - 192/6.3=2, 2208=1, 1.8/2199=1 HB3 LYS 94 - HD3 LYS 45 poor 7 60 - 12 - 3868/2.9=1 HB3 LYS 94 - HD2 LYS 45 poor 7 55 - 13 - 3868/2.9=1 HB3 LYS 94 - HD3 LYS 44 lone 7 89 - 7 - HB3 LYS 94 - HD2 LYS 44 lone 7 89 - 7 - HB3 LYS 63 - HD2 LYS 61 poor 7 54 - 12 - 1.8/2903=1 HB3 LYS 63 - HD3 LYS 61 poor 7 54 - 12 - 1.8/2903=1 HG3 LYS 44 - HD2 LYS 94 lone 6 97 - 7 - HG3 LYS 44 - HD3 LYS 94 lone 6 97 - 7 - HD2 LYS 86 - HD2 LYS 94 lone 6 90 - 7 - 3606/2.9=2, 3887/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 6 90 - 7 - 3606/2.9=2, 3887/2.9=1 HB3 LEU 62 - HD3 LYS 61 poor 5 47 - 10 - 3.6/278=2 HB3 LEU 62 - HD2 LYS 61 poor 5 47 - 10 - 3.6/278=2 HB3 LYS 63 - HD3 LYS 45 lone 4 46 - 8 - HB3 LYS 63 - HD2 LYS 77 lone 3 44 - 8 - 2912/3.0=1, 2912/3.0=1...(4) HB3 PRO 49 - HD2 LYS 44 lone 3 98 - 3 - HB3 LYS 63 - HD2 LYS 45 lone 3 42 - 8 - HB3 PRO 49 - HD3 LYS 44 lone 3 98 - 3 - HB3 LEU 62 - HD3 LYS 94 lone 3 57 - 6 - HB3 LEU 62 - HD2 LYS 94 lone 3 57 - 6 - HG2 LYS 77 - HD2 LYS 44 lone 3 93 - 3 - HG3 LYS 77 - HD2 LYS 44 lone 3 92 - 3 - HG2 LYS 77 - HD3 LYS 44 lone 3 93 - 3 - HG3 LYS 77 - HD3 LYS 44 lone 3 92 - 3 - HB3 PRO 49 - HD3 LYS 94 lone 3 93 - 3 - HB3 PRO 49 - HD2 LYS 94 lone 3 93 - 3 - HB3 PRO 49 - HD3 LYS 63 lone 3 70 - 4 - HB3 LEU 62 - HD3 LYS 63 lone 2 40 - 6 - 4.4/887=1, 3.6/278=1 HB3 LYS 63 - HD3 LYS 44 lone 2 71 - 3 - HB3 LYS 63 - HD2 LYS 44 lone 2 71 - 3 - HG3 LYS 44 - HG12 ILE 27 lone 2 43 - 5 - 4965/3.2=1 HD2 LYS 86 - HD2 LYS 44 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 44 lone 2 96 - 2 - HG2 LYS 77 - HD3 LYS 63 lone 2 65 - 3 - HG3 LYS 77 - HD3 LYS 63 lone 2 63 - 3 - HD2 LYS 86 - HD3 LYS 61 lone 2 78 - 2 - HD2 LYS 86 - HD2 LYS 61 lone 2 78 - 2 - HG2 LYS 77 - HD3 LYS 61 lone 2 75 - 2 - HG2 LYS 77 - HD2 LYS 61 lone 2 75 - 2 - HD2 LYS 86 - HD3 LYS 63 lone 2 67 - 2 - HG3 LYS 77 - HD3 LYS 61 lone 2 73 - 2 - HG3 LYS 77 - HD2 LYS 61 lone 2 73 - 2 - HG2 LYS 77 - HD3 LYS 45 lone 2 65 - 2 - HG3 LYS 77 - HD3 LYS 45 lone 2 64 - 2 - HG3 LYS 44 - HD2 LYS 77 lone 1 73 - 2 - HG2 LYS 77 - HD2 LYS 45 lone 1 59 - 2 - HG3 LYS 77 - HD2 LYS 45 lone 1 58 - 2 - HG3 LYS 44 - HD3 LYS 63 lone 1 75 - 1 - HG2 LYS 77 - HD2 LYS 94 lone 1 87 - 1 - HG2 LYS 77 - HD3 LYS 94 lone 1 87 - 1 - HG3 LYS 77 - HD2 LYS 94 lone 1 86 - 1 - HG3 LYS 77 - HD3 LYS 94 lone 1 86 - 1 - HB3 GLU 87 - HD3 LYS 61 lone 1 84 - 1 - HB3 GLU 87 - HD2 LYS 61 lone 1 84 - 1 - HD2 LYS 86 - HD3 LYS 45 lone 1 68 - 1 - HB3 GLU 87 - HG12 ILE 27 lone 1 42 - 2 - HB3 LEU 62 - HD3 LYS 44 lone 1 63 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 63 - 1 - HD2 LYS 86 - HD2 LYS 45 lone 1 62 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 40 - 2 - HB3 PRO 49 - HD2 LYS 61 lone 1 81 - 1 - HB3 PRO 49 - HD3 LYS 61 lone 1 81 - 1 - HD2 LYS 86 - HG12 ILE 27 lone 1 38 - 2 - HB3 GLU 87 - HD2 LYS 94 lone 1 96 - 1 - HB3 GLU 87 - HD3 LYS 94 lone 1 96 - 1 - HB3 PRO 49 - HD2 LYS 77 lone 1 68 - 1 - HB3 LEU 62 - HD2 LYS 45 lone 1 36 - 2 - HB3 PRO 49 - HD3 LYS 45 lone 1 71 - 1 - HB3 PRO 49 - HD2 LYS 45 lone 1 65 - 1 - HB3 GLU 87 - HD3 LYS 44 lone 0 100 - 0 - HB3 GLU 87 - HD2 LYS 44 lone 0 100 - 0 - HB3 LYS 94 - HD2 LYS 77 lone 0 58 - 1 - HG2 LYS 77 - HG12 ILE 27 lone 0 36 - 1 - HG3 LYS 77 - HG12 ILE 27 lone 0 35 - 1 - HB3 LYS 94 - HG12 ILE 27 lone 0 33 - 1 - HB3 GLU 87 - HD2 LYS 77 lone 0 71 - 0 - HB3 GLU 87 - HD3 LYS 63 lone 0 73 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 65 - 0 - HB3 LEU 62 - HD2 LYS 77 lone 0 38 - 1 - HB3 GLU 87 - HD3 LYS 45 lone 0 74 - 0 - HB3 GLU 87 - HD2 LYS 45 lone 0 68 - 0 - HB3 LYS 63 - HG12 ILE 27 lone 0 25 - 1 - HB3 LEU 62 - HG12 ILE 27 lone 0 21 - 0 - Peak 2225 from cnoeabs.peaks (1.68, 1.68, 28.46 ppm; diagonal): 10 out of 11 assignments used, quality = 1.00: HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD3 LYS 61 + HD3 LYS 61 OK 85 85 - 100 HD2 LYS 61 + HD2 LYS 61 OK 85 85 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HD3 LYS 45 + HD3 LYS 45 OK 55 55 - 100 HD2 LYS 77 + HD2 LYS 77 OK 51 51 - 100 HD2 LYS 45 + HD2 LYS 45 OK 47 47 - 100 HG12 ILE 27 - HG12 ILE 27 OK 27 27 - 100 Reference assignment not found: HD2 LYS 44 - HD3 LYS 44 Peak 2226 from cnoeabs.peaks (1.68, 1.68, 28.46 ppm; diagonal): 10 out of 11 assignments used, quality = 1.00: * HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD3 LYS 61 + HD3 LYS 61 OK 85 85 - 100 HD2 LYS 61 + HD2 LYS 61 OK 85 85 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HD3 LYS 45 + HD3 LYS 45 OK 57 57 - 100 HD2 LYS 77 + HD2 LYS 77 OK 53 53 - 100 HD2 LYS 45 + HD2 LYS 45 OK 49 49 - 100 HG12 ILE 27 - HG12 ILE 27 OK 26 26 - 100 Peak 2227 from cnoeabs.peaks (3.02, 1.68, 28.46 ppm; 2.83 A): 10 out of 99 assignments used, quality = 1.00: * HE2 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE3 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(31) HE3 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE3 LYS 61 + HD2 LYS 61 OK 70 75 - 94 - 2.9=90, 1.8/2831=3...(23) HE3 LYS 61 + HD3 LYS 61 OK 70 75 - 94 - 2.9=90, 1.8/2831=3...(23) HE2 LYS 61 + HD3 LYS 61 OK 69 73 - 95 - 2.9=90, 2830/1.8=3...(23) HE2 LYS 61 + HD2 LYS 61 OK 69 73 - 95 - 2.9=90, 2830/1.8=3...(23) HE2 LYS 45 + HD3 LYS 45 OK 46 50 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 45 + HD3 LYS 45 OK 46 50 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 45 - HD2 LYS 45 OK 41 45 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD2 LYS 45 OK 41 45 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 61 - HD3 LYS 44 OK 14 93 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 61 - HD2 LYS 44 OK 14 93 - 15 - 2200/3.0=1, 2209/3.0=1 HE2 LYS 61 - HD3 LYS 44 OK 14 92 - 15 - 2201/3.0=2, 2210/3.0=1 HE2 LYS 61 - HD2 LYS 44 OK 14 92 - 15 - 2201/3.0=2, 2210/3.0=1 HE3 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE3 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE2 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE2 LYS 61 - HD3 LYS 94 poor 10 86 - 12 - HE2 LYS 61 - HD2 LYS 94 poor 10 86 - 12 - HE3 LYS 61 - HD3 LYS 94 lone 9 87 - 10 - HE3 LYS 61 - HD2 LYS 94 lone 9 87 - 10 - HE3 LYS 45 - HD3 LYS 94 poor 8 70 - 12 - HE2 LYS 45 - HD3 LYS 94 poor 8 70 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 8 70 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 8 70 - 12 - HE2 LYS 45 - HD3 LYS 44 poor 8 76 - 11 - HE3 LYS 45 - HD3 LYS 44 poor 8 76 - 11 - HE3 LYS 45 - HD2 LYS 44 poor 8 76 - 10 - HE2 LYS 45 - HD2 LYS 44 poor 8 76 - 10 - HE2 LYS 35 - HD2 LYS 61 lone 7 85 - 8 - HE3 LYS 35 - HD2 LYS 61 lone 7 85 - 8 - HE3 LYS 35 - HD3 LYS 61 lone 7 85 - 8 - HE2 LYS 35 - HD3 LYS 61 lone 7 85 - 8 - HE3 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 45 lone 5 75 - 7 - HE2 LYS 44 - HD3 LYS 45 lone 5 75 - 7 - HE3 LYS 44 - HD2 LYS 45 lone 5 69 - 7 - HE2 LYS 44 - HD2 LYS 45 lone 5 69 - 7 - HE3 LYS 45 - HD3 LYS 61 lone 4 58 - 7 - HE3 LYS 45 - HD2 LYS 61 lone 4 58 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 4 58 - 7 - HE2 LYS 45 - HD2 LYS 61 lone 4 58 - 7 - HE2 LYS 61 - HD3 LYS 63 lone 4 63 - 6 - HE3 LYS 61 - HD3 LYS 45 lone 3 65 - 5 - HE2 LYS 61 - HD3 LYS 45 lone 3 64 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 65 - 5 - HE3 LYS 61 - HD2 LYS 45 lone 3 59 - 5 - HE3 LYS 35 - HD2 LYS 94 lone 3 96 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 3 96 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 3 96 - 3 - HE2 LYS 35 - HD2 LYS 94 lone 3 96 - 3 - HE2 LYS 61 - HD2 LYS 45 lone 3 58 - 5 - HB2 SER 75 - HD2 LYS 61 lone 2 64 - 4 - HB2 SER 75 - HD3 LYS 61 lone 2 64 - 4 - HE3 LYS 45 - HD3 LYS 63 lone 2 49 - 5 - HE2 LYS 45 - HD3 LYS 63 lone 2 49 - 5 - HE3 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 2 73 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 2 72 - 2 - HE2 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE2 LYS 61 - HD2 LYS 77 lone 1 61 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 63 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 83 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 83 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 1 75 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 1 75 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 1 72 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 1 72 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 1 69 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 1 69 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 43 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 43 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 55 - 1 - HB2 SER 75 - HD3 LYS 63 lone 1 55 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 50 - 1 - HB2 SER 75 - HD3 LYS 94 lone 0 76 - 0 - HB2 SER 75 - HD2 LYS 94 lone 0 76 - 0 - HB2 SER 75 - HD2 LYS 77 lone 0 53 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 43 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 43 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 36 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 35 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 30 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 27 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 27 - 0 - Peak 2228 from cnoeabs.peaks (3.02, 1.68, 28.46 ppm; 2.83 A): 8 out of 99 assignments used, quality = 1.00: * HE3 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE3 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD3 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(32) HE2 LYS 44 + HD2 LYS 44 OK 94 100 - 94 - 3.0=88, 2201/3.0=5...(31) HE2 LYS 61 + HD2 LYS 61 OK 71 75 - 95 - 2.9=90, 2831/1.8=3...(23) HE2 LYS 61 + HD3 LYS 61 OK 71 75 - 95 - 2.9=90, 2831/1.8=3...(23) HE3 LYS 61 + HD3 LYS 61 OK 69 73 - 94 - 2.9=90, 1.8/2830=3...(23) HE3 LYS 61 + HD2 LYS 61 OK 69 73 - 94 - 2.9=90, 1.8/2830=3...(23) HE3 LYS 45 - HD3 LYS 45 OK 44 48 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD3 LYS 45 OK 44 48 - 92 - 3.0=86, 3.5/2284=5...(20) HE3 LYS 45 - HD2 LYS 45 OK 40 43 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 45 - HD2 LYS 45 OK 40 43 - 92 - 3.0=86, 3.5/2284=5...(20) HE2 LYS 61 - HD3 LYS 44 OK 14 93 - 15 - 2201/3.0=2, 2210/3.0=1 HE2 LYS 61 - HD2 LYS 44 OK 14 93 - 15 - 2201/3.0=2, 2210/3.0=1 HE3 LYS 61 - HD3 LYS 44 OK 14 92 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 61 - HD2 LYS 44 OK 14 92 - 15 - 2200/3.0=1, 2209/3.0=1 HE3 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE3 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD3 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 44 - HD2 LYS 61 OK 12 85 - 14 - 3.9/2198=1 HE2 LYS 61 - HD3 LYS 94 OK 10 87 - 12 - HE2 LYS 61 - HD2 LYS 94 OK 10 87 - 12 - HE2 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD3 LYS 44 OK 10 100 - 10 - HE3 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE2 LYS 35 - HD2 LYS 44 OK 10 100 - 10 - HE3 LYS 61 - HD2 LYS 94 lone 8 86 - 10 - HE3 LYS 61 - HD3 LYS 94 lone 8 86 - 10 - HE3 LYS 45 - HD3 LYS 94 poor 8 67 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 8 67 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 8 67 - 12 - HE2 LYS 45 - HD3 LYS 94 poor 8 67 - 12 - HE3 LYS 45 - HD3 LYS 44 poor 8 73 - 10 - HE2 LYS 45 - HD3 LYS 44 poor 8 73 - 10 - HE2 LYS 45 - HD2 LYS 44 poor 8 73 - 10 - HE3 LYS 45 - HD2 LYS 44 poor 8 73 - 10 - HE2 LYS 35 - HD3 LYS 61 lone 7 85 - 9 - HE2 LYS 35 - HD2 LYS 61 lone 7 85 - 9 - HE3 LYS 35 - HD3 LYS 61 lone 7 85 - 9 - HE3 LYS 35 - HD2 LYS 61 lone 7 85 - 9 - HE3 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD3 LYS 94 lone 7 97 - 7 - HE2 LYS 44 - HD2 LYS 94 lone 7 97 - 7 - HE3 LYS 44 - HD3 LYS 45 lone 5 75 - 7 - HE2 LYS 44 - HD3 LYS 45 lone 5 75 - 7 - HE3 LYS 44 - HD2 LYS 45 lone 5 69 - 7 - HE2 LYS 44 - HD2 LYS 45 lone 5 69 - 7 - HE3 LYS 45 - HD3 LYS 61 lone 4 56 - 7 - HE3 LYS 45 - HD2 LYS 61 lone 4 56 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 4 56 - 7 - HE2 LYS 45 - HD2 LYS 61 lone 4 56 - 7 - HE2 LYS 61 - HD3 LYS 63 lone 4 65 - 6 - HE2 LYS 61 - HD3 LYS 45 lone 3 65 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 3 64 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 63 - 5 - HE2 LYS 61 - HD2 LYS 45 lone 3 59 - 5 - HE3 LYS 35 - HD2 LYS 94 lone 3 96 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 3 96 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 3 96 - 3 - HE2 LYS 35 - HD2 LYS 94 lone 3 96 - 3 - HE3 LYS 61 - HD2 LYS 45 lone 3 58 - 5 - HB2 SER 75 - HD2 LYS 61 lone 2 66 - 4 - HB2 SER 75 - HD3 LYS 61 lone 2 66 - 4 - HE2 LYS 45 - HD3 LYS 63 lone 2 47 - 5 - HE3 LYS 45 - HD3 LYS 63 lone 2 47 - 5 - HE3 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 75 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 2 73 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 2 72 - 2 - HE2 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 74 - 1 - HE2 LYS 61 - HD2 LYS 77 lone 1 63 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 85 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 85 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 61 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 1 75 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 1 75 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 1 72 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 1 72 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 1 69 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 1 69 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 57 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 43 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 43 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 46 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 46 - 1 - HB2 SER 75 - HD3 LYS 63 lone 1 57 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 52 - 1 - HB2 SER 75 - HD2 LYS 94 lone 0 79 - 0 - HB2 SER 75 - HD3 LYS 94 lone 0 79 - 0 - HB2 SER 75 - HD2 LYS 77 lone 0 55 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 43 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 43 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 36 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 35 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 31 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 26 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 26 - 0 - Peak 2229 from cnoeabs.peaks (3.99, 3.02, 41.80 ppm; 6.08 A): 2 out of 56 assignments used, quality = 1.00: * HA LYS 44 + HE2 LYS 44 OK 97 100 - 97 - 6.3=89, 2174/1.8=14...(19) HA LYS 44 + HE3 LYS 44 OK 97 100 - 97 - 6.3=89, 2174/1.8=14...(19) HA LYS 44 - HE2 LYS 61 OK 32 84 - 39 - 2174=5, 3.7/2201=5...(19) HA LYS 44 - HE3 LYS 61 OK 32 86 - 38 - 2174/1.8=5, 2173=5...(19) HA GLU 28 - HE3 LYS 44 OK 26 97 - 27 - 4413/3.9=6, 4994/4.8=5...(7) HA GLU 28 - HE2 LYS 44 OK 26 97 - 27 - 4413/3.9=6, 4994/4.8=5...(7) HA LYS 44 - HE2 LYS 35 OK 20 94 - 21 - 2174=3, 2174/1.8=3...(5) HA LYS 44 - HE3 LYS 35 OK 20 94 - 21 - 2174=3, 2174/1.8=3...(5) HA LYS 44 - HE2 LYS 45 OK 18 63 - 28 - 3.6/4181=4, 2173=3...(7) HA LYS 44 - HE3 LYS 45 OK 18 63 - 28 - 3.6/4181=4, 2173=3...(7) HA SER 75 - HE2 LYS 61 poor 7 48 - 14 - 2.9/933=3, 3.6/344=2...(4) HB3 SER 89 - HE3 LYS 61 lone 7 85 - 8 - 6736/7.3=4 HB3 SER 89 - HE2 LYS 61 lone 6 83 - 7 - 6736/7.3=4 HA SER 75 - HE3 LYS 61 poor 6 50 - 12 - ~933=3, 4460/3.9=2, 4460/3.9=2 HA GLU 28 - HE2 LYS 35 lone 5 88 - 6 - 4415/4182=2 HA GLU 28 - HE3 LYS 35 lone 5 88 - 6 - 4415/4182=2 HA GLU 28 - HE2 LYS 61 lone 5 78 - 6 - HA GLU 28 - HE3 LYS 45 lone 5 57 - 8 - 4415/7.3=4 HA GLU 28 - HE2 LYS 45 lone 5 57 - 8 - 4415/7.3=4 HA GLU 28 - HE3 LYS 61 lone 5 80 - 6 - HB2 SER 29 - HE2 LYS 35 lone 4 83 - 5 - 5030/3.9=2 HB2 SER 29 - HE3 LYS 35 lone 4 83 - 5 - 5030/3.9=2 HB3 SER 89 - HE2 LYS 44 lone 4 100 - 4 - HB3 SER 89 - HE3 LYS 44 lone 4 100 - 4 - HB2 SER 29 - HE2 LYS 44 lone 3 92 - 3 - HB2 SER 29 - HE3 LYS 44 lone 3 92 - 3 - HB3 SER 89 - HE2 LYS 35 lone 3 93 - 3 - HB3 SER 89 - HE3 LYS 35 lone 3 93 - 3 - HA SER 75 - HE3 LYS 44 lone 3 65 - 5 - HA SER 75 - HE2 LYS 44 lone 3 65 - 5 - HB2 SER 29 - HE3 LYS 61 lone 3 74 - 4 - HA ARG 57 - HE3 LYS 61 lone 3 46 - 6 - 6762/7.3=2 HB2 SER 29 - HE2 LYS 61 lone 3 72 - 4 - HA ARG 57 - HE2 LYS 61 lone 3 44 - 6 - 6762/7.3=2 HA SER 75 - HE2 LYS 35 lone 3 57 - 4 - HA SER 75 - HE3 LYS 35 lone 3 57 - 4 - HA ARG 57 - HE2 LYS 44 lone 2 60 - 3 - HA ARG 57 - HE3 LYS 44 lone 2 60 - 3 - HB3 SER 96 - HE2 LYS 44 lone 2 68 - 3 - HB3 SER 96 - HE3 LYS 44 lone 2 68 - 3 - HB3 SER 89 - HE3 LYS 45 lone 2 61 - 3 - HB3 SER 89 - HE2 LYS 45 lone 2 61 - 3 - HB3 SER 96 - HE3 LYS 35 lone 2 60 - 3 - HB3 SER 96 - HE2 LYS 35 lone 2 60 - 3 - HA ARG 57 - HE3 LYS 35 lone 2 52 - 3 - HA ARG 57 - HE2 LYS 35 lone 2 52 - 3 - HB3 SER 96 - HE3 LYS 61 lone 2 52 - 3 - HB2 SER 29 - HE2 LYS 45 lone 2 52 - 3 - HB2 SER 29 - HE3 LYS 45 lone 2 52 - 3 - HB3 SER 96 - HE2 LYS 61 lone 2 51 - 3 - HA SER 75 - HE3 LYS 45 lone 2 34 - 4 - 4460/3.5=1 HA SER 75 - HE2 LYS 45 lone 2 34 - 4 - 4460/3.5=1 HA ARG 57 - HE3 LYS 45 lone 1 31 - 4 - HA ARG 57 - HE2 LYS 45 lone 1 31 - 4 - HB3 SER 96 - HE2 LYS 45 lone 1 36 - 3 - HB3 SER 96 - HE3 LYS 45 lone 1 36 - 3 - Peak 2230 from cnoeabs.peaks (1.86, 3.02, 41.80 ppm; 4.08 A): 6 out of 88 assignments used, quality = 1.00: * HB2 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 61 + HE3 LYS 61 OK 52 61 - 84 - 5.0=54, ~2782=8...(42) HB2 LYS 61 + HE2 LYS 61 OK 51 59 - 87 - 5.0=54, 1.8/2782=10...(47) HB2 LYS 44 - HE3 LYS 61 OK 32 86 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB3 LYS 44 - HE3 LYS 61 OK 31 86 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB2 LYS 44 - HE2 LYS 61 OK 31 84 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB3 LYS 44 - HE2 LYS 61 OK 30 84 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB2 LYS 61 - HE3 LYS 44 OK 25 78 - 32 - 1.8/2782=3, 2772=3...(10) HB2 LYS 61 - HE2 LYS 44 OK 25 78 - 32 - 1.8/2782=3, ~2782=3...(10) HB2 LYS 44 - HE2 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE3 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE2 LYS 35 OK 17 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE3 LYS 35 OK 17 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 63 - HE2 LYS 61 OK 17 61 - 29 - 2903/2.9=2, 2903/2.9=2...(7) HB2 LYS 44 - HE3 LYS 45 OK 17 63 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE2 LYS 45 OK 17 63 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE3 LYS 45 OK 17 62 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE2 LYS 45 OK 17 62 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 61 - HE2 LYS 35 OK 14 69 - 20 - 1.8/2782=2, 2772=2...(7) HB2 LYS 61 - HE3 LYS 35 OK 14 69 - 20 - 1.8/2782=2, 2772=2...(7) HB2 LYS 63 - HE3 LYS 61 OK 14 63 - 22 - 2903/2.9=2, 2903/2.9=2...(5) HB ILE 37 - HE3 LYS 61 OK 12 85 - 14 - ~5286=3, 5268/2.9=2...(6) HB2 LYS 63 - HE2 LYS 45 OK 12 44 - 27 - 2905/1.8=2, ~2915=2...(8) HB2 LYS 63 - HE3 LYS 45 OK 12 44 - 27 - 2905/1.8=2, ~2915=2...(8) HB ILE 37 - HE2 LYS 61 OK 10 83 - 13 - 5268/2.9=2, 5268/2.9=2...(6) HB2 LYS 61 - HE3 LYS 45 poor 7 42 - 15 - 1.8/2783=2, 2773=1...(4) HB2 LYS 61 - HE2 LYS 45 poor 7 42 - 15 - 1.8/2783=2, 2773=1...(4) HB2 LYS 63 - HE3 LYS 44 lone 6 81 - 8 - HB2 LYS 63 - HE2 LYS 44 lone 6 81 - 7 - HB ILE 27 - HE2 LYS 44 lone 5 99 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 27 - HE3 LYS 44 lone 5 99 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 37 - HE3 LYS 44 lone 5 100 - 5 - HB ILE 37 - HE2 LYS 44 lone 5 100 - 5 - HD3 LYS 77 - HE2 LYS 44 lone 4 99 - 4 - HD3 LYS 77 - HE3 LYS 44 lone 4 99 - 4 - HB ILE 16 - HE3 LYS 44 lone 4 100 - 3 - HB ILE 16 - HE2 LYS 44 lone 4 100 - 3 - HB2 LYS 63 - HE2 LYS 35 lone 3 71 - 5 - HB2 LYS 63 - HE3 LYS 35 lone 3 71 - 5 - HB ILE 37 - HE3 LYS 35 lone 3 93 - 4 - HB ILE 37 - HE2 LYS 35 lone 3 93 - 4 - HB ILE 16 - HE3 LYS 61 lone 3 86 - 4 - HB ILE 16 - HE2 LYS 61 lone 3 84 - 4 - HB2 PRO 92 - HE2 LYS 35 lone 3 92 - 3 - HB2 PRO 92 - HE3 LYS 35 lone 3 92 - 3 - HD3 LYS 77 - HE2 LYS 61 lone 3 82 - 3 - HD3 LYS 77 - HE3 LYS 61 lone 2 84 - 3 - HB2 PRO 92 - HE2 LYS 44 lone 2 99 - 2 - HB2 PRO 92 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 77 - HE3 LYS 35 lone 2 92 - 2 - HD3 LYS 77 - HE2 LYS 35 lone 2 92 - 2 - HD3 LYS 77 - HE2 LYS 45 lone 2 60 - 3 - HD3 LYS 77 - HE3 LYS 45 lone 2 60 - 3 - HB2 PRO 92 - HE3 LYS 61 lone 2 84 - 2 - HB2 PRO 92 - HE2 LYS 61 lone 2 82 - 2 - HB ILE 27 - HE2 LYS 61 lone 1 82 - 2 - HB ILE 16 - HE2 LYS 35 lone 1 94 - 2 - HB ILE 16 - HE3 LYS 35 lone 1 94 - 2 - HB ILE 27 - HE3 LYS 61 lone 1 85 - 2 - HB2 PRO 74 - HE2 LYS 61 lone 1 57 - 3 - 3.9/933=2 HB ILE 37 - HE2 LYS 45 lone 1 61 - 2 - HB ILE 37 - HE3 LYS 45 lone 1 61 - 2 - HB ILE 27 - HE2 LYS 35 lone 1 93 - 1 - HB ILE 27 - HE3 LYS 35 lone 1 93 - 1 - HB2 GLU 87 - HE3 LYS 61 lone 1 57 - 2 - HB2 GLU 87 - HE2 LYS 61 lone 1 55 - 2 - HB2 GLU 87 - HE2 LYS 44 lone 1 73 - 1 - HB2 GLU 87 - HE3 LYS 44 lone 1 73 - 1 - HB ILE 27 - HE2 LYS 45 lone 1 61 - 1 - HB ILE 27 - HE3 LYS 45 lone 1 61 - 1 - HB2 PRO 74 - HE3 LYS 44 lone 1 76 - 1 - HB2 PRO 74 - HE2 LYS 44 lone 1 76 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 62 - 1 - HB ILE 16 - HE3 LYS 45 lone 1 62 - 1 - HB2 PRO 74 - HE3 LYS 35 lone 1 67 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 67 - 1 - HB2 PRO 74 - HE3 LYS 61 lone 1 59 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 60 - 1 - HB2 PRO 92 - HE2 LYS 45 lone 1 60 - 1 - HB2 GLU 87 - HE2 LYS 35 lone 1 64 - 1 - HB2 GLU 87 - HE3 LYS 35 lone 1 64 - 1 - HB2 GLU 87 - HE2 LYS 45 lone 0 39 - 1 - HB2 GLU 87 - HE3 LYS 45 lone 0 39 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 0 40 - 1 - HB2 PRO 74 - HE2 LYS 45 lone 0 40 - 1 - Peak 2231 from cnoeabs.peaks (1.86, 3.02, 41.80 ppm; 4.08 A): 6 out of 96 assignments used, quality = 1.00: * HB3 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 61 + HE3 LYS 61 OK 46 55 - 84 - 5.0=54, ~2782=8...(42) HB2 LYS 61 + HE2 LYS 61 OK 46 53 - 87 - 5.0=54, 1.8/2782=10...(47) HB3 LYS 44 - HE3 LYS 61 OK 32 86 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB2 LYS 44 - HE3 LYS 61 OK 31 86 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB3 LYS 44 - HE2 LYS 61 OK 31 84 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB2 LYS 44 - HE2 LYS 61 OK 30 84 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB2 LYS 61 - HE3 LYS 44 OK 22 71 - 32 - 1.8/2782=3, ~2782=3...(10) HB2 LYS 61 - HE2 LYS 44 OK 22 71 - 32 - 1.8/2782=3, ~2782=3...(10) HB2 LYS 63 - HE2 LYS 61 OK 19 67 - 29 - 2903/2.9=2, 2903/2.9=2...(7) HB3 LYS 44 - HE3 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE2 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE3 LYS 35 OK 17 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE2 LYS 35 OK 17 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE3 LYS 45 OK 17 63 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE2 LYS 45 OK 17 63 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE2 LYS 45 OK 17 62 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE3 LYS 45 OK 17 62 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 63 - HE3 LYS 61 OK 16 69 - 23 - 2903/2.9=2, 2903/2.9=2...(5) HB2 LYS 63 - HE3 LYS 45 OK 13 48 - 27 - 2905/1.8=2, ~2915=2...(8) HB2 LYS 63 - HE2 LYS 45 OK 13 48 - 27 - 2905/1.8=2, ~2915=2...(8) HB2 LYS 61 - HE2 LYS 35 OK 12 62 - 20 - 1.8/2782=2, ~2782=2...(7) HB2 LYS 61 - HE3 LYS 35 OK 12 62 - 20 - 1.8/2782=2, ~2782=2...(7) HB ILE 37 - HE3 LYS 61 OK 12 83 - 14 - ~5286=3, 5268/2.9=2...(6) HB ILE 37 - HE2 LYS 61 OK 10 81 - 13 - 5268/2.9=2, 5268/2.9=2...(6) HB2 LYS 63 - HE3 LYS 44 lone 7 87 - 8 - HB2 LYS 63 - HE2 LYS 44 lone 7 87 - 8 - HB2 LYS 61 - HE3 LYS 45 poor 6 37 - 15 - 1.8/2783=2, ~2783=1...(4) HB2 LYS 61 - HE2 LYS 45 poor 6 37 - 15 - 1.8/2783=2, ~2783=1...(4) HB ILE 27 - HE2 LYS 44 lone 6 100 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 27 - HE3 LYS 44 lone 6 100 - 5 - 4963/3.9=2, 4943/6.3=1 HB2 LEU 62 - HE3 LYS 61 poor 6 46 - 12 - ~5957=2, ~5955=1...(6) HB2 LEU 62 - HE2 LYS 61 poor 5 44 - 13 - 3.0/7204=2, ~5957=2...(5) HB ILE 37 - HE3 LYS 44 lone 5 99 - 5 - HB ILE 37 - HE2 LYS 44 lone 5 99 - 5 - HD3 LYS 77 - HE2 LYS 44 lone 4 100 - 4 - HD3 LYS 77 - HE3 LYS 44 lone 4 100 - 4 - HB2 LYS 63 - HE3 LYS 35 lone 4 78 - 5 - HB2 LYS 63 - HE2 LYS 35 lone 4 78 - 5 - HB ILE 16 - HE3 LYS 44 lone 3 100 - 3 - HB ILE 16 - HE2 LYS 44 lone 3 100 - 3 - HB ILE 37 - HE3 LYS 35 lone 3 91 - 3 - HB ILE 37 - HE2 LYS 35 lone 3 91 - 3 - HB ILE 16 - HE3 LYS 61 lone 3 85 - 4 - HB ILE 16 - HE2 LYS 61 lone 3 83 - 3 - HB2 PRO 92 - HE2 LYS 35 lone 3 94 - 3 - HB2 PRO 92 - HE3 LYS 35 lone 3 94 - 3 - HD3 LYS 77 - HE2 LYS 61 lone 3 83 - 3 - HD3 LYS 77 - HE3 LYS 61 lone 2 86 - 3 - HB2 PRO 92 - HE2 LYS 44 lone 2 100 - 2 - HB2 PRO 92 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 77 - HE2 LYS 45 lone 2 62 - 3 - HD3 LYS 77 - HE3 LYS 45 lone 2 62 - 3 - HD3 LYS 77 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 77 - HE2 LYS 35 lone 2 94 - 2 - HB2 PRO 92 - HE3 LYS 61 lone 2 86 - 2 - HB2 PRO 92 - HE2 LYS 61 lone 2 83 - 2 - HB2 LEU 62 - HE3 LYS 44 lone 2 60 - 3 - HB2 LEU 62 - HE2 LYS 44 lone 2 60 - 3 - HB2 LEU 62 - HE2 LYS 35 lone 2 52 - 3 - HB2 LEU 62 - HE3 LYS 35 lone 2 52 - 3 - HB ILE 27 - HE2 LYS 61 lone 2 84 - 2 - HB ILE 27 - HE3 LYS 61 lone 1 86 - 2 - HB ILE 16 - HE2 LYS 35 lone 1 93 - 2 - HB ILE 16 - HE3 LYS 35 lone 1 93 - 2 - HB2 GLU 87 - HE3 LYS 61 lone 1 63 - 2 - HB2 GLU 87 - HE2 LYS 61 lone 1 61 - 2 - HB ILE 27 - HE3 LYS 35 lone 1 94 - 1 - HB ILE 27 - HE2 LYS 35 lone 1 94 - 1 - HB2 PRO 74 - HE2 LYS 61 lone 1 51 - 3 - 3.9/933=2 HB ILE 37 - HE2 LYS 45 lone 1 60 - 2 - HB ILE 37 - HE3 LYS 45 lone 1 60 - 2 - HB2 GLU 87 - HE2 LYS 44 lone 1 81 - 1 - HB2 GLU 87 - HE3 LYS 44 lone 1 81 - 1 - HB2 LEU 62 - HE2 LYS 45 lone 1 31 - 3 - HB2 LEU 62 - HE3 LYS 45 lone 1 31 - 3 - HB ILE 27 - HE2 LYS 45 lone 1 62 - 1 - HB ILE 27 - HE3 LYS 45 lone 1 62 - 1 - HB2 PRO 74 - HE3 LYS 44 lone 1 68 - 1 - HB2 PRO 74 - HE2 LYS 44 lone 1 68 - 1 - HB ILE 16 - HE3 LYS 45 lone 1 61 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 61 - 1 - HB2 GLU 87 - HE2 LYS 35 lone 1 71 - 1 - HB2 GLU 87 - HE3 LYS 35 lone 1 71 - 1 - HB2 PRO 92 - HE2 LYS 45 lone 1 62 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 62 - 1 - HB2 PRO 74 - HE3 LYS 35 lone 1 60 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 60 - 1 - HB2 PRO 74 - HE3 LYS 61 lone 1 52 - 1 - HB2 GLU 87 - HE2 LYS 45 lone 0 44 - 1 - HB2 GLU 87 - HE3 LYS 45 lone 0 44 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 0 36 - 1 - HB2 PRO 74 - HE2 LYS 45 lone 0 36 - 1 - Peak 2232 from cnoeabs.peaks (1.47, 3.02, 41.80 ppm; 3.33 A): 2 out of 64 assignments used, quality = 0.99: HG2 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.9=61, 2198/3.0=10...(44) * HG2 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.9=61, 2198/3.0=10...(45) HG2 LYS 44 - HE2 LYS 61 OK 25 84 - 30 - 2201=3, 2200/1.8=3...(10) HG2 LYS 44 - HE3 LYS 61 OK 24 86 - 28 - 2200=3, 2201/1.8=3...(10) HG2 LYS 44 - HE3 LYS 35 OK 14 94 - 15 - 2201=2, 2201/1.8=2, 1.8/2210=1 HG2 LYS 44 - HE2 LYS 35 OK 14 94 - 15 - 2201=2, 2201/1.8=2, 1.8/2210=1 HG2 LYS 44 - HE3 LYS 45 OK 13 63 - 22 - 2200=2, 2200/1.8=2...(8) HG2 LYS 44 - HE2 LYS 45 OK 13 63 - 22 - 2200=2, 2200/1.8=2...(8) QB ALA 31 - HE2 LYS 35 OK 11 90 - 12 - 4.8/5134=3, ~5115=3...(6) QB ALA 31 - HE3 LYS 35 OK 11 90 - 12 - 4.8/5134=3, ~5115=3...(6) HB2 LYS 41 - HE3 LYS 61 lone 8 86 - 9 - 2064/1.8=3, ~2054=1, ~2119=1 QB ALA 31 - HE3 LYS 45 poor 7 59 - 11 - 5095/5.0=2, 5095/5.0=2...(6) QB ALA 31 - HE2 LYS 45 poor 7 59 - 11 - 5095/5.0=2, 5095/5.0=2...(6) HB2 LYS 41 - HE2 LYS 61 lone 5 84 - 6 - 2064=1 QB ALA 31 - HE2 LYS 44 lone 5 98 - 5 - QB ALA 31 - HE3 LYS 44 lone 5 98 - 5 - HB2 LYS 41 - HE2 LYS 45 lone 4 62 - 7 - 2061/3.5=3, 2078/3.5=2 HB2 LYS 41 - HE3 LYS 45 lone 4 62 - 7 - 2061/3.5=3, 2078/3.5=2 HB ILE 51 - HE2 LYS 44 lone 3 92 - 3 - HB ILE 51 - HE3 LYS 44 lone 3 92 - 3 - QB ALA 31 - HE2 LYS 61 lone 3 80 - 3 - QB ALA 31 - HE3 LYS 61 lone 2 82 - 3 - HG2 LYS 86 - HE3 LYS 44 lone 2 76 - 3 - HG2 LYS 86 - HE2 LYS 44 lone 2 76 - 3 - HB2 LYS 41 - HE3 LYS 44 lone 2 100 - 2 - HB2 LYS 41 - HE2 LYS 44 lone 2 100 - 2 - HG2 LYS 86 - HE2 LYS 61 lone 1 57 - 2 - HB2 LYS 41 - HE2 LYS 35 lone 1 94 - 1 - HB2 LYS 41 - HE3 LYS 35 lone 1 94 - 1 - HG2 LYS 86 - HE3 LYS 61 lone 1 59 - 2 - HB ILE 51 - HE2 LYS 35 lone 1 83 - 2 - HB ILE 51 - HE3 LYS 35 lone 1 83 - 2 - HG2 LYS 86 - HE3 LYS 35 lone 1 67 - 2 - HG2 LYS 86 - HE2 LYS 35 lone 1 67 - 2 - QG2 THR 67 - HE3 LYS 35 lone 1 74 - 2 - QG2 THR 67 - HE2 LYS 35 lone 1 74 - 2 - HB ILE 51 - HE2 LYS 61 lone 1 72 - 1 - HG LEU 53 - HE3 LYS 35 lone 1 57 - 2 - 5798/5.9=1 HG LEU 53 - HE2 LYS 35 lone 1 57 - 2 - 5798/5.9=1 HB ILE 51 - HE3 LYS 61 lone 1 74 - 1 - HG12 ILE 80 - HE3 LYS 35 lone 1 74 - 1 - HG12 ILE 80 - HE2 LYS 35 lone 1 74 - 1 - QG2 THR 67 - HE2 LYS 61 lone 1 63 - 1 - QG2 THR 67 - HE3 LYS 61 lone 1 65 - 1 - HG2 LYS 86 - HE3 LYS 45 lone 1 40 - 2 - HG2 LYS 86 - HE2 LYS 45 lone 1 40 - 2 - HG12 ILE 80 - HE3 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HE2 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HE2 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HE3 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 1 45 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 1 45 - 1 - HB ILE 51 - HE2 LYS 45 lone 1 52 - 1 - HB ILE 51 - HE3 LYS 45 lone 1 52 - 1 - HG12 ILE 80 - HE2 LYS 61 lone 0 63 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 65 - 1 - HG LEU 53 - HE3 LYS 44 lone 0 65 - 1 - HG LEU 53 - HE2 LYS 44 lone 0 65 - 1 - HG LEU 53 - HE3 LYS 61 lone 0 50 - 1 - HG LEU 53 - HE2 LYS 61 lone 0 48 - 1 - QG2 THR 67 - HE3 LYS 45 lone 0 45 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 45 - 1 - HG LEU 53 - HE2 LYS 45 lone 0 34 - 1 - HG LEU 53 - HE3 LYS 45 lone 0 34 - 1 - Peak 2233 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.56 A): 2 out of 72 assignments used, quality = 1.00: HG3 LYS 44 + HE3 LYS 44 OK 93 100 - 93 - 3.9=74, 1.8/2201=10...(43) * HG3 LYS 44 + HE2 LYS 44 OK 93 100 - 93 - 3.9=74, 1.8/2201=10...(43) HG3 LYS 44 - HE3 LYS 61 OK 27 86 - 32 - 1.8/2200=3, 2209=3...(13) HG3 LYS 44 - HE2 LYS 61 OK 26 84 - 31 - 1.8/2201=3, 2210=3...(12) HG3 LYS 44 - HE3 LYS 35 OK 16 94 - 17 - 2210=2, 1.8/2201=2...(5) HG3 LYS 44 - HE2 LYS 35 OK 16 94 - 17 - 2210=2, 1.8/2201=2...(5) HB3 LYS 94 - HE2 LYS 61 OK 15 69 - 23 - 3871/2.9=2, 3871/2.9=2...(4) HG3 LYS 44 - HE2 LYS 45 OK 14 63 - 23 - 192/7.3=4, 1.8/2200=2...(6) HG3 LYS 44 - HE3 LYS 45 OK 14 63 - 23 - 192/7.3=4, 1.8/2200=2...(6) HB3 LYS 94 - HE3 LYS 61 OK 14 71 - 20 - 3870/2.9=2, 3871/2.9=2, ~2121=1 HB3 LYS 94 - HE2 LYS 45 OK 12 50 - 24 - 3868/3.5=2, ~3862=2...(8) HB3 LYS 94 - HE3 LYS 45 OK 12 50 - 24 - 3868/3.5=2, ~3862=2...(8) HB3 LYS 63 - HE2 LYS 61 OK 11 53 - 20 - 2913/2.9=1, 2913/2.9=1...(5) HB3 LYS 94 - HE3 LYS 44 poor 10 89 - 11 - HB3 LYS 94 - HE2 LYS 44 poor 10 89 - 11 - HB3 LYS 63 - HE3 LYS 61 poor 8 55 - 14 - 2913/2.9=1, 2913/2.9=1, ~2903=1 HB3 LYS 63 - HE2 LYS 45 poor 7 37 - 19 - ~2905=2, ~2904=2, 2915/1.8=1 HB3 LYS 63 - HE3 LYS 45 poor 7 37 - 19 - ~2905=2, ~2904=2, 2915/1.8=1 HG2 LYS 77 - HE3 LYS 44 lone 5 93 - 5 - HG2 LYS 77 - HE2 LYS 44 lone 5 93 - 5 - HG3 LYS 77 - HE3 LYS 44 lone 5 92 - 5 - HG3 LYS 77 - HE2 LYS 44 lone 5 92 - 5 - HB3 LYS 94 - HE2 LYS 35 lone 4 79 - 5 - HB3 LYS 94 - HE3 LYS 35 lone 4 79 - 5 - HB3 LEU 62 - HE2 LYS 61 lone 4 46 - 9 - 3.0/7204=1, ~5957=1 HB3 LEU 62 - HE3 LYS 61 lone 4 48 - 8 - ~5957=1 HB3 LYS 63 - HE2 LYS 44 lone 4 71 - 5 - HB3 LYS 63 - HE3 LYS 44 lone 4 71 - 5 - HD2 LYS 86 - HE3 LYS 44 lone 4 96 - 4 - HD2 LYS 86 - HE2 LYS 44 lone 4 96 - 3 - HB3 PRO 49 - HE3 LYS 44 lone 3 98 - 3 - HB3 PRO 49 - HE2 LYS 44 lone 3 98 - 3 - HD2 LYS 86 - HE3 LYS 61 lone 3 79 - 3 - HD2 LYS 86 - HE2 LYS 61 lone 3 76 - 3 - HG2 LYS 77 - HE2 LYS 61 lone 3 74 - 3 - HG3 LYS 77 - HE2 LYS 61 lone 3 72 - 3 - HG2 LYS 77 - HE3 LYS 61 lone 2 76 - 3 - HG3 LYS 77 - HE3 LYS 61 lone 2 74 - 3 - HG2 LYS 77 - HE2 LYS 45 lone 2 54 - 4 - HG2 LYS 77 - HE3 LYS 45 lone 2 54 - 4 - HG3 LYS 77 - HE3 LYS 45 lone 2 52 - 4 - HG3 LYS 77 - HE2 LYS 45 lone 2 52 - 4 - HD2 LYS 86 - HE3 LYS 35 lone 2 87 - 2 - HD2 LYS 86 - HE2 LYS 35 lone 2 87 - 2 - HB3 LYS 63 - HE2 LYS 35 lone 2 62 - 3 - HB3 LYS 63 - HE3 LYS 35 lone 2 62 - 3 - HB3 GLU 87 - HE3 LYS 61 lone 2 85 - 2 - HB3 GLU 87 - HE2 LYS 61 lone 2 83 - 2 - HG2 LYS 77 - HE3 LYS 35 lone 2 84 - 2 - HG2 LYS 77 - HE2 LYS 35 lone 2 84 - 2 - HG3 LYS 77 - HE3 LYS 35 lone 2 83 - 2 - HG3 LYS 77 - HE2 LYS 35 lone 2 83 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 56 - 2 - HD2 LYS 86 - HE2 LYS 45 lone 1 56 - 2 - HB3 LEU 62 - HE2 LYS 35 lone 1 55 - 2 - HB3 LEU 62 - HE3 LYS 35 lone 1 55 - 2 - HB3 LEU 62 - HE3 LYS 44 lone 1 63 - 2 - HB3 LEU 62 - HE2 LYS 44 lone 1 63 - 2 - HB3 PRO 49 - HE3 LYS 61 lone 1 82 - 1 - HB3 PRO 49 - HE2 LYS 61 lone 1 80 - 1 - HB3 GLU 87 - HE2 LYS 44 lone 1 100 - 1 - HB3 GLU 87 - HE3 LYS 44 lone 1 100 - 1 - HB3 PRO 49 - HE3 LYS 45 lone 1 59 - 1 - HB3 PRO 49 - HE2 LYS 45 lone 1 59 - 1 - HB3 PRO 49 - HE2 LYS 35 lone 1 90 - 1 - HB3 PRO 49 - HE3 LYS 35 lone 1 90 - 1 - HB3 GLU 87 - HE3 LYS 35 lone 1 93 - 1 - HB3 GLU 87 - HE2 LYS 35 lone 1 93 - 1 - HB3 LEU 62 - HE2 LYS 45 lone 1 32 - 2 - HB3 LEU 62 - HE3 LYS 45 lone 1 32 - 2 - HB3 GLU 87 - HE3 LYS 45 lone 1 61 - 1 - HB3 GLU 87 - HE2 LYS 45 lone 1 61 - 1 - Peak 2234 from cnoeabs.peaks (1.68, 3.02, 41.80 ppm; 2.44 A): 10 out of 144 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) * HD2 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 35 + HE2 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 60 84 - 71 - 2.9=58, 1.8/2822=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 60 84 - 71 - 2.9=58, 1.8/2822=3...(8) HD2 LYS 61 + HE3 LYS 61 OK 59 86 - 68 - 2.9=58, 2822/1.8=3...(9) HD3 LYS 61 + HE3 LYS 61 OK 59 86 - 68 - 2.9=58, 2822/1.8=3...(9) HD3 LYS 45 - HE3 LYS 45 OK 30 45 - 67 - 3.0=55, 2284/3.5=3...(13) HD3 LYS 45 - HE2 LYS 45 OK 30 45 - 67 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE2 LYS 45 OK 29 42 - 68 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE3 LYS 45 OK 29 42 - 68 - 3.0=55, 2284/3.5=3...(13) HB3 LYS 61 - HE2 LYS 61 OK 21 57 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 20 59 - 34 - 5.0=11, ~2772=2...(11) HD3 LYS 35 - HE3 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 35 - HE2 LYS 44 lone 10 100 - 10 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 44 - HE2 LYS 61 poor 9 84 - 11 - 3.0/2201=1 HD2 LYS 44 - HE3 LYS 61 poor 9 86 - 10 - 3.0/2200=1 HD3 LYS 44 - HE3 LYS 61 poor 9 86 - 10 - 3.0/2200=1 HD3 LYS 44 - HE2 LYS 61 poor 9 84 - 11 - 3.0/2201=1 HB3 LYS 61 - HE3 LYS 44 poor 8 76 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 8 76 - 11 - HD3 LYS 35 - HE3 LYS 61 lone 6 86 - 7 - 3.0/1833=1 HD3 LYS 94 - HE2 LYS 61 lone 6 83 - 8 - HD2 LYS 94 - HE2 LYS 61 lone 6 83 - 8 - HD2 LYS 44 - HE2 LYS 35 lone 6 94 - 6 - HD2 LYS 44 - HE3 LYS 35 lone 6 94 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 94 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 94 - 6 - HD3 LYS 35 - HE2 LYS 61 lone 6 83 - 7 - 3.0/1833=1, 3.0/1822=1 HD2 LYS 94 - HE3 LYS 61 lone 5 86 - 6 - HD3 LYS 94 - HE3 LYS 61 lone 5 86 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 5 94 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 5 94 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 5 94 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 5 94 - 6 - HD2 LYS 94 - HE3 LYS 45 lone 5 62 - 7 - HD3 LYS 94 - HE3 LYS 45 lone 5 62 - 7 - HD3 LYS 94 - HE2 LYS 45 lone 5 62 - 7 - HD2 LYS 94 - HE2 LYS 45 lone 5 62 - 7 - HD2 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD2 LYS 44 - HE2 LYS 45 lone 4 63 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 4 63 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 4 63 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 4 63 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 67 - 6 - HB3 LYS 61 - HE3 LYS 35 lone 4 67 - 6 - HD3 LYS 45 - HE3 LYS 44 lone 4 83 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 83 - 5 - HD2 LYS 45 - HE3 LYS 44 lone 4 78 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 4 78 - 5 - HD3 LYS 63 - HE2 LYS 61 lone 3 84 - 4 - HB ILE 40 - HE3 LYS 35 lone 3 94 - 3 - 1801/4.9=1 HB ILE 40 - HE2 LYS 35 lone 3 94 - 3 - 1801/4.9=1 HD2 LYS 61 - HE2 LYS 45 lone 3 63 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 3 63 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 3 63 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 3 63 - 5 - HD3 LYS 63 - HE3 LYS 61 lone 3 86 - 4 - HD3 LYS 45 - HE2 LYS 61 lone 2 63 - 3 - HD3 LYS 45 - HE3 LYS 61 lone 2 65 - 3 - HD3 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD2 LYS 45 - HE2 LYS 61 lone 2 59 - 3 - HD2 LYS 45 - HE3 LYS 61 lone 2 61 - 3 - HB3 LYS 61 - HE3 LYS 45 lone 2 40 - 4 - HB3 LYS 61 - HE2 LYS 45 lone 2 40 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 45 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 81 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 81 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 94 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 95 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 88 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 88 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 94 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 94 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 97 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 97 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 76 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 76 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 78 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 75 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 61 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 63 - 1 - QB ALA 79 - HE2 LYS 35 lone 0 86 - 1 - QB ALA 79 - HE3 LYS 35 lone 0 86 - 1 - QB ALA 79 - HE3 LYS 61 lone 0 77 - 1 - HB ILE 40 - HE2 LYS 61 lone 0 84 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 80 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 74 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 74 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 71 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 71 - 1 - HG3 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HD2 LYS 45 - HE2 LYS 35 lone 0 69 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 69 - 1 - HB ILE 40 - HE3 LYS 61 lone 0 86 - 0 - HD3 LYS 35 - HE3 LYS 45 lone 0 62 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 62 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 44 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 44 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 86 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 86 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 94 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 94 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 94 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 94 - 0 - QB ALA 79 - HE2 LYS 45 lone 0 55 - 1 - QB ALA 79 - HE3 LYS 45 lone 0 55 - 1 - HG3 ARG 57 - HE2 LYS 61 lone 0 84 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 84 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 63 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 63 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 67 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 67 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 59 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 63 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 63 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 63 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 63 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 57 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 57 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 57 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 40 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 40 - 0 - Peak 2235 from cnoeabs.peaks (1.68, 3.02, 41.80 ppm; 2.44 A): 10 out of 144 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) * HD3 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 35 + HE2 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 60 84 - 71 - 2.9=58, 1.8/2812=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 60 84 - 71 - 2.9=58, 1.8/2812=3...(8) HD2 LYS 61 + HE3 LYS 61 OK 59 86 - 68 - 2.9=58, 2812/1.8=3...(9) HD3 LYS 61 + HE3 LYS 61 OK 59 86 - 68 - 2.9=58, 2812/1.8=3...(9) HD3 LYS 45 - HE3 LYS 45 OK 31 47 - 67 - 3.0=55, 2284/3.5=3...(13) HD3 LYS 45 - HE2 LYS 45 OK 31 47 - 67 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE3 LYS 45 OK 30 44 - 68 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE2 LYS 45 OK 30 44 - 68 - 3.0=55, 2284/3.5=3...(13) HB3 LYS 61 - HE2 LYS 61 OK 20 55 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 19 57 - 33 - 5.0=11, ~2772=2...(11) HD3 LYS 35 - HE3 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 35 - HE2 LYS 44 lone 10 100 - 10 - 3.0/1833=1, 3.0/1822=1 HD3 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 44 - HE2 LYS 61 poor 9 84 - 11 - 3.0/2201=1 HD3 LYS 44 - HE3 LYS 61 poor 9 86 - 10 - 3.0/2200=1 HD2 LYS 44 - HE3 LYS 61 poor 9 86 - 10 - 3.0/2200=1 HD3 LYS 44 - HE2 LYS 61 poor 9 84 - 11 - 3.0/2201=1 HB3 LYS 61 - HE3 LYS 44 poor 8 73 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 8 73 - 11 - HD3 LYS 35 - HE3 LYS 61 lone 6 86 - 7 - 3.0/1833=1 HD3 LYS 94 - HE2 LYS 61 lone 6 83 - 8 - HD2 LYS 94 - HE2 LYS 61 lone 6 83 - 8 - HD2 LYS 44 - HE3 LYS 35 lone 6 94 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 6 94 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 94 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 94 - 6 - HD3 LYS 35 - HE2 LYS 61 lone 6 84 - 7 - 3.0/1833=1, 3.0/1823=1 HD3 LYS 94 - HE3 LYS 61 lone 5 85 - 6 - HD2 LYS 94 - HE3 LYS 61 lone 5 85 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 5 94 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 5 94 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 5 94 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 5 94 - 6 - HD2 LYS 94 - HE2 LYS 45 lone 5 61 - 8 - HD3 LYS 94 - HE2 LYS 45 lone 5 61 - 8 - HD3 LYS 94 - HE3 LYS 45 lone 5 61 - 8 - HD2 LYS 94 - HE3 LYS 45 lone 5 61 - 8 - HD3 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD3 LYS 44 - HE3 LYS 45 lone 4 63 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 4 63 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 4 63 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 4 63 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 64 - 6 - HB3 LYS 61 - HE3 LYS 35 lone 4 64 - 6 - HD3 LYS 45 - HE3 LYS 44 lone 4 85 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 85 - 5 - HD2 LYS 45 - HE3 LYS 44 lone 4 81 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 4 81 - 5 - HD3 LYS 63 - HE2 LYS 61 lone 3 84 - 4 - HB ILE 40 - HE2 LYS 35 lone 3 94 - 3 - 1801/4.9=1 HB ILE 40 - HE3 LYS 35 lone 3 94 - 3 - 1801/4.9=1 HD2 LYS 61 - HE3 LYS 45 lone 3 63 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 3 63 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 3 63 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 3 63 - 5 - HD3 LYS 63 - HE3 LYS 61 lone 3 86 - 4 - HD3 LYS 45 - HE2 LYS 61 lone 2 65 - 3 - HD3 LYS 45 - HE3 LYS 61 lone 2 67 - 3 - HD2 LYS 45 - HE2 LYS 61 lone 2 61 - 3 - HD2 LYS 45 - HE3 LYS 61 lone 2 63 - 3 - HD3 LYS 94 - HE2 LYS 35 lone 2 93 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 93 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 93 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 93 - 2 - HB3 LYS 61 - HE3 LYS 45 lone 2 39 - 4 - HB3 LYS 61 - HE2 LYS 45 lone 2 39 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 45 lone 2 63 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 83 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 83 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 89 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 89 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 93 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 93 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 94 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 94 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 97 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 97 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 79 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 73 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 73 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 74 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 63 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 65 - 1 - QB ALA 79 - HE3 LYS 35 lone 0 84 - 1 - QB ALA 79 - HE2 LYS 35 lone 0 84 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 81 - 1 - HB ILE 40 - HE2 LYS 61 lone 0 84 - 1 - QB ALA 79 - HE3 LYS 61 lone 0 76 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 76 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 76 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 74 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 74 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 71 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 71 - 1 - HG2 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 86 - 0 - HD3 LYS 35 - HE3 LYS 45 lone 0 62 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 62 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 45 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 45 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 86 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 86 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 94 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 94 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 94 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 94 - 0 - QB ALA 79 - HE2 LYS 45 lone 0 54 - 1 - QB ALA 79 - HE3 LYS 45 lone 0 54 - 1 - HG2 ARG 57 - HE2 LYS 61 lone 0 84 - 0 - HG3 ARG 57 - HE2 LYS 61 lone 0 84 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 63 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 63 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 64 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 64 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 63 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 63 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 62 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 62 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 58 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 58 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 57 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 55 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 39 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 39 - 0 - Peak 2236 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: * HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 94 94 - 100 HE3 LYS 35 + HE3 LYS 35 OK 94 94 - 100 HE3 LYS 61 + HE3 LYS 61 OK 76 76 - 100 HE2 LYS 61 + HE2 LYS 61 OK 72 72 - 100 HE2 LYS 45 - HE2 LYS 45 OK 40 40 - 100 HE3 LYS 45 - HE3 LYS 45 OK 40 40 - 100 Peak 2237 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 94 94 - 100 HE3 LYS 35 + HE3 LYS 35 OK 94 94 - 100 HE3 LYS 61 + HE3 LYS 61 OK 74 74 - 100 HE2 LYS 61 + HE2 LYS 61 OK 74 74 - 100 HE2 LYS 45 - HE2 LYS 45 OK 39 39 - 100 HE3 LYS 45 - HE3 LYS 45 OK 39 39 - 100 Reference assignment not found: HE3 LYS 44 - HE2 LYS 44 Peak 2238 from cnoeabs.peaks (3.99, 3.02, 41.80 ppm; 6.08 A): 2 out of 56 assignments used, quality = 1.00: * HA LYS 44 + HE3 LYS 44 OK 97 100 - 97 - 6.3=89, 2174/1.8=14...(19) HA LYS 44 + HE2 LYS 44 OK 97 100 - 97 - 6.3=89, 2174/1.8=14...(19) HA LYS 44 - HE2 LYS 61 OK 33 86 - 39 - 2174=5, 3.7/2201=5...(19) HA LYS 44 - HE3 LYS 61 OK 31 84 - 38 - 2174/1.8=5, 2173=5...(19) HA GLU 28 - HE3 LYS 44 OK 26 97 - 27 - 4413/3.9=6, 4994/4.8=5...(7) HA GLU 28 - HE2 LYS 44 OK 26 97 - 27 - 4413/3.9=6, 4994/4.8=5...(7) HA LYS 44 - HE2 LYS 35 OK 20 95 - 21 - 2174=3, 2174/1.8=3...(5) HA LYS 44 - HE3 LYS 35 OK 20 95 - 21 - 2174=3, 2174/1.8=3...(5) HA LYS 44 - HE2 LYS 45 OK 17 59 - 28 - 3.6/4181=4, 2173=3...(7) HA LYS 44 - HE3 LYS 45 OK 17 59 - 28 - 3.6/4181=4, 2173=3...(7) HA SER 75 - HE2 LYS 61 poor 7 50 - 14 - 2.9/933=3, 3.6/344=2...(4) HB3 SER 89 - HE3 LYS 61 lone 6 83 - 8 - 6736/7.3=4 HB3 SER 89 - HE2 LYS 61 lone 6 85 - 7 - 6736/7.3=4 HA SER 75 - HE3 LYS 61 poor 6 48 - 12 - ~933=3, 4460/3.9=2, 4460/3.9=2 HA GLU 28 - HE2 LYS 35 lone 5 89 - 6 - 4415/4182=2 HA GLU 28 - HE3 LYS 35 lone 5 89 - 6 - 4415/4182=2 HA GLU 28 - HE2 LYS 61 lone 5 80 - 6 - HA GLU 28 - HE3 LYS 61 lone 5 78 - 6 - HA GLU 28 - HE3 LYS 45 lone 5 54 - 8 - 4415/7.3=4 HA GLU 28 - HE2 LYS 45 lone 5 54 - 8 - 4415/7.3=4 HB2 SER 29 - HE2 LYS 35 lone 4 83 - 5 - 5030/3.9=2 HB2 SER 29 - HE3 LYS 35 lone 4 83 - 5 - 5030/3.9=2 HB3 SER 89 - HE2 LYS 44 lone 4 100 - 4 - HB3 SER 89 - HE3 LYS 44 lone 4 100 - 4 - HB2 SER 29 - HE3 LYS 44 lone 3 92 - 3 - HB2 SER 29 - HE2 LYS 44 lone 3 92 - 3 - HA SER 75 - HE3 LYS 44 lone 3 65 - 5 - HB3 SER 89 - HE2 LYS 35 lone 3 94 - 3 - HB3 SER 89 - HE3 LYS 35 lone 3 94 - 3 - HA SER 75 - HE2 LYS 44 lone 3 65 - 5 - HB2 SER 29 - HE2 LYS 61 lone 3 74 - 4 - HA ARG 57 - HE2 LYS 61 lone 3 46 - 6 - 6762/7.3=2 HB2 SER 29 - HE3 LYS 61 lone 3 72 - 4 - HA SER 75 - HE3 LYS 35 lone 3 57 - 4 - HA SER 75 - HE2 LYS 35 lone 3 57 - 4 - HA ARG 57 - HE3 LYS 61 lone 3 44 - 6 - 6762/7.3=2 HA ARG 57 - HE2 LYS 44 lone 2 60 - 3 - HA ARG 57 - HE3 LYS 44 lone 2 60 - 3 - HB3 SER 96 - HE3 LYS 44 lone 2 68 - 3 - HB3 SER 96 - HE2 LYS 44 lone 2 68 - 3 - HB3 SER 89 - HE3 LYS 45 lone 2 58 - 3 - HB3 SER 89 - HE2 LYS 45 lone 2 58 - 3 - HB3 SER 96 - HE3 LYS 35 lone 2 60 - 3 - HB3 SER 96 - HE2 LYS 35 lone 2 60 - 3 - HA ARG 57 - HE3 LYS 35 lone 2 52 - 3 - HA ARG 57 - HE2 LYS 35 lone 2 52 - 3 - HB3 SER 96 - HE2 LYS 61 lone 2 52 - 3 - HB3 SER 96 - HE3 LYS 61 lone 2 51 - 3 - HB2 SER 29 - HE3 LYS 45 lone 1 49 - 3 - HB2 SER 29 - HE2 LYS 45 lone 1 49 - 3 - HA SER 75 - HE2 LYS 45 lone 1 32 - 4 - 4460/3.5=1 HA SER 75 - HE3 LYS 45 lone 1 32 - 4 - 4460/3.5=1 HA ARG 57 - HE3 LYS 45 lone 1 29 - 4 - HA ARG 57 - HE2 LYS 45 lone 1 29 - 4 - HB3 SER 96 - HE2 LYS 45 lone 1 33 - 3 - HB3 SER 96 - HE3 LYS 45 lone 1 33 - 3 - Peak 2239 from cnoeabs.peaks (1.86, 3.02, 41.80 ppm; 4.08 A): 6 out of 88 assignments used, quality = 1.00: * HB2 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 61 + HE2 LYS 61 OK 53 61 - 87 - 5.0=54, 1.8/2782=10...(47) HB2 LYS 61 + HE3 LYS 61 OK 50 59 - 84 - 5.0=54, ~2782=8...(42) HB2 LYS 44 - HE2 LYS 61 OK 31 86 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB3 LYS 44 - HE2 LYS 61 OK 31 86 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB2 LYS 44 - HE3 LYS 61 OK 31 84 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB3 LYS 44 - HE3 LYS 61 OK 31 84 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB2 LYS 61 - HE3 LYS 44 OK 25 78 - 33 - 1.8/2782=4, 2772=3...(10) HB2 LYS 61 - HE2 LYS 44 OK 25 78 - 33 - 1.8/2782=3, ~2782=3...(10) HB2 LYS 63 - HE2 LYS 61 OK 18 63 - 29 - 2903/2.9=2, 2903/2.9=2...(7) HB2 LYS 44 - HE3 LYS 35 OK 18 95 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE2 LYS 35 OK 18 95 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE2 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE3 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE3 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE2 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE2 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE3 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 61 - HE2 LYS 35 OK 14 70 - 20 - 1.8/2782=2, 2772=2...(7) HB2 LYS 61 - HE3 LYS 35 OK 14 70 - 20 - 1.8/2782=2, 2772=2...(7) HB2 LYS 63 - HE3 LYS 61 OK 14 61 - 22 - 2903/2.9=2, 2903/2.9=2...(5) HB ILE 37 - HE3 LYS 61 OK 12 83 - 14 - ~5286=3, 5268/2.9=2...(6) HB2 LYS 63 - HE3 LYS 45 OK 11 41 - 27 - 2905/1.8=2, ~2915=2...(8) HB2 LYS 63 - HE2 LYS 45 OK 11 41 - 27 - 2905/1.8=2, ~2915=2...(8) HB ILE 37 - HE2 LYS 61 OK 11 85 - 13 - 5268/2.9=2, 5268/2.9=2...(6) HB2 LYS 63 - HE3 LYS 44 lone 6 81 - 8 - HB2 LYS 63 - HE2 LYS 44 lone 6 81 - 8 - HB2 LYS 61 - HE3 LYS 45 poor 6 40 - 15 - 1.8/2783=2, 2773=1...(4) HB2 LYS 61 - HE2 LYS 45 poor 6 40 - 15 - 1.8/2783=2, 2773=1...(4) HB ILE 27 - HE3 LYS 44 lone 5 99 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 27 - HE2 LYS 44 lone 5 99 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 37 - HE3 LYS 44 lone 5 100 - 5 - HB ILE 37 - HE2 LYS 44 lone 5 100 - 5 - HD3 LYS 77 - HE3 LYS 44 lone 4 99 - 4 - HD3 LYS 77 - HE2 LYS 44 lone 4 99 - 4 - HB ILE 16 - HE3 LYS 44 lone 4 100 - 3 - HB ILE 16 - HE2 LYS 44 lone 4 100 - 3 - HB2 LYS 63 - HE3 LYS 35 lone 3 72 - 5 - HB2 LYS 63 - HE2 LYS 35 lone 3 72 - 5 - HB ILE 37 - HE3 LYS 35 lone 3 94 - 4 - HB ILE 37 - HE2 LYS 35 lone 3 94 - 4 - HB ILE 16 - HE2 LYS 61 lone 3 86 - 4 - HB ILE 16 - HE3 LYS 61 lone 3 84 - 4 - HB2 PRO 92 - HE2 LYS 35 lone 3 92 - 3 - HB2 PRO 92 - HE3 LYS 35 lone 3 92 - 3 - HD3 LYS 77 - HE2 LYS 61 lone 3 84 - 3 - HD3 LYS 77 - HE3 LYS 61 lone 2 82 - 3 - HB2 PRO 92 - HE2 LYS 44 lone 2 99 - 2 - HB2 PRO 92 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 77 - HE3 LYS 35 lone 2 92 - 2 - HD3 LYS 77 - HE2 LYS 35 lone 2 92 - 2 - HD3 LYS 77 - HE3 LYS 45 lone 2 57 - 3 - HD3 LYS 77 - HE2 LYS 45 lone 2 57 - 3 - HB2 PRO 92 - HE2 LYS 61 lone 2 84 - 2 - HB2 PRO 92 - HE3 LYS 61 lone 2 82 - 2 - HB ILE 27 - HE2 LYS 61 lone 2 85 - 2 - HB2 PRO 74 - HE2 LYS 61 lone 2 59 - 3 - 3.9/933=2 HB ILE 16 - HE2 LYS 35 lone 1 94 - 2 - HB ILE 16 - HE3 LYS 35 lone 1 94 - 2 - HB ILE 27 - HE3 LYS 61 lone 1 82 - 2 - HB ILE 27 - HE2 LYS 35 lone 1 93 - 1 - HB ILE 27 - HE3 LYS 35 lone 1 93 - 1 - HB2 GLU 87 - HE2 LYS 61 lone 1 57 - 2 - HB ILE 37 - HE2 LYS 45 lone 1 58 - 2 - HB ILE 37 - HE3 LYS 45 lone 1 58 - 2 - HB2 GLU 87 - HE3 LYS 61 lone 1 55 - 2 - HB2 GLU 87 - HE3 LYS 44 lone 1 73 - 1 - HB2 GLU 87 - HE2 LYS 44 lone 1 73 - 1 - HB2 PRO 74 - HE3 LYS 44 lone 1 76 - 1 - HB2 PRO 74 - HE2 LYS 44 lone 1 76 - 1 - HB ILE 27 - HE3 LYS 45 lone 1 58 - 1 - HB ILE 27 - HE2 LYS 45 lone 1 58 - 1 - HB2 PRO 74 - HE3 LYS 35 lone 1 67 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 67 - 1 - HB ILE 16 - HE3 LYS 45 lone 1 59 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 59 - 1 - HB2 PRO 74 - HE3 LYS 61 lone 1 57 - 1 - HB2 GLU 87 - HE2 LYS 35 lone 1 65 - 1 - HB2 GLU 87 - HE3 LYS 35 lone 1 65 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 57 - 1 - HB2 PRO 92 - HE2 LYS 45 lone 1 57 - 1 - HB2 GLU 87 - HE2 LYS 45 lone 0 37 - 1 - HB2 GLU 87 - HE3 LYS 45 lone 0 37 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 0 38 - 1 - HB2 PRO 74 - HE2 LYS 45 lone 0 38 - 1 - Peak 2240 from cnoeabs.peaks (1.86, 3.02, 41.80 ppm; 4.08 A): 5 out of 96 assignments used, quality = 1.00: * HB3 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB3 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE3 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 44 + HE2 LYS 44 OK 92 100 - 92 - 4.8=64, 2.9/2201=10...(39) HB2 LYS 61 + HE2 LYS 61 OK 47 55 - 87 - 5.0=54, 1.8/2782=10...(47) HB2 LYS 61 - HE3 LYS 61 OK 44 53 - 84 - 5.0=54, ~2782=8...(42) HB3 LYS 44 - HE2 LYS 61 OK 31 86 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB2 LYS 44 - HE2 LYS 61 OK 31 86 - 37 - 2.9/2201=3, 2.9/2210=3...(19) HB3 LYS 44 - HE3 LYS 61 OK 31 84 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB2 LYS 44 - HE3 LYS 61 OK 31 84 - 37 - 2.9/2200=3, 2.9/2209=3...(20) HB2 LYS 61 - HE3 LYS 44 OK 22 71 - 32 - 1.8/2782=4, ~2782=3...(10) HB2 LYS 61 - HE2 LYS 44 OK 22 71 - 32 - 1.8/2782=3, ~2782=3...(10) HB2 LYS 63 - HE2 LYS 61 OK 20 69 - 29 - 2903/2.9=2, 2903/2.9=2...(7) HB3 LYS 44 - HE3 LYS 35 OK 18 95 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE2 LYS 35 OK 18 95 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE3 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB2 LYS 44 - HE2 LYS 35 OK 18 94 - 18 - 2.9/2201=2, 2.9/2210=2...(7) HB3 LYS 44 - HE3 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB3 LYS 44 - HE2 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE3 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 44 - HE2 LYS 45 OK 16 59 - 27 - 189/7.3=3, 2.9/2200=2...(8) HB2 LYS 63 - HE3 LYS 61 OK 15 67 - 23 - 2903/2.9=2, 2903/2.9=2...(5) HB2 LYS 61 - HE3 LYS 35 OK 13 62 - 20 - 1.8/2782=2, ~2782=2...(7) HB2 LYS 61 - HE2 LYS 35 OK 13 62 - 20 - 1.8/2782=2, ~2782=2...(7) HB2 LYS 63 - HE2 LYS 45 OK 13 45 - 27 - 2905/1.8=2, ~2915=2...(8) HB2 LYS 63 - HE3 LYS 45 OK 13 45 - 27 - 2905/1.8=2, ~2915=2...(8) HB ILE 37 - HE3 LYS 61 OK 11 81 - 14 - ~5286=3, 5268/2.9=2...(6) HB ILE 37 - HE2 LYS 61 OK 10 83 - 13 - 5268/2.9=2, 5268/2.9=2...(6) HB2 LYS 63 - HE3 LYS 44 lone 7 87 - 8 - HB2 LYS 63 - HE2 LYS 44 lone 7 87 - 8 - HB2 LEU 62 - HE2 LYS 61 poor 6 46 - 13 - 3.0/7204=2, ~5957=2...(5) HB ILE 27 - HE3 LYS 44 lone 6 100 - 5 - 4963/3.9=2, 4943/6.3=1 HB ILE 27 - HE2 LYS 44 lone 6 100 - 5 - 4963/3.9=2, 4943/6.3=1 HB2 LEU 62 - HE3 LYS 61 poor 5 44 - 12 - ~5957=2, ~5955=1...(6) HB2 LYS 61 - HE2 LYS 45 poor 5 35 - 15 - 1.8/2783=2, ~2783=1...(4) HB2 LYS 61 - HE3 LYS 45 poor 5 35 - 15 - 1.8/2783=2, ~2783=1...(4) HB ILE 37 - HE3 LYS 44 lone 5 99 - 5 - HB ILE 37 - HE2 LYS 44 lone 5 99 - 5 - HD3 LYS 77 - HE3 LYS 44 lone 4 100 - 4 - HD3 LYS 77 - HE2 LYS 44 lone 4 100 - 4 - HB2 LYS 63 - HE2 LYS 35 lone 4 78 - 5 - HB2 LYS 63 - HE3 LYS 35 lone 4 78 - 5 - HB ILE 16 - HE3 LYS 44 lone 3 100 - 3 - HB ILE 16 - HE2 LYS 44 lone 3 100 - 3 - HB ILE 37 - HE2 LYS 35 lone 3 92 - 3 - HB ILE 37 - HE3 LYS 35 lone 3 92 - 3 - HB ILE 16 - HE2 LYS 61 lone 3 85 - 4 - HB ILE 16 - HE3 LYS 61 lone 3 83 - 4 - HB2 PRO 92 - HE2 LYS 35 lone 3 94 - 3 - HB2 PRO 92 - HE3 LYS 35 lone 3 94 - 3 - HD3 LYS 77 - HE2 LYS 61 lone 3 86 - 3 - HD3 LYS 77 - HE3 LYS 61 lone 2 83 - 3 - HB2 PRO 92 - HE2 LYS 44 lone 2 100 - 2 - HB2 PRO 92 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 77 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 77 - HE2 LYS 35 lone 2 94 - 2 - HD3 LYS 77 - HE2 LYS 45 lone 2 59 - 3 - HD3 LYS 77 - HE3 LYS 45 lone 2 59 - 3 - HB2 PRO 92 - HE2 LYS 61 lone 2 86 - 2 - HB2 PRO 92 - HE3 LYS 61 lone 2 83 - 2 - HB2 LEU 62 - HE3 LYS 44 lone 2 60 - 3 - HB2 LEU 62 - HE2 LYS 44 lone 2 60 - 3 - HB ILE 27 - HE2 LYS 61 lone 2 86 - 2 - HB2 LEU 62 - HE3 LYS 35 lone 2 52 - 3 - HB2 LEU 62 - HE2 LYS 35 lone 2 52 - 3 - HB ILE 16 - HE3 LYS 35 lone 1 94 - 2 - HB ILE 16 - HE2 LYS 35 lone 1 94 - 2 - HB ILE 27 - HE3 LYS 61 lone 1 84 - 2 - HB2 GLU 87 - HE2 LYS 61 lone 1 63 - 2 - HB2 GLU 87 - HE3 LYS 61 lone 1 61 - 2 - HB2 PRO 74 - HE2 LYS 61 lone 1 52 - 3 - 3.9/933=2 HB ILE 27 - HE2 LYS 35 lone 1 94 - 1 - HB ILE 27 - HE3 LYS 35 lone 1 94 - 1 - HB ILE 37 - HE3 LYS 45 lone 1 56 - 2 - HB ILE 37 - HE2 LYS 45 lone 1 56 - 2 - HB2 GLU 87 - HE2 LYS 44 lone 1 81 - 1 - HB2 GLU 87 - HE3 LYS 44 lone 1 81 - 1 - HB2 LEU 62 - HE2 LYS 45 lone 1 29 - 3 - HB2 LEU 62 - HE3 LYS 45 lone 1 29 - 3 - HB ILE 27 - HE3 LYS 45 lone 1 59 - 1 - HB ILE 27 - HE2 LYS 45 lone 1 59 - 1 - HB2 PRO 74 - HE3 LYS 44 lone 1 68 - 1 - HB2 PRO 74 - HE2 LYS 44 lone 1 68 - 1 - HB2 GLU 87 - HE2 LYS 35 lone 1 72 - 1 - HB2 GLU 87 - HE3 LYS 35 lone 1 72 - 1 - HB ILE 16 - HE3 LYS 45 lone 1 58 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 58 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 59 - 1 - HB2 PRO 92 - HE2 LYS 45 lone 1 59 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 60 - 1 - HB2 PRO 74 - HE3 LYS 35 lone 1 60 - 1 - HB2 PRO 74 - HE3 LYS 61 lone 1 51 - 1 - HB2 GLU 87 - HE2 LYS 45 lone 0 41 - 1 - HB2 GLU 87 - HE3 LYS 45 lone 0 41 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 0 33 - 1 - HB2 PRO 74 - HE2 LYS 45 lone 0 33 - 1 - Peak 2241 from cnoeabs.peaks (1.47, 3.02, 41.80 ppm; 3.33 A): 2 out of 64 assignments used, quality = 0.99: * HG2 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.9=61, 2198/3.0=10...(44) HG2 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.9=61, 2198/3.0=10...(45) HG2 LYS 44 - HE2 LYS 61 OK 25 86 - 30 - 2201=3, 2200/1.8=3...(10) HG2 LYS 44 - HE3 LYS 61 OK 23 84 - 28 - 2200=3, 2201/1.8=3...(10) HG2 LYS 44 - HE3 LYS 35 OK 14 95 - 15 - 2201=2, 2201/1.8=2, 1.8/2210=1 HG2 LYS 44 - HE2 LYS 35 OK 14 95 - 15 - 2201=2, 2201/1.8=2, 1.8/2210=1 HG2 LYS 44 - HE3 LYS 45 OK 13 59 - 22 - 2200=2, 2200/1.8=2...(8) HG2 LYS 44 - HE2 LYS 45 OK 13 59 - 22 - 2200=2, 2200/1.8=2...(8) QB ALA 31 - HE2 LYS 35 OK 11 91 - 12 - 4.8/5134=3, ~5115=3...(6) QB ALA 31 - HE3 LYS 35 OK 11 91 - 12 - 4.8/5134=3, ~5115=3...(6) HB2 LYS 41 - HE3 LYS 61 lone 8 84 - 9 - 2064/1.8=3, ~2054=1, ~2119=1 QB ALA 31 - HE3 LYS 45 poor 6 56 - 11 - 5095/5.0=2, 5095/5.0=2...(6) QB ALA 31 - HE2 LYS 45 poor 6 56 - 11 - 5095/5.0=2, 5095/5.0=2...(6) HB2 LYS 41 - HE2 LYS 61 lone 6 86 - 6 - 2064=1 QB ALA 31 - HE3 LYS 44 lone 5 98 - 5 - QB ALA 31 - HE2 LYS 44 lone 5 98 - 5 - HB2 LYS 41 - HE3 LYS 45 lone 4 59 - 7 - 2061/3.5=3, 2078/3.5=2 HB2 LYS 41 - HE2 LYS 45 lone 4 59 - 7 - 2061/3.5=3, 2078/3.5=2 HB ILE 51 - HE3 LYS 44 lone 3 92 - 3 - HB ILE 51 - HE2 LYS 44 lone 3 92 - 3 - QB ALA 31 - HE2 LYS 61 lone 3 82 - 3 - QB ALA 31 - HE3 LYS 61 lone 2 80 - 3 - HG2 LYS 86 - HE3 LYS 44 lone 2 76 - 3 - HG2 LYS 86 - HE2 LYS 44 lone 2 76 - 3 - HB2 LYS 41 - HE3 LYS 44 lone 2 100 - 2 - HB2 LYS 41 - HE2 LYS 44 lone 2 100 - 2 - HG2 LYS 86 - HE2 LYS 61 lone 1 59 - 2 - HB2 LYS 41 - HE2 LYS 35 lone 1 94 - 1 - HB2 LYS 41 - HE3 LYS 35 lone 1 94 - 1 - HB ILE 51 - HE3 LYS 35 lone 1 83 - 2 - HB ILE 51 - HE2 LYS 35 lone 1 83 - 2 - HG2 LYS 86 - HE3 LYS 61 lone 1 57 - 2 - HG2 LYS 86 - HE3 LYS 35 lone 1 67 - 2 - HG2 LYS 86 - HE2 LYS 35 lone 1 67 - 2 - QG2 THR 67 - HE2 LYS 35 lone 1 74 - 2 - QG2 THR 67 - HE3 LYS 35 lone 1 74 - 2 - HB ILE 51 - HE2 LYS 61 lone 1 74 - 1 - HG LEU 53 - HE2 LYS 35 lone 1 57 - 2 - 5798/5.9=1 HG LEU 53 - HE3 LYS 35 lone 1 57 - 2 - 5798/5.9=1 HB ILE 51 - HE3 LYS 61 lone 1 72 - 1 - HG12 ILE 80 - HE2 LYS 35 lone 1 74 - 1 - HG12 ILE 80 - HE3 LYS 35 lone 1 74 - 1 - QG2 THR 67 - HE2 LYS 61 lone 1 65 - 1 - QG2 THR 67 - HE3 LYS 61 lone 1 63 - 1 - HG12 ILE 80 - HE3 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HE2 LYS 44 lone 1 83 - 1 - HG2 LYS 86 - HE3 LYS 45 lone 1 38 - 2 - HG2 LYS 86 - HE2 LYS 45 lone 1 38 - 2 - QG2 THR 67 - HE3 LYS 44 lone 1 83 - 1 - QG2 THR 67 - HE2 LYS 44 lone 1 83 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 1 43 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 1 43 - 1 - HB ILE 51 - HE3 LYS 45 lone 1 49 - 1 - HB ILE 51 - HE2 LYS 45 lone 1 49 - 1 - HG12 ILE 80 - HE2 LYS 61 lone 0 65 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 63 - 1 - HG LEU 53 - HE3 LYS 44 lone 0 65 - 1 - HG LEU 53 - HE2 LYS 44 lone 0 65 - 1 - HG LEU 53 - HE2 LYS 61 lone 0 50 - 1 - HG LEU 53 - HE3 LYS 61 lone 0 48 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 43 - 1 - QG2 THR 67 - HE3 LYS 45 lone 0 43 - 1 - HG LEU 53 - HE2 LYS 45 lone 0 32 - 1 - HG LEU 53 - HE3 LYS 45 lone 0 32 - 1 - Peak 2242 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.56 A): 2 out of 72 assignments used, quality = 1.00: * HG3 LYS 44 + HE3 LYS 44 OK 93 100 - 93 - 3.9=74, 1.8/2201=10...(43) HG3 LYS 44 + HE2 LYS 44 OK 93 100 - 93 - 3.9=74, 1.8/2201=10...(43) HG3 LYS 44 - HE2 LYS 61 OK 27 86 - 31 - 1.8/2201=3, 2210=3...(12) HG3 LYS 44 - HE3 LYS 61 OK 26 84 - 32 - 1.8/2200=3, 2209=3...(13) HG3 LYS 44 - HE3 LYS 35 OK 16 95 - 17 - 2210=2, 1.8/2201=2...(5) HG3 LYS 44 - HE2 LYS 35 OK 16 95 - 17 - 2210=2, 1.8/2201=2...(5) HB3 LYS 94 - HE2 LYS 61 OK 16 71 - 23 - 3871/2.9=2, 3871/2.9=2...(4) HG3 LYS 44 - HE2 LYS 45 OK 14 59 - 23 - 192/7.3=4, 1.8/2200=2...(6) HG3 LYS 44 - HE3 LYS 45 OK 14 59 - 23 - 192/7.3=4, 1.8/2200=2...(6) HB3 LYS 94 - HE3 LYS 61 OK 13 69 - 19 - 3871/2.9=2, 3871/2.9=2, ~2121=1 HB3 LYS 94 - HE2 LYS 45 OK 11 47 - 24 - 3868/3.5=2, ~3862=2...(8) HB3 LYS 94 - HE3 LYS 45 OK 11 47 - 24 - 3868/3.5=2, ~3862=2...(8) HB3 LYS 63 - HE2 LYS 61 OK 11 55 - 20 - 2913/2.9=1, 2913/2.9=1...(5) HB3 LYS 94 - HE3 LYS 44 poor 10 89 - 11 - HB3 LYS 94 - HE2 LYS 44 poor 10 89 - 11 - HB3 LYS 63 - HE3 LYS 61 poor 7 53 - 14 - 2913/2.9=1, 2913/2.9=1, ~2903=1 HB3 LYS 63 - HE2 LYS 45 poor 7 35 - 19 - ~2905=2, ~2904=2, 2915/1.8=1 HB3 LYS 63 - HE3 LYS 45 poor 7 35 - 19 - ~2905=2, ~2904=2, 2915/1.8=1 HG2 LYS 77 - HE3 LYS 44 lone 5 93 - 5 - HG2 LYS 77 - HE2 LYS 44 lone 5 93 - 5 - HG3 LYS 77 - HE3 LYS 44 lone 5 92 - 5 - HG3 LYS 77 - HE2 LYS 44 lone 5 92 - 5 - HB3 LYS 94 - HE2 LYS 35 lone 4 80 - 5 - HB3 LYS 94 - HE3 LYS 35 lone 4 80 - 5 - HB3 LEU 62 - HE2 LYS 61 lone 4 48 - 9 - 3.0/7204=1, ~5957=1 HB3 LEU 62 - HE3 LYS 61 lone 4 46 - 8 - ~5957=1 HB3 LYS 63 - HE3 LYS 44 lone 4 71 - 5 - HD2 LYS 86 - HE3 LYS 44 lone 4 96 - 4 - HB3 LYS 63 - HE2 LYS 44 lone 4 71 - 5 - HD2 LYS 86 - HE2 LYS 44 lone 4 96 - 4 - HB3 PRO 49 - HE3 LYS 44 lone 3 98 - 3 - HB3 PRO 49 - HE2 LYS 44 lone 3 98 - 3 - HD2 LYS 86 - HE2 LYS 61 lone 3 79 - 3 - HD2 LYS 86 - HE3 LYS 61 lone 3 76 - 3 - HG2 LYS 77 - HE2 LYS 61 lone 3 76 - 3 - HG3 LYS 77 - HE2 LYS 61 lone 3 74 - 3 - HG2 LYS 77 - HE3 LYS 61 lone 2 74 - 3 - HG3 LYS 77 - HE3 LYS 61 lone 2 72 - 3 - HD2 LYS 86 - HE3 LYS 35 lone 2 88 - 2 - HD2 LYS 86 - HE2 LYS 35 lone 2 88 - 2 - HG2 LYS 77 - HE3 LYS 45 lone 2 51 - 4 - HG2 LYS 77 - HE2 LYS 45 lone 2 51 - 4 - HG3 LYS 77 - HE3 LYS 45 lone 2 49 - 4 - HG3 LYS 77 - HE2 LYS 45 lone 2 49 - 4 - HB3 LYS 63 - HE2 LYS 35 lone 2 62 - 3 - HB3 LYS 63 - HE3 LYS 35 lone 2 62 - 3 - HB3 GLU 87 - HE2 LYS 61 lone 2 85 - 2 - HB3 GLU 87 - HE3 LYS 61 lone 2 83 - 2 - HG2 LYS 77 - HE2 LYS 35 lone 2 85 - 2 - HG2 LYS 77 - HE3 LYS 35 lone 2 85 - 2 - HG3 LYS 77 - HE3 LYS 35 lone 2 83 - 2 - HG3 LYS 77 - HE2 LYS 35 lone 2 83 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 53 - 2 - HD2 LYS 86 - HE2 LYS 45 lone 1 53 - 2 - HB3 LEU 62 - HE2 LYS 35 lone 1 55 - 2 - HB3 LEU 62 - HE3 LYS 35 lone 1 55 - 2 - HB3 LEU 62 - HE3 LYS 44 lone 1 63 - 2 - HB3 LEU 62 - HE2 LYS 44 lone 1 63 - 2 - HB3 PRO 49 - HE2 LYS 61 lone 1 82 - 1 - HB3 PRO 49 - HE3 LYS 61 lone 1 80 - 1 - HB3 GLU 87 - HE2 LYS 44 lone 1 100 - 1 - HB3 GLU 87 - HE3 LYS 44 lone 1 100 - 1 - HB3 PRO 49 - HE3 LYS 45 lone 1 56 - 1 - HB3 PRO 49 - HE2 LYS 45 lone 1 56 - 1 - HB3 PRO 49 - HE3 LYS 35 lone 1 91 - 1 - HB3 PRO 49 - HE2 LYS 35 lone 1 91 - 1 - HB3 GLU 87 - HE3 LYS 35 lone 1 94 - 1 - HB3 GLU 87 - HE2 LYS 35 lone 1 94 - 1 - HB3 LEU 62 - HE2 LYS 45 lone 1 30 - 2 - HB3 LEU 62 - HE3 LYS 45 lone 1 30 - 2 - HB3 GLU 87 - HE3 LYS 45 lone 0 58 - 1 - HB3 GLU 87 - HE2 LYS 45 lone 0 58 - 1 - Peak 2243 from cnoeabs.peaks (1.68, 3.02, 41.80 ppm; 2.44 A): 10 out of 144 assignments used, quality = 1.00: * HD2 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 35 + HE2 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 62 86 - 72 - 2.9=58, 1.8/2812=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 62 86 - 72 - 2.9=58, 1.8/2812=3...(8) HD3 LYS 61 + HE3 LYS 61 OK 57 84 - 68 - 2.9=58, 2812/1.8=3...(9) HD2 LYS 61 + HE3 LYS 61 OK 57 84 - 68 - 2.9=58, 2812/1.8=3...(9) HD3 LYS 45 - HE2 LYS 45 OK 29 43 - 67 - 3.0=55, 2284/3.5=3...(13) HD3 LYS 45 - HE3 LYS 45 OK 29 43 - 67 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE2 LYS 45 OK 27 40 - 68 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE3 LYS 45 OK 27 40 - 68 - 3.0=55, 2284/3.5=3...(13) HB3 LYS 61 - HE2 LYS 61 OK 22 59 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 19 57 - 33 - 5.0=11, ~2772=2...(11) HD3 LYS 35 - HE3 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1822=1 HD3 LYS 35 - HE2 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1822=1 HD3 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 44 - HE2 LYS 61 poor 9 86 - 11 - 3.0/2201=1 HD3 LYS 44 - HE2 LYS 61 poor 9 86 - 11 - 3.0/2201=1 HD2 LYS 44 - HE3 LYS 61 poor 9 84 - 10 - 3.0/2200=1 HD3 LYS 44 - HE3 LYS 61 poor 9 84 - 10 - 3.0/2200=1 HB3 LYS 61 - HE3 LYS 44 poor 8 76 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 8 76 - 11 - HD2 LYS 94 - HE2 LYS 61 lone 6 86 - 8 - HD3 LYS 94 - HE2 LYS 61 lone 6 86 - 8 - HD3 LYS 35 - HE2 LYS 61 lone 6 86 - 7 - 3.0/1833=1, 3.0/1822=1 HD2 LYS 44 - HE3 LYS 35 lone 6 95 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 6 95 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 95 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 95 - 6 - HD3 LYS 35 - HE3 LYS 61 lone 6 83 - 7 - 3.0/1833=1 HD3 LYS 61 - HE3 LYS 35 lone 5 95 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 5 95 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 5 95 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 5 95 - 6 - HD2 LYS 94 - HE3 LYS 61 lone 5 83 - 6 - HD3 LYS 94 - HE3 LYS 61 lone 5 83 - 6 - HD3 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE3 LYS 45 lone 4 59 - 7 - HD2 LYS 94 - HE2 LYS 45 lone 4 59 - 7 - HD3 LYS 94 - HE2 LYS 45 lone 4 59 - 7 - HD2 LYS 94 - HE3 LYS 45 lone 4 59 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 67 - 6 - HB3 LYS 61 - HE3 LYS 35 lone 4 67 - 6 - HD2 LYS 44 - HE3 LYS 45 lone 4 59 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 4 59 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 4 59 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 4 59 - 7 - HD3 LYS 45 - HE3 LYS 44 lone 4 83 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 83 - 5 - HD3 LYS 63 - HE2 LYS 61 lone 4 86 - 4 - HD2 LYS 45 - HE3 LYS 44 lone 4 78 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 3 78 - 5 - HB ILE 40 - HE2 LYS 35 lone 3 95 - 3 - 1801/4.9=1 HB ILE 40 - HE3 LYS 35 lone 3 95 - 3 - 1801/4.9=1 HD3 LYS 63 - HE3 LYS 61 lone 3 84 - 4 - HD2 LYS 61 - HE2 LYS 45 lone 3 59 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 3 59 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 3 59 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 3 59 - 5 - HD3 LYS 45 - HE2 LYS 61 lone 2 65 - 3 - HD2 LYS 45 - HE2 LYS 61 lone 2 61 - 3 - HD2 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 45 - HE3 LYS 61 lone 2 63 - 3 - HD2 LYS 45 - HE3 LYS 61 lone 2 59 - 3 - HB3 LYS 61 - HE2 LYS 45 lone 2 38 - 4 - HB3 LYS 61 - HE3 LYS 45 lone 2 38 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 2 59 - 3 - HD3 LYS 63 - HE3 LYS 45 lone 2 59 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 81 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 81 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 95 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 89 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 89 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 94 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 97 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 95 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 95 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 97 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 80 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 76 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 76 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 77 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 63 - 1 - QB ALA 79 - HE3 LYS 35 lone 1 86 - 1 - QB ALA 79 - HE2 LYS 35 lone 1 86 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 86 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 61 - 1 - QB ALA 79 - HE3 LYS 61 lone 0 75 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 78 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 74 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 74 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 72 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 72 - 1 - HG3 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 45 - HE2 LYS 35 lone 0 70 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 70 - 1 - HG3 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 84 - 0 - HD3 LYS 35 - HE3 LYS 45 lone 0 59 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 59 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 41 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 41 - 1 - HG3 ARG 57 - HE2 LYS 35 lone 0 95 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 95 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 95 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 95 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 84 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 84 - 0 - QB ALA 79 - HE2 LYS 45 lone 0 52 - 1 - QB ALA 79 - HE3 LYS 45 lone 0 52 - 1 - HG3 ARG 57 - HE2 LYS 61 lone 0 86 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 86 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 67 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 67 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 59 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 59 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 59 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 57 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 59 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 59 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 59 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 59 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 54 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 54 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 38 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 38 - 0 - Peak 2244 from cnoeabs.peaks (1.68, 3.02, 41.80 ppm; 2.44 A): 10 out of 144 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD2 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) * HD3 LYS 44 + HE3 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 44 + HE2 LYS 44 OK 71 100 - 71 - 3.0=56, 3.0/2201=3...(18) HD3 LYS 35 + HE2 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 62 94 - 66 - 3.0=55, 1846/4.9=5...(11) HD2 LYS 61 + HE2 LYS 61 OK 62 86 - 72 - 2.9=58, 1.8/2812=3...(8) HD3 LYS 61 + HE2 LYS 61 OK 62 86 - 72 - 2.9=58, 1.8/2812=3...(8) HD3 LYS 61 + HE3 LYS 61 OK 57 84 - 68 - 2.9=58, 2822/1.8=3...(9) HD2 LYS 61 + HE3 LYS 61 OK 57 84 - 68 - 2.9=58, 2822/1.8=3...(9) HD3 LYS 45 - HE2 LYS 45 OK 30 44 - 67 - 3.0=55, 2284/3.5=3...(13) HD3 LYS 45 - HE3 LYS 45 OK 30 44 - 67 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE2 LYS 45 OK 28 41 - 68 - 3.0=55, 2284/3.5=3...(13) HD2 LYS 45 - HE3 LYS 45 OK 28 41 - 68 - 3.0=55, 2284/3.5=3...(13) HB3 LYS 61 - HE2 LYS 61 OK 21 57 - 37 - 5.0=11, 1.8/2772=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 18 55 - 33 - 5.0=11, ~2772=2...(11) HD3 LYS 35 - HE2 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 35 - HE3 LYS 44 lone 10 100 - 10 - 3.0/1832=1, 3.0/1823=1 HD2 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE3 LYS 44 lone 10 100 - 10 - HD2 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD3 LYS 61 - HE2 LYS 44 lone 10 100 - 10 - HD2 LYS 44 - HE2 LYS 61 poor 9 86 - 11 - 3.0/2201=1 HD3 LYS 44 - HE2 LYS 61 poor 9 86 - 11 - 3.0/2201=1 HD3 LYS 44 - HE3 LYS 61 poor 9 84 - 10 - 3.0/2200=1 HD2 LYS 44 - HE3 LYS 61 poor 9 84 - 10 - 3.0/2200=1 HB3 LYS 61 - HE3 LYS 44 poor 8 73 - 11 - HB3 LYS 61 - HE2 LYS 44 poor 8 73 - 11 - HD2 LYS 94 - HE2 LYS 61 lone 6 85 - 8 - HD3 LYS 94 - HE2 LYS 61 lone 6 85 - 8 - HD3 LYS 35 - HE2 LYS 61 lone 6 86 - 7 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 44 - HE3 LYS 35 lone 6 95 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 6 95 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 6 95 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 6 95 - 6 - HD3 LYS 35 - HE3 LYS 61 lone 6 84 - 7 - 3.0/1833=1 HD3 LYS 61 - HE2 LYS 35 lone 5 95 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 5 95 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 5 95 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 5 95 - 6 - HD3 LYS 94 - HE3 LYS 61 lone 5 83 - 6 - HD2 LYS 94 - HE3 LYS 61 lone 5 83 - 6 - HD3 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 5 100 - 5 - HD2 LYS 94 - HE3 LYS 45 lone 4 58 - 7 - HD3 LYS 94 - HE2 LYS 45 lone 4 58 - 7 - HD2 LYS 94 - HE2 LYS 45 lone 4 58 - 7 - HD3 LYS 94 - HE3 LYS 45 lone 4 58 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 65 - 6 - HB3 LYS 61 - HE3 LYS 35 lone 4 65 - 6 - HD3 LYS 44 - HE2 LYS 45 lone 4 59 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 4 59 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 4 59 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 4 59 - 7 - HD3 LYS 45 - HE3 LYS 44 lone 4 85 - 5 - HD3 LYS 45 - HE2 LYS 44 lone 4 85 - 5 - HD2 LYS 45 - HE3 LYS 44 lone 4 81 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 4 81 - 5 - HD3 LYS 63 - HE2 LYS 61 lone 4 86 - 4 - HB ILE 40 - HE2 LYS 35 lone 3 95 - 3 - 1801/4.9=1 HB ILE 40 - HE3 LYS 35 lone 3 95 - 3 - 1801/4.9=1 HD3 LYS 63 - HE3 LYS 61 lone 3 84 - 4 - HD2 LYS 61 - HE2 LYS 45 lone 3 59 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 3 59 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 3 59 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 3 59 - 5 - HD3 LYS 45 - HE2 LYS 61 lone 2 67 - 3 - HD2 LYS 45 - HE2 LYS 61 lone 2 63 - 3 - HD3 LYS 45 - HE3 LYS 61 lone 2 65 - 3 - HD2 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 94 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 94 - 2 - HD2 LYS 45 - HE3 LYS 61 lone 2 61 - 3 - HB3 LYS 61 - HE2 LYS 45 lone 2 37 - 4 - HB3 LYS 61 - HE3 LYS 45 lone 2 37 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 2 59 - 3 - HD3 LYS 63 - HE3 LYS 45 lone 2 59 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 83 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 83 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 90 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 90 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 93 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 93 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 97 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 95 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 95 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 97 - 1 - HG12 ILE 39 - HE2 LYS 61 lone 1 81 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 73 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 73 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 76 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 65 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 63 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 86 - 1 - QB ALA 79 - HE3 LYS 35 lone 0 85 - 1 - QB ALA 79 - HE2 LYS 35 lone 0 85 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 79 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 76 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 76 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 74 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 74 - 1 - QB ALA 79 - HE3 LYS 61 lone 0 74 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 72 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 72 - 1 - HG3 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 100 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 100 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 84 - 0 - HD3 LYS 35 - HE2 LYS 45 lone 0 59 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 59 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 43 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 43 - 1 - HG3 ARG 57 - HE2 LYS 35 lone 0 94 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 94 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 95 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 95 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 84 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 84 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 86 - 0 - HG3 ARG 57 - HE2 LYS 61 lone 0 86 - 0 - QB ALA 79 - HE3 LYS 45 lone 0 51 - 1 - QB ALA 79 - HE2 LYS 45 lone 0 51 - 1 - HB ILE 40 - HE2 LYS 45 lone 0 59 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 59 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 65 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 65 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 59 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 59 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 59 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 59 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 57 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 55 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 55 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 55 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 37 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 37 - 0 - Peak 2245 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 94 94 - 100 HE3 LYS 35 + HE3 LYS 35 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 74 74 - 100 HE3 LYS 61 + HE3 LYS 61 OK 74 74 - 100 HE2 LYS 45 - HE2 LYS 45 OK 38 38 - 100 HE3 LYS 45 - HE3 LYS 45 OK 38 38 - 100 Reference assignment not found: HE2 LYS 44 - HE3 LYS 44 Peak 2246 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: * HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 94 94 - 100 HE3 LYS 35 + HE3 LYS 35 OK 94 94 - 100 HE2 LYS 61 + HE2 LYS 61 OK 76 76 - 100 HE3 LYS 61 + HE3 LYS 61 OK 72 72 - 100 HE2 LYS 45 - HE2 LYS 45 OK 37 37 - 100 HE3 LYS 45 - HE3 LYS 45 OK 37 37 - 100 Peak 2247 from cnoeabs.peaks (8.31, 4.24, 57.98 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2248 from cnoeabs.peaks (4.24, 4.24, 57.98 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 45 + HA LYS 45 OK 100 100 - 100 HA ILE 37 + HA ILE 37 OK 61 61 - 100 HA GLU 58 + HA GLU 58 OK 49 49 - 100 Peak 2249 from cnoeabs.peaks (1.95, 4.24, 57.98 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.0=100 * HB2 LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2250 from cnoeabs.peaks (1.95, 4.24, 57.98 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.0=100 HB2 LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2251 from cnoeabs.peaks (1.51, 4.24, 57.98 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 45 + HA LYS 45 OK 100 100 - 100 - 3.8=100 Peak 2252 from cnoeabs.peaks (1.40, 4.24, 57.98 ppm; 3.80 A): 1 out of 21 assignments used, quality = 0.99: * HG3 LYS 45 + HA LYS 45 OK 99 100 - 99 - 3.8=99 QB ALA 78 - HA ILE 37 OK 37 76 - 49 - 6456/4.2=17, 7159/3.2=16...(7) HG2 LYS 61 - HA LYS 45 OK 20 87 - 23 - 2288=3, 791/3.0=3...(7) HG3 LYS 61 - HA LYS 45 OK 20 85 - 23 - 2288=3, 791/3.0=3...(7) QB ALA 78 - HA LYS 45 OK 12 100 - 12 - 202/3.6=3, 791/3.0=3...(4) HG2 LYS 61 - HA ILE 37 poor 8 61 - 13 - 7159/3.2=3, 7158/4.2=1...(5) HG3 LYS 61 - HA ILE 37 poor 7 59 - 13 - 7159/3.2=3, ~7159=2...(5) HG2 LYS 41 - HA ILE 37 lone 7 76 - 10 - 7159/3.2=3, 7158/4.2=3, 2288=1 HB3 LEU 53 - HA ILE 37 poor 7 67 - 10 - 7159/3.2=3, 7158/4.2=2, ~5806=1 HB3 LEU 53 - HA GLU 58 poor 7 60 - 11 - 2560/3.0=3, ~2553=2...(5) HG2 LYS 41 - HA LYS 45 lone 7 100 - 6 - 791/3.0=1, 2288=1...(4) HD3 LYS 86 - HA LYS 45 lone 5 85 - 6 - 202/3.6=2 HG3 LYS 45 - HA ILE 37 lone 3 77 - 4 - 7158/4.2=1 HB3 LEU 53 - HA LYS 45 lone 3 93 - 3 - HD3 LYS 86 - HA ILE 37 lone 2 59 - 4 - HG2 LYS 41 - HA GLU 58 lone 2 69 - 2 - QB ALA 78 - HA GLU 58 lone 1 69 - 2 - HG3 LYS 45 - HA GLU 58 lone 1 70 - 1 - HG2 LYS 61 - HA GLU 58 lone 1 55 - 2 - HG3 LYS 61 - HA GLU 58 lone 1 53 - 2 - HD3 LYS 86 - HA GLU 58 lone 1 53 - 1 - Peak 2253 from cnoeabs.peaks (1.70, 4.24, 57.98 ppm; 4.12 A): 2 out of 51 assignments used, quality = 0.99: * HD2 LYS 45 + HA LYS 45 OK 89 100 - 89 - 5.1=52, 2.9/2252=13...(35) HD3 LYS 45 + HA LYS 45 OK 89 100 - 89 - 5.1=52, 2.9/2252=13...(33) HG2 ARG 57 - HA GLU 58 OK 32 49 - 65 - 3.9/5889=12, 254/3.0=10...(14) HG3 ARG 57 - HA GLU 58 OK 30 46 - 65 - 3.9/5889=12, 254/3.0=10...(14) HD3 LYS 44 - HA LYS 45 OK 29 81 - 36 - ~192=9, 793/3.0=3...(13) HD2 LYS 44 - HA LYS 45 OK 28 78 - 36 - ~192=9, 793/3.0=3...(13) HD2 LYS 61 - HA LYS 45 OK 22 78 - 28 - 3.0/2252=3, 3.0/2252=3...(12) HD3 LYS 61 - HA LYS 45 OK 22 78 - 28 - 3.0/2252=3, 3.0/2252=3...(12) HB ILE 80 - HA ILE 37 OK 14 62 - 22 - 2.9/1920=4, ~748=3...(11) HD3 LYS 94 - HA LYS 45 poor 10 68 - 14 - 2284/3.8=1 HD2 LYS 94 - HA LYS 45 poor 10 68 - 14 - 2284/3.8=1 HD2 LYS 61 - HA ILE 37 poor 9 53 - 17 - ~5286=2, ~5269=1...(6) HD3 LYS 61 - HA ILE 37 poor 9 53 - 17 - ~5286=2, ~5269=1...(6) HB2 LEU 53 - HA GLU 58 poor 8 56 - 13 - 2553/3.0=3, ~2560=3...(6) HB2 LEU 53 - HA ILE 37 poor 7 62 - 11 - ~7159=2, 5817/3.2=2...(6) HD3 LYS 63 - HA LYS 45 lone 6 78 - 8 - 1.8/2937=1 HB ILE 80 - HA LYS 45 lone 5 89 - 5 - ~6517=1 HD2 LYS 77 - HA ILE 37 lone 5 77 - 6 - 6407/3.6=2, ~5286=1 HD2 LYS 77 - HA LYS 45 lone 4 100 - 4 - HD2 LYS 77 - HA GLU 58 lone 4 70 - 5 - ~5898=2 HD3 LYS 44 - HA ILE 37 lone 4 55 - 7 - 6407/3.6=1 HD2 LYS 44 - HA ILE 37 lone 4 53 - 7 - 6407/3.6=1 HG12 ILE 39 - HA ILE 37 lone 4 71 - 5 - 5336/3.6=3 HG2 ARG 57 - HA ILE 37 lone 3 55 - 6 - 3.9/5889=2 HD3 LYS 35 - HA ILE 37 lone 3 61 - 5 - 5266/3.0=2, 5336/3.6=1 HG3 ARG 57 - HA ILE 37 lone 3 51 - 6 - 3.9/5889=2 HG2 ARG 57 - HA LYS 45 lone 3 81 - 3 - 3.9/5889=1 HD2 LYS 45 - HA ILE 37 lone 3 77 - 3 - HD3 LYS 45 - HA ILE 37 lone 3 77 - 3 - HB ILE 40 - HA ILE 37 lone 3 55 - 5 - 5336/3.6=2 HB2 LEU 53 - HA LYS 45 lone 3 89 - 3 - HG3 ARG 57 - HA LYS 45 lone 3 76 - 3 - 3.9/5889=1 HD2 LYS 94 - HA ILE 37 lone 3 45 - 6 - HD3 LYS 94 - HA ILE 37 lone 3 45 - 6 - HB ILE 40 - HA LYS 45 lone 2 81 - 2 - HD3 LYS 35 - HA LYS 45 lone 2 87 - 2 - HD2 LYS 61 - HA GLU 58 lone 1 48 - 3 - HD3 LYS 61 - HA GLU 58 lone 1 48 - 3 - HD3 LYS 63 - HA ILE 37 lone 1 53 - 3 - HG12 ILE 39 - HA LYS 45 lone 1 97 - 1 - HD2 LYS 45 - HA GLU 58 lone 1 70 - 2 - HD3 LYS 45 - HA GLU 58 lone 1 70 - 2 - HD3 LYS 94 - HA GLU 58 lone 1 40 - 3 - HD2 LYS 94 - HA GLU 58 lone 1 40 - 3 - HD3 LYS 63 - HA GLU 58 lone 1 48 - 2 - HD3 LYS 44 - HA GLU 58 lone 1 49 - 2 - HD2 LYS 44 - HA GLU 58 lone 1 48 - 2 - HB ILE 40 - HA GLU 58 lone 1 49 - 2 - HD3 LYS 35 - HA GLU 58 lone 1 55 - 1 - HB ILE 80 - HA GLU 58 lone 1 56 - 1 - HG12 ILE 39 - HA GLU 58 lone 1 64 - 1 - Peak 2254 from cnoeabs.peaks (1.70, 4.24, 57.98 ppm; 4.20 A): 2 out of 51 assignments used, quality = 0.99: HD2 LYS 45 + HA LYS 45 OK 90 100 - 90 - 5.1=55, 2.9/2252=14...(35) * HD3 LYS 45 + HA LYS 45 OK 90 100 - 90 - 5.1=55, 2.9/2252=14...(34) HG2 ARG 57 - HA GLU 58 OK 35 53 - 67 - 3.9/5889=12, 254/3.0=11...(14) HG3 ARG 57 - HA GLU 58 OK 33 49 - 67 - 3.9/5889=12, 254/3.0=11...(14) HD3 LYS 44 - HA LYS 45 OK 32 85 - 38 - ~192=10, 793/3.0=3...(15) HD2 LYS 44 - HA LYS 45 OK 31 83 - 38 - ~192=10, 793/3.0=3...(13) HD3 LYS 61 - HA LYS 45 OK 24 83 - 29 - 3.0/2252=3, 3.0/2252=3...(13) HD2 LYS 61 - HA LYS 45 OK 24 83 - 29 - 3.0/2252=3, 3.0/2252=3...(13) HB ILE 80 - HA ILE 37 OK 14 59 - 23 - 2.9/1920=4, ~748=3...(11) HD3 LYS 94 - HA LYS 45 OK 11 73 - 15 - 2284/3.8=1 HD2 LYS 94 - HA LYS 45 OK 11 73 - 15 - 2284/3.8=1 HD3 LYS 61 - HA ILE 37 OK 10 57 - 18 - ~5286=2, ~5269=2...(9) HD2 LYS 61 - HA ILE 37 OK 10 57 - 18 - ~5286=2, ~5269=2...(9) HB2 LEU 53 - HA GLU 58 poor 7 53 - 14 - 2553/3.0=3, ~2560=3...(6) HB2 LEU 53 - HA ILE 37 poor 7 59 - 12 - ~7159=2, 5817/3.2=2...(6) HD3 LYS 63 - HA LYS 45 lone 7 83 - 8 - 1.8/2937=1 HB ILE 80 - HA LYS 45 lone 5 85 - 6 - ~6517=1 HD2 LYS 77 - HA ILE 37 lone 5 77 - 6 - 6407/3.6=2, ~5286=1 HD3 LYS 44 - HA ILE 37 lone 4 59 - 8 - 6407/3.6=1 HG12 ILE 39 - HA ILE 37 lone 4 73 - 6 - 5336/3.6=4 HD2 LYS 44 - HA ILE 37 lone 4 57 - 7 - 6407/3.6=1 HD2 LYS 77 - HA LYS 45 lone 4 100 - 4 - HD2 LYS 77 - HA GLU 58 lone 4 70 - 6 - ~5898=2, 254/3.0=1 HG2 ARG 57 - HA ILE 37 lone 4 59 - 6 - 3.9/5889=2 HD3 LYS 35 - HA ILE 37 lone 4 64 - 6 - 5266/3.0=2, 5336/3.6=2 HG3 ARG 57 - HA ILE 37 lone 3 55 - 6 - 3.9/5889=2 HB ILE 40 - HA ILE 37 lone 3 59 - 5 - 5336/3.6=2 HD2 LYS 94 - HA ILE 37 lone 3 49 - 6 - HD3 LYS 94 - HA ILE 37 lone 3 49 - 6 - HG2 ARG 57 - HA LYS 45 lone 3 85 - 3 - 3.9/5889=1 HG3 ARG 57 - HA LYS 45 lone 3 81 - 3 - 3.9/5889=1 HD3 LYS 45 - HA ILE 37 lone 3 77 - 4 - HD2 LYS 45 - HA ILE 37 lone 3 77 - 4 - HB2 LEU 53 - HA LYS 45 lone 3 85 - 3 - HB ILE 40 - HA LYS 45 lone 2 85 - 2 - HD3 LYS 35 - HA LYS 45 lone 2 90 - 2 - HD3 LYS 63 - HA ILE 37 lone 2 57 - 3 - HD2 LYS 61 - HA GLU 58 lone 2 51 - 3 - HD3 LYS 61 - HA GLU 58 lone 2 51 - 3 - HG12 ILE 39 - HA LYS 45 lone 1 98 - 1 - HD3 LYS 94 - HA GLU 58 lone 1 44 - 3 - HD2 LYS 94 - HA GLU 58 lone 1 44 - 3 - HD3 LYS 45 - HA GLU 58 lone 1 70 - 2 - HD2 LYS 45 - HA GLU 58 lone 1 70 - 2 - HD3 LYS 63 - HA GLU 58 lone 1 51 - 3 - HD3 LYS 44 - HA GLU 58 lone 1 53 - 2 - HD2 LYS 44 - HA GLU 58 lone 1 51 - 2 - HB ILE 40 - HA GLU 58 lone 1 53 - 2 - HD3 LYS 35 - HA GLU 58 lone 1 58 - 2 - HB ILE 80 - HA GLU 58 lone 1 53 - 1 - HG12 ILE 39 - HA GLU 58 lone 1 66 - 1 - Peak 2257 from cnoeabs.peaks (8.31, 1.95, 32.57 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 45 + HB2 LYS 45 OK 91 100 - 91 - 4.0=75, 789/1.8=20...(13) H LYS 45 + HB3 LYS 45 OK 91 100 - 91 - 4.0=75, 789/1.8=20...(13) H ASP 32 - HB2 LYS 45 OK 15 100 - 15 - 3.5/5095=3, 2277/3.0=3...(5) H ASP 32 - HB3 LYS 45 OK 15 100 - 15 - 3.5/5095=3, 2277/3.0=3...(5) H GLY 64 - HB3 LYS 45 lone 6 87 - 7 - 2277/3.0=1, 197/4.0=1 H GLY 64 - HB2 LYS 45 lone 6 87 - 7 - 2277/3.0=1, 197/4.0=1 Peak 2258 from cnoeabs.peaks (4.24, 1.95, 32.57 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 * HA LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2259 from cnoeabs.peaks (1.95, 1.95, 32.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 * HB2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 Peak 2260 from cnoeabs.peaks (1.95, 1.95, 32.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 HB2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 Reference assignment not found: HB3 LYS 45 - HB2 LYS 45 Peak 2261 from cnoeabs.peaks (1.51, 1.95, 32.57 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 * HG2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2262 from cnoeabs.peaks (1.40, 1.95, 32.57 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 * HG3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2263 from cnoeabs.peaks (1.70, 1.95, 32.57 ppm; 3.22 A): 4 out of 34 assignments used, quality = 1.00: HD2 LYS 45 + HB3 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(37) * HD2 LYS 45 + HB2 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(37) HD3 LYS 45 + HB3 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(35) HD3 LYS 45 + HB2 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(35) HD3 LYS 44 - HB2 LYS 45 OK 14 81 - 17 - 793/4.0=2, 2253/3.0=1...(4) HD3 LYS 44 - HB3 LYS 45 OK 14 81 - 17 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB3 LYS 45 OK 13 78 - 17 - 793/4.0=1, 2253/3.0=1 HD2 LYS 44 - HB2 LYS 45 OK 13 78 - 17 - 793/4.0=1, 2253/3.0=1 HD2 LYS 61 - HB3 LYS 45 OK 13 78 - 17 - HD2 LYS 61 - HB2 LYS 45 OK 13 78 - 17 - HD3 LYS 61 - HB2 LYS 45 OK 13 78 - 17 - HD3 LYS 61 - HB3 LYS 45 OK 13 78 - 17 - HD2 LYS 94 - HB3 LYS 45 poor 9 68 - 12 - HD2 LYS 94 - HB2 LYS 45 poor 9 68 - 12 - HD3 LYS 94 - HB3 LYS 45 poor 9 68 - 12 - HD3 LYS 94 - HB2 LYS 45 poor 9 68 - 12 - HB ILE 80 - HB2 LYS 45 lone 6 89 - 7 - 2.1/6517=1, 3.0/6513=1 HB ILE 80 - HB3 LYS 45 lone 6 89 - 7 - 2.1/6517=1, 3.0/6513=1 HD3 LYS 63 - HB3 LYS 45 lone 4 78 - 5 - HD3 LYS 63 - HB2 LYS 45 lone 4 78 - 5 - HD2 LYS 77 - HB3 LYS 45 lone 2 100 - 2 - HD2 LYS 77 - HB2 LYS 45 lone 2 100 - 2 - HB ILE 40 - HB2 LYS 45 lone 1 81 - 1 - HB ILE 40 - HB3 LYS 45 lone 1 81 - 1 - HB2 LEU 53 - HB2 LYS 45 lone 1 89 - 1 - HB2 LEU 53 - HB3 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HB3 LYS 45 lone 1 97 - 1 - HG12 ILE 39 - HB2 LYS 45 lone 1 97 - 1 - HG2 ARG 57 - HB3 LYS 45 lone 1 81 - 1 - HG2 ARG 57 - HB2 LYS 45 lone 1 81 - 1 - HD3 LYS 35 - HB3 LYS 45 lone 1 87 - 1 - HD3 LYS 35 - HB2 LYS 45 lone 1 87 - 1 - HG3 ARG 57 - HB2 LYS 45 lone 1 76 - 1 - HG3 ARG 57 - HB3 LYS 45 lone 1 76 - 1 - Peak 2264 from cnoeabs.peaks (1.70, 1.95, 32.57 ppm; 3.37 A): 4 out of 34 assignments used, quality = 1.00: HD2 LYS 45 + HB3 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(39) HD2 LYS 45 + HB2 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(39) HD3 LYS 45 + HB3 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(37) * HD3 LYS 45 + HB2 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(37) HD3 LYS 44 - HB2 LYS 45 OK 16 85 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD3 LYS 44 - HB3 LYS 45 OK 16 85 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB3 LYS 45 OK 15 83 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB2 LYS 45 OK 15 83 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 61 - HB3 LYS 45 OK 15 83 - 18 - HD2 LYS 61 - HB2 LYS 45 OK 15 83 - 18 - HD3 LYS 61 - HB2 LYS 45 OK 15 83 - 18 - HD3 LYS 61 - HB3 LYS 45 OK 15 83 - 18 - HD2 LYS 94 - HB3 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD2 LYS 94 - HB2 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD3 LYS 94 - HB3 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD3 LYS 94 - HB2 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HB ILE 80 - HB2 LYS 45 lone 6 85 - 7 - 2.1/6517=1, 3.0/6513=1, ~6517=1 HB ILE 80 - HB3 LYS 45 lone 6 85 - 7 - 2.1/6517=1, 3.0/6513=1, ~6517=1 HD3 LYS 63 - HB3 LYS 45 lone 5 83 - 6 - HD3 LYS 63 - HB2 LYS 45 lone 5 83 - 6 - HD2 LYS 77 - HB3 LYS 45 lone 2 100 - 2 - HD2 LYS 77 - HB2 LYS 45 lone 2 100 - 2 - HB ILE 40 - HB2 LYS 45 lone 1 85 - 2 - HB ILE 40 - HB3 LYS 45 lone 1 85 - 2 - HB2 LEU 53 - HB2 LYS 45 lone 1 85 - 1 - HB2 LEU 53 - HB3 LYS 45 lone 1 85 - 1 - HG12 ILE 39 - HB3 LYS 45 lone 1 98 - 1 - HG12 ILE 39 - HB2 LYS 45 lone 1 98 - 1 - HG2 ARG 57 - HB3 LYS 45 lone 1 85 - 1 - HG2 ARG 57 - HB2 LYS 45 lone 1 85 - 1 - HG3 ARG 57 - HB3 LYS 45 lone 1 81 - 1 - HG3 ARG 57 - HB2 LYS 45 lone 1 81 - 1 - HD3 LYS 35 - HB2 LYS 45 lone 1 90 - 1 - HD3 LYS 35 - HB3 LYS 45 lone 1 90 - 1 - Peak 2265 from cnoeabs.peaks (2.99, 1.95, 32.57 ppm; 5.01 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 * HE2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 Peak 2266 from cnoeabs.peaks (2.99, 1.95, 32.57 ppm; 5.01 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 Peak 2267 from cnoeabs.peaks (8.31, 1.95, 32.57 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.99: H LYS 45 + HB2 LYS 45 OK 91 100 - 91 - 4.0=75, 789/1.8=20...(13) * H LYS 45 + HB3 LYS 45 OK 91 100 - 91 - 4.0=75, 789/1.8=20...(13) H ASP 32 - HB2 LYS 45 OK 15 100 - 15 - 3.5/5095=3, 2277/3.0=3...(5) H ASP 32 - HB3 LYS 45 OK 15 100 - 15 - 3.5/5095=3, 2277/3.0=3...(5) H GLY 64 - HB3 LYS 45 lone 6 87 - 7 - 2277/3.0=1, 197/4.0=1 H GLY 64 - HB2 LYS 45 lone 6 87 - 7 - 2277/3.0=1, 197/4.0=1 Peak 2268 from cnoeabs.peaks (4.24, 1.95, 32.57 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 HA LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2269 from cnoeabs.peaks (1.95, 1.95, 32.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 HB2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 Reference assignment not found: HB2 LYS 45 - HB3 LYS 45 Peak 2270 from cnoeabs.peaks (1.95, 1.95, 32.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 HB2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 Peak 2271 from cnoeabs.peaks (1.51, 1.95, 32.57 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 HG2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2272 from cnoeabs.peaks (1.40, 1.95, 32.57 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 3.0=100 HG3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2273 from cnoeabs.peaks (1.70, 1.95, 32.57 ppm; 3.22 A): 4 out of 34 assignments used, quality = 1.00: * HD2 LYS 45 + HB3 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(37) HD2 LYS 45 + HB2 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(37) HD3 LYS 45 + HB3 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(35) HD3 LYS 45 + HB2 LYS 45 OK 90 100 - 90 - 3.6=69, 2284/3.0=10...(35) HD3 LYS 44 - HB2 LYS 45 OK 14 81 - 17 - 793/4.0=2, 2253/3.0=1...(4) HD3 LYS 44 - HB3 LYS 45 OK 14 81 - 17 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB3 LYS 45 OK 13 78 - 17 - 793/4.0=1, 2253/3.0=1 HD2 LYS 44 - HB2 LYS 45 OK 13 78 - 17 - 793/4.0=1, 2253/3.0=1 HD2 LYS 61 - HB3 LYS 45 OK 13 78 - 17 - HD2 LYS 61 - HB2 LYS 45 OK 13 78 - 17 - HD3 LYS 61 - HB2 LYS 45 OK 13 78 - 17 - HD3 LYS 61 - HB3 LYS 45 OK 13 78 - 17 - HD2 LYS 94 - HB3 LYS 45 poor 9 68 - 12 - HD2 LYS 94 - HB2 LYS 45 poor 9 68 - 12 - HD3 LYS 94 - HB3 LYS 45 poor 9 68 - 12 - HD3 LYS 94 - HB2 LYS 45 poor 9 68 - 12 - HB ILE 80 - HB2 LYS 45 lone 6 89 - 7 - 2.1/6517=1, 3.0/6513=1 HB ILE 80 - HB3 LYS 45 lone 6 89 - 7 - 2.1/6517=1, 3.0/6513=1 HD3 LYS 63 - HB3 LYS 45 lone 4 78 - 5 - HD3 LYS 63 - HB2 LYS 45 lone 4 78 - 5 - HD2 LYS 77 - HB3 LYS 45 lone 2 100 - 2 - HD2 LYS 77 - HB2 LYS 45 lone 2 100 - 2 - HB ILE 40 - HB2 LYS 45 lone 1 81 - 1 - HB ILE 40 - HB3 LYS 45 lone 1 81 - 1 - HB2 LEU 53 - HB2 LYS 45 lone 1 89 - 1 - HB2 LEU 53 - HB3 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HB3 LYS 45 lone 1 97 - 1 - HG12 ILE 39 - HB2 LYS 45 lone 1 97 - 1 - HG2 ARG 57 - HB3 LYS 45 lone 1 81 - 1 - HG2 ARG 57 - HB2 LYS 45 lone 1 81 - 1 - HD3 LYS 35 - HB3 LYS 45 lone 1 87 - 1 - HD3 LYS 35 - HB2 LYS 45 lone 1 87 - 1 - HG3 ARG 57 - HB2 LYS 45 lone 1 76 - 1 - HG3 ARG 57 - HB3 LYS 45 lone 1 76 - 1 - Peak 2274 from cnoeabs.peaks (1.70, 1.95, 32.57 ppm; 3.37 A): 4 out of 34 assignments used, quality = 1.00: HD2 LYS 45 + HB3 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(39) HD2 LYS 45 + HB2 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(39) * HD3 LYS 45 + HB3 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(37) HD3 LYS 45 + HB2 LYS 45 OK 94 100 - 94 - 3.6=79, 2284/3.0=10...(37) HD3 LYS 44 - HB2 LYS 45 OK 16 85 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD3 LYS 44 - HB3 LYS 45 OK 16 85 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB3 LYS 45 OK 15 83 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 44 - HB2 LYS 45 OK 15 83 - 19 - 793/4.0=2, 2253/3.0=1...(4) HD2 LYS 61 - HB3 LYS 45 OK 15 83 - 18 - HD2 LYS 61 - HB2 LYS 45 OK 15 83 - 18 - HD3 LYS 61 - HB2 LYS 45 OK 15 83 - 18 - HD3 LYS 61 - HB3 LYS 45 OK 15 83 - 18 - HD2 LYS 94 - HB3 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD2 LYS 94 - HB2 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD3 LYS 94 - HB3 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HD3 LYS 94 - HB2 LYS 45 OK 10 73 - 14 - 2284/3.0=1 HB ILE 80 - HB2 LYS 45 lone 6 85 - 7 - 2.1/6517=1, 3.0/6513=1, ~6517=1 HB ILE 80 - HB3 LYS 45 lone 6 85 - 7 - 2.1/6517=1, 3.0/6513=1, ~6517=1 HD3 LYS 63 - HB3 LYS 45 lone 5 83 - 6 - HD3 LYS 63 - HB2 LYS 45 lone 5 83 - 6 - HD2 LYS 77 - HB3 LYS 45 lone 2 100 - 2 - HD2 LYS 77 - HB2 LYS 45 lone 2 100 - 2 - HB ILE 40 - HB2 LYS 45 lone 1 85 - 2 - HB ILE 40 - HB3 LYS 45 lone 1 85 - 2 - HB2 LEU 53 - HB2 LYS 45 lone 1 85 - 1 - HB2 LEU 53 - HB3 LYS 45 lone 1 85 - 1 - HG12 ILE 39 - HB3 LYS 45 lone 1 98 - 1 - HG12 ILE 39 - HB2 LYS 45 lone 1 98 - 1 - HG2 ARG 57 - HB3 LYS 45 lone 1 85 - 1 - HG2 ARG 57 - HB2 LYS 45 lone 1 85 - 1 - HG3 ARG 57 - HB3 LYS 45 lone 1 81 - 1 - HG3 ARG 57 - HB2 LYS 45 lone 1 81 - 1 - HD3 LYS 35 - HB2 LYS 45 lone 1 90 - 1 - HD3 LYS 35 - HB3 LYS 45 lone 1 90 - 1 - Peak 2275 from cnoeabs.peaks (2.99, 1.95, 32.57 ppm; 5.01 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 * HE2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 Peak 2276 from cnoeabs.peaks (2.99, 1.95, 32.57 ppm; 5.01 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 * HE3 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB2 LYS 45 OK 100 100 - 100 - 5.0=100 HE2 LYS 45 + HB3 LYS 45 OK 100 100 - 100 - 5.0=100 Peak 2277 from cnoeabs.peaks (8.31, 1.51, 25.03 ppm; 4.78 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 45 + HG2 LYS 45 OK 99 100 - 99 - 4.9=94, 791/1.8=22...(16) H ASP 32 - HG2 LYS 45 OK 22 100 - 22 - 2287/1.8=4, 2267/3.0=3...(8) H ASP 32 - HG3 LYS 41 OK 15 86 - 18 - 111/3.0=3, 2287/1.8=3...(8) H GLY 64 - HG2 LYS 45 OK 12 87 - 13 - 2287/1.8=2, 291=2...(4) H LYS 45 - HG3 LYS 41 poor 10 86 - 11 - 790=3, 791/1.8=2, 4.6/4186=2 H GLY 64 - HG3 LYS 41 lone 4 69 - 6 - ~7084=1 Peak 2278 from cnoeabs.peaks (4.24, 1.51, 25.03 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.8=100 Peak 2279 from cnoeabs.peaks (1.95, 1.51, 25.03 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.0=100 * HB2 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2280 from cnoeabs.peaks (1.95, 1.51, 25.03 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.0=100 HB2 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2281 from cnoeabs.peaks (1.51, 1.51, 25.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 45 + HG2 LYS 45 OK 100 100 - 100 HG3 LYS 41 + HG3 LYS 41 OK 83 83 - 100 Peak 2282 from cnoeabs.peaks (1.40, 1.51, 25.03 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 1.8=100 HG2 LYS 41 + HG3 LYS 41 OK 85 85 - 100 - 1.8=100 Peak 2283 from cnoeabs.peaks (1.70, 1.51, 25.03 ppm; 2.77 A): 2 out of 34 assignments used, quality = 1.00: * HD2 LYS 45 + HG2 LYS 45 OK 93 100 - 93 - 2.9=86, 1.8/2301=8...(26) HD3 LYS 45 + HG2 LYS 45 OK 93 100 - 93 - 2.9=86, 1.8/2301=8...(26) HB ILE 40 - HG3 LYS 41 OK 13 63 - 20 - 4.5/771=6, ~5432=3...(6) HD3 LYS 44 - HG2 LYS 45 OK 10 81 - 13 - HD2 LYS 44 - HG2 LYS 45 poor 10 78 - 13 - HD2 LYS 94 - HG2 LYS 45 poor 9 68 - 14 - 3.4/3858=1, 3.4/3868=1 HD3 LYS 94 - HG2 LYS 45 poor 9 68 - 14 - 3.4/3858=1, 3.4/3868=1 HD3 LYS 61 - HG2 LYS 45 poor 9 78 - 11 - HD2 LYS 61 - HG2 LYS 45 poor 9 78 - 11 - HD2 LYS 45 - HG3 LYS 41 lone 4 86 - 5 - HD3 LYS 45 - HG3 LYS 41 lone 4 86 - 5 - HD3 LYS 61 - HG3 LYS 41 lone 4 61 - 6 - HD2 LYS 61 - HG3 LYS 41 lone 4 61 - 6 - HD3 LYS 63 - HG2 LYS 45 lone 3 78 - 4 - HD3 LYS 94 - HG3 LYS 41 lone 3 52 - 5 - HD2 LYS 94 - HG3 LYS 41 lone 3 52 - 5 - HB ILE 80 - HG2 LYS 45 lone 2 89 - 2 - HB ILE 40 - HG2 LYS 45 lone 2 81 - 3 - 4.5/771=2 HD3 LYS 44 - HG3 LYS 41 lone 2 63 - 3 - HD2 LYS 44 - HG3 LYS 41 lone 2 61 - 3 - HG12 ILE 39 - HG3 LYS 41 lone 1 79 - 2 - HD2 LYS 77 - HG2 LYS 45 lone 1 100 - 1 - HB2 LEU 53 - HG2 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HG2 LYS 45 lone 1 97 - 1 - HD2 LYS 77 - HG3 LYS 41 lone 1 86 - 1 - HD3 LYS 35 - HG2 LYS 45 lone 1 87 - 1 - HB ILE 80 - HG3 LYS 41 lone 1 70 - 1 - HG2 ARG 57 - HG2 LYS 45 lone 1 81 - 1 - HG3 ARG 57 - HG2 LYS 45 lone 1 76 - 1 - HD3 LYS 35 - HG3 LYS 41 lone 0 69 - 1 - HB2 LEU 53 - HG3 LYS 41 lone 0 70 - 1 - HD3 LYS 63 - HG3 LYS 41 lone 0 61 - 1 - HG2 ARG 57 - HG3 LYS 41 lone 0 63 - 0 - HG3 ARG 57 - HG3 LYS 41 lone 0 59 - 0 - Peak 2284 from cnoeabs.peaks (1.70, 1.51, 25.03 ppm; 2.62 A): 2 out of 34 assignments used, quality = 0.98: HD2 LYS 45 + HG2 LYS 45 OK 86 100 - 86 - 2.9=72, 1.8/2301=7...(26) * HD3 LYS 45 + HG2 LYS 45 OK 86 100 - 86 - 2.9=72, 1.8/2301=7...(26) HB ILE 40 - HG3 LYS 41 OK 12 67 - 18 - 4.5/771=5, ~5432=3...(5) HD3 LYS 44 - HG2 LYS 45 poor 10 85 - 11 - HD2 LYS 44 - HG2 LYS 45 poor 9 83 - 11 - HD3 LYS 94 - HG2 LYS 45 poor 9 73 - 12 - 3.4/3858=1, 3.4/3868=1 HD2 LYS 94 - HG2 LYS 45 poor 9 73 - 12 - 3.4/3858=1, 3.4/3868=1 HD3 LYS 61 - HG2 LYS 45 lone 8 83 - 10 - HD2 LYS 61 - HG2 LYS 45 lone 8 83 - 10 - HD3 LYS 45 - HG3 LYS 41 lone 4 86 - 5 - HD2 LYS 45 - HG3 LYS 41 lone 4 86 - 5 - HD3 LYS 61 - HG3 LYS 41 lone 3 65 - 5 - HD2 LYS 61 - HG3 LYS 41 lone 3 65 - 5 - HD3 LYS 63 - HG2 LYS 45 lone 3 83 - 3 - HD2 LYS 94 - HG3 LYS 41 lone 3 56 - 4 - HD3 LYS 94 - HG3 LYS 41 lone 3 56 - 4 - HB ILE 40 - HG2 LYS 45 lone 2 85 - 2 - 4.5/771=1 HB ILE 80 - HG2 LYS 45 lone 2 85 - 2 - HD3 LYS 44 - HG3 LYS 41 lone 2 67 - 2 - HD2 LYS 44 - HG3 LYS 41 lone 2 65 - 2 - HG12 ILE 39 - HG3 LYS 41 lone 1 82 - 2 - HD2 LYS 77 - HG2 LYS 45 lone 1 100 - 1 - HB2 LEU 53 - HG2 LYS 45 lone 1 85 - 1 - HG12 ILE 39 - HG2 LYS 45 lone 1 98 - 1 - HD3 LYS 35 - HG2 LYS 45 lone 1 90 - 1 - HD2 LYS 77 - HG3 LYS 41 lone 1 86 - 1 - HB ILE 80 - HG3 LYS 41 lone 1 67 - 1 - HG2 ARG 57 - HG2 LYS 45 lone 1 85 - 1 - HG3 ARG 57 - HG2 LYS 45 lone 1 81 - 1 - HD3 LYS 35 - HG3 LYS 41 lone 0 72 - 1 - HD3 LYS 63 - HG3 LYS 41 lone 0 65 - 1 - HB2 LEU 53 - HG3 LYS 41 lone 0 67 - 0 - HG2 ARG 57 - HG3 LYS 41 lone 0 67 - 0 - HG3 ARG 57 - HG3 LYS 41 lone 0 63 - 0 - Peak 2285 from cnoeabs.peaks (2.99, 1.51, 25.03 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.5=100 * HE2 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.5=100 Peak 2286 from cnoeabs.peaks (2.99, 1.51, 25.03 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.5=100 HE2 LYS 45 + HG2 LYS 45 OK 100 100 - 100 - 3.5=100 Peak 2287 from cnoeabs.peaks (8.31, 1.40, 25.03 ppm; 4.80 A): 1 out of 12 assignments used, quality = 0.99: * H LYS 45 + HG3 LYS 45 OK 99 100 - 99 - 4.9=95, 790/1.8=29...(15) H LYS 45 - HG2 LYS 61 OK 25 76 - 34 - 791=6, 791/1.8=6...(12) H LYS 45 - HG3 LYS 61 OK 24 74 - 34 - 791=6, 791/1.8=6...(12) H ASP 32 - HG3 LYS 45 OK 23 100 - 23 - 2277/1.8=5, 2267/3.0=3...(7) H ASP 32 - HG2 LYS 41 OK 17 88 - 19 - 2277/1.8=4, 111/3.0=3...(8) H GLY 64 - HG3 LYS 45 OK 12 87 - 13 - 2277/1.8=3, 2267/3.0=1...(4) H GLY 64 - HG2 LYS 61 OK 11 60 - 19 - 5983/3.9=4, 292/1.8=2...(5) H GLY 64 - HG3 LYS 61 OK 11 57 - 19 - 5983/3.9=4, 293/1.8=2...(5) H LYS 45 - HG2 LYS 41 poor 9 88 - 10 - 790/1.8=3, 791=2...(4) H GLY 64 - HG2 LYS 41 lone 5 70 - 6 - ~7084=1, 2277/1.8=1 H ASP 32 - HG2 LYS 61 lone 4 76 - 5 - H ASP 32 - HG3 LYS 61 lone 4 74 - 5 - Peak 2288 from cnoeabs.peaks (4.24, 1.40, 25.03 ppm; 3.76 A): 1 out of 32 assignments used, quality = 0.98: * HA LYS 45 + HG3 LYS 45 OK 98 100 - 98 - 3.8=96, 3.0/791=12...(25) HA LYS 45 - HG2 LYS 61 OK 18 76 - 23 - 2252=4, 3.0/791=3...(7) HA LYS 45 - HG3 LYS 61 OK 17 74 - 23 - 2252=4, 3.0/791=3...(7) HA LYS 63 - HG2 LYS 61 OK 11 43 - 26 - ~885=2, ~884=2...(12) HA LYS 63 - HG3 LYS 61 OK 10 41 - 26 - ~885=2, ~884=2...(12) HA ALA 79 - HG2 LYS 41 poor 9 58 - 16 - 3.0/361=3, 2.1/6473=2...(7) HA ILE 37 - HG2 LYS 61 poor 7 60 - 13 - 3.2/7159=3, 4.2/7158=1...(5) HA ILE 37 - HG3 LYS 61 poor 7 57 - 12 - 3.2/7159=3, ~7159=1...(5) HA ILE 37 - HG2 LYS 41 lone 7 70 - 9 - 3.2/7159=3, 4.2/7158=3, 2252=1 HA3 GLY 85 - HG3 LYS 45 lone 7 85 - 8 - ~6646=1, ~6652=1...(4) HA3 GLY 64 - HG3 LYS 45 lone 6 100 - 6 - ~2277=1 HA3 GLY 64 - HG2 LYS 61 lone 6 76 - 8 - HA3 GLY 64 - HG3 LYS 61 lone 6 73 - 8 - HA LYS 45 - HG2 LYS 41 lone 6 88 - 6 - 2252=1, 3.0/791=1, ~790=1 HA VAL 68 - HG2 LYS 41 lone 5 87 - 6 - 6119/3.0=1 HA LYS 63 - HG3 LYS 45 lone 5 65 - 8 - HA ALA 79 - HG3 LYS 45 lone 4 73 - 5 - 3.0/361=1 HA3 GLY 64 - HG2 LYS 41 lone 4 87 - 4 - ~7084=1 HA ILE 37 - HG3 LYS 45 lone 3 87 - 4 - 4.2/7158=1 HA3 GLY 85 - HG2 LYS 41 lone 3 69 - 5 - HA ALA 79 - HG2 LYS 61 lone 3 49 - 6 - 3.0/361=1 HA ALA 79 - HG3 LYS 61 lone 3 47 - 6 - 3.0/361=1 HA VAL 68 - HG2 LYS 61 lone 2 76 - 2 - HA VAL 68 - HG3 LYS 61 lone 2 73 - 2 - HA GLU 58 - HG2 LYS 41 lone 2 64 - 2 - HA3 GLY 85 - HG2 LYS 61 lone 2 58 - 3 - HA3 GLY 85 - HG3 LYS 61 lone 1 56 - 3 - HA VAL 68 - HG3 LYS 45 lone 1 100 - 1 - HA GLU 58 - HG3 LYS 45 lone 1 81 - 1 - HA GLU 58 - HG2 LYS 61 lone 1 55 - 2 - HA GLU 58 - HG3 LYS 61 lone 1 52 - 2 - HA LYS 63 - HG2 LYS 41 lone 1 51 - 2 - Peak 2289 from cnoeabs.peaks (1.95, 1.40, 25.03 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 45 + HG3 LYS 45 OK 100 100 - 100 - 3.0=100 * HB2 LYS 45 + HG3 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2290 from cnoeabs.peaks (1.95, 1.40, 25.03 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 45 + HG3 LYS 45 OK 100 100 - 100 - 3.0=100 HB2 LYS 45 + HG3 LYS 45 OK 100 100 - 100 - 3.0=100 Peak 2291 from cnoeabs.peaks (1.51, 1.40, 25.03 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 45 + HG3 LYS 45 OK 100 100 - 100 - 1.8=100 HG3 LYS 41 + HG2 LYS 41 OK 85 85 - 100 - 1.8=100 Peak 2292 from cnoeabs.peaks (1.40, 1.40, 25.03 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 45 + HG3 LYS 45 OK 100 100 - 100 HG2 LYS 41 + HG2 LYS 41 OK 86 86 - 100 HG2 LYS 61 + HG2 LYS 61 OK 60 60 - 100 HG3 LYS 61 + HG3 LYS 61 OK 56 56 - 100 Peak 2293 from cnoeabs.peaks (1.70, 1.40, 25.03 ppm; 2.81 A): 6 out of 68 assignments used, quality = 1.00: * HD2 LYS 45 + HG3 LYS 45 OK 95 100 - 95 - 2.9=89, 2284/1.8=11...(23) HD3 LYS 45 + HG3 LYS 45 OK 95 100 - 95 - 2.9=89, 2284/1.8=11...(21) HD3 LYS 61 + HG2 LYS 61 OK 49 53 - 93 - 3.0=85, 2.9/2322=2...(32) HD2 LYS 61 + HG2 LYS 61 OK 49 53 - 93 - 3.0=85, 2.9/2332=2...(32) HD2 LYS 61 + HG3 LYS 61 OK 47 50 - 93 - 3.0=85, 2.9/2322=2...(32) HD3 LYS 61 + HG3 LYS 61 OK 47 50 - 93 - 3.0=85, 2.9/2322=2...(32) HB ILE 40 - HG2 LYS 41 OK 12 64 - 19 - 4.5/770=5, ~5432=3...(7) HD3 LYS 44 - HG3 LYS 45 OK 10 81 - 13 - 2284/1.8=1 HD2 LYS 44 - HG3 LYS 45 OK 10 78 - 13 - 2284/1.8=1 HD3 LYS 61 - HG3 LYS 45 poor 9 78 - 11 - 2284/1.8=1 HD2 LYS 61 - HG3 LYS 45 poor 9 78 - 11 - 2284/1.8=1 HD2 LYS 94 - HG3 LYS 45 poor 8 68 - 12 - 2284/1.8=1 HD3 LYS 94 - HG3 LYS 45 poor 8 68 - 12 - 2284/1.8=1 HD3 LYS 44 - HG2 LYS 61 poor 8 55 - 15 - HD3 LYS 63 - HG2 LYS 61 poor 8 53 - 15 - ~2941=1, ~2940=1 HD2 LYS 44 - HG2 LYS 61 poor 8 53 - 15 - HD3 LYS 44 - HG3 LYS 61 poor 8 52 - 15 - HD3 LYS 63 - HG3 LYS 61 poor 7 50 - 14 - ~2941=1, ~2940=1 HD2 LYS 44 - HG3 LYS 61 poor 7 50 - 15 - HD2 LYS 45 - HG2 LYS 61 lone 7 76 - 9 - HD3 LYS 45 - HG2 LYS 61 lone 7 76 - 9 - HD2 LYS 45 - HG3 LYS 61 lone 7 74 - 9 - HD3 LYS 45 - HG3 LYS 61 lone 7 73 - 9 - HD2 LYS 45 - HG2 LYS 41 lone 5 88 - 5 - HD3 LYS 45 - HG2 LYS 41 lone 5 87 - 5 - HD2 LYS 61 - HG2 LYS 41 lone 4 62 - 6 - HD3 LYS 61 - HG2 LYS 41 lone 4 62 - 6 - HD3 LYS 94 - HG2 LYS 61 lone 4 45 - 9 - HD2 LYS 94 - HG2 LYS 61 lone 4 45 - 9 - HD2 LYS 94 - HG3 LYS 61 lone 4 43 - 9 - HD3 LYS 94 - HG3 LYS 61 lone 4 43 - 9 - HD3 LYS 35 - HG2 LYS 61 lone 3 60 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 3 57 - 6 - HD3 LYS 63 - HG3 LYS 45 lone 3 78 - 3 - HB ILE 80 - HG3 LYS 45 lone 3 89 - 3 - HD3 LYS 94 - HG2 LYS 41 lone 2 53 - 4 - HD2 LYS 94 - HG2 LYS 41 lone 2 53 - 4 - HB ILE 40 - HG3 LYS 45 lone 2 81 - 3 - 4.5/770=2 HD2 LYS 77 - HG3 LYS 45 lone 2 100 - 2 - HD3 LYS 44 - HG2 LYS 41 lone 2 64 - 3 - HD2 LYS 44 - HG2 LYS 41 lone 2 62 - 3 - HG12 ILE 39 - HG2 LYS 41 lone 2 81 - 2 - HD2 LYS 77 - HG2 LYS 41 lone 1 88 - 1 - HD2 LYS 77 - HG2 LYS 61 lone 1 76 - 2 - HB2 LEU 53 - HG3 LYS 45 lone 1 89 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 74 - 2 - HB ILE 80 - HG2 LYS 41 lone 1 72 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 1 97 - 1 - HD3 LYS 35 - HG3 LYS 45 lone 1 87 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 55 - 1 - HD3 LYS 35 - HG2 LYS 41 lone 1 70 - 1 - HB2 LEU 53 - HG2 LYS 61 lone 1 62 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 52 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 1 81 - 1 - HB2 LEU 53 - HG3 LYS 61 lone 1 59 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 70 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 1 76 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 67 - 1 - HB2 LEU 53 - HG2 LYS 41 lone 1 72 - 1 - HB ILE 80 - HG2 LYS 61 lone 0 62 - 1 - HB ILE 80 - HG3 LYS 61 lone 0 59 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 62 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 0 55 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 0 52 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 0 51 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 0 48 - 1 - HG2 ARG 57 - HG2 LYS 41 lone 0 64 - 0 - HG3 ARG 57 - HG2 LYS 41 lone 0 60 - 0 - Peak 2294 from cnoeabs.peaks (1.70, 1.40, 25.03 ppm; 2.54 A): 2 out of 68 assignments used, quality = 0.97: HD2 LYS 45 + HG3 LYS 45 OK 82 100 - 82 - 2.9=66, 2284/1.8=9...(21) * HD3 LYS 45 + HG3 LYS 45 OK 82 100 - 82 - 2.9=66, 2284/1.8=9...(19) HD3 LYS 61 - HG2 LYS 61 OK 44 56 - 78 - 3.0=63, 1.8/2302=2...(17) HD2 LYS 61 - HG2 LYS 61 OK 44 56 - 78 - 3.0=63, 1.8/2302=2...(17) HD2 LYS 61 - HG3 LYS 61 OK 42 54 - 78 - 3.0=63, 2302/1.8=2...(18) HD3 LYS 61 - HG3 LYS 61 OK 42 54 - 78 - 3.0=63, 2302/1.8=2...(18) HB ILE 40 - HG2 LYS 41 OK 10 69 - 15 - 4.5/770=4, ~5432=2...(6) HD3 LYS 44 - HG3 LYS 45 poor 8 85 - 10 - 2284/1.8=1 HD2 LYS 44 - HG3 LYS 45 poor 8 83 - 10 - HD2 LYS 61 - HG3 LYS 45 lone 7 83 - 9 - HD3 LYS 61 - HG3 LYS 45 lone 7 83 - 9 - HD3 LYS 44 - HG2 LYS 61 poor 7 58 - 12 - HD3 LYS 63 - HG2 LYS 61 poor 6 56 - 11 - HD2 LYS 44 - HG2 LYS 61 poor 6 56 - 12 - HD3 LYS 94 - HG3 LYS 45 lone 6 73 - 9 - HD2 LYS 94 - HG3 LYS 45 lone 6 73 - 9 - HD3 LYS 44 - HG3 LYS 61 poor 6 56 - 12 - HD2 LYS 44 - HG3 LYS 61 poor 6 54 - 12 - HD3 LYS 63 - HG3 LYS 61 poor 6 54 - 11 - HD2 LYS 45 - HG2 LYS 61 lone 5 76 - 7 - HD3 LYS 45 - HG2 LYS 61 lone 5 76 - 7 - HD2 LYS 45 - HG3 LYS 61 lone 5 73 - 7 - HD3 LYS 45 - HG3 LYS 61 lone 5 74 - 7 - HD2 LYS 45 - HG2 LYS 41 lone 4 87 - 4 - HD3 LYS 45 - HG2 LYS 41 lone 4 88 - 4 - HD2 LYS 94 - HG2 LYS 61 lone 3 49 - 7 - HD3 LYS 94 - HG2 LYS 61 lone 3 49 - 7 - HD2 LYS 94 - HG3 LYS 61 lone 3 47 - 7 - HD3 LYS 94 - HG3 LYS 61 lone 3 47 - 7 - HD2 LYS 61 - HG2 LYS 41 lone 3 67 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 3 67 - 4 - HD3 LYS 35 - HG2 LYS 61 lone 3 63 - 4 - HD3 LYS 35 - HG3 LYS 61 lone 3 61 - 4 - HD3 LYS 63 - HG3 LYS 45 lone 2 83 - 2 - HD3 LYS 94 - HG2 LYS 41 lone 2 58 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 2 58 - 3 - HB ILE 80 - HG3 LYS 45 lone 2 85 - 2 - HB ILE 40 - HG3 LYS 45 lone 2 85 - 2 - 4.5/770=1 HD3 LYS 44 - HG2 LYS 41 lone 2 69 - 2 - HD2 LYS 44 - HG2 LYS 41 lone 1 67 - 2 - HD2 LYS 77 - HG3 LYS 45 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 41 lone 1 83 - 2 - HD2 LYS 77 - HG2 LYS 41 lone 1 88 - 1 - HD2 LYS 77 - HG2 LYS 61 lone 1 76 - 1 - HB2 LEU 53 - HG3 LYS 45 lone 1 85 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 74 - 1 - HB ILE 80 - HG2 LYS 41 lone 1 69 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 1 98 - 1 - HD3 LYS 35 - HG3 LYS 45 lone 1 90 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 58 - 1 - HD3 LYS 35 - HG2 LYS 41 lone 1 74 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 1 85 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 56 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 81 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 0 72 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 0 69 - 1 - HB2 LEU 53 - HG2 LYS 61 lone 0 58 - 1 - HB2 LEU 53 - HG2 LYS 41 lone 0 69 - 1 - HB2 LEU 53 - HG3 LYS 61 lone 0 56 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 67 - 1 - HB ILE 80 - HG2 LYS 61 lone 0 58 - 1 - HB ILE 80 - HG3 LYS 61 lone 0 56 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 0 58 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 0 56 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 0 55 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 0 52 - 1 - HG2 ARG 57 - HG2 LYS 41 lone 0 69 - 0 - HG3 ARG 57 - HG2 LYS 41 lone 0 64 - 0 - Peak 2295 from cnoeabs.peaks (2.99, 1.40, 25.03 ppm; 3.18 A): 4 out of 44 assignments used, quality = 1.00: * HE2 LYS 45 + HG3 LYS 45 OK 89 100 - 89 - 3.5=74, 1.8/2322=6...(39) HE3 LYS 45 + HG3 LYS 45 OK 89 100 - 89 - 3.5=74, 1.8/2322=6...(39) HE3 LYS 61 + HG2 LYS 61 OK 58 72 - 81 - 3.9=54, 2322/1.8=4...(34) HE3 LYS 61 + HG3 LYS 61 OK 56 69 - 81 - 3.9=54, 2322/1.8=4...(35) HE3 LYS 63 - HG2 LYS 61 OK 13 65 - 21 - 2332=1, 2783/3.0=1, 2773/3.0=1 HE2 LYS 63 - HG2 LYS 61 OK 13 63 - 21 - 2322=1 HE3 LYS 63 - HG3 LYS 61 OK 13 62 - 21 - 2783/3.0=1, 2322=1, 2773/3.0=1 HE2 LYS 63 - HG3 LYS 61 OK 12 61 - 21 - HE2 LYS 44 - HG2 LYS 61 OK 11 51 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 45 - HG2 LYS 61 OK 10 76 - 13 - 2322=1 HE3 LYS 45 - HG2 LYS 61 OK 10 76 - 13 - 2322=1 HE3 LYS 44 - HG2 LYS 61 OK 10 49 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 44 - HG3 LYS 61 OK 10 48 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 45 - HG3 LYS 61 poor 10 74 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 10 74 - 13 - HE3 LYS 44 - HG3 LYS 61 poor 10 47 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE3 LYS 61 - HG3 LYS 45 lone 9 98 - 10 - HE2 LYS 44 - HG3 LYS 45 poor 8 76 - 11 - HE3 LYS 44 - HG3 LYS 45 poor 8 73 - 11 - HE2 LYS 94 - HG3 LYS 45 lone 8 93 - 8 - HE3 LYS 94 - HG3 LYS 45 lone 7 87 - 8 - HE3 LYS 61 - HG2 LYS 41 lone 7 83 - 8 - ~2064=1 HE2 LYS 94 - HG2 LYS 61 lone 6 66 - 9 - HE2 LYS 94 - HG3 LYS 61 lone 6 64 - 9 - HE3 LYS 94 - HG2 LYS 61 lone 6 60 - 9 - HE3 LYS 63 - HG3 LYS 45 lone 6 92 - 6 - HE2 LYS 63 - HG3 LYS 45 lone 5 90 - 6 - HE3 LYS 94 - HG3 LYS 61 lone 5 57 - 9 - HE2 LYS 35 - HG2 LYS 61 poor 5 45 - 12 - HE3 LYS 35 - HG2 LYS 61 poor 5 45 - 12 - HE3 LYS 35 - HG3 LYS 61 poor 5 43 - 12 - HE2 LYS 35 - HG3 LYS 61 poor 5 43 - 12 - HE2 LYS 45 - HG2 LYS 41 lone 3 88 - 4 - HE3 LYS 45 - HG2 LYS 41 lone 3 88 - 4 - HE2 LYS 94 - HG2 LYS 41 lone 2 77 - 2 - HE3 LYS 94 - HG2 LYS 41 lone 2 70 - 2 - HE2 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 58 - 2 - HE2 LYS 35 - HG3 LYS 45 lone 1 68 - 1 - HE3 LYS 35 - HG3 LYS 45 lone 1 68 - 1 - HE3 LYS 63 - HG2 LYS 41 lone 1 76 - 1 - HE2 LYS 63 - HG2 LYS 41 lone 1 74 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - Peak 2296 from cnoeabs.peaks (2.99, 1.40, 25.03 ppm; 3.18 A): 4 out of 44 assignments used, quality = 1.00: HE2 LYS 45 + HG3 LYS 45 OK 89 100 - 89 - 3.5=74, 1.8/2322=6...(39) * HE3 LYS 45 + HG3 LYS 45 OK 89 100 - 89 - 3.5=74, 1.8/2322=6...(39) HE3 LYS 61 + HG2 LYS 61 OK 58 72 - 81 - 3.9=54, 2322/1.8=4...(34) HE3 LYS 61 + HG3 LYS 61 OK 56 69 - 81 - 3.9=54, 2322/1.8=4...(35) HE3 LYS 63 - HG2 LYS 61 OK 13 65 - 21 - 2332=1, 2783/3.0=1, 2773/3.0=1 HE2 LYS 63 - HG2 LYS 61 OK 13 63 - 21 - 2322=1 HE3 LYS 63 - HG3 LYS 61 OK 13 62 - 21 - 2783/3.0=1, 2322=1, 2773/3.0=1 HE2 LYS 63 - HG3 LYS 61 OK 12 61 - 21 - HE2 LYS 44 - HG2 LYS 61 OK 11 51 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 45 - HG2 LYS 61 OK 10 76 - 13 - 2322=1 HE3 LYS 45 - HG2 LYS 61 OK 10 76 - 13 - 2322=1 HE3 LYS 44 - HG2 LYS 61 OK 10 49 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 44 - HG3 LYS 61 OK 10 48 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE2 LYS 45 - HG3 LYS 61 poor 10 74 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 10 74 - 13 - HE3 LYS 44 - HG3 LYS 61 poor 10 47 - 21 - 2773/3.0=1, 2783/3.0=1...(4) HE3 LYS 61 - HG3 LYS 45 lone 9 98 - 10 - HE2 LYS 44 - HG3 LYS 45 poor 8 76 - 11 - HE3 LYS 44 - HG3 LYS 45 poor 8 73 - 11 - HE2 LYS 94 - HG3 LYS 45 lone 8 93 - 8 - HE3 LYS 94 - HG3 LYS 45 lone 7 87 - 8 - HE3 LYS 61 - HG2 LYS 41 lone 7 83 - 8 - ~2064=1 HE2 LYS 94 - HG2 LYS 61 lone 6 66 - 9 - HE2 LYS 94 - HG3 LYS 61 lone 6 64 - 9 - HE3 LYS 94 - HG2 LYS 61 lone 6 60 - 9 - HE3 LYS 63 - HG3 LYS 45 lone 6 92 - 6 - HE2 LYS 63 - HG3 LYS 45 lone 5 90 - 6 - HE3 LYS 94 - HG3 LYS 61 lone 5 57 - 9 - HE2 LYS 35 - HG2 LYS 61 poor 5 45 - 12 - HE3 LYS 35 - HG2 LYS 61 poor 5 45 - 12 - HE3 LYS 35 - HG3 LYS 61 poor 5 43 - 12 - HE2 LYS 35 - HG3 LYS 61 poor 5 43 - 12 - HE2 LYS 45 - HG2 LYS 41 lone 3 88 - 4 - HE3 LYS 45 - HG2 LYS 41 lone 3 88 - 4 - HE2 LYS 94 - HG2 LYS 41 lone 2 77 - 2 - HE3 LYS 94 - HG2 LYS 41 lone 2 70 - 2 - HE2 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 58 - 2 - HE2 LYS 35 - HG3 LYS 45 lone 1 68 - 1 - HE3 LYS 35 - HG3 LYS 45 lone 1 68 - 1 - HE3 LYS 63 - HG2 LYS 41 lone 1 76 - 1 - HE2 LYS 63 - HG2 LYS 41 lone 1 74 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - Peak 2298 from cnoeabs.peaks (4.24, 1.70, 28.54 ppm; 4.25 A): 2 out of 64 assignments used, quality = 0.99: * HA LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 5.1=57, 2252/2.9=14...(35) HA LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 5.1=57, 2252/2.9=14...(35) HA LYS 45 - HD3 LYS 44 OK 27 69 - 39 - ~192=10, 3.0/793=3...(15) HA LYS 45 - HD2 LYS 44 OK 26 66 - 39 - ~192=10, 3.0/793=3...(15) HA LYS 63 - HD3 LYS 63 OK 25 27 - 92 - 5.0=61, ~2912=15...(29) HA LYS 45 - HD2 LYS 61 OK 18 58 - 31 - 2252/3.0=3, 2252/3.0=3...(13) HA LYS 45 - HD3 LYS 61 OK 18 58 - 31 - 2252/3.0=3, 2252/3.0=3...(13) HA LYS 63 - HD2 LYS 45 OK 14 65 - 21 - 3.0/2903=1, 3.0/2913=1...(10) HA LYS 63 - HD3 LYS 45 OK 13 65 - 20 - 3.0/2903=1, 3.0/2913=1...(10) HA LYS 63 - HD2 LYS 77 OK 13 65 - 20 - 2892/3.0=3, 2892/3.0=3...(9) HA3 GLY 64 - HD3 LYS 63 OK 12 50 - 25 - 5986/3.9=5, ~293=3...(9) HA LYS 63 - HD3 LYS 61 OK 11 31 - 37 - 3.0/2903=2, 3.0/887=2...(15) HA LYS 63 - HD2 LYS 61 OK 11 31 - 37 - 3.0/2903=2, 3.0/887=2...(15) HA ILE 37 - HD2 LYS 61 poor 8 44 - 19 - ~5286=2, ~5269=2...(9) HA ILE 37 - HD3 LYS 61 poor 8 44 - 19 - ~5286=2, ~5269=2...(9) HA3 GLY 64 - HD2 LYS 45 lone 8 100 - 8 - ~2277=1 HA3 GLY 64 - HD3 LYS 45 lone 8 100 - 8 - ~2277=1 HA3 GLY 64 - HD3 LYS 61 poor 7 57 - 12 - 4.9/2893=1 HA3 GLY 64 - HD2 LYS 61 poor 7 57 - 12 - 4.9/2893=1 HA ALA 79 - HD2 LYS 77 lone 6 73 - 8 - 3.6/956=3, ~6472=1 HA ILE 37 - HD2 LYS 77 lone 6 87 - 6 - 3.6/6407=2, ~5286=1 HA3 GLY 64 - HD2 LYS 77 lone 5 100 - 5 - 5985/3.7=1, 5986/1.8=1 HA3 GLY 85 - HD3 LYS 45 lone 5 85 - 6 - ~6652=1, ~6648=1, 6655/2.9=1 HA3 GLY 85 - HD2 LYS 45 lone 5 85 - 6 - ~6652=1, ~6648=1, 6655/2.9=1 HA GLU 58 - HD2 LYS 77 lone 5 81 - 6 - ~5898=2 HA LYS 45 - HD2 LYS 77 lone 4 100 - 4 - HA ILE 37 - HD3 LYS 44 lone 4 54 - 8 - 3.6/6407=1 HA LYS 45 - HD3 LYS 63 lone 4 51 - 8 - HA ILE 37 - HD2 LYS 44 lone 4 51 - 8 - 3.6/6407=1 HA ILE 37 - HD2 LYS 45 lone 3 87 - 4 - HA ILE 37 - HD3 LYS 45 lone 3 87 - 4 - HA LYS 63 - HD3 LYS 44 lone 3 38 - 8 - HA3 GLY 64 - HD3 LYS 44 lone 3 68 - 4 - HA LYS 63 - HD2 LYS 44 lone 3 36 - 8 - HA3 GLY 64 - HD2 LYS 44 lone 3 65 - 4 - HA ALA 79 - HD2 LYS 45 lone 3 73 - 4 - HA ALA 79 - HD3 LYS 45 lone 3 73 - 4 - HA3 GLY 85 - HD3 LYS 44 lone 2 52 - 4 - 6654/3.8=1 HA3 GLY 85 - HD2 LYS 44 lone 2 49 - 4 - 6654/3.8=1 HA ALA 79 - HD2 LYS 61 lone 2 35 - 5 - HA ALA 79 - HD3 LYS 61 lone 2 35 - 5 - HA VAL 68 - HD3 LYS 63 lone 2 51 - 4 - HA3 GLY 85 - HD3 LYS 63 lone 2 37 - 5 - 2937/1.8=1 HA3 GLY 85 - HD2 LYS 77 lone 2 85 - 2 - HA GLU 58 - HD2 LYS 45 lone 2 81 - 2 - HA GLU 58 - HD3 LYS 45 lone 2 80 - 2 - HA VAL 68 - HD3 LYS 45 lone 2 100 - 2 - HA ALA 79 - HD3 LYS 44 lone 2 43 - 4 - HA VAL 68 - HD2 LYS 45 lone 2 100 - 2 - HA VAL 68 - HD3 LYS 44 lone 2 69 - 2 - HA ALA 79 - HD2 LYS 44 lone 1 41 - 4 - HA VAL 68 - HD2 LYS 44 lone 1 66 - 2 - HA VAL 68 - HD2 LYS 77 lone 1 100 - 1 - HA VAL 68 - HD3 LYS 61 lone 1 57 - 2 - HA VAL 68 - HD2 LYS 61 lone 1 57 - 2 - HA GLU 58 - HD3 LYS 61 lone 1 40 - 3 - HA GLU 58 - HD2 LYS 61 lone 1 40 - 3 - HA ILE 37 - HD3 LYS 63 lone 1 39 - 3 - HA ALA 79 - HD3 LYS 63 lone 1 31 - 3 - HA3 GLY 85 - HD3 LYS 61 lone 1 43 - 2 - HA3 GLY 85 - HD2 LYS 61 lone 1 43 - 2 - HA GLU 58 - HD3 LYS 44 lone 1 49 - 2 - HA GLU 58 - HD2 LYS 44 lone 1 46 - 2 - HA GLU 58 - HD3 LYS 63 lone 1 35 - 2 - Peak 2299 from cnoeabs.peaks (1.95, 1.70, 28.54 ppm; 3.25 A): 5 out of 72 assignments used, quality = 1.00: * HB2 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB3 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB3 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 77 + HD2 LYS 77 OK 54 63 - 86 - 3.7=67, ~3311=9...(21) HB3 LYS 45 - HD3 LYS 44 OK 13 69 - 18 - 4.0/793=2, 2263=1...(4) HB2 LYS 45 - HD3 LYS 44 OK 13 69 - 18 - 4.0/793=2, 2273=1...(4) HB3 LYS 45 - HD2 LYS 44 OK 12 66 - 19 - 4.0/793=1, 2273=1...(4) HB2 LYS 45 - HD2 LYS 44 OK 12 66 - 19 - 4.0/793=1, 2273=1...(4) HB3 LYS 45 - HD3 LYS 61 OK 10 58 - 18 - 2273=1 HB3 LYS 45 - HD2 LYS 61 OK 10 58 - 18 - 2273=1 HB2 LYS 45 - HD3 LYS 61 OK 10 58 - 18 - 2273=1 HB2 LYS 45 - HD2 LYS 61 OK 10 58 - 18 - 2263=1 HG3 PRO 49 - HD3 LYS 44 lone 4 64 - 7 - 7089/5.4=2 HG3 PRO 49 - HD2 LYS 44 lone 4 61 - 7 - 7089/5.4=2 HB2 LYS 77 - HD2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HD3 LYS 45 lone 4 62 - 6 - HB2 LYS 77 - HD3 LYS 44 lone 3 36 - 9 - 3.0/3256=1, 4.7/355=1 HB3 GLU 28 - HD3 LYS 44 lone 3 36 - 8 - ~5001=1, ~5005=1...(4) HB2 LYS 77 - HD2 LYS 44 lone 3 34 - 9 - 3.0/3256=1, 4.7/355=1 HG3 PRO 49 - HD3 LYS 63 lone 3 47 - 6 - HB3 GLU 28 - HD2 LYS 44 lone 3 34 - 8 - ~5001=1, ~5005=1...(4) HB3 LYS 45 - HD3 LYS 63 lone 3 51 - 5 - HB2 LYS 45 - HD3 LYS 63 lone 3 51 - 5 - HB2 LYS 77 - HD3 LYS 63 lone 2 25 - 9 - 7101/3.9=1, 3.0/3256=1, ~6414=1 HB VAL 95 - HD3 LYS 45 lone 2 100 - 2 - HB VAL 95 - HD2 LYS 45 lone 2 100 - 2 - HB3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HB2 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG3 PRO 49 - HD2 LYS 45 lone 2 97 - 2 - HG3 PRO 49 - HD3 LYS 45 lone 2 97 - 2 - HB VAL 95 - HD2 LYS 77 lone 1 100 - 2 - HB2 GLU 65 - HD3 LYS 63 lone 1 27 - 5 - 7114/3.9=3 HG3 PRO 49 - HD2 LYS 77 lone 1 97 - 1 - HB2 LYS 77 - HD3 LYS 61 lone 1 29 - 4 - HB2 LYS 77 - HD2 LYS 61 lone 1 29 - 4 - HG3 PRO 73 - HD3 LYS 45 lone 1 100 - 1 - HG3 PRO 73 - HD2 LYS 45 lone 1 100 - 1 - HB VAL 95 - HD2 LYS 61 lone 1 57 - 2 - HB VAL 95 - HD3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HD3 LYS 63 lone 1 51 - 2 - HB2 GLU 65 - HD2 LYS 77 lone 1 65 - 1 - HB VAL 95 - HD3 LYS 44 lone 1 68 - 1 - HB VAL 95 - HD3 LYS 63 lone 1 50 - 2 - HB VAL 95 - HD2 LYS 44 lone 1 65 - 1 - HG2 GLN 19 - HD2 LYS 45 lone 1 71 - 1 - HG2 GLN 19 - HD3 LYS 45 lone 1 71 - 1 - HG3 PRO 49 - HD3 LYS 61 lone 1 53 - 2 - HG3 PRO 49 - HD2 LYS 61 lone 1 53 - 2 - HG3 PRO 73 - HD2 LYS 77 lone 1 100 - 1 - HB3 GLU 28 - HD2 LYS 77 lone 1 63 - 1 - HB2 GLU 65 - HD2 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD2 LYS 45 lone 1 63 - 1 - HB2 GLU 65 - HD3 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD3 LYS 45 lone 1 62 - 1 - HG2 GLN 19 - HD2 LYS 77 lone 1 71 - 1 - HG2 GLN 19 - HD3 LYS 63 lone 1 29 - 2 - HB3 GLU 28 - HD3 LYS 63 lone 1 25 - 2 - HG3 PRO 73 - HD3 LYS 61 lone 0 58 - 1 - HG3 PRO 73 - HD2 LYS 61 lone 0 58 - 1 - HG3 PRO 73 - HD3 LYS 44 lone 0 69 - 1 - HG3 PRO 73 - HD2 LYS 44 lone 0 66 - 1 - HG2 GLN 19 - HD3 LYS 44 lone 0 42 - 1 - HB2 GLU 65 - HD3 LYS 44 lone 0 38 - 1 - HG2 GLN 19 - HD2 LYS 44 lone 0 39 - 1 - HB2 GLU 65 - HD2 LYS 44 lone 0 36 - 1 - HB2 GLU 65 - HD2 LYS 61 lone 0 31 - 1 - HB2 GLU 65 - HD3 LYS 61 lone 0 31 - 1 - HB3 GLU 28 - HD3 LYS 61 lone 0 29 - 1 - HB3 GLU 28 - HD2 LYS 61 lone 0 29 - 1 - HG2 GLN 19 - HD3 LYS 61 lone 0 34 - 1 - HG2 GLN 19 - HD2 LYS 61 lone 0 34 - 1 - Peak 2300 from cnoeabs.peaks (1.95, 1.70, 28.54 ppm; 3.25 A): 5 out of 72 assignments used, quality = 1.00: HB2 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) * HB3 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB3 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 77 + HD2 LYS 77 OK 54 63 - 86 - 3.7=67, ~3311=9...(21) HB3 LYS 45 - HD3 LYS 44 OK 13 69 - 18 - 4.0/793=2, 2263=1...(4) HB2 LYS 45 - HD3 LYS 44 OK 13 69 - 18 - 4.0/793=2, 2273=1...(4) HB3 LYS 45 - HD2 LYS 44 OK 12 66 - 19 - 4.0/793=1, 2273=1...(4) HB2 LYS 45 - HD2 LYS 44 OK 12 66 - 19 - 4.0/793=1, 2273=1...(4) HB3 LYS 45 - HD3 LYS 61 OK 10 58 - 18 - 2273=1 HB3 LYS 45 - HD2 LYS 61 OK 10 58 - 18 - 2273=1 HB2 LYS 45 - HD3 LYS 61 OK 10 58 - 18 - 2273=1 HB2 LYS 45 - HD2 LYS 61 OK 10 58 - 18 - 2263=1 HG3 PRO 49 - HD3 LYS 44 lone 4 64 - 7 - 7089/5.4=2 HG3 PRO 49 - HD2 LYS 44 lone 4 61 - 7 - 7089/5.4=2 HB2 LYS 77 - HD2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HD3 LYS 45 lone 4 62 - 6 - HB2 LYS 77 - HD3 LYS 44 lone 3 36 - 9 - 3.0/3256=1, 4.7/355=1 HB3 GLU 28 - HD3 LYS 44 lone 3 36 - 8 - ~5001=1, ~5005=1...(4) HB2 LYS 77 - HD2 LYS 44 lone 3 34 - 9 - 3.0/3256=1, 4.7/355=1 HG3 PRO 49 - HD3 LYS 63 lone 3 47 - 6 - HB3 GLU 28 - HD2 LYS 44 lone 3 34 - 8 - ~5001=1, ~5005=1...(4) HB3 LYS 45 - HD3 LYS 63 lone 3 51 - 5 - HB2 LYS 45 - HD3 LYS 63 lone 3 51 - 5 - HB2 LYS 77 - HD3 LYS 63 lone 2 25 - 9 - 7101/3.9=1, 3.0/3256=1, ~6414=1 HB VAL 95 - HD3 LYS 45 lone 2 100 - 2 - HB VAL 95 - HD2 LYS 45 lone 2 100 - 2 - HB3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HB2 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG3 PRO 49 - HD2 LYS 45 lone 2 97 - 2 - HG3 PRO 49 - HD3 LYS 45 lone 2 97 - 2 - HB VAL 95 - HD2 LYS 77 lone 1 100 - 2 - HB2 GLU 65 - HD3 LYS 63 lone 1 27 - 5 - 7114/3.9=3 HG3 PRO 49 - HD2 LYS 77 lone 1 97 - 1 - HB2 LYS 77 - HD3 LYS 61 lone 1 29 - 4 - HB2 LYS 77 - HD2 LYS 61 lone 1 29 - 4 - HG3 PRO 73 - HD3 LYS 45 lone 1 100 - 1 - HG3 PRO 73 - HD2 LYS 45 lone 1 100 - 1 - HB VAL 95 - HD2 LYS 61 lone 1 57 - 2 - HB VAL 95 - HD3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HD3 LYS 63 lone 1 51 - 2 - HB2 GLU 65 - HD2 LYS 77 lone 1 65 - 1 - HB VAL 95 - HD3 LYS 44 lone 1 68 - 1 - HB VAL 95 - HD3 LYS 63 lone 1 50 - 2 - HB VAL 95 - HD2 LYS 44 lone 1 65 - 1 - HG2 GLN 19 - HD2 LYS 45 lone 1 71 - 1 - HG2 GLN 19 - HD3 LYS 45 lone 1 71 - 1 - HG3 PRO 49 - HD3 LYS 61 lone 1 53 - 2 - HG3 PRO 49 - HD2 LYS 61 lone 1 53 - 2 - HG3 PRO 73 - HD2 LYS 77 lone 1 100 - 1 - HB3 GLU 28 - HD2 LYS 77 lone 1 63 - 1 - HB2 GLU 65 - HD2 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD2 LYS 45 lone 1 63 - 1 - HB2 GLU 65 - HD3 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD3 LYS 45 lone 1 62 - 1 - HG2 GLN 19 - HD2 LYS 77 lone 1 71 - 1 - HG2 GLN 19 - HD3 LYS 63 lone 1 29 - 2 - HB3 GLU 28 - HD3 LYS 63 lone 1 25 - 2 - HG3 PRO 73 - HD3 LYS 61 lone 0 58 - 1 - HG3 PRO 73 - HD2 LYS 61 lone 0 58 - 1 - HG3 PRO 73 - HD3 LYS 44 lone 0 69 - 1 - HG3 PRO 73 - HD2 LYS 44 lone 0 66 - 1 - HG2 GLN 19 - HD3 LYS 44 lone 0 42 - 1 - HB2 GLU 65 - HD3 LYS 44 lone 0 38 - 1 - HG2 GLN 19 - HD2 LYS 44 lone 0 39 - 1 - HB2 GLU 65 - HD2 LYS 44 lone 0 36 - 1 - HB2 GLU 65 - HD2 LYS 61 lone 0 31 - 1 - HB2 GLU 65 - HD3 LYS 61 lone 0 31 - 1 - HB3 GLU 28 - HD3 LYS 61 lone 0 29 - 1 - HB3 GLU 28 - HD2 LYS 61 lone 0 29 - 1 - HG2 GLN 19 - HD3 LYS 61 lone 0 34 - 1 - HG2 GLN 19 - HD2 LYS 61 lone 0 34 - 1 - Peak 2301 from cnoeabs.peaks (1.51, 1.70, 28.54 ppm; 2.40 A): 3 out of 80 assignments used, quality = 0.95: * HG2 LYS 45 + HD2 LYS 45 OK 73 100 - 73 - 2.9=56, 2284/1.8=8...(21) HG2 LYS 45 + HD3 LYS 45 OK 73 100 - 73 - 2.9=56, 2284/1.8=8...(21) HB3 LYS 63 + HD3 LYS 63 OK 25 43 - 58 - 3.9=23, 2912/1.8=8...(20) HG2 LYS 94 - HD2 LYS 45 lone 9 98 - 9 - HG2 LYS 94 - HD3 LYS 45 lone 9 98 - 9 - HB3 LYS 94 - HD2 LYS 45 lone 8 78 - 10 - HB3 LYS 94 - HD3 LYS 45 lone 7 78 - 9 - HB3 LYS 63 - HD2 LYS 77 lone 7 93 - 7 - 2912/3.0=2, 2912/3.0=2 HB3 LYS 63 - HD2 LYS 45 lone 7 93 - 7 - HB3 LYS 63 - HD3 LYS 45 lone 7 93 - 7 - HG2 LYS 45 - HD3 LYS 44 lone 6 69 - 9 - 2284=1 HG2 LYS 94 - HD3 LYS 63 poor 6 47 - 13 - 3881=1 HG2 LYS 45 - HD2 LYS 44 lone 6 66 - 9 - 2284=1 HG2 LYS 94 - HD2 LYS 61 poor 6 54 - 10 - 3881/1.8=1 HG2 LYS 94 - HD3 LYS 61 poor 6 54 - 10 - 3881/1.8=1 HB3 LYS 63 - HD2 LYS 61 poor 5 49 - 11 - HB3 LYS 63 - HD3 LYS 61 poor 5 49 - 11 - HG2 LYS 45 - HD2 LYS 61 lone 5 58 - 8 - 2284=1 HG2 LYS 45 - HD3 LYS 61 lone 5 58 - 8 - 2284=1 HB3 LEU 62 - HD2 LYS 61 lone 5 52 - 9 - 3.6/278=1, 3.1/5955=1 HB3 LEU 62 - HD3 LYS 61 lone 5 52 - 9 - 3.6/278=1, 3.1/5955=1 HB3 LYS 94 - HD3 LYS 63 poor 4 33 - 14 - HB3 LYS 94 - HD2 LYS 61 poor 4 38 - 11 - HB3 LYS 94 - HD3 LYS 61 poor 4 38 - 11 - HG2 LYS 94 - HD3 LYS 44 lone 4 65 - 6 - HG2 LYS 94 - HD2 LYS 44 lone 4 62 - 6 - HG3 LYS 41 - HD3 LYS 45 lone 3 99 - 3 - HG3 LYS 41 - HD2 LYS 45 lone 3 99 - 3 - HB3 LEU 62 - HD3 LYS 63 lone 3 46 - 7 - 5950/5.0=2, 4256/5.9=2 HB3 LYS 94 - HD3 LYS 44 lone 3 47 - 5 - HB3 LYS 94 - HD2 LYS 44 lone 2 44 - 5 - HG3 LYS 41 - HD3 LYS 61 lone 2 55 - 4 - HG3 LYS 41 - HD2 LYS 61 lone 2 55 - 4 - HB3 LEU 62 - HD2 LYS 45 lone 2 97 - 2 - HB3 LEU 62 - HD3 LYS 45 lone 2 96 - 2 - HB3 LYS 63 - HD3 LYS 44 lone 1 59 - 2 - HB3 LYS 63 - HD2 LYS 44 lone 1 57 - 2 - HG3 LYS 41 - HD3 LYS 44 lone 1 67 - 2 - HG2 LYS 45 - HD3 LYS 63 lone 1 51 - 2 - HG3 LYS 41 - HD2 LYS 44 lone 1 63 - 2 - HG2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 63 - 1 - HB3 LEU 62 - HD2 LYS 77 lone 1 96 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 60 - 1 - HG LEU 53 - HD2 LYS 77 lone 1 90 - 1 - HD2 LYS 86 - HD2 LYS 45 lone 1 65 - 1 - HD2 LYS 86 - HD3 LYS 45 lone 1 65 - 1 - HG2 LYS 86 - HD3 LYS 45 lone 1 83 - 1 - HG2 LYS 86 - HD2 LYS 45 lone 1 83 - 1 - HG3 LYS 41 - HD2 LYS 77 lone 0 99 - 0 - HG13 ILE 93 - HD3 LYS 45 lone 0 99 - 0 - HG13 ILE 93 - HD2 LYS 45 lone 0 99 - 0 - HG13 ILE 93 - HD3 LYS 63 lone 0 49 - 1 - HG LEU 53 - HD2 LYS 45 lone 0 90 - 0 - HG LEU 53 - HD3 LYS 45 lone 0 90 - 0 - HD2 LYS 86 - HD2 LYS 61 lone 0 31 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 0 31 - 2 - HB3 LYS 94 - HD2 LYS 77 lone 0 78 - 1 - HG2 LYS 86 - HD3 LYS 44 lone 0 50 - 1 - HD2 LYS 86 - HD3 LYS 63 lone 0 27 - 2 - HG2 LYS 86 - HD2 LYS 44 lone 0 48 - 1 - HG2 LYS 94 - HD2 LYS 77 lone 0 98 - 0 - HD2 LYS 86 - HD3 LYS 44 lone 0 38 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 0 56 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 0 56 - 1 - HD2 LYS 86 - HD2 LYS 44 lone 0 36 - 1 - HG2 LYS 86 - HD3 LYS 63 lone 0 36 - 1 - HG2 LYS 86 - HD3 LYS 61 lone 0 41 - 1 - HG2 LYS 86 - HD2 LYS 61 lone 0 41 - 1 - HG13 ILE 93 - HD3 LYS 44 lone 0 67 - 0 - HG13 ILE 93 - HD2 LYS 44 lone 0 64 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 99 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 83 - 0 - HG3 LYS 41 - HD3 LYS 63 lone 0 49 - 0 - HG LEU 53 - HD3 LYS 61 lone 0 47 - 0 - HG LEU 53 - HD2 LYS 61 lone 0 47 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 65 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 57 - 0 - HG LEU 53 - HD2 LYS 44 lone 0 54 - 0 - HG LEU 53 - HD3 LYS 63 lone 0 41 - 0 - Peak 2302 from cnoeabs.peaks (1.40, 1.70, 28.54 ppm; 2.81 A): 2 out of 56 assignments used, quality = 1.00: * HG3 LYS 45 + HD2 LYS 45 OK 95 100 - 95 - 2.9=89, 1.8/2284=11...(19) HG3 LYS 45 + HD3 LYS 45 OK 95 100 - 95 - 2.9=89, 1.8/2284=11...(19) HG2 LYS 61 - HD3 LYS 61 OK 41 44 - 93 - 3.0=85, 2294/1.8=3...(32) HG2 LYS 61 - HD2 LYS 61 OK 41 44 - 93 - 3.0=85, 2294/1.8=3...(32) QB ALA 78 - HD2 LYS 77 OK 40 100 - 40 - 2.9/355=5, 6444/3.7=4...(16) HG3 LYS 61 - HD3 LYS 61 OK 40 43 - 93 - 3.0=85, 1.8/2294=3...(32) HG3 LYS 61 - HD2 LYS 61 OK 40 43 - 93 - 3.0=85, 1.8/2294=3...(32) QB ALA 78 - HD3 LYS 44 poor 10 68 - 14 - 6442/1.8=2, 2.9/355=1...(4) QB ALA 78 - HD2 LYS 44 poor 9 65 - 14 - 6442/1.8=2, 2.9/355=1...(4) HG3 LYS 45 - HD3 LYS 44 poor 8 69 - 12 - 2078/3.0=1, 1.8/2284=1 HG3 LYS 45 - HD2 LYS 44 poor 8 66 - 12 - 2078/3.0=1, 1.8/2284=1 HG2 LYS 61 - HD3 LYS 44 poor 8 54 - 15 - HG2 LYS 61 - HD2 LYS 45 lone 8 87 - 9 - HG2 LYS 61 - HD3 LYS 45 lone 8 87 - 9 - HG3 LYS 61 - HD3 LYS 44 poor 8 52 - 15 - HG3 LYS 61 - HD2 LYS 45 lone 8 85 - 9 - HG2 LYS 61 - HD2 LYS 44 poor 7 51 - 15 - HG3 LYS 61 - HD3 LYS 45 lone 7 85 - 9 - HG3 LYS 61 - HD2 LYS 44 poor 7 49 - 15 - QB ALA 78 - HD2 LYS 45 lone 7 100 - 7 - QB ALA 78 - HD3 LYS 45 lone 7 100 - 7 - HG3 LYS 45 - HD3 LYS 61 poor 6 58 - 10 - 1.8/2284=1 HG3 LYS 45 - HD2 LYS 61 poor 6 58 - 10 - 1.8/2284=1 HG2 LYS 61 - HD3 LYS 63 poor 6 39 - 15 - ~2941=1, ~2940=1 HG3 LYS 61 - HD3 LYS 63 poor 5 37 - 15 - ~2941=1, ~2940=1 HG2 LYS 41 - HD3 LYS 45 lone 5 100 - 5 - HG2 LYS 41 - HD2 LYS 45 lone 5 100 - 5 - QB ALA 78 - HD3 LYS 61 lone 3 57 - 6 - QB ALA 78 - HD2 LYS 61 lone 3 57 - 6 - HG2 LYS 41 - HD2 LYS 61 lone 3 57 - 5 - HG2 LYS 41 - HD3 LYS 61 lone 3 57 - 5 - HG3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG3 LYS 45 - HD3 LYS 63 lone 2 51 - 3 - HD3 LYS 86 - HD2 LYS 45 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 45 lone 2 85 - 2 - HG2 LYS 41 - HD3 LYS 44 lone 2 68 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 2 65 - 2 - QB ALA 78 - HD3 LYS 63 lone 1 50 - 3 - HG2 LYS 61 - HD2 LYS 77 lone 1 87 - 1 - HG2 LYS 41 - HD2 LYS 77 lone 1 100 - 1 - HG3 LYS 61 - HD2 LYS 77 lone 1 85 - 1 - HB3 LEU 53 - HD2 LYS 77 lone 1 93 - 1 - HB3 LEU 53 - HD2 LYS 45 lone 1 93 - 1 - HB3 LEU 53 - HD3 LYS 45 lone 1 93 - 1 - HD3 LYS 86 - HD2 LYS 61 lone 1 43 - 3 - HD3 LYS 86 - HD3 LYS 61 lone 1 43 - 3 - HD3 LYS 86 - HD3 LYS 44 lone 1 52 - 2 - HD3 LYS 86 - HD2 LYS 44 lone 1 49 - 2 - HD3 LYS 86 - HD3 LYS 63 lone 1 37 - 2 - HD3 LYS 86 - HD2 LYS 77 lone 1 85 - 1 - HB3 LEU 53 - HD3 LYS 61 lone 1 49 - 1 - HB3 LEU 53 - HD2 LYS 61 lone 1 49 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 50 - 1 - HB3 LEU 53 - HD3 LYS 44 lone 0 59 - 1 - HB3 LEU 53 - HD3 LYS 63 lone 0 43 - 1 - HB3 LEU 53 - HD2 LYS 44 lone 0 57 - 1 - Peak 2303 from cnoeabs.peaks (1.70, 1.70, 28.54 ppm; diagonal): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 45 + HD2 LYS 45 OK 100 100 - 100 HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD3 LYS 45 + HD3 LYS 45 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 49 49 - 100 HD2 LYS 44 - HD2 LYS 44 OK 44 44 - 100 HD3 LYS 61 - HD3 LYS 61 OK 38 38 - 100 HD2 LYS 61 - HD2 LYS 61 OK 38 38 - 100 HD3 LYS 63 - HD3 LYS 63 OK 33 33 - 100 Peak 2304 from cnoeabs.peaks (1.70, 1.70, 28.54 ppm; diagonal): 5 out of 8 assignments used, quality = 1.00: HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD2 LYS 45 + HD2 LYS 45 OK 100 100 - 100 HD3 LYS 45 + HD3 LYS 45 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 52 52 - 100 HD2 LYS 44 + HD2 LYS 44 OK 48 48 - 100 HD3 LYS 61 - HD3 LYS 61 OK 41 41 - 100 HD2 LYS 61 - HD2 LYS 61 OK 41 41 - 100 HD3 LYS 63 - HD3 LYS 63 OK 36 36 - 100 Reference assignment not found: HD3 LYS 45 - HD2 LYS 45 Peak 2305 from cnoeabs.peaks (2.99, 1.70, 28.54 ppm; 2.60 A): 4 out of 88 assignments used, quality = 1.00: * HE2 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE2 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 61 - HD3 LYS 61 OK 43 54 - 79 - 2.9=69, 1.8/2831=2...(18) HE3 LYS 61 - HD2 LYS 61 OK 43 54 - 79 - 2.9=69, 1.8/2831=2...(18) HE2 LYS 44 - HD3 LYS 44 OK 36 45 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD3 LYS 44 OK 35 43 - 80 - 3.0=67, 3.9/2199=3...(24) HE2 LYS 44 - HD2 LYS 44 OK 34 43 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD2 LYS 44 OK 33 41 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 63 - HD3 LYS 63 OK 32 42 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE2 LYS 63 - HD3 LYS 63 OK 31 41 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE3 LYS 61 - HD3 LYS 44 poor 7 65 - 11 - HE3 LYS 61 - HD2 LYS 44 poor 7 62 - 11 - HE2 LYS 45 - HD3 LYS 44 lone 5 69 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 5 69 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 5 66 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 5 66 - 8 - HE3 LYS 63 - HD2 LYS 61 poor 5 48 - 10 - HE3 LYS 63 - HD3 LYS 61 poor 5 48 - 10 - HE2 LYS 63 - HD2 LYS 61 poor 5 47 - 10 - HE2 LYS 63 - HD3 LYS 61 poor 5 47 - 10 - HE3 LYS 61 - HD2 LYS 45 lone 5 98 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 5 98 - 5 - HE2 LYS 94 - HD3 LYS 63 lone 4 43 - 10 - 2905/3.9=1 HE2 LYS 94 - HD2 LYS 45 lone 4 93 - 4 - HE2 LYS 94 - HD3 LYS 45 lone 4 93 - 4 - HE2 LYS 44 - HD2 LYS 45 lone 4 76 - 5 - HE2 LYS 44 - HD3 LYS 45 lone 4 76 - 5 - HE3 LYS 44 - HD2 LYS 45 lone 4 73 - 5 - HE2 LYS 45 - HD2 LYS 61 lone 4 58 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 4 58 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 4 58 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 4 58 - 6 - HE3 LYS 44 - HD3 LYS 45 lone 4 73 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 4 87 - 4 - HE3 LYS 94 - HD3 LYS 63 lone 4 39 - 10 - 2905/3.9=1 HE3 LYS 94 - HD3 LYS 45 lone 4 87 - 4 - HE3 LYS 63 - HD2 LYS 45 lone 4 92 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 3 90 - 4 - HE3 LYS 63 - HD3 LYS 45 lone 3 92 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 3 90 - 4 - HE2 LYS 44 - HD3 LYS 61 lone 3 37 - 9 - HE2 LYS 44 - HD2 LYS 61 lone 3 37 - 9 - HE3 LYS 44 - HD3 LYS 61 lone 3 35 - 9 - HE3 LYS 44 - HD2 LYS 61 lone 3 35 - 9 - HE3 LYS 35 - HD3 LYS 44 lone 3 40 - 7 - HE2 LYS 35 - HD3 LYS 44 lone 3 40 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 3 49 - 5 - HE2 LYS 94 - HD3 LYS 61 lone 3 49 - 5 - HE3 LYS 35 - HD2 LYS 44 lone 3 38 - 7 - HE2 LYS 35 - HD2 LYS 44 lone 3 38 - 7 - HE2 LYS 45 - HD3 LYS 63 lone 2 51 - 5 - HE3 LYS 45 - HD3 LYS 63 lone 2 51 - 5 - HE3 LYS 94 - HD2 LYS 61 lone 2 44 - 5 - HE3 LYS 94 - HD3 LYS 61 lone 2 44 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 2 47 - 4 - HE3 LYS 35 - HD2 LYS 61 lone 2 32 - 5 - HE2 LYS 35 - HD3 LYS 61 lone 2 32 - 5 - HE2 LYS 35 - HD2 LYS 61 lone 2 32 - 5 - HE3 LYS 35 - HD3 LYS 61 lone 2 32 - 5 - HE3 LYS 63 - HD2 LYS 77 lone 2 92 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 2 90 - 2 - HE2 LYS 94 - HD3 LYS 44 lone 2 59 - 3 - HE2 LYS 94 - HD2 LYS 44 lone 2 57 - 3 - HE3 LYS 94 - HD3 LYS 44 lone 1 54 - 3 - HE3 LYS 94 - HD2 LYS 44 lone 1 51 - 3 - HE2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 63 - HD3 LYS 44 lone 1 58 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 76 - 1 - HE2 LYS 63 - HD3 LYS 44 lone 1 57 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 1 73 - 1 - HE3 LYS 63 - HD2 LYS 44 lone 1 55 - 2 - HE2 LYS 63 - HD2 LYS 44 lone 1 54 - 2 - HE3 LYS 61 - HD2 LYS 77 lone 1 98 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 93 - 0 - HE2 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 44 - HD3 LYS 63 lone 0 32 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 87 - 0 - HE3 LYS 44 - HD3 LYS 63 lone 0 31 - 1 - HE2 LYS 35 - HD3 LYS 63 lone 0 28 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 0 28 - 1 - Peak 2306 from cnoeabs.peaks (2.99, 1.70, 28.54 ppm; 2.60 A): 4 out of 88 assignments used, quality = 1.00: HE2 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) * HE3 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE2 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 61 - HD3 LYS 61 OK 43 54 - 79 - 2.9=69, 1.8/2831=2...(18) HE3 LYS 61 - HD2 LYS 61 OK 43 54 - 79 - 2.9=69, 1.8/2831=2...(18) HE2 LYS 44 - HD3 LYS 44 OK 36 45 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD3 LYS 44 OK 35 43 - 80 - 3.0=67, 3.9/2199=3...(24) HE2 LYS 44 - HD2 LYS 44 OK 34 43 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD2 LYS 44 OK 33 41 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 63 - HD3 LYS 63 OK 32 42 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE2 LYS 63 - HD3 LYS 63 OK 31 41 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE3 LYS 61 - HD3 LYS 44 poor 7 65 - 11 - HE3 LYS 61 - HD2 LYS 44 poor 7 62 - 11 - HE2 LYS 45 - HD3 LYS 44 lone 5 69 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 5 69 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 5 66 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 5 66 - 8 - HE3 LYS 63 - HD2 LYS 61 poor 5 48 - 10 - HE3 LYS 63 - HD3 LYS 61 poor 5 48 - 10 - HE2 LYS 63 - HD2 LYS 61 poor 5 47 - 10 - HE2 LYS 63 - HD3 LYS 61 poor 5 47 - 10 - HE3 LYS 61 - HD2 LYS 45 lone 5 98 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 5 98 - 5 - HE2 LYS 94 - HD3 LYS 63 lone 4 43 - 10 - 2905/3.9=1 HE2 LYS 94 - HD2 LYS 45 lone 4 93 - 4 - HE2 LYS 94 - HD3 LYS 45 lone 4 93 - 4 - HE2 LYS 44 - HD2 LYS 45 lone 4 76 - 5 - HE2 LYS 44 - HD3 LYS 45 lone 4 76 - 5 - HE3 LYS 44 - HD2 LYS 45 lone 4 73 - 5 - HE2 LYS 45 - HD2 LYS 61 lone 4 58 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 4 58 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 4 58 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 4 58 - 6 - HE3 LYS 44 - HD3 LYS 45 lone 4 73 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 4 87 - 4 - HE3 LYS 94 - HD3 LYS 63 lone 4 39 - 10 - 2905/3.9=1 HE3 LYS 94 - HD3 LYS 45 lone 4 87 - 4 - HE3 LYS 63 - HD2 LYS 45 lone 4 92 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 3 90 - 4 - HE3 LYS 63 - HD3 LYS 45 lone 3 92 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 3 90 - 4 - HE2 LYS 44 - HD3 LYS 61 lone 3 37 - 9 - HE2 LYS 44 - HD2 LYS 61 lone 3 37 - 9 - HE3 LYS 44 - HD3 LYS 61 lone 3 35 - 9 - HE3 LYS 44 - HD2 LYS 61 lone 3 35 - 9 - HE3 LYS 35 - HD3 LYS 44 lone 3 40 - 7 - HE2 LYS 35 - HD3 LYS 44 lone 3 40 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 3 49 - 5 - HE2 LYS 94 - HD3 LYS 61 lone 3 49 - 5 - HE3 LYS 35 - HD2 LYS 44 lone 3 38 - 7 - HE2 LYS 35 - HD2 LYS 44 lone 3 38 - 7 - HE2 LYS 45 - HD3 LYS 63 lone 2 51 - 5 - HE3 LYS 45 - HD3 LYS 63 lone 2 51 - 5 - HE3 LYS 94 - HD2 LYS 61 lone 2 44 - 5 - HE3 LYS 94 - HD3 LYS 61 lone 2 44 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 2 47 - 4 - HE3 LYS 35 - HD2 LYS 61 lone 2 32 - 5 - HE2 LYS 35 - HD3 LYS 61 lone 2 32 - 5 - HE2 LYS 35 - HD2 LYS 61 lone 2 32 - 5 - HE3 LYS 35 - HD3 LYS 61 lone 2 32 - 5 - HE3 LYS 63 - HD2 LYS 77 lone 2 92 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 2 90 - 2 - HE2 LYS 94 - HD3 LYS 44 lone 2 59 - 3 - HE2 LYS 94 - HD2 LYS 44 lone 2 57 - 3 - HE3 LYS 94 - HD3 LYS 44 lone 1 54 - 3 - HE3 LYS 94 - HD2 LYS 44 lone 1 51 - 3 - HE2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 63 - HD3 LYS 44 lone 1 58 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 76 - 1 - HE2 LYS 63 - HD3 LYS 44 lone 1 57 - 2 - HE3 LYS 44 - HD2 LYS 77 lone 1 73 - 1 - HE3 LYS 63 - HD2 LYS 44 lone 1 55 - 2 - HE2 LYS 63 - HD2 LYS 44 lone 1 54 - 2 - HE3 LYS 61 - HD2 LYS 77 lone 1 98 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 93 - 0 - HE2 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 44 - HD3 LYS 63 lone 0 32 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 87 - 0 - HE3 LYS 44 - HD3 LYS 63 lone 0 31 - 1 - HE2 LYS 35 - HD3 LYS 63 lone 0 28 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 0 28 - 1 - Peak 2308 from cnoeabs.peaks (4.24, 1.70, 28.54 ppm; 4.25 A): 2 out of 80 assignments used, quality = 0.99: HA LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 5.1=57, 2252/2.9=14...(35) * HA LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 5.1=57, 2252/2.9=14...(35) HA LYS 45 - HD3 LYS 44 OK 29 75 - 39 - ~192=10, 3.0/793=3...(15) HA LYS 45 - HD2 LYS 44 OK 28 72 - 39 - ~192=10, 3.0/793=3...(15) HA LYS 63 - HD3 LYS 63 OK 28 30 - 92 - 5.0=61, ~2912=15...(29) HA LYS 45 - HD3 LYS 61 OK 19 63 - 31 - 2252/3.0=3, 2252/3.0=3...(13) HA LYS 45 - HD2 LYS 61 OK 19 63 - 31 - 2252/3.0=3, 2252/3.0=3...(13) HA LYS 63 - HD3 LYS 94 OK 15 32 - 48 - 3.0/2903=4, 3.0/2913=3...(28) HA LYS 63 - HD2 LYS 94 OK 15 32 - 48 - 3.0/2903=4, 3.0/2913=3...(28) HA LYS 63 - HD2 LYS 45 OK 14 65 - 21 - 3.0/2903=1, 3.0/2913=1...(10) HA3 GLY 64 - HD3 LYS 63 OK 14 55 - 25 - 5986/3.9=5, ~293=3...(9) HA LYS 63 - HD3 LYS 45 OK 14 65 - 21 - 3.0/2903=1, 3.0/2913=1...(10) HA LYS 63 - HD2 LYS 77 OK 13 65 - 20 - 2892/3.0=3, 2892/3.0=3...(9) HA3 GLY 85 - HD3 LYS 94 OK 13 44 - 29 - 6644/4.7=7, ~7130=5...(7) HA3 GLY 85 - HD2 LYS 94 OK 13 44 - 29 - 6644/4.7=7, ~7130=5...(7) HA LYS 63 - HD3 LYS 61 OK 13 34 - 37 - 3.0/2903=2, 3.0/887=2...(15) HA LYS 63 - HD2 LYS 61 OK 13 34 - 37 - 3.0/2903=2, 3.0/887=2...(15) HA3 GLY 64 - HD3 LYS 94 OK 10 59 - 18 - 4.9/2893=2, ~3884=2...(8) HA3 GLY 64 - HD2 LYS 94 OK 10 59 - 18 - 4.9/2893=2, ~3884=2...(8) HA ILE 37 - HD2 LYS 61 poor 9 49 - 20 - ~5286=2, ~5269=2...(9) HA ILE 37 - HD3 LYS 61 poor 9 49 - 20 - ~5286=2, ~5269=2...(9) HA LYS 45 - HD3 LYS 94 poor 9 60 - 16 - 3.8/2284=1, 2254=1, ~790=1 HA LYS 45 - HD2 LYS 94 poor 9 60 - 16 - 3.8/2284=1, 2254=1, ~790=1 HA3 GLY 64 - HD2 LYS 45 lone 8 100 - 8 - ~2277=1 HA3 GLY 64 - HD3 LYS 45 lone 8 100 - 8 - ~2277=1 HA3 GLY 64 - HD3 LYS 61 poor 7 63 - 12 - 4.9/2893=1 HA3 GLY 64 - HD2 LYS 61 poor 7 63 - 12 - 4.9/2893=1 HA ILE 37 - HD2 LYS 77 lone 6 87 - 7 - 3.6/6407=2, ~5286=1 HA ALA 79 - HD2 LYS 77 lone 6 73 - 8 - 3.6/956=3, ~6472=1 HA3 GLY 64 - HD2 LYS 77 lone 5 100 - 5 - 5985/3.7=1, 5986/1.8=1 HA3 GLY 85 - HD3 LYS 45 lone 5 85 - 6 - ~6652=1, ~6648=1, 6655/2.9=1 HA3 GLY 85 - HD2 LYS 45 lone 5 85 - 6 - ~6652=1, ~6648=1, 6655/2.9=1 HA ILE 37 - HD3 LYS 44 lone 5 59 - 8 - 3.6/6407=1 HA GLU 58 - HD2 LYS 77 lone 5 81 - 6 - ~5898=2, 3.0/254=1 HA LYS 45 - HD3 LYS 63 lone 5 56 - 8 - HA ILE 37 - HD2 LYS 44 lone 5 56 - 8 - 3.6/6407=1 HA LYS 45 - HD2 LYS 77 lone 4 100 - 4 - HA LYS 63 - HD3 LYS 44 lone 3 42 - 8 - HA ILE 37 - HD3 LYS 45 lone 3 87 - 4 - HA ILE 37 - HD2 LYS 45 lone 3 87 - 4 - HA3 GLY 64 - HD3 LYS 44 lone 3 74 - 4 - HA LYS 63 - HD2 LYS 44 lone 3 40 - 8 - HA ILE 37 - HD3 LYS 94 lone 3 46 - 7 - HA ILE 37 - HD2 LYS 94 lone 3 46 - 7 - HA3 GLY 64 - HD2 LYS 44 lone 3 71 - 4 - HA ALA 79 - HD2 LYS 45 lone 3 73 - 4 - HA ALA 79 - HD3 LYS 45 lone 3 73 - 4 - HA3 GLY 85 - HD3 LYS 44 lone 3 57 - 4 - 6654/3.8=1 HA3 GLY 85 - HD2 LYS 44 lone 2 55 - 4 - 6654/3.8=1 HA ALA 79 - HD2 LYS 61 lone 2 39 - 6 - HA ALA 79 - HD3 LYS 61 lone 2 39 - 6 - HA3 GLY 85 - HD3 LYS 63 lone 2 41 - 5 - 2937/1.8=1 HA VAL 68 - HD3 LYS 63 lone 2 56 - 4 - HA VAL 68 - HD3 LYS 94 lone 2 59 - 3 - HA VAL 68 - HD2 LYS 94 lone 2 59 - 3 - HA ALA 79 - HD3 LYS 44 lone 2 48 - 4 - HA3 GLY 85 - HD2 LYS 77 lone 2 85 - 2 - HA ALA 79 - HD2 LYS 44 lone 2 46 - 4 - HA VAL 68 - HD3 LYS 44 lone 2 75 - 2 - HA VAL 68 - HD2 LYS 44 lone 2 72 - 2 - HA GLU 58 - HD3 LYS 45 lone 2 81 - 2 - HA GLU 58 - HD2 LYS 45 lone 2 80 - 2 - HA VAL 68 - HD3 LYS 45 lone 2 100 - 2 - HA VAL 68 - HD2 LYS 61 lone 2 63 - 2 - HA VAL 68 - HD3 LYS 61 lone 2 63 - 2 - HA VAL 68 - HD2 LYS 45 lone 2 100 - 2 - HA GLU 58 - HD2 LYS 61 lone 1 44 - 3 - HA GLU 58 - HD3 LYS 61 lone 1 44 - 3 - HA ILE 37 - HD3 LYS 63 lone 1 43 - 3 - HA VAL 68 - HD2 LYS 77 lone 1 100 - 1 - HA GLU 58 - HD3 LYS 94 lone 1 41 - 3 - HA GLU 58 - HD2 LYS 94 lone 1 41 - 3 - HA ALA 79 - HD3 LYS 94 lone 1 37 - 4 - HA ALA 79 - HD2 LYS 94 lone 1 37 - 4 - HA ALA 79 - HD3 LYS 63 lone 1 34 - 3 - HA3 GLY 85 - HD3 LYS 61 lone 1 47 - 2 - HA3 GLY 85 - HD2 LYS 61 lone 1 47 - 2 - HA GLU 58 - HD3 LYS 44 lone 1 53 - 2 - HA GLU 58 - HD2 LYS 44 lone 1 51 - 2 - HA GLU 58 - HD3 LYS 63 lone 1 39 - 2 - Peak 2309 from cnoeabs.peaks (1.95, 1.70, 28.54 ppm; 3.25 A): 5 out of 90 assignments used, quality = 1.00: HB2 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB3 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) * HB2 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB3 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 77 + HD2 LYS 77 OK 54 63 - 86 - 3.7=67, ~3311=9...(21) HB3 LYS 45 - HD3 LYS 44 OK 14 75 - 18 - 4.0/793=2, 2273=1...(4) HB2 LYS 45 - HD3 LYS 44 OK 14 75 - 18 - 4.0/793=2, 2273=1...(4) HB3 LYS 45 - HD2 LYS 44 OK 13 72 - 19 - 4.0/793=1, 2273=1...(4) HB2 LYS 45 - HD2 LYS 44 OK 13 72 - 19 - 4.0/793=1, 2273=1...(4) HB VAL 95 - HD2 LYS 94 OK 13 59 - 22 - 6876/4.7=5, ~6867=3...(9) HB VAL 95 - HD3 LYS 94 OK 13 59 - 22 - 6876/4.7=5, ~6867=3...(9) HB2 LYS 45 - HD2 LYS 61 OK 12 63 - 18 - 2263=1 HB3 LYS 45 - HD3 LYS 61 OK 12 63 - 18 - 2263=1 HB3 LYS 45 - HD2 LYS 61 OK 12 63 - 18 - 2263=1 HB2 LYS 45 - HD3 LYS 61 OK 12 63 - 18 - 2263=1 HB2 LYS 45 - HD3 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB3 LYS 45 - HD3 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB2 LYS 45 - HD2 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB3 LYS 45 - HD2 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HG2 GLN 19 - HD2 LYS 94 poor 5 35 - 15 - ~6866=4, ~6865=4...(5) HG2 GLN 19 - HD3 LYS 94 poor 5 35 - 15 - ~6866=4, ~6865=4...(5) HG3 PRO 49 - HD3 LYS 44 lone 5 70 - 7 - 7089/5.4=2 HG3 PRO 49 - HD2 LYS 44 lone 5 67 - 7 - 7089/5.4=2 HB2 LYS 77 - HD2 LYS 45 lone 4 62 - 6 - HB2 LYS 77 - HD3 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HD3 LYS 44 lone 3 40 - 9 - 3.0/3256=1, 4.7/355=1 HB3 GLU 28 - HD3 LYS 44 lone 3 40 - 9 - ~5001=1, ~5005=1...(4) HB2 LYS 77 - HD2 LYS 44 lone 3 38 - 9 - 3.0/3256=1, 4.7/355=1 HG3 PRO 49 - HD3 LYS 63 lone 3 52 - 6 - 2.3/7192=1 HB3 GLU 28 - HD2 LYS 44 lone 3 38 - 9 - ~5001=1, ~5005=1...(4) HB3 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HB2 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HG3 PRO 49 - HD2 LYS 94 lone 3 55 - 5 - HG3 PRO 49 - HD3 LYS 94 lone 3 55 - 5 - HB2 LYS 77 - HD3 LYS 63 lone 3 28 - 9 - 7101/3.9=1, 3.0/3256=1, ~6414=1 HB VAL 95 - HD3 LYS 45 lone 2 100 - 2 - HB VAL 95 - HD2 LYS 45 lone 2 100 - 2 - HB2 GLU 65 - HD2 LYS 94 lone 2 32 - 7 - 7114/3.4=2, ~6866=1, ~6865=1 HB2 GLU 65 - HD3 LYS 94 lone 2 32 - 7 - 7114/3.4=2, ~6866=1, ~6865=1 HB3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HB2 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG3 PRO 49 - HD3 LYS 45 lone 2 97 - 2 - HG3 PRO 49 - HD2 LYS 45 lone 2 97 - 2 - HB2 GLU 65 - HD3 LYS 63 lone 2 30 - 6 - 7114/3.9=3 HB VAL 95 - HD2 LYS 77 lone 1 100 - 1 - HB2 LYS 77 - HD3 LYS 61 lone 1 33 - 4 - HB2 LYS 77 - HD2 LYS 61 lone 1 33 - 4 - HG3 PRO 49 - HD2 LYS 77 lone 1 97 - 1 - HB VAL 95 - HD2 LYS 61 lone 1 63 - 2 - HB VAL 95 - HD3 LYS 61 lone 1 63 - 2 - HG3 PRO 73 - HD3 LYS 63 lone 1 56 - 2 - HG3 PRO 73 - HD3 LYS 45 lone 1 100 - 1 - HG3 PRO 73 - HD2 LYS 45 lone 1 100 - 1 - HB VAL 95 - HD3 LYS 63 lone 1 55 - 2 - HB VAL 95 - HD3 LYS 44 lone 1 74 - 1 - HB VAL 95 - HD2 LYS 44 lone 1 71 - 1 - HB2 GLU 65 - HD2 LYS 77 lone 1 65 - 1 - HG3 PRO 49 - HD3 LYS 61 lone 1 59 - 2 - HG3 PRO 49 - HD2 LYS 61 lone 1 59 - 2 - HB2 LYS 77 - HD3 LYS 94 lone 1 30 - 3 - HB2 LYS 77 - HD2 LYS 94 lone 1 30 - 3 - HG2 GLN 19 - HD3 LYS 45 lone 1 71 - 1 - HG2 GLN 19 - HD2 LYS 45 lone 1 71 - 1 - HG3 PRO 73 - HD2 LYS 77 lone 1 100 - 1 - HB3 GLU 28 - HD2 LYS 77 lone 1 63 - 1 - HB2 GLU 65 - HD2 LYS 45 lone 1 65 - 1 - HB2 GLU 65 - HD3 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD2 LYS 45 lone 1 62 - 1 - HB3 GLU 28 - HD3 LYS 45 lone 1 63 - 1 - HG2 GLN 19 - HD3 LYS 63 lone 1 33 - 2 - HB3 GLU 28 - HD3 LYS 63 lone 1 28 - 2 - HG2 GLN 19 - HD2 LYS 77 lone 1 71 - 1 - HG3 PRO 73 - HD3 LYS 61 lone 0 63 - 1 - HG3 PRO 73 - HD2 LYS 61 lone 0 63 - 1 - HG3 PRO 73 - HD3 LYS 44 lone 0 75 - 1 - HG3 PRO 73 - HD2 LYS 44 lone 0 72 - 1 - HG2 GLN 19 - HD3 LYS 44 lone 0 46 - 1 - HB2 GLU 65 - HD3 LYS 44 lone 0 42 - 1 - HG2 GLN 19 - HD2 LYS 44 lone 0 44 - 1 - HB2 GLU 65 - HD2 LYS 44 lone 0 40 - 1 - HG3 PRO 73 - HD2 LYS 94 lone 0 60 - 1 - HG3 PRO 73 - HD3 LYS 94 lone 0 60 - 1 - HB2 GLU 65 - HD2 LYS 61 lone 0 34 - 1 - HB2 GLU 65 - HD3 LYS 61 lone 0 34 - 1 - HB3 GLU 28 - HD2 LYS 94 lone 0 30 - 1 - HB3 GLU 28 - HD3 LYS 94 lone 0 30 - 1 - HB3 GLU 28 - HD3 LYS 61 lone 0 33 - 1 - HB3 GLU 28 - HD2 LYS 61 lone 0 33 - 1 - HG2 GLN 19 - HD3 LYS 61 lone 0 38 - 1 - HG2 GLN 19 - HD2 LYS 61 lone 0 38 - 1 - Peak 2310 from cnoeabs.peaks (1.95, 1.70, 28.54 ppm; 3.25 A): 5 out of 90 assignments used, quality = 1.00: HB2 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB3 LYS 45 + HD2 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(37) HB2 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) * HB3 LYS 45 + HD3 LYS 45 OK 91 100 - 91 - 3.6=70, 3.0/2284=10...(35) HB2 LYS 77 + HD2 LYS 77 OK 54 63 - 86 - 3.7=67, ~3311=9...(21) HB3 LYS 45 - HD3 LYS 44 OK 14 75 - 18 - 4.0/793=2, 2273=1...(4) HB2 LYS 45 - HD3 LYS 44 OK 14 75 - 18 - 4.0/793=2, 2273=1...(4) HB3 LYS 45 - HD2 LYS 44 OK 13 72 - 19 - 4.0/793=1, 2273=1...(4) HB2 LYS 45 - HD2 LYS 44 OK 13 72 - 19 - 4.0/793=1, 2273=1...(4) HB VAL 95 - HD2 LYS 94 OK 13 59 - 22 - 6876/4.7=5, ~6867=3...(9) HB VAL 95 - HD3 LYS 94 OK 13 59 - 22 - 6876/4.7=5, ~6867=3...(9) HB2 LYS 45 - HD2 LYS 61 OK 12 63 - 18 - 2263=1 HB3 LYS 45 - HD3 LYS 61 OK 12 63 - 18 - 2263=1 HB3 LYS 45 - HD2 LYS 61 OK 12 63 - 18 - 2263=1 HB2 LYS 45 - HD3 LYS 61 OK 12 63 - 18 - 2263=1 HB2 LYS 45 - HD3 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB3 LYS 45 - HD3 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB2 LYS 45 - HD2 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HB3 LYS 45 - HD2 LYS 94 poor 8 60 - 14 - 3.0/2284=1 HG2 GLN 19 - HD2 LYS 94 poor 5 35 - 15 - ~6866=4, ~6865=4...(5) HG2 GLN 19 - HD3 LYS 94 poor 5 35 - 15 - ~6866=4, ~6865=4...(5) HG3 PRO 49 - HD3 LYS 44 lone 5 70 - 7 - 7089/5.4=2 HG3 PRO 49 - HD2 LYS 44 lone 5 67 - 7 - 7089/5.4=2 HB2 LYS 77 - HD2 LYS 45 lone 4 62 - 6 - HB2 LYS 77 - HD3 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HD3 LYS 44 lone 3 40 - 9 - 3.0/3256=1, 4.7/355=1 HB3 GLU 28 - HD3 LYS 44 lone 3 40 - 9 - ~5001=1, ~5005=1...(4) HB2 LYS 77 - HD2 LYS 44 lone 3 38 - 9 - 3.0/3256=1, 4.7/355=1 HG3 PRO 49 - HD3 LYS 63 lone 3 52 - 6 - 2.3/7192=1 HB3 GLU 28 - HD2 LYS 44 lone 3 38 - 9 - ~5001=1, ~5005=1...(4) HB3 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HB2 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HG3 PRO 49 - HD2 LYS 94 lone 3 55 - 5 - HG3 PRO 49 - HD3 LYS 94 lone 3 55 - 5 - HB2 LYS 77 - HD3 LYS 63 lone 3 28 - 9 - 7101/3.9=1, 3.0/3256=1, ~6414=1 HB VAL 95 - HD3 LYS 45 lone 2 100 - 2 - HB VAL 95 - HD2 LYS 45 lone 2 100 - 2 - HB2 GLU 65 - HD2 LYS 94 lone 2 32 - 7 - 7114/3.4=2, ~6866=1, ~6865=1 HB2 GLU 65 - HD3 LYS 94 lone 2 32 - 7 - 7114/3.4=2, ~6866=1, ~6865=1 HB3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HB2 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG3 PRO 49 - HD3 LYS 45 lone 2 97 - 2 - HG3 PRO 49 - HD2 LYS 45 lone 2 97 - 2 - HB2 GLU 65 - HD3 LYS 63 lone 2 30 - 6 - 7114/3.9=3 HB VAL 95 - HD2 LYS 77 lone 1 100 - 1 - HB2 LYS 77 - HD3 LYS 61 lone 1 33 - 4 - HB2 LYS 77 - HD2 LYS 61 lone 1 33 - 4 - HG3 PRO 49 - HD2 LYS 77 lone 1 97 - 1 - HB VAL 95 - HD2 LYS 61 lone 1 63 - 2 - HB VAL 95 - HD3 LYS 61 lone 1 63 - 2 - HG3 PRO 73 - HD3 LYS 63 lone 1 56 - 2 - HG3 PRO 73 - HD3 LYS 45 lone 1 100 - 1 - HG3 PRO 73 - HD2 LYS 45 lone 1 100 - 1 - HB VAL 95 - HD3 LYS 63 lone 1 55 - 2 - HB VAL 95 - HD3 LYS 44 lone 1 74 - 1 - HB VAL 95 - HD2 LYS 44 lone 1 71 - 1 - HB2 GLU 65 - HD2 LYS 77 lone 1 65 - 1 - HG3 PRO 49 - HD3 LYS 61 lone 1 59 - 2 - HG3 PRO 49 - HD2 LYS 61 lone 1 59 - 2 - HB2 LYS 77 - HD3 LYS 94 lone 1 30 - 3 - HB2 LYS 77 - HD2 LYS 94 lone 1 30 - 3 - HG2 GLN 19 - HD3 LYS 45 lone 1 71 - 1 - HG2 GLN 19 - HD2 LYS 45 lone 1 71 - 1 - HG3 PRO 73 - HD2 LYS 77 lone 1 100 - 1 - HB3 GLU 28 - HD2 LYS 77 lone 1 63 - 1 - HB2 GLU 65 - HD2 LYS 45 lone 1 65 - 1 - HB2 GLU 65 - HD3 LYS 45 lone 1 65 - 1 - HB3 GLU 28 - HD2 LYS 45 lone 1 62 - 1 - HB3 GLU 28 - HD3 LYS 45 lone 1 63 - 1 - HG2 GLN 19 - HD3 LYS 63 lone 1 33 - 2 - HB3 GLU 28 - HD3 LYS 63 lone 1 28 - 2 - HG2 GLN 19 - HD2 LYS 77 lone 1 71 - 1 - HG3 PRO 73 - HD3 LYS 61 lone 0 63 - 1 - HG3 PRO 73 - HD2 LYS 61 lone 0 63 - 1 - HG3 PRO 73 - HD3 LYS 44 lone 0 75 - 1 - HG3 PRO 73 - HD2 LYS 44 lone 0 72 - 1 - HG2 GLN 19 - HD3 LYS 44 lone 0 46 - 1 - HB2 GLU 65 - HD3 LYS 44 lone 0 42 - 1 - HG2 GLN 19 - HD2 LYS 44 lone 0 44 - 1 - HB2 GLU 65 - HD2 LYS 44 lone 0 40 - 1 - HG3 PRO 73 - HD2 LYS 94 lone 0 60 - 1 - HG3 PRO 73 - HD3 LYS 94 lone 0 60 - 1 - HB2 GLU 65 - HD2 LYS 61 lone 0 34 - 1 - HB2 GLU 65 - HD3 LYS 61 lone 0 34 - 1 - HB3 GLU 28 - HD2 LYS 94 lone 0 30 - 1 - HB3 GLU 28 - HD3 LYS 94 lone 0 30 - 1 - HB3 GLU 28 - HD3 LYS 61 lone 0 33 - 1 - HB3 GLU 28 - HD2 LYS 61 lone 0 33 - 1 - HG2 GLN 19 - HD3 LYS 61 lone 0 38 - 1 - HG2 GLN 19 - HD2 LYS 61 lone 0 38 - 1 - Peak 2311 from cnoeabs.peaks (1.51, 1.70, 28.54 ppm; 2.40 A): 3 out of 100 assignments used, quality = 0.96: HG2 LYS 45 + HD2 LYS 45 OK 73 100 - 73 - 2.9=56, 2284/1.8=8...(21) * HG2 LYS 45 + HD3 LYS 45 OK 73 100 - 73 - 2.9=56, 2284/1.8=8...(21) HG2 LYS 94 + HD3 LYS 94 OK 44 56 - 78 - 2.9=56, 3877/3.4=7...(17) HG2 LYS 94 - HD2 LYS 94 OK 44 56 - 78 - 2.9=56, 3877/3.4=7...(17) HB3 LYS 63 - HD3 LYS 63 OK 28 48 - 58 - 3.9=23, 2912/1.8=8...(20) HB3 LYS 94 - HD3 LYS 94 OK 26 40 - 65 - 3.4=34, 3887/2.9=7...(24) HB3 LYS 94 - HD2 LYS 94 OK 26 40 - 65 - 3.4=34, 3887/2.9=7...(24) HB3 LYS 63 - HD3 LYS 94 OK 10 51 - 20 - 2913/1.8=1, 1.8/2903=1...(8) HB3 LYS 63 - HD2 LYS 94 OK 10 51 - 20 - 2913/1.8=1, 1.8/2903=1...(8) HG2 LYS 94 - HD2 LYS 45 lone 9 98 - 9 - HG2 LYS 94 - HD3 LYS 45 lone 9 98 - 9 - HB3 LYS 94 - HD2 LYS 45 poor 8 78 - 10 - HB3 LYS 94 - HD3 LYS 45 lone 7 78 - 10 - HG2 LYS 94 - HD3 LYS 63 poor 7 53 - 14 - 3880=1, 1.8/3891=1 HG2 LYS 45 - HD3 LYS 44 lone 7 75 - 9 - 2284=1 HB3 LYS 63 - HD2 LYS 77 lone 7 93 - 7 - 2912/3.0=2, 2912/3.0=2 HB3 LYS 63 - HD3 LYS 45 lone 7 93 - 7 - HB3 LYS 63 - HD2 LYS 45 lone 7 93 - 7 - HG2 LYS 45 - HD2 LYS 44 lone 7 72 - 9 - 2284=1 HG2 LYS 94 - HD2 LYS 61 poor 6 60 - 11 - 3880/1.8=1, 3881=1 HG2 LYS 94 - HD3 LYS 61 poor 6 60 - 11 - 3880/1.8=1, 3880=1 HB3 LYS 63 - HD3 LYS 61 poor 6 54 - 11 - HB3 LYS 63 - HD2 LYS 61 poor 6 54 - 11 - HG2 LYS 45 - HD3 LYS 94 lone 6 60 - 9 - 2284=1, 3858/3.4=1 HG2 LYS 45 - HD2 LYS 94 lone 6 60 - 9 - 2284=1, 3858/3.4=1 HB3 LEU 62 - HD2 LYS 61 lone 5 58 - 9 - 3.6/277=2, 3.1/5955=1 HB3 LEU 62 - HD3 LYS 61 lone 5 58 - 9 - 3.6/277=2, 3.1/5955=1 HG2 LYS 45 - HD2 LYS 61 lone 5 63 - 8 - 2284=1 HG2 LYS 45 - HD3 LYS 61 lone 5 63 - 8 - 2284=1 HB3 LYS 94 - HD3 LYS 63 poor 5 37 - 14 - HB3 LYS 94 - HD2 LYS 61 poor 5 43 - 11 - HB3 LYS 94 - HD3 LYS 61 poor 5 43 - 11 - HG13 ILE 93 - HD2 LYS 94 lone 4 58 - 8 - 3875/4.7=2, 3868/3.4=1 HG13 ILE 93 - HD3 LYS 94 lone 4 58 - 8 - 3875/4.7=2, 3868/3.4=1 HG2 LYS 94 - HD3 LYS 44 lone 4 71 - 6 - HG2 LYS 94 - HD2 LYS 44 lone 4 68 - 6 - HB3 LEU 62 - HD3 LYS 63 lone 4 51 - 7 - 5950/5.0=2, 4256/5.9=2 HB3 LEU 62 - HD3 LYS 94 lone 4 54 - 7 - HB3 LEU 62 - HD2 LYS 94 lone 4 54 - 7 - HG3 LYS 41 - HD3 LYS 45 lone 3 99 - 3 - HG3 LYS 41 - HD2 LYS 45 lone 3 99 - 3 - HB3 LYS 94 - HD3 LYS 44 lone 3 52 - 5 - HB3 LYS 94 - HD2 LYS 44 lone 3 49 - 5 - HG3 LYS 41 - HD2 LYS 61 lone 2 61 - 4 - HG3 LYS 41 - HD3 LYS 61 lone 2 61 - 4 - HG3 LYS 41 - HD3 LYS 94 lone 2 57 - 3 - HG3 LYS 41 - HD2 LYS 94 lone 2 57 - 3 - HB3 LEU 62 - HD2 LYS 45 lone 2 96 - 2 - HB3 LEU 62 - HD3 LYS 45 lone 2 97 - 2 - HG2 LYS 86 - HD2 LYS 94 lone 2 43 - 4 - 3588/3.4=1 HG2 LYS 86 - HD3 LYS 94 lone 2 43 - 4 - 3588/3.4=1 HD2 LYS 86 - HD2 LYS 94 lone 2 32 - 5 - 3606/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 2 32 - 5 - 3606/2.9=1 HB3 LYS 63 - HD3 LYS 44 lone 2 65 - 2 - HB3 LYS 63 - HD2 LYS 44 lone 2 62 - 2 - HG3 LYS 41 - HD3 LYS 44 lone 1 73 - 2 - HG2 LYS 45 - HD3 LYS 63 lone 1 56 - 2 - HG3 LYS 41 - HD2 LYS 44 lone 1 70 - 2 - HG2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 69 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 66 - 1 - HG LEU 53 - HD2 LYS 94 lone 1 48 - 2 - HG LEU 53 - HD3 LYS 94 lone 1 48 - 2 - HB3 LEU 62 - HD2 LYS 77 lone 1 96 - 1 - HG LEU 53 - HD2 LYS 77 lone 1 90 - 1 - HD2 LYS 86 - HD2 LYS 45 lone 1 65 - 1 - HD2 LYS 86 - HD3 LYS 45 lone 1 65 - 1 - HG2 LYS 86 - HD3 LYS 45 lone 1 83 - 1 - HG13 ILE 93 - HD3 LYS 63 lone 1 55 - 1 - HG2 LYS 86 - HD2 LYS 45 lone 1 83 - 1 - HD2 LYS 86 - HD2 LYS 61 lone 1 34 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 1 34 - 2 - HG3 LYS 41 - HD2 LYS 77 lone 0 99 - 0 - HG13 ILE 93 - HD2 LYS 45 lone 0 99 - 0 - HG13 ILE 93 - HD3 LYS 45 lone 0 99 - 0 - HD2 LYS 86 - HD3 LYS 63 lone 1 30 - 2 - HG2 LYS 86 - HD3 LYS 44 lone 0 55 - 1 - HB3 LYS 94 - HD2 LYS 77 lone 0 78 - 1 - HG LEU 53 - HD2 LYS 45 lone 0 90 - 0 - HG LEU 53 - HD3 LYS 45 lone 0 90 - 0 - HG2 LYS 86 - HD2 LYS 44 lone 0 53 - 1 - HD2 LYS 86 - HD3 LYS 44 lone 0 42 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 0 62 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 0 62 - 1 - HD2 LYS 86 - HD2 LYS 44 lone 0 40 - 1 - HG2 LYS 94 - HD2 LYS 77 lone 0 98 - 0 - HG2 LYS 86 - HD3 LYS 63 lone 0 40 - 1 - HG2 LYS 86 - HD3 LYS 61 lone 0 46 - 1 - HG2 LYS 86 - HD2 LYS 61 lone 0 46 - 1 - HG13 ILE 93 - HD3 LYS 44 lone 0 73 - 0 - HG13 ILE 93 - HD2 LYS 44 lone 0 70 - 0 - HG3 LYS 41 - HD3 LYS 63 lone 0 54 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 99 - 0 - HG LEU 53 - HD3 LYS 61 lone 0 52 - 0 - HG LEU 53 - HD2 LYS 61 lone 0 52 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 83 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 62 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 65 - 0 - HG LEU 53 - HD2 LYS 44 lone 0 59 - 0 - HG LEU 53 - HD3 LYS 63 lone 0 45 - 0 - Peak 2312 from cnoeabs.peaks (1.40, 1.70, 28.54 ppm; 2.81 A): 4 out of 70 assignments used, quality = 1.00: * HG3 LYS 45 + HD3 LYS 45 OK 95 100 - 95 - 2.9=89, 1.8/2284=11...(19) HG3 LYS 45 + HD2 LYS 45 OK 95 100 - 95 - 2.9=89, 1.8/2284=11...(19) HG2 LYS 61 + HD3 LYS 61 OK 45 49 - 93 - 3.0=85, 2294/1.8=3...(32) HG2 LYS 61 + HD2 LYS 61 OK 45 49 - 93 - 3.0=85, 2294/1.8=3...(32) HG3 LYS 61 - HD3 LYS 61 OK 44 47 - 93 - 3.0=85, 1.8/2294=3...(32) HG3 LYS 61 - HD2 LYS 61 OK 44 47 - 93 - 3.0=85, 1.8/2294=3...(32) QB ALA 78 - HD2 LYS 77 OK 40 100 - 40 - 2.9/355=5, 6444/3.7=4...(16) QB ALA 78 - HD3 LYS 44 OK 11 74 - 14 - 6441/1.8=2, 2.9/355=1...(4) QB ALA 78 - HD2 LYS 44 OK 10 71 - 14 - 6441/1.8=2, 2.9/355=1...(4) HG3 LYS 45 - HD3 LYS 44 poor 9 75 - 12 - 2078/3.0=1, 1.8/2284=1 HG3 LYS 45 - HD2 LYS 44 poor 9 72 - 12 - 2078/3.0=1, 1.8/2284=1 HG2 LYS 61 - HD3 LYS 44 poor 9 59 - 15 - HG3 LYS 61 - HD3 LYS 44 poor 8 57 - 15 - HG2 LYS 61 - HD2 LYS 44 poor 8 56 - 15 - HG3 LYS 61 - HD2 LYS 44 poor 8 55 - 15 - HG2 LYS 61 - HD2 LYS 45 lone 8 87 - 9 - HG2 LYS 61 - HD3 LYS 45 lone 8 87 - 9 - HG3 LYS 61 - HD2 LYS 45 lone 8 85 - 9 - HG3 LYS 61 - HD3 LYS 45 lone 8 85 - 9 - QB ALA 78 - HD2 LYS 45 lone 7 100 - 7 - QB ALA 78 - HD3 LYS 45 lone 7 100 - 7 - HG3 LYS 45 - HD3 LYS 94 poor 7 60 - 11 - 1.8/2284=1 HG3 LYS 45 - HD2 LYS 94 poor 7 60 - 11 - 1.8/2284=1 HG3 LYS 45 - HD2 LYS 61 poor 6 63 - 10 - 1.8/2284=1 HG3 LYS 45 - HD3 LYS 61 poor 6 63 - 10 - 1.8/2284=1 HG2 LYS 61 - HD3 LYS 63 poor 6 43 - 15 - ~2941=1, ~2940=1 HG3 LYS 61 - HD3 LYS 63 poor 6 41 - 15 - ~2941=1, ~2940=1 HG2 LYS 41 - HD3 LYS 45 lone 5 100 - 5 - HG2 LYS 41 - HD2 LYS 45 lone 5 100 - 5 - HG2 LYS 61 - HD2 LYS 94 lone 4 46 - 9 - HG2 LYS 61 - HD3 LYS 94 lone 4 46 - 9 - HG3 LYS 61 - HD2 LYS 94 lone 4 44 - 9 - HG3 LYS 61 - HD3 LYS 94 lone 4 44 - 9 - QB ALA 78 - HD3 LYS 61 lone 4 63 - 6 - QB ALA 78 - HD2 LYS 61 lone 4 63 - 6 - HD3 LYS 86 - HD3 LYS 94 lone 3 44 - 8 - 3616/2.9=1, ~3606=1 HD3 LYS 86 - HD2 LYS 94 lone 3 44 - 8 - 3616/2.9=1, ~3606=1 HG2 LYS 41 - HD2 LYS 61 lone 3 62 - 5 - HG2 LYS 41 - HD3 LYS 61 lone 3 62 - 5 - HG2 LYS 41 - HD2 LYS 94 lone 2 58 - 4 - HG2 LYS 41 - HD3 LYS 94 lone 2 58 - 4 - HG3 LYS 45 - HD3 LYS 63 lone 2 56 - 3 - HG2 LYS 41 - HD3 LYS 44 lone 2 74 - 2 - HG3 LYS 45 - HD2 LYS 77 lone 2 100 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 2 71 - 2 - HD3 LYS 86 - HD2 LYS 45 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 45 lone 2 85 - 2 - QB ALA 78 - HD3 LYS 63 lone 2 55 - 3 - HG2 LYS 61 - HD2 LYS 77 lone 1 87 - 2 - QB ALA 78 - HD2 LYS 94 lone 1 59 - 2 - QB ALA 78 - HD3 LYS 94 lone 1 59 - 2 - HG3 LYS 61 - HD2 LYS 77 lone 1 85 - 2 - HG2 LYS 41 - HD2 LYS 77 lone 1 100 - 1 - HD3 LYS 86 - HD2 LYS 61 lone 1 47 - 3 - HD3 LYS 86 - HD3 LYS 61 lone 1 47 - 3 - HB3 LEU 53 - HD2 LYS 77 lone 1 93 - 1 - HD3 LYS 86 - HD3 LYS 44 lone 1 57 - 2 - HD3 LYS 86 - HD2 LYS 44 lone 1 55 - 2 - HB3 LEU 53 - HD2 LYS 45 lone 1 93 - 1 - HB3 LEU 53 - HD3 LYS 45 lone 1 93 - 1 - HD3 LYS 86 - HD3 LYS 63 lone 1 41 - 2 - HD3 LYS 86 - HD2 LYS 77 lone 1 85 - 1 - HB3 LEU 53 - HD3 LYS 61 lone 1 54 - 1 - HB3 LEU 53 - HD2 LYS 61 lone 1 54 - 1 - HB3 LEU 53 - HD2 LYS 94 lone 1 51 - 1 - HB3 LEU 53 - HD3 LYS 94 lone 1 51 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 55 - 1 - HB3 LEU 53 - HD3 LYS 44 lone 0 65 - 1 - HB3 LEU 53 - HD3 LYS 63 lone 0 48 - 1 - HB3 LEU 53 - HD2 LYS 44 lone 0 62 - 1 - Peak 2313 from cnoeabs.peaks (1.70, 1.70, 28.54 ppm; diagonal): 5 out of 10 assignments used, quality = 1.00: HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD3 LYS 45 + HD3 LYS 45 OK 100 100 - 100 HD2 LYS 45 + HD2 LYS 45 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 53 53 - 100 HD2 LYS 44 + HD2 LYS 44 OK 49 49 - 100 HD3 LYS 61 - HD3 LYS 61 OK 43 43 - 100 HD2 LYS 61 - HD2 LYS 61 OK 43 43 - 100 HD3 LYS 63 - HD3 LYS 63 OK 37 37 - 100 HD3 LYS 94 - HD3 LYS 94 OK 34 34 - 100 HD2 LYS 94 - HD2 LYS 94 OK 34 34 - 100 Reference assignment not found: HD2 LYS 45 - HD3 LYS 45 Peak 2314 from cnoeabs.peaks (1.70, 1.70, 28.54 ppm; diagonal): 7 out of 10 assignments used, quality = 1.00: * HD3 LYS 45 + HD3 LYS 45 OK 100 100 - 100 HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD2 LYS 45 + HD2 LYS 45 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 57 57 - 100 HD2 LYS 44 + HD2 LYS 44 OK 53 53 - 100 HD3 LYS 61 + HD3 LYS 61 OK 46 46 - 100 HD2 LYS 61 + HD2 LYS 61 OK 46 46 - 100 HD3 LYS 63 - HD3 LYS 63 OK 40 40 - 100 HD3 LYS 94 - HD3 LYS 94 OK 37 37 - 100 HD2 LYS 94 - HD2 LYS 94 OK 37 37 - 100 Peak 2315 from cnoeabs.peaks (2.99, 1.70, 28.54 ppm; 2.60 A): 6 out of 110 assignments used, quality = 1.00: HE3 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE2 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) * HE2 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 61 + HD2 LYS 61 OK 47 60 - 79 - 2.9=69, 1.8/2830=2...(18) HE3 LYS 61 + HD3 LYS 61 OK 47 60 - 79 - 2.9=69, 1.8/2830=2...(18) HE2 LYS 94 - HD3 LYS 94 OK 40 51 - 79 - 3.0=67, 3.7/3891=3...(18) HE2 LYS 94 - HD2 LYS 94 OK 40 51 - 79 - 3.0=67, 3.7/3891=3...(18) HE2 LYS 44 - HD3 LYS 44 OK 40 50 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD3 LYS 44 OK 38 48 - 80 - 3.0=67, 3.9/2199=3...(24) HE2 LYS 44 - HD2 LYS 44 OK 38 47 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD2 LYS 44 OK 36 46 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 94 - HD2 LYS 94 OK 36 46 - 80 - 3.0=67, 3.7/3890=3...(18) HE3 LYS 94 - HD3 LYS 94 OK 36 46 - 80 - 3.0=67, 3.7/3890=3...(18) HE3 LYS 63 - HD3 LYS 63 OK 36 47 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE2 LYS 63 - HD3 LYS 63 OK 35 45 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE3 LYS 63 - HD2 LYS 94 poor 10 50 - 20 - 3862/3.4=1 HE3 LYS 63 - HD3 LYS 94 poor 10 50 - 20 - 3862/3.4=1 HE2 LYS 63 - HD2 LYS 94 poor 10 48 - 20 - 3862/3.4=1 HE2 LYS 63 - HD3 LYS 94 poor 10 48 - 20 - 3862/3.4=1 HE3 LYS 61 - HD3 LYS 44 poor 8 71 - 11 - HE3 LYS 61 - HD2 LYS 44 poor 7 68 - 11 - HE3 LYS 45 - HD3 LYS 94 poor 6 60 - 10 - HE2 LYS 45 - HD2 LYS 94 poor 6 60 - 10 - HE2 LYS 45 - HD3 LYS 94 poor 6 60 - 10 - HE3 LYS 45 - HD2 LYS 94 poor 6 60 - 10 - HE3 LYS 45 - HD3 LYS 44 lone 6 75 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 6 75 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 6 72 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 72 - 8 - HE3 LYS 63 - HD2 LYS 61 poor 6 53 - 11 - HE3 LYS 63 - HD3 LYS 61 poor 6 53 - 11 - HE2 LYS 63 - HD2 LYS 61 poor 5 52 - 11 - HE2 LYS 63 - HD3 LYS 61 poor 5 52 - 11 - HE3 LYS 61 - HD2 LYS 45 lone 5 98 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 5 98 - 5 - HE2 LYS 94 - HD3 LYS 63 lone 5 48 - 10 - 2905/3.9=1 HE3 LYS 61 - HD3 LYS 94 lone 4 56 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 4 56 - 8 - HE3 LYS 94 - HD3 LYS 63 poor 4 43 - 10 - 2905/3.9=1 HE3 LYS 45 - HD3 LYS 61 lone 4 63 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 4 63 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 4 63 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 4 63 - 6 - HE2 LYS 94 - HD3 LYS 45 lone 4 93 - 4 - HE2 LYS 94 - HD2 LYS 45 lone 4 93 - 4 - HE2 LYS 44 - HD3 LYS 45 lone 4 76 - 5 - HE2 LYS 44 - HD2 LYS 45 lone 4 76 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 4 87 - 4 - HE3 LYS 44 - HD3 LYS 45 lone 4 73 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 4 87 - 4 - HE3 LYS 44 - HD2 LYS 45 lone 4 73 - 5 - HE2 LYS 44 - HD3 LYS 61 lone 4 41 - 9 - HE2 LYS 44 - HD2 LYS 61 lone 4 41 - 9 - HE3 LYS 63 - HD2 LYS 45 lone 4 92 - 4 - HE3 LYS 44 - HD2 LYS 61 lone 4 39 - 9 - HE3 LYS 44 - HD3 LYS 61 lone 4 39 - 9 - HE3 LYS 63 - HD3 LYS 45 lone 4 92 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 4 90 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 4 90 - 4 - HE2 LYS 94 - HD3 LYS 61 lone 3 54 - 5 - HE2 LYS 94 - HD2 LYS 61 lone 3 54 - 5 - HE2 LYS 35 - HD3 LYS 44 lone 3 44 - 7 - HE3 LYS 35 - HD3 LYS 44 lone 3 44 - 7 - HE3 LYS 35 - HD2 LYS 44 lone 3 42 - 7 - HE2 LYS 35 - HD2 LYS 44 lone 3 42 - 7 - HE3 LYS 94 - HD2 LYS 61 lone 3 49 - 5 - HE3 LYS 94 - HD3 LYS 61 lone 3 49 - 5 - HE2 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HE3 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 2 53 - 4 - HE3 LYS 35 - HD3 LYS 61 lone 2 36 - 5 - HE3 LYS 35 - HD2 LYS 61 lone 2 36 - 5 - HE2 LYS 35 - HD2 LYS 61 lone 2 36 - 5 - HE2 LYS 35 - HD3 LYS 61 lone 2 36 - 5 - HE2 LYS 44 - HD2 LYS 94 lone 2 38 - 5 - HE2 LYS 44 - HD3 LYS 94 lone 2 38 - 5 - HE3 LYS 44 - HD3 LYS 94 lone 2 37 - 5 - HE3 LYS 44 - HD2 LYS 94 lone 2 37 - 5 - HE2 LYS 94 - HD3 LYS 44 lone 2 65 - 3 - HE3 LYS 63 - HD2 LYS 77 lone 2 92 - 2 - HE2 LYS 94 - HD2 LYS 44 lone 2 62 - 3 - HE2 LYS 63 - HD2 LYS 77 lone 2 90 - 2 - HE3 LYS 94 - HD3 LYS 44 lone 2 59 - 3 - HE3 LYS 94 - HD2 LYS 44 lone 2 56 - 3 - HE3 LYS 63 - HD3 LYS 44 lone 1 64 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 1 62 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 1 61 - 2 - HE2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE2 LYS 63 - HD2 LYS 44 lone 1 59 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 76 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 73 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 98 - 1 - HE3 LYS 35 - HD2 LYS 94 lone 1 34 - 2 - HE3 LYS 35 - HD3 LYS 94 lone 1 34 - 2 - HE2 LYS 35 - HD2 LYS 94 lone 1 34 - 2 - HE2 LYS 35 - HD3 LYS 94 lone 1 34 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 1 36 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 93 - 0 - HE3 LYS 44 - HD3 LYS 63 lone 0 34 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 87 - 0 - HE3 LYS 35 - HD3 LYS 63 lone 0 31 - 1 - HE2 LYS 35 - HD3 LYS 63 lone 0 31 - 1 - Peak 2316 from cnoeabs.peaks (2.99, 1.70, 28.54 ppm; 2.60 A): 6 out of 110 assignments used, quality = 1.00: HE3 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE2 LYS 45 + HD2 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) * HE3 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE2 LYS 45 + HD3 LYS 45 OK 78 100 - 78 - 3.0=66, 3.5/2284=5...(17) HE3 LYS 61 + HD2 LYS 61 OK 47 60 - 79 - 2.9=69, 1.8/2830=2...(18) HE3 LYS 61 + HD3 LYS 61 OK 47 60 - 79 - 2.9=69, 1.8/2830=2...(18) HE2 LYS 94 - HD3 LYS 94 OK 40 51 - 79 - 3.0=67, 3.7/3891=3...(18) HE2 LYS 94 - HD2 LYS 94 OK 40 51 - 79 - 3.0=67, 3.7/3891=3...(18) HE2 LYS 44 - HD3 LYS 44 OK 40 50 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD3 LYS 44 OK 38 48 - 80 - 3.0=67, 3.9/2199=3...(24) HE2 LYS 44 - HD2 LYS 44 OK 38 47 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 44 - HD2 LYS 44 OK 36 46 - 80 - 3.0=67, 3.9/2199=3...(24) HE3 LYS 94 - HD2 LYS 94 OK 36 46 - 80 - 3.0=67, 3.7/3890=3...(18) HE3 LYS 94 - HD3 LYS 94 OK 36 46 - 80 - 3.0=67, 3.7/3890=3...(18) HE3 LYS 63 - HD3 LYS 63 OK 36 47 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE2 LYS 63 - HD3 LYS 63 OK 35 45 - 77 - 3.0=68, ~2941=2, ~2940=2...(10) HE3 LYS 63 - HD2 LYS 94 poor 10 50 - 20 - 3862/3.4=1 HE3 LYS 63 - HD3 LYS 94 poor 10 50 - 20 - 3862/3.4=1 HE2 LYS 63 - HD2 LYS 94 poor 10 48 - 20 - 3862/3.4=1 HE2 LYS 63 - HD3 LYS 94 poor 10 48 - 20 - 3862/3.4=1 HE3 LYS 61 - HD3 LYS 44 poor 8 71 - 11 - HE3 LYS 61 - HD2 LYS 44 poor 7 68 - 11 - HE3 LYS 45 - HD3 LYS 94 poor 6 60 - 10 - HE2 LYS 45 - HD2 LYS 94 poor 6 60 - 10 - HE2 LYS 45 - HD3 LYS 94 poor 6 60 - 10 - HE3 LYS 45 - HD2 LYS 94 poor 6 60 - 10 - HE3 LYS 45 - HD3 LYS 44 lone 6 75 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 6 75 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 6 72 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 72 - 8 - HE3 LYS 63 - HD2 LYS 61 poor 6 53 - 11 - HE3 LYS 63 - HD3 LYS 61 poor 6 53 - 11 - HE2 LYS 63 - HD2 LYS 61 poor 5 52 - 11 - HE2 LYS 63 - HD3 LYS 61 poor 5 52 - 11 - HE3 LYS 61 - HD2 LYS 45 lone 5 98 - 5 - HE3 LYS 61 - HD3 LYS 45 lone 5 98 - 5 - HE2 LYS 94 - HD3 LYS 63 lone 5 48 - 10 - 2905/3.9=1 HE3 LYS 61 - HD3 LYS 94 lone 4 56 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 4 56 - 8 - HE3 LYS 94 - HD3 LYS 63 poor 4 43 - 10 - 2905/3.9=1 HE3 LYS 45 - HD3 LYS 61 lone 4 63 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 4 63 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 4 63 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 4 63 - 6 - HE2 LYS 94 - HD3 LYS 45 lone 4 93 - 4 - HE2 LYS 94 - HD2 LYS 45 lone 4 93 - 4 - HE2 LYS 44 - HD3 LYS 45 lone 4 76 - 5 - HE2 LYS 44 - HD2 LYS 45 lone 4 76 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 4 87 - 4 - HE3 LYS 44 - HD3 LYS 45 lone 4 73 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 4 87 - 4 - HE3 LYS 44 - HD2 LYS 45 lone 4 73 - 5 - HE2 LYS 44 - HD3 LYS 61 lone 4 41 - 9 - HE2 LYS 44 - HD2 LYS 61 lone 4 41 - 9 - HE3 LYS 63 - HD2 LYS 45 lone 4 92 - 4 - HE3 LYS 44 - HD2 LYS 61 lone 4 39 - 9 - HE3 LYS 44 - HD3 LYS 61 lone 4 39 - 9 - HE3 LYS 63 - HD3 LYS 45 lone 4 92 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 4 90 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 4 90 - 4 - HE2 LYS 94 - HD3 LYS 61 lone 3 54 - 5 - HE2 LYS 94 - HD2 LYS 61 lone 3 54 - 5 - HE2 LYS 35 - HD3 LYS 44 lone 3 44 - 7 - HE3 LYS 35 - HD3 LYS 44 lone 3 44 - 7 - HE3 LYS 35 - HD2 LYS 44 lone 3 42 - 7 - HE2 LYS 35 - HD2 LYS 44 lone 3 42 - 7 - HE3 LYS 94 - HD2 LYS 61 lone 3 49 - 5 - HE3 LYS 94 - HD3 LYS 61 lone 3 49 - 5 - HE2 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HE3 LYS 45 - HD3 LYS 63 lone 3 56 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 2 53 - 4 - HE3 LYS 35 - HD3 LYS 61 lone 2 36 - 5 - HE3 LYS 35 - HD2 LYS 61 lone 2 36 - 5 - HE2 LYS 35 - HD2 LYS 61 lone 2 36 - 5 - HE2 LYS 35 - HD3 LYS 61 lone 2 36 - 5 - HE2 LYS 44 - HD2 LYS 94 lone 2 38 - 5 - HE2 LYS 44 - HD3 LYS 94 lone 2 38 - 5 - HE3 LYS 44 - HD3 LYS 94 lone 2 37 - 5 - HE3 LYS 44 - HD2 LYS 94 lone 2 37 - 5 - HE2 LYS 94 - HD3 LYS 44 lone 2 65 - 3 - HE3 LYS 63 - HD2 LYS 77 lone 2 92 - 2 - HE2 LYS 94 - HD2 LYS 44 lone 2 62 - 3 - HE2 LYS 63 - HD2 LYS 77 lone 2 90 - 2 - HE3 LYS 94 - HD3 LYS 44 lone 2 59 - 3 - HE3 LYS 94 - HD2 LYS 44 lone 2 56 - 3 - HE3 LYS 63 - HD3 LYS 44 lone 1 64 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 1 62 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 1 61 - 2 - HE2 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 1 100 - 1 - HE2 LYS 63 - HD2 LYS 44 lone 1 59 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 76 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 73 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 98 - 1 - HE3 LYS 35 - HD2 LYS 94 lone 1 34 - 2 - HE3 LYS 35 - HD3 LYS 94 lone 1 34 - 2 - HE2 LYS 35 - HD2 LYS 94 lone 1 34 - 2 - HE2 LYS 35 - HD3 LYS 94 lone 1 34 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 1 36 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 93 - 0 - HE3 LYS 44 - HD3 LYS 63 lone 0 34 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 68 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 68 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 68 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 87 - 0 - HE3 LYS 35 - HD3 LYS 63 lone 0 31 - 1 - HE2 LYS 35 - HD3 LYS 63 lone 0 31 - 1 - Peak 2317 from cnoeabs.peaks (8.31, 2.99, 41.88 ppm; 5.36 A): 2 out of 27 assignments used, quality = 0.98: H LYS 45 + HE3 LYS 45 OK 87 100 - 87 - 7.3=40, 790/3.5=26...(19) * H LYS 45 + HE2 LYS 45 OK 87 100 - 87 - 7.3=40, 790/3.5=26...(19) H LYS 45 - HE2 LYS 44 OK 39 63 - 62 - 192/3.9=25, 189/4.8=13...(12) H LYS 45 - HE3 LYS 44 OK 37 59 - 62 - 192/3.9=25, 189/4.8=13...(12) H GLY 64 - HE3 LYS 63 OK 34 61 - 56 - 289/6.3=18, 4261/4.8=14...(10) H GLY 64 - HE2 LYS 63 OK 33 59 - 56 - 289/6.3=18, 4261/4.8=14...(10) H LYS 45 - HE3 LYS 61 OK 30 97 - 32 - 791/3.9=5, 791/3.9=5...(12) H ASP 32 - HE3 LYS 45 OK 19 100 - 19 - 2277/3.5=5, 2287/3.5=3...(5) H ASP 32 - HE2 LYS 45 OK 19 100 - 19 - 2277/3.5=5, 2287/3.5=3...(5) H GLY 64 - HE2 LYS 45 OK 16 87 - 18 - 2277/3.5=3, 4.7/2905=2...(5) H GLY 64 - HE3 LYS 45 OK 16 87 - 18 - 2277/3.5=3, 4.7/2905=2...(5) H LYS 45 - HE3 LYS 63 OK 14 77 - 18 - 790/4.8=2, 4261/4.8=2...(4) H LYS 45 - HE2 LYS 63 OK 13 75 - 18 - 790/4.8=2, 4261/4.8=2...(4) H GLY 64 - HE2 LYS 94 OK 13 58 - 22 - 4.7/2915=4, 4.7/2905=4...(6) H GLY 64 - HE3 LYS 61 OK 12 80 - 16 - 5983/6.6=3, 292/3.9=2...(6) H LYS 45 - HE2 LYS 94 OK 12 74 - 16 - 790/3.7=3, 192/4.9=2...(4) H GLY 64 - HE3 LYS 94 OK 11 50 - 22 - 4.7/2915=4, 4.7/2905=4...(6) H LYS 45 - HE3 LYS 94 poor 10 64 - 15 - 790/3.7=3, 192/4.9=2...(4) H ASP 32 - HE2 LYS 44 poor 10 63 - 15 - 1153/6.3=3, 111/3.9=2...(4) H ASP 32 - HE3 LYS 44 poor 9 59 - 15 - 1153/6.3=3, 111/3.9=2...(4) H ASP 32 - HE3 LYS 61 lone 9 97 - 9 - ~5134=1 H ASP 32 - HE3 LYS 63 lone 8 77 - 10 - 1154/6.9=2, ~5093=1, 4261/4.8=1 H ASP 32 - HE2 LYS 63 lone 8 75 - 10 - 1154/6.9=2, ~5093=1, 4261/4.8=1 H ASP 32 - HE2 LYS 94 lone 4 74 - 5 - H ASP 32 - HE3 LYS 94 lone 3 64 - 5 - H GLY 64 - HE2 LYS 44 lone 3 48 - 5 - H GLY 64 - HE3 LYS 44 lone 2 45 - 5 - Peak 2318 from cnoeabs.peaks (4.24, 2.99, 41.88 ppm; 4.43 A): 3 out of 72 assignments used, quality = 0.97: HA LYS 45 + HE3 LYS 45 OK 76 100 - 76 - 6.2=36, 2252/3.5=13...(30) * HA LYS 45 + HE2 LYS 45 OK 76 100 - 76 - 6.2=36, 2252/3.5=13...(30) HA LYS 63 + HE3 LYS 63 OK 39 44 - 90 - 6.3=35, ~2912=11...(39) HA LYS 63 - HE2 LYS 63 OK 37 42 - 90 - 6.3=35, ~2912=11...(39) HA LYS 45 - HE3 LYS 61 OK 20 97 - 21 - 2252/3.9=2, 2252/3.9=2...(10) HA3 GLY 64 - HE3 LYS 63 OK 20 77 - 27 - 5986/4.8=5, 4.9/2895=4...(10) HA3 GLY 64 - HE2 LYS 63 OK 20 74 - 27 - 5986/4.8=5, 4.9/2895=4...(10) HA LYS 63 - HE2 LYS 94 OK 17 41 - 42 - 3.0/2905=4, 3.0/2915=4...(18) HA LYS 45 - HE2 LYS 44 OK 17 63 - 27 - ~4182=2, ~4181=2, ~193=2...(13) HA LYS 63 - HE3 LYS 45 OK 17 65 - 25 - 3.0/2905=2, 3.0/2915=2...(8) HA LYS 63 - HE2 LYS 45 OK 17 65 - 25 - 3.0/2905=2, 3.0/2915=2...(8) HA LYS 45 - HE3 LYS 44 OK 16 59 - 27 - ~4182=2, ~4181=2, ~193=2...(13) HA LYS 63 - HE3 LYS 94 OK 14 35 - 42 - 3.0/2905=4, 3.0/2915=4...(18) HA LYS 63 - HE3 LYS 61 OK 14 60 - 24 - 2893/2.9=2, 2893/2.9=2...(11) HA ILE 37 - HE3 LYS 61 OK 10 80 - 13 - ~5286=3, ~5266=1...(4) HA LYS 45 - HE3 LYS 63 poor 9 77 - 11 - HA LYS 45 - HE2 LYS 63 poor 8 75 - 11 - HA LYS 45 - HE2 LYS 94 poor 8 74 - 11 - HA3 GLY 64 - HE2 LYS 45 lone 8 100 - 8 - 4.9/2895=1 HA3 GLY 64 - HE3 LYS 45 lone 8 100 - 8 - 4.9/2895=1 HA3 GLY 64 - HE3 LYS 61 lone 7 96 - 8 - 4.9/2895=1 HA3 GLY 64 - HE2 LYS 94 lone 7 73 - 10 - 4.9/2895=2, 5987/4.9=1 HA LYS 45 - HE3 LYS 94 poor 7 64 - 11 - HA3 GLY 85 - HE2 LYS 94 poor 7 56 - 12 - 6644/6.5=5, 6655/3.7=3 HA3 GLY 64 - HE3 LYS 94 lone 6 64 - 10 - 4.9/2895=2, 5987/4.9=1 HA3 GLY 85 - HE3 LYS 94 poor 6 48 - 12 - 6644/6.5=5, 6655/3.7=3 HA3 GLY 85 - HE3 LYS 45 lone 3 85 - 4 - 6655/3.5=1 HA3 GLY 85 - HE2 LYS 45 lone 3 85 - 4 - 6655/3.5=1 HA3 GLY 85 - HE3 LYS 63 lone 3 59 - 5 - HA3 GLY 85 - HE2 LYS 63 lone 3 57 - 5 - HA3 GLY 64 - HE2 LYS 44 lone 2 62 - 4 - HA VAL 68 - HE3 LYS 63 lone 2 77 - 3 - HA VAL 68 - HE2 LYS 63 lone 2 75 - 3 - HA3 GLY 64 - HE3 LYS 44 lone 2 59 - 4 - HA ILE 37 - HE2 LYS 45 lone 2 87 - 2 - HA ILE 37 - HE3 LYS 45 lone 2 87 - 2 - HA ILE 37 - HE2 LYS 94 lone 2 58 - 4 - HA ILE 37 - HE2 LYS 44 lone 2 48 - 4 - HA ALA 79 - HE3 LYS 61 lone 2 67 - 3 - HA ILE 37 - HE3 LYS 44 lone 2 45 - 4 - HA LYS 63 - HE2 LYS 44 lone 2 34 - 5 - HA GLU 58 - HE3 LYS 61 lone 2 74 - 2 - HA ILE 37 - HE3 LYS 94 lone 2 50 - 4 - HA LYS 63 - HE3 LYS 44 lone 2 32 - 5 - HA3 GLY 85 - HE3 LYS 61 lone 2 78 - 2 - HA ILE 37 - HE3 LYS 63 lone 2 61 - 3 - HA ILE 37 - HE2 LYS 63 lone 2 59 - 3 - HA VAL 68 - HE3 LYS 61 lone 2 96 - 2 - HA3 GLY 85 - HE2 LYS 44 lone 2 47 - 3 - HA ALA 79 - HE2 LYS 45 lone 2 73 - 2 - HA ALA 79 - HE3 LYS 45 lone 2 73 - 2 - HA VAL 68 - HE3 LYS 45 lone 1 100 - 1 - HA VAL 68 - HE2 LYS 45 lone 1 100 - 1 - HA3 GLY 85 - HE3 LYS 44 lone 2 44 - 3 - HA ALA 79 - HE3 LYS 63 lone 1 50 - 3 - HA VAL 68 - HE2 LYS 94 lone 1 74 - 2 - HA ALA 79 - HE2 LYS 63 lone 1 48 - 3 - HA GLU 58 - HE3 LYS 45 lone 1 81 - 2 - HA GLU 58 - HE2 LYS 45 lone 1 81 - 2 - HA GLU 58 - HE3 LYS 63 lone 1 55 - 2 - HA VAL 68 - HE3 LYS 94 lone 1 64 - 2 - HA GLU 58 - HE2 LYS 63 lone 1 53 - 2 - HA VAL 68 - HE2 LYS 44 lone 1 62 - 2 - HA VAL 68 - HE3 LYS 44 lone 1 59 - 2 - HA GLU 58 - HE2 LYS 94 lone 1 52 - 2 - HA ALA 79 - HE2 LYS 44 lone 1 39 - 2 - HA ALA 79 - HE3 LYS 44 lone 1 37 - 2 - HA GLU 58 - HE3 LYS 94 lone 1 45 - 2 - HA ALA 79 - HE2 LYS 94 lone 1 47 - 2 - HA GLU 58 - HE2 LYS 44 lone 1 44 - 2 - HA GLU 58 - HE3 LYS 44 lone 1 41 - 2 - HA ALA 79 - HE3 LYS 94 lone 1 40 - 2 - Peak 2319 from cnoeabs.peaks (1.95, 2.99, 41.88 ppm; 4.69 A): 4 out of 81 assignments used, quality = 1.00: HB2 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) * HB2 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB2 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB VAL 95 - HE2 LYS 94 OK 16 73 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB3 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB VAL 95 - HE3 LYS 94 OK 14 64 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB2 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB3 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB2 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB3 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HB3 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HG3 PRO 49 - HE3 LYS 63 poor 8 72 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HG3 PRO 49 - HE2 LYS 63 poor 8 70 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HB2 LYS 77 - HE3 LYS 63 poor 5 41 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HB2 LYS 77 - HE2 LYS 63 poor 5 40 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HG3 PRO 49 - HE2 LYS 44 lone 5 58 - 8 - 7089/6.3=3, ~7192=1 HG3 PRO 49 - HE3 LYS 44 lone 4 55 - 8 - 7089/6.3=3, ~7192=1 HB VAL 95 - HE3 LYS 63 lone 4 77 - 5 - 3.9/445=2 HB VAL 95 - HE2 LYS 63 lone 4 74 - 5 - 3.9/445=2 HB2 LYS 77 - HE2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HE3 LYS 45 lone 4 63 - 6 - HB2 GLU 65 - HE3 LYS 63 lone 4 44 - 9 - 7114/4.8=6, 7101/4.8=2 HB VAL 95 - HE3 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB VAL 95 - HE2 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB2 GLU 65 - HE2 LYS 63 lone 4 42 - 9 - 7114/4.8=6, 7101/4.8=2 HG2 GLN 19 - HE2 LYS 94 lone 3 45 - 8 - 4734/4.9=6 HB VAL 95 - HE3 LYS 61 lone 3 96 - 3 - 3.9/445=1 HG3 PRO 73 - HE3 LYS 63 lone 3 77 - 4 - ~2937=2 HG3 PRO 73 - HE2 LYS 63 lone 3 75 - 4 - ~2937=2 HB2 GLU 65 - HE2 LYS 94 lone 3 41 - 8 - 7114/4.9=3, ~6018=2 HG3 PRO 49 - HE2 LYS 94 lone 3 69 - 4 - ~7192=1 HG2 GLN 19 - HE3 LYS 94 lone 3 38 - 8 - 4734/4.9=6 HG3 PRO 49 - HE3 LYS 45 lone 3 97 - 3 - HG3 PRO 49 - HE2 LYS 45 lone 3 97 - 3 - HB2 GLU 65 - HE3 LYS 94 lone 3 35 - 8 - 7114/4.9=3, ~6018=2 HB2 LYS 77 - HE3 LYS 61 lone 3 57 - 4 - HG3 PRO 49 - HE3 LYS 94 lone 3 60 - 4 - ~7192=1 HB2 LYS 77 - HE2 LYS 44 lone 2 32 - 8 - ~3256=1 HG3 PRO 49 - HE3 LYS 61 lone 2 92 - 3 - HB3 GLU 28 - HE2 LYS 44 lone 2 32 - 8 - 4998/3.9=2 HB2 LYS 77 - HE3 LYS 44 lone 2 30 - 8 - ~3256=1 HB3 GLU 28 - HE3 LYS 44 lone 2 30 - 8 - 4998/3.9=2 HB3 GLU 28 - HE3 LYS 63 lone 2 41 - 5 - HG2 GLN 19 - HE3 LYS 63 lone 2 48 - 4 - 4734/4.8=2 HB3 GLU 28 - HE2 LYS 63 lone 2 40 - 5 - HG2 GLN 19 - HE2 LYS 63 lone 2 46 - 4 - 4734/4.8=2 HG3 PRO 73 - HE2 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 61 lone 2 97 - 2 - HG2 GLN 19 - HE2 LYS 45 lone 2 71 - 2 - HG2 GLN 19 - HE3 LYS 45 lone 2 71 - 2 - HB2 GLU 65 - HE3 LYS 45 lone 2 65 - 2 - HB2 GLU 65 - HE2 LYS 45 lone 2 65 - 2 - HB3 GLU 28 - HE3 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE2 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HE2 LYS 94 lone 1 74 - 2 - HB VAL 95 - HE2 LYS 44 lone 1 62 - 2 - HB2 GLU 65 - HE3 LYS 61 lone 1 60 - 2 - HB VAL 95 - HE3 LYS 44 lone 1 59 - 2 - HG2 GLN 19 - HE3 LYS 61 lone 1 65 - 2 - HG3 PRO 73 - HE3 LYS 94 lone 1 64 - 2 - HG3 PRO 73 - HE2 LYS 44 lone 1 63 - 2 - HG3 PRO 73 - HE3 LYS 44 lone 1 59 - 2 - HB2 LYS 77 - HE2 LYS 94 lone 1 39 - 2 - HB2 LYS 77 - HE3 LYS 94 lone 1 33 - 2 - HB3 GLU 28 - HE2 LYS 94 lone 1 39 - 2 - HB2 GLU 65 - HE2 LYS 44 lone 1 34 - 2 - HG2 GLN 19 - HE2 LYS 44 lone 1 37 - 2 - HB2 GLU 65 - HE3 LYS 44 lone 1 32 - 2 - HG2 GLN 19 - HE3 LYS 44 lone 1 35 - 2 - HB3 GLU 28 - HE3 LYS 94 lone 1 33 - 2 - Peak 2320 from cnoeabs.peaks (1.95, 2.99, 41.88 ppm; 4.69 A): 4 out of 81 assignments used, quality = 1.00: HB2 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) * HB3 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB2 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB2 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB VAL 95 - HE2 LYS 94 OK 16 73 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB3 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB VAL 95 - HE3 LYS 94 OK 14 64 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB2 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB3 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB2 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB3 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HB3 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HG3 PRO 49 - HE3 LYS 63 poor 8 72 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HG3 PRO 49 - HE2 LYS 63 poor 8 70 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HB2 LYS 77 - HE3 LYS 63 poor 5 41 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HB2 LYS 77 - HE2 LYS 63 poor 5 40 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HG3 PRO 49 - HE2 LYS 44 lone 5 58 - 8 - 7089/6.3=3, ~7192=1 HG3 PRO 49 - HE3 LYS 44 lone 4 55 - 8 - 7089/6.3=3, ~7192=1 HB VAL 95 - HE3 LYS 63 lone 4 77 - 5 - 3.9/445=2 HB VAL 95 - HE2 LYS 63 lone 4 74 - 5 - 3.9/445=2 HB2 LYS 77 - HE2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HE3 LYS 45 lone 4 63 - 6 - HB2 GLU 65 - HE3 LYS 63 lone 4 44 - 9 - 7114/4.8=6, 7101/4.8=2 HB VAL 95 - HE3 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB VAL 95 - HE2 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB2 GLU 65 - HE2 LYS 63 lone 4 42 - 9 - 7114/4.8=6, 7101/4.8=2 HG2 GLN 19 - HE2 LYS 94 lone 3 45 - 8 - 4734/4.9=6 HB VAL 95 - HE3 LYS 61 lone 3 96 - 3 - 3.9/445=1 HG3 PRO 73 - HE3 LYS 63 lone 3 77 - 4 - ~2937=2 HG3 PRO 73 - HE2 LYS 63 lone 3 75 - 4 - ~2937=2 HB2 GLU 65 - HE2 LYS 94 lone 3 41 - 8 - 7114/4.9=3, ~6018=2 HG3 PRO 49 - HE2 LYS 94 lone 3 69 - 4 - ~7192=1 HG2 GLN 19 - HE3 LYS 94 lone 3 38 - 8 - 4734/4.9=6 HG3 PRO 49 - HE3 LYS 45 lone 3 97 - 3 - HG3 PRO 49 - HE2 LYS 45 lone 3 97 - 3 - HB2 GLU 65 - HE3 LYS 94 lone 3 35 - 8 - 7114/4.9=3, ~6018=2 HB2 LYS 77 - HE3 LYS 61 lone 3 57 - 4 - HG3 PRO 49 - HE3 LYS 94 lone 3 60 - 4 - ~7192=1 HB2 LYS 77 - HE2 LYS 44 lone 2 32 - 8 - ~3256=1 HG3 PRO 49 - HE3 LYS 61 lone 2 92 - 3 - HB3 GLU 28 - HE2 LYS 44 lone 2 32 - 8 - 4998/3.9=2 HB2 LYS 77 - HE3 LYS 44 lone 2 30 - 8 - ~3256=1 HB3 GLU 28 - HE3 LYS 44 lone 2 30 - 8 - 4998/3.9=2 HB3 GLU 28 - HE3 LYS 63 lone 2 41 - 5 - HG2 GLN 19 - HE3 LYS 63 lone 2 48 - 4 - 4734/4.8=2 HB3 GLU 28 - HE2 LYS 63 lone 2 40 - 5 - HG2 GLN 19 - HE2 LYS 63 lone 2 46 - 4 - 4734/4.8=2 HG3 PRO 73 - HE2 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 61 lone 2 97 - 2 - HG2 GLN 19 - HE2 LYS 45 lone 2 71 - 2 - HG2 GLN 19 - HE3 LYS 45 lone 2 71 - 2 - HB2 GLU 65 - HE3 LYS 45 lone 2 65 - 2 - HB2 GLU 65 - HE2 LYS 45 lone 2 65 - 2 - HB3 GLU 28 - HE3 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE2 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HE2 LYS 94 lone 1 74 - 2 - HB VAL 95 - HE2 LYS 44 lone 1 62 - 2 - HB2 GLU 65 - HE3 LYS 61 lone 1 60 - 2 - HB VAL 95 - HE3 LYS 44 lone 1 59 - 2 - HG2 GLN 19 - HE3 LYS 61 lone 1 65 - 2 - HG3 PRO 73 - HE3 LYS 94 lone 1 64 - 2 - HG3 PRO 73 - HE2 LYS 44 lone 1 63 - 2 - HG3 PRO 73 - HE3 LYS 44 lone 1 59 - 2 - HB2 LYS 77 - HE2 LYS 94 lone 1 39 - 2 - HB2 LYS 77 - HE3 LYS 94 lone 1 33 - 2 - HB3 GLU 28 - HE2 LYS 94 lone 1 39 - 2 - HB2 GLU 65 - HE2 LYS 44 lone 1 34 - 2 - HG2 GLN 19 - HE2 LYS 44 lone 1 37 - 2 - HB2 GLU 65 - HE3 LYS 44 lone 1 32 - 2 - HG2 GLN 19 - HE3 LYS 44 lone 1 35 - 2 - HB3 GLU 28 - HE3 LYS 94 lone 1 33 - 2 - Peak 2321 from cnoeabs.peaks (1.51, 2.99, 41.88 ppm; 3.10 A): 6 out of 90 assignments used, quality = 1.00: * HG2 LYS 45 + HE2 LYS 45 OK 88 100 - 88 - 3.5=69, 2284/3.0=9...(36) HG2 LYS 45 + HE3 LYS 45 OK 88 100 - 88 - 3.5=69, 2284/3.0=9...(36) HG2 LYS 94 + HE2 LYS 94 OK 59 70 - 85 - 3.7=60, 3881/3.0=8...(33) HB3 LYS 63 + HE3 LYS 63 OK 53 67 - 78 - 4.8=27, 2912/3.0=12...(37) HG2 LYS 94 + HE3 LYS 94 OK 51 60 - 85 - 3.7=60, 3880/3.0=8...(33) HB3 LYS 63 + HE2 LYS 63 OK 51 65 - 78 - 4.8=27, 2912/3.0=12...(37) HB3 LYS 94 - HE2 LYS 94 OK 36 51 - 71 - 4.9=25, 3887/3.7=9...(29) HB3 LYS 94 - HE3 LYS 94 OK 31 43 - 72 - 4.9=25, 3887/3.7=9...(29) HG2 LYS 94 - HE3 LYS 63 OK 22 73 - 31 - 2.9/3862=2, 2.9/3872=2...(12) HG2 LYS 94 - HE2 LYS 63 OK 22 71 - 31 - 2.9/3862=2, 2.9/3872=2...(12) HB3 LYS 63 - HE2 LYS 94 OK 21 64 - 33 - 1.8/2905=3, 2914/1.8=2...(17) HB3 LYS 63 - HE3 LYS 94 OK 18 55 - 34 - 1.8/2905=3, 2914/1.8=2...(17) HG2 LYS 94 - HE3 LYS 45 OK 18 98 - 18 - 2.9/3862=1, 2.9/3872=1 HG2 LYS 94 - HE2 LYS 45 OK 18 98 - 18 - 2.9/3862=1, 2.9/3872=1 HB3 LYS 94 - HE3 LYS 63 OK 17 53 - 32 - 1.8/3862=2, ~3863=2...(13) HB3 LYS 63 - HE3 LYS 45 OK 16 93 - 17 - 1.8/2905=2, 2915/1.8=1...(5) HB3 LYS 63 - HE2 LYS 45 OK 16 93 - 17 - 1.8/2905=2, 2915/1.8=1...(5) HB3 LYS 94 - HE2 LYS 63 OK 16 52 - 32 - 1.8/3862=2, ~3863=2...(13) HB3 LYS 94 - HE3 LYS 45 OK 15 78 - 19 - 1.8/3862=1, 3868/3.5=1...(4) HB3 LYS 94 - HE2 LYS 45 OK 15 78 - 19 - 1.8/3862=1, 3868/3.5=1...(4) HG2 LYS 94 - HE3 LYS 61 OK 15 93 - 16 - 2121/1.8=2, 3880/2.9=1 HB3 LYS 63 - HE3 LYS 61 OK 12 87 - 14 - 2913/2.9=1, 2913/2.9=1...(4) HB3 LYS 94 - HE3 LYS 61 OK 11 72 - 16 - 3871/2.9=1, 3871/2.9=1 HG2 LYS 45 - HE3 LYS 61 OK 10 97 - 10 - 2121/1.8=1 HG2 LYS 45 - HE2 LYS 94 poor 8 74 - 11 - HG3 LYS 41 - HE3 LYS 61 lone 7 94 - 8 - ~2064=1, 2121/1.8=1 HB3 LEU 62 - HE3 LYS 63 poor 7 71 - 11 - 5950/6.3=2, 4256/6.9=2 HG2 LYS 45 - HE2 LYS 44 poor 7 63 - 12 - 2088/3.9=1 HG2 LYS 45 - HE3 LYS 94 poor 7 64 - 11 - HB3 LEU 62 - HE2 LYS 63 poor 7 69 - 11 - 5950/6.3=2, 4256/6.9=2 HG2 LYS 45 - HE3 LYS 44 poor 7 59 - 12 - 2088/3.9=1 HG13 ILE 93 - HE2 LYS 94 lone 6 72 - 9 - 3875/6.5=2, 4380/7.2=1 HB3 LEU 62 - HE3 LYS 61 lone 6 91 - 7 - HG13 ILE 93 - HE3 LYS 94 lone 5 63 - 9 - 3875/6.5=2, 4380/7.2=1 HG2 LYS 94 - HE2 LYS 44 lone 5 59 - 8 - HG2 LYS 45 - HE3 LYS 63 lone 5 77 - 6 - HG2 LYS 45 - HE2 LYS 63 lone 5 75 - 6 - HG2 LYS 94 - HE3 LYS 44 lone 4 56 - 8 - HB3 LEU 62 - HE2 LYS 94 lone 4 68 - 6 - HB3 LEU 62 - HE3 LYS 94 lone 4 59 - 6 - HG3 LYS 41 - HE2 LYS 45 lone 3 99 - 3 - HG3 LYS 41 - HE3 LYS 45 lone 3 99 - 3 - HB3 LYS 94 - HE2 LYS 44 lone 3 42 - 7 - HB3 LYS 94 - HE3 LYS 44 lone 3 40 - 7 - HG3 LYS 41 - HE2 LYS 94 lone 3 71 - 4 - HG2 LYS 86 - HE2 LYS 94 lone 2 54 - 5 - 3588/4.9=1 HG3 LYS 41 - HE3 LYS 94 lone 2 62 - 4 - HD2 LYS 86 - HE2 LYS 94 lone 2 41 - 5 - 3606/3.7=1 HG2 LYS 86 - HE3 LYS 94 lone 2 47 - 5 - 3588/4.9=1 HB3 LEU 62 - HE3 LYS 45 lone 2 97 - 2 - HB3 LEU 62 - HE2 LYS 45 lone 2 97 - 2 - HB3 LYS 63 - HE2 LYS 44 lone 2 54 - 3 - HD2 LYS 86 - HE3 LYS 94 lone 2 35 - 6 - 3606/3.7=1 HB3 LYS 63 - HE3 LYS 44 lone 2 51 - 3 - HD2 LYS 86 - HE3 LYS 61 lone 1 60 - 2 - HG2 LYS 86 - HE3 LYS 63 lone 1 57 - 2 - HD2 LYS 86 - HE3 LYS 63 lone 1 44 - 3 - HG2 LYS 86 - HE2 LYS 63 lone 1 55 - 2 - HD2 LYS 86 - HE2 LYS 63 lone 1 42 - 3 - HG13 ILE 93 - HE3 LYS 63 lone 1 76 - 2 - HG2 LYS 86 - HE3 LYS 61 lone 1 76 - 2 - HG3 LYS 41 - HE2 LYS 44 lone 1 60 - 2 - HG13 ILE 93 - HE2 LYS 63 lone 1 73 - 2 - HG3 LYS 41 - HE3 LYS 44 lone 1 57 - 2 - HG LEU 53 - HE2 LYS 94 lone 1 61 - 2 - HG2 LYS 86 - HE2 LYS 45 lone 1 83 - 1 - HG2 LYS 86 - HE3 LYS 45 lone 1 83 - 1 - HD2 LYS 86 - HE2 LYS 45 lone 1 65 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 65 - 2 - HG13 ILE 93 - HE2 LYS 45 lone 1 99 - 1 - HG13 ILE 93 - HE3 LYS 45 lone 1 99 - 1 - HG LEU 53 - HE3 LYS 94 lone 1 52 - 2 - HG13 ILE 93 - HE3 LYS 61 lone 1 95 - 1 - HG2 LYS 86 - HE2 LYS 44 lone 1 45 - 2 - HD2 LYS 86 - HE2 LYS 44 lone 1 34 - 2 - HG2 LYS 86 - HE3 LYS 44 lone 1 43 - 2 - HG3 LYS 41 - HE3 LYS 63 lone 1 75 - 1 - HG LEU 53 - HE2 LYS 45 lone 1 90 - 1 - HG LEU 53 - HE3 LYS 45 lone 1 90 - 1 - HB3 LEU 62 - HE2 LYS 44 lone 1 57 - 1 - HG3 LYS 41 - HE2 LYS 63 lone 1 72 - 1 - HD2 LYS 86 - HE3 LYS 44 lone 1 32 - 2 - HB3 LEU 62 - HE3 LYS 44 lone 1 54 - 1 - HG LEU 53 - HE3 LYS 61 lone 1 84 - 1 - HG LEU 53 - HE3 LYS 63 lone 0 64 - 1 - HG LEU 53 - HE2 LYS 63 lone 0 62 - 1 - HG13 ILE 93 - HE2 LYS 44 lone 0 61 - 1 - HG13 ILE 93 - HE3 LYS 44 lone 0 58 - 1 - HG LEU 53 - HE2 LYS 44 lone 0 51 - 0 - HG LEU 53 - HE3 LYS 44 lone 0 48 - 0 - Peak 2322 from cnoeabs.peaks (1.40, 2.99, 41.88 ppm; 3.00 A): 4 out of 63 assignments used, quality = 0.99: * HG3 LYS 45 + HE2 LYS 45 OK 82 100 - 82 - 3.5=62, 2296/1.8=5...(26) HG3 LYS 45 + HE3 LYS 45 OK 82 100 - 82 - 3.5=62, 2296/1.8=5...(26) HG2 LYS 61 + HE3 LYS 61 OK 60 80 - 74 - 3.9=46, 2792/1.8=4...(21) HG3 LYS 61 + HE3 LYS 61 OK 58 78 - 74 - 3.9=46, 2792/1.8=4...(22) HG2 LYS 61 - HE3 LYS 63 OK 11 61 - 18 - 2295=1 HG3 LYS 61 - HE3 LYS 63 OK 11 59 - 18 - HG2 LYS 61 - HE2 LYS 63 OK 11 59 - 18 - 2296=1 HG2 LYS 61 - HE3 LYS 45 OK 10 87 - 12 - HG2 LYS 61 - HE2 LYS 45 OK 10 87 - 12 - HG3 LYS 61 - HE2 LYS 63 OK 10 57 - 18 - HG3 LYS 61 - HE3 LYS 45 OK 10 85 - 12 - HG3 LYS 61 - HE2 LYS 45 OK 10 85 - 12 - HG2 LYS 61 - HE2 LYS 44 poor 9 48 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 61 - HE2 LYS 44 poor 9 47 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG2 LYS 61 - HE3 LYS 44 poor 9 45 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 61 - HE3 LYS 44 poor 8 44 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 45 - HE3 LYS 61 lone 8 97 - 8 - HG3 LYS 45 - HE2 LYS 44 lone 6 63 - 10 - HG2 LYS 41 - HE3 LYS 61 lone 6 96 - 6 - ~2064=1 HG3 LYS 45 - HE3 LYS 44 lone 6 59 - 10 - HG3 LYS 45 - HE2 LYS 94 lone 6 74 - 8 - QB ALA 78 - HE2 LYS 44 lone 5 62 - 9 - 6441/3.0=2, 6441/3.0=2 QB ALA 78 - HE3 LYS 44 lone 5 59 - 9 - 6441/3.0=2, 6441/3.0=2 HG2 LYS 61 - HE2 LYS 94 lone 5 58 - 9 - HG3 LYS 45 - HE3 LYS 94 lone 5 64 - 8 - HG3 LYS 61 - HE2 LYS 94 lone 5 56 - 9 - HG2 LYS 61 - HE3 LYS 94 lone 4 50 - 9 - QB ALA 78 - HE2 LYS 45 lone 4 100 - 4 - QB ALA 78 - HE3 LYS 45 lone 4 100 - 4 - HG3 LYS 45 - HE3 LYS 63 lone 4 77 - 5 - HG3 LYS 61 - HE3 LYS 94 lone 4 48 - 9 - HG3 LYS 45 - HE2 LYS 63 lone 4 75 - 5 - QB ALA 78 - HE3 LYS 61 lone 4 96 - 4 - HG2 LYS 41 - HE2 LYS 45 lone 3 100 - 3 - HG2 LYS 41 - HE3 LYS 45 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 94 lone 2 56 - 4 - 3616/3.7=1 HD3 LYS 86 - HE3 LYS 61 lone 2 78 - 2 - QB ALA 78 - HE3 LYS 63 lone 2 77 - 2 - HD3 LYS 86 - HE3 LYS 94 lone 2 48 - 4 - 3616/3.7=1 QB ALA 78 - HE2 LYS 63 lone 2 74 - 2 - HG2 LYS 41 - HE2 LYS 94 lone 2 73 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 85 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 85 - 2 - HG2 LYS 41 - HE3 LYS 94 lone 1 63 - 2 - HD3 LYS 86 - HE3 LYS 63 lone 1 59 - 2 - HD3 LYS 86 - HE2 LYS 63 lone 1 57 - 2 - HG2 LYS 41 - HE2 LYS 44 lone 1 61 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 1 58 - 2 - QB ALA 78 - HE2 LYS 94 lone 1 73 - 1 - HD3 LYS 86 - HE2 LYS 44 lone 1 47 - 2 - QB ALA 78 - HE3 LYS 94 lone 1 64 - 1 - HD3 LYS 86 - HE3 LYS 44 lone 1 44 - 2 - HB3 LEU 53 - HE2 LYS 45 lone 1 93 - 1 - HB3 LEU 53 - HE3 LYS 45 lone 1 93 - 1 - HG2 LYS 41 - HE3 LYS 63 lone 1 76 - 1 - HG2 LYS 41 - HE2 LYS 63 lone 1 74 - 1 - HB3 LEU 53 - HE3 LYS 61 lone 0 87 - 1 - HB3 LEU 53 - HE2 LYS 94 lone 0 64 - 1 - HB3 LEU 53 - HE3 LYS 94 lone 0 55 - 1 - HB3 LEU 53 - HE3 LYS 63 lone 0 67 - 0 - HB3 LEU 53 - HE2 LYS 63 lone 0 65 - 0 - HB3 LEU 53 - HE2 LYS 44 lone 0 54 - 0 - HB3 LEU 53 - HE3 LYS 44 lone 0 51 - 0 - Peak 2323 from cnoeabs.peaks (1.70, 2.99, 41.88 ppm; 2.40 A): 6 out of 153 assignments used, quality = 1.00: HD2 LYS 45 + HE3 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) * HD2 LYS 45 + HE2 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE2 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE3 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 61 + HE3 LYS 61 OK 47 72 - 66 - 2.9=55, 2812/1.8=2...(9) HD2 LYS 61 + HE3 LYS 61 OK 47 72 - 66 - 2.9=55, 2812/1.8=2...(9) HD3 LYS 63 - HE3 LYS 63 OK 35 53 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 34 52 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 94 - HE2 LYS 94 OK 30 43 - 69 - 3.0=54, 1.8/3912=2...(17) HD2 LYS 94 - HE2 LYS 94 OK 30 43 - 69 - 3.0=54, 1.8/3912=2...(17) HD3 LYS 44 - HE2 LYS 44 OK 29 44 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 44 - HE2 LYS 44 OK 28 42 - 67 - 3.0=54, 3.0/2200=2...(17) HD3 LYS 44 - HE3 LYS 44 OK 28 41 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 44 - HE3 LYS 44 OK 27 40 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 94 - HE3 LYS 94 OK 25 37 - 69 - 3.0=54, 1.8/3912=2...(17) HD3 LYS 94 - HE3 LYS 94 OK 25 37 - 69 - 3.0=54, 1.8/3912=2...(17) HD2 LYS 94 - HE3 LYS 63 poor 7 46 - 16 - HD3 LYS 94 - HE3 LYS 63 poor 7 46 - 16 - HD3 LYS 94 - HE2 LYS 63 poor 7 44 - 16 - HD2 LYS 94 - HE2 LYS 63 poor 7 44 - 16 - HD3 LYS 44 - HE3 LYS 61 lone 7 74 - 9 - HD2 LYS 44 - HE3 LYS 61 lone 6 72 - 9 - HD3 LYS 94 - HE3 LYS 45 lone 6 68 - 9 - HD3 LYS 94 - HE2 LYS 45 lone 6 68 - 9 - HD2 LYS 94 - HE2 LYS 45 lone 6 68 - 9 - HD2 LYS 94 - HE3 LYS 45 lone 6 68 - 9 - HD3 LYS 44 - HE3 LYS 45 lone 5 81 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 5 81 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 5 78 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 5 78 - 7 - HD3 LYS 35 - HE3 LYS 61 lone 5 80 - 6 - HD3 LYS 61 - HE3 LYS 63 lone 4 53 - 8 - HD2 LYS 61 - HE3 LYS 63 lone 4 53 - 8 - HD3 LYS 61 - HE2 LYS 63 lone 4 52 - 8 - HD2 LYS 61 - HE2 LYS 63 lone 4 52 - 8 - HD3 LYS 61 - HE3 LYS 45 lone 4 78 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 78 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 4 78 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 4 78 - 5 - HD3 LYS 63 - HE2 LYS 94 lone 4 51 - 8 - HD2 LYS 94 - HE3 LYS 61 lone 4 62 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 4 62 - 7 - HD3 LYS 63 - HE3 LYS 94 lone 4 43 - 9 - HD2 LYS 45 - HE3 LYS 61 lone 4 97 - 4 - HD3 LYS 45 - HE3 LYS 61 lone 4 96 - 4 - HD3 LYS 35 - HE2 LYS 44 lone 4 48 - 7 - HD3 LYS 35 - HE3 LYS 44 lone 3 45 - 7 - HD3 LYS 63 - HE3 LYS 45 lone 3 78 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 78 - 4 - HD2 LYS 61 - HE2 LYS 44 lone 3 42 - 7 - HD3 LYS 61 - HE2 LYS 44 lone 3 42 - 7 - HD2 LYS 61 - HE3 LYS 44 lone 3 40 - 7 - HD3 LYS 61 - HE3 LYS 44 lone 3 40 - 7 - HD2 LYS 45 - HE2 LYS 44 lone 3 63 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 62 - 4 - HD2 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD3 LYS 63 - HE3 LYS 61 lone 3 72 - 4 - HD3 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD2 LYS 45 - HE3 LYS 44 lone 2 59 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 2 59 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 61 - HE2 LYS 94 lone 2 51 - 4 - HD2 LYS 61 - HE2 LYS 94 lone 2 51 - 4 - HD2 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD3 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 61 - HE3 LYS 94 lone 2 43 - 4 - HD2 LYS 61 - HE3 LYS 94 lone 2 43 - 4 - HD3 LYS 94 - HE2 LYS 44 lone 1 36 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 1 36 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 1 33 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 1 33 - 4 - HD3 LYS 44 - HE2 LYS 94 lone 1 52 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 51 - 2 - HD2 LYS 77 - HE3 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 100 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 45 - 2 - HD2 LYS 44 - HE3 LYS 94 lone 1 43 - 2 - HD2 LYS 77 - HE3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HE3 LYS 63 lone 1 77 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 1 75 - 1 - HD3 LYS 44 - HE3 LYS 63 lone 1 55 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD3 LYS 44 - HE2 LYS 63 lone 1 53 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 53 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 59 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 52 - 1 - HB ILE 80 - HE3 LYS 45 lone 1 89 - 1 - HB ILE 80 - HE2 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 91 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 87 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 87 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 0 42 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 0 55 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 0 40 - 1 - HB2 LEU 53 - HE2 LYS 45 lone 0 89 - 0 - HB2 LEU 53 - HE3 LYS 45 lone 0 89 - 0 - HG2 ARG 57 - HE2 LYS 63 lone 0 53 - 1 - HB ILE 40 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 81 - 0 - HG3 ARG 57 - HE3 LYS 63 lone 0 52 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 0 50 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 97 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 97 - 0 - HB ILE 40 - HE2 LYS 44 lone 0 44 - 1 - HG2 ARG 57 - HE3 LYS 45 lone 0 81 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 80 - HE3 LYS 63 lone 0 63 - 0 - HG12 ILE 39 - HE2 LYS 94 lone 0 68 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 74 - 0 - HG12 ILE 39 - HE2 LYS 44 lone 0 57 - 0 - HB ILE 40 - HE3 LYS 44 lone 0 41 - 1 - HB ILE 80 - HE2 LYS 63 lone 0 60 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 74 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 76 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 76 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 82 - 0 - HG12 ILE 39 - HE3 LYS 44 lone 0 54 - 0 - HB ILE 40 - HE3 LYS 63 lone 0 55 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 53 - 0 - HG12 ILE 39 - HE3 LYS 94 lone 0 59 - 0 - HD3 LYS 35 - HE3 LYS 63 lone 0 61 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 64 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 58 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 59 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 82 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 52 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 71 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 74 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 69 - 0 - HG2 ARG 57 - HE2 LYS 94 lone 0 52 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 69 - 0 - HD3 LYS 35 - HE3 LYS 94 lone 0 50 - 0 - HG3 ARG 57 - HE2 LYS 94 lone 0 49 - 0 - HB ILE 40 - HE3 LYS 94 lone 0 45 - 0 - HB2 LEU 53 - HE2 LYS 94 lone 0 59 - 0 - HG2 ARG 57 - HE3 LYS 94 lone 0 45 - 0 - HB ILE 80 - HE2 LYS 94 lone 0 59 - 0 - HB ILE 80 - HE2 LYS 44 lone 0 50 - 0 - HG3 ARG 57 - HE3 LYS 94 lone 0 42 - 0 - HB2 LEU 53 - HE3 LYS 63 lone 0 63 - 0 - HB2 LEU 53 - HE2 LYS 63 lone 0 60 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 94 lone 0 51 - 0 - HB ILE 80 - HE3 LYS 94 lone 0 51 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 44 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 50 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 41 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 40 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 47 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 38 - 0 - Peak 2324 from cnoeabs.peaks (1.70, 2.99, 41.88 ppm; 2.40 A): 6 out of 153 assignments used, quality = 1.00: HD2 LYS 45 + HE3 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD2 LYS 45 + HE2 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) * HD3 LYS 45 + HE2 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE3 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 61 + HE3 LYS 61 OK 50 76 - 66 - 2.9=55, 2822/1.8=2...(9) HD2 LYS 61 + HE3 LYS 61 OK 50 76 - 66 - 2.9=55, 2822/1.8=2...(9) HD3 LYS 63 - HE3 LYS 63 OK 37 57 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 36 55 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 94 - HE2 LYS 94 OK 32 47 - 69 - 3.0=53, 3891/3.7=2...(17) HD2 LYS 94 - HE2 LYS 94 OK 32 47 - 69 - 3.0=53, 3891/3.7=2...(17) HD3 LYS 44 - HE2 LYS 44 OK 31 47 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 44 - HE2 LYS 44 OK 30 45 - 67 - 3.0=53, 3.0/2200=2...(17) HD3 LYS 44 - HE3 LYS 44 OK 30 44 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 44 - HE3 LYS 44 OK 29 43 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 94 - HE3 LYS 94 OK 27 40 - 69 - 3.0=53, 3890/3.7=2...(17) HD3 LYS 94 - HE3 LYS 94 OK 27 40 - 69 - 3.0=53, 3890/3.7=2...(17) HD3 LYS 94 - HE3 LYS 63 poor 8 50 - 17 - HD2 LYS 94 - HE3 LYS 63 poor 8 50 - 17 - HD3 LYS 94 - HE2 LYS 63 poor 8 48 - 17 - HD2 LYS 94 - HE2 LYS 63 poor 8 48 - 17 - HD3 LYS 44 - HE3 LYS 61 lone 7 78 - 9 - HD2 LYS 44 - HE3 LYS 61 lone 7 76 - 9 - HD2 LYS 94 - HE2 LYS 45 lone 6 73 - 9 - HD2 LYS 94 - HE3 LYS 45 lone 6 73 - 9 - HD3 LYS 94 - HE3 LYS 45 lone 6 73 - 9 - HD3 LYS 94 - HE2 LYS 45 lone 6 73 - 9 - HD3 LYS 44 - HE2 LYS 45 lone 6 85 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 6 85 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 5 83 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 5 83 - 7 - HD3 LYS 61 - HE3 LYS 63 lone 5 57 - 8 - HD2 LYS 61 - HE3 LYS 63 lone 5 57 - 8 - HD3 LYS 35 - HE3 LYS 61 lone 5 84 - 6 - HD3 LYS 63 - HE2 LYS 94 lone 5 54 - 9 - HD2 LYS 61 - HE2 LYS 63 lone 5 55 - 8 - HD3 LYS 61 - HE2 LYS 63 lone 5 55 - 8 - HD3 LYS 61 - HE2 LYS 45 lone 4 83 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 4 83 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 83 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 4 83 - 5 - HD2 LYS 94 - HE3 LYS 61 lone 4 67 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 4 67 - 7 - HD3 LYS 63 - HE3 LYS 94 lone 4 47 - 9 - HD3 LYS 35 - HE2 LYS 44 lone 4 51 - 7 - HD2 LYS 45 - HE3 LYS 61 lone 4 96 - 4 - HD3 LYS 45 - HE3 LYS 61 lone 4 97 - 4 - HD3 LYS 35 - HE3 LYS 44 lone 4 48 - 7 - HD3 LYS 61 - HE2 LYS 44 lone 3 45 - 7 - HD2 LYS 61 - HE2 LYS 44 lone 3 45 - 7 - HD3 LYS 63 - HE3 LYS 45 lone 3 83 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 83 - 4 - HD3 LYS 61 - HE3 LYS 44 lone 3 43 - 7 - HD2 LYS 61 - HE3 LYS 44 lone 3 43 - 7 - HD3 LYS 63 - HE3 LYS 61 lone 3 76 - 4 - HD2 LYS 45 - HE2 LYS 44 lone 3 62 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 63 - 4 - HD2 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD3 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD2 LYS 61 - HE2 LYS 94 lone 3 54 - 5 - HD3 LYS 61 - HE2 LYS 94 lone 3 54 - 5 - HD2 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD2 LYS 61 - HE3 LYS 94 lone 2 47 - 5 - HD3 LYS 61 - HE3 LYS 94 lone 2 47 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 1 39 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 1 39 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 1 37 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 1 37 - 4 - HD3 LYS 44 - HE2 LYS 94 lone 1 56 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 54 - 2 - HD3 LYS 44 - HE3 LYS 94 lone 1 48 - 2 - HD2 LYS 44 - HE3 LYS 94 lone 1 47 - 2 - HD2 LYS 77 - HE3 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE3 LYS 63 lone 1 77 - 1 - HD3 LYS 44 - HE3 LYS 63 lone 1 59 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 1 75 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 57 - 1 - HD3 LYS 44 - HE2 LYS 63 lone 1 57 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 55 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 59 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 93 - 1 - HB ILE 80 - HE3 LYS 45 lone 0 85 - 1 - HB ILE 80 - HE2 LYS 45 lone 0 85 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 90 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 90 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 0 59 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 0 45 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 0 57 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 0 55 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 0 43 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 0 53 - 1 - HB ILE 40 - HE2 LYS 45 lone 0 85 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 85 - 0 - HB2 LEU 53 - HE3 LYS 45 lone 0 85 - 0 - HB2 LEU 53 - HE2 LYS 45 lone 0 85 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 98 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 98 - 0 - HB ILE 40 - HE2 LYS 44 lone 0 47 - 1 - HB ILE 40 - HE3 LYS 44 lone 0 44 - 1 - HG12 ILE 39 - HE2 LYS 94 lone 0 70 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 85 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 85 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 78 - 0 - HG12 ILE 39 - HE2 LYS 44 lone 0 59 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 61 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 81 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 40 - HE3 LYS 63 lone 0 59 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 74 - 0 - HG12 ILE 39 - HE3 LYS 44 lone 0 56 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 57 - 0 - HD3 LYS 35 - HE3 LYS 63 lone 0 64 - 0 - HG12 ILE 39 - HE3 LYS 94 lone 0 60 - 0 - HB ILE 80 - HE3 LYS 63 lone 0 59 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 62 - 0 - HB ILE 80 - HE2 LYS 63 lone 0 57 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 78 - 0 - HG2 ARG 57 - HE2 LYS 94 lone 0 56 - 0 - HD3 LYS 35 - HE3 LYS 94 lone 0 52 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 40 - HE3 LYS 94 lone 0 48 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 78 - 0 - HG3 ARG 57 - HE2 LYS 94 lone 0 52 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 73 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 71 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 74 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 78 - 0 - HG2 ARG 57 - HE3 LYS 94 lone 0 48 - 0 - HG3 ARG 57 - HE3 LYS 94 lone 0 45 - 0 - HB2 LEU 53 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 80 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 80 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 63 lone 0 59 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE2 LYS 63 lone 0 57 - 0 - HB2 LEU 53 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 44 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 44 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 44 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 41 - 0 - HB ILE 80 - HE3 LYS 94 lone 0 48 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 44 - 0 - Peak 2325 from cnoeabs.peaks (2.99, 2.99, 41.88 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: * HE2 LYS 45 + HE2 LYS 45 OK 100 100 - 100 HE3 LYS 45 + HE3 LYS 45 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 93 93 - 100 HE3 LYS 63 + HE3 LYS 63 OK 66 66 - 100 HE2 LYS 94 + HE2 LYS 94 OK 64 64 - 100 HE2 LYS 63 + HE2 LYS 63 OK 62 62 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 44 - HE2 LYS 44 OK 40 40 - 100 HE3 LYS 44 - HE3 LYS 44 OK 37 37 - 100 Peak 2326 from cnoeabs.peaks (2.99, 2.99, 41.88 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: HE2 LYS 45 + HE2 LYS 45 OK 100 100 - 100 HE3 LYS 45 + HE3 LYS 45 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 93 93 - 100 HE3 LYS 63 + HE3 LYS 63 OK 66 66 - 100 HE2 LYS 94 + HE2 LYS 94 OK 64 64 - 100 HE2 LYS 63 + HE2 LYS 63 OK 62 62 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 44 - HE2 LYS 44 OK 40 40 - 100 HE3 LYS 44 - HE3 LYS 44 OK 37 37 - 100 Reference assignment not found: HE3 LYS 45 - HE2 LYS 45 Peak 2327 from cnoeabs.peaks (8.31, 2.99, 41.88 ppm; 5.36 A): 2 out of 27 assignments used, quality = 0.98: * H LYS 45 + HE3 LYS 45 OK 87 100 - 87 - 7.3=40, 790/3.5=26...(19) H LYS 45 + HE2 LYS 45 OK 87 100 - 87 - 7.3=40, 790/3.5=26...(19) H LYS 45 - HE2 LYS 44 OK 39 63 - 62 - 192/3.9=25, 189/4.8=13...(12) H LYS 45 - HE3 LYS 44 OK 37 59 - 62 - 192/3.9=25, 189/4.8=13...(12) H GLY 64 - HE3 LYS 63 OK 34 61 - 56 - 289/6.3=18, 4261/4.8=14...(10) H GLY 64 - HE2 LYS 63 OK 33 59 - 56 - 289/6.3=18, 4261/4.8=14...(10) H LYS 45 - HE3 LYS 61 OK 30 97 - 32 - 791/3.9=5, 791/3.9=5...(12) H ASP 32 - HE3 LYS 45 OK 19 100 - 19 - 2277/3.5=5, 2287/3.5=3...(5) H ASP 32 - HE2 LYS 45 OK 19 100 - 19 - 2277/3.5=5, 2287/3.5=3...(5) H GLY 64 - HE2 LYS 45 OK 16 87 - 18 - 2277/3.5=3, 4.7/2905=2...(5) H GLY 64 - HE3 LYS 45 OK 16 87 - 18 - 2277/3.5=3, 4.7/2905=2...(5) H LYS 45 - HE3 LYS 63 OK 14 77 - 18 - 790/4.8=2, 4261/4.8=2...(4) H LYS 45 - HE2 LYS 63 OK 13 75 - 18 - 790/4.8=2, 4261/4.8=2...(4) H GLY 64 - HE2 LYS 94 OK 13 58 - 22 - 4.7/2915=4, 4.7/2905=4...(6) H GLY 64 - HE3 LYS 61 OK 12 80 - 16 - 5983/6.6=3, 292/3.9=2...(6) H LYS 45 - HE2 LYS 94 OK 12 74 - 16 - 790/3.7=3, 192/4.9=2...(4) H GLY 64 - HE3 LYS 94 OK 11 50 - 22 - 4.7/2915=4, 4.7/2905=4...(6) H LYS 45 - HE3 LYS 94 poor 10 64 - 15 - 790/3.7=3, 192/4.9=2...(4) H ASP 32 - HE2 LYS 44 poor 10 63 - 15 - 1153/6.3=3, 111/3.9=2...(4) H ASP 32 - HE3 LYS 44 poor 9 59 - 15 - 1153/6.3=3, 111/3.9=2...(4) H ASP 32 - HE3 LYS 61 lone 9 97 - 9 - ~5134=1 H ASP 32 - HE3 LYS 63 lone 8 77 - 10 - 1154/6.9=2, ~5093=1, 4261/4.8=1 H ASP 32 - HE2 LYS 63 lone 8 75 - 10 - 1154/6.9=2, ~5093=1, 4261/4.8=1 H ASP 32 - HE2 LYS 94 lone 4 74 - 5 - H ASP 32 - HE3 LYS 94 lone 3 64 - 5 - H GLY 64 - HE2 LYS 44 lone 3 48 - 5 - H GLY 64 - HE3 LYS 44 lone 2 45 - 5 - Peak 2328 from cnoeabs.peaks (4.24, 2.99, 41.88 ppm; 4.43 A): 3 out of 72 assignments used, quality = 0.97: * HA LYS 45 + HE3 LYS 45 OK 76 100 - 76 - 6.2=36, 2252/3.5=13...(30) HA LYS 45 + HE2 LYS 45 OK 76 100 - 76 - 6.2=36, 2252/3.5=13...(30) HA LYS 63 + HE3 LYS 63 OK 39 44 - 90 - 6.3=35, ~2912=11...(39) HA LYS 63 - HE2 LYS 63 OK 37 42 - 90 - 6.3=35, ~2912=11...(39) HA LYS 45 - HE3 LYS 61 OK 20 97 - 21 - 2252/3.9=2, 2252/3.9=2...(10) HA3 GLY 64 - HE3 LYS 63 OK 20 77 - 27 - 5986/4.8=5, 4.9/2895=4...(10) HA3 GLY 64 - HE2 LYS 63 OK 20 74 - 27 - 5986/4.8=5, 4.9/2895=4...(10) HA LYS 63 - HE2 LYS 94 OK 17 41 - 42 - 3.0/2905=4, 3.0/2915=4...(18) HA LYS 45 - HE2 LYS 44 OK 17 63 - 27 - ~4182=2, ~4181=2, ~193=2...(13) HA LYS 63 - HE3 LYS 45 OK 17 65 - 25 - 3.0/2905=2, 3.0/2915=2...(8) HA LYS 63 - HE2 LYS 45 OK 17 65 - 25 - 3.0/2905=2, 3.0/2915=2...(8) HA LYS 45 - HE3 LYS 44 OK 16 59 - 27 - ~4182=2, ~4181=2, ~193=2...(13) HA LYS 63 - HE3 LYS 94 OK 14 35 - 42 - 3.0/2905=4, 3.0/2915=4...(18) HA LYS 63 - HE3 LYS 61 OK 14 60 - 24 - 2893/2.9=2, 2893/2.9=2...(11) HA ILE 37 - HE3 LYS 61 OK 10 80 - 13 - ~5286=3, ~5266=1...(4) HA LYS 45 - HE3 LYS 63 poor 9 77 - 11 - HA LYS 45 - HE2 LYS 63 poor 8 75 - 11 - HA LYS 45 - HE2 LYS 94 poor 8 74 - 11 - HA3 GLY 64 - HE2 LYS 45 lone 8 100 - 8 - 4.9/2895=1 HA3 GLY 64 - HE3 LYS 45 lone 8 100 - 8 - 4.9/2895=1 HA3 GLY 64 - HE3 LYS 61 lone 7 96 - 8 - 4.9/2895=1 HA3 GLY 64 - HE2 LYS 94 lone 7 73 - 10 - 4.9/2895=2, 5987/4.9=1 HA LYS 45 - HE3 LYS 94 poor 7 64 - 11 - HA3 GLY 85 - HE2 LYS 94 poor 7 56 - 12 - 6644/6.5=5, 6655/3.7=3 HA3 GLY 64 - HE3 LYS 94 lone 6 64 - 10 - 4.9/2895=2, 5987/4.9=1 HA3 GLY 85 - HE3 LYS 94 poor 6 48 - 12 - 6644/6.5=5, 6655/3.7=3 HA3 GLY 85 - HE3 LYS 45 lone 3 85 - 4 - 6655/3.5=1 HA3 GLY 85 - HE2 LYS 45 lone 3 85 - 4 - 6655/3.5=1 HA3 GLY 85 - HE3 LYS 63 lone 3 59 - 5 - HA3 GLY 85 - HE2 LYS 63 lone 3 57 - 5 - HA3 GLY 64 - HE2 LYS 44 lone 2 62 - 4 - HA VAL 68 - HE3 LYS 63 lone 2 77 - 3 - HA VAL 68 - HE2 LYS 63 lone 2 75 - 3 - HA3 GLY 64 - HE3 LYS 44 lone 2 59 - 4 - HA ILE 37 - HE2 LYS 45 lone 2 87 - 2 - HA ILE 37 - HE3 LYS 45 lone 2 87 - 2 - HA ILE 37 - HE2 LYS 94 lone 2 58 - 4 - HA ILE 37 - HE2 LYS 44 lone 2 48 - 4 - HA ALA 79 - HE3 LYS 61 lone 2 67 - 3 - HA ILE 37 - HE3 LYS 44 lone 2 45 - 4 - HA LYS 63 - HE2 LYS 44 lone 2 34 - 5 - HA GLU 58 - HE3 LYS 61 lone 2 74 - 2 - HA ILE 37 - HE3 LYS 94 lone 2 50 - 4 - HA LYS 63 - HE3 LYS 44 lone 2 32 - 5 - HA3 GLY 85 - HE3 LYS 61 lone 2 78 - 2 - HA ILE 37 - HE3 LYS 63 lone 2 61 - 3 - HA ILE 37 - HE2 LYS 63 lone 2 59 - 3 - HA VAL 68 - HE3 LYS 61 lone 2 96 - 2 - HA3 GLY 85 - HE2 LYS 44 lone 2 47 - 3 - HA ALA 79 - HE2 LYS 45 lone 2 73 - 2 - HA ALA 79 - HE3 LYS 45 lone 2 73 - 2 - HA VAL 68 - HE3 LYS 45 lone 1 100 - 1 - HA VAL 68 - HE2 LYS 45 lone 1 100 - 1 - HA3 GLY 85 - HE3 LYS 44 lone 2 44 - 3 - HA ALA 79 - HE3 LYS 63 lone 1 50 - 3 - HA VAL 68 - HE2 LYS 94 lone 1 74 - 2 - HA ALA 79 - HE2 LYS 63 lone 1 48 - 3 - HA GLU 58 - HE3 LYS 45 lone 1 81 - 2 - HA GLU 58 - HE2 LYS 45 lone 1 81 - 2 - HA GLU 58 - HE3 LYS 63 lone 1 55 - 2 - HA VAL 68 - HE3 LYS 94 lone 1 64 - 2 - HA GLU 58 - HE2 LYS 63 lone 1 53 - 2 - HA VAL 68 - HE2 LYS 44 lone 1 62 - 2 - HA VAL 68 - HE3 LYS 44 lone 1 59 - 2 - HA GLU 58 - HE2 LYS 94 lone 1 52 - 2 - HA ALA 79 - HE2 LYS 44 lone 1 39 - 2 - HA ALA 79 - HE3 LYS 44 lone 1 37 - 2 - HA GLU 58 - HE3 LYS 94 lone 1 45 - 2 - HA ALA 79 - HE2 LYS 94 lone 1 47 - 2 - HA GLU 58 - HE2 LYS 44 lone 1 44 - 2 - HA GLU 58 - HE3 LYS 44 lone 1 41 - 2 - HA ALA 79 - HE3 LYS 94 lone 1 40 - 2 - Peak 2329 from cnoeabs.peaks (1.95, 2.99, 41.88 ppm; 4.69 A): 4 out of 81 assignments used, quality = 1.00: * HB2 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB2 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB2 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB VAL 95 - HE2 LYS 94 OK 16 73 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB3 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB VAL 95 - HE3 LYS 94 OK 14 64 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB2 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB3 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB2 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB3 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HB3 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HG3 PRO 49 - HE3 LYS 63 poor 8 72 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HG3 PRO 49 - HE2 LYS 63 poor 8 70 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HB2 LYS 77 - HE3 LYS 63 poor 5 41 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HB2 LYS 77 - HE2 LYS 63 poor 5 40 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HG3 PRO 49 - HE2 LYS 44 lone 5 58 - 8 - 7089/6.3=3, ~7192=1 HG3 PRO 49 - HE3 LYS 44 lone 4 55 - 8 - 7089/6.3=3, ~7192=1 HB VAL 95 - HE3 LYS 63 lone 4 77 - 5 - 3.9/445=2 HB VAL 95 - HE2 LYS 63 lone 4 74 - 5 - 3.9/445=2 HB2 LYS 77 - HE2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HE3 LYS 45 lone 4 63 - 6 - HB2 GLU 65 - HE3 LYS 63 lone 4 44 - 9 - 7114/4.8=6, 7101/4.8=2 HB VAL 95 - HE3 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB VAL 95 - HE2 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB2 GLU 65 - HE2 LYS 63 lone 4 42 - 9 - 7114/4.8=6, 7101/4.8=2 HG2 GLN 19 - HE2 LYS 94 lone 3 45 - 8 - 4734/4.9=6 HB VAL 95 - HE3 LYS 61 lone 3 96 - 3 - 3.9/445=1 HG3 PRO 73 - HE3 LYS 63 lone 3 77 - 4 - ~2937=2 HG3 PRO 73 - HE2 LYS 63 lone 3 75 - 4 - ~2937=2 HB2 GLU 65 - HE2 LYS 94 lone 3 41 - 8 - 7114/4.9=3, ~6018=2 HG3 PRO 49 - HE2 LYS 94 lone 3 69 - 4 - ~7192=1 HG2 GLN 19 - HE3 LYS 94 lone 3 38 - 8 - 4734/4.9=6 HG3 PRO 49 - HE3 LYS 45 lone 3 97 - 3 - HG3 PRO 49 - HE2 LYS 45 lone 3 97 - 3 - HB2 GLU 65 - HE3 LYS 94 lone 3 35 - 8 - 7114/4.9=3, ~6018=2 HB2 LYS 77 - HE3 LYS 61 lone 3 57 - 4 - HG3 PRO 49 - HE3 LYS 94 lone 3 60 - 4 - ~7192=1 HB2 LYS 77 - HE2 LYS 44 lone 2 32 - 8 - ~3256=1 HG3 PRO 49 - HE3 LYS 61 lone 2 92 - 3 - HB3 GLU 28 - HE2 LYS 44 lone 2 32 - 8 - 4998/3.9=2 HB2 LYS 77 - HE3 LYS 44 lone 2 30 - 8 - ~3256=1 HB3 GLU 28 - HE3 LYS 44 lone 2 30 - 8 - 4998/3.9=2 HB3 GLU 28 - HE3 LYS 63 lone 2 41 - 5 - HG2 GLN 19 - HE3 LYS 63 lone 2 48 - 4 - 4734/4.8=2 HB3 GLU 28 - HE2 LYS 63 lone 2 40 - 5 - HG2 GLN 19 - HE2 LYS 63 lone 2 46 - 4 - 4734/4.8=2 HG3 PRO 73 - HE2 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 61 lone 2 97 - 2 - HG2 GLN 19 - HE2 LYS 45 lone 2 71 - 2 - HG2 GLN 19 - HE3 LYS 45 lone 2 71 - 2 - HB2 GLU 65 - HE3 LYS 45 lone 2 65 - 2 - HB2 GLU 65 - HE2 LYS 45 lone 2 65 - 2 - HB3 GLU 28 - HE3 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE2 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HE2 LYS 94 lone 1 74 - 2 - HB VAL 95 - HE2 LYS 44 lone 1 62 - 2 - HB2 GLU 65 - HE3 LYS 61 lone 1 60 - 2 - HB VAL 95 - HE3 LYS 44 lone 1 59 - 2 - HG2 GLN 19 - HE3 LYS 61 lone 1 65 - 2 - HG3 PRO 73 - HE3 LYS 94 lone 1 64 - 2 - HG3 PRO 73 - HE2 LYS 44 lone 1 63 - 2 - HG3 PRO 73 - HE3 LYS 44 lone 1 59 - 2 - HB2 LYS 77 - HE2 LYS 94 lone 1 39 - 2 - HB2 LYS 77 - HE3 LYS 94 lone 1 33 - 2 - HB3 GLU 28 - HE2 LYS 94 lone 1 39 - 2 - HB2 GLU 65 - HE2 LYS 44 lone 1 34 - 2 - HG2 GLN 19 - HE2 LYS 44 lone 1 37 - 2 - HB2 GLU 65 - HE3 LYS 44 lone 1 32 - 2 - HG2 GLN 19 - HE3 LYS 44 lone 1 35 - 2 - HB3 GLU 28 - HE3 LYS 94 lone 1 33 - 2 - Peak 2330 from cnoeabs.peaks (1.95, 2.99, 41.88 ppm; 4.69 A): 4 out of 81 assignments used, quality = 1.00: HB2 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) * HB3 LYS 45 + HE3 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB2 LYS 45 + HE2 LYS 45 OK 98 100 - 98 - 5.0=83, 2273/3.0=7...(46) HB3 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB2 LYS 45 - HE3 LYS 61 OK 22 97 - 23 - 3.0/2328=1, 4.0/2327=1...(5) HB VAL 95 - HE2 LYS 94 OK 16 73 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE2 LYS 44 OK 16 63 - 26 - 4.0/2317=2, 2274/3.0=1...(6) HB2 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB3 LYS 45 - HE3 LYS 44 OK 15 59 - 25 - 4.0/2317=1, 2274/3.0=1...(5) HB VAL 95 - HE3 LYS 94 OK 14 64 - 22 - 6876/6.5=8, 3.9/445=7...(4) HB3 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB2 LYS 45 - HE2 LYS 94 OK 13 74 - 17 - HB3 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB2 LYS 45 - HE3 LYS 94 OK 11 64 - 17 - HB3 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE3 LYS 63 OK 10 77 - 13 - ~2937=1 HB2 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HB3 LYS 45 - HE2 LYS 63 OK 10 75 - 13 - ~2937=1 HG3 PRO 49 - HE3 LYS 63 poor 8 72 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HG3 PRO 49 - HE2 LYS 63 poor 8 70 - 11 - 5645/3.5=1, 5645/3.5=1, ~7192=1 HB2 LYS 77 - HE3 LYS 63 poor 5 41 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HB2 LYS 77 - HE2 LYS 63 poor 5 40 - 13 - 7101/4.8=3, ~6414=2, ~3256=1 HG3 PRO 49 - HE2 LYS 44 lone 5 58 - 8 - 7089/6.3=3, ~7192=1 HG3 PRO 49 - HE3 LYS 44 lone 4 55 - 8 - 7089/6.3=3, ~7192=1 HB VAL 95 - HE3 LYS 63 lone 4 77 - 5 - 3.9/445=2 HB VAL 95 - HE2 LYS 63 lone 4 74 - 5 - 3.9/445=2 HB2 LYS 77 - HE2 LYS 45 lone 4 63 - 6 - HB2 LYS 77 - HE3 LYS 45 lone 4 63 - 6 - HB2 GLU 65 - HE3 LYS 63 lone 4 44 - 9 - 7114/4.8=6, 7101/4.8=2 HB VAL 95 - HE3 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB VAL 95 - HE2 LYS 45 lone 4 100 - 4 - 3.9/445=2 HB2 GLU 65 - HE2 LYS 63 lone 4 42 - 9 - 7114/4.8=6, 7101/4.8=2 HG2 GLN 19 - HE2 LYS 94 lone 3 45 - 8 - 4734/4.9=6 HB VAL 95 - HE3 LYS 61 lone 3 96 - 3 - 3.9/445=1 HG3 PRO 73 - HE3 LYS 63 lone 3 77 - 4 - ~2937=2 HG3 PRO 73 - HE2 LYS 63 lone 3 75 - 4 - ~2937=2 HB2 GLU 65 - HE2 LYS 94 lone 3 41 - 8 - 7114/4.9=3, ~6018=2 HG3 PRO 49 - HE2 LYS 94 lone 3 69 - 4 - ~7192=1 HG2 GLN 19 - HE3 LYS 94 lone 3 38 - 8 - 4734/4.9=6 HG3 PRO 49 - HE3 LYS 45 lone 3 97 - 3 - HG3 PRO 49 - HE2 LYS 45 lone 3 97 - 3 - HB2 GLU 65 - HE3 LYS 94 lone 3 35 - 8 - 7114/4.9=3, ~6018=2 HB2 LYS 77 - HE3 LYS 61 lone 3 57 - 4 - HG3 PRO 49 - HE3 LYS 94 lone 3 60 - 4 - ~7192=1 HB2 LYS 77 - HE2 LYS 44 lone 2 32 - 8 - ~3256=1 HG3 PRO 49 - HE3 LYS 61 lone 2 92 - 3 - HB3 GLU 28 - HE2 LYS 44 lone 2 32 - 8 - 4998/3.9=2 HB2 LYS 77 - HE3 LYS 44 lone 2 30 - 8 - ~3256=1 HB3 GLU 28 - HE3 LYS 44 lone 2 30 - 8 - 4998/3.9=2 HB3 GLU 28 - HE3 LYS 63 lone 2 41 - 5 - HG2 GLN 19 - HE3 LYS 63 lone 2 48 - 4 - 4734/4.8=2 HB3 GLU 28 - HE2 LYS 63 lone 2 40 - 5 - HG2 GLN 19 - HE2 LYS 63 lone 2 46 - 4 - 4734/4.8=2 HG3 PRO 73 - HE2 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 45 lone 2 100 - 2 - HG3 PRO 73 - HE3 LYS 61 lone 2 97 - 2 - HG2 GLN 19 - HE2 LYS 45 lone 2 71 - 2 - HG2 GLN 19 - HE3 LYS 45 lone 2 71 - 2 - HB2 GLU 65 - HE3 LYS 45 lone 2 65 - 2 - HB2 GLU 65 - HE2 LYS 45 lone 2 65 - 2 - HB3 GLU 28 - HE3 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE2 LYS 45 lone 1 63 - 2 - HB3 GLU 28 - HE3 LYS 61 lone 1 57 - 2 - HG3 PRO 73 - HE2 LYS 94 lone 1 74 - 2 - HB VAL 95 - HE2 LYS 44 lone 1 62 - 2 - HB2 GLU 65 - HE3 LYS 61 lone 1 60 - 2 - HB VAL 95 - HE3 LYS 44 lone 1 59 - 2 - HG2 GLN 19 - HE3 LYS 61 lone 1 65 - 2 - HG3 PRO 73 - HE3 LYS 94 lone 1 64 - 2 - HG3 PRO 73 - HE2 LYS 44 lone 1 63 - 2 - HG3 PRO 73 - HE3 LYS 44 lone 1 59 - 2 - HB2 LYS 77 - HE2 LYS 94 lone 1 39 - 2 - HB2 LYS 77 - HE3 LYS 94 lone 1 33 - 2 - HB3 GLU 28 - HE2 LYS 94 lone 1 39 - 2 - HB2 GLU 65 - HE2 LYS 44 lone 1 34 - 2 - HG2 GLN 19 - HE2 LYS 44 lone 1 37 - 2 - HB2 GLU 65 - HE3 LYS 44 lone 1 32 - 2 - HG2 GLN 19 - HE3 LYS 44 lone 1 35 - 2 - HB3 GLU 28 - HE3 LYS 94 lone 1 33 - 2 - Peak 2331 from cnoeabs.peaks (1.51, 2.99, 41.88 ppm; 3.10 A): 6 out of 90 assignments used, quality = 1.00: HG2 LYS 45 + HE2 LYS 45 OK 88 100 - 88 - 3.5=69, 2284/3.0=9...(36) * HG2 LYS 45 + HE3 LYS 45 OK 88 100 - 88 - 3.5=69, 2284/3.0=9...(36) HG2 LYS 94 + HE2 LYS 94 OK 59 70 - 85 - 3.7=60, 3881/3.0=8...(33) HB3 LYS 63 + HE3 LYS 63 OK 53 67 - 78 - 4.8=27, 2912/3.0=12...(37) HG2 LYS 94 + HE3 LYS 94 OK 51 60 - 85 - 3.7=60, 3880/3.0=8...(33) HB3 LYS 63 + HE2 LYS 63 OK 51 65 - 78 - 4.8=27, 2912/3.0=12...(37) HB3 LYS 94 - HE2 LYS 94 OK 36 51 - 71 - 4.9=25, 3887/3.7=9...(29) HB3 LYS 94 - HE3 LYS 94 OK 31 43 - 72 - 4.9=25, 3887/3.7=9...(29) HG2 LYS 94 - HE3 LYS 63 OK 22 73 - 31 - 2.9/3862=2, 2.9/3872=2...(12) HG2 LYS 94 - HE2 LYS 63 OK 22 71 - 31 - 2.9/3862=2, 2.9/3872=2...(12) HB3 LYS 63 - HE2 LYS 94 OK 21 64 - 33 - 1.8/2905=3, 2914/1.8=2...(17) HB3 LYS 63 - HE3 LYS 94 OK 18 55 - 34 - 1.8/2905=3, 2914/1.8=2...(17) HG2 LYS 94 - HE3 LYS 45 OK 18 98 - 18 - 2.9/3862=1, 2.9/3872=1 HG2 LYS 94 - HE2 LYS 45 OK 18 98 - 18 - 2.9/3862=1, 2.9/3872=1 HB3 LYS 94 - HE3 LYS 63 OK 17 53 - 32 - 1.8/3862=2, ~3863=2...(13) HB3 LYS 63 - HE3 LYS 45 OK 16 93 - 17 - 1.8/2905=2, 2915/1.8=1...(5) HB3 LYS 63 - HE2 LYS 45 OK 16 93 - 17 - 1.8/2905=2, 2915/1.8=1...(5) HB3 LYS 94 - HE2 LYS 63 OK 16 52 - 32 - 1.8/3862=2, ~3863=2...(13) HB3 LYS 94 - HE3 LYS 45 OK 15 78 - 19 - 1.8/3862=1, 3868/3.5=1...(4) HB3 LYS 94 - HE2 LYS 45 OK 15 78 - 19 - 1.8/3862=1, 3868/3.5=1...(4) HG2 LYS 94 - HE3 LYS 61 OK 15 93 - 16 - 2121/1.8=2, 3880/2.9=1 HB3 LYS 63 - HE3 LYS 61 OK 12 87 - 14 - 2913/2.9=1, 2913/2.9=1...(4) HB3 LYS 94 - HE3 LYS 61 OK 11 72 - 16 - 3871/2.9=1, 3871/2.9=1 HG2 LYS 45 - HE3 LYS 61 OK 10 97 - 10 - 2121/1.8=1 HG2 LYS 45 - HE2 LYS 94 poor 8 74 - 11 - HG3 LYS 41 - HE3 LYS 61 lone 7 94 - 8 - ~2064=1, 2121/1.8=1 HB3 LEU 62 - HE3 LYS 63 poor 7 71 - 11 - 5950/6.3=2, 4256/6.9=2 HG2 LYS 45 - HE2 LYS 44 poor 7 63 - 12 - 2088/3.9=1 HG2 LYS 45 - HE3 LYS 94 poor 7 64 - 11 - HB3 LEU 62 - HE2 LYS 63 poor 7 69 - 11 - 5950/6.3=2, 4256/6.9=2 HG2 LYS 45 - HE3 LYS 44 poor 7 59 - 12 - 2088/3.9=1 HG13 ILE 93 - HE2 LYS 94 lone 6 72 - 9 - 3875/6.5=2, 4380/7.2=1 HB3 LEU 62 - HE3 LYS 61 lone 6 91 - 7 - HG13 ILE 93 - HE3 LYS 94 lone 5 63 - 9 - 3875/6.5=2, 4380/7.2=1 HG2 LYS 94 - HE2 LYS 44 lone 5 59 - 8 - HG2 LYS 45 - HE3 LYS 63 lone 5 77 - 6 - HG2 LYS 45 - HE2 LYS 63 lone 5 75 - 6 - HG2 LYS 94 - HE3 LYS 44 lone 4 56 - 8 - HB3 LEU 62 - HE2 LYS 94 lone 4 68 - 6 - HB3 LEU 62 - HE3 LYS 94 lone 4 59 - 6 - HG3 LYS 41 - HE2 LYS 45 lone 3 99 - 3 - HG3 LYS 41 - HE3 LYS 45 lone 3 99 - 3 - HB3 LYS 94 - HE2 LYS 44 lone 3 42 - 7 - HB3 LYS 94 - HE3 LYS 44 lone 3 40 - 7 - HG3 LYS 41 - HE2 LYS 94 lone 3 71 - 4 - HG2 LYS 86 - HE2 LYS 94 lone 2 54 - 5 - 3588/4.9=1 HG3 LYS 41 - HE3 LYS 94 lone 2 62 - 4 - HD2 LYS 86 - HE2 LYS 94 lone 2 41 - 5 - 3606/3.7=1 HG2 LYS 86 - HE3 LYS 94 lone 2 47 - 5 - 3588/4.9=1 HB3 LEU 62 - HE3 LYS 45 lone 2 97 - 2 - HB3 LEU 62 - HE2 LYS 45 lone 2 97 - 2 - HB3 LYS 63 - HE2 LYS 44 lone 2 54 - 3 - HD2 LYS 86 - HE3 LYS 94 lone 2 35 - 6 - 3606/3.7=1 HB3 LYS 63 - HE3 LYS 44 lone 2 51 - 3 - HD2 LYS 86 - HE3 LYS 61 lone 1 60 - 2 - HG2 LYS 86 - HE3 LYS 63 lone 1 57 - 2 - HD2 LYS 86 - HE3 LYS 63 lone 1 44 - 3 - HG2 LYS 86 - HE2 LYS 63 lone 1 55 - 2 - HD2 LYS 86 - HE2 LYS 63 lone 1 42 - 3 - HG13 ILE 93 - HE3 LYS 63 lone 1 76 - 2 - HG2 LYS 86 - HE3 LYS 61 lone 1 76 - 2 - HG3 LYS 41 - HE2 LYS 44 lone 1 60 - 2 - HG13 ILE 93 - HE2 LYS 63 lone 1 73 - 2 - HG3 LYS 41 - HE3 LYS 44 lone 1 57 - 2 - HG LEU 53 - HE2 LYS 94 lone 1 61 - 2 - HG2 LYS 86 - HE2 LYS 45 lone 1 83 - 1 - HG2 LYS 86 - HE3 LYS 45 lone 1 83 - 1 - HD2 LYS 86 - HE2 LYS 45 lone 1 65 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 65 - 2 - HG13 ILE 93 - HE2 LYS 45 lone 1 99 - 1 - HG13 ILE 93 - HE3 LYS 45 lone 1 99 - 1 - HG LEU 53 - HE3 LYS 94 lone 1 52 - 2 - HG13 ILE 93 - HE3 LYS 61 lone 1 95 - 1 - HG2 LYS 86 - HE2 LYS 44 lone 1 45 - 2 - HD2 LYS 86 - HE2 LYS 44 lone 1 34 - 2 - HG2 LYS 86 - HE3 LYS 44 lone 1 43 - 2 - HG3 LYS 41 - HE3 LYS 63 lone 1 75 - 1 - HG LEU 53 - HE2 LYS 45 lone 1 90 - 1 - HG LEU 53 - HE3 LYS 45 lone 1 90 - 1 - HB3 LEU 62 - HE2 LYS 44 lone 1 57 - 1 - HG3 LYS 41 - HE2 LYS 63 lone 1 72 - 1 - HD2 LYS 86 - HE3 LYS 44 lone 1 32 - 2 - HB3 LEU 62 - HE3 LYS 44 lone 1 54 - 1 - HG LEU 53 - HE3 LYS 61 lone 1 84 - 1 - HG LEU 53 - HE3 LYS 63 lone 0 64 - 1 - HG LEU 53 - HE2 LYS 63 lone 0 62 - 1 - HG13 ILE 93 - HE2 LYS 44 lone 0 61 - 1 - HG13 ILE 93 - HE3 LYS 44 lone 0 58 - 1 - HG LEU 53 - HE2 LYS 44 lone 0 51 - 0 - HG LEU 53 - HE3 LYS 44 lone 0 48 - 0 - Peak 2332 from cnoeabs.peaks (1.40, 2.99, 41.88 ppm; 3.00 A): 4 out of 63 assignments used, quality = 0.99: HG3 LYS 45 + HE2 LYS 45 OK 82 100 - 82 - 3.5=62, 2296/1.8=5...(26) * HG3 LYS 45 + HE3 LYS 45 OK 82 100 - 82 - 3.5=62, 2296/1.8=5...(26) HG2 LYS 61 + HE3 LYS 61 OK 60 80 - 74 - 3.9=46, 2792/1.8=4...(21) HG3 LYS 61 + HE3 LYS 61 OK 58 78 - 74 - 3.9=46, 2792/1.8=4...(22) HG2 LYS 61 - HE3 LYS 63 OK 11 61 - 18 - 2295=1 HG3 LYS 61 - HE3 LYS 63 OK 11 59 - 18 - HG2 LYS 61 - HE2 LYS 63 OK 11 59 - 18 - 2296=1 HG2 LYS 61 - HE3 LYS 45 OK 10 87 - 12 - HG2 LYS 61 - HE2 LYS 45 OK 10 87 - 12 - HG3 LYS 61 - HE2 LYS 63 OK 10 57 - 18 - HG3 LYS 61 - HE3 LYS 45 OK 10 85 - 12 - HG3 LYS 61 - HE2 LYS 45 OK 10 85 - 12 - HG2 LYS 61 - HE2 LYS 44 poor 9 48 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 61 - HE2 LYS 44 poor 9 47 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG2 LYS 61 - HE3 LYS 44 poor 9 45 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 61 - HE3 LYS 44 poor 8 44 - 19 - 3.0/2773=1, 3.0/2783=1...(4) HG3 LYS 45 - HE3 LYS 61 lone 8 97 - 8 - HG3 LYS 45 - HE2 LYS 44 lone 6 63 - 10 - HG2 LYS 41 - HE3 LYS 61 lone 6 96 - 6 - ~2064=1 HG3 LYS 45 - HE3 LYS 44 lone 6 59 - 10 - HG3 LYS 45 - HE2 LYS 94 lone 6 74 - 8 - QB ALA 78 - HE2 LYS 44 lone 5 62 - 9 - 6441/3.0=2, 6441/3.0=2 QB ALA 78 - HE3 LYS 44 lone 5 59 - 9 - 6441/3.0=2, 6441/3.0=2 HG2 LYS 61 - HE2 LYS 94 lone 5 58 - 9 - HG3 LYS 45 - HE3 LYS 94 lone 5 64 - 8 - HG3 LYS 61 - HE2 LYS 94 lone 5 56 - 9 - HG2 LYS 61 - HE3 LYS 94 lone 4 50 - 9 - QB ALA 78 - HE2 LYS 45 lone 4 100 - 4 - QB ALA 78 - HE3 LYS 45 lone 4 100 - 4 - HG3 LYS 45 - HE3 LYS 63 lone 4 77 - 5 - HG3 LYS 61 - HE3 LYS 94 lone 4 48 - 9 - HG3 LYS 45 - HE2 LYS 63 lone 4 75 - 5 - QB ALA 78 - HE3 LYS 61 lone 4 96 - 4 - HG2 LYS 41 - HE2 LYS 45 lone 3 100 - 3 - HG2 LYS 41 - HE3 LYS 45 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 94 lone 2 56 - 4 - 3616/3.7=1 HD3 LYS 86 - HE3 LYS 61 lone 2 78 - 2 - QB ALA 78 - HE3 LYS 63 lone 2 77 - 2 - HD3 LYS 86 - HE3 LYS 94 lone 2 48 - 4 - 3616/3.7=1 QB ALA 78 - HE2 LYS 63 lone 2 74 - 2 - HG2 LYS 41 - HE2 LYS 94 lone 2 73 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 85 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 85 - 2 - HG2 LYS 41 - HE3 LYS 94 lone 1 63 - 2 - HD3 LYS 86 - HE3 LYS 63 lone 1 59 - 2 - HD3 LYS 86 - HE2 LYS 63 lone 1 57 - 2 - HG2 LYS 41 - HE2 LYS 44 lone 1 61 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 1 58 - 2 - QB ALA 78 - HE2 LYS 94 lone 1 73 - 1 - HD3 LYS 86 - HE2 LYS 44 lone 1 47 - 2 - QB ALA 78 - HE3 LYS 94 lone 1 64 - 1 - HD3 LYS 86 - HE3 LYS 44 lone 1 44 - 2 - HB3 LEU 53 - HE2 LYS 45 lone 1 93 - 1 - HB3 LEU 53 - HE3 LYS 45 lone 1 93 - 1 - HG2 LYS 41 - HE3 LYS 63 lone 1 76 - 1 - HG2 LYS 41 - HE2 LYS 63 lone 1 74 - 1 - HB3 LEU 53 - HE3 LYS 61 lone 0 87 - 1 - HB3 LEU 53 - HE2 LYS 94 lone 0 64 - 1 - HB3 LEU 53 - HE3 LYS 94 lone 0 55 - 1 - HB3 LEU 53 - HE3 LYS 63 lone 0 67 - 0 - HB3 LEU 53 - HE2 LYS 63 lone 0 65 - 0 - HB3 LEU 53 - HE2 LYS 44 lone 0 54 - 0 - HB3 LEU 53 - HE3 LYS 44 lone 0 51 - 0 - Peak 2333 from cnoeabs.peaks (1.70, 2.99, 41.88 ppm; 2.40 A): 6 out of 153 assignments used, quality = 1.00: * HD2 LYS 45 + HE3 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD2 LYS 45 + HE2 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE2 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE3 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 61 + HE3 LYS 61 OK 47 72 - 66 - 2.9=55, 2812/1.8=2...(9) HD2 LYS 61 + HE3 LYS 61 OK 47 72 - 66 - 2.9=55, 2812/1.8=2...(9) HD3 LYS 63 - HE3 LYS 63 OK 35 53 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 34 52 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 94 - HE2 LYS 94 OK 30 43 - 69 - 3.0=54, 1.8/3912=2...(17) HD2 LYS 94 - HE2 LYS 94 OK 30 43 - 69 - 3.0=54, 1.8/3912=2...(17) HD3 LYS 44 - HE2 LYS 44 OK 29 44 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 44 - HE2 LYS 44 OK 28 42 - 67 - 3.0=54, 3.0/2200=2...(17) HD3 LYS 44 - HE3 LYS 44 OK 28 41 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 44 - HE3 LYS 44 OK 27 40 - 67 - 3.0=54, 3.0/2200=2...(17) HD2 LYS 94 - HE3 LYS 94 OK 25 37 - 69 - 3.0=54, 1.8/3912=2...(17) HD3 LYS 94 - HE3 LYS 94 OK 25 37 - 69 - 3.0=54, 1.8/3912=2...(17) HD2 LYS 94 - HE3 LYS 63 poor 7 46 - 16 - HD3 LYS 94 - HE3 LYS 63 poor 7 46 - 16 - HD3 LYS 94 - HE2 LYS 63 poor 7 44 - 16 - HD2 LYS 94 - HE2 LYS 63 poor 7 44 - 16 - HD3 LYS 44 - HE3 LYS 61 lone 7 74 - 9 - HD2 LYS 44 - HE3 LYS 61 lone 6 72 - 9 - HD3 LYS 94 - HE3 LYS 45 lone 6 68 - 9 - HD3 LYS 94 - HE2 LYS 45 lone 6 68 - 9 - HD2 LYS 94 - HE2 LYS 45 lone 6 68 - 9 - HD2 LYS 94 - HE3 LYS 45 lone 6 68 - 9 - HD3 LYS 44 - HE3 LYS 45 lone 5 81 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 5 81 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 5 78 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 5 78 - 7 - HD3 LYS 35 - HE3 LYS 61 lone 5 80 - 6 - HD3 LYS 61 - HE3 LYS 63 lone 4 53 - 8 - HD2 LYS 61 - HE3 LYS 63 lone 4 53 - 8 - HD3 LYS 61 - HE2 LYS 63 lone 4 52 - 8 - HD2 LYS 61 - HE2 LYS 63 lone 4 52 - 8 - HD3 LYS 61 - HE3 LYS 45 lone 4 78 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 78 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 4 78 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 4 78 - 5 - HD3 LYS 63 - HE2 LYS 94 lone 4 51 - 8 - HD2 LYS 94 - HE3 LYS 61 lone 4 62 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 4 62 - 7 - HD3 LYS 63 - HE3 LYS 94 lone 4 43 - 9 - HD2 LYS 45 - HE3 LYS 61 lone 4 97 - 4 - HD3 LYS 45 - HE3 LYS 61 lone 4 96 - 4 - HD3 LYS 35 - HE2 LYS 44 lone 4 48 - 7 - HD3 LYS 35 - HE3 LYS 44 lone 3 45 - 7 - HD3 LYS 63 - HE3 LYS 45 lone 3 78 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 78 - 4 - HD2 LYS 61 - HE2 LYS 44 lone 3 42 - 7 - HD3 LYS 61 - HE2 LYS 44 lone 3 42 - 7 - HD2 LYS 61 - HE3 LYS 44 lone 3 40 - 7 - HD3 LYS 61 - HE3 LYS 44 lone 3 40 - 7 - HD2 LYS 45 - HE2 LYS 44 lone 3 63 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 62 - 4 - HD2 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD3 LYS 63 - HE3 LYS 61 lone 3 72 - 4 - HD3 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD2 LYS 45 - HE3 LYS 44 lone 2 59 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 2 59 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 61 - HE2 LYS 94 lone 2 51 - 4 - HD2 LYS 61 - HE2 LYS 94 lone 2 51 - 4 - HD2 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD3 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 61 - HE3 LYS 94 lone 2 43 - 4 - HD2 LYS 61 - HE3 LYS 94 lone 2 43 - 4 - HD3 LYS 94 - HE2 LYS 44 lone 1 36 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 1 36 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 1 33 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 1 33 - 4 - HD3 LYS 44 - HE2 LYS 94 lone 1 52 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 51 - 2 - HD2 LYS 77 - HE3 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 100 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 45 - 2 - HD2 LYS 44 - HE3 LYS 94 lone 1 43 - 2 - HD2 LYS 77 - HE3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HE3 LYS 63 lone 1 77 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 1 75 - 1 - HD3 LYS 44 - HE3 LYS 63 lone 1 55 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD3 LYS 44 - HE2 LYS 63 lone 1 53 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 53 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 59 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 52 - 1 - HB ILE 80 - HE3 LYS 45 lone 1 89 - 1 - HB ILE 80 - HE2 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 91 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 87 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 87 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 0 42 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 0 55 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 0 40 - 1 - HB2 LEU 53 - HE2 LYS 45 lone 0 89 - 0 - HB2 LEU 53 - HE3 LYS 45 lone 0 89 - 0 - HG2 ARG 57 - HE2 LYS 63 lone 0 53 - 1 - HB ILE 40 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 81 - 0 - HG3 ARG 57 - HE3 LYS 63 lone 0 52 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 0 50 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 97 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 97 - 0 - HB ILE 40 - HE2 LYS 44 lone 0 44 - 1 - HG2 ARG 57 - HE3 LYS 45 lone 0 81 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 80 - HE3 LYS 63 lone 0 63 - 0 - HG12 ILE 39 - HE2 LYS 94 lone 0 68 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 74 - 0 - HG12 ILE 39 - HE2 LYS 44 lone 0 57 - 0 - HB ILE 40 - HE3 LYS 44 lone 0 41 - 1 - HB ILE 80 - HE2 LYS 63 lone 0 60 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 74 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 76 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 76 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 82 - 0 - HG12 ILE 39 - HE3 LYS 44 lone 0 54 - 0 - HB ILE 40 - HE3 LYS 63 lone 0 55 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 53 - 0 - HG12 ILE 39 - HE3 LYS 94 lone 0 59 - 0 - HD3 LYS 35 - HE3 LYS 63 lone 0 61 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 64 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 58 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 59 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 82 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 52 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 71 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 74 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 69 - 0 - HG2 ARG 57 - HE2 LYS 94 lone 0 52 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 69 - 0 - HD3 LYS 35 - HE3 LYS 94 lone 0 50 - 0 - HG3 ARG 57 - HE2 LYS 94 lone 0 49 - 0 - HB ILE 40 - HE3 LYS 94 lone 0 45 - 0 - HB2 LEU 53 - HE2 LYS 94 lone 0 59 - 0 - HG2 ARG 57 - HE3 LYS 94 lone 0 45 - 0 - HB ILE 80 - HE2 LYS 94 lone 0 59 - 0 - HB ILE 80 - HE2 LYS 44 lone 0 50 - 0 - HG3 ARG 57 - HE3 LYS 94 lone 0 42 - 0 - HB2 LEU 53 - HE3 LYS 63 lone 0 63 - 0 - HB2 LEU 53 - HE2 LYS 63 lone 0 60 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 94 lone 0 51 - 0 - HB ILE 80 - HE3 LYS 94 lone 0 51 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 44 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 50 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 41 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 40 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 47 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 38 - 0 - Peak 2334 from cnoeabs.peaks (1.70, 2.99, 41.88 ppm; 2.40 A): 6 out of 153 assignments used, quality = 1.00: HD2 LYS 45 + HE3 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD2 LYS 45 + HE2 LYS 45 OK 68 100 - 68 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 45 + HE2 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) * HD3 LYS 45 + HE3 LYS 45 OK 67 100 - 67 - 3.0=52, 2284/3.5=4...(13) HD3 LYS 61 + HE3 LYS 61 OK 50 76 - 66 - 2.9=55, 2822/1.8=2...(9) HD2 LYS 61 + HE3 LYS 61 OK 50 76 - 66 - 2.9=55, 2822/1.8=2...(9) HD3 LYS 63 - HE3 LYS 63 OK 37 57 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 36 55 - 65 - 3.0=54, 3.9/2905=2...(10) HD3 LYS 94 - HE2 LYS 94 OK 32 47 - 69 - 3.0=53, 3891/3.7=2...(17) HD2 LYS 94 - HE2 LYS 94 OK 32 47 - 69 - 3.0=53, 3891/3.7=2...(17) HD3 LYS 44 - HE2 LYS 44 OK 31 47 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 44 - HE2 LYS 44 OK 30 45 - 67 - 3.0=53, 3.0/2200=2...(17) HD3 LYS 44 - HE3 LYS 44 OK 30 44 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 44 - HE3 LYS 44 OK 29 43 - 67 - 3.0=53, 3.0/2200=2...(17) HD2 LYS 94 - HE3 LYS 94 OK 27 40 - 69 - 3.0=53, 3890/3.7=2...(17) HD3 LYS 94 - HE3 LYS 94 OK 27 40 - 69 - 3.0=53, 3890/3.7=2...(17) HD3 LYS 94 - HE3 LYS 63 poor 8 50 - 17 - HD2 LYS 94 - HE3 LYS 63 poor 8 50 - 17 - HD3 LYS 94 - HE2 LYS 63 poor 8 48 - 17 - HD2 LYS 94 - HE2 LYS 63 poor 8 48 - 17 - HD3 LYS 44 - HE3 LYS 61 lone 7 78 - 9 - HD2 LYS 44 - HE3 LYS 61 lone 7 76 - 9 - HD2 LYS 94 - HE2 LYS 45 lone 6 73 - 9 - HD2 LYS 94 - HE3 LYS 45 lone 6 73 - 9 - HD3 LYS 94 - HE3 LYS 45 lone 6 73 - 9 - HD3 LYS 94 - HE2 LYS 45 lone 6 73 - 9 - HD3 LYS 44 - HE2 LYS 45 lone 6 85 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 6 85 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 5 83 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 5 83 - 7 - HD3 LYS 61 - HE3 LYS 63 lone 5 57 - 8 - HD2 LYS 61 - HE3 LYS 63 lone 5 57 - 8 - HD3 LYS 35 - HE3 LYS 61 lone 5 84 - 6 - HD3 LYS 63 - HE2 LYS 94 lone 5 54 - 9 - HD2 LYS 61 - HE2 LYS 63 lone 5 55 - 8 - HD3 LYS 61 - HE2 LYS 63 lone 5 55 - 8 - HD3 LYS 61 - HE2 LYS 45 lone 4 83 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 4 83 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 83 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 4 83 - 5 - HD2 LYS 94 - HE3 LYS 61 lone 4 67 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 4 67 - 7 - HD3 LYS 63 - HE3 LYS 94 lone 4 47 - 9 - HD3 LYS 35 - HE2 LYS 44 lone 4 51 - 7 - HD2 LYS 45 - HE3 LYS 61 lone 4 96 - 4 - HD3 LYS 45 - HE3 LYS 61 lone 4 97 - 4 - HD3 LYS 35 - HE3 LYS 44 lone 4 48 - 7 - HD3 LYS 61 - HE2 LYS 44 lone 3 45 - 7 - HD2 LYS 61 - HE2 LYS 44 lone 3 45 - 7 - HD3 LYS 63 - HE3 LYS 45 lone 3 83 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 83 - 4 - HD3 LYS 61 - HE3 LYS 44 lone 3 43 - 7 - HD2 LYS 61 - HE3 LYS 44 lone 3 43 - 7 - HD3 LYS 63 - HE3 LYS 61 lone 3 76 - 4 - HD2 LYS 45 - HE2 LYS 44 lone 3 62 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 63 - 4 - HD2 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD3 LYS 45 - HE2 LYS 94 lone 3 74 - 3 - HD2 LYS 61 - HE2 LYS 94 lone 3 54 - 5 - HD3 LYS 61 - HE2 LYS 94 lone 3 54 - 5 - HD2 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD3 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD3 LYS 45 - HE3 LYS 63 lone 2 77 - 3 - HD2 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE3 LYS 94 lone 2 64 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 2 75 - 3 - HD2 LYS 61 - HE3 LYS 94 lone 2 47 - 5 - HD3 LYS 61 - HE3 LYS 94 lone 2 47 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 1 39 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 1 39 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 1 37 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 1 37 - 4 - HD3 LYS 44 - HE2 LYS 94 lone 1 56 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 54 - 2 - HD3 LYS 44 - HE3 LYS 94 lone 1 48 - 2 - HD2 LYS 44 - HE3 LYS 94 lone 1 47 - 2 - HD2 LYS 77 - HE3 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 100 - 1 - HD2 LYS 77 - HE3 LYS 63 lone 1 77 - 1 - HD3 LYS 44 - HE3 LYS 63 lone 1 59 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 1 75 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 57 - 1 - HD3 LYS 44 - HE2 LYS 63 lone 1 57 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 55 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 59 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 0 93 - 1 - HB ILE 80 - HE3 LYS 45 lone 0 85 - 1 - HB ILE 80 - HE2 LYS 45 lone 0 85 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 0 90 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 90 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 0 59 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 0 45 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 0 57 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 0 55 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 0 43 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 0 53 - 1 - HB ILE 40 - HE2 LYS 45 lone 0 85 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 85 - 0 - HB2 LEU 53 - HE3 LYS 45 lone 0 85 - 0 - HB2 LEU 53 - HE2 LYS 45 lone 0 85 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 98 - 0 - HG12 ILE 39 - HE3 LYS 45 lone 0 98 - 0 - HB ILE 40 - HE2 LYS 44 lone 0 47 - 1 - HB ILE 40 - HE3 LYS 44 lone 0 44 - 1 - HG12 ILE 39 - HE2 LYS 94 lone 0 70 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 85 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 85 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 78 - 0 - HG12 ILE 39 - HE2 LYS 44 lone 0 59 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 61 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 81 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 81 - 0 - HB ILE 40 - HE3 LYS 63 lone 0 59 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 74 - 0 - HG12 ILE 39 - HE3 LYS 44 lone 0 56 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 57 - 0 - HD3 LYS 35 - HE3 LYS 63 lone 0 64 - 0 - HG12 ILE 39 - HE3 LYS 94 lone 0 60 - 0 - HB ILE 80 - HE3 LYS 63 lone 0 59 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 62 - 0 - HB ILE 80 - HE2 LYS 63 lone 0 57 - 0 - HB2 LEU 53 - HE3 LYS 61 lone 0 78 - 0 - HG2 ARG 57 - HE2 LYS 94 lone 0 56 - 0 - HD3 LYS 35 - HE3 LYS 94 lone 0 52 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 40 - HE3 LYS 94 lone 0 48 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 78 - 0 - HG3 ARG 57 - HE2 LYS 94 lone 0 52 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 73 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 71 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 74 - 0 - HB ILE 80 - HE3 LYS 61 lone 0 78 - 0 - HG2 ARG 57 - HE3 LYS 94 lone 0 48 - 0 - HG3 ARG 57 - HE3 LYS 94 lone 0 45 - 0 - HB2 LEU 53 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 80 - HE2 LYS 94 lone 0 56 - 0 - HB ILE 80 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 63 lone 0 59 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE2 LYS 63 lone 0 57 - 0 - HB2 LEU 53 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 80 - HE3 LYS 44 lone 0 44 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 44 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 44 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 41 - 0 - HB ILE 80 - HE3 LYS 94 lone 0 48 - 0 - HB2 LEU 53 - HE2 LYS 44 lone 0 47 - 0 - HB2 LEU 53 - HE3 LYS 44 lone 0 44 - 0 - Peak 2335 from cnoeabs.peaks (2.99, 2.99, 41.88 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: HE2 LYS 45 + HE2 LYS 45 OK 100 100 - 100 HE3 LYS 45 + HE3 LYS 45 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 93 93 - 100 HE3 LYS 63 + HE3 LYS 63 OK 66 66 - 100 HE2 LYS 94 + HE2 LYS 94 OK 64 64 - 100 HE2 LYS 63 + HE2 LYS 63 OK 62 62 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 44 - HE2 LYS 44 OK 40 40 - 100 HE3 LYS 44 - HE3 LYS 44 OK 37 37 - 100 Reference assignment not found: HE2 LYS 45 - HE3 LYS 45 Peak 2336 from cnoeabs.peaks (2.99, 2.99, 41.88 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: HE2 LYS 45 + HE2 LYS 45 OK 100 100 - 100 * HE3 LYS 45 + HE3 LYS 45 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 93 93 - 100 HE3 LYS 63 + HE3 LYS 63 OK 66 66 - 100 HE2 LYS 94 + HE2 LYS 94 OK 64 64 - 100 HE2 LYS 63 + HE2 LYS 63 OK 62 62 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 44 - HE2 LYS 44 OK 40 40 - 100 HE3 LYS 44 - HE3 LYS 44 OK 37 37 - 100 Peak 2337 from cnoeabs.peaks (7.42, 4.47, 60.67 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HA THR 46 OK 100 100 - 100 - 2.9=100 Peak 2338 from cnoeabs.peaks (4.47, 4.47, 60.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HA THR 46 OK 100 100 - 100 Peak 2339 from cnoeabs.peaks (4.39, 4.47, 60.67 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + HA THR 46 OK 100 100 - 100 - 3.0=100 Peak 2340 from cnoeabs.peaks (1.13, 4.47, 60.67 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + HA THR 46 OK 100 100 - 100 - 3.2=100 Peak 2341 from cnoeabs.peaks (7.42, 4.39, 70.74 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HB THR 46 OK 100 100 - 100 - 4.1=100 Peak 2342 from cnoeabs.peaks (4.47, 4.39, 70.74 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HB THR 46 OK 100 100 - 100 - 3.0=100 Peak 2343 from cnoeabs.peaks (4.39, 4.39, 70.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + HB THR 46 OK 100 100 - 100 Peak 2344 from cnoeabs.peaks (1.13, 4.39, 70.74 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + HB THR 46 OK 100 100 - 100 - 2.1=100 Peak 2345 from cnoeabs.peaks (7.42, 1.13, 20.93 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.92: * H THR 46 + QG2 THR 46 OK 92 100 - 92 - 4.0=73, 2.9/2346=29...(12) H ALA 76 - QG2 THR 46 lone 6 81 - 7 - 4.6/5570=2, 207/4.3=1 QD PHE 34 - QG2 THR 46 lone 5 99 - 5 - 207/4.3=2 Peak 2346 from cnoeabs.peaks (4.47, 1.13, 20.93 ppm; 3.18 A): 1 out of 4 assignments used, quality = 0.99: * HA THR 46 + QG2 THR 46 OK 99 100 - 99 - 3.2=98, 2.9/799=21...(5) HA ASP 84 - QG2 THR 46 lone 4 96 - 4 - HA LYS 86 - QG2 THR 46 lone 2 99 - 2 - HA PHE 88 - QG2 THR 46 lone 1 96 - 1 - Peak 2347 from cnoeabs.peaks (4.39, 1.13, 20.93 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + QG2 THR 46 OK 100 100 - 100 - 2.1=100 Peak 2348 from cnoeabs.peaks (1.13, 1.13, 20.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + QG2 THR 46 OK 100 100 - 100 Peak 2349 from cnoeabs.peaks (8.64, 3.67, 45.62 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + HA2 GLY 47 OK 100 100 - 100 - 3.0=100 Peak 2350 from cnoeabs.peaks (3.67, 3.67, 45.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 47 + HA2 GLY 47 OK 100 100 - 100 Peak 2351 from cnoeabs.peaks (4.18, 3.67, 45.62 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 47 + HA2 GLY 47 OK 100 100 - 100 - 1.8=100 Peak 2352 from cnoeabs.peaks (8.64, 4.18, 45.62 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + HA3 GLY 47 OK 100 100 - 100 - 3.0=100 Peak 2353 from cnoeabs.peaks (3.67, 4.18, 45.62 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 47 + HA3 GLY 47 OK 100 100 - 100 - 1.8=100 Peak 2354 from cnoeabs.peaks (4.18, 4.18, 45.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 47 + HA3 GLY 47 OK 100 100 - 100 HA3 GLY 60 + HA3 GLY 60 OK 100 100 - 100 Peak 2355 from cnoeabs.peaks (7.66, 4.67, 52.98 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 48 + HA GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2356 from cnoeabs.peaks (4.67, 4.67, 52.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + HA GLN 48 OK 100 100 - 100 Peak 2357 from cnoeabs.peaks (1.81, 4.67, 52.98 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 48 + HA GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2358 from cnoeabs.peaks (2.19, 4.67, 52.98 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HA GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2359 from cnoeabs.peaks (2.34, 4.67, 52.98 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HA GLN 48 OK 100 100 - 100 - 3.7=100 Peak 2360 from cnoeabs.peaks (2.41, 4.67, 52.98 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HA GLN 48 OK 100 100 - 100 - 3.7=100 Peak 2363 from cnoeabs.peaks (7.66, 1.81, 29.03 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.96: * H GLN 48 + HB2 GLN 48 OK 96 100 - 96 - 3.8=81, 807/3.0=28...(13) HD21 ASN 43 - HB2 GLN 48 OK 37 99 - 37 - 3.5/5611=16, 3.5/5537=7...(7) H TYR 54 - HB2 GLN 48 lone 5 93 - 5 - 5828/5612=1 H SER 69 - HB2 GLN 48 lone 4 78 - 5 - HE22 GLN 36 - HB2 GLN 48 lone 3 65 - 4 - 2387/3.0=1 HD22 ASN 24 - HB2 GLN 48 lone 1 68 - 1 - Peak 2364 from cnoeabs.peaks (4.67, 1.81, 29.03 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + HB2 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2365 from cnoeabs.peaks (1.81, 1.81, 29.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 48 + HB2 GLN 48 OK 100 100 - 100 Peak 2366 from cnoeabs.peaks (2.19, 1.81, 29.03 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HB2 GLN 48 OK 100 100 - 100 - 1.8=100 Peak 2367 from cnoeabs.peaks (2.34, 1.81, 29.03 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HB2 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2368 from cnoeabs.peaks (2.41, 1.81, 29.03 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HB2 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2371 from cnoeabs.peaks (7.66, 2.19, 29.03 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 48 + HB3 GLN 48 OK 100 100 - 100 - 3.8=100 Peak 2372 from cnoeabs.peaks (4.67, 2.19, 29.03 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + HB3 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2373 from cnoeabs.peaks (1.81, 2.19, 29.03 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 48 + HB3 GLN 48 OK 100 100 - 100 - 1.8=100 Peak 2374 from cnoeabs.peaks (2.19, 2.19, 29.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HB3 GLN 48 OK 100 100 - 100 Peak 2375 from cnoeabs.peaks (2.34, 2.19, 29.03 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HB3 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2376 from cnoeabs.peaks (2.41, 2.19, 29.03 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HB3 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2379 from cnoeabs.peaks (7.66, 2.34, 33.12 ppm; 3.74 A): 2 out of 6 assignments used, quality = 0.92: * H GLN 48 + HG2 GLN 48 OK 90 100 - 90 - 807=46, 808/1.8=38...(12) HD21 ASN 43 + HG2 GLN 48 OK 20 99 - 20 - 2363/3.0=7, 2387/1.8=7...(5) HE22 GLN 36 - HG2 GLN 48 lone 5 65 - 7 - ~7172=2, 2387/1.8=2...(4) H TYR 54 - HG2 GLN 48 lone 4 93 - 4 - 2363/3.0=1, 2387/1.8=1 H SER 69 - HG2 GLN 48 lone 4 78 - 4 - 2387/1.8=1 HD22 ASN 24 - HG2 GLN 48 lone 1 68 - 2 - Peak 2380 from cnoeabs.peaks (4.67, 2.34, 33.12 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 3.7=100 Peak 2381 from cnoeabs.peaks (1.81, 2.34, 33.12 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2382 from cnoeabs.peaks (2.19, 2.34, 33.12 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2383 from cnoeabs.peaks (2.34, 2.34, 33.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HG2 GLN 48 OK 100 100 - 100 Peak 2384 from cnoeabs.peaks (2.41, 2.34, 33.12 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 1.8=100 Peak 2385 from cnoeabs.peaks (7.58, 2.34, 33.12 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 2386 from cnoeabs.peaks (6.98, 2.34, 33.12 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 48 + HG2 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 2387 from cnoeabs.peaks (7.66, 2.41, 33.12 ppm; 3.90 A): 2 out of 6 assignments used, quality = 0.94: * H GLN 48 + HG3 GLN 48 OK 92 100 - 92 - 5.0=48, 807/1.8=42...(14) HD21 ASN 43 + HG3 GLN 48 OK 29 99 - 29 - 2363/3.0=8, 3.5/5528=7...(7) HE22 GLN 36 - HG3 GLN 48 lone 6 65 - 9 - ~7172=2, 2379/1.8=2...(4) H TYR 54 - HG3 GLN 48 lone 4 93 - 4 - 2379/1.8=1, 2363/3.0=1 H SER 69 - HG3 GLN 48 lone 4 78 - 5 - 2379/1.8=1 HD22 ASN 24 - HG3 GLN 48 lone 1 68 - 2 - Peak 2388 from cnoeabs.peaks (4.67, 2.41, 33.12 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 3.7=100 Peak 2389 from cnoeabs.peaks (1.81, 2.41, 33.12 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2390 from cnoeabs.peaks (2.19, 2.41, 33.12 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 3.0=100 Peak 2391 from cnoeabs.peaks (2.34, 2.41, 33.12 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 1.8=100 Peak 2392 from cnoeabs.peaks (2.41, 2.41, 33.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 48 + HG3 GLN 48 OK 100 100 - 100 Peak 2393 from cnoeabs.peaks (7.58, 2.41, 33.12 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 2394 from cnoeabs.peaks (6.98, 2.41, 33.12 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 48 + HG3 GLN 48 OK 100 100 - 100 - 3.5=100 Peak 2396 from cnoeabs.peaks (2.22, 3.84, 50.24 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HD2 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2397 from cnoeabs.peaks (1.56, 3.84, 50.24 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HD2 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2398 from cnoeabs.peaks (2.00, 3.84, 50.24 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 49 + HD2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2399 from cnoeabs.peaks (1.94, 3.84, 50.24 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HD2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2400 from cnoeabs.peaks (3.84, 3.84, 50.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HD2 PRO 49 OK 100 100 - 100 Peak 2401 from cnoeabs.peaks (3.67, 3.84, 50.24 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HD2 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2402 from cnoeabs.peaks (4.59, 3.67, 50.24 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 3.6=100 Peak 2403 from cnoeabs.peaks (2.22, 3.67, 50.24 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2404 from cnoeabs.peaks (1.56, 3.67, 50.24 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2405 from cnoeabs.peaks (2.00, 3.67, 50.24 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 2.3=100 HG3 PRO 74 + HD2 PRO 74 OK 53 53 - 100 - 2.3=100 Peak 2406 from cnoeabs.peaks (1.94, 3.67, 50.24 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2407 from cnoeabs.peaks (3.84, 3.67, 50.24 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HD3 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2408 from cnoeabs.peaks (3.67, 3.67, 50.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 49 + HD3 PRO 49 OK 100 100 - 100 HD2 PRO 74 + HD2 PRO 74 OK 49 49 - 100 Peak 2409 from cnoeabs.peaks (4.59, 4.59, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HA PRO 49 OK 100 100 - 100 Peak 2410 from cnoeabs.peaks (2.22, 4.59, 62.40 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HA PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2411 from cnoeabs.peaks (1.56, 4.59, 62.40 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HA PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2412 from cnoeabs.peaks (2.00, 4.59, 62.40 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 49 + HA PRO 49 OK 100 100 - 100 - 3.8=100 Peak 2413 from cnoeabs.peaks (1.94, 4.59, 62.40 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HA PRO 49 OK 100 100 - 100 - 3.8=100 Peak 2415 from cnoeabs.peaks (3.67, 4.59, 62.40 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HA PRO 49 OK 100 100 - 100 - 3.6=100 Peak 2416 from cnoeabs.peaks (4.59, 2.22, 32.31 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2417 from cnoeabs.peaks (2.22, 2.22, 32.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HB2 PRO 49 OK 100 100 - 100 Peak 2418 from cnoeabs.peaks (1.56, 2.22, 32.31 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2419 from cnoeabs.peaks (2.00, 2.22, 32.31 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2420 from cnoeabs.peaks (1.94, 2.22, 32.31 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2421 from cnoeabs.peaks (3.84, 2.22, 32.31 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2422 from cnoeabs.peaks (3.67, 2.22, 32.31 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HB2 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2423 from cnoeabs.peaks (4.59, 1.56, 32.31 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2424 from cnoeabs.peaks (2.22, 1.56, 32.31 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2425 from cnoeabs.peaks (1.56, 1.56, 32.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HB3 PRO 49 OK 100 100 - 100 Peak 2426 from cnoeabs.peaks (2.00, 1.56, 32.31 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2427 from cnoeabs.peaks (1.94, 1.56, 32.31 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2428 from cnoeabs.peaks (3.84, 1.56, 32.31 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2429 from cnoeabs.peaks (3.67, 1.56, 32.31 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HB3 PRO 49 OK 100 100 - 100 - 3.0=100 Peak 2430 from cnoeabs.peaks (4.59, 2.00, 27.25 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 3.8=100 Peak 2431 from cnoeabs.peaks (2.22, 2.00, 27.25 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2432 from cnoeabs.peaks (1.56, 2.00, 27.25 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2433 from cnoeabs.peaks (2.00, 2.00, 27.25 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 49 + HG2 PRO 49 OK 100 100 - 100 HG2 PRO 92 - HG2 PRO 92 OK 30 30 - 100 Peak 2434 from cnoeabs.peaks (1.94, 2.00, 27.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2435 from cnoeabs.peaks (3.84, 2.00, 27.25 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2436 from cnoeabs.peaks (3.67, 2.00, 27.25 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HG2 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2437 from cnoeabs.peaks (4.59, 1.94, 27.25 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 3.8=100 Peak 2438 from cnoeabs.peaks (2.22, 1.94, 27.25 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2439 from cnoeabs.peaks (1.56, 1.94, 27.25 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2440 from cnoeabs.peaks (2.00, 1.94, 27.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 1.8=100 Peak 2441 from cnoeabs.peaks (1.94, 1.94, 27.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 49 + HG3 PRO 49 OK 100 100 - 100 Peak 2442 from cnoeabs.peaks (3.84, 1.94, 27.25 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2443 from cnoeabs.peaks (3.67, 1.94, 27.25 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 49 + HG3 PRO 49 OK 100 100 - 100 - 2.3=100 Peak 2444 from cnoeabs.peaks (8.88, 4.43, 55.09 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H MET 50 + HA MET 50 OK 100 100 - 100 - 3.0=100 Peak 2445 from cnoeabs.peaks (4.43, 4.43, 55.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 50 + HA MET 50 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (1.65, 4.43, 55.09 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 50 + HA MET 50 OK 100 100 - 100 - 3.0=100 Peak 2447 from cnoeabs.peaks (2.03, 4.43, 55.09 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 50 + HA MET 50 OK 100 100 - 100 - 3.0=100 Peak 2448 from cnoeabs.peaks (2.27, 4.43, 55.09 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.98: * HG2 MET 50 + HA MET 50 OK 98 100 - 98 - 3.8=91, 1.8/2449=29...(16) HB3 LYS 86 - HA MET 50 OK 13 98 - 13 - 2466=4, 815/3.0=4...(4) HG2 GLU 28 - HA MET 50 lone 7 97 - 7 - 225/3.6=2, 815/3.0=2 HB3 PRO 73 - HA MET 50 lone 7 71 - 9 - 815/3.0=2, ~7052=2...(4) HG3 GLU 23 - HA MET 50 lone 4 78 - 4 - HG3 GLN 36 - HA MET 50 lone 1 57 - 1 - Peak 2449 from cnoeabs.peaks (2.38, 4.43, 55.09 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.95: * HG3 MET 50 + HA MET 50 OK 95 100 - 95 - 3.8=78, 1.8/2448=25...(16) HB3 ASP 71 - HA MET 50 OK 14 100 - 14 - 226/3.6=4, 816/3.0=3...(4) HB3 PRO 74 - HA MET 50 lone 10 100 - 9 - 816/3.0=3, ~220=2...(4) HG2 PRO 73 - HA MET 50 lone 5 78 - 7 - 816/3.0=2, 2.3/2448=2, ~218=1 HG3 GLN 48 - HA MET 50 lone 2 57 - 3 - Peak 2450 from cnoeabs.peaks (2.03, 4.43, 55.09 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 50 + HA MET 50 OK 100 100 - 100 - 3.0=100 Reference assignment not found: QE MET 50 - HA MET 50 Peak 2451 from cnoeabs.peaks (8.88, 1.65, 30.35 ppm; 3.39 A): 2 out of 2 assignments used, quality = 0.93: * H MET 50 + HB2 MET 50 OK 91 100 - 91 - 4.0=60, 2458/1.8=24...(15) H PHE 97 + HB2 MET 50 OK 27 96 - 28 - 2458/1.8=7, 2472/2.9=6...(6) Peak 2452 from cnoeabs.peaks (4.43, 1.65, 30.35 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 50 + HB2 MET 50 OK 100 100 - 100 - 3.0=100 Peak 2453 from cnoeabs.peaks (1.65, 1.65, 30.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 50 + HB2 MET 50 OK 100 100 - 100 Peak 2454 from cnoeabs.peaks (2.03, 1.65, 30.35 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 50 + HB2 MET 50 OK 100 100 - 100 - 1.8=100 Peak 2455 from cnoeabs.peaks (2.27, 1.65, 30.35 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 50 + HB2 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2456 from cnoeabs.peaks (2.38, 1.65, 30.35 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 50 + HB2 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2457 from cnoeabs.peaks (2.03, 1.65, 30.35 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 50 + HB2 MET 50 OK 100 100 - 100 - 1.8=100 Reference assignment not found: QE MET 50 - HB2 MET 50 Peak 2458 from cnoeabs.peaks (8.88, 2.03, 30.35 ppm; 3.57 A): 1 out of 4 assignments used, quality = 0.95: * H MET 50 + HB3 MET 50 OK 95 100 - 95 - 4.0=70, 2451/1.8=30...(16) H PHE 97 - HB3 MET 50 OK 29 96 - 30 - 2451/1.8=9, 2472/2.9=6...(6) H MET 50 - HB2 GLU 23 lone 3 61 - 5 - H PHE 97 - HB2 GLU 23 lone 1 54 - 2 - Peak 2459 from cnoeabs.peaks (4.43, 2.03, 30.35 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 50 + HB3 MET 50 OK 100 100 - 100 - 3.0=100 Peak 2460 from cnoeabs.peaks (1.65, 2.03, 30.35 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 50 + HB3 MET 50 OK 100 100 - 100 - 1.8=100 Peak 2461 from cnoeabs.peaks (2.03, 2.03, 30.35 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 50 + HB3 MET 50 OK 100 100 - 100 HB2 GLU 23 - HB2 GLU 23 OK 39 39 - 100 Peak 2462 from cnoeabs.peaks (2.27, 2.03, 30.35 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 50 + HB3 MET 50 OK 100 100 - 100 - 2.9=100 HG3 GLU 23 - HB2 GLU 23 OK 41 41 - 100 - 3.0=100 Peak 2463 from cnoeabs.peaks (2.38, 2.03, 30.35 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 50 + HB3 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2464 from cnoeabs.peaks (2.03, 2.03, 30.35 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: HB3 MET 50 + HB3 MET 50 OK 100 100 - 100 HB2 GLU 23 - HB2 GLU 23 OK 33 33 - 100 Reference assignment not found: QE MET 50 - HB3 MET 50 Peak 2465 from cnoeabs.peaks (8.88, 2.27, 32.38 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.94: * H MET 50 + HG2 MET 50 OK 91 100 - 91 - 5.0=38, 2472/1.8=25...(14) H PHE 97 + HG2 MET 50 OK 28 96 - 29 - 2472/1.8=8, 2451/2.9=7...(6) H MET 50 + HB3 LYS 86 OK 14 89 - 16 - 815=6, 3.0/2448=3...(5) H PHE 97 - HB3 LYS 86 lone 2 81 - 3 - Peak 2466 from cnoeabs.peaks (4.43, 2.27, 32.38 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.96: * HA MET 50 + HG2 MET 50 OK 96 100 - 96 - 3.8=80, 2473/1.8=27...(15) HA ASP 71 - HG2 MET 50 OK 22 95 - 23 - 2473/1.8=7, 2480/3.3=5...(8) HA MET 50 - HB3 LYS 86 OK 11 89 - 12 - 2448=4, 3.0/815=3...(4) HA THR 59 - HG2 MET 50 lone 6 99 - 6 - 2473/1.8=2, 2480/3.3=1 HA ASP 71 - HB3 LYS 86 lone 4 80 - 5 - HA PRO 74 - HG2 MET 50 lone 4 78 - 5 - 2473/1.8=1 HA THR 59 - HB3 LYS 86 lone 3 87 - 4 - HA PRO 73 - HG2 MET 50 lone 2 60 - 3 - HA PRO 74 - HB3 LYS 86 lone 1 63 - 1 - HA PRO 73 - HB3 LYS 86 lone 1 47 - 1 - Peak 2467 from cnoeabs.peaks (1.65, 2.27, 32.38 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 50 + HG2 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2468 from cnoeabs.peaks (2.03, 2.27, 32.38 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 50 + HG2 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2469 from cnoeabs.peaks (2.27, 2.27, 32.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 50 + HG2 MET 50 OK 100 100 - 100 HB3 LYS 86 + HB3 LYS 86 OK 84 84 - 100 Peak 2470 from cnoeabs.peaks (2.38, 2.27, 32.38 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 50 + HG2 MET 50 OK 100 100 - 100 - 1.8=100 Peak 2471 from cnoeabs.peaks (2.03, 2.27, 32.38 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 50 + HG2 MET 50 OK 100 100 - 100 - 2.9=100 Reference assignment not found: QE MET 50 - HG2 MET 50 Peak 2472 from cnoeabs.peaks (8.88, 2.38, 32.38 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.95: * H MET 50 + HG3 MET 50 OK 95 100 - 95 - 5.0=46, 815/1.8=31...(15) H PHE 97 - HG3 MET 50 OK 32 96 - 33 - 2465/1.8=8, 2451/2.9=8...(6) Peak 2473 from cnoeabs.peaks (4.43, 2.38, 32.38 ppm; 3.38 A): 2 out of 5 assignments used, quality = 0.95: * HA MET 50 + HG3 MET 50 OK 93 100 - 93 - 3.8=72, 2448/1.8=24...(16) HA ASP 71 + HG3 MET 50 OK 23 95 - 25 - 2466/1.8=5, 3.0/926=5...(8) HA THR 59 - HG3 MET 50 lone 6 99 - 5 - 2466/1.8=1, 2480/3.3=1 HA PRO 74 - HG3 MET 50 lone 4 78 - 4 - HA PRO 73 - HG3 MET 50 lone 2 60 - 4 - Peak 2474 from cnoeabs.peaks (1.65, 2.38, 32.38 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 50 + HG3 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2475 from cnoeabs.peaks (2.03, 2.38, 32.38 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 50 + HG3 MET 50 OK 100 100 - 100 - 2.9=100 QE MET 50 + HG3 MET 50 OK 100 100 - 100 - 3.3=100 Peak 2476 from cnoeabs.peaks (2.27, 2.38, 32.38 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 50 + HG3 MET 50 OK 100 100 - 100 - 1.8=100 Peak 2477 from cnoeabs.peaks (2.38, 2.38, 32.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 50 + HG3 MET 50 OK 100 100 - 100 Peak 2478 from cnoeabs.peaks (2.03, 2.38, 32.38 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * QE MET 50 + HG3 MET 50 OK 100 100 - 100 - 3.3=100 HB3 MET 50 + HG3 MET 50 OK 100 100 - 100 - 2.9=100 Peak 2479 from cnoeabs.peaks (8.88, 2.03, 16.76 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.92: * H MET 50 + QE MET 50 OK 89 100 - 89 - 6.0=31, 815/3.3=24...(18) H PHE 97 + QE MET 50 OK 27 96 - 28 - 2472/3.3=7, 2465/3.3=7...(4) Peak 2480 from cnoeabs.peaks (4.43, 2.03, 16.76 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.93: * HA MET 50 + QE MET 50 OK 89 100 - 89 - 5.4=45, 2449/3.3=25...(17) HA ASP 71 + QE MET 50 OK 30 95 - 32 - 6263/5673=6, 2473/3.3=6...(11) HA THR 59 - QE MET 50 lone 7 99 - 7 - 2473/3.3=2, 2466/3.3=1 HA PRO 74 - QE MET 50 lone 5 78 - 7 - 5488/5694=1 HA PRO 73 - QE MET 50 lone 3 60 - 5 - Peak 2481 from cnoeabs.peaks (1.65, 2.03, 16.76 ppm; 3.05 A): 5 out of 11 assignments used, quality = 0.90: * HB2 MET 50 + QE MET 50 OK 67 100 - 67 - 4.1=42, 3.0/2480=11...(15) HD2 LYS 41 + QE MET 50 OK 36 73 - 50 - 3.0/5694=17, 3.0/5672=12...(11) HD3 LYS 41 + QE MET 50 OK 36 73 - 50 - 3.0/5694=17, 3.0/5672=12...(11) HG12 ILE 27 + QE MET 50 OK 14 99 - 14 - 3.2/4970=5, ~4985=3...(4) HG12 ILE 40 + QE MET 50 OK 10 97 - 11 - 3.2/5437=3, 2.1/5444=2, ~5667=2 HB3 LYS 61 - QE MET 50 lone 6 99 - 6 - 3.0/5672=2, 3.0/5672=2 QB ALA 79 - QE MET 50 lone 2 87 - 2 - HD3 LYS 94 - QE MET 50 lone 1 65 - 2 - HD2 LYS 94 - QE MET 50 lone 1 65 - 2 - HB VAL 18 - QE MET 50 lone 1 95 - 1 - HG3 GLN 19 - QE MET 50 lone 1 100 - 1 - Peak 2482 from cnoeabs.peaks (2.03, 2.03, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QE MET 50 + QE MET 50 OK 100 100 - 100 Reference assignment not found: HB3 MET 50 - QE MET 50 Peak 2483 from cnoeabs.peaks (2.27, 2.03, 16.76 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 50 + QE MET 50 OK 100 100 - 100 - 3.3=100 Peak 2484 from cnoeabs.peaks (2.38, 2.03, 16.76 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 50 + QE MET 50 OK 100 100 - 100 - 3.3=100 Peak 2485 from cnoeabs.peaks (2.03, 2.03, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 50 + QE MET 50 OK 100 100 - 100 Peak 2487 from cnoeabs.peaks (4.80, 4.80, 58.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 51 + HA ILE 51 OK 100 100 - 100 Peak 2488 from cnoeabs.peaks (1.46, 4.80, 58.94 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 51 + HA ILE 51 OK 100 100 - 100 - 3.0=100 HG13 ILE 51 + HA ILE 51 OK 73 73 - 100 - 4.0=100 Peak 2489 from cnoeabs.peaks (0.72, 4.80, 58.94 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 51 + HA ILE 51 OK 100 100 - 100 - 3.2=100 Peak 2490 from cnoeabs.peaks (1.02, 4.80, 58.94 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 51 + HA ILE 51 OK 100 100 - 100 - 4.0=100 Peak 2491 from cnoeabs.peaks (1.43, 4.80, 58.94 ppm; 5.57 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 51 + HA ILE 51 OK 100 100 - 100 - 4.0=100 HB ILE 51 + HA ILE 51 OK 73 73 - 100 - 3.0=100 Peak 2492 from cnoeabs.peaks (0.87, 4.80, 58.94 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 51 + HA ILE 51 OK 100 100 - 100 - 4.2=100 Peak 2493 from cnoeabs.peaks (7.71, 1.46, 42.12 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.94: * H ILE 51 + HB ILE 51 OK 94 100 - 94 - 3.8=71, 821/2.1=26...(20) Peak 2494 from cnoeabs.peaks (4.80, 1.46, 42.12 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 51 + HB ILE 51 OK 100 100 - 100 - 3.0=100 Peak 2495 from cnoeabs.peaks (1.46, 1.46, 42.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 51 + HB ILE 51 OK 100 100 - 100 Peak 2496 from cnoeabs.peaks (0.72, 1.46, 42.12 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 51 + HB ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2497 from cnoeabs.peaks (1.02, 1.46, 42.12 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 51 + HB ILE 51 OK 100 100 - 100 - 3.0=100 Peak 2498 from cnoeabs.peaks (1.43, 1.46, 42.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB ILE 51 + HB ILE 51 OK 73 73 - 100 Reference assignment not found: HG13 ILE 51 - HB ILE 51 Peak 2499 from cnoeabs.peaks (0.87, 1.46, 42.12 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 51 + HB ILE 51 OK 100 100 - 100 - 3.2=100 Peak 2500 from cnoeabs.peaks (7.71, 0.72, 16.24 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 51 + QG2 ILE 51 OK 100 100 - 100 - 4.0=100 Peak 2501 from cnoeabs.peaks (4.80, 0.72, 16.24 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 51 + QG2 ILE 51 OK 100 100 - 100 - 3.2=100 Peak 2502 from cnoeabs.peaks (1.46, 0.72, 16.24 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 51 + QG2 ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2503 from cnoeabs.peaks (0.72, 0.72, 16.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 51 + QG2 ILE 51 OK 100 100 - 100 Peak 2504 from cnoeabs.peaks (1.02, 0.72, 16.24 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 51 + QG2 ILE 51 OK 100 100 - 100 - 3.2=100 QD1 LEU 62 - QG2 ILE 51 OK 22 87 - 26 - 5962/5751=8, 232/4.1=4...(8) QG2 THR 55 - QG2 ILE 51 OK 13 95 - 13 - 2642/3.2=2, 232/4.1=2...(4) Peak 2505 from cnoeabs.peaks (1.43, 0.72, 16.24 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.73: HB ILE 51 + QG2 ILE 51 OK 73 73 - 100 - 2.1=100 Reference assignment not found: HG13 ILE 51 - QG2 ILE 51 Peak 2506 from cnoeabs.peaks (0.87, 0.72, 16.24 ppm; 2.60 A): 3 out of 7 assignments used, quality = 0.86: * QD1 ILE 51 + QG2 ILE 51 OK 78 100 - 78 - 3.2=52, 2.1/2504=16...(14) QG2 VAL 30 + QG2 ILE 51 OK 25 71 - 35 - 2.1/5043=6, 5051=5...(11) QG1 VAL 18 + QG2 ILE 51 OK 15 100 - 15 - 4717/4820=2, 4716/6123=1...(7) QG2 ILE 37 - QG2 ILE 51 lone 5 76 - 7 - QG2 ILE 39 - QG2 ILE 51 lone 5 93 - 5 - 3.8/5707=1 QG2 THR 42 - QG2 ILE 51 lone 4 100 - 4 - 824/4.0=1, 5492/2.1=1 QG2 ILE 80 - QG2 ILE 51 lone 2 63 - 4 - Peak 2507 from cnoeabs.peaks (7.71, 1.02, 27.65 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 51 + HG12 ILE 51 OK 99 100 - 99 - 5.2=72, 2493/3.0=43...(10) Peak 2508 from cnoeabs.peaks (4.80, 1.02, 27.65 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 51 + HG12 ILE 51 OK 100 100 - 100 - 4.0=97, 2522/2.1=26...(19) HA PHE 70 - HG12 ILE 51 OK 27 92 - 30 - 2522/2.1=7, 2515/1.8=6...(9) HA THR 55 - HG12 ILE 51 OK 19 100 - 19 - 2515/1.8=4, 2522/2.1=4...(7) Peak 2509 from cnoeabs.peaks (1.46, 1.02, 27.65 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 51 + HG12 ILE 51 OK 100 100 - 100 - 3.0=100 HG13 ILE 51 + HG12 ILE 51 OK 73 73 - 100 - 1.8=100 Peak 2510 from cnoeabs.peaks (0.72, 1.02, 27.65 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 51 + HG12 ILE 51 OK 100 100 - 100 - 3.2=100 Peak 2511 from cnoeabs.peaks (1.02, 1.02, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 51 + HG12 ILE 51 OK 100 100 - 100 Peak 2512 from cnoeabs.peaks (1.43, 1.02, 27.65 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 51 + HG12 ILE 51 OK 100 100 - 100 - 1.8=100 Peak 2513 from cnoeabs.peaks (0.87, 1.02, 27.65 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 51 + HG12 ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2514 from cnoeabs.peaks (7.71, 1.43, 27.65 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 51 + HG13 ILE 51 OK 96 100 - 96 - 5.2=53, 2493/3.0=38...(14) H ILE 51 - HD3 LYS 86 OK 11 92 - 12 - 4207/3.4=4, 4.6/6680=2...(4) Peak 2515 from cnoeabs.peaks (4.80, 1.43, 27.65 ppm; 3.92 A): 1 out of 6 assignments used, quality = 0.99: * HA ILE 51 + HG13 ILE 51 OK 99 100 - 99 - 4.0=91, 2522/2.1=25...(20) HA PHE 70 - HG13 ILE 51 OK 24 92 - 26 - 2522/2.1=7, 2508/1.8=7...(8) HA THR 55 - HG13 ILE 51 OK 16 100 - 16 - 2508/1.8=5, 2522/2.1=4...(5) HA ILE 51 - HD3 LYS 86 lone 9 92 - 9 - 3.0/2514=3, ~4207=2, ~225=1 HA THR 55 - HD3 LYS 86 lone 4 90 - 4 - 3.6/5886=1 HA PHE 70 - HD3 LYS 86 lone 2 80 - 3 - Peak 2516 from cnoeabs.peaks (1.46, 1.43, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HG13 ILE 51 + HG13 ILE 51 OK 73 73 - 100 Reference assignment not found: HB ILE 51 - HG13 ILE 51 Peak 2517 from cnoeabs.peaks (0.72, 1.43, 27.65 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 51 + HG13 ILE 51 OK 100 100 - 100 - 3.2=100 Peak 2518 from cnoeabs.peaks (1.02, 1.43, 27.65 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 51 + HG13 ILE 51 OK 100 100 - 100 - 1.8=100 Peak 2519 from cnoeabs.peaks (1.43, 1.43, 27.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 51 + HG13 ILE 51 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 84 84 - 100 Peak 2520 from cnoeabs.peaks (0.87, 1.43, 27.65 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 51 + HG13 ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2521 from cnoeabs.peaks (7.71, 0.87, 14.06 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.97: * H ILE 51 + QD1 ILE 51 OK 97 100 - 97 - 4.9=60, 2493/3.2=35...(16) Peak 2522 from cnoeabs.peaks (4.80, 0.87, 14.06 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.98: * HA ILE 51 + QD1 ILE 51 OK 98 100 - 98 - 4.2=77, 3.2/2524=30...(17) HA PHE 70 - QD1 ILE 51 OK 27 92 - 30 - 2508/2.1=6, 2515/2.1=5...(12) HA THR 55 - QD1 ILE 51 OK 14 100 - 13 - 2508/2.1=4, 2515/2.1=4...(5) Peak 2523 from cnoeabs.peaks (1.46, 0.87, 14.06 ppm; 2.51 A): 1 out of 1 assignment used, quality = 0.73: HG13 ILE 51 + QD1 ILE 51 OK 73 73 - 100 - 2.1=100 Reference assignment not found: HB ILE 51 - QD1 ILE 51 Peak 2524 from cnoeabs.peaks (0.72, 0.87, 14.06 ppm; 2.64 A): 2 out of 2 assignments used, quality = 0.83: * QG2 ILE 51 + QD1 ILE 51 OK 79 100 - 80 - 3.2=55, 2504/2.1=16...(14) QG2 ILE 93 + QD1 ILE 51 OK 18 100 - 18 - 3.1/6852=4, 2.1/6844=3...(4) Peak 2525 from cnoeabs.peaks (1.02, 0.87, 14.06 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 51 + QD1 ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2526 from cnoeabs.peaks (1.43, 0.87, 14.06 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 51 + QD1 ILE 51 OK 100 100 - 100 - 2.1=100 Peak 2527 from cnoeabs.peaks (0.87, 0.87, 14.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 51 + QD1 ILE 51 OK 100 100 - 100 Peak 2528 from cnoeabs.peaks (8.37, 4.93, 51.21 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 52 + HA ASN 52 OK 100 100 - 100 - 2.9=100 Peak 2529 from cnoeabs.peaks (4.93, 4.93, 51.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 52 + HA ASN 52 OK 100 100 - 100 Peak 2530 from cnoeabs.peaks (2.59, 4.93, 51.21 ppm; 3.01 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 52 + HA ASN 52 OK 99 100 - 99 - 3.0=99, 4.3/4216=14...(7) HB3 ASN 52 + HA ASN 52 OK 99 100 - 99 - 3.0=99, 4.3/4216=14...(7) HB2 ASP 71 - HA ASN 52 lone 4 100 - 3 - 827/2.9=1 HB3 ASP 32 - HA ASN 52 lone 1 57 - 1 - Peak 2531 from cnoeabs.peaks (2.60, 4.93, 51.21 ppm; 3.01 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ASN 52 + HA ASN 52 OK 99 100 - 99 - 3.0=99, 4.3/4216=14...(7) HB2 ASN 52 + HA ASN 52 OK 99 100 - 99 - 3.0=99, 4.3/4216=14...(7) HB2 ASP 71 - HA ASN 52 lone 3 99 - 3 - 827/2.9=1 HB3 ASP 32 - HA ASN 52 lone 1 65 - 1 - HB3 ASP 12 - HA ASN 52 lone 0 60 - 1 - Peak 2534 from cnoeabs.peaks (8.37, 2.59, 40.23 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.97: * H ASN 52 + HB2 ASN 52 OK 82 100 - 82 - 4.0=55, 827/1.8=18...(11) H ASN 52 + HB3 ASN 52 OK 82 100 - 82 - 4.0=55, 827/1.8=18...(11) H LYS 94 - HB2 ASN 52 lone 7 97 - 7 - 235/4.3=2, 4.4/5773=1, 515/3.5=1 H LYS 94 - HB3 ASN 52 lone 7 96 - 7 - 235/4.3=2, 4.4/5773=1, 515/3.5=1 H LYS 35 - HB3 ASN 52 lone 4 82 - 4 - 235/4.3=2, 515/3.5=1 H LYS 35 - HB2 ASN 52 lone 4 83 - 4 - 235/4.3=2, 515/3.5=1 H ASN 24 - HB2 ASN 52 lone 2 71 - 3 - H ASN 24 - HB3 ASN 52 lone 2 70 - 3 - H ASN 14 - HB2 ASN 52 lone 1 71 - 1 - H ASN 14 - HB3 ASN 52 lone 1 70 - 1 - Peak 2535 from cnoeabs.peaks (4.93, 2.59, 40.23 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.0=100 HA ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.0=100 Peak 2536 from cnoeabs.peaks (2.59, 2.59, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 52 + HB2 ASN 52 OK 100 100 - 100 HB3 ASN 52 + HB3 ASN 52 OK 100 100 - 100 Peak 2537 from cnoeabs.peaks (2.60, 2.59, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 52 + HB2 ASN 52 OK 100 100 - 100 HB3 ASN 52 + HB3 ASN 52 OK 100 100 - 100 Reference assignment not found: HB3 ASN 52 - HB2 ASN 52 Peak 2538 from cnoeabs.peaks (6.99, 2.59, 40.23 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.5=100 HD21 ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 2539 from cnoeabs.peaks (6.63, 2.59, 40.23 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.5=100 HD22 ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 2540 from cnoeabs.peaks (8.37, 2.60, 40.23 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.97: * H ASN 52 + HB3 ASN 52 OK 82 100 - 82 - 4.0=55, 827/1.8=18...(11) H ASN 52 + HB2 ASN 52 OK 82 100 - 82 - 4.0=55, 827/1.8=18...(11) H LYS 94 - HB3 ASN 52 lone 7 97 - 7 - 235/4.3=2, 4.4/5773=1, 515/3.5=1 H LYS 94 - HB2 ASN 52 lone 7 96 - 7 - 235/4.3=2, 4.4/5773=1, 515/3.5=1 H LYS 35 - HB3 ASN 52 lone 4 83 - 5 - 235/4.3=2, 515/3.5=1 H LYS 35 - HB2 ASN 52 lone 4 82 - 4 - 235/4.3=2, 515/3.5=1 H ASN 24 - HB3 ASN 52 lone 2 71 - 3 - H ASN 24 - HB2 ASN 52 lone 2 70 - 3 - H ASN 14 - HB3 ASN 52 lone 1 71 - 1 - H ASN 14 - HB2 ASN 52 lone 1 70 - 1 - Peak 2541 from cnoeabs.peaks (4.93, 2.60, 40.23 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.0=100 HA ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.0=100 Peak 2542 from cnoeabs.peaks (2.59, 2.60, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 52 + HB3 ASN 52 OK 100 100 - 100 HB2 ASN 52 + HB2 ASN 52 OK 100 100 - 100 Reference assignment not found: HB2 ASN 52 - HB3 ASN 52 Peak 2543 from cnoeabs.peaks (2.60, 2.60, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 52 + HB3 ASN 52 OK 100 100 - 100 HB2 ASN 52 + HB2 ASN 52 OK 100 100 - 100 Peak 2544 from cnoeabs.peaks (6.99, 2.60, 40.23 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.5=100 HD21 ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 2545 from cnoeabs.peaks (6.63, 2.60, 40.23 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 52 + HB3 ASN 52 OK 100 100 - 100 - 3.5=100 HD22 ASN 52 + HB2 ASN 52 OK 100 100 - 100 - 3.5=100 Peak 2546 from cnoeabs.peaks (8.58, 4.70, 52.77 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2547 from cnoeabs.peaks (4.70, 4.70, 52.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HA LEU 53 OK 100 100 - 100 Peak 2548 from cnoeabs.peaks (1.72, 4.70, 52.77 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2549 from cnoeabs.peaks (1.39, 4.70, 52.77 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2550 from cnoeabs.peaks (1.50, 4.70, 52.77 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HA LEU 53 OK 100 100 - 100 - 4.3=100 Peak 2551 from cnoeabs.peaks (0.61, 4.70, 52.77 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.92: * QD2 LEU 53 + HA LEU 53 OK 92 100 - 92 - 4.0=57, 836/3.0=21...(23) Peak 2552 from cnoeabs.peaks (0.77, 4.70, 52.77 ppm; 5.76 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 - 100 - 4.0=100 Peak 2553 from cnoeabs.peaks (8.58, 1.72, 42.05 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.95: * H LEU 53 + HB2 LEU 53 OK 95 100 - 95 - 4.0=75, 834/1.8=34...(11) H GLU 58 - HB2 LEU 53 OK 12 76 - 15 - 2560/1.8=4, 2567/3.0=3...(4) Peak 2554 from cnoeabs.peaks (4.70, 1.72, 42.05 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2555 from cnoeabs.peaks (1.72, 1.72, 42.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 Peak 2556 from cnoeabs.peaks (1.39, 1.72, 42.05 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 1.8=100 Peak 2557 from cnoeabs.peaks (1.50, 1.72, 42.05 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2558 from cnoeabs.peaks (0.61, 1.72, 42.05 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2559 from cnoeabs.peaks (0.77, 1.72, 42.05 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2560 from cnoeabs.peaks (8.58, 1.39, 42.05 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 53 + HB3 LEU 53 OK 99 100 - 99 - 4.0=96, 833/1.8=39...(11) H GLU 58 - HB3 LEU 53 OK 14 76 - 18 - 2553/1.8=5, 2574/3.1=4...(4) Peak 2561 from cnoeabs.peaks (4.70, 1.39, 42.05 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2562 from cnoeabs.peaks (1.72, 1.39, 42.05 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 1.8=100 Peak 2563 from cnoeabs.peaks (1.39, 1.39, 42.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HB3 LEU 53 OK 100 100 - 100 Peak 2564 from cnoeabs.peaks (1.50, 1.39, 42.05 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2565 from cnoeabs.peaks (0.61, 1.39, 42.05 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2566 from cnoeabs.peaks (0.77, 1.39, 42.05 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2567 from cnoeabs.peaks (8.58, 1.50, 26.43 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.95: * H LEU 53 + HG LEU 53 OK 95 100 - 95 - 5.0=51, 836/2.1=36...(13) H GLU 58 - HG LEU 53 OK 15 76 - 19 - 2574/2.1=5, 2581/2.1=5...(4) Peak 2568 from cnoeabs.peaks (4.70, 1.50, 26.43 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 - 100 - 4.3=97, 2551/2.1=45...(13) HA THR 26 + HG LEU 53 OK 51 89 - 58 - ~5784=15, ~5787=15...(10) HB THR 26 - HG LEU 53 OK 38 89 - 43 - ~5811=12, 2582/2.1=9...(7) HA SER 96 - HG LEU 53 OK 12 100 - 11 - ~5792=4, 2575/2.1=3, 2582/2.1=2 HA GLU 87 - HG LEU 53 lone 7 100 - 7 - 2575/2.1=2, 2582/2.1=1 Peak 2569 from cnoeabs.peaks (1.72, 1.50, 26.43 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HG LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2570 from cnoeabs.peaks (1.39, 1.50, 26.43 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 - 100 - 3.0=100 Peak 2571 from cnoeabs.peaks (1.50, 1.50, 26.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HG LEU 53 OK 100 100 - 100 Peak 2572 from cnoeabs.peaks (0.61, 1.50, 26.43 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + HG LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2573 from cnoeabs.peaks (0.77, 1.50, 26.43 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + HG LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2574 from cnoeabs.peaks (8.58, 0.61, 23.44 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 53 + QD2 LEU 53 OK 99 100 - 99 - 4.6=77, 3.0/2551=39...(17) H GLU 58 - QD2 LEU 53 OK 17 76 - 22 - 2567/2.1=5, 2581/2.1=5...(5) Peak 2575 from cnoeabs.peaks (4.70, 0.61, 23.44 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.97: * HA LEU 53 + QD2 LEU 53 OK 90 100 - 90 - 4.0=54, 3.0/836=20...(23) HA THR 26 + QD2 LEU 53 OK 47 89 - 53 - 3.6/5793=12, 3.0/5784=11...(14) HB THR 26 + QD2 LEU 53 OK 38 89 - 44 - 4.4/5793=10, 4.0/5784=10...(12) HA SER 96 - QD2 LEU 53 OK 15 100 - 15 - 3.0/5792=3, 2582/2.1=2...(6) HA GLU 87 - QD2 LEU 53 lone 7 100 - 7 - 2582/2.1=1 Peak 2576 from cnoeabs.peaks (1.72, 0.61, 23.44 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2577 from cnoeabs.peaks (1.39, 0.61, 23.44 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2578 from cnoeabs.peaks (1.50, 0.61, 23.44 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2579 from cnoeabs.peaks (0.61, 0.61, 23.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 Peak 2580 from cnoeabs.peaks (0.77, 0.61, 23.44 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2581 from cnoeabs.peaks (8.58, 0.77, 25.50 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 53 + QD1 LEU 53 OK 99 100 - 99 - 4.6=88, 836/2.1=42...(14) H GLU 58 - QD1 LEU 53 OK 17 76 - 22 - 2574/2.1=6, 2567/2.1=6...(4) Peak 2582 from cnoeabs.peaks (4.70, 0.77, 25.50 ppm; 3.50 A): 3 out of 5 assignments used, quality = 0.99: * HA LEU 53 + QD1 LEU 53 OK 94 100 - 94 - 4.0=66, 2551/2.1=36...(18) HA THR 26 + QD1 LEU 53 OK 56 89 - 63 - 3.6/5791=21, 3.0/5787=13...(13) HB THR 26 + QD1 LEU 53 OK 47 89 - 53 - 4.4/5791=16, 2.1/5811=13...(10) HA SER 96 - QD1 LEU 53 OK 11 100 - 11 - 2575/2.1=3, ~5792=2, 2568/2.1=1 HA GLU 87 - QD1 LEU 53 lone 7 100 - 7 - 2575/2.1=1 Peak 2583 from cnoeabs.peaks (1.72, 0.77, 25.50 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2584 from cnoeabs.peaks (1.39, 0.77, 25.50 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 3.1=100 Peak 2585 from cnoeabs.peaks (1.50, 0.77, 25.50 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2586 from cnoeabs.peaks (0.61, 0.77, 25.50 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 2.1=100 Peak 2587 from cnoeabs.peaks (0.77, 0.77, 25.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + QD1 LEU 53 OK 100 100 - 100 Peak 2588 from cnoeabs.peaks (7.64, 4.77, 57.20 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + HA TYR 54 OK 100 100 - 100 - 2.9=100 Peak 2589 from cnoeabs.peaks (4.77, 4.77, 57.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 54 + HA TYR 54 OK 100 100 - 100 Peak 2590 from cnoeabs.peaks (2.83, 4.77, 57.20 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 54 + HA TYR 54 OK 100 100 - 100 - 3.0=100 Peak 2591 from cnoeabs.peaks (3.16, 4.77, 57.20 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 54 + HA TYR 54 OK 100 100 - 100 - 3.0=100 Peak 2595 from cnoeabs.peaks (7.18, 4.77, 57.20 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 54 + HA TYR 54 OK 100 100 - 100 - 3.7=100 Peak 2596 from cnoeabs.peaks (7.64, 2.83, 38.98 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + HB2 TYR 54 OK 100 100 - 100 - 4.1=100 Peak 2597 from cnoeabs.peaks (4.77, 2.83, 38.98 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 54 + HB2 TYR 54 OK 100 100 - 100 - 3.0=100 Peak 2598 from cnoeabs.peaks (2.83, 2.83, 38.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 54 + HB2 TYR 54 OK 100 100 - 100 Peak 2599 from cnoeabs.peaks (3.16, 2.83, 38.98 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 54 + HB2 TYR 54 OK 100 100 - 100 - 1.8=100 Peak 2603 from cnoeabs.peaks (7.18, 2.83, 38.98 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 54 + HB2 TYR 54 OK 100 100 - 100 - 2.5=100 Peak 2604 from cnoeabs.peaks (7.64, 3.16, 38.98 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + HB3 TYR 54 OK 100 100 - 100 - 4.1=100 Peak 2605 from cnoeabs.peaks (4.77, 3.16, 38.98 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 54 + HB3 TYR 54 OK 100 100 - 100 - 3.0=100 Peak 2606 from cnoeabs.peaks (2.83, 3.16, 38.98 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 54 + HB3 TYR 54 OK 100 100 - 100 - 1.8=100 Peak 2607 from cnoeabs.peaks (3.16, 3.16, 38.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 54 + HB3 TYR 54 OK 100 100 - 100 Peak 2610 from cnoeabs.peaks (6.85, 3.16, 38.98 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 54 + HB3 TYR 54 OK 100 100 - 100 - 4.4=100 Peak 2611 from cnoeabs.peaks (7.18, 3.16, 38.98 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 54 + HB3 TYR 54 OK 100 100 - 100 - 2.5=100 Peak 2620 from cnoeabs.peaks (7.64, 6.85, 117.91 ppm; 5.32 A): 1 out of 5 assignments used, quality = 0.84: * H TYR 54 + QE TYR 54 OK 84 88 - 95 - 6.5=54, 845/2.2=45...(11) HD22 ASN 24 - QE TYR 54 poor 9 81 - 10 - 5.7/1076=3, 4.4/4083=3 H GLN 48 - QE TYR 54 poor 8 78 - 10 - 4693/2.2=2, ~4697=2, 6070/5851=1 HD21 ASN 43 - QE TYR 54 lone 5 85 - 6 - 4693/2.2=1 HE22 GLN 36 - QE TYR 54 lone 3 79 - 4 - Peak 2622 from cnoeabs.peaks (2.83, 6.85, 117.91 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.88: * HB2 TYR 54 + QE TYR 54 OK 88 88 - 100 - 4.4=100 Peak 2623 from cnoeabs.peaks (3.16, 6.85, 117.91 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.88: * HB3 TYR 54 + QE TYR 54 OK 88 88 - 100 - 4.4=100 Peak 2626 from cnoeabs.peaks (6.85, 6.85, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * QE TYR 54 + QE TYR 54 OK 88 88 - 100 Peak 2627 from cnoeabs.peaks (7.18, 6.85, 117.91 ppm; 2.44 A): 1 out of 1 assignment used, quality = 0.88: * QD TYR 54 + QE TYR 54 OK 88 88 - 100 - 2.2=100 Peak 2628 from cnoeabs.peaks (7.64, 7.18, 132.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.96: * H TYR 54 + QD TYR 54 OK 96 96 - 100 - 4.6=100 Peak 2629 from cnoeabs.peaks (4.77, 7.18, 132.31 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.96: * HA TYR 54 + QD TYR 54 OK 96 96 - 100 - 3.7=100 Peak 2630 from cnoeabs.peaks (2.83, 7.18, 132.31 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.96: * HB2 TYR 54 + QD TYR 54 OK 96 96 - 100 - 2.5=100 Peak 2631 from cnoeabs.peaks (3.16, 7.18, 132.31 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.96: * HB3 TYR 54 + QD TYR 54 OK 96 96 - 100 - 2.5=100 Peak 2634 from cnoeabs.peaks (6.85, 7.18, 132.31 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.96: * QE TYR 54 + QD TYR 54 OK 96 96 - 100 - 2.2=100 Peak 2635 from cnoeabs.peaks (7.18, 7.18, 132.31 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: * QD TYR 54 + QD TYR 54 OK 95 95 - 100 Peak 2636 from cnoeabs.peaks (4.80, 4.80, 60.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 55 + HA THR 55 OK 100 100 - 100 Peak 2637 from cnoeabs.peaks (3.83, 4.80, 60.40 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 55 + HA THR 55 OK 100 100 - 100 - 3.0=100 Peak 2638 from cnoeabs.peaks (1.03, 4.80, 60.40 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 55 + HA THR 55 OK 100 100 - 100 - 3.2=100 Peak 2639 from cnoeabs.peaks (4.80, 3.83, 71.24 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 55 + HB THR 55 OK 100 100 - 100 - 3.0=100 Peak 2640 from cnoeabs.peaks (3.83, 3.83, 71.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 55 + HB THR 55 OK 100 100 - 100 Peak 2641 from cnoeabs.peaks (1.03, 3.83, 71.24 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 55 + HB THR 55 OK 100 100 - 100 - 2.1=100 Peak 2642 from cnoeabs.peaks (4.80, 1.03, 21.69 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.88: * HA THR 55 + QG2 THR 55 OK 87 100 - 87 - 3.2=84, 3.6/250=13...(6) HA ILE 51 + QG2 THR 55 OK 11 100 - 11 - 3.2/2504=2, 7053/5977=2...(5) HA PHE 70 - QG2 THR 55 lone 5 83 - 6 - 3.0/4227=2 HA TYR 54 - QG2 THR 55 lone 0 65 - 1 - Peak 2643 from cnoeabs.peaks (3.83, 1.03, 21.69 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 55 + QG2 THR 55 OK 100 100 - 100 - 2.1=100 Peak 2644 from cnoeabs.peaks (1.03, 1.03, 21.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 55 + QG2 THR 55 OK 100 100 - 100 Peak 2645 from cnoeabs.peaks (8.94, 4.62, 53.70 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 56 + HA ASP 56 OK 100 100 - 100 - 3.0=100 Peak 2646 from cnoeabs.peaks (4.62, 4.62, 53.70 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ASP 56 + HA ASP 56 OK 100 100 - 100 HA ASP 12 + HA ASP 12 OK 62 62 - 100 HA ASN 13 + HA ASN 13 OK 61 61 - 100 Peak 2647 from cnoeabs.peaks (3.07, 4.62, 53.70 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 56 + HA ASP 56 OK 100 100 - 100 - 3.0=100 Peak 2648 from cnoeabs.peaks (2.44, 4.62, 53.70 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 56 + HA ASP 56 OK 100 100 - 100 - 3.0=100 Peak 2649 from cnoeabs.peaks (8.94, 3.07, 42.63 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.84: * H ASP 56 + HB2 ASP 56 OK 84 100 - 84 - 4.0=72, 849/1.8=34...(5) H ALA 66 - HB2 ASP 56 lone 5 78 - 6 - 848=2, 2653/1.8=2, 4.6/5874=1 H VAL 18 - HB2 ASP 56 lone 3 99 - 3 - 2653/1.8=1 H PHE 70 - HB2 ASP 56 lone 3 83 - 4 - H SER 96 - HB2 ASP 56 lone 2 93 - 2 - Peak 2650 from cnoeabs.peaks (4.62, 3.07, 42.63 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 56 + HB2 ASP 56 OK 100 100 - 100 - 3.0=100 Peak 2651 from cnoeabs.peaks (3.07, 3.07, 42.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 56 + HB2 ASP 56 OK 100 100 - 100 Peak 2652 from cnoeabs.peaks (2.44, 3.07, 42.63 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 56 + HB2 ASP 56 OK 100 100 - 100 - 1.8=100 Peak 2653 from cnoeabs.peaks (8.94, 2.44, 42.63 ppm; 3.49 A): 1 out of 10 assignments used, quality = 0.79: * H ASP 56 + HB3 ASP 56 OK 79 100 - 80 - 4.0=67, 848/1.8=33...(4) H ASP 56 - HE2 LYS 86 poor 9 80 - 11 - 849=5, 5928/5932=1, 5873/5942=1 H ALA 66 - HB3 ASP 56 lone 4 78 - 5 - 849=2, 2649/1.8=2 H VAL 18 - HB3 ASP 56 lone 3 99 - 3 - 2649/1.8=1 H PHE 70 - HB3 ASP 56 lone 2 83 - 3 - 2649/1.8=1 H VAL 18 - HE2 LYS 86 lone 2 78 - 3 - 4710/3.9=1 H SER 96 - HB3 ASP 56 lone 2 93 - 2 - H PHE 70 - HE2 LYS 86 lone 1 59 - 2 - H ALA 66 - HE2 LYS 86 lone 1 55 - 2 - H SER 96 - HE2 LYS 86 lone 1 69 - 1 - Peak 2654 from cnoeabs.peaks (4.62, 2.44, 42.63 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 56 + HB3 ASP 56 OK 100 100 - 100 - 3.0=100 Peak 2655 from cnoeabs.peaks (3.07, 2.44, 42.63 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 56 + HB3 ASP 56 OK 100 100 - 100 - 1.8=100 Peak 2656 from cnoeabs.peaks (2.44, 2.44, 42.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 56 + HB3 ASP 56 OK 100 100 - 100 HE2 LYS 86 + HE2 LYS 86 OK 79 79 - 100 Peak 2657 from cnoeabs.peaks (4.02, 4.02, 58.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 57 + HA ARG 57 OK 100 100 - 100 Peak 2658 from cnoeabs.peaks (1.89, 4.02, 58.19 ppm; 2.72 A): 2 out of 8 assignments used, quality = 0.98: HB3 ARG 57 + HA ARG 57 OK 84 100 - 84 - 3.0=76, 3.0/2660=8...(14) * HB2 ARG 57 + HA ARG 57 OK 84 100 - 84 - 3.0=76, 3.0/2660=8...(14) HB2 LYS 63 - HA ARG 57 lone 3 95 - 3 - 3.0/5889=1 HB2 LEU 62 - HA ARG 57 lone 3 100 - 2 - 3.1/5888=1 HD3 LYS 77 - HA ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HA ARG 57 lone 1 97 - 1 - HB2 PRO 92 - HA ARG 57 lone 0 65 - 1 - HB ILE 27 - HA ARG 57 lone 0 63 - 1 - Peak 2659 from cnoeabs.peaks (1.89, 4.02, 58.19 ppm; 2.72 A): 2 out of 8 assignments used, quality = 0.98: * HB3 ARG 57 + HA ARG 57 OK 84 100 - 84 - 3.0=76, 3.0/2660=8...(14) HB2 ARG 57 + HA ARG 57 OK 84 100 - 84 - 3.0=76, 3.0/2660=8...(14) HB2 LYS 63 - HA ARG 57 lone 3 95 - 3 - 3.0/5889=1 HB2 LEU 62 - HA ARG 57 lone 3 100 - 2 - 3.1/5888=1 HD3 LYS 77 - HA ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HA ARG 57 lone 1 97 - 1 - HB2 PRO 92 - HA ARG 57 lone 0 65 - 1 - HB ILE 27 - HA ARG 57 lone 0 63 - 1 - Peak 2660 from cnoeabs.peaks (1.68, 4.02, 58.19 ppm; 3.16 A): 2 out of 18 assignments used, quality = 0.98: * HG2 ARG 57 + HA ARG 57 OK 85 100 - 85 - 3.9=55, 3.0/2658=14...(23) HG3 ARG 57 + HA ARG 57 OK 85 100 - 85 - 3.9=55, 3.0/2658=14...(23) QB ALA 79 - HA ARG 57 poor 10 93 - 10 - 2.1/5889=3, 2.9/1188=2 HD2 LYS 61 - HA ARG 57 lone 3 100 - 3 - HD3 LYS 61 - HA ARG 57 lone 3 100 - 3 - HD3 LYS 63 - HA ARG 57 lone 3 100 - 3 - HB3 LYS 61 - HA ARG 57 lone 2 73 - 3 - 3.6/6762=1 HD2 LYS 77 - HA ARG 57 lone 2 83 - 2 - HD2 LYS 94 - HA ARG 57 lone 2 100 - 1 - HD3 LYS 94 - HA ARG 57 lone 2 100 - 1 - HD2 LYS 44 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 45 - HA ARG 57 lone 1 85 - 1 - HD2 LYS 45 - HA ARG 57 lone 1 81 - 1 - HB ILE 40 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 35 - HA ARG 57 lone 1 100 - 1 - HG12 ILE 39 - HA ARG 57 lone 1 97 - 1 - HG12 ILE 27 - HA ARG 57 lone 1 73 - 1 - Peak 2661 from cnoeabs.peaks (1.68, 4.02, 58.19 ppm; 3.16 A): 2 out of 18 assignments used, quality = 0.98: * HG3 ARG 57 + HA ARG 57 OK 85 100 - 85 - 3.9=55, 3.0/2658=14...(23) HG2 ARG 57 + HA ARG 57 OK 85 100 - 85 - 3.9=55, 3.0/2658=14...(23) QB ALA 79 - HA ARG 57 poor 10 96 - 10 - 2.1/5889=3, 2.9/1188=2 HD3 LYS 61 - HA ARG 57 lone 3 100 - 3 - HD2 LYS 61 - HA ARG 57 lone 3 100 - 3 - HD3 LYS 63 - HA ARG 57 lone 3 100 - 3 - HB3 LYS 61 - HA ARG 57 lone 2 78 - 3 - 3.6/6762=1 HD2 LYS 77 - HA ARG 57 lone 2 78 - 2 - HD2 LYS 94 - HA ARG 57 lone 2 100 - 1 - HD3 LYS 94 - HA ARG 57 lone 2 100 - 1 - HD2 LYS 44 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 45 - HA ARG 57 lone 1 81 - 1 - HD2 LYS 45 - HA ARG 57 lone 1 76 - 1 - HB ILE 40 - HA ARG 57 lone 1 100 - 1 - HD3 LYS 35 - HA ARG 57 lone 1 100 - 1 - HG12 ILE 39 - HA ARG 57 lone 1 96 - 1 - HG12 ILE 27 - HA ARG 57 lone 1 78 - 1 - Peak 2662 from cnoeabs.peaks (3.21, 4.02, 58.19 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.98: * HD2 ARG 57 + HA ARG 57 OK 87 100 - 87 - 5.5=38, 1.8/2699=17...(22) HD3 ARG 57 + HA ARG 57 OK 87 100 - 87 - 5.5=38, 1.8/2692=17...(22) HB2 PHE 97 - HA ARG 57 lone 1 92 - 2 - HB2 ASP 84 - HA ARG 57 lone 1 89 - 1 - Peak 2663 from cnoeabs.peaks (3.21, 4.02, 58.19 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.98: * HD3 ARG 57 + HA ARG 57 OK 87 100 - 87 - 5.5=38, 1.8/2692=17...(22) HD2 ARG 57 + HA ARG 57 OK 87 100 - 87 - 5.5=38, 1.8/2699=17...(22) HB2 PHE 97 - HA ARG 57 lone 2 95 - 2 - HB2 ASP 84 - HA ARG 57 lone 1 92 - 1 - Peak 2664 from cnoeabs.peaks (4.02, 1.89, 29.89 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.0=100 * HA ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.0=100 Peak 2665 from cnoeabs.peaks (1.89, 1.89, 29.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 * HB2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 Peak 2666 from cnoeabs.peaks (1.89, 1.89, 29.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 HB2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 Reference assignment not found: HB3 ARG 57 - HB2 ARG 57 Peak 2667 from cnoeabs.peaks (1.68, 1.89, 29.89 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: * HG2 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) HG2 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) HG3 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2679=7...(37) HG3 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2680=7...(37) QB ALA 79 - HB3 ARG 57 lone 4 93 - 4 - QB ALA 79 - HB2 ARG 57 lone 4 93 - 4 - HD3 LYS 63 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 77 - HB3 ARG 57 lone 1 83 - 1 - HD2 LYS 77 - HB2 ARG 57 lone 1 83 - 1 - HD2 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HB3 LYS 61 - HB2 ARG 57 lone 1 73 - 1 - HB3 LYS 61 - HB3 ARG 57 lone 1 73 - 1 - HD3 LYS 45 - HB3 ARG 57 lone 1 85 - 1 - HD3 LYS 45 - HB2 ARG 57 lone 1 85 - 1 - HD2 LYS 45 - HB3 ARG 57 lone 1 81 - 1 - HD2 LYS 45 - HB2 ARG 57 lone 1 81 - 1 - HB ILE 40 - HB3 ARG 57 lone 1 100 - 1 - HB ILE 40 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 35 - HB3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HB2 ARG 57 lone 0 100 - 0 - HG12 ILE 27 - HB3 ARG 57 lone 0 73 - 1 - HG12 ILE 27 - HB2 ARG 57 lone 0 73 - 1 - HG12 ILE 39 - HB2 ARG 57 lone 0 97 - 0 - HG12 ILE 39 - HB3 ARG 57 lone 0 97 - 0 - Peak 2668 from cnoeabs.peaks (1.68, 1.89, 29.89 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: * HG3 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 2687/1.8=7...(37) HG3 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 2686/1.8=7...(37) HG2 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) HG2 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) QB ALA 79 - HB3 ARG 57 lone 4 96 - 4 - QB ALA 79 - HB2 ARG 57 lone 4 96 - 4 - HD3 LYS 63 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 77 - HB2 ARG 57 lone 1 78 - 1 - HD2 LYS 77 - HB3 ARG 57 lone 1 78 - 1 - HD2 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HB3 LYS 61 - HB2 ARG 57 lone 1 78 - 1 - HB3 LYS 61 - HB3 ARG 57 lone 1 78 - 1 - HD3 LYS 45 - HB2 ARG 57 lone 1 81 - 1 - HD3 LYS 45 - HB3 ARG 57 lone 1 81 - 1 - HB ILE 40 - HB2 ARG 57 lone 1 100 - 1 - HB ILE 40 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 45 - HB2 ARG 57 lone 1 76 - 1 - HD2 LYS 45 - HB3 ARG 57 lone 1 76 - 1 - HD3 LYS 35 - HB3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HB2 ARG 57 lone 0 100 - 0 - HG12 ILE 27 - HB3 ARG 57 lone 0 78 - 1 - HG12 ILE 27 - HB2 ARG 57 lone 0 78 - 1 - HG12 ILE 39 - HB2 ARG 57 lone 0 96 - 0 - HG12 ILE 39 - HB3 ARG 57 lone 0 96 - 0 - Peak 2669 from cnoeabs.peaks (3.21, 1.89, 29.89 ppm; 3.43 A): 4 out of 8 assignments used, quality = 1.00: HD2 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) * HD2 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD3 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD3 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HB2 PHE 97 - HB2 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HB3 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HB2 ARG 57 lone 1 89 - 1 - HB2 ASP 84 - HB3 ARG 57 lone 1 89 - 1 - Peak 2670 from cnoeabs.peaks (3.21, 1.89, 29.89 ppm; 3.43 A): 4 out of 8 assignments used, quality = 1.00: * HD3 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2663/3.0=11...(34) HD3 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2663/3.0=11...(34) HD2 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD2 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HB2 PHE 97 - HB2 ARG 57 lone 1 95 - 1 - HB2 PHE 97 - HB3 ARG 57 lone 1 95 - 1 - HB2 ASP 84 - HB2 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HB3 ARG 57 lone 1 92 - 1 - Peak 2671 from cnoeabs.peaks (4.02, 1.89, 29.89 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 57 + HB3 ARG 57 OK 100 100 - 100 - 3.0=100 HA ARG 57 + HB2 ARG 57 OK 100 100 - 100 - 3.0=100 Peak 2672 from cnoeabs.peaks (1.89, 1.89, 29.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 HB2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 Reference assignment not found: HB2 ARG 57 - HB3 ARG 57 Peak 2673 from cnoeabs.peaks (1.89, 1.89, 29.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 57 + HB3 ARG 57 OK 100 100 - 100 HB2 ARG 57 + HB2 ARG 57 OK 100 100 - 100 Peak 2674 from cnoeabs.peaks (1.68, 1.89, 29.89 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: HG2 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) * HG2 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) HG3 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2679=7...(37) HG3 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2680=7...(37) QB ALA 79 - HB3 ARG 57 lone 4 93 - 4 - QB ALA 79 - HB2 ARG 57 lone 4 93 - 4 - HD3 LYS 63 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 77 - HB3 ARG 57 lone 1 83 - 1 - HD2 LYS 77 - HB2 ARG 57 lone 1 83 - 1 - HD2 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HB3 LYS 61 - HB2 ARG 57 lone 1 73 - 1 - HB3 LYS 61 - HB3 ARG 57 lone 1 73 - 1 - HD3 LYS 45 - HB3 ARG 57 lone 1 85 - 1 - HD3 LYS 45 - HB2 ARG 57 lone 1 85 - 1 - HD2 LYS 45 - HB3 ARG 57 lone 1 81 - 1 - HD2 LYS 45 - HB2 ARG 57 lone 1 81 - 1 - HB ILE 40 - HB3 ARG 57 lone 1 100 - 1 - HB ILE 40 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 35 - HB3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HB2 ARG 57 lone 0 100 - 0 - HG12 ILE 27 - HB3 ARG 57 lone 0 73 - 1 - HG12 ILE 27 - HB2 ARG 57 lone 0 73 - 1 - HG12 ILE 39 - HB2 ARG 57 lone 0 97 - 0 - HG12 ILE 39 - HB3 ARG 57 lone 0 97 - 0 - Peak 2675 from cnoeabs.peaks (1.68, 1.89, 29.89 ppm; 2.61 A): 4 out of 36 assignments used, quality = 1.00: HG3 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 2687/1.8=7...(37) * HG3 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 2686/1.8=7...(37) HG2 ARG 57 + HB2 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) HG2 ARG 57 + HB3 ARG 57 OK 88 100 - 88 - 3.0=68, 1.8/2687=7...(37) QB ALA 79 - HB3 ARG 57 lone 4 96 - 4 - QB ALA 79 - HB2 ARG 57 lone 4 96 - 4 - HD3 LYS 63 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 77 - HB2 ARG 57 lone 1 78 - 1 - HD2 LYS 77 - HB3 ARG 57 lone 1 78 - 1 - HD2 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB3 ARG 57 lone 1 100 - 1 - HD3 LYS 44 - HB2 ARG 57 lone 1 100 - 1 - HB3 LYS 61 - HB2 ARG 57 lone 1 78 - 1 - HB3 LYS 61 - HB3 ARG 57 lone 1 78 - 1 - HD3 LYS 45 - HB2 ARG 57 lone 1 81 - 1 - HD3 LYS 45 - HB3 ARG 57 lone 1 81 - 1 - HB ILE 40 - HB2 ARG 57 lone 1 100 - 1 - HB ILE 40 - HB3 ARG 57 lone 1 100 - 1 - HD2 LYS 45 - HB2 ARG 57 lone 1 76 - 1 - HD2 LYS 45 - HB3 ARG 57 lone 1 76 - 1 - HD3 LYS 35 - HB3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HB2 ARG 57 lone 0 100 - 0 - HG12 ILE 27 - HB3 ARG 57 lone 0 78 - 1 - HG12 ILE 27 - HB2 ARG 57 lone 0 78 - 1 - HG12 ILE 39 - HB2 ARG 57 lone 0 96 - 0 - HG12 ILE 39 - HB3 ARG 57 lone 0 96 - 0 - Peak 2676 from cnoeabs.peaks (3.21, 1.89, 29.89 ppm; 3.43 A): 4 out of 8 assignments used, quality = 1.00: * HD2 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD2 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD3 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD3 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HB2 PHE 97 - HB2 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HB3 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HB2 ARG 57 lone 1 89 - 1 - HB2 ASP 84 - HB3 ARG 57 lone 1 89 - 1 - Peak 2677 from cnoeabs.peaks (3.21, 1.89, 29.89 ppm; 3.43 A): 4 out of 8 assignments used, quality = 1.00: HD3 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2663/3.0=11...(34) * HD3 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2663/3.0=11...(34) HD2 ARG 57 + HB2 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HD2 ARG 57 + HB3 ARG 57 OK 97 100 - 97 - 3.7=81, 2662/3.0=11...(34) HB2 PHE 97 - HB2 ARG 57 lone 1 95 - 1 - HB2 PHE 97 - HB3 ARG 57 lone 1 95 - 1 - HB2 ASP 84 - HB2 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HB3 ARG 57 lone 1 92 - 1 - Peak 2678 from cnoeabs.peaks (4.02, 1.68, 26.69 ppm; 3.69 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 57 + HG2 ARG 57 OK 97 100 - 97 - 3.9=86, 2660/1.8=18...(23) HA ARG 57 + HG3 ARG 57 OK 97 100 - 97 - 3.9=86, 2660/1.8=18...(23) HA SER 75 - HG3 ARG 57 lone 2 100 - 2 - HA SER 75 - HG2 ARG 57 lone 2 100 - 2 - HA LYS 44 - HG2 ARG 57 lone 1 60 - 2 - HA LYS 44 - HG3 ARG 57 lone 1 60 - 2 - HB2 SER 29 - HG2 ARG 57 lone 1 93 - 1 - HB2 SER 29 - HG3 ARG 57 lone 1 93 - 1 - HB3 SER 89 - HG2 ARG 57 lone 1 73 - 1 - HB3 SER 89 - HG3 ARG 57 lone 1 73 - 1 - Peak 2679 from cnoeabs.peaks (1.89, 1.68, 26.69 ppm; 2.72 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 1.8/2667=8...(37) HB3 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 1.8/2674=8...(37) HB3 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 LYS 63 - HG2 ARG 57 lone 5 95 - 5 - HB2 LYS 63 - HG3 ARG 57 lone 5 94 - 5 - HB2 LEU 62 - HG2 ARG 57 lone 2 100 - 2 - HB2 LEU 62 - HG3 ARG 57 lone 2 100 - 2 - HD3 LYS 77 - HG2 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HG3 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HG2 ARG 57 lone 0 97 - 0 - HB2 GLU 87 - HG3 ARG 57 lone 0 97 - 0 - HB ILE 27 - HG3 ARG 57 lone 0 62 - 1 - HB ILE 27 - HG2 ARG 57 lone 0 63 - 1 - HB2 PRO 92 - HG2 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HG3 ARG 57 lone 0 65 - 0 - Peak 2680 from cnoeabs.peaks (1.89, 1.68, 26.69 ppm; 2.72 A): 4 out of 16 assignments used, quality = 1.00: HB2 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 1.8/2667=8...(37) * HB3 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 1.8/2674=8...(37) HB3 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 LYS 63 - HG2 ARG 57 lone 5 95 - 5 - HB2 LYS 63 - HG3 ARG 57 lone 5 94 - 5 - HB2 LEU 62 - HG2 ARG 57 lone 2 100 - 2 - HB2 LEU 62 - HG3 ARG 57 lone 2 100 - 2 - HD3 LYS 77 - HG2 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HG3 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HG2 ARG 57 lone 0 97 - 0 - HB2 GLU 87 - HG3 ARG 57 lone 0 97 - 0 - HB ILE 27 - HG3 ARG 57 lone 0 62 - 1 - HB ILE 27 - HG2 ARG 57 lone 0 63 - 1 - HB2 PRO 92 - HG2 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HG3 ARG 57 lone 0 65 - 0 - Peak 2681 from cnoeabs.peaks (1.68, 1.68, 26.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 HG3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 Peak 2682 from cnoeabs.peaks (1.68, 1.68, 26.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 HG3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 Reference assignment not found: HG3 ARG 57 - HG2 ARG 57 Peak 2683 from cnoeabs.peaks (3.21, 1.68, 26.69 ppm; 2.84 A): 4 out of 8 assignments used, quality = 1.00: * HD2 ARG 57 + HG2 ARG 57 OK 95 100 - 95 - 3.0=88, 2695/1.8=8...(26) HD3 ARG 57 + HG2 ARG 57 OK 95 100 - 95 - 3.0=88, 1.8/2695=8...(26) HD2 ARG 57 + HG3 ARG 57 OK 94 100 - 95 - 3.0=88, 2695/1.8=8...(26) HD3 ARG 57 + HG3 ARG 57 OK 94 100 - 95 - 3.0=88, 1.8/2695=8...(26) HB2 ASP 84 - HG3 ARG 57 lone 1 88 - 1 - HB2 ASP 84 - HG2 ARG 57 lone 1 89 - 1 - HB2 PHE 97 - HG2 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HG3 ARG 57 lone 1 92 - 1 - Peak 2684 from cnoeabs.peaks (3.21, 1.68, 26.69 ppm; 2.84 A): 4 out of 8 assignments used, quality = 1.00: * HD3 ARG 57 + HG2 ARG 57 OK 95 100 - 95 - 3.0=88, 1.8/2695=8...(26) HD2 ARG 57 + HG2 ARG 57 OK 95 100 - 95 - 3.0=88, 1.8/2695=8...(26) HD3 ARG 57 + HG3 ARG 57 OK 94 100 - 95 - 3.0=88, 1.8/2695=8...(26) HD2 ARG 57 + HG3 ARG 57 OK 94 100 - 95 - 3.0=88, 2695/1.8=8...(26) HB2 ASP 84 - HG3 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HG2 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HG2 ARG 57 lone 1 95 - 1 - HB2 PHE 97 - HG3 ARG 57 lone 1 94 - 1 - Peak 2685 from cnoeabs.peaks (4.02, 1.68, 26.69 ppm; 3.69 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 57 + HG3 ARG 57 OK 97 100 - 97 - 3.9=86, 2660/1.8=18...(23) HA ARG 57 + HG2 ARG 57 OK 97 100 - 97 - 3.9=86, 2660/1.8=18...(23) HA SER 75 - HG3 ARG 57 lone 2 100 - 2 - HA SER 75 - HG2 ARG 57 lone 2 100 - 2 - HA LYS 44 - HG3 ARG 57 lone 1 60 - 2 - HA LYS 44 - HG2 ARG 57 lone 1 60 - 2 - HB2 SER 29 - HG3 ARG 57 lone 1 93 - 1 - HB2 SER 29 - HG2 ARG 57 lone 1 93 - 1 - HB3 SER 89 - HG3 ARG 57 lone 1 73 - 1 - HB3 SER 89 - HG2 ARG 57 lone 1 73 - 1 - Peak 2686 from cnoeabs.peaks (1.89, 1.68, 26.69 ppm; 2.72 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB3 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB3 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 2674/1.8=8...(37) HB2 LYS 63 - HG3 ARG 57 lone 5 95 - 5 - HB2 LYS 63 - HG2 ARG 57 lone 5 94 - 5 - HB2 LEU 62 - HG2 ARG 57 lone 2 100 - 2 - HB2 LEU 62 - HG3 ARG 57 lone 2 100 - 2 - HD3 LYS 77 - HG3 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HG2 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HG3 ARG 57 lone 0 97 - 0 - HB2 GLU 87 - HG2 ARG 57 lone 0 97 - 0 - HB ILE 27 - HG3 ARG 57 lone 0 63 - 1 - HB ILE 27 - HG2 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HG3 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HG2 ARG 57 lone 0 65 - 0 - Peak 2687 from cnoeabs.peaks (1.89, 1.68, 26.69 ppm; 2.72 A): 4 out of 16 assignments used, quality = 1.00: HB2 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) * HB3 ARG 57 + HG3 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB3 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 2667/1.8=8...(37) HB2 ARG 57 + HG2 ARG 57 OK 92 100 - 92 - 3.0=77, 2674/1.8=8...(37) HB2 LYS 63 - HG3 ARG 57 lone 5 95 - 5 - HB2 LYS 63 - HG2 ARG 57 lone 5 94 - 5 - HB2 LEU 62 - HG2 ARG 57 lone 2 100 - 2 - HB2 LEU 62 - HG3 ARG 57 lone 2 100 - 2 - HD3 LYS 77 - HG3 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HG2 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HG3 ARG 57 lone 0 97 - 0 - HB2 GLU 87 - HG2 ARG 57 lone 0 97 - 0 - HB ILE 27 - HG3 ARG 57 lone 0 63 - 1 - HB ILE 27 - HG2 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HG3 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HG2 ARG 57 lone 0 65 - 0 - Peak 2688 from cnoeabs.peaks (1.68, 1.68, 26.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 HG2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 Reference assignment not found: HG2 ARG 57 - HG3 ARG 57 Peak 2689 from cnoeabs.peaks (1.68, 1.68, 26.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 57 + HG3 ARG 57 OK 100 100 - 100 HG2 ARG 57 + HG2 ARG 57 OK 100 100 - 100 Peak 2690 from cnoeabs.peaks (3.21, 1.68, 26.69 ppm; 2.84 A): 4 out of 8 assignments used, quality = 1.00: * HD2 ARG 57 + HG3 ARG 57 OK 95 100 - 95 - 3.0=88, 2695/1.8=8...(26) HD3 ARG 57 + HG3 ARG 57 OK 95 100 - 95 - 3.0=88, 1.8/2696=8...(26) HD2 ARG 57 + HG2 ARG 57 OK 94 100 - 95 - 3.0=88, 2695/1.8=8...(26) HD3 ARG 57 + HG2 ARG 57 OK 94 100 - 95 - 3.0=88, 1.8/2695=8...(26) HB2 ASP 84 - HG3 ARG 57 lone 1 89 - 1 - HB2 ASP 84 - HG2 ARG 57 lone 1 88 - 1 - HB2 PHE 97 - HG3 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HG2 ARG 57 lone 1 92 - 1 - Peak 2691 from cnoeabs.peaks (3.21, 1.68, 26.69 ppm; 2.84 A): 4 out of 8 assignments used, quality = 1.00: * HD3 ARG 57 + HG3 ARG 57 OK 95 100 - 95 - 3.0=88, 1.8/2696=8...(26) HD2 ARG 57 + HG3 ARG 57 OK 95 100 - 95 - 3.0=88, 2695/1.8=8...(26) HD3 ARG 57 + HG2 ARG 57 OK 94 100 - 95 - 3.0=88, 1.8/2695=8...(26) HD2 ARG 57 + HG2 ARG 57 OK 94 100 - 95 - 3.0=88, 2695/1.8=8...(26) HB2 ASP 84 - HG3 ARG 57 lone 1 92 - 1 - HB2 ASP 84 - HG2 ARG 57 lone 1 92 - 1 - HB2 PHE 97 - HG3 ARG 57 lone 1 95 - 1 - HB2 PHE 97 - HG2 ARG 57 lone 1 94 - 1 - Peak 2692 from cnoeabs.peaks (4.02, 3.21, 43.01 ppm; 4.11 A): 2 out of 10 assignments used, quality = 0.99: * HA ARG 57 + HD2 ARG 57 OK 90 100 - 90 - 5.5=43, 2662/1.8=20...(22) HA ARG 57 + HD3 ARG 57 OK 90 100 - 90 - 5.5=43, 2662/1.8=20...(22) HA SER 75 - HD2 ARG 57 lone 2 100 - 2 - HA SER 75 - HD3 ARG 57 lone 2 100 - 2 - HB2 SER 29 - HD2 ARG 57 lone 1 93 - 1 - HB2 SER 29 - HD3 ARG 57 lone 1 93 - 1 - HA LYS 44 - HD2 ARG 57 lone 1 60 - 2 - HA LYS 44 - HD3 ARG 57 lone 1 60 - 2 - HB3 SER 89 - HD2 ARG 57 lone 1 73 - 1 - HB3 SER 89 - HD3 ARG 57 lone 1 73 - 1 - Peak 2693 from cnoeabs.peaks (1.89, 3.21, 43.01 ppm; 3.26 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB3 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB3 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 LYS 63 - HD2 ARG 57 lone 3 95 - 3 - HB2 LYS 63 - HD3 ARG 57 lone 3 94 - 3 - HB2 LEU 62 - HD2 ARG 57 lone 1 100 - 1 - HB2 LEU 62 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 77 - HD2 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HD3 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HD2 ARG 57 lone 1 97 - 1 - HB2 GLU 87 - HD3 ARG 57 lone 1 97 - 1 - HB ILE 27 - HD2 ARG 57 lone 0 63 - 1 - HB ILE 27 - HD3 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HD2 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HD3 ARG 57 lone 0 65 - 0 - Peak 2694 from cnoeabs.peaks (1.89, 3.21, 43.01 ppm; 3.26 A): 4 out of 16 assignments used, quality = 1.00: HB2 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) * HB3 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB3 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 LYS 63 - HD2 ARG 57 lone 3 95 - 3 - HB2 LYS 63 - HD3 ARG 57 lone 3 94 - 3 - HB2 LEU 62 - HD2 ARG 57 lone 1 100 - 1 - HB2 LEU 62 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 77 - HD2 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HD3 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HD2 ARG 57 lone 1 97 - 1 - HB2 GLU 87 - HD3 ARG 57 lone 1 97 - 1 - HB ILE 27 - HD2 ARG 57 lone 0 63 - 1 - HB ILE 27 - HD3 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HD2 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HD3 ARG 57 lone 0 65 - 0 - Peak 2695 from cnoeabs.peaks (1.68, 3.21, 43.01 ppm; 2.68 A): 4 out of 36 assignments used, quality = 1.00: * HG2 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2690=7...(26) HG3 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2683=7...(26) HG2 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2683/1.8=7...(26) HG3 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2683=7...(26) QB ALA 79 - HD3 ARG 57 lone 2 93 - 2 - QB ALA 79 - HD2 ARG 57 lone 2 93 - 2 - HD2 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD2 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HB ILE 40 - HD3 ARG 57 lone 0 100 - 0 - HB ILE 40 - HD2 ARG 57 lone 0 100 - 0 - HD2 LYS 77 - HD2 ARG 57 lone 0 83 - 1 - HD2 LYS 77 - HD3 ARG 57 lone 0 83 - 1 - HD3 LYS 35 - HD3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HD2 ARG 57 lone 0 100 - 0 - HD3 LYS 45 - HD2 ARG 57 lone 0 85 - 0 - HD3 LYS 45 - HD3 ARG 57 lone 0 85 - 0 - HG12 ILE 39 - HD2 ARG 57 lone 0 97 - 0 - HG12 ILE 39 - HD3 ARG 57 lone 0 97 - 0 - HD2 LYS 45 - HD2 ARG 57 lone 0 81 - 0 - HD2 LYS 45 - HD3 ARG 57 lone 0 80 - 0 - HB3 LYS 61 - HD2 ARG 57 lone 0 73 - 0 - HB3 LYS 61 - HD3 ARG 57 lone 0 73 - 0 - HG12 ILE 27 - HD2 ARG 57 lone 0 73 - 0 - HG12 ILE 27 - HD3 ARG 57 lone 0 73 - 0 - Peak 2696 from cnoeabs.peaks (1.68, 3.21, 43.01 ppm; 2.68 A): 4 out of 36 assignments used, quality = 1.00: * HG3 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2683=7...(26) HG2 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2690=7...(26) HG3 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2690/1.8=7...(26) HG2 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2683/1.8=7...(26) QB ALA 79 - HD3 ARG 57 lone 2 95 - 2 - QB ALA 79 - HD2 ARG 57 lone 2 96 - 2 - HD2 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD2 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HB ILE 40 - HD3 ARG 57 lone 0 100 - 0 - HB ILE 40 - HD2 ARG 57 lone 0 100 - 0 - HD2 LYS 77 - HD2 ARG 57 lone 0 78 - 1 - HD2 LYS 77 - HD3 ARG 57 lone 0 78 - 1 - HD3 LYS 35 - HD3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HD2 ARG 57 lone 0 100 - 0 - HG12 ILE 39 - HD2 ARG 57 lone 0 96 - 0 - HG12 ILE 39 - HD3 ARG 57 lone 0 95 - 0 - HD3 LYS 45 - HD2 ARG 57 lone 0 81 - 0 - HD3 LYS 45 - HD3 ARG 57 lone 0 80 - 0 - HB3 LYS 61 - HD2 ARG 57 lone 0 78 - 0 - HB3 LYS 61 - HD3 ARG 57 lone 0 78 - 0 - HG12 ILE 27 - HD2 ARG 57 lone 0 78 - 0 - HG12 ILE 27 - HD3 ARG 57 lone 0 78 - 0 - HD2 LYS 45 - HD2 ARG 57 lone 0 76 - 0 - HD2 LYS 45 - HD3 ARG 57 lone 0 76 - 0 - Peak 2697 from cnoeabs.peaks (3.21, 3.21, 43.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 HD3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 Peak 2698 from cnoeabs.peaks (3.21, 3.21, 43.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 HD3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 Reference assignment not found: HD3 ARG 57 - HD2 ARG 57 Peak 2699 from cnoeabs.peaks (4.02, 3.21, 43.01 ppm; 4.11 A): 2 out of 10 assignments used, quality = 0.99: * HA ARG 57 + HD3 ARG 57 OK 90 100 - 90 - 5.5=43, 2662/1.8=20...(22) HA ARG 57 + HD2 ARG 57 OK 90 100 - 90 - 5.5=43, 2662/1.8=20...(22) HA SER 75 - HD3 ARG 57 lone 2 100 - 2 - HA SER 75 - HD2 ARG 57 lone 2 100 - 2 - HB2 SER 29 - HD3 ARG 57 lone 1 93 - 1 - HB2 SER 29 - HD2 ARG 57 lone 1 93 - 1 - HA LYS 44 - HD3 ARG 57 lone 1 60 - 2 - HA LYS 44 - HD2 ARG 57 lone 1 60 - 2 - HB3 SER 89 - HD3 ARG 57 lone 1 73 - 1 - HB3 SER 89 - HD2 ARG 57 lone 1 73 - 1 - Peak 2700 from cnoeabs.peaks (1.89, 3.21, 43.01 ppm; 3.26 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2663=10...(34) HB3 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2663=10...(34) HB3 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 LYS 63 - HD3 ARG 57 lone 3 95 - 3 - HB2 LYS 63 - HD2 ARG 57 lone 3 94 - 3 - HB2 LEU 62 - HD3 ARG 57 lone 1 100 - 1 - HB2 LEU 62 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 77 - HD3 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HD2 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HD3 ARG 57 lone 1 97 - 1 - HB2 GLU 87 - HD2 ARG 57 lone 1 97 - 1 - HB ILE 27 - HD3 ARG 57 lone 0 63 - 1 - HB ILE 27 - HD2 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HD3 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HD2 ARG 57 lone 0 65 - 0 - Peak 2701 from cnoeabs.peaks (1.89, 3.21, 43.01 ppm; 3.26 A): 4 out of 16 assignments used, quality = 1.00: HB2 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2663=10...(34) * HB3 ARG 57 + HD3 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2663=10...(34) HB3 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 ARG 57 + HD2 ARG 57 OK 94 100 - 94 - 3.7=70, 3.0/2662=10...(34) HB2 LYS 63 - HD3 ARG 57 lone 3 95 - 3 - HB2 LYS 63 - HD2 ARG 57 lone 3 94 - 3 - HB2 LEU 62 - HD3 ARG 57 lone 1 100 - 1 - HB2 LEU 62 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 77 - HD3 ARG 57 lone 1 65 - 1 - HD3 LYS 77 - HD2 ARG 57 lone 1 65 - 1 - HB2 GLU 87 - HD3 ARG 57 lone 1 97 - 1 - HB2 GLU 87 - HD2 ARG 57 lone 1 97 - 1 - HB ILE 27 - HD3 ARG 57 lone 0 63 - 1 - HB ILE 27 - HD2 ARG 57 lone 0 62 - 1 - HB2 PRO 92 - HD3 ARG 57 lone 0 65 - 0 - HB2 PRO 92 - HD2 ARG 57 lone 0 65 - 0 - Peak 2702 from cnoeabs.peaks (1.68, 3.21, 43.01 ppm; 2.68 A): 4 out of 36 assignments used, quality = 1.00: * HG2 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2683/1.8=7...(26) HG3 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2684=7...(26) HG2 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 2683/1.8=7...(26) HG3 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2683=7...(26) QB ALA 79 - HD3 ARG 57 lone 2 93 - 2 - QB ALA 79 - HD2 ARG 57 lone 2 93 - 2 - HD2 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD2 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HB ILE 40 - HD3 ARG 57 lone 0 100 - 0 - HB ILE 40 - HD2 ARG 57 lone 0 100 - 0 - HD2 LYS 77 - HD3 ARG 57 lone 0 83 - 1 - HD2 LYS 77 - HD2 ARG 57 lone 0 83 - 1 - HD3 LYS 35 - HD3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HD2 ARG 57 lone 0 100 - 0 - HD3 LYS 45 - HD3 ARG 57 lone 0 85 - 0 - HD3 LYS 45 - HD2 ARG 57 lone 0 85 - 0 - HG12 ILE 39 - HD3 ARG 57 lone 0 97 - 0 - HG12 ILE 39 - HD2 ARG 57 lone 0 97 - 0 - HD2 LYS 45 - HD3 ARG 57 lone 0 81 - 0 - HD2 LYS 45 - HD2 ARG 57 lone 0 80 - 0 - HB3 LYS 61 - HD3 ARG 57 lone 0 73 - 0 - HG12 ILE 27 - HD3 ARG 57 lone 0 73 - 0 - HB3 LYS 61 - HD2 ARG 57 lone 0 73 - 0 - HG12 ILE 27 - HD2 ARG 57 lone 0 73 - 0 - Peak 2703 from cnoeabs.peaks (1.68, 3.21, 43.01 ppm; 2.68 A): 4 out of 36 assignments used, quality = 1.00: * HG3 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2690/1.8=7...(26) HG2 ARG 57 + HD3 ARG 57 OK 87 100 - 87 - 3.0=73, 2683/1.8=7...(26) HG3 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2683=7...(26) HG2 ARG 57 + HD2 ARG 57 OK 87 100 - 87 - 3.0=73, 1.8/2690=7...(26) QB ALA 79 - HD3 ARG 57 lone 2 96 - 2 - QB ALA 79 - HD2 ARG 57 lone 2 95 - 2 - HD3 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 94 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 63 - HD2 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD3 ARG 57 lone 1 100 - 1 - HD3 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 61 - HD2 ARG 57 lone 1 100 - 1 - HD2 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD3 ARG 57 lone 1 100 - 0 - HD2 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HD3 LYS 44 - HD2 ARG 57 lone 1 100 - 0 - HB ILE 40 - HD3 ARG 57 lone 0 100 - 0 - HB ILE 40 - HD2 ARG 57 lone 0 100 - 0 - HD2 LYS 77 - HD3 ARG 57 lone 0 78 - 1 - HD2 LYS 77 - HD2 ARG 57 lone 0 78 - 1 - HD3 LYS 35 - HD3 ARG 57 lone 0 100 - 0 - HD3 LYS 35 - HD2 ARG 57 lone 0 100 - 0 - HG12 ILE 39 - HD3 ARG 57 lone 0 96 - 0 - HG12 ILE 39 - HD2 ARG 57 lone 0 95 - 0 - HD3 LYS 45 - HD3 ARG 57 lone 0 81 - 0 - HD3 LYS 45 - HD2 ARG 57 lone 0 80 - 0 - HB3 LYS 61 - HD3 ARG 57 lone 0 78 - 0 - HG12 ILE 27 - HD3 ARG 57 lone 0 78 - 0 - HB3 LYS 61 - HD2 ARG 57 lone 0 78 - 0 - HG12 ILE 27 - HD2 ARG 57 lone 0 78 - 0 - HD2 LYS 45 - HD3 ARG 57 lone 0 76 - 0 - HD2 LYS 45 - HD2 ARG 57 lone 0 76 - 0 - Peak 2704 from cnoeabs.peaks (3.21, 3.21, 43.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 HD2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 Reference assignment not found: HD2 ARG 57 - HD3 ARG 57 Peak 2705 from cnoeabs.peaks (3.21, 3.21, 43.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 57 + HD3 ARG 57 OK 100 100 - 100 HD2 ARG 57 + HD2 ARG 57 OK 100 100 - 100 Peak 2706 from cnoeabs.peaks (8.56, 4.26, 58.00 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 58 + HA GLU 58 OK 100 100 - 100 - 3.0=100 Peak 2707 from cnoeabs.peaks (4.26, 4.26, 58.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 58 + HA GLU 58 OK 100 100 - 100 HA LYS 45 + HA LYS 45 OK 49 49 - 100 Peak 2708 from cnoeabs.peaks (2.13, 4.26, 58.00 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 58 + HA GLU 58 OK 100 100 - 100 - 3.0=100 HB3 GLU 58 + HA GLU 58 OK 71 71 - 100 - 3.0=100 Peak 2709 from cnoeabs.peaks (2.16, 4.26, 58.00 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 58 + HA GLU 58 OK 100 100 - 100 - 3.0=100 HB2 GLU 58 + HA GLU 58 OK 71 71 - 100 - 3.0=100 Peak 2710 from cnoeabs.peaks (2.24, 4.26, 58.00 ppm; 4.00 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 58 + HA GLU 58 OK 100 100 - 100 - 4.1=90, 2716/3.0=32...(17) HG3 GLU 23 - HA GLU 58 OK 43 92 - 47 - 2725=9, 854/3.0=8...(12) HB2 PRO 49 - HA GLU 58 lone 4 89 - 4 - HB2 PRO 49 - HA LYS 45 lone 2 56 - 3 - HG2 GLU 28 - HA GLU 58 lone 2 68 - 2 - HG2 GLU 58 - HA LYS 45 lone 1 70 - 1 - HG3 GLU 23 - HA LYS 45 lone 1 59 - 1 - HG2 GLU 28 - HA LYS 45 lone 0 40 - 1 - Peak 2711 from cnoeabs.peaks (2.31, 4.26, 58.00 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 58 + HA GLU 58 OK 100 100 - 100 - 4.1=100 Peak 2712 from cnoeabs.peaks (8.56, 2.13, 30.13 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.94: * H GLU 58 + HB2 GLU 58 OK 94 100 - 94 - 4.0=79, 853/1.8=26...(10) H LEU 53 - HB2 GLU 58 lone 4 76 - 5 - 2730/3.0=1, 2724/3.0=1 H GLU 58 - HB2 GLN 36 lone 1 34 - 4 - H LEU 53 - HB2 GLN 36 lone 0 21 - 1 - Peak 2713 from cnoeabs.peaks (4.26, 2.13, 30.13 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 58 + HB2 GLU 58 OK 100 100 - 100 - 3.0=100 Peak 2714 from cnoeabs.peaks (2.13, 2.13, 30.13 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 58 + HB2 GLU 58 OK 100 100 - 100 HB2 GLN 36 - HB2 GLN 36 OK 23 23 - 100 Peak 2715 from cnoeabs.peaks (2.16, 2.13, 30.13 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: HB2 GLU 58 + HB2 GLU 58 OK 71 71 - 100 Reference assignment not found: HB3 GLU 58 - HB2 GLU 58 Peak 2716 from cnoeabs.peaks (2.24, 2.13, 30.13 ppm; 2.77 A): 2 out of 8 assignments used, quality = 0.94: * HG2 GLU 58 + HB2 GLU 58 OK 93 100 - 93 - 3.0=78, 1.8/2717=20...(14) HG3 GLU 23 + HB2 GLU 58 OK 22 92 - 24 - 2726=4, 1.8/2717=4...(9) HG2 GLU 58 - HB2 GLN 36 lone 2 34 - 5 - 1.8/2732=1 HB2 PRO 49 - HB2 GLU 58 lone 1 89 - 1 - HG2 GLU 28 - HB2 GLU 58 lone 1 68 - 1 - HG3 GLU 23 - HB2 GLN 36 lone 0 28 - 1 - HB2 PRO 49 - HB2 GLN 36 lone 0 26 - 0 - HG2 GLU 28 - HB2 GLN 36 lone 0 18 - 0 - Peak 2717 from cnoeabs.peaks (2.31, 2.13, 30.13 ppm; 2.83 A): 1 out of 10 assignments used, quality = 0.95: * HG3 GLU 58 + HB2 GLU 58 OK 95 100 - 95 - 3.0=83, 1.8/2716=26...(15) HG3 GLN 36 - HB2 GLN 36 OK 29 31 - 91 - 3.0=85, 1879/3.0=13...(8) HG2 GLU 23 - HB2 GLU 58 OK 19 78 - 25 - 1.8/2716=6, ~2722=3...(10) HG3 GLN 36 - HB2 GLU 58 lone 3 97 - 3 - HG3 GLU 58 - HB2 GLN 36 lone 3 34 - 7 - 2732=2, 1879/3.0=2, 739/4.0=1 HB3 PRO 73 - HB2 GLU 58 lone 2 92 - 2 - HB3 PRO 73 - HB2 GLN 36 lone 0 28 - 1 - HG2 GLN 48 - HB2 GLN 36 lone 0 15 - 3 - HG2 GLU 23 - HB2 GLN 36 lone 0 22 - 1 - HG2 GLN 48 - HB2 GLU 58 lone 0 57 - 0 - Peak 2718 from cnoeabs.peaks (8.56, 2.16, 30.13 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.96: * H GLU 58 + HB3 GLU 58 OK 96 100 - 96 - 4.0=86, 852/1.8=25...(10) H LEU 53 - HB3 GLU 58 lone 5 76 - 6 - 2730/3.0=1, 2724/3.0=1 Peak 2719 from cnoeabs.peaks (4.26, 2.16, 30.13 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 58 + HB3 GLU 58 OK 100 100 - 100 - 3.0=100 Peak 2720 from cnoeabs.peaks (2.13, 2.16, 30.13 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: HB3 GLU 58 + HB3 GLU 58 OK 71 71 - 100 Reference assignment not found: HB2 GLU 58 - HB3 GLU 58 Peak 2721 from cnoeabs.peaks (2.16, 2.16, 30.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 58 + HB3 GLU 58 OK 100 100 - 100 Peak 2722 from cnoeabs.peaks (2.24, 2.16, 30.13 ppm; 2.85 A): 1 out of 4 assignments used, quality = 0.96: * HG2 GLU 58 + HB3 GLU 58 OK 96 100 - 96 - 3.0=85, 1.8/2723=25...(15) HG3 GLU 23 - HB3 GLU 58 OK 23 92 - 25 - 1.8/2723=5, 2727=4...(9) HB2 PRO 49 - HB3 GLU 58 lone 1 89 - 1 - HG2 GLU 28 - HB3 GLU 58 lone 1 68 - 1 - Peak 2723 from cnoeabs.peaks (2.31, 2.16, 30.13 ppm; 2.93 A): 1 out of 5 assignments used, quality = 0.98: * HG3 GLU 58 + HB3 GLU 58 OK 98 100 - 98 - 3.0=92, 1.8/2722=28...(15) HG2 GLU 23 - HB3 GLU 58 OK 21 78 - 27 - 1.8/2722=6, ~2716=4...(10) HG3 GLN 36 - HB3 GLU 58 lone 3 97 - 3 - HB3 PRO 73 - HB3 GLU 58 lone 2 92 - 3 - 263/4.6=1 HG2 GLN 48 - HB3 GLU 58 lone 0 57 - 0 - Peak 2724 from cnoeabs.peaks (8.56, 2.24, 36.21 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.93: * H GLU 58 + HG2 GLU 58 OK 93 100 - 93 - 4.9=58, 855/1.8=32...(8) H GLU 58 - HG3 GLU 23 OK 26 62 - 42 - 854=12, 855/1.8=9...(7) H LEU 53 - HG2 GLU 58 lone 6 76 - 8 - 2730/1.8=2, 2718/3.0=2...(4) H LEU 53 - HG3 GLU 23 lone 1 40 - 2 - Peak 2725 from cnoeabs.peaks (4.26, 2.24, 36.21 ppm; 3.66 A): 1 out of 16 assignments used, quality = 0.98: * HA GLU 58 + HG2 GLU 58 OK 98 100 - 98 - 4.1=69, 3.0/2716=28...(17) HA GLU 58 - HG3 GLU 23 OK 27 62 - 43 - 2710=11, 3.0/854=7...(12) HA VAL 68 - HG2 GLU 58 lone 6 85 - 7 - 2731/1.8=2, 3.0/4238=2...(4) HA ALA 79 - HG3 GLU 23 lone 5 61 - 9 - ~1504=2, ~4865=2...(6) HD2 PRO 73 - HG2 GLU 58 lone 3 97 - 2 - HA3 GLY 85 - HG2 GLU 58 lone 2 100 - 2 - HA LYS 63 - HG3 GLU 23 lone 2 60 - 3 - HA ALA 79 - HG2 GLU 58 lone 1 100 - 1 - HA3 GLY 64 - HG3 GLU 23 lone 1 37 - 4 - ~4857=1 HA VAL 68 - HG3 GLU 23 lone 1 46 - 2 - HA LYS 63 - HG2 GLU 58 lone 1 99 - 1 - HA3 GLY 64 - HG2 GLU 58 lone 1 71 - 1 - HA LYS 45 - HG2 GLU 58 lone 1 81 - 1 - HA3 GLY 85 - HG3 GLU 23 lone 0 62 - 1 - HD2 PRO 73 - HG3 GLU 23 lone 0 57 - 1 - HA LYS 45 - HG3 GLU 23 lone 0 43 - 1 - Peak 2726 from cnoeabs.peaks (2.13, 2.24, 36.21 ppm; 2.60 A): 2 out of 16 assignments used, quality = 0.96: * HB2 GLU 58 + HG2 GLU 58 OK 88 100 - 88 - 3.0=65, 1.8/2722=22...(14) HB3 GLU 58 + HG2 GLU 58 OK 62 71 - 88 - 3.0=65, 1.8/2716=23...(15) HB2 GLU 58 - HG3 GLU 23 OK 16 62 - 26 - 2716=7, 1.8/2722=5...(8) HB3 GLU 58 - HG3 GLU 23 poor 8 37 - 23 - 1.8/2716=5, 2722=5...(7) HB2 GLN 36 - HG2 GLU 58 lone 3 81 - 4 - 1887/1.8=1 HG2 PRO 74 - HG2 GLU 58 lone 1 68 - 1 - HB2 GLN 19 - HG2 GLU 58 lone 1 85 - 1 - HG3 GLU 65 - HG2 GLU 58 lone 1 100 - 1 - HB3 LYS 35 - HG2 GLU 58 lone 1 60 - 1 - HB3 LYS 77 - HG2 GLU 58 lone 1 71 - 1 - HB2 GLN 36 - HG3 GLU 23 lone 0 43 - 1 - HB2 GLN 19 - HG3 GLU 23 lone 0 46 - 1 - HB3 LYS 35 - HG3 GLU 23 lone 0 30 - 1 - HB3 LYS 77 - HG3 GLU 23 lone 0 37 - 1 - HG3 GLU 65 - HG3 GLU 23 lone 0 61 - 0 - HG2 PRO 74 - HG3 GLU 23 lone 0 35 - 0 - Peak 2727 from cnoeabs.peaks (2.16, 2.24, 36.21 ppm; 2.57 A): 2 out of 16 assignments used, quality = 0.95: * HB3 GLU 58 + HG2 GLU 58 OK 88 100 - 88 - 3.0=62, 1.8/2716=22...(15) HB2 GLU 58 + HG2 GLU 58 OK 61 71 - 86 - 3.0=62, 1.8/2722=22...(14) HB3 GLU 58 - HG3 GLU 23 OK 15 62 - 25 - 2722=7, 1.8/2716=5...(7) HB2 GLU 58 - HG3 GLU 23 poor 8 37 - 22 - 1.8/2722=5, 2716=5...(7) HB2 PRO 73 - HG2 GLU 58 lone 2 99 - 2 - HB3 LYS 35 - HG2 GLU 58 lone 1 100 - 1 - HB3 LYS 35 - HG3 GLU 23 lone 1 61 - 1 - HB3 PRO 92 - HG2 GLU 58 lone 1 95 - 1 - HG3 PRO 92 - HG2 GLU 58 lone 0 89 - 1 - HG3 GLU 65 - HG2 GLU 58 lone 0 83 - 1 - HB3 PRO 92 - HG3 GLU 23 lone 0 54 - 1 - HG3 PRO 92 - HG3 GLU 23 lone 0 49 - 1 - HB2 PRO 73 - HG3 GLU 23 lone 0 59 - 0 - HB2 PHE 88 - HG2 GLU 58 lone 0 81 - 0 - HG3 GLU 65 - HG3 GLU 23 lone 0 44 - 0 - HB2 PHE 88 - HG3 GLU 23 lone 0 43 - 0 - Peak 2728 from cnoeabs.peaks (2.24, 2.24, 36.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 58 + HG2 GLU 58 OK 100 100 - 100 HG3 GLU 23 + HG3 GLU 23 OK 52 52 - 100 Peak 2729 from cnoeabs.peaks (2.31, 2.24, 36.21 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 58 + HG2 GLU 58 OK 100 100 - 100 - 1.8=100 HG2 GLU 23 - HG3 GLU 23 OK 41 41 - 100 - 1.8=100 Peak 2730 from cnoeabs.peaks (8.56, 2.31, 36.21 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.95: * H GLU 58 + HG3 GLU 58 OK 95 100 - 95 - 4.9=60, 2712/3.0=32...(9) H GLU 58 - HG2 GLU 23 OK 19 45 - 41 - 854/1.8=11, 855=11...(8) H LEU 53 - HG3 GLU 58 lone 6 76 - 8 - 2724/1.8=2, 2718/3.0=2...(4) H LEU 53 - HG2 GLU 23 lone 0 29 - 2 - Peak 2731 from cnoeabs.peaks (4.26, 2.31, 36.21 ppm; 3.68 A): 1 out of 16 assignments used, quality = 0.97: * HA GLU 58 + HG3 GLU 58 OK 97 100 - 97 - 4.1=70, 3.0/2723=28...(16) HA GLU 58 - HG2 GLU 23 OK 17 45 - 39 - 2710/1.8=9, 3.0/855=6...(11) HA VAL 68 - HG3 GLU 58 lone 6 85 - 7 - 2725/1.8=2, 3.0/4239=2, ~4238=1 HA ALA 79 - HG2 GLU 23 lone 4 45 - 8 - ~1510=2, ~4867=2...(5) HD2 PRO 73 - HG3 GLU 58 lone 3 97 - 3 - HA3 GLY 85 - HG3 GLU 58 lone 2 100 - 2 - HA ALA 79 - HG3 GLU 58 lone 1 100 - 1 - HA LYS 63 - HG2 GLU 23 lone 1 44 - 2 - HA LYS 63 - HG3 GLU 58 lone 1 99 - 1 - HA3 GLY 64 - HG2 GLU 23 lone 1 26 - 3 - HA3 GLY 64 - HG3 GLU 58 lone 1 71 - 1 - HA VAL 68 - HG2 GLU 23 lone 1 33 - 2 - HA LYS 45 - HG3 GLU 58 lone 1 81 - 1 - HD2 PRO 73 - HG2 GLU 23 lone 0 42 - 1 - HA3 GLY 85 - HG2 GLU 23 lone 0 45 - 1 - HA LYS 45 - HG2 GLU 23 lone 0 31 - 1 - Peak 2732 from cnoeabs.peaks (2.13, 2.31, 36.21 ppm; 2.74 A): 2 out of 16 assignments used, quality = 0.98: * HB2 GLU 58 + HG3 GLU 58 OK 94 100 - 94 - 3.0=75, 2716/1.8=25...(15) HB3 GLU 58 + HG3 GLU 58 OK 65 71 - 92 - 3.0=75, 1.8/2717=19...(15) HB2 GLU 58 - HG2 GLU 23 OK 13 45 - 28 - 2716/1.8=6, 2717=6...(10) HB3 GLU 58 - HG2 GLU 23 poor 6 26 - 24 - 2723=4, 1.8/2717=4...(10) HB2 GLN 36 - HG3 GLU 58 lone 6 81 - 7 - 1887=2, 3.0/1879=1, 4.0/739=1 HB3 LYS 35 - HG3 GLU 58 lone 1 60 - 2 - HG2 PRO 74 - HG3 GLU 58 lone 1 68 - 2 - HB2 GLN 19 - HG3 GLU 58 lone 1 85 - 1 - HG3 GLU 65 - HG3 GLU 58 lone 1 100 - 1 - HB3 LYS 77 - HG3 GLU 58 lone 1 71 - 1 - HB2 GLN 36 - HG2 GLU 23 lone 0 31 - 1 - HB2 GLN 19 - HG2 GLU 23 lone 0 33 - 1 - HB3 LYS 77 - HG2 GLU 23 lone 0 26 - 1 - HB3 LYS 35 - HG2 GLU 23 lone 0 21 - 1 - HG3 GLU 65 - HG2 GLU 23 lone 0 45 - 0 - HG2 PRO 74 - HG2 GLU 23 lone 0 25 - 0 - Peak 2733 from cnoeabs.peaks (2.16, 2.31, 36.21 ppm; 2.70 A): 2 out of 16 assignments used, quality = 0.97: * HB3 GLU 58 + HG3 GLU 58 OK 92 100 - 92 - 3.0=72, 2722/1.8=24...(15) HB2 GLU 58 + HG3 GLU 58 OK 65 71 - 92 - 3.0=72, 1.8/2723=23...(15) HB3 GLU 58 - HG2 GLU 23 OK 12 45 - 27 - 2723=6, 2722/1.8=6...(10) HB2 GLU 58 - HG2 GLU 23 poor 6 26 - 24 - 1.8/2723=5, 2716/1.8=4...(10) HB2 PRO 73 - HG3 GLU 58 lone 2 99 - 2 - HB3 LYS 35 - HG3 GLU 58 lone 2 100 - 2 - HB3 PRO 92 - HG3 GLU 58 lone 1 95 - 1 - HG3 PRO 92 - HG3 GLU 58 lone 1 89 - 1 - HG3 GLU 65 - HG3 GLU 58 lone 0 83 - 1 - HB3 LYS 35 - HG2 GLU 23 lone 1 45 - 1 - HB2 PHE 88 - HG3 GLU 58 lone 0 81 - 0 - HB3 PRO 92 - HG2 GLU 23 lone 0 39 - 1 - HB2 PRO 73 - HG2 GLU 23 lone 0 44 - 0 - HG3 PRO 92 - HG2 GLU 23 lone 0 35 - 0 - HG3 GLU 65 - HG2 GLU 23 lone 0 32 - 0 - HB2 PHE 88 - HG2 GLU 23 lone 0 31 - 0 - Peak 2734 from cnoeabs.peaks (2.24, 2.31, 36.21 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 58 + HG3 GLU 58 OK 100 100 - 100 - 1.8=100 HG3 GLU 23 - HG2 GLU 23 OK 37 37 - 100 - 1.8=100 Peak 2735 from cnoeabs.peaks (2.31, 2.31, 36.21 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 58 + HG3 GLU 58 OK 100 100 - 100 HG2 GLU 23 - HG2 GLU 23 OK 30 30 - 100 Peak 2736 from cnoeabs.peaks (8.06, 4.43, 61.33 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HA THR 59 OK 100 100 - 100 - 3.0=100 Peak 2737 from cnoeabs.peaks (4.43, 4.43, 61.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + HA THR 59 OK 100 100 - 100 Peak 2738 from cnoeabs.peaks (4.32, 4.43, 61.33 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + HA THR 59 OK 100 100 - 100 - 3.0=100 Peak 2739 from cnoeabs.peaks (1.22, 4.43, 61.33 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + HA THR 59 OK 100 100 - 100 - 3.2=100 Peak 2740 from cnoeabs.peaks (8.06, 4.32, 70.98 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HB THR 59 OK 100 100 - 100 - 4.0=100 Peak 2741 from cnoeabs.peaks (4.43, 4.32, 70.98 ppm; 2.95 A): 1 out of 5 assignments used, quality = 0.97: * HA THR 59 + HB THR 59 OK 97 100 - 97 - 3.0=93, 2745/2.1=26...(7) HA MET 50 - HB THR 59 lone 3 99 - 3 - 2745/2.1=1 HA ASP 71 - HB THR 59 lone 1 85 - 1 - HA ASP 84 - HB THR 59 lone 1 65 - 1 - HA PRO 74 - HB THR 59 lone 0 63 - 1 - Peak 2742 from cnoeabs.peaks (4.32, 4.32, 70.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + HB THR 59 OK 100 100 - 100 Peak 2743 from cnoeabs.peaks (1.22, 4.32, 70.98 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + HB THR 59 OK 100 100 - 100 - 2.1=100 Peak 2744 from cnoeabs.peaks (8.06, 1.22, 20.87 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.93: * H THR 59 + QG2 THR 59 OK 93 100 - 93 - 4.0=67, 3.0/2745=28...(12) H SER 75 - QG2 THR 59 lone 7 100 - 7 - 264/4.2=1 H VAL 68 - QG2 THR 59 lone 7 78 - 8 - 4.0/6126=2, 4.0/6120=1 H ASN 13 - QG2 THR 59 lone 1 60 - 1 - Peak 2745 from cnoeabs.peaks (4.43, 1.22, 20.87 ppm; 3.16 A): 1 out of 5 assignments used, quality = 0.99: * HA THR 59 + QG2 THR 59 OK 99 100 - 99 - 3.2=97, 2741/2.1=32...(6) HA MET 50 - QG2 THR 59 lone 4 99 - 3 - 2741/2.1=1 HA ASP 71 - QG2 THR 59 lone 2 85 - 2 - HA PRO 74 - QG2 THR 59 lone 1 63 - 2 - 3.5/2744=1 HA ASP 84 - QG2 THR 59 lone 1 65 - 1 - Peak 2746 from cnoeabs.peaks (4.32, 1.22, 20.87 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + QG2 THR 59 OK 100 100 - 100 - 2.1=100 Peak 2747 from cnoeabs.peaks (1.22, 1.22, 20.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + QG2 THR 59 OK 100 100 - 100 Peak 2748 from cnoeabs.peaks (8.43, 3.77, 45.70 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + HA2 GLY 60 OK 100 100 - 100 - 3.0=100 Peak 2749 from cnoeabs.peaks (3.77, 3.77, 45.70 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 60 + HA2 GLY 60 OK 100 100 - 100 HA2 GLY 64 - HA2 GLY 64 OK 29 29 - 100 Peak 2750 from cnoeabs.peaks (4.18, 3.77, 45.70 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 60 + HA2 GLY 60 OK 100 100 - 100 - 1.8=100 Peak 2751 from cnoeabs.peaks (8.43, 4.18, 45.70 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + HA3 GLY 60 OK 100 100 - 100 - 3.0=100 Peak 2752 from cnoeabs.peaks (3.77, 4.18, 45.70 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 60 + HA3 GLY 60 OK 100 100 - 100 - 1.8=100 Peak 2753 from cnoeabs.peaks (4.18, 4.18, 45.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 60 + HA3 GLY 60 OK 100 100 - 100 HA3 GLY 47 + HA3 GLY 47 OK 100 100 - 100 Peak 2754 from cnoeabs.peaks (7.76, 4.35, 55.60 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HA LYS 61 OK 100 100 - 100 - 2.9=100 Peak 2755 from cnoeabs.peaks (4.35, 4.35, 55.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 61 + HA LYS 61 OK 100 100 - 100 HA LEU 62 + HA LEU 62 OK 58 58 - 100 Peak 2756 from cnoeabs.peaks (1.84, 4.35, 55.60 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2757 from cnoeabs.peaks (1.66, 4.35, 55.60 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2758 from cnoeabs.peaks (1.42, 4.35, 55.60 ppm; 3.01 A): 3 out of 20 assignments used, quality = 0.95: * HG2 LYS 61 + HA LYS 61 OK 73 100 - 73 - 3.9=46, 867/2.9=8...(21) HG3 LYS 61 + HA LYS 61 OK 73 100 - 73 - 3.9=46, 867/2.9=8...(21) HG2 LYS 61 + HA LEU 62 OK 31 64 - 49 - ~4246=6, ~4247=6, 2785=6...(20) HG3 LYS 61 - HA LEU 62 OK 31 64 - 49 - ~4246=6, ~4247=6...(20) HG2 LYS 63 - HA LYS 61 OK 19 95 - 20 - 4.9/282=3, 2795=2...(5) HG3 LYS 63 - HA LYS 61 OK 19 95 - 20 - 4.9/282=3, 2795=2...(5) HG3 LYS 63 - HA LEU 62 OK 15 56 - 27 - 4.9/282=7, 2795=3...(10) HG2 LYS 63 - HA LEU 62 OK 15 56 - 27 - 4.9/282=7, 2795=3...(10) HG13 ILE 51 - HA LYS 61 lone 6 95 - 6 - 1.8/7196=2, ~5945=2 HD3 LYS 86 - HA LYS 61 lone 6 100 - 6 - ~5942=1, ~5878=1 HG13 ILE 51 - HA LEU 62 lone 5 56 - 10 - 1.8/7196=2, 3612/3.6=1...(4) HG3 LYS 94 - HA LYS 61 lone 5 81 - 6 - HG3 LYS 94 - HA LEU 62 lone 4 44 - 9 - 885/3.6=1 HD3 LYS 86 - HA LEU 62 lone 4 64 - 6 - 3612/3.6=1, ~5701=1 HG3 LYS 45 - HA LYS 61 lone 2 87 - 3 - QB ALA 78 - HA LYS 61 lone 2 78 - 3 - HG2 LYS 41 - HA LYS 61 lone 2 76 - 3 - HG3 LYS 45 - HA LEU 62 lone 1 49 - 3 - QB ALA 78 - HA LEU 62 lone 1 43 - 2 - HG2 LYS 41 - HA LEU 62 lone 1 41 - 1 - Peak 2759 from cnoeabs.peaks (1.42, 4.35, 55.60 ppm; 3.01 A): 3 out of 20 assignments used, quality = 0.95: HG2 LYS 61 + HA LYS 61 OK 73 100 - 73 - 3.9=46, 867/2.9=8...(21) * HG3 LYS 61 + HA LYS 61 OK 73 100 - 73 - 3.9=46, 867/2.9=8...(21) HG3 LYS 61 + HA LEU 62 OK 31 64 - 49 - ~4246=6, ~4247=6...(20) HG2 LYS 61 - HA LEU 62 OK 31 64 - 49 - ~4246=6, ~4247=6, 2785=6...(20) HG2 LYS 63 - HA LYS 61 OK 19 96 - 20 - 4.9/282=3, 2795=2...(5) HG3 LYS 63 - HA LYS 61 OK 19 96 - 20 - 4.9/282=3, 2795=2...(5) HG3 LYS 63 - HA LEU 62 OK 15 57 - 27 - 4.9/282=7, 2795=3...(10) HG2 LYS 63 - HA LEU 62 OK 15 57 - 27 - 4.9/282=7, 2795=3...(10) HG13 ILE 51 - HA LYS 61 lone 6 96 - 6 - 1.8/7196=2, ~5945=2 HD3 LYS 86 - HA LYS 61 lone 6 100 - 6 - ~5942=1, ~5878=1 HG13 ILE 51 - HA LEU 62 lone 6 57 - 10 - 1.8/7196=2, 3612/3.6=1...(4) HG3 LYS 94 - HA LYS 61 lone 5 83 - 6 - HG3 LYS 94 - HA LEU 62 lone 4 46 - 9 - 885/3.6=1 HD3 LYS 86 - HA LEU 62 lone 4 64 - 6 - 3612/3.6=1, ~5701=1 HG3 LYS 45 - HA LYS 61 lone 2 85 - 3 - QB ALA 78 - HA LYS 61 lone 2 76 - 3 - HG2 LYS 41 - HA LYS 61 lone 2 73 - 2 - HG3 LYS 45 - HA LEU 62 lone 1 47 - 3 - QB ALA 78 - HA LEU 62 lone 1 41 - 2 - HG2 LYS 41 - HA LEU 62 lone 1 39 - 1 - Peak 2760 from cnoeabs.peaks (1.68, 4.35, 55.60 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HA LYS 61 OK 76 76 - 100 - 3.0=100 Reference assignment not found: HD2 LYS 61 - HA LYS 61 Peak 2761 from cnoeabs.peaks (1.68, 4.35, 55.60 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HA LYS 61 OK 76 76 - 100 - 3.0=100 Reference assignment not found: HD3 LYS 61 - HA LYS 61 Peak 2764 from cnoeabs.peaks (7.76, 1.84, 33.46 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.6=100 Peak 2765 from cnoeabs.peaks (4.35, 1.84, 33.46 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2766 from cnoeabs.peaks (1.84, 1.84, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 Peak 2767 from cnoeabs.peaks (1.66, 1.84, 33.46 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 2768 from cnoeabs.peaks (1.42, 1.84, 33.46 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2769 from cnoeabs.peaks (1.42, 1.84, 33.46 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2770 from cnoeabs.peaks (1.68, 1.84, 33.46 ppm; 2.64 A): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HB2 LYS 61 OK 76 76 - 100 - 1.8=100 Reference assignment not found: HD2 LYS 61 - HB2 LYS 61 Peak 2771 from cnoeabs.peaks (1.68, 1.84, 33.46 ppm; 2.64 A): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HB2 LYS 61 OK 76 76 - 100 - 1.8=100 Reference assignment not found: HD3 LYS 61 - HB2 LYS 61 Peak 2772 from cnoeabs.peaks (3.03, 1.84, 33.46 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.98: * HE2 LYS 61 + HB2 LYS 61 OK 95 100 - 95 - 5.0=76, 2782/1.8=13...(49) HE3 LYS 61 + HB2 LYS 61 OK 56 60 - 94 - 5.0=76, ~2782=10...(44) HE3 LYS 44 - HB2 LYS 61 OK 35 93 - 38 - 2782/1.8=5, ~2782=4...(14) HE2 LYS 44 - HB2 LYS 61 OK 34 92 - 38 - 2782/1.8=5, ~2782=4...(14) HE2 LYS 35 - HB2 LYS 61 OK 23 96 - 24 - 2782/1.8=3, ~2782=2...(9) HE3 LYS 35 - HB2 LYS 61 OK 23 96 - 24 - 2782/1.8=3, ~2782=2...(9) HB2 SER 75 - HB2 LYS 61 OK 13 100 - 13 - 6361/3.0=3, 6361/3.0=3...(5) HE2 LYS 41 - HB2 LYS 61 lone 6 87 - 7 - ~2130=1 Peak 2773 from cnoeabs.peaks (3.00, 1.84, 33.46 ppm; 4.43 A): 2 out of 12 assignments used, quality = 0.96: * HE3 LYS 61 + HB2 LYS 61 OK 92 100 - 92 - 5.0=69, 2783/1.8=10...(44) HE2 LYS 61 + HB2 LYS 61 OK 55 60 - 92 - 5.0=69, ~2783=7...(49) HE2 LYS 44 - HB2 LYS 61 OK 31 93 - 33 - ~2782=3, 2783/1.8=3...(12) HE3 LYS 44 - HB2 LYS 61 OK 30 92 - 33 - ~2782=3, 2783/1.8=3...(11) HE3 LYS 63 - HB2 LYS 61 OK 24 73 - 33 - 2783/1.8=3, ~2783=2...(10) HE2 LYS 63 - HB2 LYS 61 OK 23 71 - 33 - 2783/1.8=3, ~2783=2...(10) HE2 LYS 35 - HB2 LYS 61 OK 18 89 - 20 - ~2782=2, 2783/1.8=2...(7) HE3 LYS 35 - HB2 LYS 61 OK 18 89 - 20 - ~2782=2, 2783/1.8=2...(7) HE2 LYS 45 - HB2 LYS 61 OK 17 98 - 18 - 2783/1.8=2, ~2783=1, 2834/3.6=1 HE3 LYS 45 - HB2 LYS 61 OK 17 98 - 18 - 2783/1.8=2, ~2783=1, 2834/3.6=1 HE2 LYS 94 - HB2 LYS 61 OK 11 76 - 15 - 2783/1.8=1 HE3 LYS 94 - HB2 LYS 61 poor 10 65 - 15 - 2783/1.8=1 Peak 2774 from cnoeabs.peaks (7.76, 1.66, 33.46 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.6=100 Peak 2775 from cnoeabs.peaks (4.35, 1.66, 33.46 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2776 from cnoeabs.peaks (1.84, 1.66, 33.46 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 2777 from cnoeabs.peaks (1.66, 1.66, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 Peak 2778 from cnoeabs.peaks (1.42, 1.66, 33.46 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2779 from cnoeabs.peaks (1.42, 1.66, 33.46 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 HG2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2780 from cnoeabs.peaks (1.68, 1.66, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HB3 LYS 61 OK 76 76 - 100 Reference assignment not found: HD2 LYS 61 - HB3 LYS 61 Peak 2781 from cnoeabs.peaks (1.68, 1.66, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: HB3 LYS 61 + HB3 LYS 61 OK 76 76 - 100 Reference assignment not found: HD3 LYS 61 - HB3 LYS 61 Peak 2782 from cnoeabs.peaks (3.03, 1.66, 33.46 ppm; 4.56 A): 2 out of 8 assignments used, quality = 0.98: * HE2 LYS 61 + HB3 LYS 61 OK 95 100 - 95 - 5.0=75, 2772/1.8=13...(56) HE3 LYS 61 + HB3 LYS 61 OK 56 60 - 93 - 5.0=75, ~2772=10...(48) HE3 LYS 44 - HB3 LYS 61 OK 35 93 - 38 - 2772/1.8=5, ~2772=3...(14) HE2 LYS 44 - HB3 LYS 61 OK 34 92 - 38 - 2772/1.8=5, ~2772=4...(13) HE2 LYS 35 - HB3 LYS 61 OK 22 96 - 23 - 2772/1.8=3, ~2772=2...(7) HE3 LYS 35 - HB3 LYS 61 OK 22 96 - 23 - 2772/1.8=3, ~2772=2...(7) HB2 SER 75 - HB3 LYS 61 OK 11 100 - 11 - 6361/3.0=3, 6361/3.0=3...(4) HE2 LYS 41 - HB3 LYS 61 lone 6 87 - 7 - ~2130=1 Peak 2783 from cnoeabs.peaks (3.00, 1.66, 33.46 ppm; 4.51 A): 2 out of 12 assignments used, quality = 0.97: * HE3 LYS 61 + HB3 LYS 61 OK 93 100 - 93 - 5.0=72, 2773/1.8=11...(48) HE2 LYS 61 + HB3 LYS 61 OK 56 60 - 93 - 5.0=72, ~2773=8...(56) HE2 LYS 44 - HB3 LYS 61 OK 32 93 - 35 - 2773/1.8=4, ~2772=3...(11) HE3 LYS 44 - HB3 LYS 61 OK 31 92 - 35 - 2773/1.8=3, ~2772=3...(12) HE3 LYS 63 - HB3 LYS 61 OK 26 73 - 35 - 2773/1.8=3, ~2773=2...(10) HE2 LYS 63 - HB3 LYS 61 OK 25 71 - 35 - 2773/1.8=3, ~2773=2...(9) HE2 LYS 35 - HB3 LYS 61 OK 19 89 - 21 - ~2772=2, 2773/1.8=2...(6) HE3 LYS 35 - HB3 LYS 61 OK 19 89 - 21 - ~2772=2, 2773/1.8=2...(6) HE2 LYS 45 - HB3 LYS 61 OK 18 98 - 18 - 2773/1.8=2, ~2773=2, 2834/3.6=1 HE3 LYS 45 - HB3 LYS 61 OK 18 98 - 18 - 2773/1.8=2, ~2773=2, 2834/3.6=1 HE2 LYS 94 - HB3 LYS 61 OK 13 76 - 16 - 2773/1.8=1 HE3 LYS 94 - HB3 LYS 61 OK 11 65 - 17 - 2773/1.8=1 Peak 2784 from cnoeabs.peaks (7.76, 1.42, 24.91 ppm; 3.45 A): 2 out of 12 assignments used, quality = 0.96: H LYS 61 + HG3 LYS 61 OK 79 100 - 79 - 4.7=40, 865/3.0=14...(20) * H LYS 61 + HG2 LYS 61 OK 79 100 - 79 - 4.7=40, 865/3.0=14...(19) H LYS 61 - HG3 LYS 63 OK 18 85 - 22 - 868=4, 868/1.8=3...(7) H LYS 61 - HG2 LYS 63 OK 18 85 - 22 - 868=4, 868/1.8=3...(7) H ASN 91 - HG3 LYS 61 lone 8 99 - 8 - H ASN 91 - HG2 LYS 61 lone 8 99 - 8 - H LYS 61 - HG3 LYS 45 lone 4 76 - 5 - H LYS 61 - HG2 LYS 41 lone 4 60 - 6 - 5941/3.8=1, 5944/3.0=1 H ASN 91 - HG3 LYS 63 lone 4 82 - 4 - H ASN 91 - HG2 LYS 63 lone 4 82 - 4 - H ASN 91 - HG3 LYS 45 lone 1 74 - 1 - H ASN 91 - HG2 LYS 41 lone 1 57 - 1 - Peak 2785 from cnoeabs.peaks (4.35, 1.42, 24.91 ppm; 2.96 A): 4 out of 48 assignments used, quality = 0.98: * HA LYS 61 + HG2 LYS 61 OK 72 100 - 72 - 3.9=44, 2758/1.8=8...(21) HA LYS 61 + HG3 LYS 61 OK 72 100 - 72 - 3.9=44, 2758/1.8=8...(21) HA LEU 62 + HG2 LYS 61 OK 46 97 - 48 - ~4246=6, ~4247=6...(20) HA LEU 62 + HG3 LYS 61 OK 46 97 - 48 - ~4246=6, ~4247=6...(20) HA LEU 62 - HG2 LYS 63 OK 20 78 - 26 - 282/4.9=7, 3.0/276=2...(10) HA LEU 62 - HG3 LYS 63 OK 20 78 - 26 - 282/4.9=7, 3.0/276=2...(10) HA LYS 61 - HG3 LYS 63 OK 17 85 - 20 - 2759=3, 282/4.9=3...(5) HA LYS 61 - HG2 LYS 63 OK 17 85 - 20 - 2759=3, 282/4.9=3...(5) HB THR 59 - HG3 LYS 61 OK 15 60 - 25 - 5911=5, 5911/1.8=4...(10) HB THR 59 - HG2 LYS 61 OK 15 60 - 25 - 5911=5, 5911/1.8=4...(10) HA THR 42 - HG2 LYS 41 OK 10 30 - 34 - 3.0/178=7, ~179=6...(15) HB THR 59 - HG3 LYS 63 lone 4 45 - 8 - 5911=1, 5911/1.8=1, 2.1/5921=1 HB THR 59 - HG2 LYS 63 lone 4 45 - 8 - 5911=1, 5911/1.8=1, 2.1/5921=1 HA TRP 82 - HG2 LYS 41 lone 3 55 - 6 - 3.0/6569=1, 3.0/6576=1 HA PHE 34 - HG2 LYS 63 lone 3 64 - 5 - HA PHE 34 - HG3 LYS 63 lone 3 64 - 5 - HA TRP 82 - HG3 LYS 61 lone 2 97 - 2 - HA LYS 61 - HG3 LYS 45 lone 2 76 - 3 - HA TRP 82 - HG2 LYS 61 lone 2 97 - 2 - HA LEU 62 - HG3 LYS 45 lone 2 70 - 3 - HA TRP 82 - HG3 LYS 45 lone 2 71 - 2 - HA ALA 98 - HG3 LYS 63 lone 2 66 - 3 - HA ALA 98 - HG2 LYS 63 lone 2 66 - 3 - HA LYS 61 - HG2 LYS 41 lone 2 60 - 3 - HA PHE 34 - HG2 LYS 61 lone 1 83 - 2 - HA PHE 34 - HG3 LYS 61 lone 1 83 - 2 - HA THR 42 - HG3 LYS 45 lone 1 41 - 3 - 3.0/178=1, ~179=1 HA THR 42 - HG3 LYS 61 lone 1 63 - 2 - HA THR 42 - HG2 LYS 61 lone 1 63 - 2 - HB THR 59 - HG2 LYS 41 lone 1 29 - 4 - HA ALA 98 - HG3 LYS 61 lone 1 85 - 1 - HA ALA 98 - HG2 LYS 41 lone 1 44 - 2 - HA ALA 98 - HG2 LYS 61 lone 1 85 - 1 - HA TRP 82 - HG3 LYS 63 lone 1 80 - 1 - HA TRP 82 - HG2 LYS 63 lone 1 80 - 1 - HA LEU 62 - HG2 LYS 41 lone 1 54 - 1 - HB THR 59 - HG3 LYS 45 lone 1 39 - 1 - HA SER 11 - HG3 LYS 61 lone 0 99 - 0 - HA SER 11 - HG2 LYS 61 lone 0 99 - 0 - HA SER 11 - HG3 LYS 63 lone 0 83 - 1 - HA SER 11 - HG2 LYS 63 lone 0 83 - 1 - HA THR 42 - HG3 LYS 63 lone 0 47 - 1 - HA THR 42 - HG2 LYS 63 lone 0 47 - 1 - HA PHE 34 - HG2 LYS 41 lone 0 43 - 1 - HA PHE 34 - HG3 LYS 45 lone 0 56 - 1 - HA SER 11 - HG3 LYS 45 lone 0 74 - 0 - HA ALA 98 - HG3 LYS 45 lone 0 58 - 0 - HA SER 11 - HG2 LYS 41 lone 0 58 - 0 - Peak 2786 from cnoeabs.peaks (1.84, 1.42, 24.91 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2787 from cnoeabs.peaks (1.66, 1.42, 24.91 ppm; 2.49 A): 8 out of 108 assignments used, quality = 1.00: HB3 LYS 61 + HG3 LYS 61 OK 69 100 - 69 - 3.0=59, 4247/5.0=5...(10) * HB3 LYS 61 + HG2 LYS 61 OK 69 100 - 69 - 3.0=59, 4247/5.0=5...(10) HD3 LYS 61 + HG2 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(15) HD2 LYS 61 + HG2 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(15) HD3 LYS 61 + HG3 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(13) HD2 LYS 61 + HG3 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(13) HD3 LYS 63 + HG2 LYS 63 OK 46 58 - 80 - 3.0=60, 1.8/2940=9...(16) HD3 LYS 63 + HG3 LYS 63 OK 46 58 - 80 - 3.0=60, 1.8/2940=9...(16) HB2 MET 50 - HG2 LYS 41 OK 20 57 - 35 - 5662/3.0=6, 4.1/5672=5...(15) HD3 LYS 94 - HG2 LYS 63 OK 14 66 - 21 - HD3 LYS 94 - HG3 LYS 63 OK 14 66 - 21 - HD2 LYS 94 - HG3 LYS 63 OK 14 66 - 21 - HD2 LYS 94 - HG2 LYS 63 OK 14 66 - 21 - HD3 LYS 63 - HG2 LYS 61 poor 9 76 - 12 - 1.8/2940=2 HD3 LYS 63 - HG3 LYS 61 poor 9 76 - 12 - 1.8/2940=2 HB3 LYS 61 - HG2 LYS 63 poor 9 85 - 10 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 9 85 - 10 - 4.4/4249=1 HD2 LYS 44 - HG2 LYS 61 poor 8 76 - 11 - HD2 LYS 44 - HG3 LYS 61 poor 8 76 - 11 - HD3 LYS 44 - HG2 LYS 61 poor 8 73 - 11 - HD3 LYS 44 - HG3 LYS 61 poor 8 73 - 11 - HD3 LYS 61 - HG3 LYS 63 poor 7 58 - 13 - HD3 LYS 61 - HG2 LYS 63 poor 7 58 - 13 - HD2 LYS 61 - HG3 LYS 63 poor 7 58 - 13 - HD2 LYS 61 - HG2 LYS 63 poor 7 58 - 13 - HD2 LYS 94 - HG2 LYS 61 lone 6 85 - 7 - HD3 LYS 94 - HG2 LYS 61 lone 6 85 - 7 - HD2 LYS 94 - HG3 LYS 61 lone 6 85 - 7 - HD3 LYS 94 - HG3 LYS 61 lone 6 85 - 7 - HB ILE 40 - HG2 LYS 41 poor 5 37 - 12 - 4.5/770=3, ~5432=2...(4) HD2 LYS 94 - HG3 LYS 45 lone 4 58 - 7 - HD3 LYS 94 - HG3 LYS 45 lone 4 58 - 7 - HG12 ILE 40 - HG2 LYS 41 lone 4 46 - 8 - 4159/4.9=3, ~5462=1, ~5439=1 HD2 LYS 44 - HG3 LYS 45 lone 4 51 - 7 - HD3 LYS 44 - HG3 LYS 45 lone 3 49 - 7 - HD3 LYS 61 - HG3 LYS 45 lone 3 51 - 6 - HD2 LYS 61 - HG3 LYS 45 lone 3 51 - 6 - QB ALA 79 - HG2 LYS 41 lone 3 55 - 5 - 2.9/361=1 HD3 LYS 35 - HG3 LYS 61 lone 3 65 - 4 - HD3 LYS 35 - HG2 LYS 61 lone 3 65 - 4 - QB ALA 79 - HG2 LYS 61 lone 3 97 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 97 - 3 - HG3 GLN 19 - HG2 LYS 63 lone 2 78 - 3 - HG3 GLN 19 - HG3 LYS 63 lone 2 78 - 3 - HB2 MET 50 - HG3 LYS 61 lone 2 99 - 2 - HB2 MET 50 - HG2 LYS 61 lone 2 99 - 2 - HD2 LYS 44 - HG3 LYS 63 lone 2 58 - 3 - HD2 LYS 44 - HG2 LYS 63 lone 2 58 - 3 - HB3 LYS 61 - HG3 LYS 45 lone 2 76 - 2 - HD3 LYS 44 - HG2 LYS 63 lone 2 56 - 3 - HD3 LYS 44 - HG3 LYS 63 lone 2 56 - 3 - QB ALA 79 - HG2 LYS 63 lone 2 80 - 2 - QB ALA 79 - HG3 LYS 63 lone 2 80 - 2 - HD2 LYS 61 - HG2 LYS 41 lone 1 38 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 1 38 - 4 - HG3 ARG 57 - HG2 LYS 63 lone 1 60 - 2 - HG3 ARG 57 - HG3 LYS 63 lone 1 60 - 2 - HD2 LYS 94 - HG2 LYS 41 lone 1 44 - 3 - HD3 LYS 94 - HG2 LYS 41 lone 1 44 - 3 - HG2 ARG 57 - HG3 LYS 63 lone 1 56 - 2 - HG2 ARG 57 - HG2 LYS 63 lone 1 56 - 2 - QB ALA 79 - HG3 LYS 45 lone 1 71 - 2 - HB2 MET 50 - HG3 LYS 45 lone 1 73 - 1 - HG12 ILE 27 - HG2 LYS 41 lone 1 60 - 2 - HB3 LYS 61 - HG2 LYS 41 lone 1 60 - 1 - HG12 ILE 40 - HG2 LYS 61 lone 1 87 - 1 - HG12 ILE 40 - HG3 LYS 61 lone 1 87 - 1 - HD3 LYS 63 - HG3 LYS 45 lone 1 51 - 2 - HB2 MET 50 - HG2 LYS 63 lone 1 81 - 1 - HB2 MET 50 - HG3 LYS 63 lone 1 81 - 1 - HD2 LYS 44 - HG2 LYS 41 lone 1 38 - 2 - HB ILE 40 - HG2 LYS 61 lone 1 73 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 73 - 1 - HD3 LYS 44 - HG2 LYS 41 lone 1 37 - 2 - HB ILE 40 - HG3 LYS 45 lone 1 49 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 27 - HG2 LYS 61 lone 1 100 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 1 85 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 1 85 - 1 - HG12 ILE 40 - HG3 LYS 63 lone 1 68 - 1 - HG12 ILE 40 - HG2 LYS 63 lone 1 68 - 1 - HD3 LYS 35 - HG2 LYS 63 lone 1 49 - 1 - HD3 LYS 35 - HG3 LYS 63 lone 1 49 - 1 - HB VAL 18 - HG2 LYS 41 lone 1 41 - 1 - HB VAL 18 - HG3 LYS 61 lone 1 81 - 1 - HB VAL 18 - HG2 LYS 63 lone 1 62 - 1 - HB VAL 18 - HG3 LYS 63 lone 1 62 - 1 - HB VAL 18 - HG2 LYS 61 lone 0 81 - 1 - HG12 ILE 40 - HG3 LYS 45 lone 1 60 - 1 - HG3 GLN 19 - HG3 LYS 61 lone 0 97 - 0 - HG3 GLN 19 - HG2 LYS 61 lone 0 97 - 0 - HB ILE 40 - HG3 LYS 63 lone 0 56 - 1 - HB ILE 40 - HG2 LYS 63 lone 0 56 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 0 78 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 0 78 - 1 - HG3 GLN 19 - HG3 LYS 45 lone 0 70 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 76 - 0 - HG2 ARG 57 - HG2 LYS 61 lone 0 73 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 0 73 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 53 - 0 - HB VAL 18 - HG3 LYS 45 lone 0 55 - 0 - HG3 GLN 19 - HG2 LYS 41 lone 0 54 - 0 - HG2 ARG 57 - HG3 LYS 45 lone 0 49 - 0 - HD3 LYS 35 - HG3 LYS 45 lone 0 43 - 0 - HD3 LYS 63 - HG2 LYS 41 lone 0 38 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 32 - 0 - HG3 ARG 57 - HG2 LYS 41 lone 0 40 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 37 - 0 - Peak 2788 from cnoeabs.peaks (1.42, 1.42, 24.91 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 63 + HG2 LYS 63 OK 76 76 - 100 HG3 LYS 63 + HG3 LYS 63 OK 76 76 - 100 HG3 LYS 45 + HG3 LYS 45 OK 60 60 - 100 HG2 LYS 41 - HG2 LYS 41 OK 38 38 - 100 Peak 2789 from cnoeabs.peaks (1.42, 1.42, 24.91 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 63 + HG2 LYS 63 OK 77 77 - 100 HG3 LYS 63 + HG3 LYS 63 OK 77 77 - 100 HG3 LYS 45 + HG3 LYS 45 OK 58 58 - 100 HG2 LYS 41 - HG2 LYS 41 OK 37 37 - 100 Reference assignment not found: HG3 LYS 61 - HG2 LYS 61 Peak 2790 from cnoeabs.peaks (1.68, 1.42, 24.91 ppm; 2.54 A): 9 out of 108 assignments used, quality = 1.00: HD3 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(18) * HD2 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(18) HD3 LYS 61 + HG3 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(19) HD2 LYS 61 + HG3 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(19) HD3 LYS 63 + HG3 LYS 63 OK 71 85 - 83 - 3.0=64, 1.8/2941=9...(17) HD3 LYS 63 + HG2 LYS 63 OK 71 85 - 83 - 3.0=64, 1.8/2941=9...(17) HB3 LYS 61 + HG2 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HB3 LYS 61 + HG3 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HD3 LYS 45 + HG3 LYS 45 OK 45 56 - 80 - 2.9=66, 2284/1.8=6...(19) HD2 LYS 45 - HG3 LYS 45 OK 43 53 - 81 - 2.9=66, 2284/1.8=6...(21) HD2 LYS 94 - HG2 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG3 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG3 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG2 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 63 - HG2 LYS 61 OK 14 100 - 14 - 1.8/2941=2 HD3 LYS 63 - HG3 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 61 - HG3 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG3 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD2 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HB ILE 40 - HG2 LYS 41 poor 9 60 - 15 - 4157/4.9=4, ~5432=2...(5) HD2 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD2 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD2 LYS 44 - HG3 LYS 45 lone 7 76 - 9 - HD3 LYS 44 - HG3 LYS 45 lone 7 76 - 9 - HB3 LYS 61 - HG2 LYS 63 poor 6 58 - 11 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 6 58 - 11 - 4.4/4249=1 HD3 LYS 61 - HG3 LYS 45 lone 6 76 - 8 - HD2 LYS 61 - HG3 LYS 45 lone 6 76 - 8 - HD3 LYS 94 - HG3 LYS 45 lone 6 76 - 8 - HD2 LYS 94 - HG3 LYS 45 lone 6 76 - 8 - HD3 LYS 45 - HG2 LYS 63 lone 5 64 - 8 - HD3 LYS 45 - HG3 LYS 63 lone 5 64 - 8 - HD3 LYS 45 - HG2 LYS 61 lone 5 83 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 83 - 6 - HD2 LYS 45 - HG3 LYS 63 lone 5 60 - 9 - HD2 LYS 45 - HG2 LYS 63 lone 5 60 - 9 - HD2 LYS 45 - HG2 LYS 61 lone 5 78 - 6 - HD2 LYS 45 - HG3 LYS 61 lone 5 78 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 100 - 5 - HD2 LYS 77 - HG3 LYS 63 lone 4 62 - 7 - HD2 LYS 77 - HG2 LYS 63 lone 4 62 - 7 - HD2 LYS 44 - HG3 LYS 63 lone 3 85 - 4 - HD2 LYS 44 - HG2 LYS 63 lone 3 85 - 4 - HD3 LYS 44 - HG3 LYS 63 lone 3 85 - 4 - HD3 LYS 44 - HG2 LYS 63 lone 3 85 - 4 - QB ALA 79 - HG2 LYS 41 lone 3 52 - 5 - 2.9/361=1 QB ALA 79 - HG2 LYS 61 lone 3 95 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 94 - 3 - HD2 LYS 61 - HG2 LYS 41 lone 3 60 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 3 60 - 4 - HG3 ARG 57 - HG3 LYS 63 lone 2 85 - 3 - HG3 ARG 57 - HG2 LYS 63 lone 2 85 - 3 - HG2 ARG 57 - HG3 LYS 63 lone 2 85 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 2 85 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 2 59 - 3 - HD3 LYS 94 - HG2 LYS 41 lone 2 59 - 3 - QB ALA 79 - HG3 LYS 63 lone 2 76 - 2 - QB ALA 79 - HG2 LYS 63 lone 2 76 - 2 - HD3 LYS 63 - HG3 LYS 45 lone 2 76 - 2 - HD3 LYS 45 - HG2 LYS 41 lone 2 43 - 4 - HD2 LYS 45 - HG2 LYS 41 lone 2 40 - 4 - HD3 LYS 35 - HG2 LYS 63 lone 1 84 - 2 - HD3 LYS 35 - HG3 LYS 63 lone 1 84 - 2 - HB ILE 40 - HG3 LYS 45 lone 1 76 - 2 - HB3 LYS 61 - HG3 LYS 45 lone 1 51 - 2 - QB ALA 79 - HG3 LYS 45 lone 1 68 - 2 - HD2 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HD3 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 81 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 81 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 85 - 1 - HB ILE 40 - HG3 LYS 63 lone 1 85 - 1 - HG12 ILE 39 - HG2 LYS 41 lone 1 54 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HG3 LYS 45 lone 1 55 - 1 - HG12 ILE 27 - HG2 LYS 41 lone 1 38 - 2 - HB3 LYS 61 - HG2 LYS 41 lone 1 38 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 0 76 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 76 - 1 - HD3 LYS 35 - HG3 LYS 45 lone 0 76 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 0 58 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 0 58 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 0 70 - 1 - HD2 LYS 77 - HG2 LYS 41 lone 0 41 - 1 - HG12 ILE 39 - HG3 LYS 63 lone 0 78 - 0 - HG12 ILE 39 - HG2 LYS 63 lone 0 78 - 0 - HG12 ILE 27 - HG2 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HG3 LYS 61 lone 0 76 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 59 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 60 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 51 - 1 - HG3 ARG 57 - HG2 LYS 41 lone 0 60 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 60 - 0 - Peak 2791 from cnoeabs.peaks (1.68, 1.42, 24.91 ppm; 2.54 A): 9 out of 108 assignments used, quality = 1.00: * HD3 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(18) HD2 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(18) HD3 LYS 61 + HG3 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(19) HD2 LYS 61 + HG3 LYS 61 OK 78 100 - 79 - 3.0=63, 2951/1.8=2...(19) HD3 LYS 63 + HG3 LYS 63 OK 71 85 - 83 - 3.0=64, 1.8/2941=9...(17) HD3 LYS 63 + HG2 LYS 63 OK 71 85 - 83 - 3.0=64, 1.8/2941=9...(17) HB3 LYS 61 + HG2 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HB3 LYS 61 + HG3 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HD3 LYS 45 + HG3 LYS 45 OK 45 56 - 80 - 2.9=66, 2284/1.8=6...(19) HD2 LYS 45 - HG3 LYS 45 OK 43 53 - 81 - 2.9=66, 2284/1.8=6...(21) HD2 LYS 94 - HG2 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG3 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG3 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG2 LYS 63 OK 20 84 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 63 - HG2 LYS 61 OK 14 100 - 14 - 1.8/2941=2 HD3 LYS 63 - HG3 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 61 - HG3 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG3 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 13 85 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD2 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HB ILE 40 - HG2 LYS 41 poor 9 60 - 15 - 4157/4.9=4, ~5432=2...(5) HD2 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD2 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD2 LYS 44 - HG3 LYS 45 lone 7 76 - 9 - HD3 LYS 44 - HG3 LYS 45 lone 7 76 - 9 - HB3 LYS 61 - HG2 LYS 63 poor 6 58 - 11 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 6 58 - 11 - 4.4/4249=1 HD3 LYS 61 - HG3 LYS 45 lone 6 76 - 8 - HD2 LYS 61 - HG3 LYS 45 lone 6 76 - 8 - HD3 LYS 94 - HG3 LYS 45 lone 6 76 - 8 - HD2 LYS 94 - HG3 LYS 45 lone 6 76 - 8 - HD3 LYS 45 - HG2 LYS 63 lone 5 64 - 8 - HD3 LYS 45 - HG3 LYS 63 lone 5 64 - 8 - HD3 LYS 45 - HG2 LYS 61 lone 5 83 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 83 - 6 - HD2 LYS 45 - HG3 LYS 63 lone 5 60 - 9 - HD2 LYS 45 - HG2 LYS 63 lone 5 60 - 9 - HD2 LYS 45 - HG2 LYS 61 lone 5 78 - 6 - HD2 LYS 45 - HG3 LYS 61 lone 5 78 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 100 - 5 - HD2 LYS 77 - HG3 LYS 63 lone 4 62 - 7 - HD2 LYS 77 - HG2 LYS 63 lone 4 62 - 7 - HD2 LYS 44 - HG3 LYS 63 lone 3 85 - 4 - HD2 LYS 44 - HG2 LYS 63 lone 3 85 - 4 - HD3 LYS 44 - HG3 LYS 63 lone 3 85 - 4 - HD3 LYS 44 - HG2 LYS 63 lone 3 85 - 4 - QB ALA 79 - HG2 LYS 41 lone 3 52 - 5 - 2.9/361=1 QB ALA 79 - HG2 LYS 61 lone 3 95 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 94 - 3 - HD2 LYS 61 - HG2 LYS 41 lone 3 60 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 3 60 - 4 - HG3 ARG 57 - HG3 LYS 63 lone 2 85 - 3 - HG3 ARG 57 - HG2 LYS 63 lone 2 85 - 3 - HG2 ARG 57 - HG3 LYS 63 lone 2 85 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 2 85 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 2 59 - 3 - HD3 LYS 94 - HG2 LYS 41 lone 2 59 - 3 - QB ALA 79 - HG3 LYS 63 lone 2 76 - 2 - QB ALA 79 - HG2 LYS 63 lone 2 76 - 2 - HD3 LYS 63 - HG3 LYS 45 lone 2 76 - 2 - HD3 LYS 45 - HG2 LYS 41 lone 2 43 - 4 - HD2 LYS 45 - HG2 LYS 41 lone 2 40 - 4 - HD3 LYS 35 - HG2 LYS 63 lone 1 84 - 2 - HD3 LYS 35 - HG3 LYS 63 lone 1 84 - 2 - HB ILE 40 - HG3 LYS 45 lone 1 76 - 2 - HB3 LYS 61 - HG3 LYS 45 lone 1 51 - 2 - QB ALA 79 - HG3 LYS 45 lone 1 68 - 2 - HD2 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HD3 LYS 44 - HG2 LYS 41 lone 1 60 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 81 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 81 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 85 - 1 - HB ILE 40 - HG3 LYS 63 lone 1 85 - 1 - HG12 ILE 39 - HG2 LYS 41 lone 1 54 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HG3 LYS 45 lone 1 55 - 1 - HG12 ILE 27 - HG2 LYS 41 lone 1 38 - 2 - HB3 LYS 61 - HG2 LYS 41 lone 1 38 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 0 76 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 76 - 1 - HD3 LYS 35 - HG3 LYS 45 lone 0 76 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 0 58 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 0 58 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 0 70 - 1 - HD2 LYS 77 - HG2 LYS 41 lone 0 41 - 1 - HG12 ILE 39 - HG3 LYS 63 lone 0 78 - 0 - HG12 ILE 39 - HG2 LYS 63 lone 0 78 - 0 - HG12 ILE 27 - HG2 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HG3 LYS 61 lone 0 76 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 59 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 60 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 51 - 1 - HG3 ARG 57 - HG2 LYS 41 lone 0 60 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 60 - 0 - Peak 2792 from cnoeabs.peaks (3.03, 1.42, 24.91 ppm; 3.28 A): 4 out of 48 assignments used, quality = 1.00: * HE2 LYS 61 + HG2 LYS 61 OK 86 100 - 86 - 3.9=59, 2782/3.0=5...(37) HE2 LYS 61 + HG3 LYS 61 OK 86 100 - 86 - 3.9=59, 2782/3.0=5...(37) HE3 LYS 61 + HG2 LYS 61 OK 50 60 - 83 - 3.9=59, 1.8/2829=5...(42) HE3 LYS 61 + HG3 LYS 61 OK 50 60 - 83 - 3.9=59, 1.8/2829=5...(42) HE2 LYS 41 - HG2 LYS 41 OK 42 46 - 91 - 3.8=66, ~2131=14...(23) HE3 LYS 44 - HG2 LYS 61 OK 23 93 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE3 LYS 44 - HG3 LYS 61 OK 23 93 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 44 - HG2 LYS 61 OK 23 92 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 44 - HG3 LYS 61 OK 23 92 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 61 - HG3 LYS 63 OK 15 85 - 18 - 2829=1, 2829/1.8=1 HE2 LYS 61 - HG2 LYS 63 OK 15 85 - 18 - 2829=1, 2829/1.8=1 HE2 LYS 35 - HG2 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE3 LYS 35 - HG2 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE2 LYS 35 - HG3 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE3 LYS 35 - HG3 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HB2 SER 75 - HG2 LYS 61 lone 9 100 - 9 - 3.0/4460=1, 4.0/6354=1...(5) HB2 SER 75 - HG3 LYS 61 lone 9 100 - 9 - 4.0/6354=1, 3.0/4460=1...(4) HE2 LYS 61 - HG3 LYS 45 poor 8 76 - 10 - 2121/1.8=1 HB2 SER 75 - HG2 LYS 41 poor 7 59 - 11 - 4.0/6354=2, 3.0/4460=2...(6) HE3 LYS 44 - HG3 LYS 45 poor 7 66 - 10 - 4182/4.9=1 HE2 LYS 44 - HG3 LYS 45 poor 6 65 - 10 - 4182/4.9=1 HE3 LYS 61 - HG2 LYS 63 poor 6 45 - 14 - 1.8/2829=1 HE3 LYS 61 - HG3 LYS 63 poor 6 45 - 14 - 1.8/2829=1 HE2 LYS 41 - HG3 LYS 45 poor 6 60 - 10 - 1.8/2130=2, ~2131=2...(4) HE2 LYS 61 - HG2 LYS 41 lone 5 60 - 9 - 2064/3.0=2, 2054/4.0=1 HE2 LYS 41 - HG2 LYS 61 lone 5 87 - 6 - HE2 LYS 41 - HG3 LYS 61 lone 5 87 - 6 - HE3 LYS 44 - HG2 LYS 63 lone 4 74 - 5 - HE3 LYS 44 - HG3 LYS 63 lone 4 74 - 5 - HE2 LYS 44 - HG2 LYS 63 lone 4 73 - 5 - HE2 LYS 44 - HG3 LYS 63 lone 4 73 - 5 - HE3 LYS 61 - HG3 LYS 45 lone 3 39 - 8 - HB2 SER 75 - HG3 LYS 45 lone 3 75 - 3 - HE3 LYS 35 - HG2 LYS 63 lone 2 77 - 3 - HE2 LYS 35 - HG2 LYS 63 lone 2 77 - 3 - HE2 LYS 35 - HG3 LYS 63 lone 2 77 - 3 - HE3 LYS 35 - HG3 LYS 63 lone 2 77 - 3 - HE3 LYS 61 - HG2 LYS 41 lone 2 29 - 7 - ~2064=1 HB2 SER 75 - HG2 LYS 63 lone 2 84 - 2 - HB2 SER 75 - HG3 LYS 63 lone 2 84 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 51 - 2 - HE2 LYS 44 - HG2 LYS 41 lone 1 50 - 2 - HE3 LYS 35 - HG3 LYS 45 lone 1 69 - 1 - HE2 LYS 35 - HG3 LYS 45 lone 1 69 - 1 - HE2 LYS 41 - HG2 LYS 63 lone 1 68 - 1 - HE2 LYS 41 - HG3 LYS 63 lone 1 68 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 1 53 - 1 - Peak 2793 from cnoeabs.peaks (3.00, 1.42, 24.91 ppm; 3.12 A): 10 out of 72 assignments used, quality = 1.00: HE3 LYS 61 + HG3 LYS 61 OK 79 100 - 79 - 3.9=51, 1.8/2829=4...(30) * HE3 LYS 61 + HG2 LYS 61 OK 79 100 - 79 - 3.9=51, 1.8/2829=4...(32) HE3 LYS 45 + HG3 LYS 45 OK 62 72 - 86 - 3.5=70, 1.8/2322=5...(37) HE2 LYS 45 + HG3 LYS 45 OK 62 72 - 86 - 3.5=70, 1.8/2322=5...(37) HE3 LYS 63 + HG2 LYS 63 OK 51 56 - 92 - 3.5=72, 3.0/2941=9...(39) HE3 LYS 63 + HG3 LYS 63 OK 51 56 - 92 - 3.5=72, 3.0/2941=9...(39) HE2 LYS 63 + HG3 LYS 63 OK 49 53 - 92 - 3.5=72, 3.0/2941=9...(39) HE2 LYS 63 + HG2 LYS 63 OK 49 53 - 92 - 3.5=72, 3.0/2941=9...(39) HE2 LYS 61 + HG2 LYS 61 OK 48 60 - 80 - 3.9=51, 1.8/2322=3...(28) HE2 LYS 61 + HG3 LYS 61 OK 48 60 - 80 - 3.9=51, 1.8/2322=3...(26) HE2 LYS 44 - HG3 LYS 61 OK 19 93 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE2 LYS 44 - HG2 LYS 61 OK 19 93 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE3 LYS 44 - HG2 LYS 61 OK 19 92 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE3 LYS 44 - HG3 LYS 61 OK 19 92 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE3 LYS 63 - HG2 LYS 61 OK 15 73 - 21 - 3.0/2941=2, 2783/3.0=1 HE3 LYS 63 - HG3 LYS 61 OK 15 73 - 21 - 3.0/2941=2, 2783/3.0=1 HE2 LYS 94 - HG3 LYS 63 OK 15 58 - 27 - ~2904=1, ~2905=1...(6) HE2 LYS 94 - HG2 LYS 63 OK 15 58 - 27 - ~2904=1, ~2905=1...(6) HE2 LYS 63 - HG2 LYS 61 OK 15 71 - 21 - 3.0/2940=2 HE2 LYS 63 - HG3 LYS 61 OK 15 71 - 21 - 3.0/2940=2 HE3 LYS 94 - HG2 LYS 63 OK 13 49 - 27 - ~2904=1, ~2905=1...(6) HE3 LYS 94 - HG3 LYS 63 OK 13 49 - 27 - ~2904=1, ~2905=1...(6) HE2 LYS 45 - HG2 LYS 61 OK 13 98 - 13 - HE3 LYS 45 - HG2 LYS 61 OK 13 98 - 13 - HE3 LYS 45 - HG3 LYS 61 OK 12 98 - 13 - HE2 LYS 45 - HG3 LYS 61 OK 12 98 - 13 - HE3 LYS 61 - HG2 LYS 63 OK 12 85 - 14 - HE3 LYS 61 - HG3 LYS 63 OK 12 85 - 14 - HE3 LYS 45 - HG2 LYS 63 OK 12 81 - 15 - HE3 LYS 45 - HG3 LYS 63 OK 12 81 - 15 - HE2 LYS 45 - HG2 LYS 63 OK 12 81 - 15 - HE2 LYS 45 - HG3 LYS 63 OK 12 81 - 15 - HE3 LYS 35 - HG2 LYS 61 OK 11 89 - 12 - HE2 LYS 35 - HG2 LYS 61 OK 11 89 - 12 - HE2 LYS 35 - HG3 LYS 61 OK 11 89 - 12 - HE3 LYS 35 - HG3 LYS 61 OK 11 89 - 12 - HE2 LYS 94 - HG3 LYS 61 lone 7 76 - 9 - HE2 LYS 94 - HG2 LYS 61 lone 7 76 - 9 - HE3 LYS 61 - HG3 LYS 45 lone 6 76 - 9 - HE2 LYS 61 - HG3 LYS 63 poor 7 45 - 15 - HE2 LYS 61 - HG2 LYS 63 poor 7 45 - 15 - HE2 LYS 44 - HG3 LYS 45 lone 6 66 - 10 - HE3 LYS 94 - HG3 LYS 61 lone 6 65 - 10 - HE3 LYS 94 - HG2 LYS 61 lone 6 65 - 9 - HE3 LYS 44 - HG3 LYS 45 lone 6 65 - 10 - HE3 LYS 61 - HG2 LYS 41 lone 4 60 - 7 - ~2064=1 HE2 LYS 94 - HG3 LYS 45 lone 4 51 - 7 - HE2 LYS 44 - HG3 LYS 63 lone 3 74 - 4 - HE2 LYS 44 - HG2 LYS 63 lone 3 74 - 4 - HE3 LYS 44 - HG2 LYS 63 lone 3 73 - 4 - HE3 LYS 44 - HG3 LYS 63 lone 3 73 - 4 - HE3 LYS 94 - HG3 LYS 45 lone 3 43 - 7 - HE2 LYS 61 - HG3 LYS 45 lone 3 39 - 8 - HE3 LYS 63 - HG3 LYS 45 lone 3 49 - 5 - HE2 LYS 63 - HG3 LYS 45 lone 3 47 - 5 - HE2 LYS 45 - HG2 LYS 41 lone 2 56 - 3 - HE3 LYS 45 - HG2 LYS 41 lone 2 56 - 3 - HE2 LYS 35 - HG2 LYS 63 lone 2 69 - 2 - HE2 LYS 35 - HG3 LYS 63 lone 2 69 - 2 - HE3 LYS 35 - HG2 LYS 63 lone 2 69 - 2 - HE3 LYS 35 - HG3 LYS 63 lone 2 69 - 2 - HE2 LYS 61 - HG2 LYS 41 lone 1 29 - 4 - HE2 LYS 44 - HG2 LYS 41 lone 1 51 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 50 - 2 - HE2 LYS 94 - HG2 LYS 41 lone 1 38 - 2 - HE3 LYS 94 - HG2 LYS 41 lone 1 32 - 2 - HE2 LYS 35 - HG3 LYS 45 lone 1 62 - 1 - HE3 LYS 35 - HG3 LYS 45 lone 1 62 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 0 47 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 0 47 - 1 - HE3 LYS 63 - HG2 LYS 41 lone 0 37 - 1 - HE2 LYS 63 - HG2 LYS 41 lone 0 35 - 1 - Peak 2794 from cnoeabs.peaks (7.76, 1.42, 24.91 ppm; 3.45 A): 2 out of 12 assignments used, quality = 0.96: * H LYS 61 + HG3 LYS 61 OK 79 100 - 79 - 4.7=40, 865/3.0=14...(20) H LYS 61 + HG2 LYS 61 OK 79 100 - 79 - 4.7=40, 865/3.0=14...(20) H LYS 61 - HG3 LYS 63 OK 19 87 - 22 - 868=4, 868/1.8=3...(7) H LYS 61 - HG2 LYS 63 OK 19 87 - 22 - 868=4, 868/1.8=3...(7) H ASN 91 - HG3 LYS 61 lone 8 99 - 8 - H ASN 91 - HG2 LYS 61 lone 8 99 - 8 - H ASN 91 - HG2 LYS 63 lone 4 84 - 4 - H ASN 91 - HG3 LYS 63 lone 4 84 - 4 - H LYS 61 - HG3 LYS 45 lone 4 74 - 5 - H LYS 61 - HG2 LYS 41 lone 3 57 - 6 - 5941/3.8=1, 5944/3.0=1 H ASN 91 - HG3 LYS 45 lone 1 71 - 1 - H ASN 91 - HG2 LYS 41 lone 1 54 - 1 - Peak 2795 from cnoeabs.peaks (4.35, 1.42, 24.91 ppm; 2.96 A): 4 out of 48 assignments used, quality = 0.98: HA LYS 61 + HG2 LYS 61 OK 72 100 - 72 - 3.9=44, 2758/1.8=8...(21) * HA LYS 61 + HG3 LYS 61 OK 72 100 - 72 - 3.9=44, 2758/1.8=8...(21) HA LEU 62 + HG3 LYS 61 OK 46 97 - 48 - ~4246=6, ~4247=6...(20) HA LEU 62 + HG2 LYS 61 OK 46 97 - 48 - ~4246=6, ~4247=6...(20) HA LEU 62 - HG2 LYS 63 OK 21 80 - 26 - 282/4.9=7, 3.0/276=2...(10) HA LEU 62 - HG3 LYS 63 OK 21 80 - 26 - 282/4.9=7, 3.0/276=2...(10) HA LYS 61 - HG3 LYS 63 OK 17 87 - 20 - 2759=3, 282/4.9=3...(5) HA LYS 61 - HG2 LYS 63 OK 17 87 - 20 - 2759=3, 282/4.9=3...(5) HB THR 59 - HG3 LYS 61 OK 15 60 - 25 - 5911=5, 5911/1.8=4...(10) HB THR 59 - HG2 LYS 61 OK 15 60 - 25 - 5911=5, 5911/1.8=4...(10) HA THR 42 - HG2 LYS 41 poor 9 29 - 33 - 3.0/178=7, ~179=6...(15) HB THR 59 - HG3 LYS 63 lone 4 46 - 8 - 5911=1, 5911/1.8=1, 2.1/5921=1 HB THR 59 - HG2 LYS 63 lone 4 46 - 8 - 5911=1, 5911/1.8=1, 2.1/5921=1 HA PHE 34 - HG3 LYS 63 lone 3 66 - 5 - HA PHE 34 - HG2 LYS 63 lone 3 66 - 5 - HA TRP 82 - HG2 LYS 41 lone 3 52 - 6 - 3.0/6569=1, 3.0/6576=1 HA TRP 82 - HG3 LYS 61 lone 2 97 - 2 - HA TRP 82 - HG2 LYS 61 lone 2 97 - 2 - HA LYS 61 - HG3 LYS 45 lone 2 74 - 3 - HA LEU 62 - HG3 LYS 45 lone 2 67 - 3 - HA ALA 98 - HG3 LYS 63 lone 2 68 - 3 - HA ALA 98 - HG2 LYS 63 lone 2 68 - 3 - HA TRP 82 - HG3 LYS 45 lone 2 68 - 2 - HA LYS 61 - HG2 LYS 41 lone 1 57 - 3 - HA PHE 34 - HG3 LYS 61 lone 1 83 - 2 - HA PHE 34 - HG2 LYS 61 lone 1 83 - 2 - HA THR 42 - HG3 LYS 61 lone 1 63 - 2 - HA THR 42 - HG3 LYS 45 lone 1 39 - 3 - 3.0/178=1, ~179=1 HA THR 42 - HG2 LYS 61 lone 1 63 - 2 - HB THR 59 - HG2 LYS 41 lone 1 27 - 4 - HA ALA 98 - HG3 LYS 61 lone 1 85 - 1 - HA ALA 98 - HG2 LYS 41 lone 1 42 - 2 - HA ALA 98 - HG2 LYS 61 lone 1 85 - 1 - HA TRP 82 - HG3 LYS 63 lone 1 81 - 1 - HA TRP 82 - HG2 LYS 63 lone 1 81 - 1 - HA LEU 62 - HG2 LYS 41 lone 1 51 - 1 - HB THR 59 - HG3 LYS 45 lone 1 37 - 1 - HA SER 11 - HG3 LYS 61 lone 0 99 - 0 - HA SER 11 - HG2 LYS 61 lone 0 99 - 0 - HA SER 11 - HG3 LYS 63 lone 0 85 - 1 - HA SER 11 - HG2 LYS 63 lone 0 85 - 1 - HA THR 42 - HG2 LYS 63 lone 0 48 - 1 - HA THR 42 - HG3 LYS 63 lone 0 48 - 1 - HA PHE 34 - HG2 LYS 41 lone 0 40 - 1 - HA SER 11 - HG3 LYS 45 lone 0 72 - 0 - HA PHE 34 - HG3 LYS 45 lone 0 54 - 0 - HA ALA 98 - HG3 LYS 45 lone 0 56 - 0 - HA SER 11 - HG2 LYS 41 lone 0 55 - 0 - Peak 2796 from cnoeabs.peaks (1.84, 1.42, 24.91 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 2797 from cnoeabs.peaks (1.66, 1.42, 24.91 ppm; 2.49 A): 8 out of 108 assignments used, quality = 1.00: * HB3 LYS 61 + HG3 LYS 61 OK 69 100 - 69 - 3.0=59, 4247/5.0=5...(10) HB3 LYS 61 + HG2 LYS 61 OK 69 100 - 69 - 3.0=59, 4247/5.0=5...(10) HD2 LYS 61 + HG3 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(13) HD3 LYS 61 + HG3 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(13) HD2 LYS 61 + HG2 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(15) HD3 LYS 61 + HG2 LYS 61 OK 57 76 - 75 - 3.0=59, 2.9/2802=2...(15) HD3 LYS 63 + HG2 LYS 63 OK 47 59 - 80 - 3.0=60, 1.8/2940=9...(16) HD3 LYS 63 + HG3 LYS 63 OK 47 59 - 80 - 3.0=60, 1.8/2940=9...(16) HB2 MET 50 - HG2 LYS 41 OK 19 54 - 35 - 5662/3.0=6, 4.1/5672=5...(15) HD3 LYS 94 - HG2 LYS 63 OK 14 68 - 21 - HD2 LYS 94 - HG3 LYS 63 OK 14 68 - 21 - HD2 LYS 94 - HG2 LYS 63 OK 14 68 - 21 - HD3 LYS 94 - HG3 LYS 63 OK 14 68 - 21 - HD3 LYS 63 - HG2 LYS 61 poor 9 76 - 12 - 1.8/2940=2 HD3 LYS 63 - HG3 LYS 61 poor 9 76 - 12 - 1.8/2940=2 HB3 LYS 61 - HG2 LYS 63 poor 9 87 - 10 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 9 87 - 10 - 4.4/4249=1 HD2 LYS 44 - HG3 LYS 61 poor 8 76 - 11 - HD2 LYS 44 - HG2 LYS 61 poor 8 76 - 11 - HD3 LYS 44 - HG3 LYS 61 poor 8 73 - 11 - HD3 LYS 44 - HG2 LYS 61 poor 8 73 - 11 - HD2 LYS 61 - HG3 LYS 63 poor 8 59 - 13 - HD2 LYS 61 - HG2 LYS 63 poor 8 59 - 13 - HD3 LYS 61 - HG3 LYS 63 poor 8 59 - 13 - HD3 LYS 61 - HG2 LYS 63 poor 8 59 - 13 - HD3 LYS 94 - HG3 LYS 61 lone 6 85 - 7 - HD2 LYS 94 - HG3 LYS 61 lone 6 85 - 7 - HD3 LYS 94 - HG2 LYS 61 lone 6 85 - 7 - HD2 LYS 94 - HG2 LYS 61 lone 6 85 - 7 - HB ILE 40 - HG2 LYS 41 poor 4 35 - 12 - 4157/4.9=3, ~5432=2...(4) HD2 LYS 94 - HG3 LYS 45 lone 4 56 - 7 - HD3 LYS 94 - HG3 LYS 45 lone 4 56 - 7 - HG12 ILE 40 - HG2 LYS 41 lone 4 43 - 8 - 4159/4.9=3, ~5462=1, ~5439=1 HD2 LYS 44 - HG3 LYS 45 lone 3 48 - 7 - HD3 LYS 44 - HG3 LYS 45 lone 3 47 - 7 - HD3 LYS 61 - HG3 LYS 45 lone 3 48 - 6 - HD2 LYS 61 - HG3 LYS 45 lone 3 48 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 3 65 - 4 - HD3 LYS 35 - HG2 LYS 61 lone 3 65 - 4 - QB ALA 79 - HG2 LYS 61 lone 3 97 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 97 - 3 - QB ALA 79 - HG2 LYS 41 lone 3 52 - 5 - 2.9/361=1 HG3 GLN 19 - HG2 LYS 63 lone 2 80 - 3 - HG3 GLN 19 - HG3 LYS 63 lone 2 80 - 3 - HB2 MET 50 - HG3 LYS 61 lone 2 99 - 2 - HB2 MET 50 - HG2 LYS 61 lone 2 99 - 2 - HD2 LYS 44 - HG3 LYS 63 lone 2 59 - 3 - HD2 LYS 44 - HG2 LYS 63 lone 2 59 - 3 - HD3 LYS 44 - HG2 LYS 63 lone 2 57 - 3 - HD3 LYS 44 - HG3 LYS 63 lone 2 57 - 3 - HB3 LYS 61 - HG3 LYS 45 lone 2 74 - 2 - QB ALA 79 - HG2 LYS 63 lone 2 81 - 2 - QB ALA 79 - HG3 LYS 63 lone 2 81 - 2 - HG3 ARG 57 - HG2 LYS 63 lone 1 62 - 2 - HG3 ARG 57 - HG3 LYS 63 lone 1 62 - 2 - HD2 LYS 61 - HG2 LYS 41 lone 1 36 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 1 36 - 4 - HG2 ARG 57 - HG3 LYS 63 lone 1 57 - 2 - HG2 ARG 57 - HG2 LYS 63 lone 1 57 - 2 - HD3 LYS 94 - HG2 LYS 41 lone 1 42 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 1 42 - 3 - QB ALA 79 - HG3 LYS 45 lone 1 68 - 2 - HG12 ILE 27 - HG2 LYS 41 lone 1 57 - 2 - HB2 MET 50 - HG3 LYS 45 lone 1 70 - 1 - HG12 ILE 40 - HG2 LYS 61 lone 1 87 - 1 - HG12 ILE 40 - HG3 LYS 61 lone 1 87 - 1 - HB3 LYS 61 - HG2 LYS 41 lone 1 57 - 1 - HD3 LYS 63 - HG3 LYS 45 lone 1 48 - 2 - HB2 MET 50 - HG3 LYS 63 lone 1 83 - 1 - HB2 MET 50 - HG2 LYS 63 lone 1 83 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 1 87 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 1 87 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 73 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 73 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 27 - HG2 LYS 61 lone 1 100 - 1 - HG12 ILE 40 - HG2 LYS 63 lone 1 70 - 1 - HG12 ILE 40 - HG3 LYS 63 lone 1 70 - 1 - HD2 LYS 44 - HG2 LYS 41 lone 1 36 - 2 - HD3 LYS 35 - HG2 LYS 63 lone 1 50 - 1 - HD3 LYS 35 - HG3 LYS 63 lone 1 50 - 1 - HD3 LYS 44 - HG2 LYS 41 lone 1 35 - 2 - HB ILE 40 - HG3 LYS 45 lone 1 47 - 1 - HB VAL 18 - HG2 LYS 63 lone 1 64 - 1 - HB VAL 18 - HG3 LYS 63 lone 1 64 - 1 - HB VAL 18 - HG3 LYS 61 lone 1 81 - 1 - HB VAL 18 - HG2 LYS 61 lone 0 81 - 1 - HB VAL 18 - HG2 LYS 41 lone 1 39 - 1 - HB ILE 40 - HG3 LYS 63 lone 0 57 - 1 - HB ILE 40 - HG2 LYS 63 lone 0 57 - 1 - HG3 GLN 19 - HG3 LYS 61 lone 0 97 - 0 - HG3 GLN 19 - HG2 LYS 61 lone 0 97 - 0 - HG12 ILE 40 - HG3 LYS 45 lone 0 57 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 0 78 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 0 78 - 1 - HG3 GLN 19 - HG3 LYS 45 lone 0 67 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 0 73 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 0 73 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 74 - 0 - HG3 ARG 57 - HG3 LYS 45 lone 0 50 - 0 - HB VAL 18 - HG3 LYS 45 lone 0 52 - 0 - HG3 GLN 19 - HG2 LYS 41 lone 0 51 - 0 - HG2 ARG 57 - HG3 LYS 45 lone 0 47 - 0 - HD3 LYS 35 - HG3 LYS 45 lone 0 41 - 0 - HD3 LYS 63 - HG2 LYS 41 lone 0 36 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 30 - 0 - HG3 ARG 57 - HG2 LYS 41 lone 0 38 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 35 - 0 - Peak 2798 from cnoeabs.peaks (1.42, 1.42, 24.91 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG2 LYS 63 + HG2 LYS 63 OK 78 78 - 100 HG3 LYS 63 + HG3 LYS 63 OK 78 78 - 100 HG3 LYS 45 + HG3 LYS 45 OK 57 57 - 100 HG2 LYS 41 - HG2 LYS 41 OK 36 36 - 100 Reference assignment not found: HG2 LYS 61 - HG3 LYS 61 Peak 2799 from cnoeabs.peaks (1.42, 1.42, 24.91 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 HG2 LYS 63 + HG2 LYS 63 OK 79 79 - 100 HG3 LYS 63 + HG3 LYS 63 OK 79 79 - 100 HG3 LYS 45 + HG3 LYS 45 OK 56 56 - 100 HG2 LYS 41 - HG2 LYS 41 OK 35 35 - 100 Peak 2800 from cnoeabs.peaks (1.68, 1.42, 24.91 ppm; 2.54 A): 8 out of 108 assignments used, quality = 1.00: HD2 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2950/1.8=2...(18) HD3 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2950/1.8=2...(18) HD3 LYS 61 + HG3 LYS 61 OK 78 100 - 78 - 3.0=63, 2950/1.8=2...(19) * HD2 LYS 61 + HG3 LYS 61 OK 78 100 - 78 - 3.0=63, 2950/1.8=2...(19) HD3 LYS 63 + HG2 LYS 63 OK 72 87 - 83 - 3.0=64, 1.8/2941=9...(17) HD3 LYS 63 + HG3 LYS 63 OK 72 87 - 83 - 3.0=64, 1.8/2941=9...(17) HB3 LYS 61 + HG3 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HB3 LYS 61 + HG2 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HD3 LYS 45 - HG3 LYS 45 OK 43 54 - 80 - 2.9=66, 2284/1.8=6...(19) HD2 LYS 45 - HG3 LYS 45 OK 41 50 - 81 - 2.9=66, 2284/1.8=6...(21) HD3 LYS 94 - HG3 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG3 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG2 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG2 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 63 - HG2 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 63 - HG3 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 61 - HG3 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG3 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD2 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HB ILE 40 - HG2 LYS 41 poor 8 57 - 15 - 4157/4.9=4, ~5432=2...(5) HD2 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD2 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HB3 LYS 61 - HG2 LYS 63 poor 7 59 - 11 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 7 59 - 11 - 4.4/4249=1 HD2 LYS 44 - HG3 LYS 45 lone 6 74 - 9 - HD3 LYS 44 - HG3 LYS 45 lone 6 74 - 9 - HD3 LYS 61 - HG3 LYS 45 lone 6 74 - 8 - HD2 LYS 61 - HG3 LYS 45 lone 6 74 - 8 - HD2 LYS 94 - HG3 LYS 45 lone 6 73 - 8 - HD3 LYS 94 - HG3 LYS 45 lone 6 73 - 8 - HD3 LYS 45 - HG2 LYS 63 lone 6 66 - 8 - HD3 LYS 45 - HG3 LYS 63 lone 6 66 - 8 - HD2 LYS 45 - HG2 LYS 63 lone 5 62 - 9 - HD2 LYS 45 - HG3 LYS 63 lone 5 62 - 9 - HD3 LYS 45 - HG2 LYS 61 lone 5 83 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 83 - 6 - HD2 LYS 45 - HG2 LYS 61 lone 5 78 - 6 - HD2 LYS 45 - HG3 LYS 61 lone 5 78 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 100 - 5 - HD2 LYS 77 - HG2 LYS 63 lone 4 64 - 7 - HD2 LYS 77 - HG3 LYS 63 lone 4 64 - 7 - HD2 LYS 44 - HG2 LYS 63 lone 3 87 - 4 - HD2 LYS 44 - HG3 LYS 63 lone 3 87 - 4 - HD3 LYS 44 - HG2 LYS 63 lone 3 87 - 4 - HD3 LYS 44 - HG3 LYS 63 lone 3 87 - 4 - QB ALA 79 - HG2 LYS 61 lone 3 94 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 95 - 3 - QB ALA 79 - HG2 LYS 41 lone 3 49 - 5 - 2.9/361=1 HG2 ARG 57 - HG3 LYS 63 lone 3 87 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 3 87 - 3 - HG3 ARG 57 - HG3 LYS 63 lone 3 87 - 3 - HG3 ARG 57 - HG2 LYS 63 lone 3 87 - 3 - HD2 LYS 61 - HG2 LYS 41 lone 2 57 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 2 57 - 4 - HD3 LYS 94 - HG2 LYS 41 lone 2 56 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 2 56 - 3 - QB ALA 79 - HG2 LYS 63 lone 2 78 - 2 - QB ALA 79 - HG3 LYS 63 lone 2 78 - 2 - HD3 LYS 63 - HG3 LYS 45 lone 2 74 - 2 - HD3 LYS 45 - HG2 LYS 41 lone 2 40 - 4 - HD3 LYS 35 - HG3 LYS 63 lone 1 86 - 2 - HD3 LYS 35 - HG2 LYS 63 lone 1 86 - 2 - HD2 LYS 45 - HG2 LYS 41 lone 1 38 - 4 - HB ILE 40 - HG3 LYS 45 lone 1 74 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 81 - 1 - HB3 LYS 61 - HG3 LYS 45 lone 1 48 - 2 - HD2 LYS 77 - HG3 LYS 61 lone 1 81 - 1 - HD2 LYS 44 - HG2 LYS 41 lone 1 57 - 2 - QB ALA 79 - HG3 LYS 45 lone 1 65 - 2 - HD3 LYS 44 - HG2 LYS 41 lone 1 57 - 2 - HB ILE 40 - HG2 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 87 - 1 - HB ILE 40 - HG3 LYS 63 lone 1 87 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 41 lone 1 51 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HG3 LYS 45 lone 1 52 - 1 - HG12 ILE 27 - HG2 LYS 41 lone 1 36 - 2 - HB3 LYS 61 - HG2 LYS 41 lone 1 36 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 0 59 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 0 59 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 0 74 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 74 - 1 - HG12 ILE 39 - HG2 LYS 63 lone 0 80 - 0 - HG12 ILE 39 - HG3 LYS 63 lone 0 80 - 0 - HD3 LYS 35 - HG3 LYS 45 lone 0 73 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 0 67 - 1 - HD2 LYS 77 - HG2 LYS 41 lone 0 39 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HG2 LYS 61 lone 0 76 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 56 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 57 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 48 - 1 - HG3 ARG 57 - HG2 LYS 41 lone 0 57 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 57 - 0 - Peak 2801 from cnoeabs.peaks (1.68, 1.42, 24.91 ppm; 2.54 A): 8 out of 108 assignments used, quality = 1.00: HD2 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2950/1.8=2...(18) HD3 LYS 61 + HG2 LYS 61 OK 78 100 - 79 - 3.0=63, 2950/1.8=2...(18) * HD3 LYS 61 + HG3 LYS 61 OK 78 100 - 78 - 3.0=63, 2950/1.8=2...(19) HD2 LYS 61 + HG3 LYS 61 OK 78 100 - 78 - 3.0=63, 2950/1.8=2...(19) HD3 LYS 63 + HG2 LYS 63 OK 72 87 - 83 - 3.0=64, 1.8/2941=9...(17) HD3 LYS 63 + HG3 LYS 63 OK 72 87 - 83 - 3.0=64, 1.8/2941=9...(17) HB3 LYS 61 + HG3 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HB3 LYS 61 + HG2 LYS 61 OK 55 76 - 72 - 3.0=63, 3.6/867=4...(10) HD3 LYS 45 - HG3 LYS 45 OK 43 54 - 80 - 2.9=66, 2284/1.8=6...(19) HD2 LYS 45 - HG3 LYS 45 OK 41 50 - 81 - 2.9=66, 2284/1.8=6...(21) HD3 LYS 94 - HG3 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG3 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 94 - HG2 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD2 LYS 94 - HG2 LYS 63 OK 21 86 - 24 - 2903/2.9=2, 2913/2.9=2 HD3 LYS 63 - HG2 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 63 - HG3 LYS 61 OK 14 100 - 14 - 1.8/2940=2 HD3 LYS 61 - HG3 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG3 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 13 87 - 15 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD2 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG3 LYS 61 OK 12 100 - 12 - HD3 LYS 44 - HG2 LYS 61 OK 12 100 - 12 - HB ILE 40 - HG2 LYS 41 poor 8 57 - 15 - 4157/4.9=4, ~5432=2...(5) HD2 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG3 LYS 61 lone 8 100 - 8 - HD3 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HD2 LYS 94 - HG2 LYS 61 lone 8 100 - 8 - HB3 LYS 61 - HG2 LYS 63 poor 7 59 - 11 - 4.4/4249=1 HB3 LYS 61 - HG3 LYS 63 poor 7 59 - 11 - 4.4/4249=1 HD2 LYS 44 - HG3 LYS 45 lone 6 74 - 9 - HD3 LYS 44 - HG3 LYS 45 lone 6 74 - 9 - HD3 LYS 61 - HG3 LYS 45 lone 6 74 - 8 - HD2 LYS 61 - HG3 LYS 45 lone 6 74 - 8 - HD2 LYS 94 - HG3 LYS 45 lone 6 73 - 8 - HD3 LYS 94 - HG3 LYS 45 lone 6 73 - 8 - HD3 LYS 45 - HG2 LYS 63 lone 6 66 - 8 - HD3 LYS 45 - HG3 LYS 63 lone 6 66 - 8 - HD2 LYS 45 - HG2 LYS 63 lone 5 62 - 9 - HD2 LYS 45 - HG3 LYS 63 lone 5 62 - 9 - HD3 LYS 45 - HG2 LYS 61 lone 5 83 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 83 - 6 - HD2 LYS 45 - HG2 LYS 61 lone 5 78 - 6 - HD2 LYS 45 - HG3 LYS 61 lone 5 78 - 6 - HD3 LYS 35 - HG3 LYS 61 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 100 - 5 - HD2 LYS 77 - HG2 LYS 63 lone 4 64 - 7 - HD2 LYS 77 - HG3 LYS 63 lone 4 64 - 7 - HD2 LYS 44 - HG2 LYS 63 lone 3 87 - 4 - HD2 LYS 44 - HG3 LYS 63 lone 3 87 - 4 - HD3 LYS 44 - HG2 LYS 63 lone 3 87 - 4 - HD3 LYS 44 - HG3 LYS 63 lone 3 87 - 4 - QB ALA 79 - HG2 LYS 61 lone 3 94 - 3 - QB ALA 79 - HG3 LYS 61 lone 3 95 - 3 - QB ALA 79 - HG2 LYS 41 lone 3 49 - 5 - 2.9/361=1 HG2 ARG 57 - HG3 LYS 63 lone 3 87 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 3 87 - 3 - HG3 ARG 57 - HG3 LYS 63 lone 3 87 - 3 - HG3 ARG 57 - HG2 LYS 63 lone 3 87 - 3 - HD2 LYS 61 - HG2 LYS 41 lone 2 57 - 4 - HD3 LYS 61 - HG2 LYS 41 lone 2 57 - 4 - HD3 LYS 94 - HG2 LYS 41 lone 2 56 - 3 - HD2 LYS 94 - HG2 LYS 41 lone 2 56 - 3 - QB ALA 79 - HG2 LYS 63 lone 2 78 - 2 - QB ALA 79 - HG3 LYS 63 lone 2 78 - 2 - HD3 LYS 63 - HG3 LYS 45 lone 2 74 - 2 - HD3 LYS 45 - HG2 LYS 41 lone 2 40 - 4 - HD3 LYS 35 - HG3 LYS 63 lone 1 86 - 2 - HD3 LYS 35 - HG2 LYS 63 lone 1 86 - 2 - HD2 LYS 45 - HG2 LYS 41 lone 1 38 - 4 - HB ILE 40 - HG3 LYS 45 lone 1 74 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 81 - 1 - HB3 LYS 61 - HG3 LYS 45 lone 1 48 - 2 - HD2 LYS 77 - HG3 LYS 61 lone 1 81 - 1 - HD2 LYS 44 - HG2 LYS 41 lone 1 57 - 2 - QB ALA 79 - HG3 LYS 45 lone 1 65 - 2 - HD3 LYS 44 - HG2 LYS 41 lone 1 57 - 2 - HB ILE 40 - HG2 LYS 61 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 87 - 1 - HB ILE 40 - HG3 LYS 63 lone 1 87 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 41 lone 1 51 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 97 - 1 - HD2 LYS 77 - HG3 LYS 45 lone 1 52 - 1 - HG12 ILE 27 - HG2 LYS 41 lone 1 36 - 2 - HB3 LYS 61 - HG2 LYS 41 lone 1 36 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 0 59 - 1 - HG12 ILE 27 - HG3 LYS 63 lone 0 59 - 1 - HG2 ARG 57 - HG3 LYS 45 lone 0 74 - 1 - HG3 ARG 57 - HG3 LYS 45 lone 0 74 - 1 - HG12 ILE 39 - HG2 LYS 63 lone 0 80 - 0 - HG12 ILE 39 - HG3 LYS 63 lone 0 80 - 0 - HD3 LYS 35 - HG3 LYS 45 lone 0 73 - 1 - HG12 ILE 39 - HG3 LYS 45 lone 0 67 - 1 - HD2 LYS 77 - HG2 LYS 41 lone 0 39 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HG2 LYS 61 lone 0 76 - 0 - HD3 LYS 35 - HG2 LYS 41 lone 0 56 - 1 - HD3 LYS 63 - HG2 LYS 41 lone 0 57 - 1 - HG12 ILE 27 - HG3 LYS 45 lone 0 48 - 1 - HG3 ARG 57 - HG2 LYS 41 lone 0 57 - 0 - HG2 ARG 57 - HG2 LYS 41 lone 0 57 - 0 - Peak 2802 from cnoeabs.peaks (3.03, 1.42, 24.91 ppm; 3.28 A): 4 out of 48 assignments used, quality = 1.00: * HE2 LYS 61 + HG3 LYS 61 OK 86 100 - 86 - 3.9=59, 2782/3.0=5...(37) HE2 LYS 61 + HG2 LYS 61 OK 86 100 - 86 - 3.9=59, 2782/3.0=5...(37) HE3 LYS 61 + HG3 LYS 61 OK 50 60 - 83 - 3.9=59, 1.8/2829=5...(42) HE3 LYS 61 + HG2 LYS 61 OK 50 60 - 83 - 3.9=59, 1.8/2829=5...(42) HE2 LYS 41 - HG2 LYS 41 OK 39 43 - 91 - 3.8=66, ~2131=14...(22) HE3 LYS 44 - HG3 LYS 61 OK 23 93 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE3 LYS 44 - HG2 LYS 61 OK 23 93 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 44 - HG3 LYS 61 OK 23 92 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 44 - HG2 LYS 61 OK 23 92 - 25 - 2782/3.0=2, 2772/3.0=2...(8) HE2 LYS 61 - HG2 LYS 63 OK 15 87 - 18 - 2829=1, 2829/1.8=1 HE2 LYS 61 - HG3 LYS 63 OK 15 87 - 18 - 2829=1, 2829/1.8=1 HE2 LYS 35 - HG3 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE3 LYS 35 - HG3 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE3 LYS 35 - HG2 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HE2 LYS 35 - HG2 LYS 61 OK 14 96 - 15 - 2782/3.0=1, 2772/3.0=1, 2829=1 HB2 SER 75 - HG2 LYS 61 lone 9 100 - 9 - 4.0/6354=1, 3.0/4460=1...(4) HB2 SER 75 - HG3 LYS 61 lone 9 100 - 9 - 4.0/6354=1, 6361/1.8=1...(4) HE2 LYS 61 - HG3 LYS 45 poor 8 74 - 10 - 2121/1.8=1 HE3 LYS 61 - HG3 LYS 63 poor 7 46 - 14 - 1.8/2829=1 HE3 LYS 61 - HG2 LYS 63 poor 7 46 - 14 - 1.8/2829=1 HE3 LYS 44 - HG3 LYS 45 lone 6 64 - 10 - 4182/4.9=1 HE2 LYS 44 - HG3 LYS 45 poor 6 62 - 10 - 4182/4.9=1 HB2 SER 75 - HG2 LYS 41 poor 6 55 - 11 - 4.0/6354=2, 3.0/4460=2...(6) HE2 LYS 41 - HG3 LYS 45 lone 6 57 - 10 - ~2131=2, 1.8/2130=2...(4) HE2 LYS 41 - HG2 LYS 61 lone 5 87 - 6 - HE2 LYS 41 - HG3 LYS 61 lone 5 87 - 6 - HE2 LYS 61 - HG2 LYS 41 lone 5 57 - 9 - 2064/3.0=2, 2054/4.0=1 HE3 LYS 44 - HG2 LYS 63 lone 4 76 - 5 - HE3 LYS 44 - HG3 LYS 63 lone 4 76 - 5 - HE2 LYS 44 - HG2 LYS 63 lone 4 75 - 5 - HE2 LYS 44 - HG3 LYS 63 lone 4 75 - 5 - HE3 LYS 61 - HG3 LYS 45 lone 3 37 - 8 - HB2 SER 75 - HG3 LYS 45 lone 2 72 - 3 - HE3 LYS 35 - HG2 LYS 63 lone 2 79 - 3 - HE2 LYS 35 - HG2 LYS 63 lone 2 79 - 3 - HE2 LYS 35 - HG3 LYS 63 lone 2 79 - 3 - HE3 LYS 35 - HG3 LYS 63 lone 2 79 - 3 - HE3 LYS 61 - HG2 LYS 41 lone 2 27 - 7 - ~2064=1 HB2 SER 75 - HG2 LYS 63 lone 2 85 - 2 - HB2 SER 75 - HG3 LYS 63 lone 2 85 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 48 - 2 - HE2 LYS 44 - HG2 LYS 41 lone 1 47 - 2 - HE3 LYS 35 - HG3 LYS 45 lone 1 66 - 1 - HE2 LYS 35 - HG3 LYS 45 lone 1 66 - 1 - HE2 LYS 41 - HG2 LYS 63 lone 1 70 - 1 - HE2 LYS 41 - HG3 LYS 63 lone 1 70 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 0 50 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 0 50 - 1 - Peak 2803 from cnoeabs.peaks (3.00, 1.42, 24.91 ppm; 3.12 A): 10 out of 72 assignments used, quality = 1.00: * HE3 LYS 61 + HG3 LYS 61 OK 79 100 - 79 - 3.9=51, 1.8/2829=4...(30) HE3 LYS 61 + HG2 LYS 61 OK 79 100 - 79 - 3.9=51, 1.8/2829=4...(32) HE3 LYS 45 + HG3 LYS 45 OK 60 69 - 86 - 3.5=70, 1.8/2322=5...(37) HE2 LYS 45 + HG3 LYS 45 OK 60 69 - 86 - 3.5=70, 1.8/2322=5...(37) HE3 LYS 63 + HG2 LYS 63 OK 52 57 - 92 - 3.5=72, 3.0/2940=10...(39) HE3 LYS 63 + HG3 LYS 63 OK 52 57 - 92 - 3.5=72, 3.0/2940=10...(39) HE2 LYS 63 + HG3 LYS 63 OK 50 55 - 92 - 3.5=72, 3.0/2940=10...(39) HE2 LYS 63 + HG2 LYS 63 OK 50 55 - 92 - 3.5=72, 3.0/2940=10...(39) HE2 LYS 61 + HG3 LYS 61 OK 48 60 - 80 - 3.9=51, 1.8/2322=3...(26) HE2 LYS 61 + HG2 LYS 61 OK 48 60 - 80 - 3.9=51, 1.8/2322=3...(28) HE2 LYS 44 - HG3 LYS 61 OK 19 93 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE2 LYS 44 - HG2 LYS 61 OK 19 93 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE3 LYS 44 - HG3 LYS 61 OK 19 92 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE3 LYS 44 - HG2 LYS 61 OK 19 92 - 21 - 2773/3.0=1, 2783/3.0=1...(5) HE2 LYS 94 - HG2 LYS 63 OK 16 59 - 27 - ~2904=1, ~2905=1...(6) HE2 LYS 94 - HG3 LYS 63 OK 16 59 - 27 - ~2904=1, ~2905=1...(6) HE3 LYS 63 - HG3 LYS 61 OK 15 73 - 21 - 3.0/2940=2, 2783/3.0=1 HE3 LYS 63 - HG2 LYS 61 OK 15 73 - 21 - 3.0/2940=2, 2783/3.0=1 HE2 LYS 63 - HG2 LYS 61 OK 15 71 - 21 - 3.0/2941=2 HE2 LYS 63 - HG3 LYS 61 OK 15 71 - 21 - 3.0/2941=2 HE3 LYS 94 - HG2 LYS 63 OK 14 50 - 28 - ~2904=1, ~2905=1...(6) HE3 LYS 94 - HG3 LYS 63 OK 14 50 - 28 - ~2904=1, ~2905=1...(6) HE2 LYS 45 - HG2 LYS 61 OK 12 98 - 13 - HE3 LYS 45 - HG2 LYS 61 OK 12 98 - 13 - HE3 LYS 45 - HG3 LYS 61 OK 12 98 - 12 - HE2 LYS 45 - HG3 LYS 61 OK 12 98 - 12 - HE3 LYS 61 - HG3 LYS 63 OK 12 87 - 14 - HE3 LYS 61 - HG2 LYS 63 OK 12 87 - 14 - HE3 LYS 45 - HG2 LYS 63 OK 12 82 - 15 - HE3 LYS 45 - HG3 LYS 63 OK 12 82 - 15 - HE2 LYS 45 - HG2 LYS 63 OK 12 82 - 15 - HE2 LYS 45 - HG3 LYS 63 OK 12 82 - 15 - HE3 LYS 35 - HG3 LYS 61 OK 11 89 - 12 - HE2 LYS 35 - HG3 LYS 61 OK 11 89 - 12 - HE2 LYS 35 - HG2 LYS 61 OK 11 89 - 12 - HE3 LYS 35 - HG2 LYS 61 OK 11 89 - 12 - HE2 LYS 94 - HG3 LYS 61 lone 7 76 - 9 - HE2 LYS 94 - HG2 LYS 61 lone 7 76 - 9 - HE2 LYS 61 - HG2 LYS 63 poor 7 46 - 15 - HE2 LYS 61 - HG3 LYS 63 poor 7 46 - 15 - HE3 LYS 94 - HG3 LYS 61 lone 6 65 - 10 - HE3 LYS 94 - HG2 LYS 61 lone 6 65 - 10 - HE3 LYS 61 - HG3 LYS 45 lone 6 74 - 8 - HE2 LYS 44 - HG3 LYS 45 lone 6 64 - 10 - HE3 LYS 44 - HG3 LYS 45 lone 6 62 - 10 - HE3 LYS 61 - HG2 LYS 41 lone 4 57 - 7 - ~2064=1 HE2 LYS 94 - HG3 LYS 45 lone 4 48 - 7 - HE2 LYS 44 - HG2 LYS 63 lone 4 76 - 4 - HE2 LYS 44 - HG3 LYS 63 lone 4 76 - 4 - HE3 LYS 44 - HG2 LYS 63 lone 3 75 - 4 - HE3 LYS 44 - HG3 LYS 63 lone 3 75 - 4 - HE3 LYS 94 - HG3 LYS 45 lone 3 41 - 7 - HE2 LYS 61 - HG3 LYS 45 lone 3 37 - 8 - HE3 LYS 63 - HG3 LYS 45 lone 3 47 - 5 - HE2 LYS 63 - HG3 LYS 45 lone 2 45 - 5 - HE2 LYS 35 - HG3 LYS 63 lone 2 71 - 2 - HE2 LYS 35 - HG2 LYS 63 lone 2 71 - 2 - HE3 LYS 35 - HG3 LYS 63 lone 2 71 - 2 - HE3 LYS 35 - HG2 LYS 63 lone 2 71 - 2 - HE3 LYS 45 - HG2 LYS 41 lone 2 53 - 3 - HE2 LYS 45 - HG2 LYS 41 lone 2 53 - 3 - HE2 LYS 61 - HG2 LYS 41 lone 1 27 - 4 - HE2 LYS 44 - HG2 LYS 41 lone 1 48 - 2 - HE3 LYS 44 - HG2 LYS 41 lone 1 47 - 2 - HE2 LYS 94 - HG2 LYS 41 lone 1 36 - 2 - HE3 LYS 94 - HG2 LYS 41 lone 1 30 - 2 - HE3 LYS 35 - HG3 LYS 45 lone 1 59 - 1 - HE2 LYS 35 - HG3 LYS 45 lone 1 59 - 1 - HE3 LYS 35 - HG2 LYS 41 lone 0 44 - 1 - HE2 LYS 35 - HG2 LYS 41 lone 0 44 - 1 - HE3 LYS 63 - HG2 LYS 41 lone 0 35 - 1 - HE2 LYS 63 - HG2 LYS 41 lone 0 33 - 1 - Peak 2804 from cnoeabs.peaks (7.76, 1.68, 28.77 ppm; 4.91 A): 2 out of 22 assignments used, quality = 0.99: * H LYS 61 + HD2 LYS 61 OK 91 100 - 91 - 6.0=55, 865/3.9=21...(21) H LYS 61 + HD3 LYS 61 OK 91 100 - 91 - 6.0=55, 865/3.9=21...(21) H LYS 61 - HD3 LYS 63 OK 31 100 - 32 - 4.5/4250=5, 2794/3.0=4...(14) H LYS 61 - HD2 LYS 44 OK 18 85 - 21 - 2834/3.0=3, 872/3.0=3...(8) H LYS 61 - HD3 LYS 44 OK 18 85 - 21 - 2834/3.0=3, 872/3.0=3...(8) H LYS 61 - HD3 LYS 94 OK 16 97 - 16 - 4.5/4250=2, 865/3.4=1...(6) H LYS 61 - HD2 LYS 94 OK 16 97 - 16 - 4.5/4250=2, 865/3.4=1...(6) H ASN 91 - HD2 LYS 61 OK 12 99 - 12 - 2784/3.0=2, 2784/3.0=2 H ASN 91 - HD3 LYS 61 OK 12 99 - 12 - 2784/3.0=2, 2784/3.0=2 H ASN 91 - HD2 LYS 44 poor 9 83 - 10 - 6750/3.0=3, 6762/5.4=1 H ASN 91 - HD3 LYS 44 poor 9 83 - 10 - 6750/3.0=3, 6762/5.4=1 H ASN 91 - HD3 LYS 63 lone 8 98 - 8 - 6748/3.9=1, 6750/1.8=1 H LYS 61 - HD3 LYS 45 lone 6 63 - 9 - 2834/3.0=1, 2834/3.0=1 H ASN 91 - HD2 LYS 77 poor 6 57 - 10 - 6750/3.0=3, 6750/3.0=3 H LYS 61 - HD2 LYS 45 lone 5 58 - 9 - 2834/3.0=1, 2834/3.0=1 H LYS 61 - HD2 LYS 77 lone 5 60 - 7 - 5941/3.0=1, 5941/3.0=1 H ASN 91 - HD3 LYS 94 lone 3 95 - 4 - H ASN 91 - HD2 LYS 94 lone 3 95 - 4 - H LYS 61 - HG12 ILE 27 lone 2 64 - 3 - H ASN 91 - HG12 ILE 27 lone 2 61 - 3 - H ASN 91 - HD3 LYS 45 lone 2 61 - 3 - H ASN 91 - HD2 LYS 45 lone 2 55 - 3 - Peak 2805 from cnoeabs.peaks (4.35, 1.68, 28.77 ppm; 4.00 A): 4 out of 88 assignments used, quality = 1.00: HA LYS 61 + HD3 LYS 61 OK 90 100 - 90 - 4.8=59, 2758/3.0=9...(31) * HA LYS 61 + HD2 LYS 61 OK 90 100 - 90 - 4.8=59, 2758/3.0=9...(31) HA LEU 62 + HD2 LYS 61 OK 51 97 - 53 - 3.0/4250=8, ~4251=5...(17) HA LEU 62 + HD3 LYS 61 OK 51 97 - 53 - 3.0/4250=8, ~4251=5...(17) HA LEU 62 - HD3 LYS 63 OK 28 96 - 29 - 282/5.9=10, 3.0/4250=4...(10) HA LYS 61 - HD3 LYS 63 OK 25 100 - 25 - 282/5.9=4, 3.6/4250=4...(9) HB THR 59 - HD3 LYS 61 OK 25 60 - 42 - 2.1/5920=6, 5911/3.0=6...(12) HB THR 59 - HD2 LYS 61 OK 25 60 - 42 - 2.1/5920=6, 5911/3.0=6...(12) HA LYS 61 - HD2 LYS 44 OK 19 85 - 23 - 7204/3.0=2, 7204/3.0=2...(7) HA LYS 61 - HD3 LYS 44 OK 19 85 - 23 - 7204/3.0=2, 7204/3.0=2...(7) HA LEU 62 - HD3 LYS 94 OK 19 91 - 20 - 3.6/887=2, 3.0/4250=2...(7) HA LEU 62 - HD2 LYS 94 OK 19 91 - 20 - 3.6/887=2, 3.0/4250=2...(7) HA LYS 61 - HD2 LYS 94 OK 14 97 - 14 - 3.6/4250=2, 2.9/870=1 HA LYS 61 - HD3 LYS 94 OK 14 97 - 14 - 3.6/4250=2, 2.9/870=1 HB THR 59 - HD3 LYS 63 poor 8 59 - 13 - 2.1/5920=2, 5911/3.0=2...(8) HA PHE 34 - HD3 LYS 63 lone 6 82 - 8 - ~2936=2 HA LYS 61 - HD3 LYS 45 lone 6 63 - 9 - HA THR 42 - HD2 LYS 44 poor 5 47 - 12 - 3.2/5493=3, ~5493=2...(5) HA THR 42 - HD3 LYS 44 poor 5 47 - 12 - 3.2/5493=3, ~5493=2...(5) HA LEU 62 - HD3 LYS 44 lone 5 79 - 6 - HA LEU 62 - HD2 LYS 44 lone 5 79 - 6 - HA LYS 61 - HD2 LYS 45 lone 5 58 - 9 - HB THR 59 - HD2 LYS 94 lone 5 55 - 9 - 2.1/5920=1 HB THR 59 - HD3 LYS 94 lone 5 55 - 9 - 2.1/5920=1 HA PHE 34 - HD3 LYS 94 lone 5 77 - 6 - 3.5/731=2 HA PHE 34 - HD2 LYS 94 lone 5 77 - 6 - 3.5/731=2 HA THR 42 - HD3 LYS 94 lone 4 57 - 7 - 3.2/5493=1, 3.0/5489=1 HA THR 42 - HD2 LYS 94 lone 4 57 - 7 - 3.2/5493=1, 3.0/5489=1 HA PHE 34 - HD3 LYS 61 lone 4 83 - 5 - 3.5/731=1 HA PHE 34 - HD2 LYS 61 lone 4 83 - 5 - 3.5/731=1 HA LEU 62 - HD3 LYS 45 lone 4 58 - 7 - HA LEU 62 - HD2 LYS 45 lone 4 52 - 7 - HA PHE 34 - HG12 ILE 27 lone 4 46 - 8 - ~4932=2, 3.7/5203=1 HA TRP 82 - HD2 LYS 61 lone 3 97 - 3 - HA TRP 82 - HD3 LYS 61 lone 3 97 - 3 - HA THR 42 - HD3 LYS 61 lone 3 63 - 5 - HA THR 42 - HD2 LYS 61 lone 3 63 - 5 - HB THR 59 - HD2 LYS 44 lone 3 45 - 6 - HB THR 59 - HD3 LYS 44 lone 3 45 - 6 - HA TRP 82 - HD3 LYS 45 lone 3 59 - 4 - ~6569=1 HA PHE 34 - HD2 LYS 44 lone 2 64 - 4 - 3.5/731=1 HA TRP 82 - HD3 LYS 63 lone 2 97 - 2 - HA PHE 34 - HD3 LYS 44 lone 2 64 - 4 - 3.5/731=1 HA TRP 82 - HD2 LYS 45 lone 2 53 - 4 - ~6569=1 HA ALA 98 - HG12 ILE 27 lone 2 48 - 5 - ~7014=2 HA ALA 98 - HD3 LYS 63 lone 2 84 - 2 - HA TRP 82 - HD3 LYS 94 lone 2 92 - 2 - 3.6/6602=1 HA TRP 82 - HD2 LYS 94 lone 2 92 - 2 - 3.6/6602=1 HA THR 42 - HD3 LYS 45 lone 2 33 - 5 - ~178=1, ~179=1 HA LYS 61 - HD2 LYS 77 lone 2 60 - 3 - HA LEU 62 - HD2 LYS 77 lone 2 54 - 3 - HA THR 42 - HG12 ILE 27 lone 2 33 - 5 - 3.2/5493=1, 3.6/4096=1 HA TRP 82 - HG12 ILE 27 lone 2 59 - 3 - 3.6/6602=1 HA ALA 98 - HD2 LYS 94 lone 2 79 - 2 - HA ALA 98 - HD3 LYS 94 lone 2 79 - 2 - HA THR 42 - HD2 LYS 45 lone 2 29 - 5 - ~178=1, ~179=1 HA SER 11 - HG12 ILE 27 lone 1 62 - 2 - HA THR 42 - HD3 LYS 63 lone 1 62 - 2 - HA TRP 82 - HD2 LYS 44 lone 1 80 - 2 - HA TRP 82 - HD3 LYS 44 lone 1 80 - 2 - HA ALA 98 - HD3 LYS 61 lone 1 85 - 1 - HA ALA 98 - HD2 LYS 61 lone 1 85 - 1 - HA ALA 98 - HD2 LYS 77 lone 1 44 - 3 - ~7010=2 HA TRP 82 - HD2 LYS 77 lone 1 55 - 2 - HA SER 11 - HD3 LYS 63 lone 1 99 - 1 - HA SER 11 - HD3 LYS 61 lone 1 99 - 1 - HA SER 11 - HD2 LYS 61 lone 1 99 - 1 - HB THR 59 - HD3 LYS 45 lone 1 31 - 3 - HA LYS 61 - HG12 ILE 27 lone 1 64 - 1 - HA LEU 62 - HG12 ILE 27 lone 1 58 - 2 - HA ALA 98 - HD2 LYS 44 lone 1 66 - 1 - HA ALA 98 - HD3 LYS 44 lone 1 66 - 1 - HA SER 11 - HD2 LYS 94 lone 1 95 - 1 - HA SER 11 - HD3 LYS 94 lone 1 95 - 1 - HB THR 59 - HD2 LYS 45 lone 1 28 - 3 - HA SER 11 - HD2 LYS 44 lone 1 84 - 1 - HA SER 11 - HD3 LYS 44 lone 1 83 - 1 - HA SER 11 - HD2 LYS 77 lone 1 58 - 1 - HA SER 11 - HD3 LYS 45 lone 1 62 - 1 - HA PHE 34 - HD3 LYS 45 lone 1 46 - 1 - HA PHE 34 - HD2 LYS 77 lone 1 43 - 1 - HA SER 11 - HD2 LYS 45 lone 0 56 - 1 - HA PHE 34 - HD2 LYS 45 lone 0 41 - 1 - HA ALA 98 - HD3 LYS 45 lone 0 47 - 1 - HB THR 59 - HG12 ILE 27 lone 0 31 - 1 - HA ALA 98 - HD2 LYS 45 lone 0 43 - 1 - HA THR 42 - HD2 LYS 77 lone 0 30 - 1 - HB THR 59 - HD2 LYS 77 lone 0 29 - 1 - Peak 2806 from cnoeabs.peaks (1.84, 1.68, 28.77 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.52: HB ILE 27 + HG12 ILE 27 OK 33 33 - 100 - 2.8=100 HD3 LYS 77 + HD2 LYS 77 OK 29 29 - 100 - 1.8=100 Reference assignment not found: HB2 LYS 61 - HD2 LYS 61 Peak 2807 from cnoeabs.peaks (1.66, 1.68, 28.77 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD2 LYS 94 + HD2 LYS 94 OK 79 79 - 100 HD3 LYS 94 + HD3 LYS 94 OK 79 79 - 100 HD3 LYS 61 + HD3 LYS 61 OK 76 76 - 100 HD2 LYS 61 + HD2 LYS 61 OK 76 76 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HG12 ILE 27 + HG12 ILE 27 OK 64 64 - 100 HD2 LYS 44 + HD2 LYS 44 OK 58 58 - 100 HD3 LYS 44 + HD3 LYS 44 OK 56 56 - 100 Reference assignment not found: HB3 LYS 61 - HD2 LYS 61 Peak 2808 from cnoeabs.peaks (1.42, 1.68, 28.77 ppm; 2.65 A): 8 out of 110 assignments used, quality = 1.00: HG3 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG3 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) * HG2 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 63 + HD3 LYS 63 OK 82 93 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 63 + HD3 LYS 63 OK 82 93 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 94 + HD2 LYS 94 OK 66 74 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 94 + HD3 LYS 94 OK 66 74 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 45 - HD3 LYS 45 OK 42 49 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 45 - HD2 LYS 45 OK 38 44 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 63 - HD2 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG3 LYS 63 - HD3 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD2 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG2 LYS 63 - HD3 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD3 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD2 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG13 ILE 51 - HG12 ILE 27 OK 15 56 - 28 - 2.1/5746=3, ~5748=3...(15) HG2 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 94 - HD3 LYS 63 OK 14 79 - 18 - 2940/1.8=2, 3890=2...(5) QB ALA 78 - HD2 LYS 77 OK 12 40 - 31 - 2.9/355=3, 6444/3.7=3...(17) HG3 LYS 94 - HD2 LYS 61 OK 12 81 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 94 - HD3 LYS 61 OK 12 81 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG3 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HD3 LYS 86 - HD2 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HD3 LYS 86 - HD3 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HG3 LYS 45 - HD2 LYS 94 lone 7 81 - 9 - HG3 LYS 45 - HD3 LYS 94 lone 7 81 - 9 - HG3 LYS 45 - HD3 LYS 61 lone 7 87 - 8 - HG3 LYS 45 - HD2 LYS 61 lone 7 87 - 8 - QB ALA 78 - HD2 LYS 44 poor 7 60 - 11 - 6441/1.8=1, 6441=1 QB ALA 78 - HD3 LYS 44 poor 7 60 - 11 - 6441/1.8=1, 6441=1 HG3 LYS 45 - HD2 LYS 44 lone 7 68 - 10 - HG3 LYS 45 - HD3 LYS 44 lone 6 68 - 10 - HG3 LYS 94 - HD2 LYS 44 lone 5 62 - 9 - HG3 LYS 94 - HD3 LYS 44 lone 5 62 - 9 - HG3 LYS 63 - HD3 LYS 45 lone 5 55 - 10 - HG2 LYS 63 - HD3 LYS 45 lone 5 55 - 10 - HG3 LYS 94 - HD3 LYS 45 poor 5 44 - 12 - 3891=1 HG2 LYS 63 - HD2 LYS 45 lone 5 50 - 10 - HG3 LYS 63 - HD2 LYS 45 lone 5 50 - 10 - HG3 LYS 94 - HD2 LYS 45 poor 5 40 - 12 - HG2 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG3 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG2 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 63 - HD2 LYS 77 lone 4 52 - 8 - HG2 LYS 63 - HD2 LYS 77 lone 4 52 - 8 - QB ALA 78 - HD3 LYS 61 lone 4 78 - 5 - QB ALA 78 - HD2 LYS 61 lone 4 78 - 5 - HG13 ILE 51 - HD3 LYS 94 lone 4 89 - 4 - HG13 ILE 51 - HD2 LYS 94 lone 4 89 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 76 - 4 - HG3 LYS 63 - HD2 LYS 44 lone 3 76 - 4 - HG2 LYS 63 - HD3 LYS 44 lone 3 76 - 4 - HG3 LYS 63 - HD3 LYS 44 lone 3 76 - 4 - HG2 LYS 41 - HD3 LYS 61 lone 3 76 - 4 - HG2 LYS 41 - HD2 LYS 61 lone 3 76 - 4 - HD3 LYS 86 - HD3 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD2 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 2 93 - 3 - HG3 LYS 45 - HD3 LYS 63 lone 2 86 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 76 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 76 - 3 - HG2 LYS 41 - HD3 LYS 94 lone 2 70 - 3 - HG2 LYS 41 - HD2 LYS 94 lone 2 70 - 3 - QB ALA 78 - HD3 LYS 45 lone 2 43 - 5 - QB ALA 78 - HD3 LYS 63 lone 2 77 - 2 - HD3 LYS 86 - HD2 LYS 44 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 2 85 - 2 - QB ALA 78 - HD2 LYS 45 lone 2 38 - 5 - HG13 ILE 51 - HD2 LYS 61 lone 2 95 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 2 95 - 2 - HG2 LYS 41 - HD3 LYS 45 lone 2 41 - 4 - HD3 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - QB ALA 78 - HD3 LYS 94 lone 1 72 - 2 - QB ALA 78 - HD2 LYS 94 lone 1 72 - 2 - HG2 LYS 41 - HD2 LYS 45 lone 1 37 - 4 - HD3 LYS 86 - HD3 LYS 45 lone 1 63 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 1 58 - 2 - HG2 LYS 41 - HD3 LYS 44 lone 1 58 - 2 - HD3 LYS 86 - HD2 LYS 45 lone 1 58 - 2 - QB ALA 78 - HG12 ILE 27 lone 1 43 - 2 - HG2 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG3 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG2 LYS 41 - HG12 ILE 27 lone 1 41 - 2 - HG13 ILE 51 - HD2 LYS 77 lone 1 52 - 1 - HG3 LYS 45 - HD2 LYS 77 lone 1 46 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 75 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 0 44 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 55 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 56 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 56 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 60 - 1 - HG2 LYS 41 - HD2 LYS 77 lone 0 38 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 50 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 45 - HG12 ILE 27 lone 0 49 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 41 - 1 - Peak 2809 from cnoeabs.peaks (1.42, 1.68, 28.77 ppm; 2.65 A): 8 out of 110 assignments used, quality = 1.00: * HG3 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG3 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 63 + HD3 LYS 63 OK 83 95 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 63 + HD3 LYS 63 OK 83 95 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 94 + HD2 LYS 94 OK 68 77 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 94 + HD3 LYS 94 OK 68 77 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 45 - HD3 LYS 45 OK 40 47 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 45 - HD2 LYS 45 OK 36 43 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 63 - HD2 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG3 LYS 63 - HD3 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD2 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD3 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD2 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG2 LYS 63 - HD3 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD3 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD2 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG13 ILE 51 - HG12 ILE 27 OK 16 57 - 28 - 2.1/5746=3, ~5748=3...(15) HG2 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2941/1.8=2 HG3 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 94 - HD3 LYS 63 OK 14 82 - 18 - 3890=2, 2940/1.8=2...(5) HG3 LYS 94 - HD2 LYS 61 OK 13 83 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 94 - HD3 LYS 61 OK 13 83 - 15 - 3890=2, 1.8/3880=1...(4) QB ALA 78 - HD2 LYS 77 OK 12 38 - 31 - 2.9/355=3, 6444/3.7=3...(17) HG3 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG3 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HD3 LYS 86 - HD2 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HD3 LYS 86 - HD3 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HG3 LYS 45 - HD3 LYS 94 lone 7 79 - 9 - HG3 LYS 45 - HD2 LYS 94 lone 7 79 - 9 - HG3 LYS 45 - HD3 LYS 61 lone 7 85 - 8 - HG3 LYS 45 - HD2 LYS 61 lone 7 85 - 8 - QB ALA 78 - HD2 LYS 44 poor 7 58 - 11 - 6441/1.8=1, 6441=1 QB ALA 78 - HD3 LYS 44 poor 7 58 - 11 - 6441/1.8=1, 6441=1 HG3 LYS 45 - HD2 LYS 44 lone 6 66 - 10 - HG3 LYS 45 - HD3 LYS 44 lone 6 66 - 10 - HG3 LYS 94 - HD2 LYS 44 lone 6 64 - 9 - HG3 LYS 94 - HD3 LYS 44 lone 6 64 - 9 - HG3 LYS 94 - HD3 LYS 45 poor 6 46 - 12 - 3890=1 HG3 LYS 63 - HD3 LYS 45 lone 6 57 - 10 - HG2 LYS 63 - HD3 LYS 45 lone 6 57 - 10 - HG3 LYS 94 - HD2 LYS 45 poor 5 41 - 12 - HG3 LYS 63 - HD2 LYS 45 lone 5 51 - 10 - HG2 LYS 63 - HD2 LYS 45 lone 5 51 - 10 - HG2 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG3 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG2 LYS 63 - HD2 LYS 77 lone 4 53 - 8 - HG3 LYS 63 - HD2 LYS 77 lone 4 53 - 8 - HG2 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG13 ILE 51 - HD2 LYS 94 lone 4 90 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 90 - 4 - QB ALA 78 - HD3 LYS 61 lone 4 76 - 5 - QB ALA 78 - HD2 LYS 61 lone 4 76 - 5 - HG3 LYS 63 - HD2 LYS 44 lone 3 78 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 78 - 4 - HG2 LYS 63 - HD3 LYS 44 lone 3 78 - 4 - HG3 LYS 63 - HD3 LYS 44 lone 3 78 - 4 - HD3 LYS 86 - HD3 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD2 LYS 61 lone 3 100 - 3 - HG2 LYS 41 - HD3 LYS 61 lone 3 73 - 4 - HG2 LYS 41 - HD2 LYS 61 lone 3 73 - 4 - HD3 LYS 86 - HD3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 3 95 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 78 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 78 - 3 - HG3 LYS 45 - HD3 LYS 63 lone 2 84 - 3 - HG2 LYS 41 - HD2 LYS 94 lone 2 67 - 3 - HG2 LYS 41 - HD3 LYS 94 lone 2 67 - 3 - HD3 LYS 86 - HD2 LYS 44 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 2 85 - 2 - QB ALA 78 - HD3 LYS 45 lone 2 41 - 5 - QB ALA 78 - HD3 LYS 63 lone 2 75 - 2 - QB ALA 78 - HD2 LYS 45 lone 2 37 - 5 - HG13 ILE 51 - HD3 LYS 61 lone 2 96 - 2 - HG13 ILE 51 - HD2 LYS 61 lone 2 96 - 2 - HG2 LYS 41 - HD3 LYS 45 lone 2 39 - 4 - HD3 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - QB ALA 78 - HD3 LYS 94 lone 1 70 - 2 - QB ALA 78 - HD2 LYS 94 lone 1 70 - 2 - HG2 LYS 41 - HD2 LYS 45 lone 1 35 - 4 - HD3 LYS 86 - HD3 LYS 45 lone 1 63 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 1 56 - 2 - HG2 LYS 41 - HD3 LYS 44 lone 1 56 - 2 - HD3 LYS 86 - HD2 LYS 45 lone 1 58 - 2 - HG2 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG3 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - QB ALA 78 - HG12 ILE 27 lone 1 41 - 2 - HG13 ILE 51 - HD2 LYS 77 lone 1 53 - 1 - HG2 LYS 41 - HG12 ILE 27 lone 1 39 - 2 - HG3 LYS 45 - HD2 LYS 77 lone 1 44 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 46 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 57 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 57 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 57 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 72 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 60 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 51 - 1 - HG2 LYS 41 - HD2 LYS 77 lone 0 37 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 43 - 1 - HG3 LYS 45 - HG12 ILE 27 lone 0 48 - 1 - Peak 2810 from cnoeabs.peaks (1.68, 1.68, 28.77 ppm; diagonal): 8 out of 11 assignments used, quality = 1.00: * HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD3 LYS 63 + HD3 LYS 63 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD2 LYS 44 + HD2 LYS 44 OK 85 85 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD3 LYS 45 + HD3 LYS 45 OK 46 46 - 100 HD2 LYS 77 - HD2 LYS 77 OK 41 41 - 100 HG12 ILE 27 - HG12 ILE 27 OK 41 41 - 100 HD2 LYS 45 - HD2 LYS 45 OK 38 38 - 100 Peak 2811 from cnoeabs.peaks (1.68, 1.68, 28.77 ppm; diagonal): 8 out of 11 assignments used, quality = 1.00: HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD3 LYS 63 + HD3 LYS 63 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD2 LYS 44 + HD2 LYS 44 OK 85 85 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD3 LYS 45 + HD3 LYS 45 OK 46 46 - 100 HD2 LYS 77 - HD2 LYS 77 OK 41 41 - 100 HG12 ILE 27 - HG12 ILE 27 OK 41 41 - 100 HD2 LYS 45 - HD2 LYS 45 OK 38 38 - 100 Reference assignment not found: HD3 LYS 61 - HD2 LYS 61 Peak 2812 from cnoeabs.peaks (3.03, 1.68, 28.77 ppm; 2.69 A): 8 out of 88 assignments used, quality = 1.00: HE2 LYS 61 + HD3 LYS 61 OK 86 100 - 86 - 2.9=77, 2831/1.8=3...(11) * HE2 LYS 61 + HD2 LYS 61 OK 86 100 - 86 - 2.9=77, 2831/1.8=3...(11) HE3 LYS 44 + HD2 LYS 44 OK 64 75 - 86 - 3.0=75, 3.9/2198=4...(27) HE3 LYS 44 + HD3 LYS 44 OK 64 75 - 86 - 3.0=75, 3.9/2198=4...(27) HE2 LYS 44 + HD2 LYS 44 OK 63 73 - 86 - 3.0=75, 3.9/2198=4...(27) HE2 LYS 44 + HD3 LYS 44 OK 63 73 - 86 - 3.0=75, 3.9/2198=4...(27) HE3 LYS 61 + HD2 LYS 61 OK 51 60 - 85 - 2.9=77, 1.8/2831=3...(18) HE3 LYS 61 + HD3 LYS 61 OK 51 60 - 85 - 2.9=77, 1.8/2831=3...(18) HE3 LYS 44 - HD3 LYS 61 OK 12 93 - 13 - 2782/3.9=1 HE3 LYS 44 - HD2 LYS 61 OK 12 93 - 13 - 2782/3.9=1 HE2 LYS 44 - HD2 LYS 61 OK 11 92 - 13 - HE2 LYS 44 - HD3 LYS 61 OK 11 92 - 13 - HE2 LYS 61 - HD2 LYS 44 OK 11 85 - 13 - 2201/3.0=1 HE2 LYS 61 - HD3 LYS 44 OK 11 85 - 13 - 2201/3.0=1 HE2 LYS 61 - HD2 LYS 94 OK 10 97 - 11 - HE2 LYS 61 - HD3 LYS 94 OK 10 97 - 11 - HE2 LYS 35 - HD2 LYS 61 lone 7 96 - 8 - HE2 LYS 35 - HD3 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD2 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD3 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD2 LYS 44 lone 7 78 - 9 - HE2 LYS 35 - HD2 LYS 44 lone 7 78 - 9 - HE3 LYS 35 - HD3 LYS 44 lone 7 78 - 9 - HE2 LYS 35 - HD3 LYS 44 lone 7 78 - 9 - HE3 LYS 61 - HD2 LYS 44 poor 6 45 - 13 - 2201/3.0=1 HE3 LYS 61 - HD3 LYS 44 poor 6 45 - 13 - 2201/3.0=1 HE2 LYS 61 - HD3 LYS 63 lone 6 100 - 6 - HE3 LYS 44 - HD3 LYS 94 lone 5 88 - 6 - HE3 LYS 44 - HD2 LYS 94 lone 5 88 - 6 - HE2 LYS 44 - HD3 LYS 94 lone 5 86 - 6 - HE2 LYS 44 - HD2 LYS 94 lone 5 86 - 6 - HE3 LYS 61 - HD3 LYS 94 lone 4 55 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 4 55 - 8 - HB2 SER 75 - HD3 LYS 61 lone 4 100 - 4 - HB2 SER 75 - HD2 LYS 61 lone 4 100 - 4 - HE3 LYS 44 - HD3 LYS 45 lone 3 54 - 6 - HE2 LYS 61 - HD3 LYS 45 lone 3 63 - 5 - HE2 LYS 44 - HD3 LYS 45 lone 3 53 - 6 - HE3 LYS 44 - HD2 LYS 45 lone 3 49 - 6 - HE2 LYS 61 - HD2 LYS 45 lone 3 58 - 5 - HE2 LYS 44 - HD2 LYS 45 lone 3 48 - 6 - HE2 LYS 35 - HD2 LYS 94 lone 2 90 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 2 90 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 2 90 - 3 - HE3 LYS 35 - HD2 LYS 94 lone 2 90 - 3 - HE3 LYS 61 - HD3 LYS 63 lone 3 59 - 4 - HE2 LYS 41 - HD2 LYS 61 lone 2 87 - 2 - HE2 LYS 41 - HD3 LYS 61 lone 2 87 - 2 - HE2 LYS 41 - HD3 LYS 45 lone 2 49 - 4 - HE2 LYS 41 - HD2 LYS 45 lone 2 44 - 4 - HE3 LYS 44 - HD3 LYS 63 lone 2 92 - 2 - HE2 LYS 41 - HD2 LYS 94 lone 2 81 - 2 - HE2 LYS 41 - HD3 LYS 94 lone 2 81 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 91 - 2 - HE2 LYS 41 - HD3 LYS 44 lone 1 68 - 2 - HE2 LYS 41 - HD2 LYS 44 lone 1 68 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 1 31 - 4 - HE2 LYS 35 - HD3 LYS 63 lone 1 95 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 95 - 1 - HE3 LYS 61 - HD2 LYS 45 lone 1 28 - 4 - HB2 SER 75 - HD3 LYS 63 lone 1 99 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 51 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 50 - 2 - HE2 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 55 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 84 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 53 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 84 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 62 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 57 - 1 - HB2 SER 75 - HD3 LYS 94 lone 0 96 - 0 - HB2 SER 75 - HD2 LYS 94 lone 0 96 - 0 - HE3 LYS 35 - HD3 LYS 45 lone 0 57 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 57 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 53 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 53 - 1 - HE2 LYS 41 - HD3 LYS 63 lone 0 86 - 0 - HE2 LYS 35 - HD2 LYS 45 lone 0 51 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 51 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 57 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 57 - 1 - HB2 SER 75 - HD2 LYS 77 lone 0 58 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 64 - 0 - HE3 LYS 61 - HD2 LYS 77 lone 0 29 - 1 - HE2 LYS 41 - HG12 ILE 27 lone 0 49 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 63 - 0 - HE2 LYS 41 - HD2 LYS 77 lone 0 46 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 31 - 0 - Peak 2813 from cnoeabs.peaks (3.00, 1.68, 28.77 ppm; 2.54 A): 14 out of 132 assignments used, quality = 1.00: HE3 LYS 61 + HD3 LYS 61 OK 76 100 - 76 - 2.9=65, 1.8/2831=3...(16) * HE3 LYS 61 + HD2 LYS 61 OK 76 100 - 76 - 2.9=65, 1.8/2831=3...(16) HE2 LYS 44 + HD2 LYS 44 OK 58 75 - 78 - 3.0=63, 3.9/2198=4...(21) HE2 LYS 44 + HD3 LYS 44 OK 58 75 - 78 - 3.0=63, 3.9/2198=4...(21) HE3 LYS 44 + HD2 LYS 44 OK 57 73 - 78 - 3.0=63, 3.9/2198=4...(20) HE3 LYS 44 + HD3 LYS 44 OK 57 73 - 78 - 3.0=63, 3.9/2198=4...(21) HE2 LYS 94 + HD3 LYS 94 OK 53 70 - 76 - 3.0=63, 3.7/3890=4...(17) HE2 LYS 94 + HD2 LYS 94 OK 53 70 - 76 - 3.0=63, 3.7/3890=4...(17) HE3 LYS 63 + HD3 LYS 63 OK 53 72 - 74 - 3.0=64, 1.8/2963=2...(10) HE2 LYS 63 + HD3 LYS 63 OK 51 70 - 74 - 3.0=64, 1.8/2963=2...(10) HE3 LYS 94 + HD3 LYS 94 OK 46 60 - 77 - 3.0=63, 3.7/3891=4...(17) HE3 LYS 94 + HD2 LYS 94 OK 46 60 - 77 - 3.0=63, 3.7/3891=4...(17) HE2 LYS 61 + HD3 LYS 61 OK 46 60 - 76 - 2.9=65, 1871/1.8=2...(8) HE2 LYS 61 + HD2 LYS 61 OK 46 60 - 76 - 2.9=65, 1871/1.8=2...(8) HE3 LYS 45 - HD3 LYS 45 OK 44 60 - 74 - 3.0=62, 3.5/2284=4...(15) HE2 LYS 45 - HD3 LYS 45 OK 44 60 - 74 - 3.0=62, 3.5/2284=4...(15) HE2 LYS 45 - HD2 LYS 45 OK 40 54 - 74 - 3.0=62, 3.5/2284=4...(15) HE3 LYS 45 - HD2 LYS 45 OK 40 54 - 74 - 3.0=62, 3.5/2284=4...(15) HE3 LYS 63 - HD3 LYS 94 OK 13 67 - 19 - HE3 LYS 63 - HD2 LYS 94 OK 13 67 - 19 - HE2 LYS 63 - HD2 LYS 94 OK 12 65 - 19 - HE2 LYS 63 - HD3 LYS 94 OK 12 65 - 19 - HE3 LYS 61 - HD3 LYS 44 poor 10 85 - 12 - HE3 LYS 61 - HD2 LYS 44 poor 10 85 - 12 - HE2 LYS 44 - HD2 LYS 61 lone 9 93 - 10 - HE2 LYS 44 - HD3 LYS 61 lone 9 93 - 10 - HE3 LYS 44 - HD2 LYS 61 lone 9 92 - 10 - HE3 LYS 44 - HD3 LYS 61 lone 9 92 - 10 - HE3 LYS 45 - HD2 LYS 94 lone 9 93 - 9 - HE3 LYS 45 - HD3 LYS 94 lone 9 93 - 9 - HE2 LYS 45 - HD3 LYS 94 lone 9 93 - 9 - HE2 LYS 45 - HD2 LYS 94 lone 9 93 - 9 - HE3 LYS 63 - HD2 LYS 61 poor 8 73 - 11 - HE3 LYS 63 - HD3 LYS 61 poor 8 73 - 11 - HE2 LYS 63 - HD2 LYS 61 poor 7 71 - 11 - HE2 LYS 63 - HD3 LYS 61 poor 7 71 - 11 - HE3 LYS 61 - HD3 LYS 94 lone 7 97 - 7 - HE3 LYS 61 - HD2 LYS 94 lone 7 97 - 7 - HE2 LYS 94 - HD3 LYS 63 lone 7 75 - 9 - HE3 LYS 94 - HD3 LYS 63 lone 6 64 - 10 - HE2 LYS 45 - HD3 LYS 44 lone 6 81 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 61 lone 6 98 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 6 98 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 6 98 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 6 98 - 6 - HE2 LYS 35 - HD3 LYS 61 lone 5 89 - 6 - HE3 LYS 35 - HD3 LYS 61 lone 5 89 - 6 - HE3 LYS 35 - HD2 LYS 61 lone 5 89 - 6 - HE2 LYS 35 - HD2 LYS 61 lone 5 89 - 6 - HE2 LYS 35 - HD2 LYS 44 lone 5 70 - 7 - HE3 LYS 35 - HD2 LYS 44 lone 5 70 - 7 - HE2 LYS 35 - HD3 LYS 44 lone 5 70 - 7 - HE3 LYS 35 - HD3 LYS 44 lone 5 70 - 7 - HE2 LYS 61 - HD2 LYS 44 poor 5 45 - 11 - 2200/3.0=1 HE2 LYS 61 - HD3 LYS 44 poor 5 45 - 11 - 2200/3.0=1 HE2 LYS 94 - HD2 LYS 61 lone 5 76 - 6 - HE2 LYS 94 - HD3 LYS 61 lone 5 76 - 6 - HE2 LYS 44 - HD3 LYS 94 lone 5 88 - 5 - HE2 LYS 44 - HD2 LYS 94 lone 5 88 - 5 - HE3 LYS 44 - HD3 LYS 94 lone 4 86 - 5 - HE3 LYS 44 - HD2 LYS 94 lone 4 86 - 5 - HE2 LYS 61 - HD2 LYS 94 lone 4 55 - 8 - HE2 LYS 61 - HD3 LYS 94 lone 4 55 - 8 - HE3 LYS 61 - HD3 LYS 63 lone 4 100 - 4 - HE3 LYS 94 - HD2 LYS 61 lone 4 65 - 6 - HE3 LYS 94 - HD3 LYS 61 lone 4 65 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 4 97 - 4 - HE2 LYS 45 - HD3 LYS 63 lone 4 97 - 4 - HE2 LYS 44 - HD3 LYS 45 lone 3 54 - 6 - HE3 LYS 44 - HD3 LYS 45 lone 3 53 - 6 - HE3 LYS 61 - HD3 LYS 45 lone 3 63 - 4 - HE2 LYS 44 - HD2 LYS 45 lone 3 49 - 6 - HE3 LYS 44 - HD2 LYS 45 lone 3 48 - 6 - HE3 LYS 61 - HD2 LYS 45 lone 2 58 - 4 - HE2 LYS 61 - HD3 LYS 63 lone 2 59 - 4 - HE2 LYS 35 - HD3 LYS 94 lone 2 83 - 2 - HE2 LYS 35 - HD2 LYS 94 lone 2 83 - 2 - HE3 LYS 35 - HD2 LYS 94 lone 2 83 - 2 - HE3 LYS 35 - HD3 LYS 94 lone 2 83 - 2 - HE2 LYS 94 - HD2 LYS 44 lone 2 58 - 3 - HE2 LYS 94 - HD3 LYS 44 lone 2 58 - 3 - HE2 LYS 94 - HD3 LYS 45 lone 2 41 - 4 - HE3 LYS 94 - HD2 LYS 44 lone 2 49 - 3 - HE3 LYS 94 - HD3 LYS 44 lone 2 49 - 3 - HE2 LYS 94 - HD2 LYS 45 lone 2 37 - 4 - HE3 LYS 63 - HD3 LYS 45 lone 2 39 - 4 - HE3 LYS 94 - HD3 LYS 45 lone 2 34 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 1 38 - 4 - HE2 LYS 44 - HD3 LYS 63 lone 1 92 - 1 - HE3 LYS 44 - HD3 LYS 63 lone 1 91 - 1 - HE3 LYS 63 - HD2 LYS 45 lone 1 35 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 1 34 - 4 - HE3 LYS 94 - HD2 LYS 45 lone 1 31 - 4 - HE3 LYS 63 - HD2 LYS 44 lone 1 56 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 1 56 - 2 - HE2 LYS 61 - HD3 LYS 45 lone 1 31 - 3 - HE2 LYS 63 - HD2 LYS 44 lone 1 54 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 1 54 - 2 - HE2 LYS 61 - HD2 LYS 45 lone 1 28 - 3 - HE2 LYS 35 - HD3 LYS 63 lone 1 88 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 88 - 1 - HE2 LYS 44 - HD2 LYS 77 lone 1 51 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 50 - 1 - HE3 LYS 63 - HD2 LYS 77 lone 1 37 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 1 35 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 1 56 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 56 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 55 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 53 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 50 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 50 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 47 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 47 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 45 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 45 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 64 - 0 - HE2 LYS 61 - HD2 LYS 77 lone 0 29 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 50 - 0 - HE3 LYS 35 - HG12 ILE 27 lone 0 50 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE2 LYS 94 - HG12 ILE 27 lone 0 41 - 0 - HE2 LYS 94 - HD2 LYS 77 lone 0 38 - 0 - HE3 LYS 94 - HG12 ILE 27 lone 0 35 - 0 - HE3 LYS 63 - HG12 ILE 27 lone 0 39 - 0 - HE2 LYS 63 - HG12 ILE 27 lone 0 38 - 0 - HE3 LYS 94 - HD2 LYS 77 lone 0 32 - 0 - HE2 LYS 61 - HG12 ILE 27 lone 0 31 - 0 - Peak 2814 from cnoeabs.peaks (7.76, 1.68, 28.77 ppm; 4.91 A): 2 out of 22 assignments used, quality = 0.99: H LYS 61 + HD2 LYS 61 OK 91 100 - 91 - 6.0=55, 865/3.9=21...(21) * H LYS 61 + HD3 LYS 61 OK 91 100 - 91 - 6.0=55, 865/3.9=21...(21) H LYS 61 - HD3 LYS 63 OK 31 100 - 32 - 4.5/4250=5, 2794/3.0=4...(14) H LYS 61 - HD2 LYS 44 OK 18 85 - 21 - 2834/3.0=3, 872/3.0=3...(8) H LYS 61 - HD3 LYS 44 OK 18 85 - 21 - 2834/3.0=3, 872/3.0=3...(8) H LYS 61 - HD3 LYS 94 OK 16 97 - 16 - 4.5/4250=2, 865/3.4=1...(6) H LYS 61 - HD2 LYS 94 OK 16 97 - 16 - 4.5/4250=2, 865/3.4=1...(6) H ASN 91 - HD2 LYS 61 OK 12 99 - 12 - 2784/3.0=2, 2784/3.0=2 H ASN 91 - HD3 LYS 61 OK 12 99 - 12 - 2784/3.0=2, 2784/3.0=2 H ASN 91 - HD2 LYS 44 poor 9 83 - 10 - 6750/3.0=3, 6762/5.4=1 H ASN 91 - HD3 LYS 44 poor 9 83 - 10 - 6750/3.0=3, 6762/5.4=1 H ASN 91 - HD3 LYS 63 lone 8 98 - 8 - 6748/3.9=1, 6750/1.8=1 H LYS 61 - HD3 LYS 45 lone 6 63 - 9 - 2834/3.0=1, 2834/3.0=1 H ASN 91 - HD2 LYS 77 poor 6 57 - 10 - 6750/3.0=3, 6750/3.0=3 H LYS 61 - HD2 LYS 45 lone 5 58 - 9 - 2834/3.0=1, 2834/3.0=1 H LYS 61 - HD2 LYS 77 lone 5 60 - 7 - 5941/3.0=1, 5941/3.0=1 H ASN 91 - HD3 LYS 94 lone 3 95 - 4 - H ASN 91 - HD2 LYS 94 lone 3 95 - 4 - H LYS 61 - HG12 ILE 27 lone 2 64 - 3 - H ASN 91 - HG12 ILE 27 lone 2 61 - 3 - H ASN 91 - HD3 LYS 45 lone 2 61 - 3 - H ASN 91 - HD2 LYS 45 lone 2 55 - 3 - Peak 2815 from cnoeabs.peaks (4.35, 1.68, 28.77 ppm; 4.00 A): 4 out of 88 assignments used, quality = 1.00: * HA LYS 61 + HD3 LYS 61 OK 90 100 - 90 - 4.8=59, 2758/3.0=9...(31) HA LYS 61 + HD2 LYS 61 OK 90 100 - 90 - 4.8=59, 2758/3.0=9...(31) HA LEU 62 + HD2 LYS 61 OK 51 97 - 53 - 3.0/4250=8, ~4251=5...(17) HA LEU 62 + HD3 LYS 61 OK 51 97 - 53 - 3.0/4250=8, ~4251=5...(17) HA LEU 62 - HD3 LYS 63 OK 28 96 - 29 - 282/5.9=10, 3.0/4250=4...(10) HA LYS 61 - HD3 LYS 63 OK 25 100 - 25 - 282/5.9=4, 3.6/4250=4...(9) HB THR 59 - HD3 LYS 61 OK 25 60 - 42 - 2.1/5920=6, 5911/3.0=6...(12) HB THR 59 - HD2 LYS 61 OK 25 60 - 42 - 2.1/5920=6, 5911/3.0=6...(12) HA LYS 61 - HD2 LYS 44 OK 19 85 - 23 - 7204/3.0=2, 7204/3.0=2...(7) HA LYS 61 - HD3 LYS 44 OK 19 85 - 23 - 7204/3.0=2, 7204/3.0=2...(7) HA LEU 62 - HD3 LYS 94 OK 19 91 - 20 - 3.6/887=2, 3.0/4250=2...(7) HA LEU 62 - HD2 LYS 94 OK 19 91 - 20 - 3.6/887=2, 3.0/4250=2...(7) HA LYS 61 - HD2 LYS 94 OK 14 97 - 14 - 3.6/4250=2, 2.9/870=1 HA LYS 61 - HD3 LYS 94 OK 14 97 - 14 - 3.6/4250=2, 2.9/870=1 HB THR 59 - HD3 LYS 63 poor 8 59 - 13 - 2.1/5920=2, 5911/3.0=2...(8) HA PHE 34 - HD3 LYS 63 lone 6 82 - 8 - ~2936=2 HA LYS 61 - HD3 LYS 45 lone 6 63 - 9 - HA THR 42 - HD2 LYS 44 poor 5 47 - 12 - 3.2/5493=3, ~5493=2...(5) HA THR 42 - HD3 LYS 44 poor 5 47 - 12 - 3.2/5493=3, ~5493=2...(5) HA LEU 62 - HD3 LYS 44 lone 5 79 - 6 - HA LEU 62 - HD2 LYS 44 lone 5 79 - 6 - HA LYS 61 - HD2 LYS 45 lone 5 58 - 9 - HB THR 59 - HD2 LYS 94 lone 5 55 - 9 - 2.1/5920=1 HB THR 59 - HD3 LYS 94 lone 5 55 - 9 - 2.1/5920=1 HA PHE 34 - HD3 LYS 94 lone 5 77 - 6 - 3.5/731=2 HA PHE 34 - HD2 LYS 94 lone 5 77 - 6 - 3.5/731=2 HA THR 42 - HD3 LYS 94 lone 4 57 - 7 - 3.2/5493=1, 3.0/5489=1 HA THR 42 - HD2 LYS 94 lone 4 57 - 7 - 3.2/5493=1, 3.0/5489=1 HA PHE 34 - HD3 LYS 61 lone 4 83 - 5 - 3.5/731=1 HA PHE 34 - HD2 LYS 61 lone 4 83 - 5 - 3.5/731=1 HA LEU 62 - HD3 LYS 45 lone 4 58 - 7 - HA LEU 62 - HD2 LYS 45 lone 4 52 - 7 - HA PHE 34 - HG12 ILE 27 lone 4 46 - 8 - ~4932=2, 3.7/5203=1 HA TRP 82 - HD2 LYS 61 lone 3 97 - 3 - HA TRP 82 - HD3 LYS 61 lone 3 97 - 3 - HA THR 42 - HD3 LYS 61 lone 3 63 - 5 - HA THR 42 - HD2 LYS 61 lone 3 63 - 5 - HB THR 59 - HD2 LYS 44 lone 3 45 - 6 - HB THR 59 - HD3 LYS 44 lone 3 45 - 6 - HA TRP 82 - HD3 LYS 45 lone 3 59 - 4 - ~6569=1 HA PHE 34 - HD2 LYS 44 lone 2 64 - 4 - 3.5/731=1 HA TRP 82 - HD3 LYS 63 lone 2 97 - 2 - HA PHE 34 - HD3 LYS 44 lone 2 64 - 4 - 3.5/731=1 HA TRP 82 - HD2 LYS 45 lone 2 53 - 4 - ~6569=1 HA ALA 98 - HG12 ILE 27 lone 2 48 - 5 - ~7014=2 HA ALA 98 - HD3 LYS 63 lone 2 84 - 2 - HA TRP 82 - HD3 LYS 94 lone 2 92 - 2 - 3.6/6602=1 HA TRP 82 - HD2 LYS 94 lone 2 92 - 2 - 3.6/6602=1 HA THR 42 - HD3 LYS 45 lone 2 33 - 5 - ~178=1, ~179=1 HA LYS 61 - HD2 LYS 77 lone 2 60 - 3 - HA LEU 62 - HD2 LYS 77 lone 2 54 - 3 - HA THR 42 - HG12 ILE 27 lone 2 33 - 5 - 3.2/5493=1, 3.6/4096=1 HA TRP 82 - HG12 ILE 27 lone 2 59 - 3 - 3.6/6602=1 HA ALA 98 - HD2 LYS 94 lone 2 79 - 2 - HA ALA 98 - HD3 LYS 94 lone 2 79 - 2 - HA THR 42 - HD2 LYS 45 lone 2 29 - 5 - ~178=1, ~179=1 HA SER 11 - HG12 ILE 27 lone 1 62 - 2 - HA THR 42 - HD3 LYS 63 lone 1 62 - 2 - HA TRP 82 - HD2 LYS 44 lone 1 80 - 2 - HA TRP 82 - HD3 LYS 44 lone 1 80 - 2 - HA ALA 98 - HD3 LYS 61 lone 1 85 - 1 - HA ALA 98 - HD2 LYS 61 lone 1 85 - 1 - HA ALA 98 - HD2 LYS 77 lone 1 44 - 3 - ~7010=2 HA TRP 82 - HD2 LYS 77 lone 1 55 - 2 - HA SER 11 - HD3 LYS 63 lone 1 99 - 1 - HA SER 11 - HD3 LYS 61 lone 1 99 - 1 - HA SER 11 - HD2 LYS 61 lone 1 99 - 1 - HB THR 59 - HD3 LYS 45 lone 1 31 - 3 - HA LYS 61 - HG12 ILE 27 lone 1 64 - 1 - HA LEU 62 - HG12 ILE 27 lone 1 58 - 2 - HA ALA 98 - HD2 LYS 44 lone 1 66 - 1 - HA ALA 98 - HD3 LYS 44 lone 1 66 - 1 - HA SER 11 - HD2 LYS 94 lone 1 95 - 1 - HA SER 11 - HD3 LYS 94 lone 1 95 - 1 - HB THR 59 - HD2 LYS 45 lone 1 28 - 3 - HA SER 11 - HD2 LYS 44 lone 1 84 - 1 - HA SER 11 - HD3 LYS 44 lone 1 83 - 1 - HA SER 11 - HD2 LYS 77 lone 1 58 - 1 - HA SER 11 - HD3 LYS 45 lone 1 62 - 1 - HA PHE 34 - HD3 LYS 45 lone 1 46 - 1 - HA PHE 34 - HD2 LYS 77 lone 1 43 - 1 - HA SER 11 - HD2 LYS 45 lone 0 56 - 1 - HA PHE 34 - HD2 LYS 45 lone 0 41 - 1 - HA ALA 98 - HD3 LYS 45 lone 0 47 - 1 - HB THR 59 - HG12 ILE 27 lone 0 31 - 1 - HA ALA 98 - HD2 LYS 45 lone 0 43 - 1 - HA THR 42 - HD2 LYS 77 lone 0 30 - 1 - HB THR 59 - HD2 LYS 77 lone 0 29 - 1 - Peak 2816 from cnoeabs.peaks (1.84, 1.68, 28.77 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.52: HB ILE 27 + HG12 ILE 27 OK 33 33 - 100 - 2.8=100 HD3 LYS 77 + HD2 LYS 77 OK 29 29 - 100 - 1.8=100 Reference assignment not found: HB2 LYS 61 - HD3 LYS 61 Peak 2817 from cnoeabs.peaks (1.66, 1.68, 28.77 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD2 LYS 94 + HD2 LYS 94 OK 79 79 - 100 HD3 LYS 94 + HD3 LYS 94 OK 79 79 - 100 HD3 LYS 61 + HD3 LYS 61 OK 76 76 - 100 HD2 LYS 61 + HD2 LYS 61 OK 76 76 - 100 HD3 LYS 63 + HD3 LYS 63 OK 75 75 - 100 HG12 ILE 27 + HG12 ILE 27 OK 64 64 - 100 HD2 LYS 44 + HD2 LYS 44 OK 58 58 - 100 HD3 LYS 44 + HD3 LYS 44 OK 56 56 - 100 Reference assignment not found: HB3 LYS 61 - HD3 LYS 61 Peak 2818 from cnoeabs.peaks (1.42, 1.68, 28.77 ppm; 2.65 A): 8 out of 110 assignments used, quality = 1.00: HG3 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG3 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) * HG2 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 63 + HD3 LYS 63 OK 82 93 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 63 + HD3 LYS 63 OK 82 93 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 94 + HD2 LYS 94 OK 66 74 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 94 + HD3 LYS 94 OK 66 74 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 45 - HD3 LYS 45 OK 42 49 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 45 - HD2 LYS 45 OK 38 44 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 63 - HD2 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG3 LYS 63 - HD3 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 25 89 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD2 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG2 LYS 63 - HD3 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD3 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD2 LYS 61 OK 15 95 - 16 - 2.9/2903=1, 2.9/2913=1 HG13 ILE 51 - HG12 ILE 27 OK 15 56 - 28 - 2.1/5746=3, ~5748=3...(15) HG2 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 94 - HD3 LYS 63 OK 14 79 - 18 - 2940/1.8=2, 3890=2...(5) QB ALA 78 - HD2 LYS 77 OK 12 40 - 31 - 2.9/355=3, 6444/3.7=3...(17) HG3 LYS 94 - HD2 LYS 61 OK 12 81 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 94 - HD3 LYS 61 OK 12 81 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG3 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HD3 LYS 86 - HD2 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HD3 LYS 86 - HD3 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HG3 LYS 45 - HD2 LYS 94 lone 7 81 - 9 - HG3 LYS 45 - HD3 LYS 94 lone 7 81 - 9 - HG3 LYS 45 - HD3 LYS 61 lone 7 87 - 8 - HG3 LYS 45 - HD2 LYS 61 lone 7 87 - 8 - QB ALA 78 - HD2 LYS 44 poor 7 60 - 11 - 6441/1.8=1, 6441=1 QB ALA 78 - HD3 LYS 44 poor 7 60 - 11 - 6441/1.8=1, 6441=1 HG3 LYS 45 - HD2 LYS 44 lone 7 68 - 10 - HG3 LYS 45 - HD3 LYS 44 lone 6 68 - 10 - HG3 LYS 94 - HD2 LYS 44 lone 5 62 - 9 - HG3 LYS 94 - HD3 LYS 44 lone 5 62 - 9 - HG3 LYS 63 - HD3 LYS 45 lone 5 55 - 10 - HG2 LYS 63 - HD3 LYS 45 lone 5 55 - 10 - HG3 LYS 94 - HD3 LYS 45 poor 5 44 - 12 - 3891=1 HG2 LYS 63 - HD2 LYS 45 lone 5 50 - 10 - HG3 LYS 63 - HD2 LYS 45 lone 5 50 - 10 - HG3 LYS 94 - HD2 LYS 45 poor 5 40 - 12 - HG2 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG3 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG2 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 63 - HD2 LYS 77 lone 4 52 - 8 - HG2 LYS 63 - HD2 LYS 77 lone 4 52 - 8 - QB ALA 78 - HD3 LYS 61 lone 4 78 - 5 - QB ALA 78 - HD2 LYS 61 lone 4 78 - 5 - HG13 ILE 51 - HD3 LYS 94 lone 4 89 - 4 - HG13 ILE 51 - HD2 LYS 94 lone 4 89 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 76 - 4 - HG3 LYS 63 - HD2 LYS 44 lone 3 76 - 4 - HG2 LYS 63 - HD3 LYS 44 lone 3 76 - 4 - HG3 LYS 63 - HD3 LYS 44 lone 3 76 - 4 - HG2 LYS 41 - HD3 LYS 61 lone 3 76 - 4 - HG2 LYS 41 - HD2 LYS 61 lone 3 76 - 4 - HD3 LYS 86 - HD3 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD2 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 2 93 - 3 - HG3 LYS 45 - HD3 LYS 63 lone 2 86 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 76 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 76 - 3 - HG2 LYS 41 - HD3 LYS 94 lone 2 70 - 3 - HG2 LYS 41 - HD2 LYS 94 lone 2 70 - 3 - QB ALA 78 - HD3 LYS 45 lone 2 43 - 5 - QB ALA 78 - HD3 LYS 63 lone 2 77 - 2 - HD3 LYS 86 - HD2 LYS 44 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 2 85 - 2 - QB ALA 78 - HD2 LYS 45 lone 2 38 - 5 - HG13 ILE 51 - HD2 LYS 61 lone 2 95 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 2 95 - 2 - HG2 LYS 41 - HD3 LYS 45 lone 2 41 - 4 - HD3 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - QB ALA 78 - HD3 LYS 94 lone 1 72 - 2 - QB ALA 78 - HD2 LYS 94 lone 1 72 - 2 - HG2 LYS 41 - HD2 LYS 45 lone 1 37 - 4 - HD3 LYS 86 - HD3 LYS 45 lone 1 63 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 1 58 - 2 - HG2 LYS 41 - HD3 LYS 44 lone 1 58 - 2 - HD3 LYS 86 - HD2 LYS 45 lone 1 58 - 2 - QB ALA 78 - HG12 ILE 27 lone 1 43 - 2 - HG2 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG3 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG2 LYS 41 - HG12 ILE 27 lone 1 41 - 2 - HG13 ILE 51 - HD2 LYS 77 lone 1 52 - 1 - HG3 LYS 45 - HD2 LYS 77 lone 1 46 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 75 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 0 44 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 55 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 56 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 56 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 60 - 1 - HG2 LYS 41 - HD2 LYS 77 lone 0 38 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 50 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 45 - HG12 ILE 27 lone 0 49 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 41 - 1 - Peak 2819 from cnoeabs.peaks (1.42, 1.68, 28.77 ppm; 2.65 A): 8 out of 110 assignments used, quality = 1.00: HG3 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) * HG3 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD3 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 61 + HD2 LYS 61 OK 85 100 - 85 - 3.0=72, 2787/1.8=3...(29) HG2 LYS 63 + HD3 LYS 63 OK 83 95 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 63 + HD3 LYS 63 OK 83 95 - 88 - 3.0=72, 2940/1.8=10...(19) HG3 LYS 94 + HD2 LYS 94 OK 68 77 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 94 + HD3 LYS 94 OK 68 77 - 89 - 2.9=75, 3887/3.4=9...(23) HG3 LYS 45 - HD3 LYS 45 OK 40 47 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 45 - HD2 LYS 45 OK 36 43 - 86 - 2.9=75, 1.8/2284=8...(19) HG3 LYS 63 - HD2 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG3 LYS 63 - HD3 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD2 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2933=1 HG2 LYS 63 - HD3 LYS 94 OK 26 90 - 29 - 2.9/2903=2, 2.9/2913=2, 2923=1 HG2 LYS 63 - HD2 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG2 LYS 63 - HD3 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD3 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG3 LYS 63 - HD2 LYS 61 OK 16 96 - 17 - 2.9/2903=1, 2.9/2913=1 HG13 ILE 51 - HG12 ILE 27 OK 16 57 - 28 - 2.1/5746=3, ~5748=3...(15) HG2 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2941/1.8=2 HG3 LYS 61 - HD3 LYS 63 OK 15 100 - 15 - 2940/1.8=2 HG3 LYS 94 - HD3 LYS 63 OK 14 82 - 18 - 3890=2, 2940/1.8=2...(5) HG3 LYS 94 - HD2 LYS 61 OK 13 83 - 15 - 3891=2, 1.8/3880=1...(4) HG3 LYS 94 - HD3 LYS 61 OK 13 83 - 15 - 3890=2, 1.8/3880=1...(4) QB ALA 78 - HD2 LYS 77 OK 12 38 - 31 - 2.9/355=3, 6444/3.7=3...(17) HG3 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD2 LYS 44 OK 11 85 - 14 - HG2 LYS 61 - HD3 LYS 44 OK 11 85 - 14 - HG3 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG3 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD3 LYS 94 lone 9 97 - 9 - HG2 LYS 61 - HD2 LYS 94 lone 9 97 - 9 - HD3 LYS 86 - HD2 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HD3 LYS 86 - HD3 LYS 94 lone 8 97 - 8 - 3616/2.9=2, ~3606=1 HG3 LYS 45 - HD3 LYS 94 lone 7 79 - 9 - HG3 LYS 45 - HD2 LYS 94 lone 7 79 - 9 - HG3 LYS 45 - HD3 LYS 61 lone 7 85 - 8 - HG3 LYS 45 - HD2 LYS 61 lone 7 85 - 8 - QB ALA 78 - HD2 LYS 44 poor 7 58 - 11 - 6441/1.8=1, 6441=1 QB ALA 78 - HD3 LYS 44 poor 7 58 - 11 - 6441/1.8=1, 6441=1 HG3 LYS 45 - HD2 LYS 44 lone 6 66 - 10 - HG3 LYS 45 - HD3 LYS 44 lone 6 66 - 10 - HG3 LYS 94 - HD2 LYS 44 lone 6 64 - 9 - HG3 LYS 94 - HD3 LYS 44 lone 6 64 - 9 - HG3 LYS 94 - HD3 LYS 45 poor 6 46 - 12 - 3890=1 HG3 LYS 63 - HD3 LYS 45 lone 6 57 - 10 - HG2 LYS 63 - HD3 LYS 45 lone 6 57 - 10 - HG3 LYS 94 - HD2 LYS 45 poor 5 41 - 12 - HG3 LYS 63 - HD2 LYS 45 lone 5 51 - 10 - HG2 LYS 63 - HD2 LYS 45 lone 5 51 - 10 - HG2 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG3 LYS 61 - HD3 LYS 45 lone 5 63 - 7 - HG2 LYS 63 - HD2 LYS 77 lone 4 53 - 8 - HG3 LYS 63 - HD2 LYS 77 lone 4 53 - 8 - HG2 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG3 LYS 61 - HD2 LYS 45 lone 4 58 - 7 - HG13 ILE 51 - HD2 LYS 94 lone 4 90 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 90 - 4 - QB ALA 78 - HD3 LYS 61 lone 4 76 - 5 - QB ALA 78 - HD2 LYS 61 lone 4 76 - 5 - HG3 LYS 63 - HD2 LYS 44 lone 3 78 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 78 - 4 - HG2 LYS 63 - HD3 LYS 44 lone 3 78 - 4 - HG3 LYS 63 - HD3 LYS 44 lone 3 78 - 4 - HD3 LYS 86 - HD3 LYS 61 lone 3 100 - 3 - HD3 LYS 86 - HD2 LYS 61 lone 3 100 - 3 - HG2 LYS 41 - HD3 LYS 61 lone 3 73 - 4 - HG2 LYS 41 - HD2 LYS 61 lone 3 73 - 4 - HD3 LYS 86 - HD3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 3 95 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 78 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 78 - 3 - HG3 LYS 45 - HD3 LYS 63 lone 2 84 - 3 - HG2 LYS 41 - HD2 LYS 94 lone 2 67 - 3 - HG2 LYS 41 - HD3 LYS 94 lone 2 67 - 3 - HD3 LYS 86 - HD2 LYS 44 lone 2 85 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 2 85 - 2 - QB ALA 78 - HD3 LYS 45 lone 2 41 - 5 - QB ALA 78 - HD3 LYS 63 lone 2 75 - 2 - QB ALA 78 - HD2 LYS 45 lone 2 37 - 5 - HG13 ILE 51 - HD3 LYS 61 lone 2 96 - 2 - HG13 ILE 51 - HD2 LYS 61 lone 2 96 - 2 - HG2 LYS 41 - HD3 LYS 45 lone 2 39 - 4 - HD3 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - QB ALA 78 - HD3 LYS 94 lone 1 70 - 2 - QB ALA 78 - HD2 LYS 94 lone 1 70 - 2 - HG2 LYS 41 - HD2 LYS 45 lone 1 35 - 4 - HD3 LYS 86 - HD3 LYS 45 lone 1 63 - 2 - HG2 LYS 41 - HD2 LYS 44 lone 1 56 - 2 - HG2 LYS 41 - HD3 LYS 44 lone 1 56 - 2 - HD3 LYS 86 - HD2 LYS 45 lone 1 58 - 2 - HG2 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - HG3 LYS 61 - HD2 LYS 77 lone 1 60 - 2 - QB ALA 78 - HG12 ILE 27 lone 1 41 - 2 - HG13 ILE 51 - HD2 LYS 77 lone 1 53 - 1 - HG2 LYS 41 - HG12 ILE 27 lone 1 39 - 2 - HG3 LYS 45 - HD2 LYS 77 lone 1 44 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 46 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 57 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 57 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 57 - 1 - HG2 LYS 41 - HD3 LYS 63 lone 0 72 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 60 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 51 - 1 - HG2 LYS 41 - HD2 LYS 77 lone 0 37 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 64 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 43 - 1 - HG3 LYS 45 - HG12 ILE 27 lone 0 48 - 1 - Peak 2820 from cnoeabs.peaks (1.68, 1.68, 28.77 ppm; diagonal): 8 out of 11 assignments used, quality = 1.00: HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD3 LYS 63 + HD3 LYS 63 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD2 LYS 44 + HD2 LYS 44 OK 85 85 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD3 LYS 45 + HD3 LYS 45 OK 46 46 - 100 HD2 LYS 77 - HD2 LYS 77 OK 41 41 - 100 HG12 ILE 27 - HG12 ILE 27 OK 41 41 - 100 HD2 LYS 45 - HD2 LYS 45 OK 38 38 - 100 Reference assignment not found: HD2 LYS 61 - HD3 LYS 61 Peak 2821 from cnoeabs.peaks (1.68, 1.68, 28.77 ppm; diagonal): 8 out of 11 assignments used, quality = 1.00: HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 * HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD3 LYS 63 + HD3 LYS 63 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 96 96 - 100 HD3 LYS 94 + HD3 LYS 94 OK 96 96 - 100 HD2 LYS 44 + HD2 LYS 44 OK 85 85 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD3 LYS 45 + HD3 LYS 45 OK 46 46 - 100 HD2 LYS 77 - HD2 LYS 77 OK 41 41 - 100 HG12 ILE 27 - HG12 ILE 27 OK 41 41 - 100 HD2 LYS 45 - HD2 LYS 45 OK 38 38 - 100 Peak 2822 from cnoeabs.peaks (3.03, 1.68, 28.77 ppm; 2.69 A): 8 out of 88 assignments used, quality = 1.00: * HE2 LYS 61 + HD3 LYS 61 OK 86 100 - 86 - 2.9=77, 2831/1.8=3...(11) HE2 LYS 61 + HD2 LYS 61 OK 86 100 - 86 - 2.9=77, 2831/1.8=3...(11) HE3 LYS 44 + HD2 LYS 44 OK 64 75 - 86 - 3.0=75, 3.9/2198=4...(27) HE3 LYS 44 + HD3 LYS 44 OK 64 75 - 86 - 3.0=75, 3.9/2198=4...(27) HE2 LYS 44 + HD2 LYS 44 OK 63 73 - 86 - 3.0=75, 3.9/2198=4...(27) HE2 LYS 44 + HD3 LYS 44 OK 63 73 - 86 - 3.0=75, 3.9/2198=4...(27) HE3 LYS 61 + HD2 LYS 61 OK 51 60 - 85 - 2.9=77, 1.8/2831=3...(18) HE3 LYS 61 + HD3 LYS 61 OK 51 60 - 85 - 2.9=77, 1.8/2831=3...(18) HE3 LYS 44 - HD3 LYS 61 OK 12 93 - 13 - 2782/3.9=1 HE3 LYS 44 - HD2 LYS 61 OK 12 93 - 13 - 2782/3.9=1 HE2 LYS 44 - HD2 LYS 61 OK 11 92 - 13 - HE2 LYS 44 - HD3 LYS 61 OK 11 92 - 13 - HE2 LYS 61 - HD2 LYS 44 OK 11 85 - 13 - 2201/3.0=1 HE2 LYS 61 - HD3 LYS 44 OK 11 85 - 13 - 2201/3.0=1 HE2 LYS 61 - HD2 LYS 94 OK 10 97 - 11 - HE2 LYS 61 - HD3 LYS 94 OK 10 97 - 11 - HE2 LYS 35 - HD2 LYS 61 lone 7 96 - 8 - HE2 LYS 35 - HD3 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD2 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD3 LYS 61 lone 7 96 - 8 - HE3 LYS 35 - HD2 LYS 44 lone 7 78 - 9 - HE2 LYS 35 - HD2 LYS 44 lone 7 78 - 9 - HE3 LYS 35 - HD3 LYS 44 lone 7 78 - 9 - HE2 LYS 35 - HD3 LYS 44 lone 7 78 - 9 - HE3 LYS 61 - HD2 LYS 44 poor 6 45 - 13 - 2201/3.0=1 HE3 LYS 61 - HD3 LYS 44 poor 6 45 - 13 - 2201/3.0=1 HE2 LYS 61 - HD3 LYS 63 lone 6 100 - 6 - HE3 LYS 44 - HD3 LYS 94 lone 5 88 - 6 - HE3 LYS 44 - HD2 LYS 94 lone 5 88 - 6 - HE2 LYS 44 - HD3 LYS 94 lone 5 86 - 6 - HE2 LYS 44 - HD2 LYS 94 lone 5 86 - 6 - HE3 LYS 61 - HD3 LYS 94 lone 4 55 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 4 55 - 8 - HB2 SER 75 - HD3 LYS 61 lone 4 100 - 4 - HB2 SER 75 - HD2 LYS 61 lone 4 100 - 4 - HE3 LYS 44 - HD3 LYS 45 lone 3 54 - 6 - HE2 LYS 61 - HD3 LYS 45 lone 3 63 - 5 - HE2 LYS 44 - HD3 LYS 45 lone 3 53 - 6 - HE3 LYS 44 - HD2 LYS 45 lone 3 49 - 6 - HE2 LYS 61 - HD2 LYS 45 lone 3 58 - 5 - HE2 LYS 44 - HD2 LYS 45 lone 3 48 - 6 - HE2 LYS 35 - HD2 LYS 94 lone 2 90 - 3 - HE3 LYS 35 - HD3 LYS 94 lone 2 90 - 3 - HE2 LYS 35 - HD3 LYS 94 lone 2 90 - 3 - HE3 LYS 35 - HD2 LYS 94 lone 2 90 - 3 - HE3 LYS 61 - HD3 LYS 63 lone 3 59 - 4 - HE2 LYS 41 - HD2 LYS 61 lone 2 87 - 2 - HE2 LYS 41 - HD3 LYS 61 lone 2 87 - 2 - HE2 LYS 41 - HD3 LYS 45 lone 2 49 - 4 - HE2 LYS 41 - HD2 LYS 45 lone 2 44 - 4 - HE3 LYS 44 - HD3 LYS 63 lone 2 92 - 2 - HE2 LYS 41 - HD2 LYS 94 lone 2 81 - 2 - HE2 LYS 41 - HD3 LYS 94 lone 2 81 - 2 - HE2 LYS 44 - HD3 LYS 63 lone 2 91 - 2 - HE2 LYS 41 - HD3 LYS 44 lone 1 68 - 2 - HE2 LYS 41 - HD2 LYS 44 lone 1 68 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 1 31 - 4 - HE2 LYS 35 - HD3 LYS 63 lone 1 95 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 95 - 1 - HE3 LYS 61 - HD2 LYS 45 lone 1 28 - 4 - HB2 SER 75 - HD3 LYS 63 lone 1 99 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 51 - 2 - HE2 LYS 44 - HD2 LYS 77 lone 1 50 - 2 - HE2 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 55 - 1 - HB2 SER 75 - HD2 LYS 44 lone 1 84 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 53 - 1 - HB2 SER 75 - HD3 LYS 44 lone 1 84 - 1 - HB2 SER 75 - HD3 LYS 45 lone 1 62 - 1 - HB2 SER 75 - HD2 LYS 45 lone 1 57 - 1 - HB2 SER 75 - HD3 LYS 94 lone 0 96 - 0 - HB2 SER 75 - HD2 LYS 94 lone 0 96 - 0 - HE3 LYS 35 - HD3 LYS 45 lone 0 57 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 57 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 53 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 53 - 1 - HE2 LYS 41 - HD3 LYS 63 lone 0 86 - 0 - HE2 LYS 35 - HD2 LYS 45 lone 0 51 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 51 - 1 - HE3 LYS 35 - HG12 ILE 27 lone 0 57 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 57 - 1 - HB2 SER 75 - HD2 LYS 77 lone 0 58 - 1 - HE2 LYS 61 - HG12 ILE 27 lone 0 64 - 0 - HE3 LYS 61 - HD2 LYS 77 lone 0 29 - 1 - HE2 LYS 41 - HG12 ILE 27 lone 0 49 - 1 - HB2 SER 75 - HG12 ILE 27 lone 0 63 - 0 - HE2 LYS 41 - HD2 LYS 77 lone 0 46 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 31 - 0 - Peak 2823 from cnoeabs.peaks (3.00, 1.68, 28.77 ppm; 2.54 A): 14 out of 132 assignments used, quality = 1.00: * HE3 LYS 61 + HD3 LYS 61 OK 76 100 - 76 - 2.9=65, 1.8/2831=3...(16) HE3 LYS 61 + HD2 LYS 61 OK 76 100 - 76 - 2.9=65, 1.8/2831=3...(16) HE2 LYS 44 + HD2 LYS 44 OK 58 75 - 78 - 3.0=63, 3.9/2198=4...(21) HE2 LYS 44 + HD3 LYS 44 OK 58 75 - 78 - 3.0=63, 3.9/2198=4...(21) HE3 LYS 44 + HD2 LYS 44 OK 57 73 - 78 - 3.0=63, 3.9/2198=4...(20) HE3 LYS 44 + HD3 LYS 44 OK 57 73 - 78 - 3.0=63, 3.9/2198=4...(21) HE2 LYS 94 + HD3 LYS 94 OK 53 70 - 76 - 3.0=63, 3.7/3890=4...(17) HE2 LYS 94 + HD2 LYS 94 OK 53 70 - 76 - 3.0=63, 3.7/3890=4...(17) HE3 LYS 63 + HD3 LYS 63 OK 53 72 - 74 - 3.0=64, 1.8/2963=2...(10) HE2 LYS 63 + HD3 LYS 63 OK 51 70 - 74 - 3.0=64, 1.8/2963=2...(10) HE3 LYS 94 + HD3 LYS 94 OK 46 60 - 77 - 3.0=63, 3.7/3891=4...(17) HE3 LYS 94 + HD2 LYS 94 OK 46 60 - 77 - 3.0=63, 3.7/3891=4...(17) HE2 LYS 61 + HD3 LYS 61 OK 46 60 - 76 - 2.9=65, 1871/1.8=2...(8) HE2 LYS 61 + HD2 LYS 61 OK 46 60 - 76 - 2.9=65, 1871/1.8=2...(8) HE3 LYS 45 - HD3 LYS 45 OK 44 60 - 74 - 3.0=62, 3.5/2284=4...(15) HE2 LYS 45 - HD3 LYS 45 OK 44 60 - 74 - 3.0=62, 3.5/2284=4...(15) HE2 LYS 45 - HD2 LYS 45 OK 40 54 - 74 - 3.0=62, 3.5/2284=4...(15) HE3 LYS 45 - HD2 LYS 45 OK 40 54 - 74 - 3.0=62, 3.5/2284=4...(15) HE3 LYS 63 - HD3 LYS 94 OK 13 67 - 19 - HE3 LYS 63 - HD2 LYS 94 OK 13 67 - 19 - HE2 LYS 63 - HD2 LYS 94 OK 12 65 - 19 - HE2 LYS 63 - HD3 LYS 94 OK 12 65 - 19 - HE3 LYS 61 - HD3 LYS 44 poor 10 85 - 12 - HE3 LYS 61 - HD2 LYS 44 poor 10 85 - 12 - HE2 LYS 44 - HD2 LYS 61 lone 9 93 - 10 - HE2 LYS 44 - HD3 LYS 61 lone 9 93 - 10 - HE3 LYS 44 - HD2 LYS 61 lone 9 92 - 10 - HE3 LYS 44 - HD3 LYS 61 lone 9 92 - 10 - HE3 LYS 45 - HD2 LYS 94 lone 9 93 - 9 - HE3 LYS 45 - HD3 LYS 94 lone 9 93 - 9 - HE2 LYS 45 - HD3 LYS 94 lone 9 93 - 9 - HE2 LYS 45 - HD2 LYS 94 lone 9 93 - 9 - HE3 LYS 63 - HD2 LYS 61 poor 8 73 - 11 - HE3 LYS 63 - HD3 LYS 61 poor 8 73 - 11 - HE2 LYS 63 - HD2 LYS 61 poor 7 71 - 11 - HE2 LYS 63 - HD3 LYS 61 poor 7 71 - 11 - HE3 LYS 61 - HD3 LYS 94 lone 7 97 - 7 - HE3 LYS 61 - HD2 LYS 94 lone 7 97 - 7 - HE2 LYS 94 - HD3 LYS 63 lone 7 75 - 9 - HE3 LYS 94 - HD3 LYS 63 lone 6 64 - 10 - HE2 LYS 45 - HD3 LYS 44 lone 6 81 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 61 lone 6 98 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 6 98 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 6 98 - 6 - HE2 LYS 45 - HD3 LYS 61 lone 6 98 - 6 - HE2 LYS 35 - HD3 LYS 61 lone 5 89 - 6 - HE3 LYS 35 - HD3 LYS 61 lone 5 89 - 6 - HE3 LYS 35 - HD2 LYS 61 lone 5 89 - 6 - HE2 LYS 35 - HD2 LYS 61 lone 5 89 - 6 - HE2 LYS 35 - HD2 LYS 44 lone 5 70 - 7 - HE3 LYS 35 - HD2 LYS 44 lone 5 70 - 7 - HE2 LYS 35 - HD3 LYS 44 lone 5 70 - 7 - HE3 LYS 35 - HD3 LYS 44 lone 5 70 - 7 - HE2 LYS 61 - HD2 LYS 44 poor 5 45 - 11 - 2200/3.0=1 HE2 LYS 61 - HD3 LYS 44 poor 5 45 - 11 - 2200/3.0=1 HE2 LYS 94 - HD2 LYS 61 lone 5 76 - 6 - HE2 LYS 94 - HD3 LYS 61 lone 5 76 - 6 - HE2 LYS 44 - HD3 LYS 94 lone 5 88 - 5 - HE2 LYS 44 - HD2 LYS 94 lone 5 88 - 5 - HE3 LYS 44 - HD3 LYS 94 lone 4 86 - 5 - HE3 LYS 44 - HD2 LYS 94 lone 4 86 - 5 - HE2 LYS 61 - HD2 LYS 94 lone 4 55 - 8 - HE2 LYS 61 - HD3 LYS 94 lone 4 55 - 8 - HE3 LYS 61 - HD3 LYS 63 lone 4 100 - 4 - HE3 LYS 94 - HD2 LYS 61 lone 4 65 - 6 - HE3 LYS 94 - HD3 LYS 61 lone 4 65 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 4 97 - 4 - HE2 LYS 45 - HD3 LYS 63 lone 4 97 - 4 - HE2 LYS 44 - HD3 LYS 45 lone 3 54 - 6 - HE3 LYS 44 - HD3 LYS 45 lone 3 53 - 6 - HE3 LYS 61 - HD3 LYS 45 lone 3 63 - 4 - HE2 LYS 44 - HD2 LYS 45 lone 3 49 - 6 - HE3 LYS 44 - HD2 LYS 45 lone 3 48 - 6 - HE3 LYS 61 - HD2 LYS 45 lone 2 58 - 4 - HE2 LYS 61 - HD3 LYS 63 lone 2 59 - 4 - HE2 LYS 35 - HD3 LYS 94 lone 2 83 - 2 - HE2 LYS 35 - HD2 LYS 94 lone 2 83 - 2 - HE3 LYS 35 - HD2 LYS 94 lone 2 83 - 2 - HE3 LYS 35 - HD3 LYS 94 lone 2 83 - 2 - HE2 LYS 94 - HD2 LYS 44 lone 2 58 - 3 - HE2 LYS 94 - HD3 LYS 44 lone 2 58 - 3 - HE2 LYS 94 - HD3 LYS 45 lone 2 41 - 4 - HE3 LYS 94 - HD2 LYS 44 lone 2 49 - 3 - HE3 LYS 94 - HD3 LYS 44 lone 2 49 - 3 - HE2 LYS 94 - HD2 LYS 45 lone 2 37 - 4 - HE3 LYS 63 - HD3 LYS 45 lone 2 39 - 4 - HE3 LYS 94 - HD3 LYS 45 lone 2 34 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 1 38 - 4 - HE2 LYS 44 - HD3 LYS 63 lone 1 92 - 1 - HE3 LYS 44 - HD3 LYS 63 lone 1 91 - 1 - HE3 LYS 63 - HD2 LYS 45 lone 1 35 - 4 - HE2 LYS 63 - HD2 LYS 45 lone 1 34 - 4 - HE3 LYS 94 - HD2 LYS 45 lone 1 31 - 4 - HE3 LYS 63 - HD2 LYS 44 lone 1 56 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 1 56 - 2 - HE2 LYS 61 - HD3 LYS 45 lone 1 31 - 3 - HE2 LYS 63 - HD2 LYS 44 lone 1 54 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 1 54 - 2 - HE2 LYS 61 - HD2 LYS 45 lone 1 28 - 3 - HE2 LYS 35 - HD3 LYS 63 lone 1 88 - 1 - HE3 LYS 35 - HD3 LYS 63 lone 1 88 - 1 - HE2 LYS 44 - HD2 LYS 77 lone 1 51 - 1 - HE3 LYS 44 - HD2 LYS 77 lone 1 50 - 1 - HE3 LYS 63 - HD2 LYS 77 lone 1 37 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 1 35 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 1 56 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 56 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 1 60 - 1 - HE2 LYS 44 - HG12 ILE 27 lone 1 55 - 1 - HE3 LYS 44 - HG12 ILE 27 lone 1 53 - 1 - HE3 LYS 35 - HD3 LYS 45 lone 0 50 - 1 - HE2 LYS 35 - HD3 LYS 45 lone 0 50 - 1 - HE2 LYS 35 - HD2 LYS 77 lone 0 47 - 1 - HE3 LYS 35 - HD2 LYS 77 lone 0 47 - 1 - HE2 LYS 35 - HD2 LYS 45 lone 0 45 - 1 - HE3 LYS 35 - HD2 LYS 45 lone 0 45 - 1 - HE3 LYS 61 - HG12 ILE 27 lone 0 64 - 0 - HE2 LYS 61 - HD2 LYS 77 lone 0 29 - 1 - HE2 LYS 35 - HG12 ILE 27 lone 0 50 - 0 - HE3 LYS 35 - HG12 ILE 27 lone 0 50 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE2 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE2 LYS 94 - HG12 ILE 27 lone 0 41 - 0 - HE2 LYS 94 - HD2 LYS 77 lone 0 38 - 0 - HE3 LYS 94 - HG12 ILE 27 lone 0 35 - 0 - HE3 LYS 63 - HG12 ILE 27 lone 0 39 - 0 - HE2 LYS 63 - HG12 ILE 27 lone 0 38 - 0 - HE3 LYS 94 - HD2 LYS 77 lone 0 32 - 0 - HE2 LYS 61 - HG12 ILE 27 lone 0 31 - 0 - Peak 2826 from cnoeabs.peaks (1.84, 3.03, 41.92 ppm; 4.09 A): 5 out of 78 assignments used, quality = 0.99: * HB2 LYS 61 + HE2 LYS 61 OK 88 100 - 88 - 5.0=54, 1.8/2782=11...(47) HB2 LYS 44 + HE3 LYS 44 OK 56 61 - 92 - 4.8=64, 2.9/2201=9...(39) HB2 LYS 44 + HE2 LYS 44 OK 54 59 - 92 - 4.8=64, 2.9/2201=9...(39) HB3 LYS 44 + HE3 LYS 44 OK 50 55 - 92 - 4.8=64, 2.9/2201=9...(39) HB3 LYS 44 + HE2 LYS 44 OK 49 53 - 92 - 4.8=64, 2.9/2201=9...(39) HB2 LYS 61 - HE3 LYS 44 OK 30 86 - 35 - 2772=4, 1.8/2782=4...(9) HB2 LYS 61 - HE2 LYS 44 OK 29 84 - 35 - 2772=4, 2772/1.8=4...(9) HB2 LYS 94 - HE2 LYS 61 OK 29 90 - 32 - 3862/1.8=2, ~3871=2...(12) HB2 LYS 44 - HE2 LYS 61 OK 28 78 - 36 - 2.9/2201=3, 2.9/2210=2...(19) HB3 LYS 44 - HE2 LYS 61 OK 25 71 - 36 - 2.9/2201=3, 2.9/2210=2...(19) HB2 LYS 61 - HE2 LYS 35 OK 20 91 - 22 - 2772=3, 1.8/2782=3...(7) HB2 LYS 61 - HE3 LYS 35 OK 20 91 - 22 - 2772=3, 1.8/2782=3...(7) HB ILE 37 - HE2 LYS 61 OK 13 89 - 15 - 2.1/5286=4, 5268/2.9=2...(6) HB2 LYS 44 - HE2 LYS 35 OK 12 66 - 18 - 2.9/2201=2, 2.9/2210=1...(7) HB2 LYS 44 - HE3 LYS 35 OK 12 66 - 18 - 2.9/2201=2, 2.9/2210=1...(7) HB2 LYS 94 - HE3 LYS 44 OK 12 73 - 16 - HB2 LYS 94 - HE2 LYS 44 OK 11 71 - 16 - HB3 LYS 44 - HE3 LYS 35 OK 11 59 - 18 - 2.9/2201=2, 2.9/2210=1...(7) HB3 LYS 44 - HE2 LYS 35 OK 11 59 - 18 - 2.9/2201=2, 2.9/2210=1...(7) HB ILE 37 - HE2 LYS 41 poor 9 44 - 21 - 2.1/5286=5, ~2129=3...(6) HB ILE 39 - HE2 LYS 61 lone 7 90 - 8 - 3.9/5363=4 HG LEU 62 - HE2 LYS 61 poor 7 65 - 11 - ~5957=2, ~5955=2, 3.7/7204=1 HB2 PRO 74 - HE2 LYS 41 poor 6 56 - 11 - 3.9/933=4, ~5487=2...(6) HB2 LYS 94 - HE2 LYS 35 lone 6 78 - 8 - 4.0/1854=1 HB2 LYS 94 - HE3 LYS 35 lone 6 78 - 8 - 4.0/1854=1 HB ILE 37 - HE3 LYS 44 lone 4 71 - 5 - HB ILE 37 - HE2 LYS 44 lone 4 69 - 5 - HB ILE 39 - HE2 LYS 41 lone 3 45 - 8 - 3.9/5363=3, ~2127=1 HB2 PRO 74 - HE2 LYS 61 lone 3 100 - 3 - 3.9/933=2 HB ILE 16 - HE2 LYS 61 lone 3 83 - 4 - HB2 LYS 61 - HE2 LYS 41 lone 3 56 - 5 - HB ILE 39 - HE3 LYS 35 lone 3 78 - 4 - HB ILE 39 - HE2 LYS 35 lone 3 78 - 4 - HB ILE 37 - HE2 LYS 35 lone 3 76 - 4 - HB ILE 37 - HE3 LYS 35 lone 3 76 - 4 - HB ILE 39 - HE3 LYS 44 lone 2 73 - 3 - HB ILE 16 - HE2 LYS 41 lone 2 40 - 6 - ~4589=1, 2.1/5286=1 HB ILE 39 - HE2 LYS 44 lone 2 71 - 3 - HB ILE 16 - HE3 LYS 44 lone 2 65 - 3 - HB ILE 16 - HE2 LYS 44 lone 2 63 - 3 - HB2 LYS 94 - HE2 LYS 41 lone 2 45 - 5 - HB ILE 27 - HE3 LYS 44 lone 2 48 - 4 - HD3 LYS 77 - HE3 LYS 44 lone 2 46 - 4 - HB ILE 27 - HE2 LYS 44 lone 2 46 - 4 - HD3 LYS 77 - HE2 LYS 61 lone 2 60 - 3 - HD3 LYS 77 - HE2 LYS 44 lone 2 44 - 4 - HB2 LYS 44 - HE2 LYS 41 lone 1 37 - 4 - HB2 PRO 92 - HE2 LYS 35 lone 1 49 - 3 - HB2 PRO 92 - HE3 LYS 35 lone 1 49 - 3 - HB3 GLU 65 - HE2 LYS 61 lone 1 93 - 1 - HB3 LYS 44 - HE2 LYS 41 lone 1 32 - 4 - HG LEU 62 - HE3 LYS 35 lone 1 54 - 2 - HG LEU 62 - HE2 LYS 35 lone 1 54 - 2 - HB2 PRO 92 - HE2 LYS 61 lone 1 60 - 2 - HG LEU 62 - HE3 LYS 44 lone 1 50 - 2 - HB ILE 16 - HE2 LYS 35 lone 1 70 - 2 - HB ILE 16 - HE3 LYS 35 lone 1 70 - 2 - HB2 PRO 74 - HE3 LYS 44 lone 1 86 - 1 - HG LEU 62 - HE2 LYS 44 lone 1 48 - 2 - HB2 PRO 74 - HE2 LYS 44 lone 1 84 - 1 - HB ILE 27 - HE2 LYS 61 lone 1 63 - 2 - HB2 PRO 74 - HE3 LYS 35 lone 1 91 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 91 - 1 - HD3 LYS 77 - HE3 LYS 35 lone 1 49 - 2 - HD3 LYS 77 - HE2 LYS 35 lone 1 49 - 2 - HB3 GLU 65 - HE3 LYS 44 lone 1 76 - 1 - HB2 PRO 92 - HE3 LYS 44 lone 1 46 - 2 - HB3 GLU 65 - HE2 LYS 44 lone 1 74 - 1 - HB2 PRO 92 - HE2 LYS 44 lone 1 44 - 2 - HB3 GLU 65 - HE3 LYS 35 lone 1 81 - 1 - HB3 GLU 65 - HE2 LYS 35 lone 1 81 - 1 - HB3 GLU 65 - HE2 LYS 41 lone 1 47 - 1 - HB ILE 27 - HE3 LYS 35 lone 1 52 - 1 - HB ILE 27 - HE2 LYS 35 lone 1 52 - 1 - HB ILE 27 - HE2 LYS 41 lone 0 28 - 1 - HG LEU 62 - HE2 LYS 41 lone 0 30 - 1 - HD3 LYS 77 - HE2 LYS 41 lone 0 27 - 1 - HB2 PRO 92 - HE2 LYS 41 lone 0 27 - 1 - Peak 2827 from cnoeabs.peaks (1.66, 3.03, 41.92 ppm; 2.68 A): 7 out of 108 assignments used, quality = 1.00: HD2 LYS 61 + HE2 LYS 61 OK 65 76 - 86 - 2.9=77, 1.8/2822=3...(12) HD3 LYS 61 + HE2 LYS 61 OK 65 76 - 86 - 2.9=77, 1.8/2822=3...(12) HD2 LYS 44 + HE3 LYS 44 OK 50 59 - 85 - 3.0=75, 3.0/2201=4...(22) HD2 LYS 44 + HE2 LYS 44 OK 48 57 - 85 - 3.0=75, 3.0/2201=4...(22) HD3 LYS 44 + HE3 LYS 44 OK 48 57 - 85 - 3.0=75, 3.0/2201=4...(22) * HB3 LYS 61 + HE2 LYS 61 OK 47 100 - 47 - 5.0=15, 1.8/2772=3...(15) HD3 LYS 44 + HE2 LYS 44 OK 47 55 - 85 - 3.0=75, 3.0/2201=4...(22) HD3 LYS 35 - HE3 LYS 35 OK 43 54 - 80 - 3.0=73, 3.0/1832=4...(12) HD3 LYS 35 - HE2 LYS 35 OK 43 54 - 80 - 3.0=73, 3.0/1832=4...(12) HB3 LYS 61 - HE3 LYS 44 OK 12 86 - 14 - 2782=1, 1.8/2772=1...(4) HB3 LYS 61 - HE2 LYS 44 OK 12 84 - 14 - 2782/1.8=1, 2782=1...(4) HD2 LYS 44 - HE2 LYS 61 poor 10 76 - 13 - 3.0/2201=1 HD3 LYS 44 - HE2 LYS 61 poor 9 73 - 13 - 3.0/2201=1 HD3 LYS 94 - HE2 LYS 61 poor 9 85 - 10 - HD2 LYS 94 - HE2 LYS 61 poor 9 85 - 10 - HB2 MET 50 - HE2 LYS 41 poor 8 53 - 16 - 4.1/5694=5, 5662/4.8=4...(4) HB3 LYS 61 - HE3 LYS 35 lone 8 91 - 9 - HB3 LYS 61 - HE2 LYS 35 lone 8 91 - 9 - HD2 LYS 61 - HE3 LYS 44 poor 7 59 - 11 - HD3 LYS 61 - HE3 LYS 44 poor 7 59 - 11 - HD3 LYS 61 - HE2 LYS 44 poor 6 57 - 11 - HD2 LYS 61 - HE2 LYS 44 poor 6 57 - 11 - HD3 LYS 35 - HE3 LYS 44 poor 6 50 - 12 - 3.0/1832=2, 3.0/1822=2...(4) HD3 LYS 35 - HE2 LYS 61 lone 6 65 - 9 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 35 - HE2 LYS 44 poor 6 48 - 12 - 3.0/1832=2, 3.0/1822=2...(4) HD2 LYS 44 - HE2 LYS 35 lone 5 64 - 7 - HD2 LYS 44 - HE3 LYS 35 lone 5 64 - 7 - HD3 LYS 44 - HE3 LYS 35 lone 4 61 - 7 - HD3 LYS 44 - HE2 LYS 35 lone 4 61 - 7 - HG12 ILE 40 - HE3 LYS 35 lone 4 74 - 6 - 5420/5.9=2, 2027/3.0=2, ~2041=1 HG12 ILE 40 - HE2 LYS 35 lone 4 74 - 6 - 5420/5.9=2, 2027/3.0=2, ~2041=1 HD2 LYS 61 - HE3 LYS 35 lone 4 64 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 4 64 - 6 - HD3 LYS 61 - HE3 LYS 35 lone 4 64 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 4 64 - 6 - HD3 LYS 63 - HE2 LYS 61 lone 4 76 - 5 - HD2 LYS 94 - HE3 LYS 44 lone 4 67 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 4 67 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 3 65 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 3 65 - 5 - QB ALA 79 - HE2 LYS 41 lone 2 51 - 4 - HD2 LYS 94 - HE3 LYS 35 lone 2 72 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 72 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 72 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 72 - 2 - HB ILE 40 - HE2 LYS 35 lone 1 61 - 2 - HB ILE 40 - HE3 LYS 35 lone 1 61 - 2 - QB ALA 79 - HE2 LYS 61 lone 1 97 - 1 - HB2 MET 50 - HE2 LYS 61 lone 1 99 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 86 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 84 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 81 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 1 59 - 2 - HB3 LYS 61 - HE2 LYS 41 lone 1 56 - 2 - QB ALA 79 - HE2 LYS 44 lone 1 79 - 1 - HD3 LYS 63 - HE2 LYS 44 lone 1 57 - 2 - HG12 ILE 40 - HE3 LYS 44 lone 1 69 - 1 - HG12 ILE 40 - HE2 LYS 44 lone 1 67 - 1 - HG12 ILE 40 - HE2 LYS 61 lone 1 87 - 1 - HD2 LYS 61 - HE2 LYS 41 lone 1 35 - 2 - HD3 LYS 61 - HE2 LYS 41 lone 1 35 - 2 - HB ILE 40 - HE3 LYS 44 lone 1 57 - 1 - HD3 LYS 94 - HE2 LYS 41 lone 1 41 - 1 - HD2 LYS 94 - HE2 LYS 41 lone 1 41 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 55 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 64 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 64 - 1 - HB2 MET 50 - HE3 LYS 44 lone 1 83 - 1 - HG12 ILE 27 - HE2 LYS 61 lone 1 100 - 1 - HB2 MET 50 - HE2 LYS 44 lone 1 81 - 1 - HD2 LYS 44 - HE2 LYS 41 lone 1 35 - 2 - HD3 LYS 44 - HE2 LYS 41 lone 1 34 - 2 - QB ALA 79 - HE3 LYS 35 lone 0 86 - 1 - QB ALA 79 - HE2 LYS 35 lone 0 86 - 1 - HB ILE 40 - HE2 LYS 61 lone 0 73 - 1 - HB2 MET 50 - HE2 LYS 35 lone 0 88 - 1 - HB2 MET 50 - HE3 LYS 35 lone 0 88 - 1 - HG12 ILE 27 - HE3 LYS 35 lone 0 91 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 91 - 0 - HG3 GLN 19 - HE2 LYS 61 lone 0 97 - 0 - HG12 ILE 27 - HE2 LYS 41 lone 0 56 - 1 - HG3 ARG 57 - HE2 LYS 61 lone 0 78 - 0 - HB ILE 40 - HE2 LYS 41 lone 0 34 - 1 - HG2 ARG 57 - HE2 LYS 61 lone 0 73 - 0 - HG12 ILE 40 - HE2 LYS 41 lone 0 42 - 1 - HG3 GLN 19 - HE3 LYS 44 lone 0 80 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 61 - 0 - HG3 GLN 19 - HE2 LYS 44 lone 0 78 - 0 - HB VAL 18 - HE2 LYS 61 lone 0 81 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 59 - 0 - HG3 GLN 19 - HE2 LYS 35 lone 0 85 - 0 - HG3 GLN 19 - HE3 LYS 35 lone 0 85 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 57 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 66 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 66 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 55 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 61 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 61 - 0 - HB VAL 18 - HE2 LYS 35 lone 0 68 - 0 - HB VAL 18 - HE3 LYS 35 lone 0 68 - 0 - HB VAL 18 - HE3 LYS 44 lone 0 63 - 0 - HB VAL 18 - HE2 LYS 44 lone 0 61 - 0 - HG3 GLN 19 - HE2 LYS 41 lone 0 50 - 0 - HD3 LYS 63 - HE2 LYS 41 lone 0 35 - 0 - HB VAL 18 - HE2 LYS 41 lone 0 38 - 0 - HG3 ARG 57 - HE2 LYS 41 lone 0 37 - 0 - HG2 ARG 57 - HE2 LYS 41 lone 0 34 - 0 - HD3 LYS 35 - HE2 LYS 41 lone 0 30 - 0 - Peak 2828 from cnoeabs.peaks (1.42, 3.03, 41.92 ppm; 3.65 A): 2 out of 60 assignments used, quality = 1.00: * HG2 LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 3.9=82, 3.0/2782=7...(73) HG3 LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 3.9=82, 3.0/2782=7...(73) HG2 LYS 41 - HE2 LYS 41 OK 35 35 - 98 - 3.8=92, ~2131=18...(23) HG2 LYS 61 - HE3 LYS 44 OK 27 86 - 31 - 3.0/2782=3, 3.0/2772=2...(10) HG3 LYS 61 - HE3 LYS 44 OK 27 86 - 31 - 3.0/2782=3, 3.0/2772=2...(10) HG2 LYS 61 - HE2 LYS 44 OK 26 84 - 31 - 3.0/2782=2, 3.0/2772=2...(10) HG3 LYS 61 - HE2 LYS 44 OK 26 84 - 31 - 3.0/2782=2, 3.0/2772=2...(10) HG2 LYS 63 - HE2 LYS 61 OK 21 95 - 22 - 2802=1, 1.8/2802=1 HG3 LYS 63 - HE2 LYS 61 OK 21 95 - 22 - 2802=1, 1.8/2802=1 HG3 LYS 61 - HE3 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG3 LYS 61 - HE2 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG2 LYS 61 - HE2 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG2 LYS 61 - HE3 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG3 LYS 94 - HE2 LYS 61 OK 18 81 - 22 - 3890/2.9=1, 3890/2.9=1 HG3 LYS 45 - HE2 LYS 61 OK 11 87 - 12 - HG3 LYS 45 - HE3 LYS 44 poor 9 69 - 13 - 4.9/4182=1, 2078/3.9=1 HG3 LYS 45 - HE2 LYS 44 poor 8 67 - 13 - 4.9/4182=1, 2078/3.9=1 HG2 LYS 41 - HE2 LYS 61 poor 8 76 - 10 - 3.0/2064=2, 4.0/2054=2 HG3 LYS 94 - HE3 LYS 44 poor 7 63 - 12 - HG3 LYS 94 - HE2 LYS 44 poor 7 61 - 12 - QB ALA 78 - HE3 LYS 44 poor 7 61 - 11 - 6442/3.0=2, 6441/3.0=2...(7) QB ALA 78 - HE2 LYS 44 poor 7 59 - 11 - 6442/3.0=2, 6441/3.0=2...(7) HG3 LYS 63 - HE3 LYS 44 lone 5 77 - 6 - HG2 LYS 63 - HE3 LYS 44 lone 5 77 - 6 - HG2 LYS 63 - HE2 LYS 44 lone 5 75 - 6 - HG3 LYS 63 - HE2 LYS 44 lone 5 75 - 6 - QB ALA 78 - HE2 LYS 61 lone 5 78 - 6 - HG3 LYS 45 - HE2 LYS 41 poor 4 42 - 10 - ~2131=2, 2130/1.8=2 HG2 LYS 61 - HE2 LYS 41 lone 4 56 - 7 - HG3 LYS 61 - HE2 LYS 41 lone 4 56 - 7 - ~2130=1 HD3 LYS 86 - HE2 LYS 61 lone 4 100 - 4 - HG3 LYS 94 - HE2 LYS 35 lone 4 68 - 5 - HG3 LYS 94 - HE3 LYS 35 lone 4 68 - 5 - HD3 LYS 86 - HE2 LYS 41 lone 3 56 - 6 - 3616/3.8=2 HD3 LYS 86 - HE3 LYS 44 lone 3 86 - 3 - HD3 LYS 86 - HE2 LYS 44 lone 3 84 - 3 - HG3 LYS 63 - HE3 LYS 35 lone 3 82 - 3 - HG2 LYS 63 - HE2 LYS 35 lone 3 82 - 3 - HG2 LYS 63 - HE3 LYS 35 lone 3 82 - 3 - HG3 LYS 63 - HE2 LYS 35 lone 3 82 - 3 - QB ALA 78 - HE2 LYS 41 lone 3 37 - 7 - 6454/4.8=2, 2130/1.8=1 HD3 LYS 86 - HE3 LYS 35 lone 2 91 - 2 - HD3 LYS 86 - HE2 LYS 35 lone 2 91 - 2 - HG13 ILE 51 - HE3 LYS 44 lone 2 77 - 3 - HG13 ILE 51 - HE2 LYS 44 lone 2 75 - 3 - HG13 ILE 51 - HE2 LYS 41 lone 2 48 - 4 - ~2128=1 HG13 ILE 51 - HE2 LYS 61 lone 2 95 - 2 - HG13 ILE 51 - HE3 LYS 35 lone 2 82 - 2 - HG13 ILE 51 - HE2 LYS 35 lone 2 82 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 2 59 - 3 - HG2 LYS 41 - HE2 LYS 44 lone 2 57 - 3 - HG3 LYS 45 - HE3 LYS 35 lone 1 74 - 2 - HG3 LYS 45 - HE2 LYS 35 lone 1 74 - 2 - HG3 LYS 94 - HE2 LYS 41 lone 1 38 - 3 - ~2131=1 HG2 LYS 41 - HE3 LYS 35 lone 1 64 - 1 - HG2 LYS 41 - HE2 LYS 35 lone 1 64 - 1 - QB ALA 78 - HE2 LYS 35 lone 1 66 - 1 - QB ALA 78 - HE3 LYS 35 lone 1 66 - 1 - HG2 LYS 63 - HE2 LYS 41 lone 1 48 - 1 - HG3 LYS 63 - HE2 LYS 41 lone 1 48 - 1 - Peak 2829 from cnoeabs.peaks (1.42, 3.03, 41.92 ppm; 3.65 A): 2 out of 60 assignments used, quality = 1.00: * HG3 LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 3.9=82, 3.0/2782=7...(73) HG2 LYS 61 + HE2 LYS 61 OK 96 100 - 96 - 3.9=82, 3.0/2782=7...(73) HG2 LYS 41 - HE2 LYS 41 OK 33 34 - 98 - 3.8=92, ~2131=18...(23) HG3 LYS 61 - HE3 LYS 44 OK 27 86 - 31 - 3.0/2782=3, 3.0/2772=2...(10) HG2 LYS 61 - HE3 LYS 44 OK 26 86 - 31 - 3.0/2782=3, 3.0/2772=2...(10) HG3 LYS 61 - HE2 LYS 44 OK 26 84 - 31 - 3.0/2782=2, 3.0/2772=2...(10) HG2 LYS 61 - HE2 LYS 44 OK 26 84 - 31 - 3.0/2782=2, 3.0/2772=2...(10) HG3 LYS 63 - HE2 LYS 61 OK 21 96 - 22 - 2802=1, 1.8/2802=1 HG2 LYS 63 - HE2 LYS 61 OK 21 96 - 22 - 2802=1, 1.8/2802=1 HG3 LYS 94 - HE2 LYS 61 OK 18 83 - 22 - 3890/2.9=1, 3890/2.9=1 HG3 LYS 61 - HE3 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG3 LYS 61 - HE2 LYS 35 OK 18 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG2 LYS 61 - HE2 LYS 35 OK 17 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG2 LYS 61 - HE3 LYS 35 OK 17 91 - 19 - 3.0/2782=2, 3.0/2772=2...(6) HG3 LYS 45 - HE2 LYS 61 OK 11 85 - 12 - HG3 LYS 45 - HE3 LYS 44 poor 8 67 - 13 - 4.9/4182=1 HG3 LYS 45 - HE2 LYS 44 poor 8 65 - 13 - 4.9/4182=1 HG3 LYS 94 - HE3 LYS 44 poor 8 65 - 12 - HG2 LYS 41 - HE2 LYS 61 poor 7 73 - 10 - 3.0/2064=2, 4.0/2054=2 HG3 LYS 94 - HE2 LYS 44 poor 7 63 - 12 - QB ALA 78 - HE3 LYS 44 poor 6 59 - 11 - 6442/3.0=2, 6441/3.0=2...(6) QB ALA 78 - HE2 LYS 44 poor 6 57 - 11 - 6442/3.0=2, 6441/3.0=2...(6) HG3 LYS 63 - HE3 LYS 44 lone 5 79 - 6 - HG2 LYS 63 - HE3 LYS 44 lone 5 79 - 6 - HG3 LYS 63 - HE2 LYS 44 lone 5 76 - 6 - HG2 LYS 63 - HE2 LYS 44 lone 5 76 - 6 - QB ALA 78 - HE2 LYS 61 lone 4 76 - 6 - HG3 LYS 45 - HE2 LYS 41 poor 4 41 - 10 - ~2131=2, 2130/1.8=2 HG2 LYS 61 - HE2 LYS 41 lone 4 56 - 7 - HG3 LYS 61 - HE2 LYS 41 lone 4 56 - 7 - ~2130=1 HD3 LYS 86 - HE2 LYS 61 lone 4 100 - 4 - HG3 LYS 94 - HE2 LYS 35 lone 4 70 - 5 - HG3 LYS 94 - HE3 LYS 35 lone 4 70 - 5 - HD3 LYS 86 - HE2 LYS 41 lone 3 56 - 6 - 3616/3.8=2 HD3 LYS 86 - HE3 LYS 44 lone 3 86 - 3 - HD3 LYS 86 - HE2 LYS 44 lone 3 84 - 3 - HG3 LYS 63 - HE3 LYS 35 lone 3 84 - 3 - HG2 LYS 63 - HE2 LYS 35 lone 3 84 - 3 - HG2 LYS 63 - HE3 LYS 35 lone 3 84 - 3 - HG3 LYS 63 - HE2 LYS 35 lone 3 84 - 3 - QB ALA 78 - HE2 LYS 41 lone 2 35 - 7 - 6454/4.8=2, 2130/1.8=1 HD3 LYS 86 - HE3 LYS 35 lone 2 91 - 2 - HD3 LYS 86 - HE2 LYS 35 lone 2 91 - 2 - HG13 ILE 51 - HE3 LYS 44 lone 2 79 - 3 - HG13 ILE 51 - HE2 LYS 44 lone 2 76 - 3 - HG13 ILE 51 - HE2 LYS 41 lone 2 49 - 4 - ~2128=1 HG13 ILE 51 - HE2 LYS 61 lone 2 96 - 2 - HG13 ILE 51 - HE3 LYS 35 lone 2 84 - 2 - HG13 ILE 51 - HE2 LYS 35 lone 2 84 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 1 57 - 3 - HG2 LYS 41 - HE2 LYS 44 lone 1 55 - 3 - HG3 LYS 45 - HE3 LYS 35 lone 1 72 - 2 - HG3 LYS 45 - HE2 LYS 35 lone 1 72 - 2 - HG3 LYS 94 - HE2 LYS 41 lone 1 40 - 3 - ~2131=1 HG2 LYS 41 - HE2 LYS 35 lone 1 61 - 1 - HG2 LYS 41 - HE3 LYS 35 lone 1 61 - 1 - QB ALA 78 - HE2 LYS 35 lone 1 64 - 1 - QB ALA 78 - HE3 LYS 35 lone 1 64 - 1 - HG2 LYS 63 - HE2 LYS 41 lone 1 49 - 1 - HG3 LYS 63 - HE2 LYS 41 lone 1 49 - 1 - Peak 2830 from cnoeabs.peaks (1.68, 3.03, 41.92 ppm; 2.52 A): 8 out of 108 assignments used, quality = 1.00: HD3 LYS 61 + HE2 LYS 61 OK 76 100 - 76 - 2.9=63, 1.8/2812=3...(8) * HD2 LYS 61 + HE2 LYS 61 OK 76 100 - 76 - 2.9=63, 1.8/2812=3...(8) HD2 LYS 44 + HE3 LYS 44 OK 65 86 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 44 + HE3 LYS 44 OK 65 86 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 35 + HE2 LYS 35 OK 64 90 - 71 - 3.0=60, 1846/4.9=6...(12) HD3 LYS 35 + HE3 LYS 35 OK 64 90 - 71 - 3.0=60, 1846/4.9=6...(12) HD2 LYS 44 + HE2 LYS 44 OK 64 84 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 44 + HE2 LYS 44 OK 64 84 - 76 - 3.0=62, 2198/3.9=4...(22) HB3 LYS 61 - HE2 LYS 61 OK 31 76 - 40 - 5.0=13, 1.8/2772=3...(12) HD2 LYS 44 - HE2 LYS 61 OK 11 100 - 12 - 3.0/2201=1 HD3 LYS 44 - HE2 LYS 61 OK 11 100 - 12 - 3.0/2201=1 HD3 LYS 61 - HE3 LYS 44 poor 9 86 - 11 - HD2 LYS 61 - HE3 LYS 44 poor 9 86 - 11 - HD3 LYS 35 - HE3 LYS 44 poor 9 86 - 10 - 3.0/1833=2, 3.0/1823=1 HD3 LYS 61 - HE2 LYS 44 poor 9 84 - 11 - HD2 LYS 61 - HE2 LYS 44 poor 9 84 - 11 - HD3 LYS 35 - HE2 LYS 44 poor 9 83 - 10 - 3.0/1833=2, 3.0/1822=1 HD3 LYS 94 - HE2 LYS 61 lone 8 100 - 9 - HD2 LYS 94 - HE2 LYS 61 lone 8 100 - 9 - HD3 LYS 35 - HE2 LYS 61 lone 8 100 - 8 - 3.0/1832=1, 3.0/1822=1 HB3 LYS 61 - HE3 LYS 44 poor 7 59 - 12 - 1.8/2772=1 HB3 LYS 61 - HE2 LYS 44 poor 7 57 - 12 - HD2 LYS 44 - HE2 LYS 35 lone 6 91 - 7 - HD2 LYS 44 - HE3 LYS 35 lone 6 91 - 7 - HD3 LYS 44 - HE2 LYS 35 lone 6 91 - 7 - HD3 LYS 44 - HE3 LYS 35 lone 6 91 - 7 - HD3 LYS 61 - HE3 LYS 35 lone 6 91 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 6 91 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 6 91 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 6 91 - 6 - HD3 LYS 63 - HE2 LYS 61 lone 5 100 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 4 64 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 64 - 7 - HD2 LYS 94 - HE3 LYS 44 lone 4 86 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 4 86 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 4 83 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 83 - 5 - HB ILE 40 - HE3 LYS 35 lone 3 91 - 4 - 1801/4.9=1 HB ILE 40 - HE2 LYS 35 lone 3 91 - 4 - 1801/4.9=1 HD3 LYS 45 - HE3 LYS 44 lone 3 65 - 5 - HD3 LYS 45 - HE2 LYS 61 lone 3 83 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 63 - 5 - HD2 LYS 45 - HE2 LYS 61 lone 3 78 - 4 - HD2 LYS 45 - HE3 LYS 44 lone 3 61 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 3 59 - 5 - HG12 ILE 39 - HE2 LYS 61 lone 2 97 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 90 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 90 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 90 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 90 - 2 - QB ALA 79 - HE2 LYS 41 lone 1 48 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 86 - 2 - HD3 LYS 63 - HE2 LYS 44 lone 1 84 - 2 - HB ILE 40 - HE3 LYS 44 lone 1 86 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 84 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 85 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 85 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 95 - 1 - HD3 LYS 45 - HE2 LYS 41 lone 1 40 - 3 - HD2 LYS 45 - HE2 LYS 41 lone 1 37 - 3 - HD2 LYS 77 - HE3 LYS 44 lone 1 63 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 77 - 1 - HD3 LYS 61 - HE2 LYS 41 lone 1 56 - 2 - HD2 LYS 61 - HE2 LYS 41 lone 1 56 - 2 - HD2 LYS 77 - HE2 LYS 44 lone 1 61 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 75 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 80 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 91 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 91 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 81 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 78 - 1 - HB ILE 40 - HE2 LYS 41 lone 1 56 - 2 - HG12 ILE 39 - HE2 LYS 41 lone 1 50 - 2 - HD3 LYS 44 - HE2 LYS 41 lone 1 56 - 1 - HD2 LYS 44 - HE2 LYS 41 lone 1 56 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 100 - 1 - HD3 LYS 94 - HE2 LYS 41 lone 1 55 - 1 - HD2 LYS 94 - HE2 LYS 41 lone 1 55 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 59 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 57 - 1 - QB ALA 79 - HE2 LYS 35 lone 1 82 - 1 - QB ALA 79 - HE3 LYS 35 lone 1 82 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 68 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 68 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 70 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 70 - 1 - HB3 LYS 61 - HE2 LYS 41 lone 0 35 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 66 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 66 - 1 - HG3 ARG 57 - HE2 LYS 61 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 86 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 86 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 84 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 84 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 91 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 91 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 91 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 91 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 64 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 64 - 0 - HD3 LYS 35 - HE2 LYS 41 lone 0 55 - 0 - HD3 LYS 63 - HE2 LYS 41 lone 0 56 - 0 - HD2 LYS 77 - HE2 LYS 41 lone 0 38 - 0 - HG2 ARG 57 - HE2 LYS 41 lone 0 56 - 0 - HG3 ARG 57 - HE2 LYS 41 lone 0 56 - 0 - HG12 ILE 27 - HE2 LYS 41 lone 0 35 - 0 - Peak 2831 from cnoeabs.peaks (1.68, 3.03, 41.92 ppm; 2.52 A): 8 out of 108 assignments used, quality = 1.00: * HD3 LYS 61 + HE2 LYS 61 OK 76 100 - 76 - 2.9=63, 1.8/2812=3...(8) HD2 LYS 61 + HE2 LYS 61 OK 76 100 - 76 - 2.9=63, 1.8/2812=3...(8) HD2 LYS 44 + HE3 LYS 44 OK 65 86 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 44 + HE3 LYS 44 OK 65 86 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 35 + HE2 LYS 35 OK 64 90 - 71 - 3.0=60, 1846/4.9=6...(12) HD3 LYS 35 + HE3 LYS 35 OK 64 90 - 71 - 3.0=60, 1846/4.9=6...(12) HD2 LYS 44 + HE2 LYS 44 OK 64 84 - 76 - 3.0=62, 2198/3.9=4...(22) HD3 LYS 44 + HE2 LYS 44 OK 64 84 - 76 - 3.0=62, 2198/3.9=4...(22) HB3 LYS 61 - HE2 LYS 61 OK 31 76 - 40 - 5.0=13, 1.8/2772=3...(12) HD2 LYS 44 - HE2 LYS 61 OK 11 100 - 12 - 3.0/2201=1 HD3 LYS 44 - HE2 LYS 61 OK 11 100 - 12 - 3.0/2201=1 HD3 LYS 61 - HE3 LYS 44 poor 9 86 - 11 - HD2 LYS 61 - HE3 LYS 44 poor 9 86 - 11 - HD3 LYS 35 - HE3 LYS 44 poor 9 86 - 10 - 3.0/1833=2, 3.0/1823=1 HD3 LYS 61 - HE2 LYS 44 poor 9 84 - 11 - HD2 LYS 61 - HE2 LYS 44 poor 9 84 - 11 - HD3 LYS 35 - HE2 LYS 44 poor 9 83 - 10 - 3.0/1833=2, 3.0/1822=1 HD3 LYS 94 - HE2 LYS 61 lone 8 100 - 9 - HD2 LYS 94 - HE2 LYS 61 lone 8 100 - 9 - HD3 LYS 35 - HE2 LYS 61 lone 8 100 - 8 - 3.0/1832=1, 3.0/1822=1 HB3 LYS 61 - HE3 LYS 44 poor 7 59 - 12 - 1.8/2772=1 HB3 LYS 61 - HE2 LYS 44 poor 7 57 - 12 - HD2 LYS 44 - HE2 LYS 35 lone 6 91 - 7 - HD2 LYS 44 - HE3 LYS 35 lone 6 91 - 7 - HD3 LYS 44 - HE2 LYS 35 lone 6 91 - 7 - HD3 LYS 44 - HE3 LYS 35 lone 6 91 - 7 - HD3 LYS 61 - HE3 LYS 35 lone 6 91 - 6 - HD2 LYS 61 - HE2 LYS 35 lone 6 91 - 6 - HD2 LYS 61 - HE3 LYS 35 lone 6 91 - 6 - HD3 LYS 61 - HE2 LYS 35 lone 6 91 - 6 - HD3 LYS 63 - HE2 LYS 61 lone 5 100 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 4 64 - 7 - HB3 LYS 61 - HE2 LYS 35 lone 4 64 - 7 - HD2 LYS 94 - HE3 LYS 44 lone 4 86 - 5 - HD3 LYS 94 - HE3 LYS 44 lone 4 86 - 5 - HD2 LYS 94 - HE2 LYS 44 lone 4 83 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 83 - 5 - HB ILE 40 - HE3 LYS 35 lone 3 91 - 4 - 1801/4.9=1 HB ILE 40 - HE2 LYS 35 lone 3 91 - 4 - 1801/4.9=1 HD3 LYS 45 - HE3 LYS 44 lone 3 65 - 5 - HD3 LYS 45 - HE2 LYS 61 lone 3 83 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 63 - 5 - HD2 LYS 45 - HE2 LYS 61 lone 3 78 - 4 - HD2 LYS 45 - HE3 LYS 44 lone 3 61 - 5 - HD2 LYS 45 - HE2 LYS 44 lone 3 59 - 5 - HG12 ILE 39 - HE2 LYS 61 lone 2 97 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 2 90 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 2 90 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 2 90 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 2 90 - 2 - QB ALA 79 - HE2 LYS 41 lone 1 48 - 3 - HD3 LYS 63 - HE3 LYS 44 lone 1 86 - 2 - HD3 LYS 63 - HE2 LYS 44 lone 1 84 - 2 - HB ILE 40 - HE3 LYS 44 lone 1 86 - 1 - HB ILE 40 - HE2 LYS 44 lone 1 84 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 85 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 85 - 1 - QB ALA 79 - HE2 LYS 61 lone 1 95 - 1 - HD3 LYS 45 - HE2 LYS 41 lone 1 40 - 3 - HD2 LYS 45 - HE2 LYS 41 lone 1 37 - 3 - HD2 LYS 77 - HE3 LYS 44 lone 1 63 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 77 - 1 - HD3 LYS 61 - HE2 LYS 41 lone 1 56 - 2 - HD2 LYS 61 - HE2 LYS 41 lone 1 56 - 2 - HD2 LYS 77 - HE2 LYS 44 lone 1 61 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 75 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 1 80 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 91 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 91 - 1 - HD2 LYS 77 - HE2 LYS 61 lone 1 81 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 1 78 - 1 - HB ILE 40 - HE2 LYS 41 lone 1 56 - 2 - HG12 ILE 39 - HE2 LYS 41 lone 1 50 - 2 - HD3 LYS 44 - HE2 LYS 41 lone 1 56 - 1 - HD2 LYS 44 - HE2 LYS 41 lone 1 56 - 1 - HB ILE 40 - HE2 LYS 61 lone 1 100 - 1 - HD3 LYS 94 - HE2 LYS 41 lone 1 55 - 1 - HD2 LYS 94 - HE2 LYS 41 lone 1 55 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 59 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 57 - 1 - QB ALA 79 - HE2 LYS 35 lone 1 82 - 1 - QB ALA 79 - HE3 LYS 35 lone 1 82 - 1 - HD2 LYS 77 - HE2 LYS 35 lone 0 68 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 68 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 70 - 1 - HD3 LYS 45 - HE2 LYS 35 lone 0 70 - 1 - HB3 LYS 61 - HE2 LYS 41 lone 0 35 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 66 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 66 - 1 - HG3 ARG 57 - HE2 LYS 61 lone 0 100 - 0 - HG2 ARG 57 - HE2 LYS 61 lone 0 100 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 86 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 86 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 84 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 84 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 91 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 91 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 91 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 91 - 0 - HG12 ILE 27 - HE2 LYS 61 lone 0 76 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 64 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 64 - 0 - HD3 LYS 35 - HE2 LYS 41 lone 0 55 - 0 - HD3 LYS 63 - HE2 LYS 41 lone 0 56 - 0 - HD2 LYS 77 - HE2 LYS 41 lone 0 38 - 0 - HG2 ARG 57 - HE2 LYS 41 lone 0 56 - 0 - HG3 ARG 57 - HE2 LYS 41 lone 0 56 - 0 - HG12 ILE 27 - HE2 LYS 41 lone 0 35 - 0 - Peak 2832 from cnoeabs.peaks (3.03, 3.03, 41.92 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE2 LYS 35 + HE2 LYS 35 OK 84 84 - 100 HE3 LYS 35 + HE3 LYS 35 OK 84 84 - 100 HE3 LYS 44 + HE3 LYS 44 OK 76 76 - 100 HE2 LYS 44 + HE2 LYS 44 OK 72 72 - 100 HE2 LYS 41 - HE2 LYS 41 OK 42 42 - 100 Peak 2833 from cnoeabs.peaks (3.00, 3.03, 41.92 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 35 + HE3 LYS 35 OK 76 76 - 100 HE2 LYS 35 + HE2 LYS 35 OK 76 76 - 100 HE3 LYS 44 + HE3 LYS 44 OK 74 74 - 100 HE2 LYS 44 + HE2 LYS 44 OK 74 74 - 100 HE2 LYS 61 + HE2 LYS 61 OK 60 60 - 100 Reference assignment not found: HE3 LYS 61 - HE2 LYS 61 Peak 2834 from cnoeabs.peaks (7.76, 3.00, 41.92 ppm; 5.29 A): 3 out of 20 assignments used, quality = 0.90: * H LYS 61 + HE3 LYS 61 OK 82 100 - 82 - 7.3=38, 865/5.0=19...(14) H LYS 61 + HE2 LYS 44 OK 24 86 - 29 - 872=4, 872/1.8=3...(9) H LYS 61 + HE3 LYS 44 OK 24 84 - 28 - 872=4, 872/1.8=3...(9) H LYS 61 - HE3 LYS 63 OK 16 50 - 32 - 2794/3.5=4, 2794/3.5=4...(15) H LYS 61 - HE2 LYS 63 OK 15 47 - 32 - 2794/3.5=4, 2794/3.5=4...(13) H LYS 61 - HE2 LYS 35 OK 14 80 - 18 - 872=2, 872/1.8=2...(8) H LYS 61 - HE3 LYS 35 OK 14 80 - 18 - 872=2, 872/1.8=2...(8) H LYS 61 - HE2 LYS 45 OK 13 97 - 14 - 872=2, 3.6/2773=2...(4) H LYS 61 - HE3 LYS 45 OK 13 97 - 14 - 872=2, 3.6/2773=2...(4) H ASN 91 - HE3 LYS 61 OK 12 99 - 12 - 5924/5913=2, 5925/5916=1...(7) H ASN 91 - HE2 LYS 44 poor 9 84 - 11 - 6750/3.9=3, 6762/6.3=1 H ASN 91 - HE3 LYS 44 poor 9 82 - 11 - 6750/3.9=3, 6762/6.3=1 H LYS 61 - HE2 LYS 94 poor 7 47 - 15 - 2814/3.0=2, 2814/3.0=2...(8) H ASN 91 - HE3 LYS 63 lone 4 48 - 8 - 6748/4.8=1 H ASN 91 - HE3 LYS 35 lone 4 78 - 5 - H ASN 91 - HE2 LYS 35 lone 4 78 - 5 - H ASN 91 - HE2 LYS 63 lone 4 45 - 8 - 6748/4.8=1 H ASN 91 - HE2 LYS 45 lone 3 94 - 3 - H ASN 91 - HE3 LYS 45 lone 3 94 - 3 - H ASN 91 - HE2 LYS 94 lone 2 46 - 4 - Peak 2836 from cnoeabs.peaks (1.84, 3.00, 41.92 ppm; 3.66 A): 4 out of 130 assignments used, quality = 0.97: * HB2 LYS 61 + HE3 LYS 61 OK 75 100 - 75 - 5.0=39, 2772/1.8=8...(23) HB2 LYS 44 + HE2 LYS 44 OK 51 61 - 83 - 4.8=46, 2.9/2200=8...(39) HB2 LYS 44 + HE3 LYS 44 OK 49 59 - 83 - 4.8=46, 2.9/2200=8...(39) HB3 LYS 44 + HE2 LYS 44 OK 45 55 - 83 - 4.8=46, 2.9/2200=8...(39) HB3 LYS 44 - HE3 LYS 44 OK 44 53 - 83 - 4.8=46, 2.9/2200=8...(39) HB2 LYS 94 - HE2 LYS 94 OK 32 38 - 85 - 4.9=41, 3858/3.7=14...(48) HB2 LYS 94 - HE3 LYS 45 OK 24 84 - 28 - 3858/3.5=2, 3862/1.8=2...(9) HB2 LYS 94 - HE2 LYS 45 OK 24 84 - 28 - 3858/3.5=2, 3862/1.8=2...(9) HB2 LYS 44 - HE3 LYS 61 OK 23 78 - 29 - 2.9/2200=2, 2.9/2209=2...(12) HB2 LYS 61 - HE2 LYS 44 OK 23 86 - 26 - 2772/1.8=3, 2773=2...(8) HB2 LYS 61 - HE3 LYS 44 OK 22 84 - 26 - 2772/1.8=3, 2773=2...(8) HB2 LYS 94 - HE3 LYS 61 OK 21 90 - 23 - ~3871=1, ~3870=1...(4) HB3 LYS 44 - HE3 LYS 61 OK 20 71 - 29 - 2.9/2200=2, 2.9/2209=2...(12) HB2 LYS 94 - HE3 LYS 63 OK 17 40 - 43 - 3863/1.8=3, ~3873=3...(12) HB2 LYS 94 - HE2 LYS 63 OK 16 38 - 43 - 3863/1.8=3, ~3873=3...(12) HB2 LYS 44 - HE2 LYS 45 OK 14 72 - 20 - 189/7.3=2, 2.9/2200=1 HB2 LYS 44 - HE3 LYS 45 OK 14 72 - 20 - 189/7.3=2, 2.9/2200=1 HB2 LYS 61 - HE2 LYS 45 OK 13 97 - 13 - 2773=1, 2773/1.8=1, 1.8/2783=1 HB2 LYS 61 - HE3 LYS 45 OK 13 97 - 13 - 2773=1, 2773/1.8=1, 1.8/2783=1 HB3 LYS 44 - HE3 LYS 45 OK 13 65 - 20 - 189/7.3=2, 2.9/2200=1 HB3 LYS 44 - HE2 LYS 45 OK 13 65 - 20 - 189/7.3=2, 2.9/2200=1 HB2 LYS 61 - HE2 LYS 35 OK 13 80 - 16 - 2772/1.8=2, ~2782=1...(4) HB2 LYS 61 - HE3 LYS 35 OK 13 80 - 16 - 2772/1.8=2, ~2782=1...(4) HB2 LYS 61 - HE3 LYS 63 OK 12 50 - 24 - 2773=2, 1.8/2783=2...(5) HB2 LYS 61 - HE2 LYS 63 OK 11 47 - 24 - 2773=2, 2773/1.8=2...(5) HB ILE 37 - HE3 LYS 61 poor 10 89 - 11 - ~5286=3, 5268/2.9=1...(4) HB2 LYS 94 - HE2 LYS 44 poor 9 73 - 12 - HB2 LYS 94 - HE3 LYS 44 poor 9 71 - 12 - HB2 LYS 44 - HE3 LYS 35 poor 8 56 - 14 - 2.9/2200=1, 2.9/2209=1 HB2 LYS 44 - HE2 LYS 35 poor 8 56 - 14 - 2.9/2200=1, 2.9/2209=1 HB3 LYS 44 - HE2 LYS 35 poor 7 50 - 14 - 2.9/2200=1, 2.9/2209=1 HB3 LYS 44 - HE3 LYS 35 poor 7 50 - 14 - 2.9/2200=1, 2.9/2209=1 HB2 LYS 61 - HE2 LYS 94 poor 5 47 - 11 - HG LEU 62 - HE3 LYS 61 lone 5 65 - 8 - ~5957=2, ~5955=1 HB2 LYS 94 - HE3 LYS 35 lone 4 67 - 6 - HB2 LYS 94 - HE2 LYS 35 lone 4 67 - 6 - HB ILE 37 - HE2 LYS 44 lone 3 71 - 4 - HB ILE 37 - HE3 LYS 44 lone 3 69 - 4 - HB ILE 16 - HE3 LYS 61 lone 2 83 - 3 - HB2 LYS 44 - HE2 LYS 94 lone 2 31 - 6 - HG LEU 62 - HE3 LYS 63 lone 2 26 - 8 - 285/6.9=2 HB ILE 39 - HE3 LYS 61 lone 2 90 - 2 - HG LEU 62 - HE2 LYS 63 lone 2 25 - 8 - 285/6.9=2 HB3 LYS 44 - HE2 LYS 94 lone 2 27 - 6 - HB ILE 37 - HE2 LYS 35 lone 2 65 - 2 - HB ILE 37 - HE3 LYS 35 lone 2 65 - 2 - HB ILE 16 - HE2 LYS 44 lone 2 65 - 2 - HD3 LYS 77 - HE2 LYS 44 lone 2 46 - 3 - HB ILE 39 - HE3 LYS 35 lone 2 67 - 2 - HB ILE 39 - HE2 LYS 35 lone 2 67 - 2 - HB ILE 16 - HE3 LYS 44 lone 2 63 - 2 - HB ILE 27 - HE2 LYS 44 lone 2 48 - 3 - HD3 LYS 77 - HE3 LYS 44 lone 2 44 - 3 - HB ILE 27 - HE3 LYS 44 lone 1 46 - 3 - HB ILE 39 - HE2 LYS 44 lone 1 73 - 2 - HD3 LYS 77 - HE2 LYS 45 lone 1 54 - 2 - HD3 LYS 77 - HE3 LYS 45 lone 1 54 - 2 - HB ILE 39 - HE3 LYS 44 lone 1 71 - 2 - HD3 LYS 77 - HE3 LYS 61 lone 1 60 - 2 - HG LEU 62 - HE2 LYS 45 lone 1 60 - 2 - HG LEU 62 - HE3 LYS 45 lone 1 60 - 2 - HB ILE 37 - HE2 LYS 45 lone 1 82 - 1 - HB ILE 37 - HE3 LYS 45 lone 1 82 - 1 - HB ILE 37 - HE2 LYS 94 lone 1 37 - 3 - HB ILE 16 - HE3 LYS 63 lone 1 35 - 3 - HG LEU 62 - HE2 LYS 94 lone 1 25 - 5 - HB ILE 16 - HE2 LYS 63 lone 1 33 - 3 - HB3 GLU 65 - HE2 LYS 94 lone 1 40 - 3 - HB2 PRO 74 - HE3 LYS 61 lone 1 100 - 1 - HB ILE 37 - HE3 LYS 63 lone 1 39 - 2 - HB2 PRO 92 - HE3 LYS 61 lone 1 60 - 1 - HB3 GLU 65 - HE3 LYS 61 lone 1 93 - 1 - HB ILE 16 - HE2 LYS 94 lone 1 34 - 3 - HB2 PRO 92 - HE2 LYS 35 lone 1 41 - 2 - HB2 PRO 92 - HE3 LYS 35 lone 1 41 - 2 - HG LEU 62 - HE2 LYS 44 lone 1 50 - 2 - HB ILE 39 - HE3 LYS 45 lone 1 84 - 1 - HB ILE 39 - HE2 LYS 45 lone 1 84 - 1 - HB ILE 37 - HE2 LYS 63 lone 1 37 - 2 - HD3 LYS 77 - HE3 LYS 63 lone 1 24 - 4 - HB2 LYS 44 - HE3 LYS 63 lone 1 33 - 3 - HG LEU 62 - HE3 LYS 44 lone 1 48 - 2 - HB3 GLU 65 - HE2 LYS 45 lone 1 87 - 1 - HB3 GLU 65 - HE3 LYS 45 lone 1 87 - 1 - HD3 LYS 77 - HE2 LYS 63 lone 1 22 - 4 - HB2 LYS 44 - HE2 LYS 63 lone 1 31 - 3 - HB ILE 27 - HE3 LYS 61 lone 1 63 - 1 - HG LEU 62 - HE3 LYS 35 lone 1 46 - 2 - HG LEU 62 - HE2 LYS 35 lone 1 46 - 2 - HB3 LYS 44 - HE3 LYS 63 lone 1 29 - 3 - HB3 GLU 65 - HE2 LYS 44 lone 1 76 - 1 - HB3 GLU 65 - HE3 LYS 63 lone 1 42 - 2 - HB2 PRO 74 - HE2 LYS 44 lone 1 86 - 1 - HB ILE 39 - HE2 LYS 94 lone 1 38 - 2 - HB3 GLU 65 - HE3 LYS 44 lone 1 74 - 1 - HB2 PRO 92 - HE2 LYS 44 lone 1 46 - 1 - HB2 PRO 74 - HE3 LYS 44 lone 1 84 - 1 - HB3 LYS 44 - HE2 LYS 63 lone 1 27 - 2 - HB2 PRO 74 - HE2 LYS 45 lone 1 97 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 1 97 - 1 - HB3 GLU 65 - HE2 LYS 63 lone 1 40 - 2 - HB2 PRO 92 - HE3 LYS 44 lone 1 44 - 1 - HD3 LYS 77 - HE2 LYS 35 lone 1 41 - 2 - HD3 LYS 77 - HE3 LYS 35 lone 1 41 - 2 - HB ILE 16 - HE3 LYS 45 lone 1 76 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 76 - 1 - HB ILE 16 - HE2 LYS 35 lone 1 60 - 1 - HB ILE 16 - HE3 LYS 35 lone 1 60 - 1 - HB2 PRO 74 - HE2 LYS 35 lone 1 80 - 1 - HB2 PRO 74 - HE3 LYS 35 lone 1 80 - 1 - HB ILE 27 - HE2 LYS 45 lone 1 57 - 1 - HB ILE 27 - HE3 LYS 45 lone 1 57 - 1 - HB3 GLU 65 - HE2 LYS 35 lone 0 70 - 1 - HB3 GLU 65 - HE3 LYS 35 lone 0 70 - 1 - HB2 PRO 74 - HE3 LYS 63 lone 0 50 - 1 - HB2 PRO 74 - HE2 LYS 63 lone 0 47 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 0 54 - 1 - HB2 PRO 92 - HE2 LYS 45 lone 0 54 - 1 - HB ILE 39 - HE3 LYS 63 lone 0 40 - 1 - HB ILE 27 - HE3 LYS 35 lone 0 43 - 1 - HB ILE 27 - HE2 LYS 35 lone 0 43 - 1 - HB2 PRO 92 - HE3 LYS 63 lone 0 24 - 2 - HB2 PRO 74 - HE2 LYS 94 lone 0 47 - 1 - HB ILE 39 - HE2 LYS 63 lone 0 38 - 1 - HB2 PRO 92 - HE2 LYS 63 lone 0 22 - 2 - HB ILE 27 - HE2 LYS 94 lone 0 24 - 1 - HB ILE 27 - HE3 LYS 63 lone 0 25 - 1 - HB ILE 27 - HE2 LYS 63 lone 0 23 - 1 - HD3 LYS 77 - HE2 LYS 94 lone 0 22 - 1 - HB2 PRO 92 - HE2 LYS 94 lone 0 22 - 1 - Peak 2837 from cnoeabs.peaks (1.66, 3.00, 41.92 ppm; 2.61 A): 5 out of 180 assignments used, quality = 0.98: HD3 LYS 61 + HE3 LYS 61 OK 61 76 - 80 - 2.9=71, 2812/1.8=2...(15) HD2 LYS 61 + HE3 LYS 61 OK 61 76 - 80 - 2.9=71, 2812/1.8=2...(15) HD2 LYS 44 + HE2 LYS 44 OK 48 59 - 81 - 3.0=69, 3.0/2200=4...(22) HD2 LYS 44 + HE3 LYS 44 OK 46 57 - 81 - 3.0=69, 3.0/2200=4...(22) HD3 LYS 44 + HE2 LYS 44 OK 46 57 - 81 - 3.0=69, 3.0/2200=4...(22) HD3 LYS 44 - HE3 LYS 44 OK 44 55 - 81 - 3.0=69, 3.0/2200=4...(22) ! HB3 LYS 61 - HE3 LYS 61 OK 41 100 - 41 - 5.0=14, 2782/1.8=3...(16) HD3 LYS 35 - HE2 LYS 35 OK 34 46 - 75 - 3.0=67, 1846/4.9=4...(11) HD3 LYS 35 - HE3 LYS 35 OK 34 46 - 75 - 3.0=67, 1846/4.9=4...(11) HD2 LYS 94 - HE2 LYS 94 OK 28 35 - 81 - 3.0=69, 3891/3.7=3...(21) HD3 LYS 94 - HE2 LYS 94 OK 28 35 - 81 - 3.0=69, 3891/3.7=3...(21) HD3 LYS 63 - HE3 LYS 63 OK 25 31 - 78 - 3.0=69, ~2941=2, ~2940=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 23 29 - 78 - 3.0=69, ~2941=2, ~2940=2...(10) HB3 LYS 61 - HE2 LYS 44 OK 11 86 - 12 - 2782/1.8=1 HB3 LYS 61 - HE3 LYS 44 OK 10 84 - 12 - 2782/1.8=1 HD2 LYS 44 - HE3 LYS 61 poor 9 76 - 12 - 3.0/2200=1 HD3 LYS 44 - HE3 LYS 61 poor 9 73 - 12 - 3.0/2200=1 HD2 LYS 94 - HE3 LYS 45 lone 8 78 - 10 - HD3 LYS 94 - HE3 LYS 45 lone 8 78 - 10 - HD2 LYS 94 - HE2 LYS 45 lone 8 78 - 10 - HD3 LYS 94 - HE2 LYS 45 lone 8 78 - 10 - HD3 LYS 94 - HE3 LYS 63 poor 7 36 - 20 - HD2 LYS 94 - HE3 LYS 63 poor 7 36 - 20 - HD2 LYS 94 - HE3 LYS 61 lone 7 85 - 8 - HD3 LYS 94 - HE3 LYS 61 lone 7 85 - 8 - HD2 LYS 94 - HE2 LYS 63 poor 7 34 - 20 - HD3 LYS 94 - HE2 LYS 63 poor 7 34 - 20 - HB3 LYS 61 - HE3 LYS 45 lone 6 97 - 6 - HB3 LYS 61 - HE2 LYS 45 lone 6 97 - 6 - HB3 LYS 61 - HE2 LYS 35 lone 6 80 - 7 - HB3 LYS 61 - HE3 LYS 35 lone 6 80 - 7 - HB3 LYS 61 - HE3 LYS 63 poor 6 50 - 11 - HD2 LYS 61 - HE2 LYS 44 lone 5 59 - 9 - HD3 LYS 61 - HE2 LYS 44 lone 5 59 - 9 - HB3 LYS 61 - HE2 LYS 63 poor 5 47 - 11 - HD3 LYS 35 - HE3 LYS 61 lone 5 65 - 8 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 44 - HE3 LYS 45 lone 5 69 - 8 - HD2 LYS 44 - HE2 LYS 45 lone 5 69 - 8 - HD3 LYS 35 - HE2 LYS 44 poor 5 50 - 11 - 3.0/1833=1, 3.0/1823=1 HD2 LYS 61 - HE3 LYS 44 lone 5 57 - 9 - HD3 LYS 61 - HE3 LYS 44 lone 5 57 - 9 - HD3 LYS 44 - HE3 LYS 45 lone 5 67 - 8 - HD3 LYS 44 - HE2 LYS 45 lone 5 67 - 8 - HD3 LYS 35 - HE3 LYS 44 poor 5 48 - 11 - 3.0/1833=1, 3.0/1823=1 HD3 LYS 61 - HE3 LYS 45 lone 4 69 - 6 - HD2 LYS 61 - HE2 LYS 45 lone 4 69 - 6 - HD2 LYS 61 - HE3 LYS 45 lone 4 69 - 6 - HD3 LYS 61 - HE2 LYS 45 lone 4 69 - 6 - HD2 LYS 44 - HE2 LYS 35 lone 4 54 - 7 - HD2 LYS 44 - HE3 LYS 35 lone 4 54 - 7 - HD3 LYS 63 - HE3 LYS 61 lone 3 76 - 5 - HD3 LYS 44 - HE3 LYS 35 lone 3 52 - 7 - HD3 LYS 44 - HE2 LYS 35 lone 3 52 - 7 - HD3 LYS 61 - HE3 LYS 63 poor 3 31 - 11 - HD2 LYS 61 - HE3 LYS 63 poor 3 31 - 11 - HG12 ILE 40 - HE2 LYS 35 lone 3 63 - 5 - 5420/5.9=2, 2027/3.0=2 HG12 ILE 40 - HE3 LYS 35 lone 3 63 - 5 - 5420/5.9=2, 2027/3.0=2 HD2 LYS 94 - HE2 LYS 44 lone 3 67 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 3 67 - 5 - HD3 LYS 61 - HE2 LYS 63 poor 3 29 - 11 - HD2 LYS 61 - HE2 LYS 63 poor 3 29 - 11 - HD3 LYS 94 - HE3 LYS 44 lone 3 65 - 5 - HD2 LYS 94 - HE3 LYS 44 lone 3 65 - 5 - HD3 LYS 63 - HE2 LYS 94 poor 3 30 - 10 - HD3 LYS 63 - HE3 LYS 45 lone 3 69 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 69 - 4 - HD2 LYS 61 - HE2 LYS 35 lone 3 54 - 5 - HD3 LYS 61 - HE2 LYS 35 lone 3 54 - 5 - HD3 LYS 61 - HE3 LYS 35 lone 3 54 - 5 - HD2 LYS 61 - HE3 LYS 35 lone 3 54 - 5 - HB3 LYS 61 - HE2 LYS 94 lone 2 47 - 5 - HD3 LYS 61 - HE2 LYS 94 lone 2 30 - 6 - HD2 LYS 61 - HE2 LYS 94 lone 2 30 - 6 - HD2 LYS 94 - HE3 LYS 35 lone 1 62 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 1 62 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 1 62 - 2 - HD3 LYS 94 - HE3 LYS 35 lone 1 62 - 2 - HB ILE 40 - HE2 LYS 35 lone 1 52 - 2 - HB ILE 40 - HE3 LYS 35 lone 1 52 - 2 - HG12 ILE 27 - HE2 LYS 44 lone 1 86 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 1 84 - 1 - QB ALA 79 - HE2 LYS 44 lone 1 81 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 79 - 1 - QB ALA 79 - HE3 LYS 61 lone 1 97 - 1 - HD2 LYS 44 - HE2 LYS 94 lone 1 30 - 3 - HD3 LYS 63 - HE2 LYS 44 lone 1 59 - 1 - HD3 LYS 44 - HE2 LYS 94 lone 1 29 - 3 - HG12 ILE 40 - HE2 LYS 44 lone 1 69 - 1 - HD3 LYS 63 - HE3 LYS 44 lone 1 57 - 1 - HG12 ILE 40 - HE3 LYS 44 lone 1 67 - 1 - QB ALA 79 - HE2 LYS 45 lone 1 92 - 1 - QB ALA 79 - HE3 LYS 45 lone 1 92 - 1 - HB2 MET 50 - HE3 LYS 61 lone 1 99 - 1 - HG12 ILE 40 - HE3 LYS 61 lone 1 87 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 31 - 2 - HD3 LYS 44 - HE3 LYS 63 lone 1 30 - 2 - HB ILE 40 - HE2 LYS 44 lone 1 57 - 1 - HB2 MET 50 - HE2 LYS 44 lone 1 83 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 29 - 2 - HB ILE 40 - HE3 LYS 44 lone 1 55 - 1 - HB2 MET 50 - HE3 LYS 44 lone 0 81 - 1 - QB ALA 79 - HE3 LYS 63 lone 1 46 - 1 - HD3 LYS 44 - HE2 LYS 63 lone 1 28 - 2 - HG12 ILE 27 - HE3 LYS 61 lone 0 100 - 0 - QB ALA 79 - HE2 LYS 63 lone 0 43 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 0 54 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 0 54 - 1 - HG12 ILE 40 - HE2 LYS 45 lone 0 80 - 0 - HG12 ILE 40 - HE3 LYS 45 lone 0 80 - 0 - HD3 LYS 35 - HE2 LYS 45 lone 0 60 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 0 60 - 1 - HB2 MET 50 - HE3 LYS 35 lone 0 77 - 0 - HB2 MET 50 - HE2 LYS 35 lone 0 77 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 97 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 97 - 0 - HG3 ARG 57 - HE3 LYS 61 lone 0 78 - 0 - QB ALA 79 - HE3 LYS 35 lone 0 75 - 0 - QB ALA 79 - HE2 LYS 35 lone 0 75 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 73 - 0 - HG3 GLN 19 - HE3 LYS 45 lone 0 91 - 0 - HG3 GLN 19 - HE2 LYS 45 lone 0 91 - 0 - HG3 ARG 57 - HE3 LYS 63 lone 0 33 - 1 - HG2 ARG 57 - HE3 LYS 61 lone 0 73 - 0 - HG12 ILE 40 - HE2 LYS 94 lone 0 36 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 0 31 - 1 - HB2 MET 50 - HE3 LYS 45 lone 0 94 - 0 - HB2 MET 50 - HE2 LYS 45 lone 0 94 - 0 - HG2 ARG 57 - HE3 LYS 63 lone 0 30 - 1 - HG3 GLN 19 - HE3 LYS 61 lone 0 97 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 80 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 80 - 0 - QB ALA 79 - HE2 LYS 94 lone 0 44 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 0 28 - 1 - HG12 ILE 27 - HE2 LYS 94 lone 0 47 - 1 - HB ILE 40 - HE3 LYS 45 lone 0 67 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 67 - 0 - HG3 GLN 19 - HE2 LYS 44 lone 0 80 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 72 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 72 - 0 - HG3 ARG 57 - HE2 LYS 44 lone 0 61 - 0 - HG3 GLN 19 - HE3 LYS 44 lone 0 78 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 59 - 0 - HB VAL 18 - HE3 LYS 61 lone 0 81 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 67 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 67 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 57 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 55 - 0 - HG12 ILE 40 - HE3 LYS 63 lone 0 38 - 1 - HG3 GLN 19 - HE2 LYS 94 lone 0 43 - 0 - HG12 ILE 27 - HE3 LYS 63 lone 0 50 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 56 - 0 - HG3 ARG 57 - HE3 LYS 35 lone 0 56 - 0 - HG3 GLN 19 - HE2 LYS 35 lone 0 74 - 0 - HG3 GLN 19 - HE3 LYS 35 lone 0 74 - 0 - HG3 GLN 19 - HE3 LYS 63 lone 0 45 - 0 - HB VAL 18 - HE3 LYS 45 lone 0 74 - 0 - HB VAL 18 - HE2 LYS 45 lone 0 74 - 0 - HG12 ILE 40 - HE2 LYS 63 lone 0 35 - 1 - HG12 ILE 27 - HE2 LYS 63 lone 0 47 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 29 - 1 - HG3 GLN 19 - HE2 LYS 63 lone 0 42 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 52 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 52 - 0 - HB ILE 40 - HE3 LYS 63 lone 0 30 - 1 - HG3 ARG 57 - HE2 LYS 94 lone 0 31 - 1 - HD3 LYS 35 - HE2 LYS 94 lone 0 25 - 1 - HB VAL 18 - HE2 LYS 44 lone 0 63 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 28 - 1 - HB2 MET 50 - HE3 LYS 63 lone 0 47 - 0 - HB VAL 18 - HE3 LYS 44 lone 0 61 - 0 - HB2 MET 50 - HE2 LYS 94 lone 0 45 - 0 - HB VAL 18 - HE2 LYS 35 lone 0 58 - 0 - HB VAL 18 - HE3 LYS 35 lone 0 58 - 0 - HG2 ARG 57 - HE2 LYS 94 lone 0 29 - 1 - HB2 MET 50 - HE2 LYS 63 lone 0 44 - 0 - HD3 LYS 35 - HE3 LYS 63 lone 0 26 - 1 - HD3 LYS 35 - HE2 LYS 63 lone 0 25 - 1 - HB VAL 18 - HE3 LYS 63 lone 0 34 - 0 - HB VAL 18 - HE2 LYS 63 lone 0 32 - 0 - HB VAL 18 - HE2 LYS 94 lone 0 32 - 0 - Peak 2838 from cnoeabs.peaks (1.42, 3.00, 41.92 ppm; 3.03 A): 4 out of 100 assignments used, quality = 0.99: HG3 LYS 61 + HE3 LYS 61 OK 76 100 - 76 - 3.9=47, 2802/1.8=4...(23) * HG2 LYS 61 + HE3 LYS 61 OK 76 100 - 76 - 3.9=47, 2802/1.8=4...(22) HG3 LYS 45 + HE3 LYS 45 OK 67 80 - 83 - 3.5=65, 2295/1.8=4...(29) HG3 LYS 45 + HE2 LYS 45 OK 67 80 - 83 - 3.5=65, 2295/1.8=4...(29) HG3 LYS 63 - HE3 LYS 63 OK 39 43 - 89 - 3.5=66, 2940/3.0=8...(33) HG2 LYS 63 - HE3 LYS 63 OK 39 43 - 89 - 3.5=66, 2940/3.0=8...(33) HG3 LYS 63 - HE2 LYS 63 OK 36 41 - 89 - 3.5=66, 2940/3.0=8...(33) HG2 LYS 63 - HE2 LYS 63 OK 36 41 - 89 - 3.5=66, 2940/3.0=8...(33) HG3 LYS 94 - HE2 LYS 94 OK 26 32 - 79 - 3.7=56, 3890/3.0=6...(29) HG3 LYS 61 - HE2 LYS 44 OK 17 86 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG2 LYS 61 - HE2 LYS 44 OK 17 86 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG2 LYS 61 - HE3 LYS 44 OK 17 84 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG3 LYS 61 - HE3 LYS 44 OK 17 84 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG3 LYS 63 - HE3 LYS 45 OK 13 89 - 14 - HG3 LYS 63 - HE2 LYS 45 OK 13 89 - 14 - HG2 LYS 63 - HE2 LYS 45 OK 13 89 - 14 - HG2 LYS 63 - HE3 LYS 45 OK 13 89 - 14 - HG3 LYS 63 - HE3 LYS 61 OK 13 95 - 14 - HG2 LYS 63 - HE3 LYS 61 OK 13 95 - 14 - HG3 LYS 94 - HE3 LYS 45 OK 12 74 - 16 - HG3 LYS 94 - HE2 LYS 45 OK 12 74 - 16 - HG2 LYS 61 - HE2 LYS 45 OK 11 97 - 12 - HG2 LYS 61 - HE3 LYS 45 OK 11 97 - 12 - HG3 LYS 61 - HE2 LYS 45 OK 11 97 - 12 - HG3 LYS 61 - HE3 LYS 45 OK 11 97 - 12 - HG2 LYS 63 - HE2 LYS 94 OK 11 41 - 27 - 2.9/2905=2, ~2904=1...(7) HG3 LYS 63 - HE2 LYS 94 OK 11 41 - 27 - 2.9/2905=2, ~2904=1...(7) HG3 LYS 94 - HE3 LYS 61 OK 11 81 - 13 - ~2121=1, 3891/2.9=1, 3890/2.9=1 HG2 LYS 61 - HE3 LYS 63 poor 10 50 - 20 - 2941/3.0=1 HG3 LYS 61 - HE3 LYS 63 poor 10 50 - 20 - 2940/3.0=1 HG2 LYS 61 - HE3 LYS 35 poor 10 80 - 12 - HG2 LYS 61 - HE2 LYS 35 poor 10 80 - 12 - HG3 LYS 61 - HE2 LYS 35 poor 9 80 - 12 - HG3 LYS 61 - HE3 LYS 35 poor 9 80 - 12 - HG2 LYS 61 - HE2 LYS 63 poor 9 47 - 20 - 2940/3.0=1 HG3 LYS 61 - HE2 LYS 63 poor 9 47 - 20 - 2941/3.0=1 HG3 LYS 94 - HE3 LYS 63 poor 9 34 - 27 - 2941/3.0=2, 2.9/3862=1...(11) HG3 LYS 94 - HE2 LYS 63 poor 8 32 - 27 - 2940/3.0=2, 2.9/3862=1...(11) HG3 LYS 45 - HE3 LYS 61 lone 7 87 - 8 - HG3 LYS 45 - HE2 LYS 44 lone 6 69 - 9 - HG3 LYS 45 - HE3 LYS 44 lone 6 67 - 9 - HG2 LYS 41 - HE3 LYS 61 lone 5 76 - 6 - ~2064=1 HG3 LYS 94 - HE2 LYS 44 lone 5 63 - 8 - HG3 LYS 94 - HE3 LYS 44 lone 5 61 - 8 - QB ALA 78 - HE2 LYS 44 lone 4 61 - 7 - 6442/3.0=1, 6441/3.0=1 HG3 LYS 61 - HE2 LYS 94 lone 4 47 - 9 - HG2 LYS 61 - HE2 LYS 94 lone 4 47 - 9 - QB ALA 78 - HE3 LYS 44 lone 4 59 - 7 - 6442/3.0=1, 6441/3.0=1 HG2 LYS 63 - HE2 LYS 44 lone 3 77 - 4 - HG3 LYS 63 - HE2 LYS 44 lone 3 77 - 4 - HG2 LYS 63 - HE3 LYS 44 lone 3 75 - 4 - HG3 LYS 63 - HE3 LYS 44 lone 3 75 - 4 - QB ALA 78 - HE2 LYS 45 lone 3 72 - 4 - QB ALA 78 - HE3 LYS 45 lone 3 72 - 4 - QB ALA 78 - HE3 LYS 61 lone 3 78 - 3 - HD3 LYS 86 - HE3 LYS 61 lone 3 100 - 3 - HG3 LYS 45 - HE2 LYS 94 lone 3 36 - 7 - HD3 LYS 86 - HE2 LYS 94 lone 2 47 - 4 - 3616/3.7=1 HG2 LYS 41 - HE3 LYS 45 lone 2 69 - 3 - HG2 LYS 41 - HE2 LYS 45 lone 2 69 - 3 - HD3 LYS 86 - HE2 LYS 44 lone 2 86 - 2 - HG3 LYS 45 - HE3 LYS 63 lone 2 38 - 5 - HD3 LYS 86 - HE3 LYS 44 lone 2 84 - 2 - HG3 LYS 45 - HE2 LYS 63 lone 2 35 - 5 - HG3 LYS 94 - HE2 LYS 35 lone 2 58 - 3 - HG3 LYS 94 - HE3 LYS 35 lone 2 58 - 3 - HD3 LYS 86 - HE2 LYS 45 lone 2 97 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 2 97 - 2 - HG3 LYS 63 - HE3 LYS 35 lone 2 71 - 2 - HG2 LYS 63 - HE2 LYS 35 lone 2 71 - 2 - HG2 LYS 63 - HE3 LYS 35 lone 2 71 - 2 - HG3 LYS 63 - HE2 LYS 35 lone 2 71 - 2 - HD3 LYS 86 - HE3 LYS 63 lone 1 50 - 3 - HG13 ILE 51 - HE2 LYS 44 lone 1 77 - 2 - HD3 LYS 86 - HE2 LYS 63 lone 1 47 - 3 - HG13 ILE 51 - HE3 LYS 44 lone 1 75 - 2 - HG13 ILE 51 - HE3 LYS 61 lone 1 95 - 1 - HD3 LYS 86 - HE2 LYS 35 lone 1 80 - 1 - HD3 LYS 86 - HE3 LYS 35 lone 1 80 - 1 - HG13 ILE 51 - HE2 LYS 94 lone 1 41 - 3 - HG2 LYS 41 - HE2 LYS 44 lone 1 59 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 1 57 - 2 - HG13 ILE 51 - HE3 LYS 63 lone 1 43 - 2 - HG13 ILE 51 - HE2 LYS 35 lone 1 71 - 1 - HG13 ILE 51 - HE3 LYS 35 lone 1 71 - 1 - HG13 ILE 51 - HE2 LYS 63 lone 1 41 - 2 - HG13 ILE 51 - HE2 LYS 45 lone 1 89 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 89 - 1 - HG3 LYS 45 - HE3 LYS 35 lone 1 63 - 1 - HG3 LYS 45 - HE2 LYS 35 lone 1 63 - 1 - QB ALA 78 - HE3 LYS 63 lone 1 33 - 2 - HG2 LYS 41 - HE2 LYS 94 lone 1 30 - 2 - QB ALA 78 - HE2 LYS 63 lone 1 31 - 2 - HG2 LYS 41 - HE2 LYS 35 lone 0 54 - 1 - HG2 LYS 41 - HE3 LYS 35 lone 0 54 - 1 - QB ALA 78 - HE3 LYS 35 lone 0 56 - 1 - QB ALA 78 - HE2 LYS 35 lone 0 56 - 1 - QB ALA 78 - HE2 LYS 94 lone 0 31 - 1 - HG2 LYS 41 - HE3 LYS 63 lone 0 31 - 1 - HG2 LYS 41 - HE2 LYS 63 lone 0 29 - 1 - Peak 2839 from cnoeabs.peaks (1.42, 3.00, 41.92 ppm; 3.03 A): 4 out of 100 assignments used, quality = 0.99: * HG3 LYS 61 + HE3 LYS 61 OK 76 100 - 76 - 3.9=47, 2802/1.8=4...(23) HG2 LYS 61 + HE3 LYS 61 OK 76 100 - 76 - 3.9=47, 2802/1.8=4...(22) HG3 LYS 45 + HE2 LYS 45 OK 65 78 - 83 - 3.5=65, 2296/1.8=4...(29) HG3 LYS 45 + HE3 LYS 45 OK 65 78 - 83 - 3.5=65, 2296/1.8=4...(29) HG3 LYS 63 - HE3 LYS 63 OK 39 44 - 89 - 3.5=66, 2940/3.0=9...(33) HG2 LYS 63 - HE3 LYS 63 OK 39 44 - 89 - 3.5=66, 2940/3.0=9...(33) HG2 LYS 63 - HE2 LYS 63 OK 37 41 - 89 - 3.5=66, 2940/3.0=9...(33) HG3 LYS 63 - HE2 LYS 63 OK 37 41 - 89 - 3.5=66, 2940/3.0=9...(33) HG3 LYS 94 - HE2 LYS 94 OK 27 34 - 80 - 3.7=56, 3891/3.0=6...(29) HG3 LYS 61 - HE2 LYS 44 OK 17 86 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG2 LYS 61 - HE2 LYS 44 OK 17 86 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG3 LYS 61 - HE3 LYS 44 OK 17 84 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG2 LYS 61 - HE3 LYS 44 OK 17 84 - 20 - 3.0/2773=1, 3.0/2783=1...(5) HG3 LYS 63 - HE2 LYS 45 OK 13 90 - 14 - HG3 LYS 63 - HE3 LYS 45 OK 13 90 - 14 - HG2 LYS 63 - HE2 LYS 45 OK 13 90 - 14 - HG2 LYS 63 - HE3 LYS 45 OK 13 90 - 14 - HG2 LYS 63 - HE3 LYS 61 OK 13 96 - 14 - HG3 LYS 63 - HE3 LYS 61 OK 13 96 - 14 - HG3 LYS 94 - HE2 LYS 45 OK 12 76 - 16 - HG3 LYS 94 - HE3 LYS 45 OK 12 76 - 16 - HG2 LYS 61 - HE3 LYS 45 OK 11 97 - 12 - HG2 LYS 61 - HE2 LYS 45 OK 11 97 - 12 - HG3 LYS 61 - HE3 LYS 45 OK 11 97 - 11 - HG3 LYS 61 - HE2 LYS 45 OK 11 97 - 11 - HG2 LYS 63 - HE2 LYS 94 OK 11 42 - 27 - 2.9/2905=2, ~2904=1...(7) HG3 LYS 63 - HE2 LYS 94 OK 11 42 - 27 - 2.9/2905=2, ~2904=1...(7) HG3 LYS 94 - HE3 LYS 61 OK 11 83 - 13 - ~2121=1, 3890/2.9=1, 3891/2.9=1 HG3 LYS 61 - HE3 LYS 63 poor 10 50 - 20 - 2941/3.0=2 HG2 LYS 61 - HE3 LYS 63 poor 10 50 - 20 - 2940/3.0=1 HG3 LYS 61 - HE3 LYS 35 poor 9 80 - 12 - HG3 LYS 61 - HE2 LYS 35 poor 9 80 - 12 - HG2 LYS 61 - HE3 LYS 35 poor 9 80 - 12 - HG2 LYS 61 - HE2 LYS 35 poor 9 80 - 12 - HG3 LYS 61 - HE2 LYS 63 poor 9 47 - 20 - 2941/3.0=2 HG2 LYS 61 - HE2 LYS 63 poor 9 47 - 20 - 2940/3.0=1 HG3 LYS 94 - HE3 LYS 63 poor 9 35 - 27 - 2941/3.0=2, 2.9/3862=1...(11) HG3 LYS 94 - HE2 LYS 63 poor 9 33 - 27 - 2941/3.0=2, 2.9/3862=1...(11) HG3 LYS 45 - HE3 LYS 61 lone 7 85 - 8 - HG3 LYS 45 - HE2 LYS 44 lone 6 67 - 9 - HG3 LYS 45 - HE3 LYS 44 lone 6 65 - 9 - HG3 LYS 94 - HE2 LYS 44 lone 5 65 - 8 - HG3 LYS 94 - HE3 LYS 44 lone 5 63 - 8 - HG2 LYS 41 - HE3 LYS 61 lone 5 73 - 6 - ~2064=1 HG3 LYS 61 - HE2 LYS 94 lone 4 47 - 9 - HG2 LYS 61 - HE2 LYS 94 lone 4 47 - 9 - QB ALA 78 - HE2 LYS 44 lone 4 59 - 7 - 6441/3.0=1, 6442/3.0=1 QB ALA 78 - HE3 LYS 44 lone 4 57 - 7 - 6442/3.0=1, 6441/3.0=1 HG2 LYS 63 - HE2 LYS 44 lone 3 79 - 4 - HG3 LYS 63 - HE2 LYS 44 lone 3 79 - 4 - HG3 LYS 63 - HE3 LYS 44 lone 3 76 - 4 - HG2 LYS 63 - HE3 LYS 44 lone 3 76 - 4 - HD3 LYS 86 - HE3 LYS 61 lone 3 100 - 3 - QB ALA 78 - HE3 LYS 45 lone 2 69 - 4 - QB ALA 78 - HE2 LYS 45 lone 2 69 - 4 - QB ALA 78 - HE3 LYS 61 lone 2 76 - 3 - HG3 LYS 45 - HE2 LYS 94 lone 3 35 - 7 - HD3 LYS 86 - HE2 LYS 94 lone 2 47 - 4 - 3616/3.7=1 HD3 LYS 86 - HE2 LYS 44 lone 2 86 - 2 - HD3 LYS 86 - HE3 LYS 44 lone 2 84 - 2 - HG2 LYS 41 - HE3 LYS 45 lone 2 67 - 3 - HG2 LYS 41 - HE2 LYS 45 lone 2 67 - 3 - HG3 LYS 45 - HE3 LYS 63 lone 2 36 - 5 - HG3 LYS 94 - HE2 LYS 35 lone 2 60 - 3 - HG3 LYS 94 - HE3 LYS 35 lone 2 60 - 3 - HG3 LYS 45 - HE2 LYS 63 lone 2 34 - 5 - HD3 LYS 86 - HE2 LYS 45 lone 2 97 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 2 97 - 2 - HG3 LYS 63 - HE3 LYS 35 lone 2 73 - 2 - HG2 LYS 63 - HE2 LYS 35 lone 2 73 - 2 - HG3 LYS 63 - HE2 LYS 35 lone 2 73 - 2 - HG2 LYS 63 - HE3 LYS 35 lone 2 73 - 2 - HD3 LYS 86 - HE3 LYS 63 lone 1 50 - 3 - HG13 ILE 51 - HE2 LYS 44 lone 1 79 - 2 - HG13 ILE 51 - HE3 LYS 44 lone 1 76 - 2 - HD3 LYS 86 - HE2 LYS 63 lone 1 47 - 3 - HG13 ILE 51 - HE3 LYS 61 lone 1 96 - 1 - HD3 LYS 86 - HE3 LYS 35 lone 1 80 - 1 - HD3 LYS 86 - HE2 LYS 35 lone 1 80 - 1 - HG13 ILE 51 - HE2 LYS 94 lone 1 42 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 1 44 - 2 - HG2 LYS 41 - HE2 LYS 44 lone 1 57 - 2 - HG13 ILE 51 - HE2 LYS 35 lone 1 73 - 1 - HG13 ILE 51 - HE3 LYS 35 lone 1 73 - 1 - HG13 ILE 51 - HE2 LYS 63 lone 1 41 - 2 - HG2 LYS 41 - HE3 LYS 44 lone 1 55 - 2 - HG13 ILE 51 - HE2 LYS 45 lone 1 90 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 90 - 1 - HG3 LYS 45 - HE2 LYS 35 lone 1 62 - 1 - HG3 LYS 45 - HE3 LYS 35 lone 1 62 - 1 - QB ALA 78 - HE3 LYS 63 lone 1 31 - 2 - HG2 LYS 41 - HE2 LYS 94 lone 1 29 - 2 - QB ALA 78 - HE2 LYS 63 lone 1 29 - 2 - HG2 LYS 41 - HE3 LYS 35 lone 0 52 - 1 - HG2 LYS 41 - HE2 LYS 35 lone 0 52 - 1 - QB ALA 78 - HE3 LYS 35 lone 0 54 - 1 - QB ALA 78 - HE2 LYS 35 lone 0 54 - 1 - QB ALA 78 - HE2 LYS 94 lone 0 30 - 1 - HG2 LYS 41 - HE3 LYS 63 lone 0 30 - 1 - HG2 LYS 41 - HE2 LYS 63 lone 0 28 - 1 - Peak 2840 from cnoeabs.peaks (1.68, 3.00, 41.92 ppm; 2.40 A): 12 out of 180 assignments used, quality = 1.00: HD3 LYS 61 + HE3 LYS 61 OK 66 100 - 66 - 2.9=55, 2812/1.8=3...(9) * HD2 LYS 61 + HE3 LYS 61 OK 66 100 - 66 - 2.9=55, 2812/1.8=3...(9) HD2 LYS 44 + HE2 LYS 44 OK 59 86 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 44 + HE2 LYS 44 OK 59 86 - 68 - 3.0=53, 2198/3.9=3...(17) HD2 LYS 44 + HE3 LYS 44 OK 58 84 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 44 + HE3 LYS 44 OK 58 84 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 45 + HE3 LYS 45 OK 50 76 - 66 - 3.0=52, 2284/3.5=3...(13) HD3 LYS 45 + HE2 LYS 45 OK 50 76 - 66 - 3.0=52, 2284/3.5=3...(13) HD3 LYS 35 + HE2 LYS 35 OK 50 79 - 63 - 3.0=52, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 50 79 - 63 - 3.0=52, 1846/4.9=5...(11) HD2 LYS 45 + HE3 LYS 45 OK 48 72 - 67 - 3.0=52, 2284/3.5=3...(13) HD2 LYS 45 + HE2 LYS 45 OK 48 72 - 67 - 3.0=52, 2284/3.5=3...(13) HD2 LYS 94 - HE2 LYS 94 OK 33 47 - 70 - 3.0=53, 3890/3.7=4...(16) HD3 LYS 94 - HE2 LYS 94 OK 33 47 - 70 - 3.0=53, 3890/3.7=4...(16) HD3 LYS 63 - HE3 LYS 63 OK 32 50 - 65 - 3.0=54, 2954/1.8=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 30 47 - 65 - 3.0=54, 2954/1.8=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 25 76 - 33 - 5.0=11, ~2772=2...(10) HD2 LYS 44 - HE3 LYS 61 lone 10 100 - 10 - HD3 LYS 44 - HE3 LYS 61 lone 10 100 - 10 - HD3 LYS 94 - HE3 LYS 63 poor 8 49 - 17 - HD2 LYS 94 - HE3 LYS 63 poor 8 49 - 17 - HD3 LYS 94 - HE3 LYS 45 lone 8 96 - 8 - HD3 LYS 94 - HE2 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE2 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE3 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE2 LYS 63 poor 8 46 - 17 - HD3 LYS 94 - HE2 LYS 63 poor 8 46 - 17 - HD3 LYS 35 - HE2 LYS 44 lone 7 86 - 9 - 3.0/1833=1, 3.0/1822=1 HD3 LYS 35 - HE3 LYS 44 lone 7 83 - 9 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 61 - HE2 LYS 44 lone 7 86 - 8 - HD2 LYS 61 - HE2 LYS 44 lone 7 86 - 8 - HD2 LYS 61 - HE3 LYS 44 lone 7 84 - 8 - HD3 LYS 61 - HE3 LYS 44 lone 7 84 - 8 - HD3 LYS 35 - HE3 LYS 61 lone 7 100 - 7 - HD2 LYS 94 - HE3 LYS 61 lone 6 100 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 6 100 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 6 97 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 6 97 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 6 97 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 6 97 - 7 - HB3 LYS 61 - HE2 LYS 44 lone 6 59 - 10 - HB3 LYS 61 - HE3 LYS 44 lone 5 57 - 10 - HD2 LYS 61 - HE2 LYS 45 lone 5 97 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 5 97 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 5 97 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 5 97 - 5 - HD2 LYS 44 - HE2 LYS 35 lone 5 80 - 6 - HD2 LYS 44 - HE3 LYS 35 lone 5 80 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 5 80 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 5 80 - 6 - HD2 LYS 61 - HE3 LYS 63 lone 5 50 - 9 - HD3 LYS 61 - HE3 LYS 63 lone 5 50 - 9 - HD2 LYS 61 - HE2 LYS 63 lone 4 47 - 9 - HD3 LYS 61 - HE2 LYS 63 lone 4 47 - 9 - HD3 LYS 63 - HE2 LYS 94 lone 4 47 - 9 - HD3 LYS 63 - HE3 LYS 61 lone 4 100 - 4 - HD2 LYS 61 - HE2 LYS 35 lone 4 80 - 5 - HD3 LYS 61 - HE2 LYS 35 lone 4 80 - 5 - HD3 LYS 61 - HE3 LYS 35 lone 4 80 - 5 - HD2 LYS 61 - HE3 LYS 35 lone 4 80 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 86 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 4 86 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 4 83 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 4 83 - 4 - HD3 LYS 63 - HE3 LYS 45 lone 3 97 - 3 - HD3 LYS 63 - HE2 LYS 45 lone 3 97 - 3 - HB3 LYS 61 - HE2 LYS 45 lone 3 69 - 5 - HB3 LYS 61 - HE3 LYS 45 lone 3 69 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 3 54 - 6 - HB3 LYS 61 - HE2 LYS 35 lone 3 54 - 6 - HD3 LYS 45 - HE3 LYS 61 lone 3 83 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 65 - 4 - HD2 LYS 45 - HE3 LYS 61 lone 3 78 - 4 - HB3 LYS 61 - HE3 LYS 63 lone 3 31 - 9 - HD3 LYS 45 - HE3 LYS 44 lone 3 63 - 4 - HD2 LYS 45 - HE2 LYS 44 lone 3 61 - 4 - HD2 LYS 61 - HE2 LYS 94 lone 3 47 - 6 - HD3 LYS 61 - HE2 LYS 94 lone 3 47 - 6 - HB ILE 40 - HE2 LYS 35 lone 3 80 - 3 - 1801/4.9=1 HB ILE 40 - HE3 LYS 35 lone 3 80 - 3 - 1801/4.9=1 HB3 LYS 61 - HE2 LYS 63 lone 3 29 - 9 - HD2 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD3 LYS 94 - HE3 LYS 35 lone 1 79 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 1 79 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 1 79 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 1 79 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 47 - 3 - HD3 LYS 44 - HE2 LYS 94 lone 1 47 - 3 - HD3 LYS 45 - HE2 LYS 94 lone 1 34 - 4 - HB3 LYS 61 - HE2 LYS 94 lone 1 30 - 4 - HD3 LYS 63 - HE2 LYS 44 lone 1 86 - 1 - HD2 LYS 45 - HE2 LYS 94 lone 1 31 - 4 - HD3 LYS 63 - HE3 LYS 44 lone 1 84 - 1 - HD3 LYS 45 - HE3 LYS 63 lone 1 35 - 3 - HD2 LYS 45 - HE3 LYS 63 lone 1 33 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 1 33 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 1 31 - 3 - HB ILE 40 - HE2 LYS 44 lone 1 86 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 84 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 61 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 50 - 2 - HD3 LYS 44 - HE3 LYS 63 lone 1 50 - 2 - QB ALA 79 - HE2 LYS 44 lone 1 77 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 75 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 47 - 2 - HD3 LYS 44 - HE2 LYS 63 lone 1 47 - 2 - HD2 LYS 77 - HE3 LYS 61 lone 1 81 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 74 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 1 74 - 1 - QB ALA 79 - HE3 LYS 61 lone 1 95 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 74 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 74 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 80 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 80 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 1 96 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 1 96 - 1 - QB ALA 79 - HE3 LYS 45 lone 1 89 - 1 - QB ALA 79 - HE2 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 1 50 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 1 50 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 0 80 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 59 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 1 47 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 1 47 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 0 78 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 0 57 - 1 - HB ILE 40 - HE3 LYS 61 lone 0 100 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 97 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 97 - 0 - QB ALA 79 - HE3 LYS 63 lone 0 43 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 100 - 0 - HD2 LYS 77 - HE3 LYS 63 lone 0 34 - 1 - HG2 ARG 57 - HE3 LYS 61 lone 0 100 - 0 - QB ALA 79 - HE2 LYS 63 lone 0 41 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 0 32 - 1 - HG3 ARG 57 - HE2 LYS 44 lone 0 86 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 86 - 0 - QB ALA 79 - HE2 LYS 35 lone 0 71 - 0 - QB ALA 79 - HE3 LYS 35 lone 0 71 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 84 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 84 - 0 - HD2 LYS 77 - HE2 LYS 35 lone 0 58 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 58 - 1 - HG2 ARG 57 - HE2 LYS 45 lone 0 97 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 97 - 0 - HD3 LYS 45 - HE2 LYS 35 lone 0 60 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 60 - 1 - HG3 ARG 57 - HE2 LYS 45 lone 0 97 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 97 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 47 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 91 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 91 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 47 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 56 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 56 - 1 - HD3 LYS 35 - HE3 LYS 63 lone 0 49 - 1 - HB ILE 40 - HE3 LYS 63 lone 0 50 - 1 - HG3 ARG 57 - HE3 LYS 35 lone 0 80 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 80 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 80 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 80 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 46 - 1 - HG12 ILE 27 - HE3 LYS 61 lone 0 76 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 47 - 1 - HG3 ARG 57 - HE2 LYS 94 lone 0 47 - 1 - QB ALA 79 - HE2 LYS 94 lone 0 41 - 1 - HG2 ARG 57 - HE2 LYS 94 lone 0 47 - 0 - HG12 ILE 39 - HE2 LYS 94 lone 0 43 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 69 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 69 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 54 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 54 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 45 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 42 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 32 - 0 - HG12 ILE 27 - HE2 LYS 94 lone 0 30 - 0 - HG12 ILE 27 - HE3 LYS 63 lone 0 31 - 0 - HG12 ILE 27 - HE2 LYS 63 lone 0 29 - 0 - Peak 2841 from cnoeabs.peaks (1.68, 3.00, 41.92 ppm; 2.40 A): 12 out of 180 assignments used, quality = 1.00: * HD3 LYS 61 + HE3 LYS 61 OK 66 100 - 66 - 2.9=55, 2812/1.8=3...(9) HD2 LYS 61 + HE3 LYS 61 OK 66 100 - 66 - 2.9=55, 2812/1.8=3...(9) HD2 LYS 44 + HE2 LYS 44 OK 59 86 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 44 + HE2 LYS 44 OK 59 86 - 68 - 3.0=53, 2198/3.9=3...(17) HD2 LYS 44 + HE3 LYS 44 OK 58 84 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 44 + HE3 LYS 44 OK 58 84 - 68 - 3.0=53, 2198/3.9=3...(17) HD3 LYS 45 + HE3 LYS 45 OK 50 76 - 66 - 3.0=52, 2284/3.5=3...(13) HD3 LYS 45 + HE2 LYS 45 OK 50 76 - 66 - 3.0=52, 2284/3.5=3...(13) HD3 LYS 35 + HE2 LYS 35 OK 50 79 - 63 - 3.0=52, 1846/4.9=5...(11) HD3 LYS 35 + HE3 LYS 35 OK 50 79 - 63 - 3.0=52, 1846/4.9=5...(11) HD2 LYS 45 + HE3 LYS 45 OK 48 72 - 67 - 3.0=52, 2284/3.5=3...(13) HD2 LYS 45 + HE2 LYS 45 OK 48 72 - 67 - 3.0=52, 2284/3.5=3...(13) HD2 LYS 94 - HE2 LYS 94 OK 33 47 - 70 - 3.0=53, 3890/3.7=4...(16) HD3 LYS 94 - HE2 LYS 94 OK 33 47 - 70 - 3.0=53, 3890/3.7=4...(16) HD3 LYS 63 - HE3 LYS 63 OK 32 50 - 65 - 3.0=54, 2954/1.8=2...(10) HD3 LYS 63 - HE2 LYS 63 OK 30 47 - 65 - 3.0=54, 2954/1.8=2...(10) HB3 LYS 61 - HE3 LYS 61 OK 25 76 - 33 - 5.0=11, ~2772=2...(10) HD2 LYS 44 - HE3 LYS 61 lone 10 100 - 10 - HD3 LYS 44 - HE3 LYS 61 lone 10 100 - 10 - HD3 LYS 94 - HE3 LYS 63 poor 8 49 - 17 - HD2 LYS 94 - HE3 LYS 63 poor 8 49 - 17 - HD3 LYS 94 - HE3 LYS 45 lone 8 96 - 8 - HD3 LYS 94 - HE2 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE2 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE3 LYS 45 lone 8 96 - 8 - HD2 LYS 94 - HE2 LYS 63 poor 8 46 - 17 - HD3 LYS 94 - HE2 LYS 63 poor 8 46 - 17 - HD3 LYS 35 - HE2 LYS 44 lone 7 86 - 9 - 3.0/1833=1, 3.0/1822=1 HD3 LYS 35 - HE3 LYS 44 lone 7 83 - 9 - 3.0/1832=1, 3.0/1823=1 HD3 LYS 61 - HE2 LYS 44 lone 7 86 - 8 - HD2 LYS 61 - HE2 LYS 44 lone 7 86 - 8 - HD2 LYS 61 - HE3 LYS 44 lone 7 84 - 8 - HD3 LYS 61 - HE3 LYS 44 lone 7 84 - 8 - HD3 LYS 35 - HE3 LYS 61 lone 7 100 - 7 - HD2 LYS 94 - HE3 LYS 61 lone 6 100 - 7 - HD3 LYS 94 - HE3 LYS 61 lone 6 100 - 7 - HD2 LYS 44 - HE3 LYS 45 lone 6 97 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 6 97 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 6 97 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 6 97 - 7 - HB3 LYS 61 - HE2 LYS 44 lone 6 59 - 10 - HB3 LYS 61 - HE3 LYS 44 lone 5 57 - 10 - HD2 LYS 61 - HE2 LYS 45 lone 5 97 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 5 97 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 5 97 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 5 97 - 5 - HD2 LYS 44 - HE2 LYS 35 lone 5 80 - 6 - HD2 LYS 44 - HE3 LYS 35 lone 5 80 - 6 - HD3 LYS 44 - HE2 LYS 35 lone 5 80 - 6 - HD3 LYS 44 - HE3 LYS 35 lone 5 80 - 6 - HD2 LYS 61 - HE3 LYS 63 lone 5 50 - 9 - HD3 LYS 61 - HE3 LYS 63 lone 5 50 - 9 - HD2 LYS 61 - HE2 LYS 63 lone 4 47 - 9 - HD3 LYS 61 - HE2 LYS 63 lone 4 47 - 9 - HD3 LYS 63 - HE2 LYS 94 lone 4 47 - 9 - HD3 LYS 63 - HE3 LYS 61 lone 4 100 - 4 - HD2 LYS 61 - HE2 LYS 35 lone 4 80 - 5 - HD3 LYS 61 - HE2 LYS 35 lone 4 80 - 5 - HD3 LYS 61 - HE3 LYS 35 lone 4 80 - 5 - HD2 LYS 61 - HE3 LYS 35 lone 4 80 - 5 - HD3 LYS 94 - HE2 LYS 44 lone 4 86 - 4 - HD2 LYS 94 - HE2 LYS 44 lone 4 86 - 4 - HD2 LYS 94 - HE3 LYS 44 lone 4 83 - 4 - HD3 LYS 94 - HE3 LYS 44 lone 4 83 - 4 - HD3 LYS 63 - HE3 LYS 45 lone 3 97 - 3 - HD3 LYS 63 - HE2 LYS 45 lone 3 97 - 3 - HB3 LYS 61 - HE2 LYS 45 lone 3 69 - 5 - HB3 LYS 61 - HE3 LYS 45 lone 3 69 - 5 - HB3 LYS 61 - HE3 LYS 35 lone 3 54 - 6 - HB3 LYS 61 - HE2 LYS 35 lone 3 54 - 6 - HD3 LYS 45 - HE3 LYS 61 lone 3 83 - 4 - HD3 LYS 45 - HE2 LYS 44 lone 3 65 - 4 - HD2 LYS 45 - HE3 LYS 61 lone 3 78 - 4 - HB3 LYS 61 - HE3 LYS 63 lone 3 31 - 9 - HD3 LYS 45 - HE3 LYS 44 lone 3 63 - 4 - HD2 LYS 45 - HE2 LYS 44 lone 3 61 - 4 - HD2 LYS 61 - HE2 LYS 94 lone 3 47 - 6 - HD3 LYS 61 - HE2 LYS 94 lone 3 47 - 6 - HB ILE 40 - HE2 LYS 35 lone 3 80 - 3 - 1801/4.9=1 HB ILE 40 - HE3 LYS 35 lone 3 80 - 3 - 1801/4.9=1 HB3 LYS 61 - HE2 LYS 63 lone 3 29 - 9 - HD2 LYS 45 - HE3 LYS 44 lone 3 59 - 4 - HD3 LYS 94 - HE3 LYS 35 lone 1 79 - 2 - HD3 LYS 94 - HE2 LYS 35 lone 1 79 - 2 - HD2 LYS 94 - HE2 LYS 35 lone 1 79 - 2 - HD2 LYS 94 - HE3 LYS 35 lone 1 79 - 2 - HD2 LYS 44 - HE2 LYS 94 lone 1 47 - 3 - HD3 LYS 44 - HE2 LYS 94 lone 1 47 - 3 - HD3 LYS 45 - HE2 LYS 94 lone 1 34 - 4 - HB3 LYS 61 - HE2 LYS 94 lone 1 30 - 4 - HD3 LYS 63 - HE2 LYS 44 lone 1 86 - 1 - HD2 LYS 45 - HE2 LYS 94 lone 1 31 - 4 - HD3 LYS 63 - HE3 LYS 44 lone 1 84 - 1 - HD3 LYS 45 - HE3 LYS 63 lone 1 35 - 3 - HD2 LYS 45 - HE3 LYS 63 lone 1 33 - 3 - HD3 LYS 45 - HE2 LYS 63 lone 1 33 - 3 - HD2 LYS 45 - HE2 LYS 63 lone 1 31 - 3 - HB ILE 40 - HE2 LYS 44 lone 1 86 - 1 - HB ILE 40 - HE3 LYS 44 lone 1 84 - 1 - HD2 LYS 77 - HE2 LYS 44 lone 1 63 - 1 - HD2 LYS 77 - HE3 LYS 44 lone 1 61 - 1 - HD2 LYS 44 - HE3 LYS 63 lone 1 50 - 2 - HD3 LYS 44 - HE3 LYS 63 lone 1 50 - 2 - QB ALA 79 - HE2 LYS 44 lone 1 77 - 1 - QB ALA 79 - HE3 LYS 44 lone 1 75 - 1 - HD2 LYS 44 - HE2 LYS 63 lone 1 47 - 2 - HD3 LYS 44 - HE2 LYS 63 lone 1 47 - 2 - HD2 LYS 77 - HE3 LYS 61 lone 1 81 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 1 74 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 1 74 - 1 - QB ALA 79 - HE3 LYS 61 lone 1 95 - 1 - HG12 ILE 39 - HE3 LYS 35 lone 1 74 - 1 - HG12 ILE 39 - HE2 LYS 35 lone 1 74 - 1 - HD3 LYS 63 - HE3 LYS 35 lone 1 80 - 1 - HD3 LYS 63 - HE2 LYS 35 lone 1 80 - 1 - HD3 LYS 35 - HE2 LYS 45 lone 1 96 - 1 - HD3 LYS 35 - HE3 LYS 45 lone 1 96 - 1 - QB ALA 79 - HE3 LYS 45 lone 1 89 - 1 - QB ALA 79 - HE2 LYS 45 lone 1 89 - 1 - HG12 ILE 39 - HE3 LYS 61 lone 1 97 - 1 - HG2 ARG 57 - HE3 LYS 63 lone 1 50 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 1 50 - 1 - HG12 ILE 39 - HE2 LYS 44 lone 0 80 - 1 - HG12 ILE 27 - HE2 LYS 44 lone 1 59 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 1 47 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 1 47 - 1 - HG12 ILE 39 - HE3 LYS 44 lone 0 78 - 1 - HG12 ILE 27 - HE3 LYS 44 lone 0 57 - 1 - HB ILE 40 - HE3 LYS 61 lone 0 100 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 97 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 97 - 0 - QB ALA 79 - HE3 LYS 63 lone 0 43 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 100 - 0 - HD2 LYS 77 - HE3 LYS 63 lone 0 34 - 1 - HG2 ARG 57 - HE3 LYS 61 lone 0 100 - 0 - QB ALA 79 - HE2 LYS 63 lone 0 41 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 0 32 - 1 - HG3 ARG 57 - HE2 LYS 44 lone 0 86 - 0 - HG2 ARG 57 - HE2 LYS 44 lone 0 86 - 0 - QB ALA 79 - HE2 LYS 35 lone 0 71 - 0 - QB ALA 79 - HE3 LYS 35 lone 0 71 - 0 - HG3 ARG 57 - HE3 LYS 44 lone 0 84 - 0 - HG2 ARG 57 - HE3 LYS 44 lone 0 84 - 0 - HD2 LYS 77 - HE2 LYS 35 lone 0 58 - 1 - HD2 LYS 77 - HE3 LYS 35 lone 0 58 - 1 - HG2 ARG 57 - HE2 LYS 45 lone 0 97 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 97 - 0 - HD3 LYS 45 - HE2 LYS 35 lone 0 60 - 1 - HD3 LYS 45 - HE3 LYS 35 lone 0 60 - 1 - HG3 ARG 57 - HE2 LYS 45 lone 0 97 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 97 - 0 - HD3 LYS 35 - HE2 LYS 94 lone 0 47 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 91 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 91 - 0 - HB ILE 40 - HE2 LYS 94 lone 0 47 - 1 - HD2 LYS 45 - HE2 LYS 35 lone 0 56 - 1 - HD2 LYS 45 - HE3 LYS 35 lone 0 56 - 1 - HD3 LYS 35 - HE3 LYS 63 lone 0 49 - 1 - HB ILE 40 - HE3 LYS 63 lone 0 50 - 1 - HG3 ARG 57 - HE3 LYS 35 lone 0 80 - 0 - HG3 ARG 57 - HE2 LYS 35 lone 0 80 - 0 - HG2 ARG 57 - HE3 LYS 35 lone 0 80 - 0 - HG2 ARG 57 - HE2 LYS 35 lone 0 80 - 0 - HD3 LYS 35 - HE2 LYS 63 lone 0 46 - 1 - HG12 ILE 27 - HE3 LYS 61 lone 0 76 - 0 - HB ILE 40 - HE2 LYS 63 lone 0 47 - 1 - HG3 ARG 57 - HE2 LYS 94 lone 0 47 - 1 - QB ALA 79 - HE2 LYS 94 lone 0 41 - 1 - HG2 ARG 57 - HE2 LYS 94 lone 0 47 - 0 - HG12 ILE 39 - HE2 LYS 94 lone 0 43 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 69 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 69 - 0 - HG12 ILE 27 - HE2 LYS 35 lone 0 54 - 0 - HG12 ILE 27 - HE3 LYS 35 lone 0 54 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 45 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 42 - 0 - HD2 LYS 77 - HE2 LYS 94 lone 0 32 - 0 - HG12 ILE 27 - HE2 LYS 94 lone 0 30 - 0 - HG12 ILE 27 - HE3 LYS 63 lone 0 31 - 0 - HG12 ILE 27 - HE2 LYS 63 lone 0 29 - 0 - Peak 2842 from cnoeabs.peaks (3.03, 3.00, 41.92 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 44 + HE2 LYS 44 OK 74 74 - 100 HE3 LYS 44 + HE3 LYS 44 OK 74 74 - 100 HE2 LYS 35 + HE2 LYS 35 OK 73 73 - 100 HE3 LYS 35 + HE3 LYS 35 OK 73 73 - 100 HE3 LYS 61 + HE3 LYS 61 OK 60 60 - 100 Reference assignment not found: HE2 LYS 61 - HE3 LYS 61 Peak 2843 from cnoeabs.peaks (3.00, 3.00, 41.92 ppm; diagonal): 7 out of 10 assignments used, quality = 1.00: * HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 45 + HE2 LYS 45 OK 93 93 - 100 HE3 LYS 45 + HE3 LYS 45 OK 93 93 - 100 HE2 LYS 44 + HE2 LYS 44 OK 76 76 - 100 HE3 LYS 44 + HE3 LYS 44 OK 72 72 - 100 HE2 LYS 35 + HE2 LYS 35 OK 65 65 - 100 HE3 LYS 35 + HE3 LYS 35 OK 65 65 - 100 HE3 LYS 63 - HE3 LYS 63 OK 30 30 - 100 HE2 LYS 94 - HE2 LYS 94 OK 30 30 - 100 HE2 LYS 63 - HE2 LYS 63 OK 27 27 - 100 Peak 2844 from cnoeabs.peaks (8.77, 4.36, 56.01 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2845 from cnoeabs.peaks (4.36, 4.36, 56.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 HA LYS 61 + HA LYS 61 OK 58 58 - 100 Peak 2846 from cnoeabs.peaks (1.89, 4.36, 56.01 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2847 from cnoeabs.peaks (1.53, 4.36, 56.01 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2848 from cnoeabs.peaks (1.81, 4.36, 56.01 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.7=100 HB2 LYS 61 - HA LYS 61 OK 34 34 - 100 - 3.0=100 Peak 2849 from cnoeabs.peaks (0.84, 4.36, 56.01 ppm; 3.06 A): 3 out of 16 assignments used, quality = 0.88: * QD2 LEU 62 + HA LEU 62 OK 83 100 - 83 - 4.0=46, 2872/3.0=17...(15) QD2 LEU 62 + HA LYS 61 OK 23 64 - 36 - 2872/3.6=15, 2873=10...(9) QG2 VAL 30 + HA LEU 62 OK 10 98 - 10 - 2873=2, 286/3.6=2, 878/3.0=2 QG1 VAL 30 - HA LEU 62 lone 10 100 - 10 - 878/3.0=2, 286/3.6=2, 2.1/2873=1 QG2 VAL 25 - HA LEU 62 poor 9 83 - 11 - 4904/4.0=3, ~4900=2...(4) QG2 ILE 37 - HA LYS 61 lone 5 58 - 9 - 7159/3.9=1, 7159/3.9=1 QG2 ILE 37 - HA LEU 62 lone 4 97 - 5 - 878/3.0=1, 286/3.6=1 QG2 ILE 16 - HA LEU 62 lone 4 99 - 4 - QG2 VAL 30 - HA LYS 61 lone 3 60 - 5 - 878/3.6=2 QG2 ILE 16 - HA LYS 61 lone 3 60 - 4 - QG1 VAL 30 - HA LYS 61 lone 3 63 - 4 - 878/3.6=1 QG2 ILE 40 - HA LEU 62 lone 2 78 - 3 - QG2 ILE 80 - HA LEU 62 lone 2 99 - 2 - QG2 VAL 25 - HA LYS 61 lone 1 46 - 3 - QG2 ILE 80 - HA LYS 61 lone 1 62 - 1 - QG2 ILE 40 - HA LYS 61 lone 1 43 - 2 - Peak 2850 from cnoeabs.peaks (1.00, 4.36, 56.01 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.95: * QD1 LEU 62 + HA LEU 62 OK 95 100 - 95 - 4.0=75, 879/3.0=24...(14) QD1 LEU 62 - HA LYS 61 OK 25 64 - 39 - 879/3.6=21, 2.1/2873=8...(10) HG12 ILE 51 - HA LEU 62 OK 17 87 - 19 - 287/3.6=5, 4.0/7097=3...(8) QG1 VAL 95 - HA LEU 62 lone 6 85 - 7 - 287/3.6=2, 879/3.0=1 HG12 ILE 51 - HA LYS 61 lone 5 49 - 9 - 879/3.6=2, 5945/2.9=1 QG1 VAL 95 - HA LYS 61 lone 2 47 - 5 - 879/3.6=1 Peak 2851 from cnoeabs.peaks (8.77, 1.89, 41.38 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 62 + HB2 LEU 62 OK 98 100 - 98 - 3.6=90, 2865/3.0=29...(12) Peak 2852 from cnoeabs.peaks (4.36, 1.89, 41.38 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2853 from cnoeabs.peaks (1.89, 1.89, 41.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 2854 from cnoeabs.peaks (1.53, 1.89, 41.38 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 1.8=100 Peak 2855 from cnoeabs.peaks (1.81, 1.89, 41.38 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2856 from cnoeabs.peaks (0.84, 1.89, 41.38 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2857 from cnoeabs.peaks (1.00, 1.89, 41.38 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2858 from cnoeabs.peaks (8.77, 1.53, 41.38 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.6=100 Peak 2859 from cnoeabs.peaks (4.36, 1.53, 41.38 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2860 from cnoeabs.peaks (1.89, 1.53, 41.38 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 1.8=100 Peak 2861 from cnoeabs.peaks (1.53, 1.53, 41.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HB3 LEU 62 OK 100 100 - 100 Peak 2862 from cnoeabs.peaks (1.81, 1.53, 41.38 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2863 from cnoeabs.peaks (0.84, 1.53, 41.38 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2864 from cnoeabs.peaks (1.00, 1.53, 41.38 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2865 from cnoeabs.peaks (8.77, 1.81, 27.33 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.85: * H LEU 62 + HG LEU 62 OK 85 100 - 85 - 5.0=30, 879/2.1=26...(12) Peak 2866 from cnoeabs.peaks (4.36, 1.81, 27.33 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.7=100 Peak 2867 from cnoeabs.peaks (1.89, 1.81, 27.33 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2868 from cnoeabs.peaks (1.53, 1.81, 27.33 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.0=100 Peak 2869 from cnoeabs.peaks (1.81, 1.81, 27.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 Peak 2870 from cnoeabs.peaks (0.84, 1.81, 27.33 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2871 from cnoeabs.peaks (1.00, 1.81, 27.33 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2872 from cnoeabs.peaks (8.77, 0.84, 23.71 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.94: * H LEU 62 + QD2 LEU 62 OK 94 100 - 94 - 4.5=58, 2865/2.1=39...(12) H LEU 62 - QG2 VAL 30 poor 9 53 - 17 - 878=5, 878/2.1=3...(7) Peak 2873 from cnoeabs.peaks (4.36, 0.84, 23.71 ppm; 2.93 A): 3 out of 16 assignments used, quality = 0.87: * HA LEU 62 + QD2 LEU 62 OK 79 100 - 79 - 4.0=40, 3.0/2872=16...(15) HA LYS 61 + QD2 LEU 62 OK 30 97 - 31 - 3.6/2872=13, 2849=6...(7) HA SER 29 + QG2 VAL 30 OK 10 37 - 28 - 3.6/700=7, 2.9/5024=5...(11) HA LEU 62 - QG2 VAL 30 poor 6 53 - 12 - 2849=3, 2849/2.1=2...(4) HA TRP 82 - QG2 VAL 30 poor 5 53 - 10 - 4500/3.9=1, 3.0/6583=1...(5) HA TRP 82 - QD2 LEU 62 lone 4 100 - 4 - HA SER 29 - QD2 LEU 62 lone 3 81 - 4 - HA LYS 61 - QG2 VAL 30 lone 2 48 - 5 - 3.6/878=1 HA THR 42 - QG2 VAL 30 lone 2 42 - 5 - 1145/4.2=2 HA ALA 98 - QD2 LEU 62 lone 2 99 - 2 - HA THR 42 - QD2 LEU 62 lone 1 89 - 2 - HA ALA 98 - QG2 VAL 30 lone 1 51 - 3 - 3.0/7017=1 HA SER 11 - QD2 LEU 62 lone 1 100 - 1 - HB THR 46 - QD2 LEU 62 lone 0 60 - 1 - HA SER 11 - QG2 VAL 30 lone 0 52 - 1 - HB THR 46 - QG2 VAL 30 lone 0 25 - 1 - Peak 2874 from cnoeabs.peaks (1.89, 0.84, 23.71 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2875 from cnoeabs.peaks (1.53, 0.84, 23.71 ppm; 3.06 A): 1 out of 20 assignments used, quality = 0.96: * HB3 LEU 62 + QD2 LEU 62 OK 96 100 - 96 - 3.1=94, 3.6/2872=14...(6) HG LEU 53 - QD2 LEU 62 OK 42 65 - 65 - 2.1/7100=17, ~5962=13...(14) HB3 LYS 63 - QD2 LEU 62 OK 18 100 - 18 - 3.9/286=7, 4.7/5991=3...(5) HB3 LYS 94 - QD2 LEU 62 OK 10 97 - 10 - 4.0/5967=2, 4.6/6903=1 HG LEU 53 - QG2 VAL 30 OK 10 28 - 36 - 2.1/5821=7, 2.1/5825=6...(12) HG2 LYS 94 - QD2 LEU 62 lone 7 83 - 9 - 4.9/5967=1, 4.9/6903=1 HG13 ILE 93 - QG2 VAL 30 poor 6 52 - 11 - ~5043=2, ~6842=1...(6) HB3 LEU 62 - QG2 VAL 30 lone 5 53 - 9 - 3.0/2849=2, 3.6/878=2, 4.4/286=1 HG13 ILE 93 - QD2 LEU 62 lone 4 100 - 4 - HG2 LYS 45 - QD2 LEU 62 lone 4 97 - 4 - HG3 LYS 41 - QG2 VAL 30 lone 4 40 - 9 - ~7084=2, ~5462=1...(5) HD2 LYS 86 - QD2 LEU 62 lone 3 90 - 4 - HB3 LYS 63 - QG2 VAL 30 lone 3 53 - 5 - 3.9/286=2 HG3 LYS 41 - QD2 LEU 62 lone 2 87 - 3 - HB3 LYS 94 - QG2 VAL 30 lone 2 48 - 4 - 6872/4.2=1 HG3 LYS 44 - QD2 LEU 62 lone 1 63 - 2 - HG2 LYS 94 - QG2 VAL 30 lone 1 38 - 3 - HG2 LYS 45 - QG2 VAL 30 lone 1 48 - 2 - HD2 LYS 86 - QG2 VAL 30 lone 1 43 - 1 - HG3 LYS 44 - QG2 VAL 30 lone 0 27 - 1 - Peak 2876 from cnoeabs.peaks (1.81, 0.84, 23.71 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2877 from cnoeabs.peaks (0.84, 0.84, 23.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 QG2 VAL 30 + QG2 VAL 30 OK 50 50 - 100 Peak 2878 from cnoeabs.peaks (1.00, 0.84, 23.71 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2879 from cnoeabs.peaks (8.77, 1.00, 26.12 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 62 + QD1 LEU 62 OK 98 100 - 98 - 4.5=74, 2865/2.1=43...(13) Peak 2880 from cnoeabs.peaks (4.36, 1.00, 26.12 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 4.0=100 Peak 2881 from cnoeabs.peaks (1.89, 1.00, 26.12 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2882 from cnoeabs.peaks (1.53, 1.00, 26.12 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 3.1=100 Peak 2883 from cnoeabs.peaks (1.81, 1.00, 26.12 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2884 from cnoeabs.peaks (0.84, 1.00, 26.12 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 Peak 2885 from cnoeabs.peaks (1.00, 1.00, 26.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 Peak 2886 from cnoeabs.peaks (8.00, 4.27, 56.09 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 63 + HA LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2887 from cnoeabs.peaks (4.27, 4.27, 56.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 63 + HA LYS 63 OK 100 100 - 100 Peak 2888 from cnoeabs.peaks (1.88, 4.27, 56.09 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 63 + HA LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2889 from cnoeabs.peaks (1.53, 4.27, 56.09 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 63 + HA LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2890 from cnoeabs.peaks (1.43, 4.27, 56.09 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.97: * HG2 LYS 63 + HA LYS 63 OK 83 100 - 83 - 4.2=44, 3.0/2937=10...(32) HG3 LYS 63 + HA LYS 63 OK 83 100 - 83 - 4.2=44, 3.0/2937=10...(32) HG3 LYS 61 - HA LYS 63 OK 23 96 - 24 - 2927=3, 884/3.0=3...(10) HG2 LYS 61 - HA LYS 63 OK 23 95 - 24 - 2917=3, 885/3.0=3...(10) HG3 LYS 94 - HA LYS 63 OK 23 99 - 23 - 3887/3.0=3, 2.9/2893=2...(9) HG13 ILE 51 - HA LYS 63 OK 15 100 - 15 - ~287=3, ~5977=2...(7) HB ILE 51 - HA LYS 63 OK 11 73 - 14 - ~7053=2, ~287=2, ~5977=1...(5) HD3 LYS 86 - HA LYS 63 lone 9 96 - 9 - ~3602=2, 3612/3.0=1, ~3582=1 QG2 THR 67 - HA LYS 63 lone 2 85 - 3 - 6069/5972=1 HG12 ILE 80 - HA LYS 63 lone 2 85 - 2 - Peak 2891 from cnoeabs.peaks (1.43, 4.27, 56.09 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.97: HG2 LYS 63 + HA LYS 63 OK 83 100 - 83 - 4.2=44, 3.0/2937=10...(32) * HG3 LYS 63 + HA LYS 63 OK 83 100 - 83 - 4.2=44, 3.0/2937=10...(32) HG3 LYS 61 - HA LYS 63 OK 23 96 - 24 - 2927=3, 884/3.0=3...(10) HG2 LYS 61 - HA LYS 63 OK 23 95 - 24 - 2917=3, 885/3.0=3...(10) HG3 LYS 94 - HA LYS 63 OK 23 99 - 23 - 3887/3.0=3, 2.9/2893=2...(9) HG13 ILE 51 - HA LYS 63 OK 15 100 - 15 - ~287=3, ~5977=2...(7) HB ILE 51 - HA LYS 63 OK 11 73 - 14 - ~7053=2, ~287=2, ~5977=1...(5) HD3 LYS 86 - HA LYS 63 lone 9 96 - 9 - ~3602=2, 3612/3.0=1, ~3582=1 QG2 THR 67 - HA LYS 63 lone 2 85 - 3 - 6069/5972=1 HG12 ILE 80 - HA LYS 63 lone 2 85 - 2 - Peak 2892 from cnoeabs.peaks (1.59, 4.27, 56.09 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.96: * HD2 LYS 63 + HA LYS 63 OK 96 100 - 96 - 5.0=66, 2912/3.0=24...(39) HG3 LYS 77 - HA LYS 63 OK 29 71 - 41 - 2902/3.0=6, 2912/3.0=6...(13) HG2 LYS 77 - HA LYS 63 OK 28 68 - 41 - 2902/3.0=6, 2912/3.0=6...(13) QB ALA 76 - HA LYS 63 OK 13 99 - 12 - 886/3.0=3, 2902/3.0=3 Peak 2893 from cnoeabs.peaks (1.68, 4.27, 56.09 ppm; 4.40 A): 3 out of 18 assignments used, quality = 0.99: * HD3 LYS 63 + HA LYS 63 OK 96 100 - 96 - 5.0=67, 1.8/2937=25...(29) HD3 LYS 94 + HA LYS 63 OK 55 100 - 55 - 2903/3.0=5, 2913/3.0=5...(30) HD2 LYS 94 + HA LYS 63 OK 55 100 - 55 - 2903/3.0=5, 2913/3.0=5...(30) HD2 LYS 61 - HA LYS 63 OK 43 100 - 44 - 3.0/2890=4, 3.0/2890=4...(16) HD3 LYS 61 - HA LYS 63 OK 43 100 - 44 - 3.0/2890=4, 3.0/2890=4...(16) HB3 LYS 61 - HA LYS 63 OK 26 76 - 34 - ~282=5, 3.0/2891=4...(15) HD2 LYS 77 - HA LYS 63 OK 21 81 - 27 - 3.0/2892=6, 3.0/2892=5...(10) HG3 ARG 57 - HA LYS 63 OK 21 100 - 20 - 5891=4, 1.8/5891=3...(7) HG2 ARG 57 - HA LYS 63 OK 21 100 - 20 - 5891=4, 1.8/5891=3...(7) HD3 LYS 45 - HA LYS 63 OK 20 83 - 24 - 3.0/2895=2, 3.0/2895=2...(10) HD2 LYS 45 - HA LYS 63 OK 19 78 - 24 - 3.0/2895=2, 3.0/2895=2...(10) HD2 LYS 44 - HA LYS 63 lone 10 100 - 9 - HD3 LYS 44 - HA LYS 63 lone 10 100 - 9 - HD3 LYS 35 - HA LYS 63 lone 8 100 - 8 - 1844/3.6=4 QB ALA 79 - HA LYS 63 lone 6 95 - 7 - 6461/3.0=1 HB ILE 40 - HA LYS 63 lone 5 100 - 5 - ~5399=1 HG12 ILE 27 - HA LYS 63 lone 3 76 - 4 - HG12 ILE 39 - HA LYS 63 lone 2 97 - 2 - Peak 2894 from cnoeabs.peaks (2.98, 4.27, 56.09 ppm; 5.43 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 63 + HA LYS 63 OK 98 100 - 98 - 6.3=64, 3.0/2937=29...(42) HE3 LYS 63 + HA LYS 63 OK 98 100 - 98 - 6.3=64, 3.0/2937=29...(42) HE3 LYS 94 + HA LYS 63 OK 58 100 - 58 - 2914/3.0=6, 2904/3.0=6...(23) HE2 LYS 94 + HA LYS 63 OK 58 100 - 58 - 2914/3.0=6, 2904/3.0=6...(23) HE3 LYS 45 - HA LYS 63 OK 33 90 - 36 - 2905/3.0=3, 2915/3.0=3...(14) HE2 LYS 45 - HA LYS 63 OK 33 90 - 36 - 2905/3.0=3, 2915/3.0=3...(14) HE3 LYS 61 - HA LYS 63 OK 26 71 - 37 - 2.9/2893=4, 2.9/2893=4...(13) Peak 2895 from cnoeabs.peaks (2.98, 4.27, 56.09 ppm; 5.43 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 63 + HA LYS 63 OK 98 100 - 98 - 6.3=64, 3.0/2937=29...(42) HE2 LYS 63 + HA LYS 63 OK 98 100 - 98 - 6.3=64, 3.0/2937=29...(42) HE2 LYS 94 + HA LYS 63 OK 58 100 - 58 - 2914/3.0=6, 2904/3.0=6...(23) HE3 LYS 94 + HA LYS 63 OK 58 100 - 58 - 2914/3.0=6, 2904/3.0=6...(23) HE2 LYS 45 - HA LYS 63 OK 33 92 - 36 - 2905/3.0=3, 2915/3.0=3...(14) HE3 LYS 45 - HA LYS 63 OK 33 92 - 36 - 2905/3.0=3, 2915/3.0=3...(14) HE3 LYS 61 - HA LYS 63 OK 27 73 - 37 - 2.9/2893=4, 2.9/2893=4...(13) Peak 2896 from cnoeabs.peaks (8.00, 1.88, 33.95 ppm; 3.86 A): 1 out of 5 assignments used, quality = 0.98: * H LYS 63 + HB2 LYS 63 OK 98 100 - 98 - 3.9=93, 2906/1.8=23...(15) H GLY 22 - HB2 LYS 63 OK 22 100 - 23 - 4847/4.7=6, 2906/1.8=5...(6) H PHE 34 - HB2 LYS 63 OK 19 97 - 19 - 2906/1.8=4, 1086/4.7=4...(7) H LYS 86 - HB2 LYS 63 OK 18 93 - 19 - 2906/1.8=5, 997/2.9=3...(8) H VAL 30 - HB2 LYS 63 lone 4 71 - 6 - 1144/4.7=2, 2906/1.8=1 Peak 2897 from cnoeabs.peaks (4.27, 1.88, 33.95 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2898 from cnoeabs.peaks (1.88, 1.88, 33.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 63 + HB2 LYS 63 OK 100 100 - 100 Peak 2899 from cnoeabs.peaks (1.53, 1.88, 33.95 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 1.8=100 Peak 2900 from cnoeabs.peaks (1.43, 1.88, 33.95 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 2.9=100 * HG2 LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2901 from cnoeabs.peaks (1.43, 1.88, 33.95 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 2.9=100 HG2 LYS 63 + HB2 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2902 from cnoeabs.peaks (1.59, 1.88, 33.95 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.98: * HD2 LYS 63 + HB2 LYS 63 OK 98 100 - 98 - 3.9=81, 2912/1.8=23...(60) HG3 LYS 77 - HB2 LYS 63 OK 27 71 - 38 - 2.9/7101=8, 2912/1.8=6...(12) HG2 LYS 77 - HB2 LYS 63 OK 26 68 - 38 - 2.9/7101=8, 2912/1.8=6...(12) QB ALA 76 - HB2 LYS 63 OK 13 99 - 13 - 3.6/945=2, 2912/1.8=2...(5) Peak 2903 from cnoeabs.peaks (1.68, 1.88, 33.95 ppm; 3.70 A): 3 out of 18 assignments used, quality = 0.99: * HD3 LYS 63 + HB2 LYS 63 OK 98 100 - 98 - 3.9=84, 1.8/2902=22...(42) HD2 LYS 94 + HB2 LYS 63 OK 50 100 - 50 - 2913/1.8=4, 3.0/2904=4...(21) HD3 LYS 94 + HB2 LYS 63 OK 50 100 - 50 - 2913/1.8=4, 3.0/2904=4...(21) HD2 LYS 61 - HB2 LYS 63 OK 34 100 - 35 - 2913/1.8=3, 2893/3.0=2...(6) HD3 LYS 61 - HB2 LYS 63 OK 34 100 - 35 - 2913/1.8=3, 2893/3.0=2...(6) HD2 LYS 77 - HB2 LYS 63 OK 22 81 - 27 - 3.7/7101=6, 3.0/2902=5...(9) HD3 LYS 45 - HB2 LYS 63 OK 19 83 - 22 - 3.0/2905=2, 3.0/2905=2...(6) HD2 LYS 45 - HB2 LYS 63 OK 18 78 - 23 - 3.0/2905=2, 3.0/2905=2...(6) HB3 LYS 61 - HB2 LYS 63 OK 15 76 - 20 - 4.4/875=4, 887/3.9=2...(5) HG2 ARG 57 - HB2 LYS 63 OK 10 100 - 10 - 5891/3.0=2, ~5891=1 HG3 ARG 57 - HB2 LYS 63 OK 10 100 - 10 - 5891/3.0=2, ~5891=1 HD2 LYS 44 - HB2 LYS 63 lone 9 100 - 8 - HD3 LYS 44 - HB2 LYS 63 lone 9 100 - 8 - HD3 LYS 35 - HB2 LYS 63 lone 6 100 - 6 - 1844/4.7=2 QB ALA 79 - HB2 LYS 63 lone 4 95 - 4 - HB ILE 40 - HB2 LYS 63 lone 2 100 - 2 - HG12 ILE 27 - HB2 LYS 63 lone 2 76 - 2 - HG12 ILE 39 - HB2 LYS 63 lone 1 97 - 1 - Peak 2904 from cnoeabs.peaks (2.98, 1.88, 33.95 ppm; 3.91 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 63 + HB2 LYS 63 OK 95 100 - 95 - 4.8=55, 3.0/2902=19...(62) HE3 LYS 63 + HB2 LYS 63 OK 95 100 - 95 - 4.8=55, 3.0/2902=19...(62) HE3 LYS 94 + HB2 LYS 63 OK 48 100 - 48 - 2914/1.8=4, 3.0/2903=4...(18) HE2 LYS 94 + HB2 LYS 63 OK 47 100 - 48 - 2914/1.8=4, 3.0/2903=4...(18) HE3 LYS 45 - HB2 LYS 63 OK 26 90 - 28 - 2915/1.8=2, ~2915=2...(10) HE2 LYS 45 - HB2 LYS 63 OK 26 90 - 28 - 2915/1.8=2, ~2915=2...(10) HE3 LYS 61 - HB2 LYS 63 OK 17 71 - 24 - 2.9/2903=3, 2.9/2903=3...(7) Peak 2905 from cnoeabs.peaks (2.98, 1.88, 33.95 ppm; 3.91 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 63 + HB2 LYS 63 OK 95 100 - 95 - 4.8=55, 3.0/2902=19...(62) * HE3 LYS 63 + HB2 LYS 63 OK 95 100 - 95 - 4.8=55, 3.0/2902=19...(62) HE3 LYS 94 + HB2 LYS 63 OK 48 100 - 48 - 2914/1.8=4, 3.0/2903=4...(18) HE2 LYS 94 + HB2 LYS 63 OK 47 100 - 48 - 2914/1.8=4, 3.0/2903=4...(18) HE3 LYS 45 - HB2 LYS 63 OK 26 92 - 28 - 2915/1.8=2, ~2915=2...(10) HE2 LYS 45 - HB2 LYS 63 OK 26 92 - 28 - 2915/1.8=2, ~2915=2...(10) HE3 LYS 61 - HB2 LYS 63 OK 18 73 - 24 - 2.9/2903=3, 2.9/2903=3...(7) Peak 2906 from cnoeabs.peaks (8.00, 1.53, 33.95 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.94: * H LYS 63 + HB3 LYS 63 OK 94 100 - 94 - 3.9=83, 2896/1.8=21...(16) H GLY 22 - HB3 LYS 63 OK 21 100 - 22 - 4847/4.7=6, 2896/1.8=5...(6) H LYS 86 - HB3 LYS 63 OK 20 93 - 22 - 2896/1.8=4, 996=4...(8) H PHE 34 - HB3 LYS 63 OK 17 97 - 17 - 2896/1.8=4, 1086/4.7=4...(6) H VAL 30 - HB3 LYS 63 lone 4 71 - 6 - 1144/4.7=2 Peak 2907 from cnoeabs.peaks (4.27, 1.53, 33.95 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2908 from cnoeabs.peaks (1.88, 1.53, 33.95 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 1.8=100 Peak 2909 from cnoeabs.peaks (1.53, 1.53, 33.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 63 + HB3 LYS 63 OK 100 100 - 100 Peak 2910 from cnoeabs.peaks (1.43, 1.53, 33.95 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 2.9=100 * HG2 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2911 from cnoeabs.peaks (1.43, 1.53, 33.95 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 2.9=100 HG2 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2912 from cnoeabs.peaks (1.59, 1.53, 33.95 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.97: * HD2 LYS 63 + HB3 LYS 63 OK 97 100 - 97 - 3.9=79, 2902/1.8=22...(46) HG3 LYS 77 - HB3 LYS 63 OK 24 71 - 34 - 2902/1.8=6, ~7101=5...(12) HG2 LYS 77 - HB3 LYS 63 OK 23 68 - 34 - 2902/1.8=6, ~7101=5...(12) QB ALA 76 - HB3 LYS 63 lone 10 99 - 9 - 2902/1.8=3, 886/3.9=2 Peak 2913 from cnoeabs.peaks (1.68, 1.53, 33.95 ppm; 3.88 A): 3 out of 18 assignments used, quality = 1.00: * HD3 LYS 63 + HB3 LYS 63 OK 100 100 - 100 - 3.9=96, 1.8/2912=26...(39) HD2 LYS 94 + HB3 LYS 63 OK 54 100 - 54 - 2903/1.8=5, 2.9/3887=5...(26) HD3 LYS 94 + HB3 LYS 63 OK 54 100 - 54 - 2903/1.8=5, 2.9/3887=5...(26) HD2 LYS 61 - HB3 LYS 63 OK 36 100 - 37 - 2903/1.8=3, ~2903=2...(15) HD3 LYS 61 - HB3 LYS 63 OK 36 100 - 37 - 2903/1.8=3, ~2903=2...(15) HD3 LYS 45 - HB3 LYS 63 OK 21 83 - 24 - 2903/1.8=2, 3.0/2915=2...(7) HD2 LYS 77 - HB3 LYS 63 OK 20 81 - 25 - 3.0/2912=5, 3.7/7208=5...(7) HD2 LYS 45 - HB3 LYS 63 OK 19 78 - 25 - 3.0/2915=2, 3.0/2915=2...(7) HB3 LYS 61 - HB3 LYS 63 OK 17 76 - 23 - 4.4/876=4, 887/3.9=2...(10) HG2 ARG 57 - HB3 LYS 63 OK 11 100 - 11 - 5891/3.0=2, ~5891=1, 2903/1.8=1 HG3 ARG 57 - HB3 LYS 63 OK 11 100 - 11 - 5891/3.0=2, ~5891=1, 2903/1.8=1 HD2 LYS 44 - HB3 LYS 63 lone 9 100 - 9 - HD3 LYS 44 - HB3 LYS 63 lone 9 100 - 9 - HD3 LYS 35 - HB3 LYS 63 lone 7 100 - 6 - 1844/4.7=2 QB ALA 79 - HB3 LYS 63 lone 4 95 - 4 - HB ILE 40 - HB3 LYS 63 lone 3 100 - 3 - HG12 ILE 27 - HB3 LYS 63 lone 2 76 - 2 - HG12 ILE 39 - HB3 LYS 63 lone 1 97 - 1 - Peak 2914 from cnoeabs.peaks (2.98, 1.53, 33.95 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 63 + HB3 LYS 63 OK 99 100 - 99 - 4.8=82, 3.0/2912=25...(63) HE3 LYS 63 + HB3 LYS 63 OK 99 100 - 99 - 4.8=82, 3.0/2912=25...(63) HE3 LYS 94 + HB3 LYS 63 OK 59 100 - 59 - 2904/1.8=6, 3.0/2913=5...(28) HE2 LYS 94 + HB3 LYS 63 OK 59 100 - 59 - 2904/1.8=6, 3.0/2913=5...(28) HE3 LYS 45 - HB3 LYS 63 OK 30 90 - 33 - 2905/1.8=3, ~2905=2...(11) HE2 LYS 45 - HB3 LYS 63 OK 30 90 - 33 - 2905/1.8=3, ~2905=2...(11) HE3 LYS 61 - HB3 LYS 63 OK 20 71 - 29 - 2.9/2913=3, 2.9/2913=3...(10) Peak 2915 from cnoeabs.peaks (2.98, 1.53, 33.95 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 63 + HB3 LYS 63 OK 99 100 - 99 - 4.8=82, 3.0/2912=25...(63) * HE3 LYS 63 + HB3 LYS 63 OK 99 100 - 99 - 4.8=82, 3.0/2912=25...(64) HE3 LYS 94 + HB3 LYS 63 OK 59 100 - 59 - 2904/1.8=6, 3.0/2913=5...(28) HE2 LYS 94 + HB3 LYS 63 OK 59 100 - 59 - 2904/1.8=6, 3.0/2913=5...(28) HE3 LYS 45 - HB3 LYS 63 OK 31 92 - 33 - 2905/1.8=3, ~2905=2...(11) HE2 LYS 45 - HB3 LYS 63 OK 31 92 - 33 - 2905/1.8=3, ~2905=2...(11) HE3 LYS 61 - HB3 LYS 63 OK 21 73 - 29 - 2.9/2913=3, 2.9/2913=3...(10) Peak 2916 from cnoeabs.peaks (8.00, 1.43, 25.09 ppm; 3.52 A): 2 out of 20 assignments used, quality = 0.97: * H LYS 63 + HG2 LYS 63 OK 82 100 - 82 - 4.9=37, 2906/2.9=15...(21) H LYS 63 + HG3 LYS 63 OK 82 100 - 82 - 4.9=37, 2906/2.9=15...(21) H LYS 63 - HG3 LYS 61 OK 40 87 - 46 - 281/5.0=13, 282/3.9=7...(15) H LYS 63 - HG2 LYS 61 OK 39 85 - 46 - 281/5.0=13, 282/3.9=7...(15) H LYS 86 - HG3 LYS 63 OK 19 93 - 21 - 2906/2.9=3, 997=3...(7) H LYS 86 - HG2 LYS 63 OK 19 93 - 21 - 2906/2.9=3, 997=3...(7) H PHE 34 - HG2 LYS 63 OK 14 97 - 14 - 2896/2.9=3, 2906/2.9=3...(4) H PHE 34 - HG3 LYS 63 OK 14 97 - 14 - 2896/2.9=3, 2906/2.9=3...(4) H GLY 22 - HG3 LYS 63 OK 13 100 - 14 - 2906/2.9=3, 2896/2.9=3...(4) H GLY 22 - HG2 LYS 63 OK 13 100 - 14 - 2906/2.9=3, 2896/2.9=3...(4) H LYS 86 - HG3 LYS 61 lone 6 76 - 8 - 997=1, 1106/5.0=1, 997/1.8=1 H LYS 86 - HG2 LYS 61 lone 6 74 - 8 - 997=1, 1106/5.0=1, 997/1.8=1 H PHE 34 - HG3 LYS 61 lone 4 81 - 5 - 1106/5.0=1 H PHE 34 - HG2 LYS 61 lone 4 80 - 5 - 1106/5.0=1 H GLY 22 - HG3 LYS 61 lone 4 87 - 4 - 1106/5.0=2 H GLY 22 - HG2 LYS 61 lone 4 85 - 4 - 1106/5.0=2 H VAL 30 - HG2 LYS 63 lone 2 71 - 3 - H VAL 30 - HG3 LYS 63 lone 2 71 - 3 - H VAL 30 - HG3 LYS 61 lone 1 55 - 2 - H VAL 30 - HG2 LYS 61 lone 1 53 - 2 - Peak 2917 from cnoeabs.peaks (4.27, 1.43, 25.09 ppm; 3.45 A): 2 out of 28 assignments used, quality = 0.99: HA LYS 63 + HG3 LYS 63 OK 91 100 - 91 - 4.2=58, 2937/3.0=12...(35) * HA LYS 63 + HG2 LYS 63 OK 91 100 - 91 - 4.2=58, 2937/3.0=12...(35) HA LYS 63 - HG3 LYS 61 OK 26 87 - 30 - 2891=4, 3.0/884=4...(13) HA LYS 63 - HG2 LYS 61 OK 25 85 - 30 - 2891=4, 3.0/884=4...(13) HA LYS 45 - HG3 LYS 61 poor 7 50 - 15 - ~791=2, 2252/1.8=1...(4) HA3 GLY 85 - HG3 LYS 63 lone 7 99 - 7 - 3.6/997=2, 2937/3.0=1 HA3 GLY 85 - HG2 LYS 63 lone 7 99 - 7 - 3.6/997=2, 2937/3.0=1 HA LYS 45 - HG2 LYS 61 poor 7 49 - 14 - ~791=2, 2252/1.8=1...(4) HA LYS 45 - HG3 LYS 63 lone 6 65 - 10 - 2937/3.0=1 HA LYS 45 - HG2 LYS 63 lone 6 65 - 10 - 2937/3.0=1 HD2 PRO 73 - HG2 LYS 63 lone 4 100 - 4 - 2937/3.0=1 HD2 PRO 73 - HG3 LYS 63 lone 4 100 - 4 - 2937/3.0=1 HA ALA 79 - HG2 LYS 63 lone 4 100 - 3 - HA ALA 79 - HG3 LYS 63 lone 4 100 - 3 - HA ALA 79 - HG3 LYS 61 lone 3 86 - 4 - HA VAL 68 - HG3 LYS 63 lone 3 71 - 4 - HA VAL 68 - HG2 LYS 63 lone 3 71 - 4 - HA ALA 79 - HG2 LYS 61 lone 3 84 - 4 - HA3 GLY 85 - HG3 LYS 61 lone 2 83 - 3 - HA3 GLY 85 - HG2 LYS 61 lone 2 81 - 3 - HA GLU 58 - HG2 LYS 63 lone 2 99 - 2 - HA GLU 58 - HG3 LYS 63 lone 2 99 - 2 - HA GLU 58 - HG3 LYS 61 lone 1 85 - 1 - HA GLU 58 - HG2 LYS 61 lone 1 83 - 1 - HD2 PRO 73 - HG3 LYS 61 lone 1 86 - 1 - HA VAL 68 - HG3 LYS 61 lone 1 55 - 2 - HD2 PRO 73 - HG2 LYS 61 lone 1 84 - 1 - HA VAL 68 - HG2 LYS 61 lone 1 53 - 2 - Peak 2918 from cnoeabs.peaks (1.88, 1.43, 25.09 ppm; 2.96 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 63 + HG3 LYS 63 OK 100 100 - 100 - 2.9=100 * HB2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2919 from cnoeabs.peaks (1.53, 1.43, 25.09 ppm; 2.71 A): 2 out of 40 assignments used, quality = 0.99: HB3 LYS 63 + HG3 LYS 63 OK 90 100 - 90 - 2.9=78, 2912/3.0=10...(23) * HB3 LYS 63 + HG2 LYS 63 OK 90 100 - 90 - 2.9=78, 2912/3.0=10...(23) HB3 LYS 94 - HG2 LYS 63 OK 25 99 - 26 - 3868/2.9=2, 3.0/3849=2...(6) HB3 LYS 94 - HG3 LYS 63 OK 25 99 - 26 - 3868/2.9=2, 3.0/3849=2...(6) HG2 LYS 94 - HG3 LYS 63 OK 17 76 - 22 - 3877/2.9=1, 4.0/3849=1, ~3887=1 HG2 LYS 94 - HG2 LYS 63 OK 17 76 - 22 - 3877/2.9=1, 4.0/3849=1, ~3887=1 HB3 LEU 62 - HG3 LYS 61 OK 14 86 - 16 - 876/5.0=4, 3.0/2759=2...(7) HB3 LEU 62 - HG2 LYS 61 OK 13 84 - 16 - 876/5.0=4, 3.0/2759=2...(7) HB3 LYS 63 - HG3 LYS 61 OK 13 87 - 16 - 3.9/885=2, 3.0/2890=2...(5) HB3 LEU 62 - HG3 LYS 63 OK 13 100 - 13 - 4256/4.9=3, 5950/4.2=3 HB3 LEU 62 - HG2 LYS 63 OK 13 100 - 13 - 4256/4.9=3, 5950/4.2=3 HB3 LYS 63 - HG2 LYS 61 OK 13 85 - 16 - 3.9/884=2, 3.0/2891=1...(5) HB3 LYS 94 - HG3 LYS 61 poor 9 83 - 11 - 3870/3.0=1, 3871/3.0=1 HB3 LYS 94 - HG2 LYS 61 poor 9 81 - 11 - 3870/3.0=1, 3871/3.0=1 HG2 LYS 94 - HG3 LYS 61 lone 5 59 - 8 - HD2 LYS 86 - HG3 LYS 63 lone 5 95 - 5 - HD2 LYS 86 - HG2 LYS 63 lone 5 95 - 5 - HG2 LYS 94 - HG2 LYS 61 lone 5 58 - 8 - HG3 LYS 44 - HG3 LYS 61 lone 5 55 - 9 - HG3 LYS 44 - HG2 LYS 61 lone 5 53 - 9 - HG2 LYS 45 - HG3 LYS 63 lone 4 93 - 5 - HG2 LYS 45 - HG2 LYS 63 lone 4 93 - 5 - HG2 LYS 45 - HG3 LYS 61 lone 4 76 - 5 - HG2 LYS 45 - HG2 LYS 61 lone 4 74 - 5 - HD2 LYS 86 - HG3 LYS 61 lone 3 78 - 4 - 3.0/7111=1 HD2 LYS 86 - HG2 LYS 61 lone 3 76 - 4 - 3.0/7111=1 HG3 LYS 44 - HG3 LYS 63 lone 2 71 - 2 - HG3 LYS 44 - HG2 LYS 63 lone 2 71 - 2 - HG13 ILE 93 - HG2 LYS 63 lone 2 99 - 2 - HG13 ILE 93 - HG3 LYS 63 lone 2 99 - 2 - HG3 LYS 41 - HG3 LYS 61 lone 2 64 - 2 - HG3 LYS 41 - HG2 LYS 61 lone 2 62 - 2 - HG13 ILE 93 - HG3 LYS 61 lone 1 83 - 1 - HG13 ILE 93 - HG2 LYS 61 lone 1 81 - 1 - HG3 LYS 41 - HG2 LYS 63 lone 0 81 - 1 - HG3 LYS 41 - HG3 LYS 63 lone 0 81 - 1 - HG LEU 53 - HG2 LYS 63 lone 0 57 - 1 - HG LEU 53 - HG3 LYS 63 lone 0 57 - 1 - HG LEU 53 - HG3 LYS 61 lone 0 44 - 1 - HG LEU 53 - HG2 LYS 61 lone 0 42 - 1 - Peak 2920 from cnoeabs.peaks (1.43, 1.43, 25.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 HG3 LYS 63 + HG3 LYS 63 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 79 79 - 100 HG2 LYS 61 + HG2 LYS 61 OK 76 76 - 100 Peak 2921 from cnoeabs.peaks (1.43, 1.43, 25.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 HG3 LYS 63 + HG3 LYS 63 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 79 79 - 100 HG2 LYS 61 + HG2 LYS 61 OK 76 76 - 100 Reference assignment not found: HG3 LYS 63 - HG2 LYS 63 Peak 2922 from cnoeabs.peaks (1.59, 1.43, 25.09 ppm; 2.80 A): 2 out of 16 assignments used, quality = 1.00: * HD2 LYS 63 + HG2 LYS 63 OK 96 100 - 96 - 3.0=86, 2940/1.8=12...(40) HD2 LYS 63 + HG3 LYS 63 OK 96 100 - 96 - 3.0=86, 2940/1.8=12...(40) HD2 LYS 63 - HG3 LYS 61 OK 16 87 - 18 - 2941=3, 2940/1.8=2 HD2 LYS 63 - HG2 LYS 61 OK 15 85 - 18 - 2941=3, 2941/1.8=2 HG3 LYS 77 - HG2 LYS 63 OK 12 71 - 17 - 2902/2.9=3, 2912/2.9=3...(9) HG3 LYS 77 - HG3 LYS 63 OK 12 71 - 17 - 2902/2.9=3, 2912/2.9=3...(9) HG2 LYS 77 - HG2 LYS 63 OK 12 68 - 17 - 2902/2.9=3, 2912/2.9=2...(8) HG2 LYS 77 - HG3 LYS 63 OK 12 68 - 17 - 2902/2.9=3, 2912/2.9=2...(8) QB ALA 76 - HG3 LYS 63 lone 7 99 - 7 - 2902/2.9=1, 2912/2.9=1 QB ALA 76 - HG2 LYS 63 lone 7 99 - 7 - 2902/2.9=1, 2912/2.9=1 QB ALA 76 - HG3 LYS 61 lone 2 85 - 3 - QB ALA 76 - HG2 LYS 61 lone 2 83 - 3 - HG3 LYS 77 - HG3 LYS 61 lone 1 55 - 2 - HG3 LYS 77 - HG2 LYS 61 lone 1 53 - 2 - HG2 LYS 77 - HG3 LYS 61 lone 1 53 - 2 - HG2 LYS 77 - HG2 LYS 61 lone 1 51 - 2 - Peak 2923 from cnoeabs.peaks (1.68, 1.43, 25.09 ppm; 2.70 A): 8 out of 72 assignments used, quality = 1.00: * HD3 LYS 63 + HG2 LYS 63 OK 91 100 - 91 - 3.0=77, 1.8/2941=11...(21) HD3 LYS 63 + HG3 LYS 63 OK 91 100 - 91 - 3.0=77, 1.8/2941=11...(21) HD2 LYS 61 + HG3 LYS 61 OK 76 87 - 88 - 3.0=76, 1.8/2950=2...(28) HD3 LYS 61 + HG3 LYS 61 OK 76 87 - 88 - 3.0=76, 1.8/2950=2...(28) HD3 LYS 61 + HG2 LYS 61 OK 74 85 - 88 - 3.0=76, 2951/1.8=2...(30) HD2 LYS 61 + HG2 LYS 61 OK 74 85 - 88 - 3.0=76, 2951/1.8=2...(30) HB3 LYS 61 + HG3 LYS 61 OK 49 59 - 82 - 3.0=76, 4247/5.0=5...(12) HB3 LYS 61 + HG2 LYS 61 OK 48 58 - 82 - 3.0=76, 4247/5.0=5...(12) HD3 LYS 94 - HG3 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD3 LYS 94 - HG2 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 94 - HG2 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 94 - HG3 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 61 - HG3 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG3 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 63 - HG3 LYS 61 OK 14 87 - 16 - 1.8/2941=2, ~2941=1...(4) HD3 LYS 63 - HG2 LYS 61 OK 14 85 - 16 - 1.8/2941=2, ~2941=1...(4) HD2 LYS 44 - HG3 LYS 61 OK 11 87 - 13 - HD3 LYS 44 - HG3 LYS 61 OK 11 87 - 13 - HD2 LYS 44 - HG2 LYS 61 OK 11 85 - 13 - HD3 LYS 44 - HG2 LYS 61 OK 11 85 - 13 - HB3 LYS 61 - HG3 LYS 63 poor 10 76 - 13 - 4.4/276=1, 3.0/2759=1, 3.6/868=1 HB3 LYS 61 - HG2 LYS 63 poor 10 76 - 13 - 4.4/276=1, 3.0/2759=1, 3.6/868=1 HD3 LYS 45 - HG2 LYS 63 poor 8 83 - 10 - HD3 LYS 45 - HG3 LYS 63 poor 8 83 - 10 - HD2 LYS 45 - HG3 LYS 63 poor 8 78 - 10 - HD2 LYS 45 - HG2 LYS 63 poor 8 78 - 10 - HD3 LYS 94 - HG3 LYS 61 lone 8 86 - 9 - HD2 LYS 94 - HG3 LYS 61 lone 8 86 - 9 - HD3 LYS 94 - HG2 LYS 61 lone 8 84 - 9 - HD2 LYS 94 - HG2 LYS 61 lone 8 84 - 9 - HD2 LYS 77 - HG3 LYS 63 lone 7 81 - 8 - HD2 LYS 77 - HG2 LYS 63 lone 7 81 - 8 - HD3 LYS 35 - HG3 LYS 61 lone 5 86 - 6 - HD2 LYS 44 - HG2 LYS 63 lone 5 100 - 5 - HD2 LYS 44 - HG3 LYS 63 lone 5 100 - 5 - HD3 LYS 44 - HG2 LYS 63 lone 5 100 - 5 - HD3 LYS 44 - HG3 LYS 63 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 84 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 66 - 7 - HD3 LYS 45 - HG2 LYS 61 lone 5 64 - 7 - HD2 LYS 45 - HG3 LYS 61 lone 4 62 - 7 - HD2 LYS 45 - HG2 LYS 61 lone 4 60 - 7 - HG3 ARG 57 - HG2 LYS 63 lone 3 100 - 3 - HG3 ARG 57 - HG3 LYS 63 lone 3 100 - 3 - HG2 ARG 57 - HG3 LYS 63 lone 3 100 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 3 100 - 3 - QB ALA 79 - HG2 LYS 63 lone 3 95 - 3 - QB ALA 79 - HG3 LYS 63 lone 3 95 - 3 - HD3 LYS 35 - HG3 LYS 63 lone 2 100 - 2 - HD3 LYS 35 - HG2 LYS 63 lone 2 100 - 2 - QB ALA 79 - HG3 LYS 61 lone 2 78 - 3 - QB ALA 79 - HG2 LYS 61 lone 2 76 - 3 - HB ILE 40 - HG3 LYS 63 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 100 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 64 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 62 - 2 - HG12 ILE 27 - HG3 LYS 63 lone 1 76 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 1 76 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 87 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 85 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 87 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 87 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 85 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 85 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 80 - 1 - HG12 ILE 39 - HG3 LYS 63 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 63 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 78 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 0 59 - 1 - HG12 ILE 27 - HG2 LYS 61 lone 0 58 - 1 - Peak 2924 from cnoeabs.peaks (2.98, 1.43, 25.09 ppm; 3.39 A): 6 out of 28 assignments used, quality = 1.00: HE2 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(59) * HE2 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(59) HE3 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(57) HE3 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(57) HE3 LYS 61 + HG3 LYS 61 OK 48 55 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 61 + HG2 LYS 61 OK 46 53 - 86 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE3 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE2 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG3 LYS 61 OK 21 87 - 24 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 63 - HG2 LYS 61 OK 21 85 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG2 LYS 61 OK 21 85 - 24 - 3.0/2941=2, ~2941=1, ~2940=1 HE2 LYS 45 - HG3 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG2 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE2 LYS 45 - HG2 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG3 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 61 - HG2 LYS 63 OK 12 71 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 61 - HG3 LYS 63 OK 12 71 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 94 - HG3 LYS 61 OK 10 87 - 12 - HE3 LYS 94 - HG2 LYS 61 poor 10 85 - 12 - HE2 LYS 94 - HG3 LYS 61 poor 10 87 - 11 - HE2 LYS 94 - HG2 LYS 61 poor 9 85 - 11 - HE2 LYS 45 - HG3 LYS 61 poor 9 73 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 9 73 - 13 - HE2 LYS 45 - HG2 LYS 61 poor 9 71 - 13 - HE3 LYS 45 - HG2 LYS 61 poor 9 71 - 13 - Peak 2925 from cnoeabs.peaks (2.98, 1.43, 25.09 ppm; 3.39 A): 6 out of 28 assignments used, quality = 1.00: HE2 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(59) HE2 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(59) HE3 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(57) * HE3 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(57) HE3 LYS 61 + HG3 LYS 61 OK 50 57 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 61 + HG2 LYS 61 OK 48 56 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE3 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE2 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 63 - HG2 LYS 61 OK 21 85 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG2 LYS 61 OK 21 85 - 24 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 45 - HG3 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG2 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE2 LYS 45 - HG2 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG3 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 61 - HG3 LYS 63 OK 13 73 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 61 - HG2 LYS 63 OK 13 73 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 94 - HG3 LYS 61 OK 10 86 - 12 - HE3 LYS 94 - HG2 LYS 61 poor 10 84 - 12 - HE2 LYS 94 - HG3 LYS 61 poor 10 87 - 11 - HE2 LYS 45 - HG3 LYS 61 poor 10 75 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 10 75 - 13 - HE2 LYS 94 - HG2 LYS 61 poor 9 85 - 11 - HE2 LYS 45 - HG2 LYS 61 poor 9 73 - 13 - HE3 LYS 45 - HG2 LYS 61 poor 9 73 - 13 - Peak 2926 from cnoeabs.peaks (8.00, 1.43, 25.09 ppm; 3.52 A): 2 out of 20 assignments used, quality = 0.97: H LYS 63 + HG2 LYS 63 OK 82 100 - 82 - 4.9=37, 2906/2.9=15...(21) * H LYS 63 + HG3 LYS 63 OK 82 100 - 82 - 4.9=37, 2906/2.9=15...(21) H LYS 63 - HG3 LYS 61 OK 40 87 - 46 - 281/5.0=13, 282/3.9=7...(15) H LYS 63 - HG2 LYS 61 OK 39 85 - 46 - 281/5.0=13, 282/3.9=7...(15) H LYS 86 - HG3 LYS 63 OK 19 93 - 21 - 2906/2.9=3, 997=3...(7) H LYS 86 - HG2 LYS 63 OK 19 93 - 21 - 2906/2.9=3, 997=3...(7) H PHE 34 - HG2 LYS 63 OK 14 97 - 14 - 2896/2.9=3, 2906/2.9=3...(4) H PHE 34 - HG3 LYS 63 OK 14 97 - 14 - 2896/2.9=3, 2906/2.9=3...(4) H GLY 22 - HG3 LYS 63 OK 13 100 - 14 - 2906/2.9=3, 2896/2.9=3...(4) H GLY 22 - HG2 LYS 63 OK 13 100 - 14 - 2906/2.9=3, 2896/2.9=3...(4) H LYS 86 - HG3 LYS 61 lone 6 76 - 8 - 997=1, 1106/5.0=1, 997/1.8=1 H LYS 86 - HG2 LYS 61 lone 6 74 - 8 - 997=1, 1106/5.0=1, 997/1.8=1 H PHE 34 - HG3 LYS 61 lone 4 81 - 5 - 1106/5.0=1 H PHE 34 - HG2 LYS 61 lone 4 80 - 5 - 1106/5.0=1 H GLY 22 - HG3 LYS 61 lone 4 87 - 4 - 1106/5.0=2 H GLY 22 - HG2 LYS 61 lone 4 85 - 4 - 1106/5.0=2 H VAL 30 - HG2 LYS 63 lone 2 71 - 3 - H VAL 30 - HG3 LYS 63 lone 2 71 - 3 - H VAL 30 - HG3 LYS 61 lone 1 55 - 2 - H VAL 30 - HG2 LYS 61 lone 1 53 - 2 - Peak 2927 from cnoeabs.peaks (4.27, 1.43, 25.09 ppm; 3.45 A): 2 out of 28 assignments used, quality = 0.99: * HA LYS 63 + HG3 LYS 63 OK 91 100 - 91 - 4.2=58, 2937/3.0=12...(35) HA LYS 63 + HG2 LYS 63 OK 91 100 - 91 - 4.2=58, 2937/3.0=12...(35) HA LYS 63 - HG3 LYS 61 OK 26 87 - 30 - 2891=4, 3.0/884=4...(13) HA LYS 63 - HG2 LYS 61 OK 25 85 - 30 - 2891=4, 3.0/884=4...(13) HA LYS 45 - HG3 LYS 61 poor 7 50 - 15 - ~791=2, 2252/1.8=1...(4) HA3 GLY 85 - HG3 LYS 63 lone 7 99 - 7 - 3.6/997=2, 2937/3.0=1 HA3 GLY 85 - HG2 LYS 63 lone 7 99 - 7 - 3.6/997=2, 2937/3.0=1 HA LYS 45 - HG2 LYS 61 poor 7 49 - 14 - ~791=2, 2252/1.8=1...(4) HA LYS 45 - HG3 LYS 63 lone 6 65 - 10 - 2937/3.0=1 HA LYS 45 - HG2 LYS 63 lone 6 65 - 10 - 2937/3.0=1 HD2 PRO 73 - HG2 LYS 63 lone 4 100 - 4 - 2937/3.0=1 HD2 PRO 73 - HG3 LYS 63 lone 4 100 - 4 - 2937/3.0=1 HA ALA 79 - HG2 LYS 63 lone 4 100 - 3 - HA ALA 79 - HG3 LYS 63 lone 4 100 - 3 - HA ALA 79 - HG3 LYS 61 lone 3 86 - 4 - HA VAL 68 - HG3 LYS 63 lone 3 71 - 4 - HA VAL 68 - HG2 LYS 63 lone 3 71 - 4 - HA ALA 79 - HG2 LYS 61 lone 3 84 - 4 - HA3 GLY 85 - HG3 LYS 61 lone 2 83 - 3 - HA3 GLY 85 - HG2 LYS 61 lone 2 81 - 3 - HA GLU 58 - HG2 LYS 63 lone 2 99 - 2 - HA GLU 58 - HG3 LYS 63 lone 2 99 - 2 - HA GLU 58 - HG3 LYS 61 lone 1 85 - 1 - HA GLU 58 - HG2 LYS 61 lone 1 83 - 1 - HD2 PRO 73 - HG3 LYS 61 lone 1 86 - 1 - HA VAL 68 - HG3 LYS 61 lone 1 55 - 2 - HD2 PRO 73 - HG2 LYS 61 lone 1 84 - 1 - HA VAL 68 - HG2 LYS 61 lone 1 53 - 2 - Peak 2928 from cnoeabs.peaks (1.88, 1.43, 25.09 ppm; 2.96 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 63 + HG3 LYS 63 OK 100 100 - 100 - 2.9=100 HB2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 - 2.9=100 Peak 2929 from cnoeabs.peaks (1.53, 1.43, 25.09 ppm; 2.71 A): 2 out of 40 assignments used, quality = 0.99: * HB3 LYS 63 + HG3 LYS 63 OK 90 100 - 90 - 2.9=78, 2912/3.0=10...(23) HB3 LYS 63 + HG2 LYS 63 OK 90 100 - 90 - 2.9=78, 2912/3.0=10...(23) HB3 LYS 94 - HG2 LYS 63 OK 25 99 - 26 - 3868/2.9=2, 3.0/3849=2...(6) HB3 LYS 94 - HG3 LYS 63 OK 25 99 - 26 - 3868/2.9=2, 3.0/3849=2...(6) HG2 LYS 94 - HG3 LYS 63 OK 17 76 - 22 - 3877/2.9=1, 4.0/3849=1, ~3887=1 HG2 LYS 94 - HG2 LYS 63 OK 17 76 - 22 - 3877/2.9=1, 4.0/3849=1, ~3887=1 HB3 LEU 62 - HG3 LYS 61 OK 14 86 - 16 - 876/5.0=4, 3.0/2759=2...(7) HB3 LEU 62 - HG2 LYS 61 OK 13 84 - 16 - 876/5.0=4, 3.0/2759=2...(7) HB3 LYS 63 - HG3 LYS 61 OK 13 87 - 16 - 3.9/885=2, 3.0/2890=2...(5) HB3 LEU 62 - HG3 LYS 63 OK 13 100 - 13 - 4256/4.9=3, 5950/4.2=3 HB3 LEU 62 - HG2 LYS 63 OK 13 100 - 13 - 4256/4.9=3, 5950/4.2=3 HB3 LYS 63 - HG2 LYS 61 OK 13 85 - 16 - 3.9/884=2, 3.0/2891=1...(5) HB3 LYS 94 - HG3 LYS 61 poor 9 83 - 11 - 3870/3.0=1, 3871/3.0=1 HB3 LYS 94 - HG2 LYS 61 poor 9 81 - 11 - 3870/3.0=1, 3871/3.0=1 HG2 LYS 94 - HG3 LYS 61 lone 5 59 - 8 - HD2 LYS 86 - HG3 LYS 63 lone 5 95 - 5 - HD2 LYS 86 - HG2 LYS 63 lone 5 95 - 5 - HG2 LYS 94 - HG2 LYS 61 lone 5 58 - 8 - HG3 LYS 44 - HG3 LYS 61 lone 5 55 - 9 - HG3 LYS 44 - HG2 LYS 61 lone 5 53 - 9 - HG2 LYS 45 - HG3 LYS 63 lone 4 93 - 5 - HG2 LYS 45 - HG2 LYS 63 lone 4 93 - 5 - HG2 LYS 45 - HG3 LYS 61 lone 4 76 - 5 - HG2 LYS 45 - HG2 LYS 61 lone 4 74 - 5 - HD2 LYS 86 - HG3 LYS 61 lone 3 78 - 4 - 3.0/7111=1 HD2 LYS 86 - HG2 LYS 61 lone 3 76 - 4 - 3.0/7111=1 HG3 LYS 44 - HG3 LYS 63 lone 2 71 - 2 - HG3 LYS 44 - HG2 LYS 63 lone 2 71 - 2 - HG13 ILE 93 - HG2 LYS 63 lone 2 99 - 2 - HG13 ILE 93 - HG3 LYS 63 lone 2 99 - 2 - HG3 LYS 41 - HG3 LYS 61 lone 2 64 - 2 - HG3 LYS 41 - HG2 LYS 61 lone 2 62 - 2 - HG13 ILE 93 - HG3 LYS 61 lone 1 83 - 1 - HG13 ILE 93 - HG2 LYS 61 lone 1 81 - 1 - HG3 LYS 41 - HG2 LYS 63 lone 0 81 - 1 - HG3 LYS 41 - HG3 LYS 63 lone 0 81 - 1 - HG LEU 53 - HG2 LYS 63 lone 0 57 - 1 - HG LEU 53 - HG3 LYS 63 lone 0 57 - 1 - HG LEU 53 - HG3 LYS 61 lone 0 44 - 1 - HG LEU 53 - HG2 LYS 61 lone 0 42 - 1 - Peak 2930 from cnoeabs.peaks (1.43, 1.43, 25.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 HG3 LYS 63 + HG3 LYS 63 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 79 79 - 100 HG2 LYS 61 + HG2 LYS 61 OK 76 76 - 100 Reference assignment not found: HG2 LYS 63 - HG3 LYS 63 Peak 2931 from cnoeabs.peaks (1.43, 1.43, 25.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 63 + HG2 LYS 63 OK 100 100 - 100 * HG3 LYS 63 + HG3 LYS 63 OK 100 100 - 100 HG3 LYS 61 + HG3 LYS 61 OK 79 79 - 100 HG2 LYS 61 + HG2 LYS 61 OK 76 76 - 100 Peak 2932 from cnoeabs.peaks (1.59, 1.43, 25.09 ppm; 2.80 A): 2 out of 16 assignments used, quality = 1.00: HD2 LYS 63 + HG2 LYS 63 OK 96 100 - 96 - 3.0=86, 2940/1.8=12...(40) * HD2 LYS 63 + HG3 LYS 63 OK 96 100 - 96 - 3.0=86, 2940/1.8=12...(40) HD2 LYS 63 - HG3 LYS 61 OK 16 87 - 18 - 2941=3, 2940/1.8=2 HD2 LYS 63 - HG2 LYS 61 OK 15 85 - 18 - 2941=3, 2941/1.8=2 HG3 LYS 77 - HG2 LYS 63 OK 12 71 - 17 - 2902/2.9=3, 2912/2.9=3...(9) HG3 LYS 77 - HG3 LYS 63 OK 12 71 - 17 - 2902/2.9=3, 2912/2.9=3...(9) HG2 LYS 77 - HG2 LYS 63 OK 12 68 - 17 - 2902/2.9=3, 2912/2.9=2...(8) HG2 LYS 77 - HG3 LYS 63 OK 12 68 - 17 - 2902/2.9=3, 2912/2.9=2...(8) QB ALA 76 - HG3 LYS 63 lone 7 99 - 7 - 2902/2.9=1, 2912/2.9=1 QB ALA 76 - HG2 LYS 63 lone 7 99 - 7 - 2902/2.9=1, 2912/2.9=1 QB ALA 76 - HG3 LYS 61 lone 2 85 - 3 - QB ALA 76 - HG2 LYS 61 lone 2 83 - 3 - HG3 LYS 77 - HG3 LYS 61 lone 1 55 - 2 - HG3 LYS 77 - HG2 LYS 61 lone 1 53 - 2 - HG2 LYS 77 - HG3 LYS 61 lone 1 53 - 2 - HG2 LYS 77 - HG2 LYS 61 lone 1 51 - 2 - Peak 2933 from cnoeabs.peaks (1.68, 1.43, 25.09 ppm; 2.70 A): 8 out of 72 assignments used, quality = 1.00: HD3 LYS 63 + HG2 LYS 63 OK 91 100 - 91 - 3.0=77, 1.8/2941=11...(21) * HD3 LYS 63 + HG3 LYS 63 OK 91 100 - 91 - 3.0=77, 1.8/2941=11...(21) HD2 LYS 61 + HG3 LYS 61 OK 76 87 - 88 - 3.0=76, 1.8/2950=2...(28) HD3 LYS 61 + HG3 LYS 61 OK 76 87 - 88 - 3.0=76, 1.8/2950=2...(28) HD3 LYS 61 + HG2 LYS 61 OK 74 85 - 88 - 3.0=76, 2951/1.8=2...(30) HD2 LYS 61 + HG2 LYS 61 OK 74 85 - 88 - 3.0=76, 2951/1.8=2...(30) HB3 LYS 61 + HG3 LYS 61 OK 49 59 - 82 - 3.0=76, 4247/5.0=5...(12) HB3 LYS 61 + HG2 LYS 61 OK 48 58 - 82 - 3.0=76, 4247/5.0=5...(12) HD3 LYS 94 - HG3 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD3 LYS 94 - HG2 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 94 - HG2 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 94 - HG3 LYS 63 OK 30 100 - 31 - 2903/2.9=2, 2913/2.9=2...(6) HD2 LYS 61 - HG3 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG2 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 61 - HG3 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD2 LYS 61 - HG2 LYS 63 OK 18 100 - 18 - 2903/2.9=1, 2913/2.9=1 HD3 LYS 63 - HG3 LYS 61 OK 14 87 - 16 - 1.8/2941=2, ~2941=1...(4) HD3 LYS 63 - HG2 LYS 61 OK 14 85 - 16 - 1.8/2941=2, ~2941=1...(4) HD2 LYS 44 - HG3 LYS 61 OK 11 87 - 13 - HD3 LYS 44 - HG3 LYS 61 OK 11 87 - 13 - HD2 LYS 44 - HG2 LYS 61 OK 11 85 - 13 - HD3 LYS 44 - HG2 LYS 61 OK 11 85 - 13 - HB3 LYS 61 - HG3 LYS 63 poor 10 76 - 13 - 4.4/276=1, 3.0/2759=1, 3.6/868=1 HB3 LYS 61 - HG2 LYS 63 poor 10 76 - 13 - 4.4/276=1, 3.0/2759=1, 3.6/868=1 HD3 LYS 45 - HG2 LYS 63 poor 8 83 - 10 - HD3 LYS 45 - HG3 LYS 63 poor 8 83 - 10 - HD2 LYS 45 - HG3 LYS 63 poor 8 78 - 10 - HD2 LYS 45 - HG2 LYS 63 poor 8 78 - 10 - HD3 LYS 94 - HG3 LYS 61 lone 8 86 - 9 - HD2 LYS 94 - HG3 LYS 61 lone 8 86 - 9 - HD3 LYS 94 - HG2 LYS 61 lone 8 84 - 9 - HD2 LYS 94 - HG2 LYS 61 lone 8 84 - 9 - HD2 LYS 77 - HG3 LYS 63 lone 7 81 - 8 - HD2 LYS 77 - HG2 LYS 63 lone 7 81 - 8 - HD3 LYS 35 - HG3 LYS 61 lone 5 86 - 6 - HD2 LYS 44 - HG2 LYS 63 lone 5 100 - 5 - HD2 LYS 44 - HG3 LYS 63 lone 5 100 - 5 - HD3 LYS 44 - HG2 LYS 63 lone 5 100 - 5 - HD3 LYS 44 - HG3 LYS 63 lone 5 100 - 5 - HD3 LYS 35 - HG2 LYS 61 lone 5 84 - 6 - HD3 LYS 45 - HG3 LYS 61 lone 5 66 - 7 - HD3 LYS 45 - HG2 LYS 61 lone 5 64 - 7 - HD2 LYS 45 - HG3 LYS 61 lone 4 62 - 7 - HD2 LYS 45 - HG2 LYS 61 lone 4 60 - 7 - HG3 ARG 57 - HG2 LYS 63 lone 3 100 - 3 - HG3 ARG 57 - HG3 LYS 63 lone 3 100 - 3 - HG2 ARG 57 - HG3 LYS 63 lone 3 100 - 3 - HG2 ARG 57 - HG2 LYS 63 lone 3 100 - 3 - QB ALA 79 - HG2 LYS 63 lone 3 95 - 3 - QB ALA 79 - HG3 LYS 63 lone 3 95 - 3 - HD3 LYS 35 - HG3 LYS 63 lone 2 100 - 2 - HD3 LYS 35 - HG2 LYS 63 lone 2 100 - 2 - QB ALA 79 - HG3 LYS 61 lone 2 78 - 3 - QB ALA 79 - HG2 LYS 61 lone 2 76 - 3 - HB ILE 40 - HG3 LYS 63 lone 1 100 - 1 - HB ILE 40 - HG2 LYS 63 lone 1 100 - 1 - HD2 LYS 77 - HG3 LYS 61 lone 1 64 - 2 - HD2 LYS 77 - HG2 LYS 61 lone 1 62 - 2 - HG12 ILE 27 - HG3 LYS 63 lone 1 76 - 1 - HG12 ILE 27 - HG2 LYS 63 lone 1 76 - 1 - HB ILE 40 - HG3 LYS 61 lone 1 87 - 1 - HB ILE 40 - HG2 LYS 61 lone 1 85 - 1 - HG3 ARG 57 - HG3 LYS 61 lone 1 87 - 1 - HG2 ARG 57 - HG3 LYS 61 lone 1 87 - 1 - HG2 ARG 57 - HG2 LYS 61 lone 1 85 - 1 - HG3 ARG 57 - HG2 LYS 61 lone 1 85 - 1 - HG12 ILE 39 - HG3 LYS 61 lone 1 80 - 1 - HG12 ILE 39 - HG3 LYS 63 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 63 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 61 lone 1 78 - 1 - HG12 ILE 27 - HG3 LYS 61 lone 0 59 - 1 - HG12 ILE 27 - HG2 LYS 61 lone 0 58 - 1 - Peak 2934 from cnoeabs.peaks (2.98, 1.43, 25.09 ppm; 3.39 A): 6 out of 28 assignments used, quality = 1.00: * HE2 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(59) HE2 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(59) HE3 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(57) HE3 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2940=12...(57) HE3 LYS 61 + HG3 LYS 61 OK 48 55 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 61 + HG2 LYS 61 OK 46 53 - 86 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE3 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE2 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG3 LYS 61 OK 21 87 - 24 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 63 - HG2 LYS 61 OK 21 85 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG2 LYS 61 OK 21 85 - 24 - 3.0/2941=2, ~2941=1, ~2940=1 HE2 LYS 45 - HG3 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG2 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE2 LYS 45 - HG2 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG3 LYS 63 OK 17 90 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 61 - HG2 LYS 63 OK 12 71 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 61 - HG3 LYS 63 OK 12 71 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 94 - HG3 LYS 61 OK 10 87 - 12 - HE3 LYS 94 - HG2 LYS 61 poor 10 85 - 12 - HE2 LYS 94 - HG3 LYS 61 poor 10 87 - 11 - HE2 LYS 94 - HG2 LYS 61 poor 9 85 - 11 - HE2 LYS 45 - HG3 LYS 61 poor 9 73 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 9 73 - 13 - HE2 LYS 45 - HG2 LYS 61 poor 9 71 - 13 - HE3 LYS 45 - HG2 LYS 61 poor 9 71 - 13 - Peak 2935 from cnoeabs.peaks (2.98, 1.43, 25.09 ppm; 3.39 A): 6 out of 28 assignments used, quality = 1.00: HE2 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(59) HE2 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(59) * HE3 LYS 63 + HG3 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(57) HE3 LYS 63 + HG2 LYS 63 OK 98 100 - 98 - 3.5=92, 3.0/2941=12...(57) HE3 LYS 61 + HG3 LYS 61 OK 50 57 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 61 + HG2 LYS 61 OK 48 56 - 87 - 3.9=65, 1.8/2829=5...(42) HE3 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE3 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(12) HE2 LYS 94 - HG2 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 94 - HG3 LYS 63 OK 36 100 - 36 - 2904/2.9=3, 2914/2.9=3...(13) HE2 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG3 LYS 61 OK 21 87 - 25 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 63 - HG2 LYS 61 OK 21 85 - 25 - 3.0/2941=2, ~2941=1, ~2940=1 HE3 LYS 63 - HG2 LYS 61 OK 21 85 - 24 - 3.0/2940=2, ~2941=1, ~2940=1 HE2 LYS 45 - HG3 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG2 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE2 LYS 45 - HG2 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 45 - HG3 LYS 63 OK 18 92 - 19 - 2905/2.9=2, 2915/2.9=1, ~2905=1 HE3 LYS 61 - HG3 LYS 63 OK 13 73 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 61 - HG2 LYS 63 OK 13 73 - 18 - 2905/2.9=1, 1.8/2829=1 HE3 LYS 94 - HG3 LYS 61 OK 10 86 - 12 - HE3 LYS 94 - HG2 LYS 61 poor 10 84 - 12 - HE2 LYS 94 - HG3 LYS 61 poor 10 87 - 11 - HE2 LYS 45 - HG3 LYS 61 poor 10 75 - 13 - HE3 LYS 45 - HG3 LYS 61 poor 10 75 - 13 - HE2 LYS 94 - HG2 LYS 61 poor 9 85 - 11 - HE2 LYS 45 - HG2 LYS 61 poor 9 73 - 13 - HE3 LYS 45 - HG2 LYS 61 poor 9 73 - 13 - Peak 2936 from cnoeabs.peaks (8.00, 1.59, 28.85 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.93: * H LYS 63 + HD2 LYS 63 OK 93 100 - 94 - 5.9=60, 3.0/2937=25...(22) H LYS 86 - HD2 LYS 63 OK 21 93 - 23 - 2906/3.9=5, 2896/3.9=4...(7) H GLY 22 - HD2 LYS 63 OK 19 100 - 20 - 2906/3.9=5, 2896/3.9=5...(6) H PHE 34 - HD2 LYS 63 OK 19 97 - 20 - 2896/3.9=4, 2906/3.9=4...(6) H VAL 30 - HD2 LYS 63 lone 4 71 - 5 - 2906/3.9=1 Peak 2937 from cnoeabs.peaks (4.27, 1.59, 28.85 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.98: * HA LYS 63 + HD2 LYS 63 OK 98 100 - 98 - 5.0=80, 3.0/2912=26...(39) HA3 GLY 85 - HD2 LYS 63 OK 10 99 - 10 - 3.6/2936=4, 6654/3.9=1 HD2 PRO 73 - HD2 LYS 63 OK 10 100 - 10 - 3.6/6305=3, 4.8/7209=2 HA LYS 45 - HD2 LYS 63 poor 8 65 - 12 - HA ALA 79 - HD2 LYS 63 lone 6 100 - 6 - HA GLU 58 - HD2 LYS 63 lone 4 99 - 4 - HA VAL 68 - HD2 LYS 63 lone 3 71 - 4 - Peak 2938 from cnoeabs.peaks (1.88, 1.59, 28.85 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.9=100 Peak 2939 from cnoeabs.peaks (1.53, 1.59, 28.85 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.9=100 Peak 2940 from cnoeabs.peaks (1.43, 1.59, 28.85 ppm; 2.82 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 63 + HD2 LYS 63 OK 96 100 - 96 - 3.0=88, 1.8/2932=11...(40) HG3 LYS 63 + HD2 LYS 63 OK 96 100 - 96 - 3.0=88, 1.8/2932=11...(40) HG3 LYS 94 - HD2 LYS 63 OK 20 99 - 21 - 3890/1.8=2, 3887/3.9=2...(4) HG3 LYS 61 - HD2 LYS 63 OK 17 96 - 18 - 2922=3, 1.8/2922=2 HG2 LYS 61 - HD2 LYS 63 OK 17 95 - 18 - 2932=3, 1.8/2932=2 HD3 LYS 86 - HD2 LYS 63 lone 4 96 - 4 - QG2 THR 67 - HD2 LYS 63 lone 3 85 - 3 - HG13 ILE 51 - HD2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HD2 LYS 63 lone 2 73 - 3 - HG12 ILE 80 - HD2 LYS 63 lone 1 85 - 1 - Peak 2941 from cnoeabs.peaks (1.43, 1.59, 28.85 ppm; 2.82 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 63 + HD2 LYS 63 OK 96 100 - 96 - 3.0=88, 1.8/2932=11...(40) * HG3 LYS 63 + HD2 LYS 63 OK 96 100 - 96 - 3.0=88, 1.8/2932=11...(40) HG3 LYS 94 - HD2 LYS 63 OK 20 99 - 21 - 3890/1.8=2, 3887/3.9=2...(4) HG3 LYS 61 - HD2 LYS 63 OK 17 96 - 18 - 2922=3, 1.8/2922=2 HG2 LYS 61 - HD2 LYS 63 OK 17 95 - 18 - 2932=3, 1.8/2932=2 HD3 LYS 86 - HD2 LYS 63 lone 4 96 - 4 - QG2 THR 67 - HD2 LYS 63 lone 3 85 - 3 - HG13 ILE 51 - HD2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HD2 LYS 63 lone 2 73 - 3 - HG12 ILE 80 - HD2 LYS 63 lone 1 85 - 1 - Peak 2942 from cnoeabs.peaks (1.59, 1.59, 28.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 63 + HD2 LYS 63 OK 100 100 - 100 Peak 2943 from cnoeabs.peaks (1.68, 1.59, 28.85 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 1.8=100 Peak 2944 from cnoeabs.peaks (2.98, 1.59, 28.85 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.0=100 HE3 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2945 from cnoeabs.peaks (2.98, 1.59, 28.85 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.0=100 HE2 LYS 63 + HD2 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2946 from cnoeabs.peaks (8.00, 1.68, 28.85 ppm; 4.92 A): 5 out of 55 assignments used, quality = 1.00: * H LYS 63 + HD3 LYS 63 OK 95 100 - 95 - 5.9=59, 886/1.8=29...(24) H LYS 63 + HD3 LYS 61 OK 59 100 - 59 - 282/4.8=9, 4.6/4250=8...(22) H LYS 63 + HD2 LYS 61 OK 59 100 - 59 - 282/4.8=9, 4.6/4250=8...(22) H LYS 63 + HD2 LYS 94 OK 47 92 - 51 - 285/3.4=5, 887=5...(22) H LYS 63 + HD3 LYS 94 OK 47 92 - 51 - 285/3.4=5, 887=5...(22) H LYS 86 - HD2 LYS 94 OK 34 81 - 42 - 6669/4.7=15, 994/2.9=7...(10) H LYS 86 - HD3 LYS 94 OK 34 81 - 42 - 6669/4.7=15, 994/2.9=7...(10) H LYS 86 - HD3 LYS 63 OK 24 93 - 26 - 2936/1.8=5, 2906/3.9=5...(6) H GLY 22 - HD3 LYS 63 OK 23 100 - 23 - 2906/3.9=5, 2896/3.9=5...(6) H PHE 34 - HD3 LYS 63 OK 22 97 - 22 - 2936/1.8=5, 2896/3.9=4...(6) H VAL 30 - HG12 ILE 27 OK 17 38 - 45 - 1143/3.8=19, 4932/3.2=17...(4) H LYS 63 - HD2 LYS 77 OK 14 52 - 28 - 886/3.0=5, 886/3.0=5...(9) H LYS 63 - HD3 LYS 45 OK 12 56 - 21 - 3.9/2903=2, 3.9/2913=2...(10) H PHE 34 - HD2 LYS 94 OK 12 87 - 13 - 1086/6.1=3, 4.6/731=2 H PHE 34 - HD3 LYS 94 OK 12 87 - 13 - 1086/6.1=3, 4.6/731=2 H LYS 63 - HD2 LYS 45 OK 11 51 - 21 - 3.9/2903=2, 3.9/2913=2...(10) H PHE 34 - HG12 ILE 27 OK 10 59 - 18 - 4932/3.2=6, 4407/3.8=3...(4) H PHE 34 - HD2 LYS 61 poor 10 97 - 10 - 4.6/731=1 H PHE 34 - HD3 LYS 61 poor 10 97 - 10 - 4.6/731=1 H GLY 22 - HD3 LYS 94 poor 10 92 - 11 - 4847/6.1=5 H GLY 22 - HD2 LYS 94 poor 10 92 - 11 - 4847/6.1=5 H LYS 86 - HD2 LYS 61 poor 10 92 - 10 - 997/3.0=2, 997/3.0=2 H LYS 86 - HD3 LYS 61 poor 10 92 - 10 - 997/3.0=2, 997/3.0=2 H LYS 63 - HD2 LYS 44 poor 9 75 - 12 - 887=1 H LYS 63 - HD3 LYS 44 poor 9 75 - 12 - 887=1 H GLY 22 - HG12 ILE 27 poor 7 63 - 11 - 4932/3.2=4, 59/1.8=2...(4) H GLY 22 - HD2 LYS 61 lone 6 100 - 6 - H GLY 22 - HD3 LYS 61 lone 6 100 - 6 - H PHE 34 - HD2 LYS 44 lone 5 69 - 8 - 4.6/731=1 H PHE 34 - HD3 LYS 44 lone 5 69 - 8 - 4.6/731=1 H LYS 86 - HG12 ILE 27 lone 5 54 - 10 - 6668/3.8=4, 4932/3.2=2 H LYS 63 - HG12 ILE 27 lone 5 63 - 7 - 4932/3.2=2 H VAL 30 - HD3 LYS 63 lone 5 71 - 7 - H GLY 22 - HD2 LYS 77 lone 5 52 - 9 - 4827/3.7=2, 656/4.6=2, ~3311=1 H LYS 86 - HD2 LYS 44 lone 4 65 - 6 - H LYS 86 - HD3 LYS 44 lone 4 65 - 6 - H LYS 86 - HD3 LYS 45 lone 3 48 - 7 - 994/2.9=1 H VAL 30 - HD2 LYS 44 lone 3 46 - 7 - 5036/3.0=2, 1141/5.4=1 H VAL 30 - HD2 LYS 61 lone 3 70 - 4 - H VAL 30 - HD3 LYS 61 lone 3 70 - 4 - H VAL 30 - HD3 LYS 44 lone 3 45 - 7 - 5036/3.0=2, 1141/5.4=1 H LYS 86 - HD2 LYS 45 lone 3 43 - 6 - 994/2.9=1 H GLY 22 - HD2 LYS 44 lone 2 75 - 3 - H GLY 22 - HD3 LYS 44 lone 2 75 - 3 - H VAL 30 - HD3 LYS 94 lone 2 59 - 4 - H VAL 30 - HD2 LYS 94 lone 2 59 - 4 - H PHE 34 - HD2 LYS 77 lone 2 48 - 4 - H GLY 22 - HD3 LYS 45 lone 2 56 - 3 - H GLY 22 - HD2 LYS 45 lone 2 51 - 3 - H PHE 34 - HD3 LYS 45 lone 2 52 - 3 - H PHE 34 - HD2 LYS 45 lone 1 47 - 3 - H VAL 30 - HD3 LYS 45 lone 1 33 - 4 - 1144/6.3=2 H LYS 86 - HD2 LYS 77 lone 1 44 - 3 - H VAL 30 - HD2 LYS 45 lone 1 29 - 4 - 1144/6.3=2 H VAL 30 - HD2 LYS 77 lone 1 30 - 4 - 7153/3.7=1 Peak 2947 from cnoeabs.peaks (4.27, 1.68, 28.85 ppm; 4.31 A): 3 out of 77 assignments used, quality = 0.99: * HA LYS 63 + HD3 LYS 63 OK 95 100 - 95 - 5.0=63, 2937/1.8=24...(29) HA LYS 63 + HD3 LYS 94 OK 50 92 - 55 - 2893=5, 3.0/2903=5...(28) HA LYS 63 + HD2 LYS 94 OK 50 92 - 55 - 2893=5, 3.0/2903=5...(28) HA LYS 63 - HD2 LYS 61 OK 44 100 - 45 - 2893=4, 2893/1.8=3...(17) HA LYS 63 - HD3 LYS 61 OK 44 100 - 45 - 2893=4, 2893/1.8=3...(17) HA3 GLY 85 - HD3 LYS 94 OK 29 88 - 32 - 6644/4.7=9, ~7130=6...(7) HA3 GLY 85 - HD2 LYS 94 OK 29 88 - 32 - 6644/4.7=9, ~7130=6...(7) HA LYS 45 - HD3 LYS 45 OK 27 30 - 90 - 5.1=59, ~790=10...(35) HA LYS 45 - HD2 LYS 45 OK 24 27 - 90 - 5.1=59, ~790=10...(35) HA LYS 45 - HD2 LYS 61 OK 18 64 - 28 - 3.0/193=2, ~791=2...(11) HA LYS 45 - HD3 LYS 61 OK 18 64 - 28 - 3.0/193=2, ~791=2...(11) HA LYS 45 - HD2 LYS 44 OK 15 42 - 37 - ~192=10, 3.0/193=4...(13) HA LYS 45 - HD3 LYS 44 OK 15 42 - 37 - ~192=10, 3.0/193=4...(13) HA LYS 63 - HD3 LYS 45 OK 14 56 - 24 - 2893=2, 2895/3.0=2...(12) HA LYS 63 - HD2 LYS 77 OK 14 52 - 26 - 2892/3.0=5, 2892/3.0=5...(11) HA LYS 63 - HD2 LYS 45 OK 13 51 - 25 - 2893=2, 2895/3.0=2...(12) HA ALA 79 - HG12 ILE 27 poor 10 63 - 15 - ~6475=3, 6478/1.8=3...(6) HA3 GLY 85 - HD3 LYS 63 lone 9 99 - 9 - 2937/1.8=3, 6654/3.9=1 HA ALA 79 - HD2 LYS 61 lone 9 100 - 9 - 3.0/953=1 HA ALA 79 - HD3 LYS 61 lone 9 100 - 9 - 3.0/953=1 HA LYS 45 - HD3 LYS 94 poor 8 55 - 15 - 3.0/193=1, ~790=1 HA LYS 45 - HD2 LYS 94 poor 8 55 - 15 - 3.0/193=1, ~790=1 HA LYS 63 - HD2 LYS 44 lone 7 75 - 9 - 2893=1 HA LYS 63 - HD3 LYS 44 lone 7 75 - 9 - 2893=1 HA ALA 79 - HD3 LYS 63 lone 7 100 - 7 - 2937/1.8=2 HA LYS 45 - HD3 LYS 63 lone 7 65 - 10 - 2937/1.8=2 HA VAL 68 - HG12 ILE 27 poor 6 38 - 16 - ~6136=3, ~6127=3...(7) HD2 PRO 73 - HD3 LYS 63 lone 6 100 - 6 - 2937/1.8=3 HA ALA 79 - HD3 LYS 94 lone 5 91 - 6 - HA ALA 79 - HD2 LYS 94 lone 5 91 - 6 - HA ALA 79 - HD2 LYS 44 lone 4 74 - 6 - HA ALA 79 - HD3 LYS 44 lone 4 74 - 6 - HA3 GLY 85 - HD2 LYS 44 lone 4 71 - 5 - 6654/3.8=1, 6654/3.8=1 HA GLU 58 - HD3 LYS 63 lone 4 99 - 4 - HA3 GLY 85 - HD3 LYS 44 lone 4 71 - 5 - 6654/3.8=1, 6654/3.8=1 HA GLU 58 - HD2 LYS 61 lone 4 99 - 4 - HA GLU 58 - HD3 LYS 61 lone 4 99 - 4 - HA GLU 58 - HD3 LYS 94 lone 4 90 - 4 - HA GLU 58 - HD2 LYS 94 lone 4 90 - 4 - HA3 GLY 85 - HD3 LYS 61 lone 3 98 - 3 - HA3 GLY 85 - HD2 LYS 61 lone 3 98 - 3 - HA ALA 79 - HD2 LYS 77 lone 3 52 - 6 - ~6472=1, 4484/3.0=1, 3.6/956=1 HA3 GLY 85 - HD3 LYS 45 lone 3 53 - 6 - ~6652=1, 6655/2.9=1, ~6648=1 HA VAL 68 - HD3 LYS 63 lone 3 71 - 4 - HA GLU 58 - HD2 LYS 77 lone 3 51 - 6 - ~5898=2, 3.0/254=1 HA3 GLY 85 - HD2 LYS 45 lone 3 48 - 6 - ~6652=1, 6655/2.9=1, ~6648=1 HA LYS 63 - HG12 ILE 27 lone 2 63 - 4 - HA VAL 68 - HD3 LYS 94 lone 2 59 - 4 - HA VAL 68 - HD2 LYS 94 lone 2 59 - 4 - HA GLU 58 - HG12 ILE 27 lone 2 62 - 3 - ~4935=1 HD2 PRO 73 - HD3 LYS 61 lone 2 99 - 2 - HD2 PRO 73 - HD2 LYS 61 lone 2 99 - 2 - HA ALA 79 - HD3 LYS 45 lone 2 56 - 4 - HA ALA 79 - HD2 LYS 45 lone 2 50 - 4 - HA VAL 68 - HD3 LYS 61 lone 2 70 - 2 - HA VAL 68 - HD2 LYS 61 lone 2 70 - 2 - HA GLU 58 - HD2 LYS 44 lone 2 73 - 2 - HA GLU 58 - HD3 LYS 44 lone 2 73 - 2 - HA3 GLY 85 - HG12 ILE 27 lone 2 60 - 3 - HA LYS 45 - HG12 ILE 27 lone 2 34 - 5 - ~5546=1 HD2 PRO 73 - HD2 LYS 94 lone 1 91 - 2 - HD2 PRO 73 - HD3 LYS 94 lone 1 91 - 2 - HD2 PRO 73 - HG12 ILE 27 lone 1 63 - 2 - HA VAL 68 - HD2 LYS 44 lone 1 46 - 2 - HA VAL 68 - HD3 LYS 44 lone 1 45 - 2 - HD2 PRO 73 - HD2 LYS 44 lone 1 74 - 1 - HD2 PRO 73 - HD3 LYS 44 lone 1 74 - 1 - HD2 PRO 73 - HD3 LYS 45 lone 1 55 - 2 - HA LYS 45 - HD2 LYS 77 lone 1 28 - 4 - HA GLU 58 - HD3 LYS 45 lone 1 55 - 2 - HA3 GLY 85 - HD2 LYS 77 lone 1 50 - 2 - HD2 PRO 73 - HD2 LYS 45 lone 1 50 - 2 - HA GLU 58 - HD2 LYS 45 lone 1 49 - 2 - HD2 PRO 73 - HD2 LYS 77 lone 1 52 - 1 - HA VAL 68 - HD3 LYS 45 lone 0 33 - 1 - HA VAL 68 - HD2 LYS 77 lone 0 30 - 1 - HA VAL 68 - HD2 LYS 45 lone 0 29 - 1 - Peak 2948 from cnoeabs.peaks (1.88, 1.68, 28.85 ppm; 2.94 A): 2 out of 2 assignments used, quality = 0.74: HB ILE 27 + HG12 ILE 27 OK 53 53 - 100 - 2.8=100 HD3 LYS 77 + HD2 LYS 77 OK 44 44 - 100 - 1.8=100 Reference assignment not found: HB2 LYS 63 - HD3 LYS 63 Peak 2949 from cnoeabs.peaks (1.53, 1.68, 28.85 ppm; 2.44 A): 5 out of 110 assignments used, quality = 0.99: HB3 LYS 94 + HD3 LYS 94 OK 63 88 - 71 - 3.4=35, 3887/2.9=12...(29) HB3 LYS 94 + HD2 LYS 94 OK 63 88 - 71 - 3.4=35, 3887/2.9=12...(29) * HB3 LYS 63 + HD3 LYS 63 OK 61 100 - 61 - 3.9=24, 2912/1.8=9...(22) HG2 LYS 94 + HD2 LYS 94 OK 51 64 - 79 - 2.9=59, 1.8/3890=8...(18) HG2 LYS 94 + HD3 LYS 94 OK 51 64 - 79 - 2.9=59, 1.8/3890=8...(18) HG2 LYS 45 - HD3 LYS 45 OK 36 48 - 74 - 2.9=58, 2284/1.8=8...(23) HG3 LYS 44 - HD2 LYS 44 OK 33 46 - 73 - 3.0=56, 1.8/2198=8...(14) HG3 LYS 44 - HD3 LYS 44 OK 33 45 - 73 - 3.0=56, 1.8/2198=8...(14) HG2 LYS 45 - HD2 LYS 45 OK 32 43 - 74 - 2.9=58, 2284/1.8=8...(23) HB3 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 94 - HD3 LYS 63 OK 17 99 - 18 - 3871=2, 2.9/3890=1...(4) HB3 LYS 94 - HD3 LYS 61 OK 14 98 - 14 - 3871=1, 3871/1.8=1 HB3 LYS 94 - HD2 LYS 61 OK 14 98 - 14 - 3870=1, 3871/1.8=1 HB3 LYS 63 - HD2 LYS 61 OK 13 100 - 14 - 1.8/2903=1, 2913=1, 2913/1.8=1 HB3 LYS 63 - HD3 LYS 61 OK 13 100 - 14 - 1.8/2903=1, 2913=1, 2913/1.8=1 HG2 LYS 94 - HD3 LYS 63 OK 12 76 - 16 - 1.8/3890=2, 3881=1, 2.9/3871=1 HG LEU 53 - HG12 ILE 27 OK 12 29 - 39 - ~4980=6, ~4975=6...(14) HB3 LEU 62 - HD3 LYS 61 OK 10 100 - 11 - 3.6/278=2 HB3 LEU 62 - HD2 LYS 61 OK 10 100 - 11 - 3.6/278=2 HG3 LYS 44 - HD3 LYS 61 poor 10 70 - 14 - 1.8/2198=2, 2207=1 HG3 LYS 44 - HD2 LYS 61 poor 10 70 - 14 - 1.8/2198=2, 2207=1 HG2 LYS 94 - HD3 LYS 61 poor 9 75 - 12 - 1.8/3890=1, 3880=1 HG2 LYS 94 - HD2 LYS 61 poor 9 75 - 12 - 1.8/3890=1, 3880=1 HB3 LEU 62 - HD3 LYS 63 lone 9 100 - 9 - 5950/5.0=2, 4256/5.9=2 HG2 LYS 45 - HD2 LYS 61 lone 7 92 - 8 - HG2 LYS 45 - HD3 LYS 61 lone 7 92 - 8 - HG2 LYS 45 - HD3 LYS 94 lone 7 81 - 9 - HG2 LYS 45 - HD2 LYS 94 lone 7 81 - 9 - HB3 LEU 62 - HD2 LYS 94 lone 7 91 - 7 - HB3 LEU 62 - HD3 LYS 94 lone 7 91 - 7 - HG13 ILE 93 - HD2 LYS 94 lone 7 88 - 8 - 3875/4.7=1 HG13 ILE 93 - HD3 LYS 94 lone 7 88 - 8 - 3875/4.7=1 HB3 LYS 94 - HD3 LYS 45 poor 6 53 - 12 - 3868/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 6 83 - 7 - 3606/2.9=2, 3887/2.9=1 HD2 LYS 86 - HD2 LYS 94 lone 6 83 - 7 - 3606/2.9=2, 3887/2.9=1 HB3 LYS 94 - HD2 LYS 45 poor 6 48 - 12 - 3868/2.9=1 HG2 LYS 45 - HD2 LYS 44 lone 6 65 - 9 - HG2 LYS 45 - HD3 LYS 44 lone 6 65 - 9 - 2284=1 HB3 LYS 94 - HD2 LYS 44 lone 5 71 - 7 - HB3 LYS 94 - HD3 LYS 44 lone 5 71 - 7 - HB3 LYS 63 - HD2 LYS 77 lone 5 52 - 9 - 2912/3.0=2, 2912/3.0=2...(4) HB3 LYS 63 - HD3 LYS 45 lone 5 56 - 8 - HB3 LYS 63 - HD2 LYS 45 lone 4 51 - 8 - HG2 LYS 94 - HD3 LYS 45 poor 4 36 - 11 - HG3 LYS 44 - HD2 LYS 94 lone 4 59 - 6 - HG3 LYS 44 - HD3 LYS 94 lone 4 59 - 6 - HG2 LYS 94 - HD2 LYS 44 lone 3 49 - 7 - HG2 LYS 94 - HD3 LYS 44 lone 3 49 - 7 - HG2 LYS 94 - HD2 LYS 45 poor 3 32 - 11 - HG3 LYS 41 - HD3 LYS 61 lone 3 79 - 4 - HG3 LYS 41 - HD2 LYS 61 lone 3 79 - 4 - HG3 LYS 44 - HD3 LYS 45 lone 3 33 - 9 - 1.8/2199=1 HG3 LYS 44 - HD2 LYS 45 lone 3 29 - 9 - 1.8/2199=1 HD2 LYS 86 - HD3 LYS 63 lone 3 95 - 3 - HG2 LYS 45 - HD3 LYS 63 lone 3 93 - 3 - HB3 LYS 63 - HD2 LYS 44 lone 2 75 - 3 - HB3 LYS 63 - HD3 LYS 44 lone 2 75 - 3 - HG3 LYS 41 - HD3 LYS 94 lone 2 69 - 3 - HG3 LYS 41 - HD2 LYS 94 lone 2 69 - 3 - HD2 LYS 86 - HD2 LYS 61 lone 2 93 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 2 93 - 2 - HG13 ILE 93 - HG12 ILE 27 lone 2 60 - 3 - HG3 LYS 44 - HG12 ILE 27 lone 1 38 - 4 - HG13 ILE 93 - HD3 LYS 63 lone 1 99 - 1 - HG3 LYS 41 - HD3 LYS 45 lone 1 39 - 3 - HB3 LEU 62 - HD3 LYS 45 lone 1 56 - 2 - HD2 LYS 86 - HD2 LYS 44 lone 1 66 - 2 - HD2 LYS 86 - HD3 LYS 44 lone 1 66 - 2 - HG3 LYS 41 - HD2 LYS 45 lone 1 35 - 3 - HB3 LEU 62 - HD2 LYS 45 lone 1 50 - 2 - HB3 LEU 62 - HD2 LYS 44 lone 1 74 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 74 - 1 - HG3 LYS 44 - HD3 LYS 63 lone 1 71 - 1 - HG3 LYS 41 - HD2 LYS 44 lone 1 53 - 2 - HG3 LYS 41 - HD3 LYS 44 lone 1 53 - 2 - HD2 LYS 86 - HG12 ILE 27 lone 1 55 - 2 - HG13 ILE 93 - HD3 LYS 61 lone 1 98 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 1 98 - 1 - HB3 LYS 94 - HG12 ILE 27 lone 1 60 - 1 - HD2 LYS 86 - HD3 LYS 45 lone 1 49 - 1 - HG LEU 53 - HD3 LYS 94 lone 1 47 - 1 - HG LEU 53 - HD2 LYS 94 lone 1 47 - 1 - HG3 LYS 41 - HG12 ILE 27 lone 1 44 - 1 - HD2 LYS 86 - HD2 LYS 45 lone 0 44 - 1 - HG3 LYS 41 - HD3 LYS 63 lone 0 81 - 0 - HB3 LEU 62 - HD2 LYS 77 lone 0 52 - 1 - HG2 LYS 94 - HG12 ILE 27 lone 0 41 - 1 - HB3 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HG13 ILE 93 - HD2 LYS 44 lone 0 71 - 1 - HG13 ILE 93 - HD3 LYS 44 lone 0 71 - 1 - HB3 LYS 94 - HD2 LYS 77 lone 0 50 - 1 - HB3 LEU 62 - HG12 ILE 27 lone 0 63 - 0 - HG2 LYS 45 - HD2 LYS 77 lone 0 44 - 1 - HG13 ILE 93 - HD3 LYS 45 lone 0 53 - 1 - HG3 LYS 44 - HD2 LYS 77 lone 0 30 - 1 - HG2 LYS 45 - HG12 ILE 27 lone 0 54 - 0 - HG13 ILE 93 - HD2 LYS 45 lone 0 48 - 1 - HG LEU 53 - HD2 LYS 61 lone 0 56 - 0 - HG LEU 53 - HD3 LYS 61 lone 0 56 - 0 - HG LEU 53 - HD3 LYS 63 lone 0 57 - 0 - HG3 LYS 41 - HD2 LYS 77 lone 0 36 - 1 - HG2 LYS 94 - HD2 LYS 77 lone 0 33 - 0 - HG LEU 53 - HD2 LYS 77 lone 0 24 - 1 - HD2 LYS 86 - HD2 LYS 77 lone 0 45 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 50 - 0 - HG LEU 53 - HD2 LYS 44 lone 0 36 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 36 - 0 - HG LEU 53 - HD3 LYS 45 lone 0 26 - 0 - HG LEU 53 - HD2 LYS 45 lone 0 23 - 0 - Peak 2950 from cnoeabs.peaks (1.43, 1.68, 28.85 ppm; 2.48 A): 8 out of 110 assignments used, quality = 1.00: * HG2 LYS 63 + HD3 LYS 63 OK 80 100 - 80 - 3.0=59, 2940/1.8=9...(14) HG3 LYS 63 + HD3 LYS 63 OK 80 100 - 80 - 3.0=59, 2940/1.8=9...(14) HG3 LYS 94 + HD3 LYS 94 OK 72 88 - 81 - 2.9=62, 3887/3.4=10...(20) HG3 LYS 94 + HD2 LYS 94 OK 72 88 - 81 - 2.9=62, 3887/3.4=10...(20) HG3 LYS 61 + HD2 LYS 61 OK 71 95 - 75 - 3.0=59, 2797/1.8=2...(22) HG3 LYS 61 + HD3 LYS 61 OK 71 95 - 75 - 3.0=59, 2797/1.8=2...(22) HG2 LYS 61 + HD2 LYS 61 OK 70 93 - 75 - 3.0=59, 2797/1.8=2...(24) HG2 LYS 61 + HD3 LYS 61 OK 70 93 - 75 - 3.0=59, 2797/1.8=2...(24) HG3 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2933=1 HG3 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2933=1 HG3 LYS 94 - HD3 LYS 63 OK 16 99 - 16 - 3890=2, 2941/1.8=2...(5) HG13 ILE 51 - HG12 ILE 27 OK 15 63 - 24 - 2.1/5746=3, ~5748=2...(15) HG2 LYS 63 - HD2 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG2 LYS 63 - HD3 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG3 LYS 63 - HD3 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG3 LYS 63 - HD2 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HB ILE 51 - HG12 ILE 27 OK 13 39 - 33 - 5748/3.2=5, 5748/2.1=5...(14) HG3 LYS 94 - HD2 LYS 61 OK 13 98 - 13 - 3891=2, 3890/1.8=1, 1.8/3881=1 HG3 LYS 94 - HD3 LYS 61 OK 13 98 - 13 - 3890=2, 3890/1.8=1, 1.8/3881=1 HG3 LYS 61 - HD3 LYS 63 OK 13 96 - 13 - 2940/1.8=2 HG2 LYS 61 - HD3 LYS 63 OK 12 95 - 13 - 2940/1.8=2 HG3 LYS 61 - HD2 LYS 44 poor 7 67 - 11 - HG3 LYS 61 - HD3 LYS 44 poor 7 67 - 11 - HG2 LYS 61 - HD2 LYS 44 poor 7 66 - 11 - HG2 LYS 61 - HD3 LYS 44 poor 7 66 - 11 - HG3 LYS 61 - HD3 LYS 94 lone 7 84 - 8 - HG3 LYS 61 - HD2 LYS 94 lone 7 84 - 8 - HG2 LYS 61 - HD2 LYS 94 lone 6 83 - 8 - HG2 LYS 61 - HD3 LYS 94 lone 6 83 - 8 - HD3 LYS 86 - HD2 LYS 94 lone 6 84 - 7 - 3616/2.9=1 HD3 LYS 86 - HD3 LYS 94 lone 6 84 - 7 - 3616/2.9=1 HG3 LYS 94 - HD3 LYS 45 poor 6 53 - 11 - 3891=1 HG3 LYS 94 - HD2 LYS 44 lone 6 71 - 8 - 3890=1 HG3 LYS 94 - HD3 LYS 44 lone 6 71 - 8 - HG12 ILE 80 - HD2 LYS 77 poor 5 38 - 14 - ~6426=4, 6520/4.6=2...(7) HG3 LYS 94 - HD2 LYS 45 poor 5 48 - 11 - 3891=1 HG3 LYS 63 - HD3 LYS 45 lone 5 56 - 8 - HG2 LYS 63 - HD3 LYS 45 lone 5 56 - 8 - QG2 THR 67 - HG12 ILE 27 lone 4 47 - 9 - 6092/1.8=3, ~6094=2, 6101/2.1=2 HG3 LYS 63 - HD2 LYS 45 lone 4 51 - 8 - HG2 LYS 63 - HD2 LYS 45 lone 4 51 - 8 - HG13 ILE 51 - HD2 LYS 94 lone 4 92 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 92 - 4 - HG3 LYS 63 - HD2 LYS 77 lone 3 52 - 7 - HG2 LYS 63 - HD2 LYS 77 lone 3 52 - 7 - HG3 LYS 63 - HD2 LYS 44 lone 3 75 - 3 - HG2 LYS 63 - HD2 LYS 44 lone 3 75 - 3 - HG2 LYS 63 - HD3 LYS 44 lone 3 75 - 3 - HG3 LYS 63 - HD3 LYS 44 lone 3 75 - 3 - HG3 LYS 61 - HD3 LYS 45 lone 3 50 - 5 - HG12 ILE 80 - HG12 ILE 27 lone 3 47 - 5 - 6503/2.1=1 HG2 LYS 61 - HD3 LYS 45 lone 3 49 - 5 - HD3 LYS 86 - HD3 LYS 63 lone 2 96 - 2 - HG13 ILE 51 - HD3 LYS 63 lone 2 100 - 2 - HG3 LYS 61 - HD2 LYS 45 lone 2 45 - 5 - HD3 LYS 86 - HD3 LYS 61 lone 2 95 - 2 - HD3 LYS 86 - HD2 LYS 61 lone 2 95 - 2 - HG2 LYS 61 - HD2 LYS 45 lone 2 44 - 5 - HB ILE 51 - HD2 LYS 94 lone 2 62 - 3 - HB ILE 51 - HD3 LYS 94 lone 2 62 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 75 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 75 - 3 - HB ILE 51 - HD3 LYS 63 lone 2 73 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 1 100 - 1 - HG13 ILE 51 - HD2 LYS 61 lone 1 100 - 1 - QG2 THR 67 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HD2 LYS 44 lone 1 67 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 1 67 - 2 - HB ILE 51 - HD2 LYS 44 lone 1 47 - 2 - HB ILE 51 - HD3 LYS 44 lone 1 47 - 2 - HD3 LYS 86 - HG12 ILE 27 lone 1 57 - 2 - HG12 ILE 80 - HD3 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HD3 LYS 94 lone 1 73 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 73 - 1 - HB ILE 51 - HD3 LYS 61 lone 1 72 - 1 - HB ILE 51 - HD2 LYS 61 lone 1 72 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 84 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 84 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 60 - 1 - HD3 LYS 86 - HD3 LYS 45 lone 1 50 - 1 - QG2 THR 67 - HD2 LYS 94 lone 1 73 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 73 - 1 - HD3 LYS 86 - HD2 LYS 45 lone 1 45 - 1 - HG13 ILE 51 - HD2 LYS 77 lone 1 52 - 1 - HG3 LYS 61 - HD2 LYS 77 lone 1 46 - 1 - HG2 LYS 61 - HD2 LYS 77 lone 1 45 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 84 - 0 - HG12 ILE 80 - HD2 LYS 61 lone 0 84 - 0 - HG13 ILE 51 - HD3 LYS 45 lone 0 56 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 0 57 - 1 - HG12 ILE 80 - HD3 LYS 44 lone 0 57 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 51 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 50 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 0 41 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 57 - 0 - HG12 ILE 80 - HD2 LYS 45 lone 0 37 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 55 - 0 - HD3 LYS 86 - HD2 LYS 77 lone 0 46 - 1 - QG2 THR 67 - HD2 LYS 44 lone 0 57 - 0 - QG2 THR 67 - HD3 LYS 44 lone 0 57 - 0 - HB ILE 51 - HD2 LYS 77 lone 0 32 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 38 - 1 - HB ILE 51 - HD3 LYS 45 lone 0 34 - 1 - HB ILE 51 - HD2 LYS 45 lone 0 31 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 41 - 0 - QG2 THR 67 - HD2 LYS 45 lone 0 37 - 0 - Peak 2951 from cnoeabs.peaks (1.43, 1.68, 28.85 ppm; 2.48 A): 8 out of 110 assignments used, quality = 1.00: HG2 LYS 63 + HD3 LYS 63 OK 80 100 - 80 - 3.0=59, 2940/1.8=9...(14) * HG3 LYS 63 + HD3 LYS 63 OK 80 100 - 80 - 3.0=59, 2940/1.8=9...(14) HG3 LYS 94 + HD3 LYS 94 OK 72 88 - 81 - 2.9=62, 3887/3.4=10...(20) HG3 LYS 94 + HD2 LYS 94 OK 72 88 - 81 - 2.9=62, 3887/3.4=10...(20) HG3 LYS 61 + HD2 LYS 61 OK 71 95 - 75 - 3.0=59, 2797/1.8=2...(22) HG3 LYS 61 + HD3 LYS 61 OK 71 95 - 75 - 3.0=59, 2797/1.8=2...(22) HG2 LYS 61 + HD2 LYS 61 OK 70 93 - 75 - 3.0=59, 2797/1.8=2...(24) HG2 LYS 61 + HD3 LYS 61 OK 70 93 - 75 - 3.0=59, 2797/1.8=2...(24) HG3 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2933=1 HG3 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 2.9/2903=1, 2.9/2913=1, 2933=1 HG3 LYS 94 - HD3 LYS 63 OK 16 99 - 16 - 3890=2, 2941/1.8=2...(5) HG13 ILE 51 - HG12 ILE 27 OK 15 63 - 24 - 2.1/5746=3, ~5748=2...(15) HG2 LYS 63 - HD2 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG2 LYS 63 - HD3 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG3 LYS 63 - HD3 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HG3 LYS 63 - HD2 LYS 61 OK 14 100 - 14 - 2.9/2903=1 HB ILE 51 - HG12 ILE 27 OK 13 39 - 33 - 5748/3.2=5, 5748/2.1=5...(14) HG3 LYS 94 - HD2 LYS 61 OK 13 98 - 13 - 3891=2, 3890/1.8=1, 1.8/3881=1 HG3 LYS 94 - HD3 LYS 61 OK 13 98 - 13 - 3890=2, 3890/1.8=1, 1.8/3881=1 HG3 LYS 61 - HD3 LYS 63 OK 13 96 - 13 - 2940/1.8=2 HG2 LYS 61 - HD3 LYS 63 OK 12 95 - 13 - 2940/1.8=2 HG3 LYS 61 - HD2 LYS 44 poor 7 67 - 11 - HG3 LYS 61 - HD3 LYS 44 poor 7 67 - 11 - HG2 LYS 61 - HD2 LYS 44 poor 7 66 - 11 - HG2 LYS 61 - HD3 LYS 44 poor 7 66 - 11 - HG3 LYS 61 - HD3 LYS 94 lone 7 84 - 8 - HG3 LYS 61 - HD2 LYS 94 lone 7 84 - 8 - HG2 LYS 61 - HD2 LYS 94 lone 6 83 - 8 - HG2 LYS 61 - HD3 LYS 94 lone 6 83 - 8 - HD3 LYS 86 - HD2 LYS 94 lone 6 84 - 7 - 3616/2.9=1 HD3 LYS 86 - HD3 LYS 94 lone 6 84 - 7 - 3616/2.9=1 HG3 LYS 94 - HD3 LYS 45 poor 6 53 - 11 - 3891=1 HG3 LYS 94 - HD2 LYS 44 lone 6 71 - 8 - 3890=1 HG3 LYS 94 - HD3 LYS 44 lone 6 71 - 8 - HG12 ILE 80 - HD2 LYS 77 poor 5 38 - 14 - ~6426=4, 6520/4.6=2...(7) HG3 LYS 94 - HD2 LYS 45 poor 5 48 - 11 - 3891=1 HG3 LYS 63 - HD3 LYS 45 lone 5 56 - 8 - HG2 LYS 63 - HD3 LYS 45 lone 5 56 - 8 - QG2 THR 67 - HG12 ILE 27 lone 4 47 - 9 - 6092/1.8=3, ~6094=2, 6101/2.1=2 HG3 LYS 63 - HD2 LYS 45 lone 4 51 - 8 - HG2 LYS 63 - HD2 LYS 45 lone 4 51 - 8 - HG13 ILE 51 - HD2 LYS 94 lone 4 92 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 92 - 4 - HG3 LYS 63 - HD2 LYS 77 lone 3 52 - 7 - HG2 LYS 63 - HD2 LYS 77 lone 3 52 - 7 - HG3 LYS 63 - HD2 LYS 44 lone 3 75 - 3 - HG2 LYS 63 - HD2 LYS 44 lone 3 75 - 3 - HG2 LYS 63 - HD3 LYS 44 lone 3 75 - 3 - HG3 LYS 63 - HD3 LYS 44 lone 3 75 - 3 - HG3 LYS 61 - HD3 LYS 45 lone 3 50 - 5 - HG12 ILE 80 - HG12 ILE 27 lone 3 47 - 5 - 6503/2.1=1 HG2 LYS 61 - HD3 LYS 45 lone 3 49 - 5 - HD3 LYS 86 - HD3 LYS 63 lone 2 96 - 2 - HG13 ILE 51 - HD3 LYS 63 lone 2 100 - 2 - HG3 LYS 61 - HD2 LYS 45 lone 2 45 - 5 - HD3 LYS 86 - HD3 LYS 61 lone 2 95 - 2 - HD3 LYS 86 - HD2 LYS 61 lone 2 95 - 2 - HG2 LYS 61 - HD2 LYS 45 lone 2 44 - 5 - HB ILE 51 - HD2 LYS 94 lone 2 62 - 3 - HB ILE 51 - HD3 LYS 94 lone 2 62 - 3 - HG13 ILE 51 - HD2 LYS 44 lone 2 75 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 75 - 3 - HB ILE 51 - HD3 LYS 63 lone 2 73 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 1 100 - 1 - HG13 ILE 51 - HD2 LYS 61 lone 1 100 - 1 - QG2 THR 67 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HD2 LYS 44 lone 1 67 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 1 67 - 2 - HB ILE 51 - HD2 LYS 44 lone 1 47 - 2 - HB ILE 51 - HD3 LYS 44 lone 1 47 - 2 - HD3 LYS 86 - HG12 ILE 27 lone 1 57 - 2 - HG12 ILE 80 - HD3 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HD3 LYS 94 lone 1 73 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 73 - 1 - HB ILE 51 - HD3 LYS 61 lone 1 72 - 1 - HB ILE 51 - HD2 LYS 61 lone 1 72 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 84 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 84 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 60 - 1 - HD3 LYS 86 - HD3 LYS 45 lone 1 50 - 1 - QG2 THR 67 - HD2 LYS 94 lone 1 73 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 73 - 1 - HD3 LYS 86 - HD2 LYS 45 lone 1 45 - 1 - HG13 ILE 51 - HD2 LYS 77 lone 1 52 - 1 - HG3 LYS 61 - HD2 LYS 77 lone 1 46 - 1 - HG2 LYS 61 - HD2 LYS 77 lone 1 45 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 84 - 0 - HG12 ILE 80 - HD2 LYS 61 lone 0 84 - 0 - HG13 ILE 51 - HD3 LYS 45 lone 0 56 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 0 57 - 1 - HG12 ILE 80 - HD3 LYS 44 lone 0 57 - 1 - HG13 ILE 51 - HD2 LYS 45 lone 0 51 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 50 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 0 41 - 1 - HG3 LYS 61 - HG12 ILE 27 lone 0 57 - 0 - HG12 ILE 80 - HD2 LYS 45 lone 0 37 - 1 - HG2 LYS 61 - HG12 ILE 27 lone 0 55 - 0 - HD3 LYS 86 - HD2 LYS 77 lone 0 46 - 1 - QG2 THR 67 - HD2 LYS 44 lone 0 57 - 0 - QG2 THR 67 - HD3 LYS 44 lone 0 57 - 0 - HB ILE 51 - HD2 LYS 77 lone 0 32 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 38 - 1 - HB ILE 51 - HD3 LYS 45 lone 0 34 - 1 - HB ILE 51 - HD2 LYS 45 lone 0 31 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 41 - 0 - QG2 THR 67 - HD2 LYS 45 lone 0 37 - 0 - Peak 2952 from cnoeabs.peaks (1.59, 1.68, 28.85 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 63 + HD3 LYS 63 OK 100 100 - 100 - 1.8=100 Peak 2953 from cnoeabs.peaks (1.68, 1.68, 28.85 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: * HD3 LYS 63 + HD3 LYS 63 OK 100 100 - 100 HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 91 91 - 100 HD3 LYS 94 + HD3 LYS 94 OK 91 91 - 100 HD2 LYS 44 + HD2 LYS 44 OK 75 75 - 100 HD3 LYS 44 + HD3 LYS 44 OK 75 75 - 100 HG12 ILE 27 - HG12 ILE 27 OK 41 41 - 100 HD3 LYS 45 - HD3 LYS 45 OK 40 40 - 100 HD2 LYS 77 - HD2 LYS 77 OK 36 36 - 100 HD2 LYS 45 - HD2 LYS 45 OK 33 33 - 100 Peak 2954 from cnoeabs.peaks (2.98, 1.68, 28.85 ppm; 2.70 A): 8 out of 77 assignments used, quality = 1.00: * HE2 LYS 63 + HD3 LYS 63 OK 84 100 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 63 + HD3 LYS 63 OK 84 100 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 94 + HD3 LYS 94 OK 79 92 - 87 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 94 + HD2 LYS 94 OK 79 92 - 87 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD2 LYS 94 OK 79 92 - 86 - 3.0=76, 3.7/3890=5...(19) HE2 LYS 94 + HD3 LYS 94 OK 79 92 - 86 - 3.0=76, 3.7/3890=5...(19) HE3 LYS 61 + HD2 LYS 61 OK 59 70 - 85 - 2.9=78, 1.8/2831=3...(17) HE3 LYS 61 + HD3 LYS 61 OK 59 70 - 85 - 2.9=78, 1.8/2831=3...(17) HE2 LYS 45 - HD3 LYS 45 OK 38 45 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 38 45 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 45 - HD2 LYS 45 OK 34 41 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD2 LYS 45 OK 34 41 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD2 LYS 94 OK 21 92 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD3 LYS 94 OK 21 92 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 13 100 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 13 100 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 63 - HD3 LYS 61 OK 12 100 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 12 100 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 100 - 12 - HE3 LYS 63 - HD2 LYS 61 OK 12 100 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 9 78 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 9 78 - 12 - HE2 LYS 45 - HD3 LYS 94 poor 9 78 - 12 - HE3 LYS 45 - HD3 LYS 94 poor 9 78 - 12 - HE3 LYS 94 - HD2 LYS 61 lone 7 100 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 100 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 100 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 100 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 6 89 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 6 89 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 6 89 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 6 89 - 6 - HE3 LYS 61 - HD3 LYS 94 lone 5 59 - 9 - HE3 LYS 61 - HD2 LYS 94 lone 5 59 - 9 - HE3 LYS 45 - HD3 LYS 63 lone 5 90 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 5 90 - 6 - HE3 LYS 61 - HD2 LYS 44 poor 5 46 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 5 45 - 11 - HE3 LYS 45 - HD3 LYS 44 lone 5 62 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 5 62 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 5 62 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 5 62 - 8 - HE3 LYS 61 - HD3 LYS 63 lone 4 71 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 3 56 - 5 - HE2 LYS 94 - HD3 LYS 45 lone 3 56 - 5 - HE3 LYS 94 - HD2 LYS 44 lone 3 75 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 3 74 - 4 - HE2 LYS 94 - HD2 LYS 44 lone 3 75 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 3 74 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 3 56 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 56 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 3 51 - 5 - HE2 LYS 94 - HD2 LYS 45 lone 3 51 - 5 - HE2 LYS 63 - HD2 LYS 45 lone 2 51 - 5 - HE3 LYS 63 - HD2 LYS 45 lone 2 51 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 75 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 75 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 75 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 75 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 33 - 5 - HE3 LYS 61 - HD2 LYS 45 lone 1 29 - 5 - HE2 LYS 63 - HD2 LYS 77 lone 1 52 - 2 - HE3 LYS 63 - HD2 LYS 77 lone 1 52 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 0 42 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 0 42 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 63 - 1 - HE3 LYS 94 - HG12 ILE 27 lone 0 63 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 52 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 52 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 30 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 52 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 52 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 38 - 0 - Peak 2955 from cnoeabs.peaks (2.98, 1.68, 28.85 ppm; 2.70 A): 8 out of 77 assignments used, quality = 1.00: HE2 LYS 63 + HD3 LYS 63 OK 84 100 - 84 - 3.0=77, 2904/3.9=3...(11) * HE3 LYS 63 + HD3 LYS 63 OK 84 100 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 94 + HD3 LYS 94 OK 79 91 - 87 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 94 + HD2 LYS 94 OK 79 91 - 87 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD2 LYS 94 OK 79 92 - 86 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD3 LYS 94 OK 79 92 - 86 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 61 + HD2 LYS 61 OK 62 72 - 85 - 2.9=78, 1.8/2830=3...(17) HE3 LYS 61 + HD3 LYS 61 OK 62 72 - 85 - 2.9=78, 1.8/2830=3...(17) HE2 LYS 45 - HD3 LYS 45 OK 39 47 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 39 47 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 45 - HD2 LYS 45 OK 35 42 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD2 LYS 45 OK 35 42 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD2 LYS 94 OK 21 92 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD3 LYS 94 OK 21 92 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 21 92 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 21 92 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 13 100 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 13 100 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 63 - HD3 LYS 61 OK 12 100 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 12 100 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 100 - 12 - HE3 LYS 63 - HD2 LYS 61 OK 12 100 - 12 - HE3 LYS 45 - HD2 LYS 94 poor 10 80 - 12 - HE2 LYS 45 - HD2 LYS 94 poor 10 80 - 12 - HE2 LYS 45 - HD3 LYS 94 poor 10 80 - 12 - HE3 LYS 45 - HD3 LYS 94 poor 10 80 - 12 - HE3 LYS 94 - HD2 LYS 61 lone 7 100 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 100 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 100 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 100 - 7 - HE2 LYS 45 - HD3 LYS 61 lone 6 91 - 7 - HE2 LYS 45 - HD2 LYS 61 lone 6 91 - 7 - HE3 LYS 45 - HD2 LYS 61 lone 6 91 - 7 - HE3 LYS 45 - HD3 LYS 61 lone 6 91 - 7 - HE3 LYS 61 - HD3 LYS 94 lone 6 62 - 9 - HE3 LYS 61 - HD2 LYS 94 lone 6 62 - 9 - HE3 LYS 45 - HD3 LYS 63 lone 5 92 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 5 92 - 6 - HE3 LYS 61 - HD2 LYS 44 poor 5 47 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 5 47 - 11 - HE3 LYS 45 - HD3 LYS 44 lone 5 63 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 5 63 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 5 63 - 8 - HE3 LYS 45 - HD2 LYS 44 lone 5 63 - 8 - HE3 LYS 61 - HD3 LYS 63 lone 4 73 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 3 56 - 5 - HE2 LYS 94 - HD3 LYS 45 lone 3 56 - 5 - HE2 LYS 94 - HD2 LYS 44 lone 3 75 - 4 - HE3 LYS 94 - HD2 LYS 44 lone 3 74 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 3 75 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 3 74 - 4 - HE2 LYS 63 - HD3 LYS 45 lone 3 56 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 56 - 5 - HE3 LYS 94 - HD2 LYS 45 lone 3 50 - 5 - HE2 LYS 94 - HD2 LYS 45 lone 3 51 - 5 - HE2 LYS 63 - HD2 LYS 45 lone 2 51 - 5 - HE3 LYS 63 - HD2 LYS 45 lone 2 51 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 75 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 75 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 75 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 75 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 34 - 5 - HE3 LYS 61 - HD2 LYS 45 lone 2 31 - 5 - HE3 LYS 63 - HD2 LYS 77 lone 1 52 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 1 52 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 63 - 1 - HE3 LYS 94 - HG12 ILE 27 lone 0 63 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 63 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 52 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 52 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 32 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 53 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 53 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 39 - 0 - Peak 2957 from cnoeabs.peaks (4.27, 2.98, 41.66 ppm; 5.65 A): 4 out of 49 assignments used, quality = 1.00: * HA LYS 63 + HE2 LYS 63 OK 99 100 - 99 - 6.3=73, 2937/3.0=30...(42) HA LYS 63 + HE3 LYS 63 OK 99 100 - 99 - 6.3=73, 2937/3.0=30...(42) HA LYS 63 + HE3 LYS 94 OK 62 100 - 63 - 2894=7, 3.0/2914=7...(23) HA LYS 63 + HE2 LYS 94 OK 62 100 - 63 - 2894=7, 3.0/2914=7...(23) HA LYS 45 - HE3 LYS 45 OK 39 42 - 93 - 6.2=74, 2252/3.5=11...(30) HA LYS 45 - HE2 LYS 45 OK 39 42 - 93 - 6.2=74, 2252/3.5=11...(30) HA LYS 63 - HE3 LYS 45 OK 30 75 - 39 - 2895=4, 2895/1.8=4...(14) HA LYS 63 - HE2 LYS 45 OK 30 75 - 39 - 2895=4, 2895/1.8=4...(14) HA3 GLY 85 - HE2 LYS 94 OK 22 98 - 22 - 6644/6.5=11, 6655/3.7=6...(5) HA3 GLY 85 - HE3 LYS 94 OK 22 98 - 22 - 6644/6.5=11, 6655/3.7=6...(5) HA LYS 63 - HE3 LYS 61 OK 19 47 - 40 - 2893/2.9=4, 2893/2.9=4...(13) HA LYS 45 - HE2 LYS 63 OK 12 65 - 18 - 2937/3.0=3 HA LYS 45 - HE3 LYS 63 OK 12 65 - 18 - 2937/3.0=3 HA3 GLY 85 - HE2 LYS 63 OK 11 99 - 12 - 2937/3.0=3, 6654/4.8=2...(6) HA3 GLY 85 - HE3 LYS 63 OK 11 99 - 12 - 2937/3.0=3, 6654/4.8=2...(6) HA LYS 45 - HE3 LYS 94 OK 10 65 - 16 - ~193=1, ~194=1 HA LYS 45 - HE2 LYS 94 poor 10 65 - 15 - ~193=1, ~194=1 HD2 PRO 73 - HE2 LYS 63 lone 8 100 - 8 - 2937/3.0=3 HD2 PRO 73 - HE3 LYS 63 lone 8 100 - 8 - 2937/3.0=3 HA ALA 79 - HE2 LYS 63 lone 7 100 - 7 - 2937/3.0=2 HA ALA 79 - HE3 LYS 63 lone 7 100 - 7 - 2937/3.0=2 HA LYS 45 - HE3 LYS 61 poor 6 25 - 26 - 2252/3.9=2, 2252/3.9=2...(12) HA GLU 58 - HE2 LYS 63 lone 5 99 - 5 - 2937/3.0=1 HA GLU 58 - HE3 LYS 63 lone 5 99 - 5 - 2937/3.0=1 HA3 GLY 85 - HE3 LYS 45 lone 4 72 - 6 - 6655/3.5=2 HA3 GLY 85 - HE2 LYS 45 lone 4 72 - 6 - 6655/3.5=2 HA VAL 68 - HE2 LYS 63 lone 4 71 - 5 - HA VAL 68 - HE3 LYS 63 lone 4 71 - 5 - HA ALA 79 - HE3 LYS 94 lone 3 100 - 3 - HA ALA 79 - HE2 LYS 94 lone 3 100 - 3 - HA GLU 58 - HE3 LYS 94 lone 3 99 - 3 - HA GLU 58 - HE2 LYS 94 lone 3 99 - 3 - HD2 PRO 73 - HE3 LYS 94 lone 3 99 - 3 - HD2 PRO 73 - HE2 LYS 94 lone 3 99 - 3 - HA ALA 79 - HE2 LYS 45 lone 3 75 - 3 - HA ALA 79 - HE3 LYS 45 lone 3 75 - 3 - HA ALA 79 - HE3 LYS 61 lone 3 47 - 5 - ~953=1 HA VAL 68 - HE2 LYS 94 lone 2 70 - 3 - HA VAL 68 - HE3 LYS 94 lone 2 70 - 3 - HD2 PRO 73 - HE2 LYS 45 lone 2 74 - 3 - HD2 PRO 73 - HE3 LYS 45 lone 2 74 - 3 - HA GLU 58 - HE2 LYS 45 lone 2 73 - 3 - HA GLU 58 - HE3 LYS 45 lone 2 73 - 3 - HA GLU 58 - HE3 LYS 61 lone 2 46 - 4 - HA3 GLY 85 - HE3 LYS 61 lone 2 44 - 4 - HD2 PRO 73 - HE3 LYS 61 lone 1 46 - 3 - HA VAL 68 - HE3 LYS 45 lone 1 46 - 2 - HA VAL 68 - HE2 LYS 45 lone 1 46 - 2 - HA VAL 68 - HE3 LYS 61 lone 1 27 - 3 - Peak 2958 from cnoeabs.peaks (1.88, 2.98, 41.66 ppm; 4.36 A): 4 out of 84 assignments used, quality = 1.00: * HB2 LYS 63 + HE2 LYS 63 OK 99 100 - 99 - 4.8=76, 2902/3.0=22...(76) HB2 LYS 63 + HE3 LYS 63 OK 99 100 - 99 - 4.8=76, 2902/3.0=22...(76) HB2 LYS 63 + HE3 LYS 94 OK 58 100 - 59 - 2904=7, 2904/1.8=6...(24) HB2 LYS 63 + HE2 LYS 94 OK 58 100 - 58 - 2904=7, 2904/1.8=6...(24) HB2 LYS 63 - HE2 LYS 45 OK 27 75 - 36 - 2905=4, 2905/1.8=3...(11) HB2 LYS 63 - HE3 LYS 45 OK 27 75 - 36 - 2905=4, 2905/1.8=3...(11) HB2 LEU 62 - HE2 LYS 63 OK 21 97 - 22 - 283/6.9=5, 5948/6.3=4, ~5957=1 HB2 LEU 62 - HE3 LYS 63 OK 21 97 - 22 - 283/6.9=5, 5948/6.3=4, ~5957=1 HB3 LYS 44 - HE3 LYS 45 OK 16 59 - 28 - 190/7.3=3, ~2200=1...(5) HB3 LYS 44 - HE2 LYS 45 OK 16 59 - 28 - 190/7.3=3, ~2200=1...(5) HB2 LYS 44 - HE2 LYS 45 OK 15 53 - 28 - 190/7.3=3, ~2200=1...(5) HB2 LYS 44 - HE3 LYS 45 OK 15 53 - 28 - 190/7.3=3, ~2200=1...(5) HB2 LYS 63 - HE3 LYS 61 OK 14 47 - 30 - 2903/2.9=3, 2903/2.9=3...(8) HB3 LYS 44 - HE3 LYS 61 OK 14 35 - 41 - ~2201=2, ~2200=2...(22) HB2 LYS 44 - HE3 LYS 61 OK 13 32 - 40 - ~2201=2, ~2200=2...(22) HB2 LEU 62 - HE3 LYS 94 lone 9 96 - 9 - 5964/7.2=2 HB2 LEU 62 - HE2 LYS 94 lone 9 96 - 9 - 5964/7.2=2 HB3 LYS 44 - HE3 LYS 94 lone 8 86 - 10 - HB3 LYS 44 - HE2 LYS 94 lone 8 86 - 9 - HB2 LYS 44 - HE3 LYS 94 lone 8 80 - 9 - HB2 LYS 44 - HE2 LYS 94 lone 8 80 - 9 - HB2 LEU 62 - HE3 LYS 61 poor 6 42 - 14 - ~5957=2, ~5955=2...(6) HD3 LYS 77 - HE2 LYS 63 lone 6 93 - 6 - HD3 LYS 77 - HE3 LYS 63 lone 6 93 - 6 - HB ILE 16 - HE2 LYS 63 lone 4 76 - 5 - ~4589=1, ~4603=1 HB ILE 16 - HE3 LYS 63 lone 4 76 - 5 - ~4589=1, ~4603=1 HB2 ARG 57 - HE2 LYS 63 lone 4 95 - 4 - HB3 ARG 57 - HE2 LYS 63 lone 4 95 - 4 - HB2 ARG 57 - HE3 LYS 63 lone 4 94 - 4 - HB3 ARG 57 - HE3 LYS 63 lone 4 94 - 4 - HB ILE 37 - HE3 LYS 61 poor 4 26 - 15 - ~5286=4, ~5269=2...(6) HB3 LYS 44 - HE3 LYS 63 lone 3 87 - 4 - HB3 LYS 44 - HE2 LYS 63 lone 3 87 - 4 - HB ILE 37 - HE3 LYS 94 lone 3 67 - 5 - HB ILE 37 - HE2 LYS 94 lone 3 67 - 5 - HB2 LYS 44 - HE3 LYS 63 lone 3 81 - 4 - HB2 LYS 44 - HE2 LYS 63 lone 3 81 - 4 - HB2 LEU 62 - HE3 LYS 45 lone 3 69 - 4 - HB2 LEU 62 - HE2 LYS 45 lone 3 69 - 4 - HB ILE 16 - HE2 LYS 94 lone 3 75 - 4 - HB ILE 16 - HE3 LYS 94 lone 3 75 - 4 - HB ILE 37 - HE2 LYS 63 lone 3 68 - 4 - HB ILE 37 - HE3 LYS 63 lone 3 68 - 4 - HB2 PRO 92 - HE2 LYS 63 lone 3 93 - 3 - HB2 PRO 92 - HE3 LYS 63 lone 3 93 - 3 - HB ILE 27 - HE2 LYS 63 lone 2 92 - 2 - HB ILE 27 - HE3 LYS 63 lone 2 92 - 2 - HB ILE 27 - HE3 LYS 94 lone 2 91 - 2 - HB ILE 27 - HE2 LYS 94 lone 2 91 - 2 - HD3 LYS 77 - HE3 LYS 45 lone 2 65 - 3 - HD3 LYS 77 - HE2 LYS 45 lone 2 65 - 3 - HB2 ARG 57 - HE3 LYS 94 lone 2 94 - 2 - HB3 ARG 57 - HE3 LYS 94 lone 2 94 - 2 - HB2 ARG 57 - HE2 LYS 94 lone 2 94 - 2 - HB3 ARG 57 - HE2 LYS 94 lone 2 94 - 2 - HB2 GLU 87 - HE2 LYS 94 lone 2 100 - 2 - HB2 GLU 87 - HE3 LYS 94 lone 2 100 - 2 - HB2 GLU 87 - HE3 LYS 63 lone 2 100 - 2 - HB2 GLU 87 - HE2 LYS 63 lone 2 100 - 2 - HD3 LYS 77 - HE3 LYS 94 lone 1 92 - 2 - HD3 LYS 77 - HE2 LYS 94 lone 1 92 - 1 - HB2 ARG 57 - HE3 LYS 45 lone 1 66 - 2 - HB3 ARG 57 - HE3 LYS 45 lone 1 66 - 2 - HB3 ARG 57 - HE2 LYS 45 lone 1 66 - 2 - HB2 ARG 57 - HE2 LYS 45 lone 1 66 - 2 - HB2 GLU 87 - HE3 LYS 61 lone 1 47 - 3 - 7212/7.3=1 HB2 PRO 92 - HE2 LYS 94 lone 1 92 - 1 - HB2 PRO 92 - HE3 LYS 94 lone 1 92 - 1 - HD3 LYS 77 - HE3 LYS 61 lone 1 40 - 3 - HB3 ARG 57 - HE3 LYS 61 lone 1 41 - 3 - HB2 ARG 57 - HE3 LYS 61 lone 1 41 - 3 - HB ILE 16 - HE3 LYS 61 lone 1 29 - 4 - HB ILE 37 - HE2 LYS 45 lone 1 44 - 2 - HB ILE 37 - HE3 LYS 45 lone 1 44 - 2 - HB2 GLU 87 - HE2 LYS 45 lone 1 75 - 1 - HB2 GLU 87 - HE3 LYS 45 lone 1 75 - 1 - HB ILE 27 - HE2 LYS 45 lone 1 63 - 2 - HB ILE 27 - HE3 LYS 45 lone 1 63 - 2 - HB2 PRO 92 - HE3 LYS 61 lone 1 40 - 2 - HB2 PRO 92 - HE2 LYS 45 lone 1 65 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 65 - 1 - HB ILE 27 - HE3 LYS 61 lone 1 39 - 2 - HB ILE 16 - HE3 LYS 45 lone 1 50 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 50 - 1 - Peak 2959 from cnoeabs.peaks (1.53, 2.98, 41.66 ppm; 3.31 A): 8 out of 70 assignments used, quality = 1.00: * HB3 LYS 63 + HE2 LYS 63 OK 85 100 - 85 - 4.8=33, 2912/3.0=15...(41) HB3 LYS 63 + HE3 LYS 63 OK 85 100 - 85 - 4.8=33, 2912/3.0=15...(41) HB3 LYS 94 + HE3 LYS 94 OK 80 98 - 81 - 4.9=30, 3887/3.7=16...(38) HB3 LYS 94 + HE2 LYS 94 OK 79 98 - 81 - 4.9=30, 3887/3.7=16...(38) HG2 LYS 94 + HE3 LYS 94 OK 68 75 - 91 - 3.7=73, 3881/3.0=6...(39) HG2 LYS 94 + HE2 LYS 94 OK 68 75 - 90 - 3.7=73, 3880/3.0=6...(39) HG2 LYS 45 + HE2 LYS 45 OK 61 65 - 94 - 3.5=84, 2284/3.0=9...(40) HG2 LYS 45 + HE3 LYS 45 OK 61 65 - 94 - 3.5=84, 2284/3.0=9...(40) HB3 LYS 63 - HE3 LYS 94 OK 40 100 - 40 - 1.8/2904=4, 2914=3...(17) HB3 LYS 63 - HE2 LYS 94 OK 39 100 - 40 - 1.8/2904=4, 2914=3...(17) HB3 LYS 94 - HE2 LYS 63 OK 38 99 - 39 - 1.8/3863=3, 3873=2...(14) HB3 LYS 94 - HE3 LYS 63 OK 38 99 - 39 - 1.8/3863=3, 3873/1.8=2...(14) HG2 LYS 94 - HE2 LYS 63 OK 27 76 - 36 - 2.9/3863=3, 2.9/3873=2...(15) HG2 LYS 94 - HE3 LYS 63 OK 27 76 - 36 - 2.9/3863=3, 2.9/3873=2...(15) HB3 LYS 94 - HE3 LYS 45 OK 17 72 - 24 - 3868/3.5=2, 1.8/3862=2...(9) HB3 LYS 94 - HE2 LYS 45 OK 17 72 - 24 - 3868/3.5=2, 1.8/3862=2...(9) HB3 LYS 63 - HE3 LYS 45 OK 16 75 - 21 - 1.8/2905=2, 2915=2...(7) HB3 LYS 63 - HE2 LYS 45 OK 16 75 - 21 - 1.8/2905=2, 2915=2...(7) HB3 LEU 62 - HE2 LYS 63 OK 13 100 - 13 - 5950/6.3=3, 4256/6.9=3 HB3 LEU 62 - HE3 LYS 63 OK 13 100 - 13 - 5950/6.3=3, 4256/6.9=3 HG2 LYS 45 - HE3 LYS 94 OK 11 92 - 12 - HG2 LYS 45 - HE2 LYS 94 OK 11 92 - 12 - HG2 LYS 94 - HE3 LYS 45 OK 10 50 - 21 - 2.9/3862=2, 2.9/3872=1...(4) HG2 LYS 94 - HE2 LYS 45 OK 10 50 - 21 - 2.9/3862=2, 2.9/3872=1...(4) HG13 ILE 93 - HE2 LYS 94 lone 9 98 - 9 - 3875/6.5=1, 4380/7.2=1...(4) HG13 ILE 93 - HE3 LYS 94 lone 9 98 - 9 - 3875/6.5=1, 4380/7.2=1...(4) HB3 LYS 94 - HE3 LYS 61 poor 9 44 - 20 - 3870/2.9=2, 3871/2.9=2...(4) HB3 LEU 62 - HE3 LYS 94 lone 8 100 - 8 - 5965/7.2=1 HB3 LEU 62 - HE2 LYS 94 lone 8 100 - 8 - 5965/7.2=1 HB3 LYS 63 - HE3 LYS 61 poor 8 47 - 17 - 2913/2.9=2, 2913/2.9=2...(5) HD2 LYS 86 - HE3 LYS 94 lone 8 94 - 8 - 3606/3.7=3, 3887/3.7=2 HD2 LYS 86 - HE2 LYS 94 lone 8 94 - 8 - 3606/3.7=3, 3887/3.7=2 HG3 LYS 44 - HE3 LYS 45 poor 7 46 - 16 - 192/7.3=2, ~2200=1, ~2201=1 HG3 LYS 44 - HE2 LYS 45 poor 7 46 - 16 - 192/7.3=2, ~2200=1, ~2201=1 HG2 LYS 45 - HE2 LYS 63 lone 6 93 - 6 - HG2 LYS 45 - HE3 LYS 63 lone 6 93 - 6 - HG3 LYS 44 - HE3 LYS 61 poor 6 27 - 22 - ~2201=2, ~2200=2...(8) HG2 LYS 94 - HE3 LYS 61 poor 5 29 - 18 - 2121/1.8=1, 2.9/3862=1...(4) HG3 LYS 44 - HE3 LYS 94 lone 5 70 - 6 - HG3 LYS 44 - HE2 LYS 94 lone 4 70 - 6 - HG2 LYS 45 - HE3 LYS 61 poor 4 40 - 11 - HD2 LYS 86 - HE2 LYS 63 lone 4 95 - 4 - HD2 LYS 86 - HE3 LYS 63 lone 4 94 - 4 - HB3 LEU 62 - HE3 LYS 61 lone 4 47 - 8 - HG3 LYS 41 - HE3 LYS 94 lone 3 80 - 4 - HG3 LYS 41 - HE2 LYS 94 lone 3 80 - 4 - HG3 LYS 41 - HE3 LYS 61 lone 3 32 - 8 - ~2064=2 HG13 ILE 93 - HE2 LYS 63 lone 2 99 - 2 - HG13 ILE 93 - HE3 LYS 63 lone 2 99 - 2 - HG3 LYS 41 - HE3 LYS 45 lone 2 53 - 4 - HG3 LYS 41 - HE2 LYS 45 lone 2 53 - 4 - HG3 LYS 44 - HE2 LYS 63 lone 2 71 - 3 - HG3 LYS 44 - HE3 LYS 63 lone 2 71 - 3 - HB3 LEU 62 - HE2 LYS 45 lone 2 75 - 2 - HB3 LEU 62 - HE3 LYS 45 lone 2 75 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 66 - 2 - HD2 LYS 86 - HE2 LYS 45 lone 1 66 - 2 - HD2 LYS 86 - HE3 LYS 61 lone 1 41 - 3 - HG LEU 53 - HE3 LYS 94 lone 1 56 - 2 - HG LEU 53 - HE2 LYS 94 lone 1 56 - 2 - HG3 LYS 41 - HE2 LYS 63 lone 1 81 - 1 - HG3 LYS 41 - HE3 LYS 63 lone 1 81 - 1 - HG13 ILE 93 - HE2 LYS 45 lone 1 72 - 1 - HG13 ILE 93 - HE3 LYS 45 lone 1 72 - 1 - HG13 ILE 93 - HE3 LYS 61 lone 0 44 - 1 - HG LEU 53 - HE2 LYS 63 lone 0 57 - 1 - HG LEU 53 - HE3 LYS 63 lone 0 57 - 1 - HG LEU 53 - HE2 LYS 45 lone 0 36 - 1 - HG LEU 53 - HE3 LYS 45 lone 0 36 - 1 - HG LEU 53 - HE3 LYS 61 lone 0 21 - 1 - Peak 2960 from cnoeabs.peaks (1.43, 2.98, 41.66 ppm; 3.20 A): 6 out of 70 assignments used, quality = 1.00: HG3 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) * HG2 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 94 + HE3 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 94 + HE2 LYS 94 OK 85 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 61 - HE3 LYS 61 OK 33 41 - 81 - 3.9=55, 2802/1.8=5...(37) HG3 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 61 - HE3 LYS 61 OK 33 41 - 81 - 3.9=55, 2802/1.8=5...(36) HG2 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 94 - HE2 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2941/3.0=2...(12) HG3 LYS 94 - HE3 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 61 - HE2 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG3 LYS 61 - HE3 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG2 LYS 61 - HE2 LYS 63 OK 21 95 - 22 - 2941/3.0=2 HG2 LYS 61 - HE3 LYS 63 OK 21 94 - 22 - 2941/3.0=2 HG3 LYS 94 - HE2 LYS 45 OK 14 72 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 94 - HE3 LYS 45 OK 14 72 - 20 - 2.9/3862=1, 2.9/3872=1 HG2 LYS 63 - HE2 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE3 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE3 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE2 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 61 - HE3 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE3 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE2 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE2 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE2 LYS 45 poor 8 68 - 11 - HG3 LYS 61 - HE3 LYS 45 poor 8 68 - 11 - HG2 LYS 61 - HE2 LYS 45 poor 8 66 - 11 - HG2 LYS 61 - HE3 LYS 45 poor 8 66 - 11 - HG2 LYS 63 - HE3 LYS 61 poor 7 47 - 16 - HG3 LYS 63 - HE3 LYS 61 poor 7 47 - 16 - HG3 LYS 94 - HE3 LYS 61 poor 7 44 - 16 - 3890/2.9=1, 3890/2.9=1, ~2121=1 HD3 LYS 86 - HE3 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HD3 LYS 86 - HE2 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HG13 ILE 51 - HE2 LYS 94 lone 3 100 - 3 - HG13 ILE 51 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 63 lone 3 96 - 3 - HD3 LYS 86 - HE3 LYS 63 lone 3 96 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HE2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HE2 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE3 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 94 lone 2 72 - 2 - HB ILE 51 - HE3 LYS 94 lone 2 72 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 68 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 68 - 2 - HG12 ILE 80 - HE2 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HE3 LYS 61 lone 1 41 - 3 - HG12 ILE 80 - HE3 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 85 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 85 - 1 - HG13 ILE 51 - HE2 LYS 45 lone 1 75 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 75 - 1 - QG2 THR 67 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 84 - 1 - HG13 ILE 51 - HE3 LYS 61 lone 1 47 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 0 57 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 0 57 - 1 - HB ILE 51 - HE3 LYS 45 lone 0 48 - 1 - HB ILE 51 - HE2 LYS 45 lone 0 48 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 57 - 0 - QG2 THR 67 - HE3 LYS 45 lone 0 57 - 0 - HB ILE 51 - HE3 LYS 61 lone 0 28 - 1 - QG2 THR 67 - HE3 LYS 61 lone 0 34 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 34 - 0 - Peak 2961 from cnoeabs.peaks (1.43, 2.98, 41.66 ppm; 3.20 A): 6 out of 70 assignments used, quality = 1.00: * HG3 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 94 + HE3 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 94 + HE2 LYS 94 OK 85 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 61 - HE3 LYS 61 OK 33 41 - 81 - 3.9=55, 2802/1.8=5...(37) HG3 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 61 - HE3 LYS 61 OK 33 41 - 81 - 3.9=55, 2802/1.8=5...(36) HG2 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 94 - HE2 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2941/3.0=2...(12) HG3 LYS 94 - HE3 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 61 - HE2 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG3 LYS 61 - HE3 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG2 LYS 61 - HE2 LYS 63 OK 21 95 - 22 - 2941/3.0=2 HG2 LYS 61 - HE3 LYS 63 OK 21 94 - 22 - 2941/3.0=2 HG3 LYS 94 - HE2 LYS 45 OK 14 72 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 94 - HE3 LYS 45 OK 14 72 - 20 - 2.9/3862=1, 2.9/3872=1 HG2 LYS 63 - HE2 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE3 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE3 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE2 LYS 45 OK 13 75 - 17 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 61 - HE3 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE3 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE2 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE2 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE2 LYS 45 poor 8 68 - 11 - HG3 LYS 61 - HE3 LYS 45 poor 8 68 - 11 - HG2 LYS 61 - HE2 LYS 45 poor 8 66 - 11 - HG2 LYS 61 - HE3 LYS 45 poor 8 66 - 11 - HG2 LYS 63 - HE3 LYS 61 poor 7 47 - 16 - HG3 LYS 63 - HE3 LYS 61 poor 7 47 - 16 - HG3 LYS 94 - HE3 LYS 61 poor 7 44 - 16 - 3890/2.9=1, 3890/2.9=1, ~2121=1 HD3 LYS 86 - HE3 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HD3 LYS 86 - HE2 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HG13 ILE 51 - HE2 LYS 94 lone 3 100 - 3 - HG13 ILE 51 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 63 lone 3 96 - 3 - HD3 LYS 86 - HE3 LYS 63 lone 3 96 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HE2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HE2 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE3 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 94 lone 2 72 - 2 - HB ILE 51 - HE3 LYS 94 lone 2 72 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 68 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 68 - 2 - HG12 ILE 80 - HE2 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HE3 LYS 61 lone 1 41 - 3 - HG12 ILE 80 - HE3 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 85 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 85 - 1 - HG13 ILE 51 - HE2 LYS 45 lone 1 75 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 75 - 1 - QG2 THR 67 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 84 - 1 - HG13 ILE 51 - HE3 LYS 61 lone 1 47 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 0 57 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 0 57 - 1 - HB ILE 51 - HE3 LYS 45 lone 0 48 - 1 - HB ILE 51 - HE2 LYS 45 lone 0 48 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 57 - 0 - QG2 THR 67 - HE3 LYS 45 lone 0 57 - 0 - HB ILE 51 - HE3 LYS 61 lone 0 28 - 1 - QG2 THR 67 - HE3 LYS 61 lone 0 34 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 34 - 0 - Peak 2962 from cnoeabs.peaks (1.59, 2.98, 41.66 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 - 3.0=100 HD2 LYS 63 + HE3 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2963 from cnoeabs.peaks (1.68, 2.98, 41.66 ppm; 2.51 A): 6 out of 126 assignments used, quality = 1.00: HD2 LYS 94 + HE3 LYS 94 OK 76 99 - 76 - 3.0=61, 3891/3.7=4...(20) HD3 LYS 94 + HE3 LYS 94 OK 76 99 - 76 - 3.0=61, 3891/3.7=4...(20) HD2 LYS 94 + HE2 LYS 94 OK 76 99 - 76 - 3.0=61, 3890/3.7=4...(20) HD3 LYS 94 + HE2 LYS 94 OK 76 99 - 76 - 3.0=61, 3890/3.7=4...(20) * HD3 LYS 63 + HE2 LYS 63 OK 72 100 - 72 - 3.0=62, 3.9/2904=2...(10) HD3 LYS 63 + HE3 LYS 63 OK 72 100 - 72 - 3.0=62, 3.9/2904=2...(10) HD3 LYS 45 - HE2 LYS 45 OK 40 55 - 72 - 3.0=60, 2284/3.5=3...(15) HD3 LYS 45 - HE3 LYS 45 OK 40 55 - 72 - 3.0=60, 2284/3.5=3...(15) HD2 LYS 45 - HE2 LYS 45 OK 37 52 - 73 - 3.0=60, 2284/3.5=3...(15) HD2 LYS 45 - HE3 LYS 45 OK 37 52 - 73 - 3.0=60, 2284/3.5=3...(15) HD3 LYS 61 - HE3 LYS 61 OK 34 47 - 72 - 2.9=63, 2812/1.8=3...(12) HD2 LYS 61 - HE3 LYS 61 OK 34 47 - 72 - 2.9=63, 2812/1.8=3...(12) HD2 LYS 94 - HE2 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD3 LYS 94 - HE2 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD2 LYS 94 - HE3 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD3 LYS 94 - HE3 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD3 LYS 63 - HE3 LYS 94 OK 11 100 - 12 - 3.9/2904=1, 3.9/2914=1 HD3 LYS 63 - HE2 LYS 94 OK 11 100 - 11 - 3.9/2904=1, 3.9/2914=1 HD2 LYS 61 - HE2 LYS 63 OK 10 100 - 10 - HD3 LYS 61 - HE2 LYS 63 OK 10 100 - 10 - HD3 LYS 61 - HE3 LYS 63 OK 10 100 - 10 - HD2 LYS 61 - HE3 LYS 63 OK 10 100 - 10 - HB3 LYS 61 - HE3 LYS 61 OK 10 29 - 34 - 5.0=12, ~2772=2...(12) HB3 LYS 61 - HE2 LYS 63 lone 7 76 - 10 - HD3 LYS 94 - HE3 LYS 45 lone 7 74 - 10 - HD2 LYS 94 - HE3 LYS 45 lone 7 74 - 10 - HD3 LYS 94 - HE2 LYS 45 lone 7 74 - 10 - HD2 LYS 94 - HE2 LYS 45 lone 7 74 - 10 - HB3 LYS 61 - HE3 LYS 63 lone 7 76 - 10 - HD3 LYS 61 - HE3 LYS 94 lone 6 100 - 6 - HD2 LYS 61 - HE3 LYS 94 lone 6 100 - 6 - HD2 LYS 61 - HE2 LYS 94 lone 6 100 - 6 - HD3 LYS 61 - HE2 LYS 94 lone 6 100 - 6 - HD2 LYS 44 - HE3 LYS 45 lone 5 75 - 6 - HD2 LYS 44 - HE2 LYS 45 lone 5 75 - 6 - HD3 LYS 44 - HE3 LYS 45 lone 5 75 - 6 - HD3 LYS 44 - HE2 LYS 45 lone 5 75 - 6 - HD2 LYS 44 - HE3 LYS 61 lone 4 47 - 9 - HD3 LYS 44 - HE3 LYS 61 lone 4 47 - 9 - HD3 LYS 61 - HE2 LYS 45 lone 4 75 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 4 75 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 75 - 5 - HD2 LYS 61 - HE3 LYS 45 lone 4 75 - 5 - HD3 LYS 45 - HE2 LYS 94 lone 4 82 - 4 - HD3 LYS 45 - HE3 LYS 94 lone 4 82 - 4 - HD3 LYS 94 - HE3 LYS 61 lone 4 46 - 8 - HD2 LYS 94 - HE3 LYS 61 lone 4 46 - 8 - HB3 LYS 61 - HE3 LYS 94 lone 3 75 - 5 - HD2 LYS 44 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 44 - HE3 LYS 94 lone 3 100 - 3 - HD2 LYS 44 - HE2 LYS 94 lone 3 100 - 3 - HD3 LYS 63 - HE3 LYS 45 lone 3 75 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 3 75 - 4 - HD3 LYS 44 - HE2 LYS 94 lone 3 100 - 3 - HD2 LYS 45 - HE2 LYS 94 lone 3 77 - 4 - HB3 LYS 61 - HE2 LYS 94 lone 3 75 - 4 - HD2 LYS 45 - HE3 LYS 94 lone 3 77 - 4 - HD3 LYS 45 - HE2 LYS 63 lone 3 83 - 4 - HD3 LYS 45 - HE3 LYS 63 lone 3 83 - 4 - HD2 LYS 45 - HE2 LYS 63 lone 3 78 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 3 78 - 4 - HB3 LYS 61 - HE3 LYS 45 lone 2 50 - 5 - HB3 LYS 61 - HE2 LYS 45 lone 2 50 - 5 - HD3 LYS 63 - HE3 LYS 61 lone 2 47 - 5 - HD2 LYS 44 - HE2 LYS 63 lone 2 100 - 2 - HD2 LYS 44 - HE3 LYS 63 lone 2 100 - 2 - HD3 LYS 44 - HE2 LYS 63 lone 2 100 - 2 - HD3 LYS 44 - HE3 LYS 63 lone 2 100 - 2 - HD3 LYS 35 - HE3 LYS 61 lone 2 46 - 4 - HG2 ARG 57 - HE3 LYS 63 lone 1 100 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 1 100 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 1 100 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 1 100 - 1 - HD2 LYS 77 - HE2 LYS 63 lone 1 81 - 2 - HD2 LYS 77 - HE3 LYS 63 lone 1 81 - 2 - HD3 LYS 45 - HE3 LYS 61 lone 1 33 - 4 - QB ALA 79 - HE3 LYS 63 lone 1 94 - 1 - HD2 LYS 45 - HE3 LYS 61 lone 1 31 - 4 - QB ALA 79 - HE2 LYS 63 lone 1 95 - 1 - HD3 LYS 35 - HE2 LYS 94 lone 1 99 - 1 - HD3 LYS 35 - HE3 LYS 94 lone 1 99 - 1 - HB ILE 40 - HE2 LYS 94 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 94 lone 1 100 - 1 - QB ALA 79 - HE2 LYS 94 lone 1 94 - 1 - QB ALA 79 - HE3 LYS 94 lone 1 94 - 1 - HG3 ARG 57 - HE2 LYS 94 lone 1 100 - 1 - HG3 ARG 57 - HE3 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HE2 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HE3 LYS 94 lone 1 100 - 1 - HD3 LYS 35 - HE3 LYS 63 lone 1 100 - 1 - HD3 LYS 35 - HE2 LYS 63 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 63 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 63 lone 1 100 - 1 - HG12 ILE 39 - HE3 LYS 94 lone 1 96 - 1 - HG12 ILE 39 - HE2 LYS 94 lone 1 96 - 1 - QB ALA 79 - HE3 LYS 45 lone 0 66 - 1 - QB ALA 79 - HE2 LYS 45 lone 0 66 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 53 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 53 - 1 - HD2 LYS 77 - HE2 LYS 94 lone 0 80 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 80 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 97 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 97 - 0 - HG12 ILE 27 - HE2 LYS 94 lone 0 75 - 0 - HG12 ILE 27 - HE3 LYS 94 lone 0 75 - 0 - HD3 LYS 35 - HE3 LYS 45 lone 0 74 - 0 - HD3 LYS 35 - HE2 LYS 45 lone 0 74 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 75 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 75 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 75 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 75 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 75 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 75 - 0 - HG12 ILE 27 - HE2 LYS 63 lone 0 76 - 0 - HG12 ILE 27 - HE3 LYS 63 lone 0 76 - 0 - QB ALA 79 - HE3 LYS 61 lone 0 41 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 69 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 69 - 0 - HG12 ILE 39 - HE3 LYS 61 lone 0 42 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 0 32 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 47 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 47 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 47 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 50 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 50 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 29 - 0 - Peak 2964 from cnoeabs.peaks (2.98, 2.98, 41.66 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 45 + HE3 LYS 45 OK 62 62 - 100 HE2 LYS 45 + HE2 LYS 45 OK 62 62 - 100 HE3 LYS 61 - HE3 LYS 61 OK 27 27 - 100 Peak 2965 from cnoeabs.peaks (2.98, 2.98, 41.66 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE3 LYS 45 + HE3 LYS 45 OK 63 63 - 100 HE2 LYS 45 + HE2 LYS 45 OK 63 63 - 100 HE3 LYS 61 - HE3 LYS 61 OK 28 28 - 100 Reference assignment not found: HE3 LYS 63 - HE2 LYS 63 Peak 2967 from cnoeabs.peaks (4.27, 2.98, 41.66 ppm; 5.65 A): 4 out of 49 assignments used, quality = 1.00: * HA LYS 63 + HE3 LYS 63 OK 99 100 - 99 - 6.3=73, 2937/3.0=30...(42) HA LYS 63 + HE2 LYS 63 OK 99 100 - 99 - 6.3=73, 2937/3.0=30...(42) HA LYS 63 + HE2 LYS 94 OK 62 100 - 63 - 2894=7, 3.0/2914=7...(23) HA LYS 63 + HE3 LYS 94 OK 62 100 - 63 - 2894=7, 3.0/2914=7...(23) HA LYS 45 - HE2 LYS 45 OK 41 44 - 93 - 6.2=74, 2252/3.5=11...(30) HA LYS 45 - HE3 LYS 45 OK 41 44 - 93 - 6.2=74, 2252/3.5=11...(30) HA LYS 63 - HE3 LYS 45 OK 31 77 - 39 - 2895=4, 2895/1.8=4...(14) HA LYS 63 - HE2 LYS 45 OK 31 77 - 39 - 2895=4, 2895/1.8=4...(14) HA3 GLY 85 - HE2 LYS 94 OK 22 98 - 22 - 6644/6.5=11, 6655/3.7=6...(5) HA3 GLY 85 - HE3 LYS 94 OK 22 98 - 22 - 6644/6.5=11, 6655/3.7=6...(5) HA LYS 63 - HE3 LYS 61 OK 20 50 - 40 - 2893/2.9=4, 2893/2.9=4...(13) HA LYS 45 - HE2 LYS 63 OK 12 65 - 18 - 2937/3.0=3 HA LYS 45 - HE3 LYS 63 OK 12 65 - 18 - 2937/3.0=3 HA3 GLY 85 - HE3 LYS 63 OK 11 99 - 12 - 2937/3.0=3, 6654/4.8=2...(6) HA3 GLY 85 - HE2 LYS 63 OK 11 99 - 12 - 2937/3.0=3, 6654/4.8=2...(6) HA LYS 45 - HE3 LYS 94 OK 10 64 - 16 - ~193=1, ~194=1 HA LYS 45 - HE2 LYS 94 OK 10 65 - 15 - ~193=1, ~194=1 HD2 PRO 73 - HE2 LYS 63 lone 8 100 - 8 - 2937/3.0=3 HD2 PRO 73 - HE3 LYS 63 lone 8 100 - 8 - 2937/3.0=3 HA ALA 79 - HE2 LYS 63 lone 7 100 - 7 - 2937/3.0=2 HA ALA 79 - HE3 LYS 63 lone 7 100 - 7 - 2937/3.0=2 HA LYS 45 - HE3 LYS 61 poor 7 26 - 26 - 2252/3.9=2, 2252/3.9=2...(12) HA GLU 58 - HE3 LYS 63 lone 5 99 - 5 - 2937/3.0=1 HA GLU 58 - HE2 LYS 63 lone 5 99 - 5 - 2937/3.0=1 HA3 GLY 85 - HE3 LYS 45 lone 4 74 - 6 - 6655/3.5=2 HA3 GLY 85 - HE2 LYS 45 lone 4 74 - 6 - 6655/3.5=2 HA VAL 68 - HE3 LYS 63 lone 4 71 - 5 - HA VAL 68 - HE2 LYS 63 lone 4 71 - 5 - HA ALA 79 - HE3 LYS 94 lone 3 99 - 3 - HA ALA 79 - HE2 LYS 94 lone 3 100 - 3 - HA GLU 58 - HE2 LYS 94 lone 3 99 - 3 - HA GLU 58 - HE3 LYS 94 lone 3 99 - 3 - HA ALA 79 - HE3 LYS 61 lone 3 49 - 5 - ~953=1 HA ALA 79 - HE2 LYS 45 lone 3 77 - 3 - HA ALA 79 - HE3 LYS 45 lone 3 77 - 3 - HD2 PRO 73 - HE3 LYS 94 lone 3 99 - 3 - HD2 PRO 73 - HE2 LYS 94 lone 3 100 - 3 - HA VAL 68 - HE2 LYS 94 lone 2 70 - 3 - HA VAL 68 - HE3 LYS 94 lone 2 69 - 3 - HD2 PRO 73 - HE3 LYS 45 lone 2 77 - 3 - HD2 PRO 73 - HE2 LYS 45 lone 2 77 - 3 - HA GLU 58 - HE2 LYS 45 lone 2 76 - 3 - HA GLU 58 - HE3 LYS 45 lone 2 76 - 3 - HA GLU 58 - HE3 LYS 61 lone 2 48 - 4 - HA3 GLY 85 - HE3 LYS 61 lone 2 47 - 4 - HD2 PRO 73 - HE3 LYS 61 lone 1 49 - 3 - HA VAL 68 - HE3 LYS 45 lone 1 48 - 2 - HA VAL 68 - HE2 LYS 45 lone 1 48 - 2 - HA VAL 68 - HE3 LYS 61 lone 1 29 - 3 - Peak 2968 from cnoeabs.peaks (1.88, 2.98, 41.66 ppm; 4.36 A): 4 out of 84 assignments used, quality = 1.00: HB2 LYS 63 + HE2 LYS 63 OK 99 100 - 99 - 4.8=76, 2902/3.0=22...(76) * HB2 LYS 63 + HE3 LYS 63 OK 99 100 - 99 - 4.8=76, 2902/3.0=22...(76) HB2 LYS 63 + HE3 LYS 94 OK 58 100 - 59 - 2904=7, 2904/1.8=6...(24) HB2 LYS 63 + HE2 LYS 94 OK 58 100 - 58 - 2904=7, 2904/1.8=6...(24) HB2 LYS 63 - HE2 LYS 45 OK 28 77 - 36 - 2905=4, 2905/1.8=3...(11) HB2 LYS 63 - HE3 LYS 45 OK 28 77 - 36 - 2905=4, 2905/1.8=3...(11) HB2 LEU 62 - HE2 LYS 63 OK 21 97 - 22 - 283/6.9=5, 5948/6.3=4, ~5957=1 HB2 LEU 62 - HE3 LYS 63 OK 21 97 - 22 - 283/6.9=5, 5948/6.3=4, ~5957=1 HB3 LYS 44 - HE2 LYS 45 OK 17 61 - 28 - 190/7.3=3, ~2200=1...(5) HB3 LYS 44 - HE3 LYS 45 OK 17 61 - 28 - 190/7.3=3, ~2200=1...(5) HB2 LYS 44 - HE2 LYS 45 OK 15 55 - 28 - 190/7.3=3, ~2200=1...(5) HB2 LYS 44 - HE3 LYS 45 OK 15 55 - 28 - 190/7.3=3, ~2200=1...(5) HB3 LYS 44 - HE3 LYS 61 OK 15 38 - 41 - ~2201=2, ~2200=2...(22) HB2 LYS 63 - HE3 LYS 61 OK 15 50 - 31 - 2903/2.9=3, 2903/2.9=3...(8) HB2 LYS 44 - HE3 LYS 61 OK 14 34 - 41 - ~2201=2, ~2200=2...(22) HB2 LEU 62 - HE3 LYS 94 lone 9 95 - 9 - 5964/7.2=2 HB2 LEU 62 - HE2 LYS 94 lone 9 96 - 9 - 5964/7.2=2 HB3 LYS 44 - HE2 LYS 94 lone 8 86 - 9 - HB3 LYS 44 - HE3 LYS 94 lone 8 85 - 10 - HB2 LYS 44 - HE2 LYS 94 lone 8 80 - 9 - HB2 LYS 44 - HE3 LYS 94 lone 8 79 - 9 - HB2 LEU 62 - HE3 LYS 61 poor 6 45 - 14 - ~5957=2, ~5955=2...(6) HD3 LYS 77 - HE2 LYS 63 lone 6 93 - 6 - HD3 LYS 77 - HE3 LYS 63 lone 6 93 - 6 - HB ILE 16 - HE3 LYS 63 lone 4 76 - 5 - ~4589=1, ~4603=1 HB ILE 16 - HE2 LYS 63 lone 4 76 - 5 - ~4589=1, ~4603=1 HB ILE 37 - HE3 LYS 61 poor 4 27 - 15 - ~5286=4, ~5269=2...(6) HB2 ARG 57 - HE2 LYS 63 lone 4 94 - 4 - HB3 ARG 57 - HE2 LYS 63 lone 4 94 - 4 - HB3 ARG 57 - HE3 LYS 63 lone 4 95 - 4 - HB2 ARG 57 - HE3 LYS 63 lone 4 95 - 4 - HB3 LYS 44 - HE3 LYS 63 lone 3 87 - 4 - HB3 LYS 44 - HE2 LYS 63 lone 3 87 - 4 - HB ILE 37 - HE2 LYS 94 lone 3 67 - 5 - HB ILE 37 - HE3 LYS 94 lone 3 67 - 5 - HB2 LYS 44 - HE3 LYS 63 lone 3 81 - 4 - HB2 LYS 44 - HE2 LYS 63 lone 3 81 - 4 - HB2 LEU 62 - HE3 LYS 45 lone 3 71 - 4 - HB2 LEU 62 - HE2 LYS 45 lone 3 71 - 4 - HB ILE 16 - HE2 LYS 94 lone 3 75 - 4 - HB ILE 16 - HE3 LYS 94 lone 3 75 - 4 - HB ILE 37 - HE3 LYS 63 lone 3 68 - 4 - HB ILE 37 - HE2 LYS 63 lone 3 68 - 4 - HB2 PRO 92 - HE3 LYS 63 lone 3 93 - 3 - HB2 PRO 92 - HE2 LYS 63 lone 3 93 - 3 - HB ILE 27 - HE3 LYS 63 lone 2 92 - 2 - HB ILE 27 - HE2 LYS 63 lone 2 92 - 2 - HD3 LYS 77 - HE3 LYS 45 lone 2 67 - 3 - HD3 LYS 77 - HE2 LYS 45 lone 2 67 - 3 - HB ILE 27 - HE3 LYS 94 lone 2 91 - 2 - HB ILE 27 - HE2 LYS 94 lone 2 91 - 2 - HB2 ARG 57 - HE3 LYS 94 lone 2 93 - 2 - HB3 ARG 57 - HE3 LYS 94 lone 2 93 - 2 - HB2 ARG 57 - HE2 LYS 94 lone 2 94 - 2 - HB3 ARG 57 - HE2 LYS 94 lone 2 94 - 2 - HB2 GLU 87 - HE2 LYS 94 lone 2 100 - 2 - HB2 GLU 87 - HE3 LYS 94 lone 2 99 - 2 - HB2 GLU 87 - HE3 LYS 63 lone 2 100 - 2 - HB2 GLU 87 - HE2 LYS 63 lone 2 100 - 2 - HD3 LYS 77 - HE3 LYS 94 lone 1 92 - 2 - HD3 LYS 77 - HE2 LYS 94 lone 1 93 - 2 - HB2 ARG 57 - HE3 LYS 45 lone 1 69 - 2 - HB3 ARG 57 - HE2 LYS 45 lone 1 69 - 2 - HB2 ARG 57 - HE2 LYS 45 lone 1 69 - 2 - HB3 ARG 57 - HE3 LYS 45 lone 1 69 - 2 - HB2 GLU 87 - HE3 LYS 61 lone 1 49 - 3 - 7212/7.3=1 HD3 LYS 77 - HE3 LYS 61 lone 1 42 - 3 - HB3 ARG 57 - HE3 LYS 61 lone 1 43 - 3 - HB2 ARG 57 - HE3 LYS 61 lone 1 43 - 3 - HB2 PRO 92 - HE2 LYS 94 lone 1 93 - 1 - HB2 PRO 92 - HE3 LYS 94 lone 1 92 - 1 - HB ILE 16 - HE3 LYS 61 lone 1 31 - 4 - HB ILE 37 - HE3 LYS 45 lone 1 46 - 2 - HB ILE 37 - HE2 LYS 45 lone 1 46 - 2 - HB ILE 27 - HE3 LYS 45 lone 1 66 - 2 - HB ILE 27 - HE2 LYS 45 lone 1 66 - 2 - HB2 GLU 87 - HE3 LYS 45 lone 1 77 - 1 - HB2 GLU 87 - HE2 LYS 45 lone 1 77 - 1 - HB2 PRO 92 - HE3 LYS 61 lone 1 42 - 2 - HB2 PRO 92 - HE2 LYS 45 lone 1 67 - 1 - HB2 PRO 92 - HE3 LYS 45 lone 1 67 - 1 - HB ILE 27 - HE3 LYS 61 lone 1 41 - 2 - HB ILE 16 - HE3 LYS 45 lone 1 52 - 1 - HB ILE 16 - HE2 LYS 45 lone 1 52 - 1 - Peak 2969 from cnoeabs.peaks (1.53, 2.98, 41.66 ppm; 3.31 A): 8 out of 70 assignments used, quality = 1.00: HB3 LYS 63 + HE2 LYS 63 OK 85 100 - 85 - 4.8=33, 2912/3.0=15...(41) * HB3 LYS 63 + HE3 LYS 63 OK 85 100 - 85 - 4.8=33, 2912/3.0=15...(41) HB3 LYS 94 + HE3 LYS 94 OK 80 98 - 81 - 4.9=30, 3887/3.7=16...(38) HB3 LYS 94 + HE2 LYS 94 OK 79 98 - 81 - 4.9=30, 3887/3.7=16...(38) HG2 LYS 94 + HE2 LYS 94 OK 68 75 - 90 - 3.7=73, 3881/3.0=6...(39) HG2 LYS 94 + HE3 LYS 94 OK 68 75 - 91 - 3.7=73, 3881/3.0=6...(39) HG2 LYS 45 + HE3 LYS 45 OK 63 67 - 94 - 3.5=84, 2284/3.0=9...(40) HG2 LYS 45 + HE2 LYS 45 OK 63 67 - 94 - 3.5=84, 2284/3.0=9...(40) HB3 LYS 63 - HE3 LYS 94 OK 40 100 - 40 - 1.8/2904=4, 2914=3...(17) HB3 LYS 63 - HE2 LYS 94 OK 39 100 - 40 - 1.8/2904=4, 2914=3...(17) HB3 LYS 94 - HE2 LYS 63 OK 38 99 - 39 - 1.8/3863=3, 3873=2...(14) HB3 LYS 94 - HE3 LYS 63 OK 38 99 - 39 - 1.8/3863=3, 3873/1.8=2...(14) HG2 LYS 94 - HE2 LYS 63 OK 27 76 - 36 - 2.9/3863=3, 2.9/3873=2...(15) HG2 LYS 94 - HE3 LYS 63 OK 27 76 - 36 - 2.9/3863=3, 2.9/3873=2...(15) HB3 LYS 94 - HE3 LYS 45 OK 18 74 - 24 - 3868/3.5=2, 1.8/3862=2...(9) HB3 LYS 94 - HE2 LYS 45 OK 18 74 - 24 - 3868/3.5=2, 1.8/3862=2...(9) HB3 LYS 63 - HE2 LYS 45 OK 16 77 - 21 - 1.8/2905=2, 2915=2...(7) HB3 LYS 63 - HE3 LYS 45 OK 16 77 - 21 - 1.8/2905=2, 2915=2...(7) HB3 LEU 62 - HE3 LYS 63 OK 13 100 - 13 - 5950/6.3=3, 4256/6.9=3 HB3 LEU 62 - HE2 LYS 63 OK 13 100 - 13 - 5950/6.3=3, 4256/6.9=3 HG2 LYS 45 - HE3 LYS 94 OK 11 92 - 12 - HG2 LYS 45 - HE2 LYS 94 OK 11 93 - 12 - HG2 LYS 94 - HE3 LYS 45 OK 11 52 - 21 - 2.9/3862=2, 2.9/3872=1...(4) HG2 LYS 94 - HE2 LYS 45 OK 11 52 - 21 - 2.9/3862=2, 2.9/3872=1...(4) HB3 LYS 94 - HE3 LYS 61 poor 9 47 - 20 - 3871/2.9=2, 3871/2.9=2...(4) HG13 ILE 93 - HE2 LYS 94 lone 9 98 - 9 - 3875/6.5=1, 4380/7.2=1...(4) HG13 ILE 93 - HE3 LYS 94 lone 9 98 - 9 - 3875/6.5=1, 4380/7.2=1...(4) HB3 LYS 63 - HE3 LYS 61 poor 8 50 - 17 - 2913/2.9=2, 2913/2.9=2...(5) HB3 LEU 62 - HE2 LYS 94 lone 8 100 - 8 - 5965/7.2=1 HB3 LEU 62 - HE3 LYS 94 lone 8 99 - 8 - 5965/7.2=1 HD2 LYS 86 - HE3 LYS 94 lone 8 93 - 8 - 3606/3.7=3, 3887/3.7=2 HD2 LYS 86 - HE2 LYS 94 lone 8 94 - 8 - 3606/3.7=3, 3887/3.7=2 HG3 LYS 44 - HE2 LYS 45 poor 7 48 - 16 - 192/7.3=2, ~2200=1, ~2201=1 HG3 LYS 44 - HE3 LYS 45 poor 7 48 - 16 - 192/7.3=2, ~2200=1, ~2201=1 HG3 LYS 44 - HE3 LYS 61 poor 6 29 - 22 - ~2201=2, ~2200=2...(8) HG2 LYS 45 - HE2 LYS 63 lone 6 93 - 6 - HG2 LYS 45 - HE3 LYS 63 lone 6 93 - 6 - HG2 LYS 94 - HE3 LYS 61 poor 5 31 - 18 - 2121/1.8=1, 2.9/3862=1...(4) HG3 LYS 44 - HE3 LYS 94 lone 5 69 - 6 - HG3 LYS 44 - HE2 LYS 94 lone 5 70 - 6 - HG2 LYS 45 - HE3 LYS 61 poor 4 42 - 11 - HD2 LYS 86 - HE2 LYS 63 lone 4 94 - 4 - HD2 LYS 86 - HE3 LYS 63 lone 4 95 - 4 - HB3 LEU 62 - HE3 LYS 61 lone 4 49 - 8 - HG3 LYS 41 - HE3 LYS 94 lone 3 79 - 4 - HG3 LYS 41 - HE2 LYS 94 lone 3 80 - 4 - HG3 LYS 41 - HE3 LYS 61 lone 3 34 - 8 - ~2064=2 HG3 LYS 41 - HE2 LYS 45 lone 2 55 - 4 - HG3 LYS 41 - HE3 LYS 45 lone 2 55 - 4 - HG13 ILE 93 - HE3 LYS 63 lone 2 99 - 2 - HG13 ILE 93 - HE2 LYS 63 lone 2 99 - 2 - HG3 LYS 44 - HE2 LYS 63 lone 2 71 - 3 - HG3 LYS 44 - HE3 LYS 63 lone 2 71 - 3 - HB3 LEU 62 - HE2 LYS 45 lone 2 77 - 2 - HB3 LEU 62 - HE3 LYS 45 lone 2 77 - 2 - HD2 LYS 86 - HE2 LYS 45 lone 1 69 - 2 - HD2 LYS 86 - HE3 LYS 45 lone 1 69 - 2 - HD2 LYS 86 - HE3 LYS 61 lone 1 43 - 3 - HG LEU 53 - HE2 LYS 94 lone 1 57 - 2 - HG LEU 53 - HE3 LYS 94 lone 1 56 - 2 - HG3 LYS 41 - HE3 LYS 63 lone 1 81 - 1 - HG3 LYS 41 - HE2 LYS 63 lone 1 81 - 1 - HG13 ILE 93 - HE2 LYS 45 lone 1 74 - 1 - HG13 ILE 93 - HE3 LYS 45 lone 1 74 - 1 - HG13 ILE 93 - HE3 LYS 61 lone 0 47 - 1 - HG LEU 53 - HE3 LYS 63 lone 0 57 - 1 - HG LEU 53 - HE2 LYS 63 lone 0 57 - 1 - HG LEU 53 - HE2 LYS 45 lone 0 37 - 1 - HG LEU 53 - HE3 LYS 45 lone 0 37 - 1 - HG LEU 53 - HE3 LYS 61 lone 0 22 - 1 - Peak 2970 from cnoeabs.peaks (1.43, 2.98, 41.66 ppm; 3.20 A): 6 out of 70 assignments used, quality = 1.00: HG3 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) * HG2 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 94 + HE2 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 94 + HE3 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 61 - HE3 LYS 61 OK 36 44 - 81 - 3.9=55, 2802/1.8=5...(37) HG2 LYS 61 - HE3 LYS 61 OK 35 43 - 81 - 3.9=55, 2802/1.8=5...(36) HG3 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 94 - HE2 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 94 - HE3 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 61 - HE2 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG3 LYS 61 - HE3 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2934=1 HG2 LYS 61 - HE2 LYS 63 OK 21 94 - 22 - 2941/3.0=2 HG2 LYS 61 - HE3 LYS 63 OK 21 95 - 22 - 2941/3.0=2 HG3 LYS 94 - HE2 LYS 45 OK 15 74 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 94 - HE3 LYS 45 OK 15 74 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 63 - HE2 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE3 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE3 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE2 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 61 - HE3 LYS 94 poor 10 94 - 10 - HG2 LYS 61 - HE3 LYS 94 poor 10 93 - 10 - HG3 LYS 61 - HE2 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE2 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE3 LYS 45 poor 8 70 - 11 - HG3 LYS 61 - HE2 LYS 45 poor 8 70 - 11 - HG2 LYS 61 - HE3 LYS 45 poor 8 69 - 11 - HG2 LYS 61 - HE2 LYS 45 poor 8 69 - 11 - HG2 LYS 63 - HE3 LYS 61 poor 8 50 - 16 - HG3 LYS 63 - HE3 LYS 61 poor 8 50 - 16 - HG3 LYS 94 - HE3 LYS 61 poor 7 47 - 16 - 3890/2.9=1, 3890/2.9=1, ~2121=1 HD3 LYS 86 - HE2 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HD3 LYS 86 - HE3 LYS 94 lone 5 94 - 5 - 3616/3.7=2 HG13 ILE 51 - HE2 LYS 94 lone 3 100 - 3 - HG13 ILE 51 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 63 lone 3 96 - 3 - HD3 LYS 86 - HE2 LYS 63 lone 3 96 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HE2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HE3 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 94 lone 2 73 - 2 - HB ILE 51 - HE3 LYS 94 lone 2 72 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 70 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 70 - 2 - HD3 LYS 86 - HE3 LYS 61 lone 1 44 - 3 - HG12 ILE 80 - HE3 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE2 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE3 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 85 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 85 - 1 - HG13 ILE 51 - HE2 LYS 45 lone 1 77 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 77 - 1 - HG13 ILE 51 - HE3 LYS 61 lone 1 50 - 1 - QG2 THR 67 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 0 59 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 0 59 - 1 - HB ILE 51 - HE3 LYS 45 lone 0 50 - 1 - HB ILE 51 - HE2 LYS 45 lone 0 50 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 59 - 0 - QG2 THR 67 - HE3 LYS 45 lone 0 59 - 0 - HB ILE 51 - HE3 LYS 61 lone 0 30 - 1 - QG2 THR 67 - HE3 LYS 61 lone 0 36 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 36 - 0 - Peak 2971 from cnoeabs.peaks (1.43, 2.98, 41.66 ppm; 3.20 A): 6 out of 70 assignments used, quality = 1.00: HG3 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE2 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) * HG3 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG2 LYS 63 + HE3 LYS 63 OK 94 100 - 94 - 3.5=78, 2940/3.0=11...(47) HG3 LYS 94 + HE2 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 94 + HE3 LYS 94 OK 86 98 - 87 - 3.7=66, 3890/3.0=9...(36) HG3 LYS 61 - HE3 LYS 61 OK 36 44 - 81 - 3.9=55, 2802/1.8=5...(37) HG2 LYS 61 - HE3 LYS 61 OK 35 43 - 81 - 3.9=55, 2802/1.8=5...(36) HG3 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE3 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG2 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 63 - HE2 LYS 94 OK 33 100 - 33 - 2.9/2904=3, 2.9/2914=2...(10) HG3 LYS 94 - HE2 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 94 - HE3 LYS 63 OK 32 99 - 32 - 2.9/3863=2, 2940/3.0=2...(12) HG3 LYS 61 - HE2 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2924=1 HG3 LYS 61 - HE3 LYS 63 OK 21 96 - 22 - 2941/3.0=2, 2934=1 HG2 LYS 61 - HE2 LYS 63 OK 21 94 - 22 - 2941/3.0=2 HG2 LYS 61 - HE3 LYS 63 OK 21 95 - 22 - 2941/3.0=2 HG3 LYS 94 - HE2 LYS 45 OK 15 74 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 94 - HE3 LYS 45 OK 15 74 - 20 - 2.9/3862=1, 2.9/3872=1 HG3 LYS 63 - HE2 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 63 - HE3 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE3 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG2 LYS 63 - HE2 LYS 45 OK 14 77 - 18 - 2.9/2905=1, 2.9/2915=1 HG3 LYS 61 - HE3 LYS 94 poor 10 94 - 10 - HG2 LYS 61 - HE3 LYS 94 poor 10 93 - 10 - HG3 LYS 61 - HE2 LYS 94 poor 10 95 - 10 - HG2 LYS 61 - HE2 LYS 94 poor 10 94 - 10 - HG3 LYS 61 - HE3 LYS 45 poor 8 70 - 11 - HG3 LYS 61 - HE2 LYS 45 poor 8 70 - 11 - HG2 LYS 61 - HE3 LYS 45 poor 8 69 - 11 - HG2 LYS 61 - HE2 LYS 45 poor 8 69 - 11 - HG2 LYS 63 - HE3 LYS 61 poor 8 50 - 16 - HG3 LYS 63 - HE3 LYS 61 poor 8 50 - 16 - HG3 LYS 94 - HE3 LYS 61 poor 7 47 - 16 - 3890/2.9=1, 3890/2.9=1, ~2121=1 HD3 LYS 86 - HE2 LYS 94 lone 5 95 - 5 - 3616/3.7=2 HD3 LYS 86 - HE3 LYS 94 lone 5 94 - 5 - 3616/3.7=2 HG13 ILE 51 - HE2 LYS 94 lone 3 100 - 3 - HG13 ILE 51 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 63 lone 3 96 - 3 - HD3 LYS 86 - HE2 LYS 63 lone 3 96 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 3 100 - 3 - HG13 ILE 51 - HE2 LYS 63 lone 3 100 - 3 - HB ILE 51 - HE3 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 63 lone 2 73 - 3 - HB ILE 51 - HE2 LYS 94 lone 2 73 - 2 - HB ILE 51 - HE3 LYS 94 lone 2 72 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 70 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 70 - 2 - HD3 LYS 86 - HE3 LYS 61 lone 1 44 - 3 - HG12 ILE 80 - HE3 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE2 LYS 63 lone 1 85 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE3 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 85 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 85 - 1 - HG13 ILE 51 - HE2 LYS 45 lone 1 77 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 77 - 1 - HG13 ILE 51 - HE3 LYS 61 lone 1 50 - 1 - QG2 THR 67 - HE2 LYS 94 lone 1 84 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 84 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 0 59 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 0 59 - 1 - HB ILE 51 - HE3 LYS 45 lone 0 50 - 1 - HB ILE 51 - HE2 LYS 45 lone 0 50 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 59 - 0 - QG2 THR 67 - HE3 LYS 45 lone 0 59 - 0 - HB ILE 51 - HE3 LYS 61 lone 0 30 - 1 - QG2 THR 67 - HE3 LYS 61 lone 0 36 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 36 - 0 - Peak 2972 from cnoeabs.peaks (1.59, 2.98, 41.66 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 63 + HE3 LYS 63 OK 100 100 - 100 - 3.0=100 HD2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 - 3.0=100 Peak 2973 from cnoeabs.peaks (1.68, 2.98, 41.66 ppm; 2.51 A): 6 out of 126 assignments used, quality = 1.00: HD2 LYS 94 + HE2 LYS 94 OK 76 100 - 76 - 3.0=61, 3891/3.7=4...(20) HD3 LYS 94 + HE2 LYS 94 OK 76 100 - 76 - 3.0=61, 3891/3.7=4...(20) HD3 LYS 94 + HE3 LYS 94 OK 76 99 - 76 - 3.0=61, 3890/3.7=4...(20) HD2 LYS 94 + HE3 LYS 94 OK 76 99 - 76 - 3.0=61, 3890/3.7=4...(20) HD3 LYS 63 + HE2 LYS 63 OK 72 100 - 72 - 3.0=62, 3.9/2904=2...(10) * HD3 LYS 63 + HE3 LYS 63 OK 72 100 - 72 - 3.0=62, 3.9/2904=2...(10) HD3 LYS 45 - HE2 LYS 45 OK 41 57 - 72 - 3.0=60, 2284/3.5=3...(15) HD3 LYS 45 - HE3 LYS 45 OK 41 57 - 72 - 3.0=60, 2284/3.5=3...(15) HD2 LYS 45 - HE2 LYS 45 OK 39 53 - 73 - 3.0=60, 2284/3.5=3...(15) HD2 LYS 45 - HE3 LYS 45 OK 39 53 - 73 - 3.0=60, 2284/3.5=3...(15) HD3 LYS 61 - HE3 LYS 61 OK 36 50 - 72 - 2.9=63, 2812/1.8=3...(12) HD2 LYS 61 - HE3 LYS 61 OK 36 50 - 72 - 2.9=63, 2812/1.8=3...(12) HD3 LYS 94 - HE2 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD2 LYS 94 - HE2 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD3 LYS 94 - HE3 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD2 LYS 94 - HE3 LYS 63 OK 20 100 - 20 - 3.4/3863=1 HD3 LYS 63 - HE3 LYS 94 OK 11 100 - 12 - 3.9/2904=1, 3.9/2914=1 HD3 LYS 63 - HE2 LYS 94 OK 11 100 - 11 - 3.9/2904=1, 3.9/2914=1 HB3 LYS 61 - HE3 LYS 61 OK 11 31 - 35 - 5.0=12, ~2772=2...(12) HD2 LYS 61 - HE2 LYS 63 OK 10 100 - 10 - HD3 LYS 61 - HE2 LYS 63 OK 10 100 - 10 - HD2 LYS 61 - HE3 LYS 63 OK 10 100 - 10 - HD3 LYS 61 - HE3 LYS 63 OK 10 100 - 10 - HD3 LYS 94 - HE2 LYS 45 lone 8 77 - 10 - HD2 LYS 94 - HE3 LYS 45 lone 8 77 - 10 - HD2 LYS 94 - HE2 LYS 45 lone 8 77 - 10 - HD3 LYS 94 - HE3 LYS 45 lone 8 77 - 10 - HB3 LYS 61 - HE2 LYS 63 lone 7 76 - 10 - HB3 LYS 61 - HE3 LYS 63 lone 7 76 - 10 - HD3 LYS 61 - HE3 LYS 94 lone 6 100 - 6 - HD2 LYS 61 - HE3 LYS 94 lone 6 100 - 6 - HD3 LYS 61 - HE2 LYS 94 lone 6 100 - 6 - HD2 LYS 61 - HE2 LYS 94 lone 6 100 - 6 - HD2 LYS 44 - HE3 LYS 45 lone 5 77 - 7 - HD2 LYS 44 - HE2 LYS 45 lone 5 77 - 7 - HD3 LYS 44 - HE3 LYS 45 lone 5 77 - 7 - HD3 LYS 44 - HE2 LYS 45 lone 5 77 - 7 - HD2 LYS 44 - HE3 LYS 61 lone 5 50 - 9 - HD3 LYS 44 - HE3 LYS 61 lone 5 50 - 9 - HD2 LYS 61 - HE3 LYS 45 lone 4 77 - 5 - HD3 LYS 61 - HE2 LYS 45 lone 4 77 - 5 - HD3 LYS 61 - HE3 LYS 45 lone 4 77 - 5 - HD2 LYS 61 - HE2 LYS 45 lone 4 77 - 5 - HD2 LYS 94 - HE3 LYS 61 lone 4 49 - 8 - HD3 LYS 94 - HE3 LYS 61 lone 4 49 - 8 - HD3 LYS 45 - HE3 LYS 94 lone 4 81 - 5 - HD3 LYS 45 - HE2 LYS 94 lone 4 82 - 4 - HD3 LYS 63 - HE3 LYS 45 lone 4 77 - 4 - HD3 LYS 63 - HE2 LYS 45 lone 4 77 - 4 - HD2 LYS 44 - HE3 LYS 94 lone 3 100 - 3 - HB3 LYS 61 - HE3 LYS 94 lone 3 75 - 5 - HD2 LYS 44 - HE2 LYS 94 lone 3 100 - 3 - HD3 LYS 44 - HE3 LYS 94 lone 3 100 - 3 - HD3 LYS 44 - HE2 LYS 94 lone 3 100 - 3 - HD2 LYS 45 - HE3 LYS 94 lone 3 77 - 4 - HD2 LYS 45 - HE2 LYS 94 lone 3 78 - 4 - HB3 LYS 61 - HE2 LYS 94 lone 3 75 - 4 - HD3 LYS 45 - HE2 LYS 63 lone 3 83 - 4 - HD3 LYS 45 - HE3 LYS 63 lone 3 83 - 4 - HD2 LYS 45 - HE2 LYS 63 lone 3 78 - 4 - HD2 LYS 45 - HE3 LYS 63 lone 3 78 - 4 - HB3 LYS 61 - HE3 LYS 45 lone 3 52 - 5 - HB3 LYS 61 - HE2 LYS 45 lone 3 52 - 5 - HD3 LYS 63 - HE3 LYS 61 lone 2 50 - 5 - HD3 LYS 35 - HE3 LYS 61 lone 2 49 - 4 - HD2 LYS 44 - HE2 LYS 63 lone 2 100 - 2 - HD2 LYS 44 - HE3 LYS 63 lone 2 100 - 2 - HD3 LYS 44 - HE2 LYS 63 lone 2 100 - 2 - HD3 LYS 44 - HE3 LYS 63 lone 2 100 - 2 - HG2 ARG 57 - HE3 LYS 63 lone 1 100 - 1 - HG2 ARG 57 - HE2 LYS 63 lone 1 100 - 1 - HG3 ARG 57 - HE3 LYS 63 lone 1 100 - 1 - HG3 ARG 57 - HE2 LYS 63 lone 1 100 - 1 - HD2 LYS 77 - HE3 LYS 63 lone 1 81 - 2 - HD2 LYS 77 - HE2 LYS 63 lone 1 81 - 2 - HD3 LYS 45 - HE3 LYS 61 lone 1 35 - 4 - HD2 LYS 45 - HE3 LYS 61 lone 1 33 - 4 - QB ALA 79 - HE3 LYS 63 lone 1 95 - 1 - QB ALA 79 - HE2 LYS 63 lone 1 94 - 1 - HD3 LYS 35 - HE2 LYS 94 lone 1 100 - 1 - HD3 LYS 35 - HE3 LYS 94 lone 1 99 - 1 - HB ILE 40 - HE2 LYS 94 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 94 lone 1 100 - 1 - QB ALA 79 - HE2 LYS 94 lone 1 94 - 1 - QB ALA 79 - HE3 LYS 94 lone 1 93 - 1 - HG3 ARG 57 - HE2 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HE2 LYS 94 lone 1 100 - 1 - HG3 ARG 57 - HE3 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HE3 LYS 94 lone 1 100 - 1 - HD3 LYS 35 - HE3 LYS 63 lone 1 100 - 1 - HD3 LYS 35 - HE2 LYS 63 lone 1 100 - 1 - HB ILE 40 - HE3 LYS 63 lone 1 100 - 1 - HB ILE 40 - HE2 LYS 63 lone 1 100 - 1 - HG12 ILE 39 - HE3 LYS 94 lone 1 95 - 1 - HG12 ILE 39 - HE2 LYS 94 lone 1 96 - 1 - QB ALA 79 - HE3 LYS 45 lone 0 69 - 1 - QB ALA 79 - HE2 LYS 45 lone 0 69 - 1 - HD2 LYS 77 - HE3 LYS 45 lone 0 55 - 1 - HD2 LYS 77 - HE2 LYS 45 lone 0 55 - 1 - HD2 LYS 77 - HE2 LYS 94 lone 0 80 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 79 - 0 - HG12 ILE 39 - HE3 LYS 63 lone 0 97 - 0 - HG12 ILE 39 - HE2 LYS 63 lone 0 97 - 0 - HG12 ILE 27 - HE2 LYS 94 lone 0 75 - 0 - HG12 ILE 27 - HE3 LYS 94 lone 0 75 - 0 - HD3 LYS 35 - HE3 LYS 45 lone 0 77 - 0 - HD3 LYS 35 - HE2 LYS 45 lone 0 77 - 0 - HB ILE 40 - HE3 LYS 45 lone 0 77 - 0 - HB ILE 40 - HE2 LYS 45 lone 0 77 - 0 - HG2 ARG 57 - HE2 LYS 45 lone 0 77 - 0 - HG2 ARG 57 - HE3 LYS 45 lone 0 77 - 0 - HG3 ARG 57 - HE3 LYS 45 lone 0 77 - 0 - HG3 ARG 57 - HE2 LYS 45 lone 0 77 - 0 - HG12 ILE 27 - HE3 LYS 63 lone 0 76 - 0 - HG12 ILE 27 - HE2 LYS 63 lone 0 76 - 0 - QB ALA 79 - HE3 LYS 61 lone 0 43 - 1 - HG12 ILE 39 - HE3 LYS 45 lone 0 71 - 0 - HG12 ILE 39 - HE2 LYS 45 lone 0 71 - 0 - HG12 ILE 39 - HE3 LYS 61 lone 0 45 - 1 - HD2 LYS 77 - HE3 LYS 61 lone 0 34 - 1 - HG3 ARG 57 - HE3 LYS 61 lone 0 50 - 0 - HG2 ARG 57 - HE3 LYS 61 lone 0 50 - 0 - HB ILE 40 - HE3 LYS 61 lone 0 50 - 0 - HG12 ILE 27 - HE3 LYS 45 lone 0 52 - 0 - HG12 ILE 27 - HE2 LYS 45 lone 0 52 - 0 - HG12 ILE 27 - HE3 LYS 61 lone 0 31 - 0 - Peak 2974 from cnoeabs.peaks (2.98, 2.98, 41.66 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 45 + HE2 LYS 45 OK 64 64 - 100 HE3 LYS 45 + HE3 LYS 45 OK 64 64 - 100 HE3 LYS 61 - HE3 LYS 61 OK 29 29 - 100 Reference assignment not found: HE2 LYS 63 - HE3 LYS 63 Peak 2975 from cnoeabs.peaks (2.98, 2.98, 41.66 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 45 + HE2 LYS 45 OK 66 66 - 100 HE3 LYS 45 + HE3 LYS 45 OK 66 66 - 100 HE3 LYS 61 - HE3 LYS 61 OK 30 30 - 100 Peak 2976 from cnoeabs.peaks (8.33, 3.74, 46.08 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 64 + HA2 GLY 64 OK 100 100 - 100 - 3.0=100 Peak 2977 from cnoeabs.peaks (3.74, 3.74, 46.08 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 64 + HA2 GLY 64 OK 100 100 - 100 HA2 GLY 60 - HA2 GLY 60 OK 29 29 - 100 Peak 2978 from cnoeabs.peaks (4.24, 3.74, 46.08 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 64 + HA2 GLY 64 OK 100 100 - 100 - 1.8=100 Peak 2979 from cnoeabs.peaks (8.33, 4.24, 46.08 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 64 + HA3 GLY 64 OK 100 100 - 100 - 3.0=100 Peak 2980 from cnoeabs.peaks (3.74, 4.24, 46.08 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 64 + HA3 GLY 64 OK 100 100 - 100 - 1.8=100 Peak 2981 from cnoeabs.peaks (4.24, 4.24, 46.08 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 64 + HA3 GLY 64 OK 100 100 - 100 HA3 GLY 85 - HA3 GLY 85 OK 38 38 - 100 Peak 2982 from cnoeabs.peaks (7.15, 5.51, 52.75 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + HA GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2983 from cnoeabs.peaks (5.51, 5.51, 52.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + HA GLU 65 OK 100 100 - 100 Peak 2984 from cnoeabs.peaks (1.98, 5.51, 52.75 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + HA GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2985 from cnoeabs.peaks (1.82, 5.51, 52.75 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 65 + HA GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2986 from cnoeabs.peaks (2.19, 5.51, 52.75 ppm; 3.70 A): 1 out of 9 assignments used, quality = 0.95: * HG2 GLU 65 + HA GLU 65 OK 95 100 - 95 - 3.9=88, 1.8/2987=25...(11) HB VAL 30 - HA GLU 65 OK 20 100 - 20 - 897/3.0=3, 2.1/6000=3...(8) HG3 GLU 87 - HA GLU 65 lone 9 100 - 9 - 7176/4739=2, 897/3.0=1...(4) HB2 PHE 88 - HA GLU 65 lone 4 92 - 4 - 4809/6001=1 HB3 PRO 92 - HA GLU 65 lone 4 76 - 5 - 4.1/6014=2 HB3 GLN 48 - HA GLU 65 lone 4 100 - 4 - 305/3.6=1 HB2 PRO 49 - HA GLU 65 lone 3 63 - 5 - HG3 PRO 92 - HA GLU 65 lone 2 85 - 3 - HB2 PRO 73 - HA GLU 65 lone 1 60 - 1 - Peak 2987 from cnoeabs.peaks (2.14, 5.51, 52.75 ppm; 3.64 A): 2 out of 7 assignments used, quality = 0.96: * HG3 GLU 65 + HA GLU 65 OK 93 100 - 93 - 3.9=84, 1.8/2986=24...(11) HB2 GLN 19 + HA GLU 65 OK 44 73 - 61 - 2.9/7138=19, 3.0/4738=15...(9) HB2 GLU 58 - HA GLU 65 lone 1 100 - 1 - HB3 LYS 35 - HA GLU 65 lone 1 73 - 2 - HB3 GLU 58 - HA GLU 65 lone 1 83 - 1 - HB2 GLN 36 - HA GLU 65 lone 1 68 - 1 - HB2 PRO 73 - HA GLU 65 lone 1 65 - 1 - Peak 2988 from cnoeabs.peaks (7.15, 1.98, 33.99 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + HB2 GLU 65 OK 100 100 - 100 - 3.7=100 Peak 2989 from cnoeabs.peaks (5.51, 1.98, 33.99 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + HB2 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2990 from cnoeabs.peaks (1.98, 1.98, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + HB2 GLU 65 OK 100 100 - 100 Peak 2991 from cnoeabs.peaks (1.82, 1.98, 33.99 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 65 + HB2 GLU 65 OK 100 100 - 100 - 1.8=100 Peak 2992 from cnoeabs.peaks (2.19, 1.98, 33.99 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 65 + HB2 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2993 from cnoeabs.peaks (2.14, 1.98, 33.99 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 65 + HB2 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2994 from cnoeabs.peaks (7.15, 1.82, 33.99 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + HB3 GLU 65 OK 100 100 - 100 - 3.7=100 Peak 2995 from cnoeabs.peaks (5.51, 1.82, 33.99 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + HB3 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2996 from cnoeabs.peaks (1.98, 1.82, 33.99 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + HB3 GLU 65 OK 100 100 - 100 - 1.8=100 Peak 2997 from cnoeabs.peaks (1.82, 1.82, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 65 + HB3 GLU 65 OK 100 100 - 100 Peak 2998 from cnoeabs.peaks (2.19, 1.82, 33.99 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 65 + HB3 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 2999 from cnoeabs.peaks (2.14, 1.82, 33.99 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 65 + HB3 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 3000 from cnoeabs.peaks (7.15, 2.19, 36.27 ppm; 4.68 A): 1 out of 10 assignments used, quality = 0.98: * H GLU 65 + HG2 GLU 65 OK 98 100 - 98 - 4.8=96, 3.0/2986=28...(6) QD TYR 54 - HG2 GLU 65 OK 37 63 - 59 - ~6017=11, 4702/1.8=10...(11) HZ PHE 97 - HG2 GLU 65 OK 17 99 - 16 - 3006/1.8=4, ~3006=2...(8) QE PHE 97 - HG2 GLU 65 OK 13 81 - 16 - 3006/1.8=3, ~3006=3...(7) H GLU 65 - HG3 GLU 87 lone 10 97 - 10 - 897=3, 3.0/2986=3...(4) HH2 TRP 82 - HG2 GLU 65 lone 9 97 - 9 - 3006/1.8=2, 2.4/6011=2...(4) QD TYR 54 - HG3 GLU 87 lone 4 57 - 6 - 4697/3.8=1 HZ PHE 97 - HG3 GLU 87 lone 2 95 - 2 - QE PHE 97 - HG3 GLU 87 lone 2 74 - 3 - HH2 TRP 82 - HG3 GLU 87 lone 1 92 - 1 - Peak 3001 from cnoeabs.peaks (5.51, 2.19, 36.27 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + HG2 GLU 65 OK 100 100 - 100 - 3.9=100 Peak 3002 from cnoeabs.peaks (1.98, 2.19, 36.27 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + HG2 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 3003 from cnoeabs.peaks (1.82, 2.19, 36.27 ppm; 2.57 A): 1 out of 1 assignment used, quality = 0.67: HG2 GLU 87 + HG3 GLU 87 OK 67 67 - 100 - 1.8=100 Reference assignment not found: HB3 GLU 65 - HG2 GLU 65 Peak 3004 from cnoeabs.peaks (2.19, 2.19, 36.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 65 + HG2 GLU 65 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 96 96 - 100 Peak 3005 from cnoeabs.peaks (2.14, 2.19, 36.27 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 65 + HG2 GLU 65 OK 100 100 - 100 - 1.8=100 Peak 3006 from cnoeabs.peaks (7.15, 2.14, 36.27 ppm; 4.74 A): 1 out of 5 assignments used, quality = 0.99: * H GLU 65 + HG3 GLU 65 OK 99 100 - 99 - 4.8=99 QD TYR 54 - HG3 GLU 65 OK 38 63 - 61 - 3.7/6007=13, ~6017=12...(11) HZ PHE 97 - HG3 GLU 65 OK 18 99 - 18 - 3000/1.8=3, 4769/3.0=2...(9) QE PHE 97 - HG3 GLU 65 OK 14 81 - 17 - 3000/1.8=3, 5.6/6007=2...(8) HH2 TRP 82 - HG3 GLU 65 lone 9 97 - 9 - 2.4/6012=2, 3000/1.8=2...(4) Peak 3007 from cnoeabs.peaks (5.51, 2.14, 36.27 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 65 + HG3 GLU 65 OK 100 100 - 100 - 3.9=100 Peak 3008 from cnoeabs.peaks (1.98, 2.14, 36.27 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 65 + HG3 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 3009 from cnoeabs.peaks (1.82, 2.14, 36.27 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 65 + HG3 GLU 65 OK 100 100 - 100 - 3.0=100 Peak 3010 from cnoeabs.peaks (2.19, 2.14, 36.27 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 65 + HG3 GLU 65 OK 100 100 - 100 - 1.8=100 Peak 3011 from cnoeabs.peaks (2.14, 2.14, 36.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 65 + HG3 GLU 65 OK 100 100 - 100 Peak 3012 from cnoeabs.peaks (8.92, 5.59, 50.67 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + HA ALA 66 OK 100 100 - 100 - 3.0=100 Peak 3013 from cnoeabs.peaks (5.59, 5.59, 50.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 66 + HA ALA 66 OK 100 100 - 100 Peak 3014 from cnoeabs.peaks (0.96, 5.59, 50.67 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 66 + HA ALA 66 OK 100 100 - 100 - 2.1=100 Peak 3015 from cnoeabs.peaks (8.92, 0.96, 23.80 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + QB ALA 66 OK 100 100 - 100 - 2.9=100 Peak 3016 from cnoeabs.peaks (5.59, 0.96, 23.80 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 66 + QB ALA 66 OK 100 100 - 100 - 2.1=100 Peak 3017 from cnoeabs.peaks (0.96, 0.96, 23.80 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QB ALA 66 + QB ALA 66 OK 100 100 - 100 QG1 VAL 95 - QG1 VAL 95 OK 45 45 - 100 Peak 3018 from cnoeabs.peaks (8.43, 5.75, 59.23 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H THR 67 + HA THR 67 OK 100 100 - 100 - 3.0=100 Peak 3019 from cnoeabs.peaks (5.75, 5.75, 59.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 67 + HA THR 67 OK 100 100 - 100 Peak 3020 from cnoeabs.peaks (4.10, 5.75, 59.23 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 67 + HA THR 67 OK 100 100 - 100 - 3.0=100 Peak 3021 from cnoeabs.peaks (1.45, 5.75, 59.23 ppm; 3.16 A): 1 out of 10 assignments used, quality = 0.98: * QG2 THR 67 + HA THR 67 OK 98 100 - 98 - 3.2=95, 4.1/311=18...(15) HB ILE 51 - HA THR 67 OK 40 100 - 40 - 4.4/5774=9, ~6103=6...(13) HG13 ILE 51 - HA THR 67 OK 23 85 - 27 - ~6103=4, 313/3.6=4...(10) HG12 ILE 80 - HA THR 67 OK 16 100 - 16 - 6503/4.4=4, 905/3.0=2 QB ALA 31 - HA THR 67 OK 13 97 - 13 - 5102/6158=3, 313/3.6=2...(4) HG3 LYS 63 - HA THR 67 lone 5 85 - 6 - HG2 LYS 63 - HA THR 67 lone 5 85 - 6 - HB2 LYS 41 - HA THR 67 lone 5 89 - 5 - HG3 LYS 94 - HA THR 67 lone 4 97 - 4 - HG2 LYS 44 - HA THR 67 lone 2 83 - 2 - Peak 3022 from cnoeabs.peaks (8.43, 4.10, 70.88 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H THR 67 + HB THR 67 OK 100 100 - 100 - 3.9=100 Peak 3023 from cnoeabs.peaks (5.75, 4.10, 70.88 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 67 + HB THR 67 OK 100 100 - 100 - 3.0=100 Peak 3024 from cnoeabs.peaks (4.10, 4.10, 70.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 67 + HB THR 67 OK 100 100 - 100 Peak 3025 from cnoeabs.peaks (1.45, 4.10, 70.88 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 67 + HB THR 67 OK 100 100 - 100 - 2.1=100 Peak 3026 from cnoeabs.peaks (8.43, 1.45, 22.14 ppm; 3.58 A): 2 out of 6 assignments used, quality = 0.92: * H THR 67 + QG2 THR 67 OK 89 100 - 89 - 4.0=72, 3.0/3027=33...(13) H THR 15 + QG2 THR 67 OK 26 63 - 42 - 3.0/6082=20, 4.0/4570=13...(6) H ASP 71 - QG2 THR 67 poor 9 76 - 12 - 3.6/6080=3, 3.9/6090=2...(4) H GLY 60 - QG2 THR 67 lone 7 99 - 7 - 264/4.1=2, 5935=1 H GLY 90 - QG2 THR 67 lone 2 99 - 2 - H ILE 93 - QG2 THR 67 lone 1 60 - 2 - Peak 3027 from cnoeabs.peaks (5.75, 1.45, 22.14 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.92: * HA THR 67 + QG2 THR 67 OK 92 100 - 92 - 3.2=81, 311/4.1=16...(15) Peak 3028 from cnoeabs.peaks (4.10, 1.45, 22.14 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 67 + QG2 THR 67 OK 100 100 - 100 - 2.1=100 Peak 3029 from cnoeabs.peaks (1.45, 1.45, 22.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 67 + QG2 THR 67 OK 100 100 - 100 Peak 3030 from cnoeabs.peaks (8.09, 4.25, 61.01 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 68 + HA VAL 68 OK 100 100 - 100 - 3.0=100 Peak 3031 from cnoeabs.peaks (4.25, 4.25, 61.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 68 + HA VAL 68 OK 100 100 - 100 Peak 3032 from cnoeabs.peaks (1.35, 4.25, 61.01 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 68 + HA VAL 68 OK 100 100 - 100 - 3.0=100 Peak 3033 from cnoeabs.peaks (0.29, 4.25, 61.01 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 68 + HA VAL 68 OK 100 100 - 100 - 3.2=100 Peak 3034 from cnoeabs.peaks (0.01, 4.25, 61.01 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 68 + HA VAL 68 OK 100 100 - 100 - 3.2=100 Peak 3035 from cnoeabs.peaks (8.09, 1.35, 34.59 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 68 + HB VAL 68 OK 100 100 - 100 - 4.0=100 Peak 3036 from cnoeabs.peaks (4.25, 1.35, 34.59 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 68 + HB VAL 68 OK 100 100 - 100 - 3.0=100 Peak 3037 from cnoeabs.peaks (1.35, 1.35, 34.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 68 + HB VAL 68 OK 100 100 - 100 Peak 3038 from cnoeabs.peaks (0.29, 1.35, 34.59 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 68 + HB VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3039 from cnoeabs.peaks (0.01, 1.35, 34.59 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 68 + HB VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3040 from cnoeabs.peaks (8.09, 0.29, 19.51 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.93: * H VAL 68 + QG2 VAL 68 OK 93 100 - 93 - 4.0=78, 908/2.1=28...(16) H THR 59 - QG2 VAL 68 lone 6 78 - 7 - 4.0/6126=2, 4.6/6170=1 H ASN 13 - QG2 VAL 68 lone 5 99 - 5 - H GLU 23 - QG2 VAL 68 lone 5 60 - 8 - 4.6/62=3, 4.5/6169=1 H SER 75 - QG2 VAL 68 lone 4 68 - 6 - 4.6/6152=2 H ILE 39 - QG2 VAL 68 lone 4 57 - 7 - 4.7/6171=3 Peak 3041 from cnoeabs.peaks (4.25, 0.29, 19.51 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 68 + QG2 VAL 68 OK 100 100 - 100 - 3.2=100 Peak 3042 from cnoeabs.peaks (1.35, 0.29, 19.51 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 68 + QG2 VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3043 from cnoeabs.peaks (0.29, 0.29, 19.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 68 + QG2 VAL 68 OK 100 100 - 100 Peak 3044 from cnoeabs.peaks (0.01, 0.29, 19.51 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 68 + QG2 VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3045 from cnoeabs.peaks (8.09, 0.01, 20.65 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 68 + QG1 VAL 68 OK 100 100 - 100 - 4.0=100 Peak 3046 from cnoeabs.peaks (4.25, 0.01, 20.65 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 68 + QG1 VAL 68 OK 100 100 - 100 - 3.2=100 Peak 3047 from cnoeabs.peaks (1.35, 0.01, 20.65 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 68 + QG1 VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3048 from cnoeabs.peaks (0.29, 0.01, 20.65 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 68 + QG1 VAL 68 OK 100 100 - 100 - 2.1=100 Peak 3049 from cnoeabs.peaks (0.01, 0.01, 20.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 68 + QG1 VAL 68 OK 100 100 - 100 Peak 3050 from cnoeabs.peaks (7.68, 5.24, 57.27 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H SER 69 + HA SER 69 OK 100 100 - 100 - 3.0=100 Peak 3051 from cnoeabs.peaks (5.24, 5.24, 57.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 69 + HA SER 69 OK 100 100 - 100 Peak 3052 from cnoeabs.peaks (3.70, 5.24, 57.27 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 69 + HA SER 69 OK 100 100 - 100 - 3.0=100 Peak 3053 from cnoeabs.peaks (3.63, 5.24, 57.27 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 69 + HA SER 69 OK 100 100 - 100 - 3.0=100 Peak 3054 from cnoeabs.peaks (7.68, 3.70, 64.22 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.98: * H SER 69 + HB2 SER 69 OK 98 100 - 98 - 4.0=93, 914/1.8=43...(10) H GLN 48 - HB2 SER 69 lone 6 78 - 7 - 3058/1.8=2 HD21 ASN 43 - HB2 SER 69 lone 2 63 - 2 - Peak 3055 from cnoeabs.peaks (5.24, 3.70, 64.22 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 69 + HB2 SER 69 OK 100 100 - 100 - 3.0=100 Peak 3056 from cnoeabs.peaks (3.70, 3.70, 64.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 69 + HB2 SER 69 OK 100 100 - 100 Peak 3057 from cnoeabs.peaks (3.63, 3.70, 64.22 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 69 + HB2 SER 69 OK 100 100 - 100 - 1.8=100 Peak 3058 from cnoeabs.peaks (7.68, 3.63, 64.22 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.96: * H SER 69 + HB3 SER 69 OK 96 100 - 96 - 4.0=89, 3054/1.8=34...(11) H GLN 48 - HB3 SER 69 lone 5 78 - 7 - 3054/1.8=2 HD21 ASN 43 - HB3 SER 69 lone 1 63 - 2 - Peak 3059 from cnoeabs.peaks (5.24, 3.63, 64.22 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 69 + HB3 SER 69 OK 100 100 - 100 - 3.0=100 Peak 3060 from cnoeabs.peaks (3.70, 3.63, 64.22 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 69 + HB3 SER 69 OK 100 100 - 100 - 1.8=100 Peak 3061 from cnoeabs.peaks (3.63, 3.63, 64.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 69 + HB3 SER 69 OK 100 100 - 100 Peak 3062 from cnoeabs.peaks (8.96, 4.82, 58.05 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + HA PHE 70 OK 100 100 - 100 - 3.0=100 Peak 3063 from cnoeabs.peaks (4.82, 4.82, 58.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 70 + HA PHE 70 OK 100 100 - 100 Peak 3064 from cnoeabs.peaks (3.44, 4.82, 58.05 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 70 + HA PHE 70 OK 100 100 - 100 - 3.0=100 Peak 3065 from cnoeabs.peaks (2.78, 4.82, 58.05 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 70 + HA PHE 70 OK 100 100 - 100 - 3.0=100 Peak 3069 from cnoeabs.peaks (7.05, 4.82, 58.05 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + HA PHE 70 OK 100 100 - 100 - 3.7=100 Peak 3070 from cnoeabs.peaks (8.96, 3.44, 41.65 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + HB2 PHE 70 OK 100 100 - 100 - 4.1=100 Peak 3071 from cnoeabs.peaks (4.82, 3.44, 41.65 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 70 + HB2 PHE 70 OK 100 100 - 100 - 3.0=100 Peak 3072 from cnoeabs.peaks (3.44, 3.44, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 70 + HB2 PHE 70 OK 100 100 - 100 Peak 3073 from cnoeabs.peaks (2.78, 3.44, 41.65 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 70 + HB2 PHE 70 OK 100 100 - 100 - 1.8=100 Peak 3076 from cnoeabs.peaks (6.97, 3.44, 41.65 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 70 + HB2 PHE 70 OK 100 100 - 100 - 4.4=100 Peak 3077 from cnoeabs.peaks (7.05, 3.44, 41.65 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + HB2 PHE 70 OK 100 100 - 100 - 2.5=100 Peak 3078 from cnoeabs.peaks (8.96, 2.78, 41.65 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + HB3 PHE 70 OK 100 100 - 100 - 4.1=100 Peak 3079 from cnoeabs.peaks (4.82, 2.78, 41.65 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 70 + HB3 PHE 70 OK 100 100 - 100 - 3.0=100 Peak 3080 from cnoeabs.peaks (3.44, 2.78, 41.65 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 70 + HB3 PHE 70 OK 100 100 - 100 - 1.8=100 Peak 3081 from cnoeabs.peaks (2.78, 2.78, 41.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 70 + HB3 PHE 70 OK 100 100 - 100 HB3 ASP 84 + HB3 ASP 84 OK 99 99 - 100 Peak 3084 from cnoeabs.peaks (6.97, 2.78, 41.65 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 70 + HB3 PHE 70 OK 100 100 - 100 - 4.4=100 Peak 3085 from cnoeabs.peaks (7.05, 2.78, 41.65 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + HB3 PHE 70 OK 100 100 - 100 - 2.5=100 Peak 3096 from cnoeabs.peaks (3.44, 6.97, 130.95 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 70 + QE PHE 70 OK 100 100 - 100 - 4.4=100 HB2 PHE 83 + QE PHE 83 OK 76 76 - 100 - 4.4=100 Peak 3097 from cnoeabs.peaks (2.78, 6.97, 130.95 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 70 + QE PHE 70 OK 100 100 - 100 - 4.4=100 Peak 3100 from cnoeabs.peaks (6.97, 6.97, 130.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QE PHE 70 + QE PHE 70 OK 100 100 - 100 QE PHE 83 + QE PHE 83 OK 63 63 - 100 QE PHE 88 + QE PHE 88 OK 57 57 - 100 Peak 3101 from cnoeabs.peaks (7.05, 6.97, 130.95 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + QE PHE 70 OK 100 100 - 100 - 2.2=100 Peak 3102 from cnoeabs.peaks (8.96, 7.05, 131.38 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + QD PHE 70 OK 100 100 - 100 - 4.6=100 Peak 3104 from cnoeabs.peaks (3.44, 7.05, 131.38 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.5=100 Peak 3105 from cnoeabs.peaks (2.78, 7.05, 131.38 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.5=100 Peak 3108 from cnoeabs.peaks (6.97, 7.05, 131.38 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.2=100 Peak 3109 from cnoeabs.peaks (7.05, 7.05, 131.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + QD PHE 70 OK 100 100 - 100 Peak 3110 from cnoeabs.peaks (8.45, 4.41, 57.16 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 - 100 - 3.0=100 Peak 3111 from cnoeabs.peaks (4.41, 4.41, 57.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HA ASP 71 OK 100 100 - 100 Peak 3112 from cnoeabs.peaks (2.59, 4.41, 57.16 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA ASP 71 OK 100 100 - 100 - 3.0=100 Peak 3113 from cnoeabs.peaks (2.38, 4.41, 57.16 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 - 100 - 3.0=100 Peak 3114 from cnoeabs.peaks (8.45, 2.59, 41.97 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.93: * H ASP 71 + HB2 ASP 71 OK 85 100 - 85 - 3.9=65, 926/1.8=31...(11) H ASP 72 + HB2 ASP 71 OK 43 65 - 66 - 4.5=44, 4.6/925=14...(8) H THR 42 + HB2 ASP 71 OK 22 81 - 27 - 4.6/6243=8, 3.6/6250=8...(4) H THR 67 - HB2 ASP 71 lone 8 76 - 10 - 6084=2, 4.0/6090=2, 3.9/6087=2 H THR 15 - HB2 ASP 71 lone 5 100 - 5 - 3118/1.8=1 H ILE 93 - HB2 ASP 71 lone 4 99 - 4 - H PHE 83 - HB2 ASP 71 lone 2 63 - 4 - 4.0/6276=1 H GLY 90 - HB2 ASP 71 lone 2 90 - 2 - 4.6/6276=1 H GLY 60 - HB2 ASP 71 lone 2 89 - 2 - H ALA 98 - HB2 ASP 71 lone 2 73 - 2 - H LEU 21 - HB2 ASP 71 lone 2 87 - 2 - Peak 3115 from cnoeabs.peaks (4.41, 2.59, 41.97 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HB2 ASP 71 OK 100 100 - 100 - 3.0=100 Peak 3116 from cnoeabs.peaks (2.59, 2.59, 41.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB2 ASP 71 OK 100 100 - 100 Peak 3117 from cnoeabs.peaks (2.38, 2.59, 41.97 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB2 ASP 71 OK 100 100 - 100 - 1.8=100 Peak 3118 from cnoeabs.peaks (8.45, 2.38, 41.97 ppm; 3.19 A): 3 out of 11 assignments used, quality = 0.90: * H ASP 71 + HB3 ASP 71 OK 77 100 - 77 - 3.9=53, 925/1.8=30...(10) H ASP 72 + HB3 ASP 71 OK 39 65 - 60 - 4.5=36, 333/1.8=15...(7) H THR 42 + HB3 ASP 71 OK 25 81 - 32 - 4.6/6272=7, 3.6/7081=7...(8) H THR 15 - HB3 ASP 71 lone 5 100 - 5 - H ILE 93 - HB3 ASP 71 lone 3 99 - 3 - H THR 67 - HB3 ASP 71 lone 3 76 - 3 - 6084/1.8=2 H PHE 83 - HB3 ASP 71 lone 2 63 - 3 - H GLY 90 - HB3 ASP 71 lone 2 90 - 2 - H ALA 98 - HB3 ASP 71 lone 2 73 - 2 - H GLY 60 - HB3 ASP 71 lone 1 89 - 2 - H LEU 21 - HB3 ASP 71 lone 1 87 - 2 - Peak 3119 from cnoeabs.peaks (4.41, 2.38, 41.97 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 - 100 - 3.0=100 Peak 3120 from cnoeabs.peaks (2.59, 2.38, 41.97 ppm; 2.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB3 ASP 71 OK 100 100 - 100 - 1.8=100 Peak 3121 from cnoeabs.peaks (2.38, 2.38, 41.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB3 ASP 71 OK 100 100 - 100 Peak 3122 from cnoeabs.peaks (8.48, 5.39, 50.28 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 72 + HA ASP 72 OK 100 100 - 100 - 3.0=100 Peak 3123 from cnoeabs.peaks (5.39, 5.39, 50.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 72 + HA ASP 72 OK 100 100 - 100 Peak 3124 from cnoeabs.peaks (2.82, 5.39, 50.28 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 72 + HA ASP 72 OK 100 100 - 100 - 3.0=100 Peak 3125 from cnoeabs.peaks (2.72, 5.39, 50.28 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 72 + HA ASP 72 OK 100 100 - 100 - 3.0=100 Peak 3126 from cnoeabs.peaks (8.48, 2.82, 42.63 ppm; 3.82 A): 3 out of 9 assignments used, quality = 0.94: * H ASP 72 + HB2 ASP 72 OK 90 100 - 90 - 4.1=83, 930/1.8=21...(6) H ALA 98 + HB2 ASP 72 OK 35 100 - 36 - 3130/1.8=8, 2.9/7007=8...(8) H ASP 71 + HB2 ASP 72 OK 12 65 - 18 - 4.6/929=14, 3130/1.8=2 H PHE 83 - HB2 ASP 72 lone 9 100 - 9 - 3130/1.8=2, 4.0/6288=2 H TRP 82 - HB2 ASP 72 lone 6 90 - 6 - 374/1.8=2, 929=1, 1202/4.8=1 H LEU 21 - HB2 ASP 72 lone 5 98 - 5 - 2.9/6289=1, 3130/1.8=1 H THR 15 - HB2 ASP 72 lone 5 78 - 6 - 4559/1.8=2, 4.6/6288=2 H THR 42 - HB2 ASP 72 lone 2 99 - 2 - H ILE 93 - HB2 ASP 72 lone 1 81 - 2 - Peak 3127 from cnoeabs.peaks (5.39, 2.82, 42.63 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 72 + HB2 ASP 72 OK 100 100 - 100 - 3.0=100 Peak 3128 from cnoeabs.peaks (2.82, 2.82, 42.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 72 + HB2 ASP 72 OK 100 100 - 100 Peak 3129 from cnoeabs.peaks (2.72, 2.82, 42.63 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 72 + HB2 ASP 72 OK 100 100 - 100 - 1.8=100 Peak 3130 from cnoeabs.peaks (8.48, 2.72, 42.63 ppm; 3.80 A): 3 out of 9 assignments used, quality = 0.95: * H ASP 72 + HB3 ASP 72 OK 90 100 - 90 - 4.1=82, 929/1.8=30...(6) H ALA 98 + HB3 ASP 72 OK 39 100 - 39 - 3126/1.8=8, 3.0/7006=7...(10) H PHE 83 + HB3 ASP 72 OK 11 100 - 11 - 4.0/6295=2, 3126/1.8=2...(4) H ASP 71 - HB3 ASP 72 poor 8 65 - 13 - 4.6/930=10, 3126/1.8=3 H TRP 82 - HB3 ASP 72 lone 8 90 - 9 - 374=2, 3126/1.8=1...(4) H THR 15 - HB3 ASP 72 lone 7 78 - 9 - 4559=2, 4.6/6295=2...(4) H LEU 21 - HB3 ASP 72 lone 6 98 - 6 - 2.9/6294=1, 3126/1.8=1 H THR 42 - HB3 ASP 72 lone 3 99 - 3 - H ILE 93 - HB3 ASP 72 lone 1 81 - 2 - Peak 3131 from cnoeabs.peaks (5.39, 2.72, 42.63 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 72 + HB3 ASP 72 OK 100 100 - 100 - 3.0=100 Peak 3132 from cnoeabs.peaks (2.82, 2.72, 42.63 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 72 + HB3 ASP 72 OK 100 100 - 100 - 1.8=100 Peak 3133 from cnoeabs.peaks (2.72, 2.72, 42.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 72 + HB3 ASP 72 OK 100 100 - 100 Peak 3134 from cnoeabs.peaks (4.40, 4.28, 50.80 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 3.6=100 Peak 3135 from cnoeabs.peaks (2.16, 4.28, 50.80 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3136 from cnoeabs.peaks (2.30, 4.28, 50.80 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3137 from cnoeabs.peaks (2.36, 4.28, 50.80 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3138 from cnoeabs.peaks (1.95, 4.28, 50.80 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3139 from cnoeabs.peaks (4.28, 4.28, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HD2 PRO 73 OK 100 100 - 100 Peak 3140 from cnoeabs.peaks (3.88, 4.28, 50.80 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HD2 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3141 from cnoeabs.peaks (4.40, 3.88, 50.80 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 3.6=100 Peak 3142 from cnoeabs.peaks (2.16, 3.88, 50.80 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3143 from cnoeabs.peaks (2.30, 3.88, 50.80 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3144 from cnoeabs.peaks (2.36, 3.88, 50.80 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3145 from cnoeabs.peaks (1.95, 3.88, 50.80 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3146 from cnoeabs.peaks (4.28, 3.88, 50.80 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HD3 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3147 from cnoeabs.peaks (3.88, 3.88, 50.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HD3 PRO 73 OK 100 100 - 100 Peak 3148 from cnoeabs.peaks (4.40, 4.40, 66.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HA PRO 73 OK 100 100 - 100 Peak 3149 from cnoeabs.peaks (2.16, 4.40, 66.80 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HA PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3150 from cnoeabs.peaks (2.30, 4.40, 66.80 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HA PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3151 from cnoeabs.peaks (2.36, 4.40, 66.80 ppm; 3.58 A): 1 out of 6 assignments used, quality = 0.95: * HG2 PRO 73 + HA PRO 73 OK 95 100 - 95 - 3.8=81, 1.8/3152=25...(14) HB3 PRO 74 - HA PRO 73 OK 32 78 - 40 - 5.0=38, 6286/4.8=4 HG2 GLN 48 - HA PRO 73 OK 24 95 - 25 - 5604=7, 1.8/5601=6...(10) HB3 ASP 71 - HA PRO 73 lone 5 83 - 7 - 6286/4.8=3, 6274/2.5=2 HG3 MET 50 - HA PRO 73 lone 5 78 - 6 - 5.0/7052=2 HG2 GLU 23 - HA PRO 73 lone 1 81 - 1 - Peak 3152 from cnoeabs.peaks (1.95, 4.40, 66.80 ppm; 3.68 A): 1 out of 9 assignments used, quality = 0.97: * HG3 PRO 73 + HA PRO 73 OK 97 100 - 97 - 3.8=88, 1.8/3151=22...(15) HB2 LYS 77 - HA PRO 73 OK 19 63 - 30 - 1.8/4456=7, 3.7/1178=7...(7) HB VAL 95 - HA PRO 73 lone 5 100 - 4 - HG3 PRO 49 - HA PRO 73 lone 4 97 - 4 - 6287/4.8=1, 3.8/5631=1 HB2 LYS 45 - HA PRO 73 lone 4 100 - 4 - 4.0/798=2 HB3 LYS 45 - HA PRO 73 lone 4 100 - 4 - 4.0/798=2 HG2 GLN 19 - HA PRO 73 lone 1 71 - 1 - HB2 GLU 65 - HA PRO 73 lone 1 65 - 1 - HB3 GLU 28 - HA PRO 73 lone 1 63 - 1 - Peak 3153 from cnoeabs.peaks (4.28, 4.40, 66.80 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HA PRO 73 OK 100 100 - 100 - 3.6=100 Peak 3154 from cnoeabs.peaks (3.88, 4.40, 66.80 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HA PRO 73 OK 100 100 - 100 - 3.6=100 Peak 3155 from cnoeabs.peaks (4.40, 2.16, 29.26 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3156 from cnoeabs.peaks (2.16, 2.16, 29.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HB2 PRO 73 OK 100 100 - 100 Peak 3157 from cnoeabs.peaks (2.30, 2.16, 29.26 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3158 from cnoeabs.peaks (2.36, 2.16, 29.26 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3160 from cnoeabs.peaks (4.28, 2.16, 29.26 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3161 from cnoeabs.peaks (3.88, 2.16, 29.26 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3162 from cnoeabs.peaks (4.40, 2.30, 29.26 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3163 from cnoeabs.peaks (2.16, 2.30, 29.26 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3164 from cnoeabs.peaks (2.30, 2.30, 29.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HB3 PRO 73 OK 100 100 - 100 Peak 3165 from cnoeabs.peaks (2.36, 2.30, 29.26 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3166 from cnoeabs.peaks (1.95, 2.30, 29.26 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3167 from cnoeabs.peaks (4.28, 2.30, 29.26 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3168 from cnoeabs.peaks (3.88, 2.30, 29.26 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HB3 PRO 73 OK 100 100 - 100 - 3.0=100 Peak 3169 from cnoeabs.peaks (4.40, 2.36, 28.04 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 3.8=100 Peak 3170 from cnoeabs.peaks (2.16, 2.36, 28.04 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3171 from cnoeabs.peaks (2.30, 2.36, 28.04 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3172 from cnoeabs.peaks (2.36, 2.36, 28.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HG2 PRO 73 OK 100 100 - 100 Peak 3173 from cnoeabs.peaks (1.95, 2.36, 28.04 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3174 from cnoeabs.peaks (4.28, 2.36, 28.04 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3175 from cnoeabs.peaks (3.88, 2.36, 28.04 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HG2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3176 from cnoeabs.peaks (4.40, 1.95, 28.04 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 3.8=100 Peak 3177 from cnoeabs.peaks (2.16, 1.95, 28.04 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3178 from cnoeabs.peaks (2.30, 1.95, 28.04 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3179 from cnoeabs.peaks (2.36, 1.95, 28.04 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 1.8=100 Peak 3180 from cnoeabs.peaks (1.95, 1.95, 28.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 73 + HG3 PRO 73 OK 100 100 - 100 Peak 3181 from cnoeabs.peaks (4.28, 1.95, 28.04 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3182 from cnoeabs.peaks (3.88, 1.95, 28.04 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 73 + HG3 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 3183 from cnoeabs.peaks (4.40, 3.69, 50.29 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 3.6=100 HA PRO 73 + HD2 PRO 74 OK 99 99 - 100 - 2.5=100 Peak 3184 from cnoeabs.peaks (1.84, 3.69, 50.29 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3185 from cnoeabs.peaks (2.38, 3.69, 50.29 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3186 from cnoeabs.peaks (2.10, 3.69, 50.29 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3187 from cnoeabs.peaks (1.98, 3.69, 50.29 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 2.3=100 HG2 PRO 49 + HD3 PRO 49 OK 53 53 - 100 - 2.3=100 Peak 3188 from cnoeabs.peaks (3.69, 3.69, 50.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 74 + HD2 PRO 74 OK 100 100 - 100 HD3 PRO 49 + HD3 PRO 49 OK 49 49 - 100 Peak 3189 from cnoeabs.peaks (3.47, 3.69, 50.29 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HD2 PRO 74 OK 100 100 - 100 - 1.8=100 Peak 3190 from cnoeabs.peaks (4.40, 3.47, 50.29 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 3.6=100 HA PRO 73 + HD3 PRO 74 OK 99 99 - 100 - 2.5=100 Peak 3191 from cnoeabs.peaks (1.84, 3.47, 50.29 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3192 from cnoeabs.peaks (2.38, 3.47, 50.29 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3193 from cnoeabs.peaks (2.10, 3.47, 50.29 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3194 from cnoeabs.peaks (1.98, 3.47, 50.29 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3195 from cnoeabs.peaks (3.69, 3.47, 50.29 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HD3 PRO 74 OK 100 100 - 100 - 1.8=100 Peak 3196 from cnoeabs.peaks (3.47, 3.47, 50.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HD3 PRO 74 OK 100 100 - 100 Peak 3197 from cnoeabs.peaks (4.40, 4.40, 65.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + HA PRO 74 OK 100 100 - 100 Peak 3198 from cnoeabs.peaks (1.84, 4.40, 65.89 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HA PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3199 from cnoeabs.peaks (2.38, 4.40, 65.89 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HA PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3200 from cnoeabs.peaks (2.10, 4.40, 65.89 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.92: * HG2 PRO 74 + HA PRO 74 OK 82 100 - 82 - 3.8=73, 1.8/3201=21...(6) HB3 LYS 77 + HA PRO 74 OK 55 100 - 56 - 1.8/3201=15, 4.7/4457=13...(9) HB2 GLN 19 - HA PRO 74 lone 2 99 - 2 - HB2 GLN 36 - HA PRO 74 lone 2 100 - 2 - HB2 GLU 58 - HA PRO 74 lone 2 68 - 3 - 338/3.5=2 HB2 GLU 28 - HA PRO 74 lone 1 60 - 2 - Peak 3201 from cnoeabs.peaks (1.98, 4.40, 65.89 ppm; 3.16 A): 2 out of 8 assignments used, quality = 0.82: * HG3 PRO 74 + HA PRO 74 OK 67 100 - 67 - 3.8=55, 1.8/3200=17...(6) HB2 LYS 77 + HA PRO 74 OK 47 99 - 47 - 1.8/3200=12, 4.7/4457=11...(9) HB VAL 25 - HA PRO 74 lone 3 98 - 3 - HG2 PRO 49 - HA PRO 74 lone 3 85 - 4 - 2.3/6332=1 HG2 GLN 19 - HA PRO 74 lone 2 98 - 2 - HB2 GLU 65 - HA PRO 74 lone 2 99 - 2 - HB3 GLU 28 - HA PRO 74 lone 2 99 - 1 - HB2 GLU 23 - HA PRO 74 lone 1 81 - 1 - Peak 3202 from cnoeabs.peaks (3.69, 4.40, 65.89 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HA PRO 74 OK 100 100 - 100 - 3.6=100 Peak 3203 from cnoeabs.peaks (3.47, 4.40, 65.89 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HA PRO 74 OK 100 100 - 100 - 3.6=100 Peak 3204 from cnoeabs.peaks (4.40, 1.84, 30.96 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3205 from cnoeabs.peaks (1.84, 1.84, 30.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HB2 PRO 74 OK 100 100 - 100 Peak 3206 from cnoeabs.peaks (2.38, 1.84, 30.96 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 1.8=100 Peak 3207 from cnoeabs.peaks (2.10, 1.84, 30.96 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3208 from cnoeabs.peaks (1.98, 1.84, 30.96 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3209 from cnoeabs.peaks (3.69, 1.84, 30.96 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3210 from cnoeabs.peaks (3.47, 1.84, 30.96 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HB2 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3211 from cnoeabs.peaks (4.40, 2.38, 30.96 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3212 from cnoeabs.peaks (1.84, 2.38, 30.96 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 1.8=100 Peak 3213 from cnoeabs.peaks (2.38, 2.38, 30.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HB3 PRO 74 OK 100 100 - 100 Peak 3214 from cnoeabs.peaks (2.10, 2.38, 30.96 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3215 from cnoeabs.peaks (1.98, 2.38, 30.96 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3216 from cnoeabs.peaks (3.69, 2.38, 30.96 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3217 from cnoeabs.peaks (3.47, 2.38, 30.96 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HB3 PRO 74 OK 100 100 - 100 - 3.0=100 Peak 3218 from cnoeabs.peaks (4.40, 2.10, 28.21 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 3.8=100 Peak 3219 from cnoeabs.peaks (1.84, 2.10, 28.21 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3220 from cnoeabs.peaks (2.38, 2.10, 28.21 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3221 from cnoeabs.peaks (2.10, 2.10, 28.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 74 + HG2 PRO 74 OK 100 100 - 100 Peak 3222 from cnoeabs.peaks (1.98, 2.10, 28.21 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 1.8=100 Peak 3223 from cnoeabs.peaks (3.69, 2.10, 28.21 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3224 from cnoeabs.peaks (3.47, 2.10, 28.21 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HG2 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3225 from cnoeabs.peaks (4.40, 1.98, 28.21 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 3.8=100 Peak 3226 from cnoeabs.peaks (1.84, 1.98, 28.21 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3227 from cnoeabs.peaks (2.38, 1.98, 28.21 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3228 from cnoeabs.peaks (2.10, 1.98, 28.21 ppm; 2.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 1.8=100 HB2 GLU 28 - HB3 GLU 28 OK 42 42 - 100 - 1.8=100 Peak 3229 from cnoeabs.peaks (1.98, 1.98, 28.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 74 + HG3 PRO 74 OK 100 100 - 100 HB3 GLU 28 + HB3 GLU 28 OK 79 79 - 100 Peak 3230 from cnoeabs.peaks (3.69, 1.98, 28.21 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3231 from cnoeabs.peaks (3.47, 1.98, 28.21 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 74 + HG3 PRO 74 OK 100 100 - 100 - 2.3=100 Peak 3232 from cnoeabs.peaks (8.06, 4.02, 61.55 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + HA SER 75 OK 100 100 - 100 - 2.9=100 Peak 3233 from cnoeabs.peaks (4.02, 4.02, 61.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 75 + HA SER 75 OK 100 100 - 100 Peak 3234 from cnoeabs.peaks (3.04, 4.02, 61.55 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 75 + HA SER 75 OK 100 100 - 100 - 3.0=100 Peak 3235 from cnoeabs.peaks (3.88, 4.02, 61.55 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 75 + HA SER 75 OK 100 100 - 100 - 3.0=100 Peak 3236 from cnoeabs.peaks (8.06, 3.04, 62.72 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + HB2 SER 75 OK 100 100 - 100 - 4.0=100 Peak 3237 from cnoeabs.peaks (4.02, 3.04, 62.72 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 75 + HB2 SER 75 OK 100 100 - 100 - 3.0=100 Peak 3238 from cnoeabs.peaks (3.04, 3.04, 62.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 75 + HB2 SER 75 OK 100 100 - 100 Peak 3239 from cnoeabs.peaks (3.88, 3.04, 62.72 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 75 + HB2 SER 75 OK 100 100 - 100 - 1.8=100 Peak 3240 from cnoeabs.peaks (8.06, 3.88, 62.72 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.98: * H SER 75 + HB3 SER 75 OK 98 100 - 98 - 4.0=95, 933/1.8=32...(9) H VAL 68 - HB3 SER 75 lone 5 68 - 8 - 4.0/6146=4, 342/4.6=2 H THR 59 - HB3 SER 75 lone 3 100 - 3 - 342/4.6=1 Peak 3241 from cnoeabs.peaks (4.02, 3.88, 62.72 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 75 + HB3 SER 75 OK 100 100 - 100 - 3.0=100 Peak 3242 from cnoeabs.peaks (3.04, 3.88, 62.72 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 75 + HB3 SER 75 OK 100 100 - 100 - 1.8=100 Peak 3243 from cnoeabs.peaks (3.88, 3.88, 62.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 75 + HB3 SER 75 OK 100 100 - 100 Peak 3244 from cnoeabs.peaks (7.44, 3.60, 54.83 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + HA ALA 76 OK 100 100 - 100 - 3.0=100 Peak 3245 from cnoeabs.peaks (3.60, 3.60, 54.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 76 + HA ALA 76 OK 100 100 - 100 Peak 3246 from cnoeabs.peaks (1.60, 3.60, 54.83 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 76 + HA ALA 76 OK 100 100 - 100 - 2.1=100 Peak 3247 from cnoeabs.peaks (7.44, 1.60, 17.70 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + QB ALA 76 OK 100 100 - 100 - 2.9=100 Peak 3248 from cnoeabs.peaks (3.60, 1.60, 17.70 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 76 + QB ALA 76 OK 100 100 - 100 - 2.1=100 Peak 3249 from cnoeabs.peaks (1.60, 1.60, 17.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 76 + QB ALA 76 OK 100 100 - 100 Peak 3250 from cnoeabs.peaks (7.20, 3.79, 58.58 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3251 from cnoeabs.peaks (3.79, 3.79, 58.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HA LYS 77 OK 100 100 - 100 Peak 3252 from cnoeabs.peaks (1.98, 3.79, 58.58 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3253 from cnoeabs.peaks (2.11, 3.79, 58.58 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3254 from cnoeabs.peaks (1.57, 3.79, 58.58 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 77 + HA LYS 77 OK 95 100 - 95 - 3.8=76, 3.0/3311=18...(25) HG3 LYS 77 + HA LYS 77 OK 95 100 - 95 - 3.8=76, 3.0/3311=18...(25) HG3 LYS 44 - HA LYS 77 OK 14 93 - 15 - 3281=3, 4312/3.6=2...(7) HD2 LYS 63 - HA LYS 77 OK 10 68 - 15 - 3.9/3257=3, 3.0/6414=2...(5) HB3 PRO 49 - HA LYS 77 lone 8 100 - 8 - 5630/3.0=1, 6502/4471=1 HB3 GLU 87 - HA LYS 77 lone 3 98 - 3 - HD2 LYS 86 - HA LYS 77 lone 2 68 - 3 - Peak 3255 from cnoeabs.peaks (1.57, 3.79, 58.58 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 77 + HA LYS 77 OK 95 100 - 95 - 3.8=76, 3.0/3311=18...(25) HG2 LYS 77 + HA LYS 77 OK 95 100 - 95 - 3.8=76, 3.0/3311=18...(25) HG3 LYS 44 - HA LYS 77 OK 14 92 - 15 - 3281=3, 4312/3.6=2...(7) HD2 LYS 63 - HA LYS 77 OK 11 71 - 15 - 3.9/3257=3, 3.0/6414=2...(5) HB3 PRO 49 - HA LYS 77 lone 8 99 - 8 - 5630/3.0=1, 6502/4471=1 HB3 GLU 87 - HA LYS 77 lone 3 97 - 3 - HD2 LYS 86 - HA LYS 77 lone 2 65 - 3 - Peak 3256 from cnoeabs.peaks (1.70, 3.79, 58.58 ppm; 3.83 A): 2 out of 17 assignments used, quality = 0.97: * HD2 LYS 77 + HA LYS 77 OK 89 100 - 89 - 4.6=57, 1.8/3311=29...(18) HB ILE 80 + HA LYS 77 OK 71 87 - 82 - 4471=25, 3.2/6420=22...(20) HD3 LYS 63 - HA LYS 77 OK 18 81 - 23 - 3.0/6414=3, 3.0/6414=3...(8) HD3 LYS 44 - HA LYS 77 OK 15 83 - 18 - 355/3.6=2, 3.0/3254=2...(7) HD2 LYS 44 - HA LYS 77 OK 14 81 - 18 - 3.0/3254=2, 355/3.6=2...(8) HD2 LYS 45 - HA LYS 77 OK 12 100 - 11 - 3301=2, 355/3.6=1...(4) HD3 LYS 45 - HA LYS 77 OK 11 100 - 11 - 3301=2, 1.8/3301=1...(4) HG12 ILE 39 - HA LYS 77 OK 11 97 - 12 - 4.6/4468=3, 3.8/5364=2 HD2 LYS 61 - HA LYS 77 lone 8 81 - 9 - 355/3.6=1 HD3 LYS 61 - HA LYS 77 lone 8 81 - 9 - 355/3.6=1 HB2 LEU 53 - HA LYS 77 lone 7 87 - 8 - ~4907=2 HB ILE 40 - HA LYS 77 lone 7 83 - 8 - 2.1/6418=2, 3.2/2040=2 HD3 LYS 94 - HA LYS 77 lone 3 71 - 5 - HD2 LYS 94 - HA LYS 77 lone 3 71 - 5 - HG2 ARG 57 - HA LYS 77 lone 3 83 - 3 - HG3 ARG 57 - HA LYS 77 lone 3 78 - 3 - HD3 LYS 35 - HA LYS 77 lone 2 89 - 2 - Peak 3257 from cnoeabs.peaks (1.87, 3.79, 58.58 ppm; 3.89 A): 3 out of 13 assignments used, quality = 0.94: * HD3 LYS 77 + HA LYS 77 OK 89 100 - 89 - 4.6=60, 1.8/4470=16...(22) HB2 LYS 63 + HA LYS 77 OK 31 93 - 33 - 7101/3.0=8, 2902/3.8=4...(13) HB ILE 37 + HA LYS 77 OK 25 96 - 27 - 2.1/6418=5, 356/3.6=5...(8) HB ILE 16 - HA LYS 77 OK 18 98 - 19 - 2.1/6418=5, ~6416=3...(6) HB3 LYS 44 - HA LYS 77 OK 16 100 - 16 - 945/3.0=2, 2.9/3254=2...(8) HB2 LYS 44 - HA LYS 77 OK 16 99 - 16 - 945/3.0=2, 2.9/3254=2...(8) HB ILE 27 - HA LYS 77 lone 5 100 - 5 - HB2 LYS 61 - HA LYS 77 lone 4 60 - 6 - 3.0/6414=1, 3.0/6414=1 HB2 GLU 87 - HA LYS 77 lone 4 89 - 4 - HB2 LEU 62 - HA LYS 77 lone 3 71 - 4 - 3.1/6418=1 HB2 ARG 57 - HA LYS 77 lone 3 65 - 4 - HB3 ARG 57 - HA LYS 77 lone 3 65 - 4 - HB2 PRO 92 - HA LYS 77 lone 2 100 - 2 - Peak 3260 from cnoeabs.peaks (7.20, 1.98, 32.15 ppm; 3.40 A): 1 out of 8 assignments used, quality = 0.93: * H LYS 77 + HB2 LYS 77 OK 93 100 - 93 - 3.7=75, 941/1.8=29...(18) QD TYR 54 - HB2 LYS 77 OK 22 71 - 32 - 3270/1.8=5, 4703=4...(12) HD22 ASN 14 - HB2 LYS 77 OK 18 98 - 19 - 3270/1.8=5, 3310/3.7=2...(7) HD22 ASN 43 - HB2 LYS 77 lone 9 100 - 8 - 3270/1.8=2, 3310/3.7=1 H LYS 77 - HB VAL 25 lone 6 87 - 6 - 940=2 QD TYR 54 - HB VAL 25 lone 4 55 - 8 - ~1544=2, 2.2/1539=2, ~1549=2 HD22 ASN 43 - HB VAL 25 lone 1 87 - 1 - HD22 ASN 14 - HB VAL 25 lone 1 82 - 1 - Peak 3261 from cnoeabs.peaks (3.79, 1.98, 32.15 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3262 from cnoeabs.peaks (1.98, 1.98, 32.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 HB VAL 25 + HB VAL 25 OK 75 75 - 100 Peak 3263 from cnoeabs.peaks (2.11, 1.98, 32.15 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 3264 from cnoeabs.peaks (1.57, 1.98, 32.15 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 2.9=100 HG3 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3265 from cnoeabs.peaks (1.57, 1.98, 32.15 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 2.9=100 HG2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3266 from cnoeabs.peaks (1.70, 1.98, 32.15 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3267 from cnoeabs.peaks (1.87, 1.98, 32.15 ppm; 3.35 A): 2 out of 26 assignments used, quality = 0.93: * HD3 LYS 77 + HB2 LYS 77 OK 90 100 - 90 - 3.7=73, 3311/3.0=17...(27) HB2 LYS 63 + HB2 LYS 77 OK 28 93 - 30 - 7101=7, 1.8/7208=4...(10) HB2 LEU 62 - HB VAL 25 OK 16 55 - 30 - ~4902=7, 3.1/4898=5...(10) HB ILE 27 - HB VAL 25 OK 12 87 - 13 - 4962/4907=3, 3.2/4983=2...(7) HB ILE 37 - HB2 LYS 77 OK 11 96 - 12 - 356/4.7=3, 3257/3.0=2...(5) HB2 LYS 63 - HB VAL 25 poor 10 76 - 13 - 7101=3, ~4900=2, ~4906=2...(5) HB3 LYS 44 - HB2 LYS 77 lone 8 100 - 8 - 3257/3.0=2, 945/3.7=1, 356/4.7=1 HB2 LYS 44 - HB2 LYS 77 lone 8 99 - 8 - 3257/3.0=2, 945/3.7=1, 356/4.7=1 HB ILE 16 - HB2 LYS 77 lone 8 98 - 8 - ~6418=2, 3257/3.0=2...(4) HB ILE 16 - HB VAL 25 lone 6 82 - 7 - ~4896=1 HB ILE 27 - HB2 LYS 77 lone 5 100 - 5 - HB ILE 37 - HB VAL 25 lone 4 79 - 5 - 7160/4.0=1 HD3 LYS 77 - HB VAL 25 lone 2 87 - 3 - HB2 LEU 62 - HB2 LYS 77 lone 2 71 - 3 - HB2 GLU 87 - HB2 LYS 77 lone 2 89 - 2 - HB2 LYS 61 - HB2 LYS 77 lone 1 60 - 2 - HB2 PRO 92 - HB2 LYS 77 lone 1 100 - 1 - HB2 ARG 57 - HB2 LYS 77 lone 1 65 - 2 - HB3 ARG 57 - HB2 LYS 77 lone 1 65 - 2 - HB2 PRO 92 - HB VAL 25 lone 1 87 - 1 - HB3 LYS 44 - HB VAL 25 lone 1 86 - 1 - HB2 LYS 44 - HB VAL 25 lone 1 84 - 1 - HB2 GLU 87 - HB VAL 25 lone 1 71 - 1 - HB2 ARG 57 - HB VAL 25 lone 0 50 - 1 - HB3 ARG 57 - HB VAL 25 lone 0 50 - 1 - HB2 LYS 61 - HB VAL 25 lone 0 46 - 1 - Peak 3270 from cnoeabs.peaks (7.20, 2.11, 32.15 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.94: * H LYS 77 + HB3 LYS 77 OK 94 100 - 94 - 3.7=77, 940/1.8=26...(18) QD TYR 54 - HB3 LYS 77 OK 19 71 - 27 - 3260/1.8=5, ~5840=3...(11) HD22 ASN 14 - HB3 LYS 77 OK 18 98 - 18 - 3260/1.8=4, 3310/3.7=2...(7) HD22 ASN 43 - HB3 LYS 77 lone 8 100 - 8 - 3260/1.8=2, 3310/3.7=1 Peak 3271 from cnoeabs.peaks (3.79, 2.11, 32.15 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3272 from cnoeabs.peaks (1.98, 2.11, 32.15 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 3273 from cnoeabs.peaks (2.11, 2.11, 32.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 Peak 3274 from cnoeabs.peaks (1.57, 2.11, 32.15 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 2.9=100 HG3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3275 from cnoeabs.peaks (1.57, 2.11, 32.15 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 2.9=100 HG2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3276 from cnoeabs.peaks (1.70, 2.11, 32.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3277 from cnoeabs.peaks (1.87, 2.11, 32.15 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3280 from cnoeabs.peaks (7.20, 1.57, 24.86 ppm; 3.90 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 77 + HG2 LYS 77 OK 93 100 - 93 - 4.9=49, 941/2.9=27...(23) H LYS 77 + HG3 LYS 77 OK 93 100 - 93 - 4.9=49, 941/2.9=27...(23) QD TYR 54 - HG2 LYS 77 OK 34 71 - 48 - 2.5/5838=7, 2.5/5843=6...(17) QD TYR 54 - HG3 LYS 77 OK 34 71 - 48 - 2.5/5838=7, 2.5/5843=5...(17) HD22 ASN 14 - HG3 LYS 77 OK 21 98 - 21 - 3270/2.9=4, 3260/2.9=4...(6) HD22 ASN 14 - HG2 LYS 77 OK 21 98 - 21 - 3270/2.9=4, 3260/2.9=4...(6) H LYS 77 - HG3 LYS 44 OK 17 88 - 19 - 942=3, 4.6/4312=2...(8) HD22 ASN 43 - HG2 LYS 77 lone 10 100 - 9 - 3270/2.9=2, 3260/2.9=2 HD22 ASN 43 - HG3 LYS 77 lone 10 100 - 9 - 3270/2.9=2, 3260/2.9=2 QD TYR 54 - HG3 LYS 44 lone 5 56 - 9 - 2.5/5838=1, 2.5/5843=1 HD22 ASN 14 - HG3 LYS 44 lone 1 84 - 1 - HD22 ASN 43 - HG3 LYS 44 lone 1 88 - 1 - Peak 3281 from cnoeabs.peaks (3.79, 1.57, 24.86 ppm; 3.40 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 77 + HG2 LYS 77 OK 94 100 - 94 - 3.8=74, 3311/3.0=18...(24) HA LYS 77 + HG3 LYS 77 OK 94 100 - 94 - 3.8=74, 3311/3.0=18...(24) HA LYS 77 - HG3 LYS 44 OK 14 88 - 15 - 3254=3, 3.6/4312=2...(7) HA SER 89 - HG2 LYS 77 lone 7 98 - 7 - 3.6/6739=2, 4.7/6745=2 HA SER 89 - HG3 LYS 77 lone 7 98 - 7 - 3.6/6739=2, 4.7/6745=2 HA ILE 40 - HG3 LYS 77 lone 6 100 - 6 - 3.2/5435=1, 3311/3.0=1 HA ILE 40 - HG2 LYS 77 lone 6 100 - 6 - 3.2/5435=1, 3311/3.0=1 HA ILE 40 - HG3 LYS 44 lone 6 88 - 6 - 3.2/5435=2, 5431/1.8=1 HA2 GLY 22 - HG3 LYS 77 lone 5 90 - 5 - HA2 GLY 22 - HG2 LYS 77 lone 5 90 - 5 - HA SER 89 - HG3 LYS 44 lone 4 84 - 5 - 3.6/6739=2, 4.7/6745=1 HD2 PRO 92 - HG2 LYS 77 lone 3 100 - 3 - HD2 PRO 92 - HG3 LYS 77 lone 3 100 - 3 - HD2 PRO 92 - HG3 LYS 44 lone 2 88 - 2 - HB3 SER 11 - HG3 LYS 77 lone 1 100 - 1 - HB3 SER 11 - HG2 LYS 77 lone 1 100 - 1 - HA2 GLY 60 - HG2 LYS 77 lone 1 71 - 1 - HA2 GLY 60 - HG3 LYS 77 lone 1 71 - 1 - HA2 GLY 60 - HG3 LYS 44 lone 1 56 - 2 - HA2 GLY 22 - HG3 LYS 44 lone 1 74 - 1 - HB3 SER 11 - HG3 LYS 44 lone 1 87 - 1 - Peak 3282 from cnoeabs.peaks (1.98, 1.57, 24.86 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 2.9=100 HB2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3283 from cnoeabs.peaks (2.11, 1.57, 24.86 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 2.9=100 HB3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3284 from cnoeabs.peaks (1.57, 1.57, 24.86 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 HG3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 HG3 LYS 44 + HG3 LYS 44 OK 77 77 - 100 Peak 3285 from cnoeabs.peaks (1.57, 1.57, 24.86 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 HG3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 HG3 LYS 44 + HG3 LYS 44 OK 76 76 - 100 Reference assignment not found: HG3 LYS 77 - HG2 LYS 77 Peak 3286 from cnoeabs.peaks (1.70, 1.57, 24.86 ppm; 2.59 A): 4 out of 51 assignments used, quality = 0.99: HD2 LYS 77 + HG3 LYS 77 OK 78 100 - 78 - 3.0=67, 3.0/3335=4...(16) * HD2 LYS 77 + HG2 LYS 77 OK 78 100 - 78 - 3.0=67, 3.0/3335=4...(16) HD3 LYS 44 + HG3 LYS 44 OK 54 67 - 81 - 3.0=66, 2199/1.8=6...(20) HD2 LYS 44 + HG3 LYS 44 OK 52 65 - 81 - 3.0=66, 2199/1.8=6...(20) HB ILE 80 - HG2 LYS 77 OK 22 87 - 26 - 4471/3.8=5, 3.2/6422=3...(12) HB ILE 80 - HG3 LYS 77 OK 22 87 - 26 - 4471/3.8=5, 3.2/6422=3...(12) HD2 LYS 45 - HG3 LYS 44 OK 10 88 - 12 - 6.3/192=2 HD3 LYS 45 - HG3 LYS 44 OK 10 88 - 12 - 6.3/192=2 HD3 LYS 61 - HG3 LYS 44 poor 10 65 - 16 - 2199/1.8=1 HD2 LYS 61 - HG3 LYS 44 poor 10 65 - 16 - 2199/1.8=1 HD3 LYS 63 - HG3 LYS 77 lone 5 81 - 6 - HD3 LYS 63 - HG2 LYS 77 lone 5 81 - 6 - HD3 LYS 94 - HG3 LYS 44 lone 4 56 - 6 - HD2 LYS 94 - HG3 LYS 44 lone 4 56 - 6 - HD3 LYS 35 - HG3 LYS 44 lone 3 73 - 4 - HB ILE 40 - HG2 LYS 77 lone 3 83 - 3 - 2.1/5435=1 HB ILE 40 - HG3 LYS 77 lone 3 83 - 3 - 2.1/5435=1 HB ILE 40 - HG3 LYS 44 lone 3 67 - 4 - 2.1/5435=1 HD3 LYS 44 - HG2 LYS 77 lone 3 83 - 3 - HD3 LYS 44 - HG3 LYS 77 lone 3 83 - 3 - HD2 LYS 44 - HG2 LYS 77 lone 3 81 - 3 - HD2 LYS 44 - HG3 LYS 77 lone 3 81 - 3 - HD2 LYS 45 - HG2 LYS 77 lone 2 100 - 2 - HD2 LYS 45 - HG3 LYS 77 lone 2 100 - 2 - HD3 LYS 45 - HG2 LYS 77 lone 2 100 - 2 - HD3 LYS 45 - HG3 LYS 77 lone 2 100 - 2 - HB2 LEU 53 - HG2 LYS 77 lone 2 87 - 2 - HB2 LEU 53 - HG3 LYS 77 lone 2 87 - 2 - HD2 LYS 77 - HG3 LYS 44 lone 2 88 - 2 - HD2 LYS 61 - HG3 LYS 77 lone 2 81 - 2 - HD3 LYS 61 - HG3 LYS 77 lone 2 81 - 2 - HD3 LYS 61 - HG2 LYS 77 lone 2 81 - 2 - HD2 LYS 61 - HG2 LYS 77 lone 2 81 - 2 - HG12 ILE 39 - HG3 LYS 77 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 77 lone 1 97 - 1 - HD2 LYS 94 - HG3 LYS 77 lone 1 71 - 1 - HD3 LYS 94 - HG3 LYS 77 lone 1 71 - 1 - HD2 LYS 94 - HG2 LYS 77 lone 1 71 - 1 - HD3 LYS 94 - HG2 LYS 77 lone 1 71 - 1 - HD3 LYS 63 - HG3 LYS 44 lone 1 65 - 1 - HB ILE 80 - HG3 LYS 44 lone 1 71 - 1 - HG12 ILE 39 - HG3 LYS 44 lone 1 83 - 1 - HD3 LYS 35 - HG3 LYS 77 lone 1 89 - 1 - HD3 LYS 35 - HG2 LYS 77 lone 1 89 - 1 - HG2 ARG 57 - HG2 LYS 77 lone 1 83 - 1 - HG2 ARG 57 - HG3 LYS 77 lone 1 83 - 1 - HG3 ARG 57 - HG2 LYS 77 lone 1 78 - 1 - HG3 ARG 57 - HG3 LYS 77 lone 1 78 - 1 - HG2 ARG 57 - HG3 LYS 44 lone 1 67 - 1 - HG3 ARG 57 - HG3 LYS 44 lone 1 63 - 1 - HB2 LEU 53 - HG3 LYS 44 lone 0 71 - 0 - Peak 3287 from cnoeabs.peaks (1.87, 1.57, 24.86 ppm; 2.96 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HB3 LYS 44 + HG3 LYS 44 OK 87 87 - 100 - 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 85 85 - 100 - 2.9=100 Peak 3288 from cnoeabs.peaks (3.07, 1.57, 24.86 ppm; 3.46 A): 4 out of 21 assignments used, quality = 1.00: HE2 LYS 77 + HG3 LYS 77 OK 90 100 - 90 - 3.8=77, 1.8/3335=10...(17) * HE2 LYS 77 + HG2 LYS 77 OK 90 100 - 90 - 3.8=77, 1.8/3335=10...(17) HE3 LYS 77 + HG2 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3325=10...(17) HE3 LYS 77 + HG3 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3325=10...(17) HE2 LYS 77 - HG3 LYS 44 lone 3 88 - 3 - HE3 LYS 41 - HG3 LYS 44 lone 2 67 - 3 - 2128/1.8=1 HE3 LYS 77 - HG3 LYS 44 lone 2 69 - 3 - HE2 LYS 41 - HG3 LYS 44 lone 2 63 - 3 - HB2 ASP 56 - HG3 LYS 44 lone 1 88 - 2 - HB3 TRP 82 - HG3 LYS 77 lone 1 76 - 2 - HB3 TRP 82 - HG2 LYS 77 lone 1 76 - 2 - HB2 ASP 56 - HG2 LYS 77 lone 1 100 - 1 - HB2 ASP 56 - HG3 LYS 77 lone 1 100 - 1 - HE3 LYS 41 - HG2 LYS 77 lone 1 83 - 1 - HE3 LYS 41 - HG3 LYS 77 lone 1 83 - 1 - HE2 LYS 41 - HG2 LYS 77 lone 1 78 - 1 - HE2 LYS 41 - HG3 LYS 77 lone 1 78 - 1 - HB2 TYR 33 - HG3 LYS 44 lone 1 63 - 1 - HB2 TYR 33 - HG3 LYS 77 lone 0 78 - 1 - HB2 TYR 33 - HG2 LYS 77 lone 0 78 - 1 - HB3 TRP 82 - HG3 LYS 44 lone 0 60 - 1 - Peak 3289 from cnoeabs.peaks (3.09, 1.57, 24.86 ppm; 3.46 A): 4 out of 18 assignments used, quality = 1.00: HE3 LYS 77 + HG3 LYS 77 OK 90 100 - 90 - 3.8=77, 3335/1.8=10...(17) * HE3 LYS 77 + HG2 LYS 77 OK 90 100 - 90 - 3.8=77, 3335/1.8=10...(17) HE2 LYS 77 + HG2 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3335=10...(17) HE2 LYS 77 + HG3 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3335=10...(17) HE3 LYS 41 - HG3 LYS 44 lone 3 88 - 4 - 2128/1.8=1 HE3 LYS 77 - HG3 LYS 44 lone 3 88 - 3 - HB3 TRP 82 - HG3 LYS 77 lone 2 100 - 2 - HB3 TRP 82 - HG2 LYS 77 lone 2 100 - 2 - HE2 LYS 77 - HG3 LYS 44 lone 2 69 - 3 - HB2 TYR 33 - HG3 LYS 44 lone 1 87 - 1 - HE3 LYS 41 - HG3 LYS 77 lone 1 100 - 1 - HE3 LYS 41 - HG2 LYS 77 lone 1 100 - 1 - HB2 ASP 56 - HG3 LYS 44 lone 1 65 - 1 - HB2 ASP 56 - HG2 LYS 77 lone 1 81 - 1 - HB2 ASP 56 - HG3 LYS 77 lone 1 81 - 1 - HB2 TYR 33 - HG3 LYS 77 lone 1 100 - 1 - HB2 TYR 33 - HG2 LYS 77 lone 1 100 - 1 - HB3 TRP 82 - HG3 LYS 44 lone 1 87 - 1 - Peak 3290 from cnoeabs.peaks (7.20, 1.57, 24.86 ppm; 3.90 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 77 + HG3 LYS 77 OK 93 100 - 93 - 4.9=49, 941/2.9=27...(23) H LYS 77 + HG2 LYS 77 OK 93 100 - 93 - 4.9=49, 941/2.9=27...(23) QD TYR 54 - HG3 LYS 77 OK 34 71 - 48 - 2.5/5838=7, 2.5/5843=5...(17) QD TYR 54 - HG2 LYS 77 OK 34 71 - 48 - 2.5/5838=7, 2.5/5843=5...(17) HD22 ASN 14 - HG3 LYS 77 OK 21 98 - 21 - 3270/2.9=4, 3260/2.9=4...(6) HD22 ASN 14 - HG2 LYS 77 OK 21 98 - 21 - 3270/2.9=4, 3260/2.9=4...(6) H LYS 77 - HG3 LYS 44 OK 17 86 - 19 - 942=3, 4.6/4312=2...(8) HD22 ASN 43 - HG2 LYS 77 lone 10 100 - 9 - 3270/2.9=2, 3260/2.9=2 HD22 ASN 43 - HG3 LYS 77 lone 10 100 - 9 - 3270/2.9=2, 3260/2.9=2 QD TYR 54 - HG3 LYS 44 lone 5 54 - 9 - 2.5/5838=1, 2.5/5843=1 HD22 ASN 14 - HG3 LYS 44 lone 1 81 - 1 - HD22 ASN 43 - HG3 LYS 44 lone 1 86 - 1 - Peak 3291 from cnoeabs.peaks (3.79, 1.57, 24.86 ppm; 3.40 A): 2 out of 21 assignments used, quality = 1.00: * HA LYS 77 + HG3 LYS 77 OK 94 100 - 94 - 3.8=74, 3311/3.0=18...(24) HA LYS 77 + HG2 LYS 77 OK 94 100 - 94 - 3.8=74, 3311/3.0=18...(24) HA LYS 77 - HG3 LYS 44 OK 13 86 - 15 - 3254=3, 3.6/4312=2...(7) HA SER 89 - HG2 LYS 77 lone 7 98 - 7 - 3.6/6739=2, 4.7/6745=2 HA SER 89 - HG3 LYS 77 lone 7 98 - 7 - 3.6/6739=2, 4.7/6745=2 HA ILE 40 - HG3 LYS 77 lone 6 100 - 6 - 3.2/5435=1, 3311/3.0=1 HA ILE 40 - HG2 LYS 77 lone 6 100 - 6 - 3.2/5435=1, 3311/3.0=1 HA ILE 40 - HG3 LYS 44 lone 5 86 - 6 - 3.2/5435=2, 5431/1.8=1 HA2 GLY 22 - HG3 LYS 77 lone 5 90 - 5 - HA2 GLY 22 - HG2 LYS 77 lone 5 90 - 5 - HA SER 89 - HG3 LYS 44 lone 4 81 - 5 - 3.6/6739=2, 4.7/6745=1 HD2 PRO 92 - HG2 LYS 77 lone 3 100 - 3 - HD2 PRO 92 - HG3 LYS 77 lone 3 100 - 3 - HD2 PRO 92 - HG3 LYS 44 lone 1 86 - 2 - HB3 SER 11 - HG3 LYS 77 lone 1 100 - 1 - HB3 SER 11 - HG2 LYS 77 lone 1 100 - 1 - HA2 GLY 60 - HG3 LYS 77 lone 1 71 - 1 - HA2 GLY 60 - HG2 LYS 77 lone 1 71 - 1 - HA2 GLY 60 - HG3 LYS 44 lone 1 54 - 2 - HA2 GLY 22 - HG3 LYS 44 lone 1 72 - 1 - HB3 SER 11 - HG3 LYS 44 lone 1 85 - 1 - Peak 3292 from cnoeabs.peaks (1.98, 1.57, 24.86 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 2.9=100 HB2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3293 from cnoeabs.peaks (2.11, 1.57, 24.86 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 2.9=100 HB3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 2.9=100 Peak 3294 from cnoeabs.peaks (1.57, 1.57, 24.86 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 HG2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 HG3 LYS 44 + HG3 LYS 44 OK 75 75 - 100 Reference assignment not found: HG2 LYS 77 - HG3 LYS 77 Peak 3295 from cnoeabs.peaks (1.57, 1.57, 24.86 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 HG2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 HG3 LYS 44 + HG3 LYS 44 OK 74 74 - 100 Peak 3296 from cnoeabs.peaks (1.70, 1.57, 24.86 ppm; 2.59 A): 4 out of 51 assignments used, quality = 0.99: * HD2 LYS 77 + HG3 LYS 77 OK 78 100 - 78 - 3.0=67, 3.0/3335=4...(16) HD2 LYS 77 + HG2 LYS 77 OK 78 100 - 78 - 3.0=67, 3.0/3335=4...(16) HD3 LYS 44 + HG3 LYS 44 OK 52 65 - 81 - 3.0=66, 2199/1.8=6...(20) HD2 LYS 44 + HG3 LYS 44 OK 51 63 - 81 - 3.0=66, 2199/1.8=6...(20) HB ILE 80 - HG3 LYS 77 OK 22 87 - 26 - 4471/3.8=5, 3.2/6422=3...(12) HB ILE 80 - HG2 LYS 77 OK 22 87 - 26 - 4471/3.8=5, 3.2/6422=3...(12) HD2 LYS 45 - HG3 LYS 44 OK 10 86 - 12 - 6.3/192=2 HD3 LYS 45 - HG3 LYS 44 poor 10 86 - 12 - 6.3/192=2 HD2 LYS 61 - HG3 LYS 44 poor 9 63 - 15 - 2199/1.8=1 HD3 LYS 61 - HG3 LYS 44 poor 9 63 - 15 - 2199/1.8=1 HD3 LYS 63 - HG3 LYS 77 lone 5 81 - 7 - 3.9/2902=1, 3.9/2912=1 HD3 LYS 63 - HG2 LYS 77 lone 5 81 - 6 - HD3 LYS 94 - HG3 LYS 44 lone 3 54 - 6 - HD2 LYS 94 - HG3 LYS 44 lone 3 54 - 6 - HD3 LYS 35 - HG3 LYS 44 lone 3 70 - 4 - HB ILE 40 - HG3 LYS 77 lone 3 83 - 3 - 2.1/5435=1 HB ILE 40 - HG2 LYS 77 lone 3 83 - 3 - 2.1/5435=1 HB ILE 40 - HG3 LYS 44 lone 3 65 - 4 - 2.1/5435=1 HD3 LYS 44 - HG3 LYS 77 lone 3 83 - 3 - HD3 LYS 44 - HG2 LYS 77 lone 3 83 - 3 - HD2 LYS 44 - HG3 LYS 77 lone 3 81 - 3 - HD2 LYS 44 - HG2 LYS 77 lone 3 81 - 3 - HD2 LYS 45 - HG2 LYS 77 lone 2 100 - 2 - HD2 LYS 45 - HG3 LYS 77 lone 2 100 - 2 - HD3 LYS 45 - HG3 LYS 77 lone 2 100 - 2 - HD3 LYS 45 - HG2 LYS 77 lone 2 100 - 2 - HB2 LEU 53 - HG3 LYS 77 lone 2 87 - 2 - HB2 LEU 53 - HG2 LYS 77 lone 2 87 - 2 - HD2 LYS 77 - HG3 LYS 44 lone 2 86 - 2 - HD2 LYS 61 - HG3 LYS 77 lone 2 81 - 2 - HD3 LYS 61 - HG3 LYS 77 lone 2 81 - 2 - HD3 LYS 61 - HG2 LYS 77 lone 2 81 - 2 - HD2 LYS 61 - HG2 LYS 77 lone 2 81 - 2 - HG12 ILE 39 - HG3 LYS 77 lone 1 97 - 1 - HG12 ILE 39 - HG2 LYS 77 lone 1 97 - 1 - HD2 LYS 94 - HG3 LYS 77 lone 1 71 - 1 - HD3 LYS 94 - HG3 LYS 77 lone 1 71 - 1 - HD3 LYS 94 - HG2 LYS 77 lone 1 71 - 1 - HD2 LYS 94 - HG2 LYS 77 lone 1 71 - 1 - HD3 LYS 63 - HG3 LYS 44 lone 1 63 - 1 - HB ILE 80 - HG3 LYS 44 lone 1 69 - 1 - HG2 ARG 57 - HG3 LYS 77 lone 1 83 - 1 - HG2 ARG 57 - HG2 LYS 77 lone 1 83 - 1 - HD3 LYS 35 - HG3 LYS 77 lone 1 89 - 1 - HD3 LYS 35 - HG2 LYS 77 lone 1 89 - 1 - HG12 ILE 39 - HG3 LYS 44 lone 1 80 - 1 - HG3 ARG 57 - HG3 LYS 77 lone 1 78 - 1 - HG3 ARG 57 - HG2 LYS 77 lone 1 78 - 1 - HG2 ARG 57 - HG3 LYS 44 lone 1 65 - 1 - HG3 ARG 57 - HG3 LYS 44 lone 0 61 - 1 - HB2 LEU 53 - HG3 LYS 44 lone 0 69 - 0 - Peak 3297 from cnoeabs.peaks (1.87, 1.57, 24.86 ppm; 2.96 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HB3 LYS 44 + HG3 LYS 44 OK 85 85 - 100 - 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 83 83 - 100 - 2.9=100 Peak 3298 from cnoeabs.peaks (3.07, 1.57, 24.86 ppm; 3.46 A): 4 out of 21 assignments used, quality = 1.00: * HE2 LYS 77 + HG3 LYS 77 OK 90 100 - 90 - 3.8=77, 1.8/3335=10...(17) HE2 LYS 77 + HG2 LYS 77 OK 90 100 - 90 - 3.8=77, 1.8/3335=10...(17) HE3 LYS 77 + HG3 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3325=10...(17) HE3 LYS 77 + HG2 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3325=10...(17) HE2 LYS 77 - HG3 LYS 44 lone 3 86 - 3 - HE3 LYS 41 - HG3 LYS 44 lone 2 65 - 3 - 2128/1.8=1 HE3 LYS 77 - HG3 LYS 44 lone 2 67 - 3 - HE2 LYS 41 - HG3 LYS 44 lone 2 61 - 3 - HB2 ASP 56 - HG3 LYS 44 lone 1 86 - 2 - HB3 TRP 82 - HG3 LYS 77 lone 1 76 - 2 - HB3 TRP 82 - HG2 LYS 77 lone 1 76 - 2 - HB2 ASP 56 - HG2 LYS 77 lone 1 100 - 1 - HB2 ASP 56 - HG3 LYS 77 lone 1 100 - 1 - HE3 LYS 41 - HG3 LYS 77 lone 1 83 - 1 - HE3 LYS 41 - HG2 LYS 77 lone 1 83 - 1 - HE2 LYS 41 - HG3 LYS 77 lone 1 78 - 1 - HE2 LYS 41 - HG2 LYS 77 lone 1 78 - 1 - HB2 TYR 33 - HG3 LYS 44 lone 1 61 - 1 - HB2 TYR 33 - HG3 LYS 77 lone 0 78 - 1 - HB2 TYR 33 - HG2 LYS 77 lone 0 78 - 1 - HB3 TRP 82 - HG3 LYS 44 lone 0 58 - 1 - Peak 3299 from cnoeabs.peaks (3.09, 1.57, 24.86 ppm; 3.46 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 77 + HG3 LYS 77 OK 90 100 - 90 - 3.8=77, 3335/1.8=10...(17) HE3 LYS 77 + HG2 LYS 77 OK 90 100 - 90 - 3.8=77, 3335/1.8=10...(17) HE2 LYS 77 + HG3 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3335=10...(17) HE2 LYS 77 + HG2 LYS 77 OK 76 85 - 90 - 3.8=77, 1.8/3335=10...(17) HE3 LYS 41 - HG3 LYS 44 lone 3 86 - 4 - 2128/1.8=1 HE3 LYS 77 - HG3 LYS 44 lone 3 86 - 3 - HB3 TRP 82 - HG3 LYS 77 lone 2 100 - 2 - HB3 TRP 82 - HG2 LYS 77 lone 2 100 - 2 - HE2 LYS 77 - HG3 LYS 44 lone 2 67 - 3 - HB2 TYR 33 - HG3 LYS 44 lone 1 85 - 1 - HE3 LYS 41 - HG3 LYS 77 lone 1 100 - 1 - HE3 LYS 41 - HG2 LYS 77 lone 1 100 - 1 - HB2 ASP 56 - HG3 LYS 44 lone 1 63 - 1 - HB2 ASP 56 - HG2 LYS 77 lone 1 81 - 1 - HB2 ASP 56 - HG3 LYS 77 lone 1 81 - 1 - HB2 TYR 33 - HG3 LYS 77 lone 1 100 - 1 - HB2 TYR 33 - HG2 LYS 77 lone 1 100 - 1 - HB3 TRP 82 - HG3 LYS 44 lone 1 85 - 1 - Peak 3300 from cnoeabs.peaks (7.20, 1.70, 28.52 ppm; 4.88 A): 1 out of 40 assignments used, quality = 0.96: * H LYS 77 + HD2 LYS 77 OK 96 100 - 96 - 6.3=47, 941/3.7=30...(18) QD TYR 54 - HD2 LYS 77 OK 31 71 - 45 - 3310/1.8=7, ~5838=6...(12) HD22 ASN 14 - HD2 LYS 77 OK 30 98 - 31 - 4523/3.0=7, 3310/1.8=7...(7) HD22 ASN 43 - HD3 LYS 45 OK 25 100 - 26 - 5541/3.6=12, 5541/3.6=12 HD22 ASN 43 - HD2 LYS 45 OK 25 100 - 25 - 5541/3.6=12, 5541/3.6=12 QD TYR 54 - HD3 LYS 63 OK 22 30 - 72 - ~7210=28, ~7209=16...(17) H LYS 77 - HD3 LYS 44 OK 21 72 - 28 - 944=3, 945/3.8=3...(14) H LYS 77 - HD2 LYS 45 OK 20 100 - 20 - 6413/2.9=3, 944=3...(10) H LYS 77 - HD3 LYS 45 OK 20 100 - 20 - 6413/2.9=3, 944=3...(10) H LYS 77 - HD2 LYS 44 OK 20 69 - 28 - 944=3, 945/3.8=3...(14) H LYS 77 - HD3 LYS 63 OK 15 52 - 30 - 348/1.8=6, 945/3.9=4...(9) HD22 ASN 43 - HD2 LYS 77 OK 15 100 - 14 - 3310/1.8=3, 3270/3.7=2...(7) QD TYR 54 - HD3 LYS 61 OK 12 35 - 35 - ~7215=4, 4704/3.9=3...(16) QD TYR 54 - HD2 LYS 61 OK 12 35 - 35 - ~7215=4, 4704/3.9=3...(16) H LYS 77 - HD3 LYS 61 poor 9 60 - 16 - 6413/3.0=2, 6413/3.0=2...(6) H LYS 77 - HD2 LYS 61 poor 9 60 - 16 - 6413/3.0=2, 6413/3.0=2...(6) QD TYR 54 - HD2 LYS 94 poor 9 33 - 27 - 4704/3.4=3, ~7215=3...(14) QD TYR 54 - HD3 LYS 94 poor 9 33 - 27 - 4704/3.4=3, ~7215=3...(14) QD TYR 54 - HD3 LYS 44 poor 6 44 - 13 - ~7215=1, ~5837=1...(9) QD TYR 54 - HD2 LYS 44 poor 6 42 - 13 - ~7215=1, ~5843=1...(9) HD22 ASN 14 - HD3 LYS 63 poor 5 49 - 11 - ~4531=3, ~4534=2...(4) QD TYR 54 - HD2 LYS 45 lone 4 71 - 6 - QD TYR 54 - HD3 LYS 45 lone 4 71 - 6 - H LYS 77 - HD2 LYS 94 lone 3 56 - 6 - H LYS 77 - HD3 LYS 94 lone 3 56 - 6 - HD22 ASN 14 - HD2 LYS 45 lone 2 98 - 2 - HD22 ASN 14 - HD3 LYS 45 lone 2 98 - 2 - HD22 ASN 43 - HD3 LYS 44 lone 2 72 - 2 - HD22 ASN 43 - HD2 LYS 44 lone 2 69 - 2 - HD22 ASN 14 - HD3 LYS 44 lone 1 68 - 2 - HD22 ASN 14 - HD2 LYS 44 lone 1 65 - 2 - HD22 ASN 43 - HD2 LYS 61 lone 1 60 - 2 - HD22 ASN 43 - HD3 LYS 61 lone 1 60 - 2 - HD22 ASN 43 - HD2 LYS 94 lone 1 56 - 2 - HD22 ASN 43 - HD3 LYS 94 lone 1 56 - 2 - HD22 ASN 14 - HD2 LYS 61 lone 1 56 - 2 - HD22 ASN 14 - HD3 LYS 61 lone 1 56 - 2 - HD22 ASN 43 - HD3 LYS 63 lone 1 52 - 2 - HD22 ASN 14 - HD3 LYS 94 lone 1 53 - 2 - HD22 ASN 14 - HD2 LYS 94 lone 1 53 - 2 - Peak 3301 from cnoeabs.peaks (3.79, 1.70, 28.52 ppm; 4.27 A): 1 out of 70 assignments used, quality = 0.96: * HA LYS 77 + HD2 LYS 77 OK 96 100 - 96 - 4.6=79, 3311/1.8=34...(19) HA LYS 77 - HD3 LYS 44 OK 16 72 - 23 - 3256=3, 3.6/355=3...(10) HA LYS 77 - HD2 LYS 44 OK 16 69 - 22 - 3256=3, 3.6/355=2...(10) HA LYS 77 - HD3 LYS 63 OK 15 52 - 28 - 6414/3.0=4, 6414/3.0=4...(11) HA LYS 77 - HD2 LYS 45 OK 15 100 - 14 - 3256=2, 4470/1.8=2...(6) HA LYS 77 - HD3 LYS 45 OK 14 100 - 14 - 4470/1.8=2, 3256=2...(6) HA ILE 40 - HD2 LYS 77 lone 9 100 - 9 - 3311/1.8=2 HA ILE 40 - HD2 LYS 94 poor 9 56 - 15 - ~6871=3, ~6872=2, ~162=2...(6) HA ILE 40 - HD3 LYS 94 poor 9 56 - 15 - ~6871=3, ~6872=2, ~162=2...(6) HA LYS 77 - HD2 LYS 61 poor 8 60 - 12 - 3256=1, 3.6/355=1...(6) HA LYS 77 - HD3 LYS 61 poor 8 60 - 12 - 3256=1, 3.6/355=1...(6) HA ILE 40 - HD3 LYS 44 lone 7 72 - 10 - 5431/3.0=2 HA ILE 40 - HD2 LYS 44 lone 7 69 - 10 - 5431/3.0=2 HA SER 89 - HD2 LYS 77 lone 6 98 - 6 - 3311/1.8=3, 3281/3.0=1 HA2 GLY 22 - HD2 LYS 77 lone 6 90 - 6 - 3311/1.8=2 HA2 GLY 60 - HD3 LYS 61 poor 5 35 - 13 - 3.6/870=6, ~5934=3...(4) HA2 GLY 60 - HD2 LYS 61 poor 5 35 - 13 - 3.6/870=6, ~5934=3...(4) HA ILE 40 - HD3 LYS 45 lone 5 100 - 5 - 3.6/169=2 HA ILE 40 - HD2 LYS 45 lone 4 100 - 4 - 3.6/169=2 HA LYS 77 - HD3 LYS 94 lone 4 56 - 6 - HA LYS 77 - HD2 LYS 94 lone 4 56 - 6 - HD2 PRO 92 - HD2 LYS 77 lone 4 100 - 3 - 3311/1.8=1 HA ILE 40 - HD3 LYS 61 lone 3 60 - 5 - HA ILE 40 - HD2 LYS 61 lone 3 60 - 5 - HA2 GLY 60 - HD2 LYS 77 lone 2 71 - 3 - HB3 SER 11 - HD2 LYS 77 lone 2 100 - 2 - HA2 GLY 22 - HD3 LYS 63 lone 2 42 - 5 - ~2936=2 HA2 GLY 22 - HD2 LYS 45 lone 2 90 - 2 - HA2 GLY 22 - HD3 LYS 45 lone 2 90 - 2 - HA ILE 40 - HD3 LYS 63 lone 2 52 - 3 - HD2 PRO 92 - HD3 LYS 44 lone 2 72 - 2 - HD2 PRO 92 - HD2 LYS 44 lone 2 69 - 2 - HA SER 89 - HD3 LYS 44 lone 2 68 - 2 - HA SER 89 - HD2 LYS 44 lone 1 65 - 2 - HD2 PRO 92 - HD3 LYS 45 lone 1 100 - 1 - HD2 PRO 92 - HD2 LYS 45 lone 1 100 - 1 - HD2 PRO 92 - HD2 LYS 61 lone 1 60 - 2 - HD2 PRO 92 - HD3 LYS 61 lone 1 60 - 2 - HA SER 89 - HD2 LYS 45 lone 1 98 - 1 - HA2 GLY 60 - HD3 LYS 44 lone 1 44 - 3 - HA SER 89 - HD3 LYS 45 lone 1 98 - 1 - HA SER 89 - HD3 LYS 61 lone 1 56 - 2 - HA SER 89 - HD2 LYS 61 lone 1 56 - 2 - HA2 GLY 60 - HD3 LYS 63 lone 1 30 - 4 - 3.6/869=1 HA2 GLY 60 - HD2 LYS 44 lone 1 42 - 3 - HA2 GLY 60 - HD3 LYS 45 lone 1 71 - 2 - HA2 GLY 60 - HD2 LYS 45 lone 1 71 - 2 - HA2 GLY 60 - HD3 LYS 94 lone 1 33 - 3 - HA2 GLY 60 - HD2 LYS 94 lone 1 33 - 3 - HB3 SER 11 - HD2 LYS 45 lone 1 100 - 1 - HB3 SER 11 - HD3 LYS 45 lone 1 100 - 1 - HA2 GLY 22 - HD2 LYS 61 lone 1 48 - 2 - HA2 GLY 22 - HD3 LYS 61 lone 1 48 - 2 - HA2 GLY 22 - HD3 LYS 44 lone 1 60 - 1 - HA2 GLY 22 - HD3 LYS 94 lone 1 45 - 2 - HA2 GLY 22 - HD2 LYS 94 lone 1 45 - 2 - HA2 GLY 22 - HD2 LYS 44 lone 1 57 - 1 - HB3 SER 11 - HD3 LYS 44 lone 1 72 - 1 - HB3 SER 11 - HD2 LYS 44 lone 1 69 - 1 - HD2 PRO 92 - HD3 LYS 63 lone 1 52 - 1 - HD2 PRO 92 - HD2 LYS 94 lone 1 56 - 1 - HD2 PRO 92 - HD3 LYS 94 lone 1 56 - 1 - HB3 SER 11 - HD2 LYS 61 lone 1 59 - 1 - HB3 SER 11 - HD3 LYS 61 lone 1 59 - 1 - HA SER 89 - HD3 LYS 94 lone 1 53 - 1 - HA SER 89 - HD2 LYS 94 lone 1 53 - 1 - HB3 SER 11 - HD2 LYS 94 lone 1 56 - 1 - HB3 SER 11 - HD3 LYS 94 lone 1 56 - 1 - HA SER 89 - HD3 LYS 63 lone 1 49 - 1 - HB3 SER 11 - HD3 LYS 63 lone 1 52 - 1 - Peak 3302 from cnoeabs.peaks (1.98, 1.70, 28.52 ppm; 3.81 A): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.7=100 HB3 LYS 45 + HD3 LYS 45 OK 63 63 - 100 - 3.6=100 HB2 LYS 45 + HD3 LYS 45 OK 63 63 - 100 - 3.6=100 HB2 LYS 45 + HD2 LYS 45 OK 63 63 - 100 - 3.6=100 HB3 LYS 45 + HD2 LYS 45 OK 63 63 - 100 - 3.6=100 Peak 3303 from cnoeabs.peaks (2.11, 1.70, 28.52 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3304 from cnoeabs.peaks (1.57, 1.70, 28.52 ppm; 2.69 A): 0 out of 1 assignment used, low quality = 0.29: HD2 LYS 63 - HD3 LYS 63 OK 29 29 - 100 - 1.8=100 Reference assignment not found: HG2 LYS 77 - HD2 LYS 77 Peak 3305 from cnoeabs.peaks (1.57, 1.70, 28.52 ppm; 2.69 A): 0 out of 1 assignment used, low quality = 0.30: HD2 LYS 63 - HD3 LYS 63 OK 30 30 - 100 - 1.8=100 Reference assignment not found: HG3 LYS 77 - HD2 LYS 77 Peak 3306 from cnoeabs.peaks (1.70, 1.70, 28.52 ppm; diagonal): 5 out of 10 assignments used, quality = 1.00: * HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD3 LYS 45 + HD3 LYS 45 OK 100 100 - 100 HD2 LYS 45 + HD2 LYS 45 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 53 53 - 100 HD2 LYS 44 + HD2 LYS 44 OK 49 49 - 100 HD3 LYS 61 - HD3 LYS 61 OK 41 41 - 100 HD2 LYS 61 - HD2 LYS 61 OK 41 41 - 100 HD3 LYS 63 - HD3 LYS 63 OK 36 36 - 100 HD3 LYS 94 - HD3 LYS 94 OK 33 33 - 100 HD2 LYS 94 - HD2 LYS 94 OK 33 33 - 100 Peak 3307 from cnoeabs.peaks (1.87, 1.70, 28.52 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 3308 from cnoeabs.peaks (3.07, 1.70, 28.52 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HE3 LYS 77 + HD2 LYS 77 OK 85 85 - 100 - 3.0=100 Peak 3309 from cnoeabs.peaks (3.09, 1.70, 28.52 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HE2 LYS 77 + HD2 LYS 77 OK 85 85 - 100 - 3.0=100 Peak 3310 from cnoeabs.peaks (7.20, 1.87, 28.52 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.97: * H LYS 77 + HD3 LYS 77 OK 97 100 - 97 - 6.3=49, 3.0/3311=33...(19) QD TYR 54 - HD3 LYS 77 OK 31 71 - 44 - ~5838=6, 3260/3.7=6...(13) HD22 ASN 14 - HD3 LYS 77 OK 28 98 - 29 - 4523/3.0=7, 3270/3.7=5...(7) HD22 ASN 43 - HD3 LYS 77 OK 13 100 - 13 - 3270/3.7=3, 3260/3.7=2...(7) Peak 3311 from cnoeabs.peaks (3.79, 1.87, 28.52 ppm; 3.90 A): 1 out of 7 assignments used, quality = 0.89: * HA LYS 77 + HD3 LYS 77 OK 89 100 - 89 - 4.6=60, 4470/1.8=16...(22) HA SER 89 - HD3 LYS 77 lone 7 98 - 7 - 4.7/6743=1, 3.6/6746=1 HA ILE 40 - HD3 LYS 77 lone 6 100 - 6 - HA2 GLY 22 - HD3 LYS 77 lone 5 90 - 5 - HD2 PRO 92 - HD3 LYS 77 lone 3 100 - 3 - HA2 GLY 60 - HD3 LYS 77 lone 2 71 - 2 - HB3 SER 11 - HD3 LYS 77 lone 1 100 - 1 - Peak 3312 from cnoeabs.peaks (1.98, 1.87, 28.52 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3313 from cnoeabs.peaks (2.11, 1.87, 28.52 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 3314 from cnoeabs.peaks (1.57, 1.87, 28.52 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HG3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3315 from cnoeabs.peaks (1.57, 1.87, 28.52 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HG2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 3316 from cnoeabs.peaks (1.70, 1.87, 28.52 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 3317 from cnoeabs.peaks (1.87, 1.87, 28.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 Peak 3318 from cnoeabs.peaks (3.07, 1.87, 28.52 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HE3 LYS 77 + HD3 LYS 77 OK 85 85 - 100 - 3.0=100 Peak 3319 from cnoeabs.peaks (3.09, 1.87, 28.52 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HE2 LYS 77 + HD3 LYS 77 OK 85 85 - 100 - 3.0=100 Peak 3324 from cnoeabs.peaks (1.57, 3.07, 42.08 ppm; 3.34 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 77 + HE2 LYS 77 OK 85 100 - 85 - 3.8=70, 3299/1.8=9...(17) * HG2 LYS 77 + HE2 LYS 77 OK 85 100 - 85 - 3.8=70, 3299/1.8=9...(17) HG2 LYS 77 + HE3 LYS 77 OK 65 76 - 85 - 3.8=70, 3298/1.8=9...(17) HG3 LYS 77 + HE3 LYS 77 OK 65 76 - 85 - 3.8=70, 3298/1.8=9...(17) HG3 LYS 44 - HE2 LYS 77 lone 3 93 - 3 - HG3 LYS 44 - HE3 LYS 77 lone 2 66 - 3 - HB3 PRO 49 - HE2 LYS 77 lone 2 100 - 2 - HD2 LYS 63 - HE2 LYS 77 lone 1 68 - 2 - HB3 PRO 49 - HE3 LYS 77 lone 1 75 - 2 - HB3 GLU 87 - HE2 LYS 77 lone 1 98 - 1 - HD2 LYS 63 - HE3 LYS 77 lone 1 45 - 2 - HB3 GLU 87 - HE3 LYS 77 lone 1 72 - 1 - HD2 LYS 86 - HE2 LYS 77 lone 1 68 - 1 - HD2 LYS 86 - HE3 LYS 77 lone 0 45 - 1 - Peak 3325 from cnoeabs.peaks (1.57, 3.07, 42.08 ppm; 3.34 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 77 + HE2 LYS 77 OK 85 100 - 85 - 3.8=70, 3299/1.8=9...(17) HG2 LYS 77 + HE2 LYS 77 OK 85 100 - 85 - 3.8=70, 3299/1.8=9...(17) HG3 LYS 77 + HE3 LYS 77 OK 65 76 - 85 - 3.8=70, 3298/1.8=9...(17) HG2 LYS 77 + HE3 LYS 77 OK 65 76 - 85 - 3.8=70, 3298/1.8=9...(17) HG3 LYS 44 - HE2 LYS 77 lone 3 92 - 3 - HG3 LYS 44 - HE3 LYS 77 lone 2 65 - 3 - HB3 PRO 49 - HE2 LYS 77 lone 2 99 - 2 - HD2 LYS 63 - HE2 LYS 77 lone 2 71 - 2 - HB3 PRO 49 - HE3 LYS 77 lone 1 74 - 2 - HD2 LYS 63 - HE3 LYS 77 lone 1 47 - 2 - HB3 GLU 87 - HE2 LYS 77 lone 1 97 - 1 - HB3 GLU 87 - HE3 LYS 77 lone 1 71 - 1 - HD2 LYS 86 - HE2 LYS 77 lone 1 65 - 1 - HD2 LYS 86 - HE3 LYS 77 lone 0 43 - 1 - Peak 3326 from cnoeabs.peaks (1.70, 3.07, 42.08 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HE3 LYS 77 OK 76 76 - 100 - 3.0=100 Peak 3327 from cnoeabs.peaks (1.87, 3.07, 42.08 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HE3 LYS 77 OK 76 76 - 100 - 3.0=100 Peak 3328 from cnoeabs.peaks (3.07, 3.07, 42.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 HE3 LYS 77 + HE3 LYS 77 OK 58 58 - 100 Peak 3329 from cnoeabs.peaks (3.09, 3.07, 42.08 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HE2 LYS 77 + HE2 LYS 77 OK 85 85 - 100 HE3 LYS 77 + HE3 LYS 77 OK 76 76 - 100 Reference assignment not found: HE3 LYS 77 - HE2 LYS 77 Peak 3330 from cnoeabs.peaks (7.20, 3.09, 42.08 ppm; 5.42 A): 2 out of 8 assignments used, quality = 0.98: * H LYS 77 + HE3 LYS 77 OK 94 100 - 94 - 6.8=49, 941/4.9=28...(12) H LYS 77 + HE2 LYS 77 OK 72 76 - 94 - 6.8=49, 941/4.9=28...(13) HD22 ASN 14 - HE3 LYS 77 OK 32 98 - 33 - 4523/1.8=9, 3310/3.0=6...(8) QD TYR 54 - HE3 LYS 77 OK 25 71 - 36 - 3310/3.0=7, 4866/3.8=6...(10) HD22 ASN 14 - HE2 LYS 77 OK 23 72 - 32 - 3310/3.0=6, 4523=6...(8) QD TYR 54 - HE2 LYS 77 OK 17 47 - 36 - 3310/3.0=7, 4866/3.8=6...(10) HD22 ASN 43 - HE3 LYS 77 OK 13 100 - 13 - 3310/3.0=3, 3270/4.9=2...(6) HD22 ASN 43 - HE2 LYS 77 OK 10 76 - 13 - 3310/3.0=3, 3270/4.9=2...(6) Peak 3334 from cnoeabs.peaks (1.57, 3.09, 42.08 ppm; 3.30 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 77 + HE3 LYS 77 OK 84 100 - 84 - 3.8=67, 3298/1.8=8...(17) * HG2 LYS 77 + HE3 LYS 77 OK 84 100 - 84 - 3.8=67, 3298/1.8=8...(16) HG2 LYS 77 + HE2 LYS 77 OK 64 76 - 83 - 3.8=67, 3299/1.8=8...(16) HG3 LYS 77 + HE2 LYS 77 OK 64 76 - 83 - 3.8=67, 3299/1.8=8...(17) HG3 LYS 44 - HE3 LYS 77 lone 2 93 - 3 - HG3 LYS 44 - HE2 LYS 77 lone 2 66 - 3 - HB3 PRO 49 - HE3 LYS 77 lone 2 100 - 2 - HD2 LYS 63 - HE3 LYS 77 lone 1 68 - 2 - HB3 PRO 49 - HE2 LYS 77 lone 1 75 - 2 - HD2 LYS 63 - HE2 LYS 77 lone 1 45 - 2 - HB3 GLU 87 - HE3 LYS 77 lone 1 98 - 1 - HB3 GLU 87 - HE2 LYS 77 lone 1 72 - 1 - HD2 LYS 86 - HE3 LYS 77 lone 1 68 - 1 - HD2 LYS 86 - HE2 LYS 77 lone 0 45 - 1 - Peak 3335 from cnoeabs.peaks (1.57, 3.09, 42.08 ppm; 3.30 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 77 + HE3 LYS 77 OK 84 100 - 84 - 3.8=67, 3298/1.8=8...(17) HG2 LYS 77 + HE3 LYS 77 OK 84 100 - 84 - 3.8=67, 3298/1.8=8...(16) HG3 LYS 77 + HE2 LYS 77 OK 64 76 - 83 - 3.8=67, 3299/1.8=8...(17) HG2 LYS 77 + HE2 LYS 77 OK 64 76 - 83 - 3.8=67, 3299/1.8=8...(16) HG3 LYS 44 - HE3 LYS 77 lone 2 92 - 3 - HB3 PRO 49 - HE3 LYS 77 lone 2 99 - 2 - HG3 LYS 44 - HE2 LYS 77 lone 2 65 - 3 - HD2 LYS 63 - HE3 LYS 77 lone 1 71 - 2 - HB3 PRO 49 - HE2 LYS 77 lone 1 74 - 2 - HD2 LYS 63 - HE2 LYS 77 lone 1 47 - 2 - HB3 GLU 87 - HE3 LYS 77 lone 1 97 - 1 - HB3 GLU 87 - HE2 LYS 77 lone 1 71 - 1 - HD2 LYS 86 - HE3 LYS 77 lone 1 65 - 1 - HD2 LYS 86 - HE2 LYS 77 lone 0 43 - 1 - Peak 3336 from cnoeabs.peaks (1.70, 3.09, 42.08 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HE2 LYS 77 OK 76 76 - 100 - 3.0=100 Peak 3337 from cnoeabs.peaks (1.87, 3.09, 42.08 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HE2 LYS 77 OK 76 76 - 100 - 3.0=100 Peak 3338 from cnoeabs.peaks (3.07, 3.09, 42.08 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HE3 LYS 77 + HE3 LYS 77 OK 85 85 - 100 HE2 LYS 77 + HE2 LYS 77 OK 76 76 - 100 Reference assignment not found: HE2 LYS 77 - HE3 LYS 77 Peak 3339 from cnoeabs.peaks (3.09, 3.09, 42.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 HE2 LYS 77 + HE2 LYS 77 OK 58 58 - 100 Peak 3340 from cnoeabs.peaks (7.87, 4.16, 54.45 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 78 + HA ALA 78 OK 100 100 - 100 - 3.0=100 Peak 3341 from cnoeabs.peaks (4.16, 4.16, 54.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 78 + HA ALA 78 OK 100 100 - 100 Peak 3342 from cnoeabs.peaks (1.40, 4.16, 54.45 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 78 + HA ALA 78 OK 100 100 - 100 - 2.1=100 Peak 3343 from cnoeabs.peaks (7.87, 1.40, 17.56 ppm; 2.89 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 78 + QB ALA 78 OK 98 100 - 98 - 2.9=96, 359/3.7=16...(12) Peak 3344 from cnoeabs.peaks (4.16, 1.40, 17.56 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 78 + QB ALA 78 OK 100 100 - 100 - 2.1=100 Peak 3345 from cnoeabs.peaks (1.40, 1.40, 17.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 78 + QB ALA 78 OK 100 100 - 100 Peak 3346 from cnoeabs.peaks (8.12, 4.27, 55.09 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 79 + HA ALA 79 OK 100 100 - 100 - 3.0=100 Peak 3347 from cnoeabs.peaks (4.27, 4.27, 55.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 79 + HA ALA 79 OK 100 100 - 100 Peak 3348 from cnoeabs.peaks (1.67, 4.27, 55.09 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 79 + HA ALA 79 OK 100 100 - 100 - 2.1=100 Peak 3349 from cnoeabs.peaks (8.12, 1.67, 18.80 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 79 + QB ALA 79 OK 100 100 - 100 - 2.9=100 Peak 3350 from cnoeabs.peaks (4.27, 1.67, 18.80 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 79 + QB ALA 79 OK 100 100 - 100 - 2.1=100 Peak 3351 from cnoeabs.peaks (1.67, 1.67, 18.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 79 + QB ALA 79 OK 100 100 - 100 Peak 3352 from cnoeabs.peaks (7.57, 3.42, 65.57 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 Peak 3353 from cnoeabs.peaks (3.42, 3.42, 65.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 Peak 3354 from cnoeabs.peaks (1.72, 3.42, 65.57 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 Peak 3355 from cnoeabs.peaks (0.84, 3.42, 65.57 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3356 from cnoeabs.peaks (1.45, 3.42, 65.57 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.8=100 Peak 3357 from cnoeabs.peaks (0.36, 3.42, 65.57 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.99: * HG13 ILE 80 + HA ILE 80 OK 99 100 - 99 - 3.8=92, 959/3.0=19...(20) QD1 ILE 37 - HA ILE 80 OK 38 90 - 43 - 959/3.0=12, 370/3.6=6...(13) Peak 3358 from cnoeabs.peaks (-0.18, 3.42, 65.57 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 - 100 - 4.2=97, 3372/3.2=29...(23) QD2 LEU 21 + HA ILE 80 OK 56 99 - 57 - 2.1/6500=12, 960/3.0=12...(17) Peak 3359 from cnoeabs.peaks (7.57, 1.72, 38.41 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.95: * H ILE 80 + HB ILE 80 OK 89 100 - 89 - 4.0=63, 958/2.9=21...(15) QD PHE 83 + HB ILE 80 OK 44 93 - 48 - 3366/2.1=10, ~4491=8...(13) HE21 GLN 48 + HB ILE 80 OK 15 97 - 15 - 3366/2.1=3, 3373/2.9=3...(5) Peak 3360 from cnoeabs.peaks (3.42, 1.72, 38.41 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 Peak 3361 from cnoeabs.peaks (1.72, 1.72, 38.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 3362 from cnoeabs.peaks (0.84, 1.72, 38.41 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3363 from cnoeabs.peaks (1.45, 1.72, 38.41 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.9=100 Peak 3364 from cnoeabs.peaks (0.36, 1.72, 38.41 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.9=100 Peak 3365 from cnoeabs.peaks (-0.18, 1.72, 38.41 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3366 from cnoeabs.peaks (7.57, 0.84, 16.66 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 80 + QG2 ILE 80 OK 97 100 - 97 - 4.0=78, 956/2.1=33...(22) QD PHE 83 + QG2 ILE 80 OK 59 93 - 63 - 3359/2.1=11, ~4491=9...(18) HE21 GLN 48 - QG2 ILE 80 OK 19 97 - 19 - 3359/2.1=4, 3387/3.0=3...(6) Peak 3367 from cnoeabs.peaks (3.42, 0.84, 16.66 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.97: * HA ILE 80 + QG2 ILE 80 OK 97 100 - 97 - 3.2=92, 3357/3.2=14...(22) HB2 PHE 83 - QG2 ILE 80 OK 37 95 - 40 - 2.4/3366=8, ~4491=7...(13) HB2 PHE 34 - QG2 ILE 80 OK 27 100 - 26 - 1.8/6518=6, 3.0/7125=4...(9) HB2 PHE 70 - QG2 ILE 80 poor 10 83 - 11 - 1.8/6518=3, ~6514=1...(4) Peak 3368 from cnoeabs.peaks (1.72, 0.84, 16.66 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3369 from cnoeabs.peaks (0.84, 0.84, 16.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 Peak 3370 from cnoeabs.peaks (1.45, 0.84, 16.66 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3371 from cnoeabs.peaks (0.36, 0.84, 16.66 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3372 from cnoeabs.peaks (-0.18, 0.84, 16.66 ppm; 2.80 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 80 + QG2 ILE 80 OK 89 100 - 89 - 3.0=78, 3389/2.1=15...(12) QD2 LEU 21 + QG2 ILE 80 OK 32 99 - 33 - 4819=6, 3358/3.2=5...(10) Peak 3373 from cnoeabs.peaks (7.57, 1.45, 29.07 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 80 + HG12 ILE 80 OK 91 100 - 91 - 4.8=51, 956/2.9=29...(12) QD PHE 83 + HG12 ILE 80 OK 46 93 - 49 - 3387/2.1=11, 3380/1.8=10...(9) HE21 GLN 48 - HG12 ILE 80 OK 19 97 - 19 - 3380/1.8=4, 3387/2.1=4...(5) Peak 3374 from cnoeabs.peaks (3.42, 1.45, 29.07 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.8=100 Peak 3375 from cnoeabs.peaks (1.72, 1.45, 29.07 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 2.9=100 Peak 3376 from cnoeabs.peaks (0.84, 1.45, 29.07 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3377 from cnoeabs.peaks (1.45, 1.45, 29.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG12 ILE 80 OK 100 100 - 100 Peak 3378 from cnoeabs.peaks (0.36, 1.45, 29.07 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 1.8=100 Peak 3379 from cnoeabs.peaks (-0.18, 1.45, 29.07 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3380 from cnoeabs.peaks (7.57, 0.36, 29.07 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.99: * H ILE 80 + HG13 ILE 80 OK 98 100 - 98 - 4.8=73, 958/1.8=36...(19) QD PHE 83 + HG13 ILE 80 OK 64 93 - 69 - 4739=14, 3387/2.1=13...(20) HE21 GLN 48 - HG13 ILE 80 OK 27 97 - 27 - 3373/1.8=6, 3387/2.1=5...(5) Peak 3381 from cnoeabs.peaks (3.42, 0.36, 29.07 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.8=100 Peak 3382 from cnoeabs.peaks (1.72, 0.36, 29.07 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 2.9=100 Peak 3383 from cnoeabs.peaks (0.84, 0.36, 29.07 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.2=100 Peak 3384 from cnoeabs.peaks (1.45, 0.36, 29.07 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 1.8=100 Peak 3385 from cnoeabs.peaks (0.36, 0.36, 29.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 Peak 3386 from cnoeabs.peaks (-0.18, 0.36, 29.07 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3387 from cnoeabs.peaks (7.57, -0.18, 12.89 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 80 + QD1 ILE 80 OK 93 100 - 93 - 4.6=52, 958/2.1=30...(17) QD PHE 83 + QD1 ILE 80 OK 52 93 - 56 - 3373/2.1=10, 3366/3.0=9...(20) HE21 GLN 48 - QD1 ILE 80 OK 20 97 - 20 - 3373/2.1=4, 3380/2.1=4...(5) Peak 3388 from cnoeabs.peaks (3.42, -0.18, 12.89 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 4.2=94, 3.2/3372=29...(23) HB2 PHE 83 + QD1 ILE 80 OK 54 95 - 58 - 2.4/3387=12, 3367/3.0=8...(19) HB2 PHE 34 - QD1 ILE 80 OK 38 100 - 38 - 4.4/4692=7, 3367/3.0=6...(12) HB2 PHE 70 - QD1 ILE 80 OK 13 83 - 16 - ~6518=3, 3367/3.0=2...(8) Peak 3389 from cnoeabs.peaks (1.72, -0.18, 12.89 ppm; 3.17 A): 1 out of 7 assignments used, quality = 0.98: * HB ILE 80 + QD1 ILE 80 OK 98 100 - 98 - 3.2=95, 2.1/3372=26...(11) HD2 LYS 77 - QD1 ILE 80 OK 34 87 - 40 - 4.6/6420=9, 1.8/6426=7...(10) HB2 LEU 53 - QD1 ILE 80 OK 18 100 - 18 - 3.1/5824=4, 3.0/6530=3...(6) HD2 LYS 45 - QD1 ILE 80 lone 3 89 - 3 - HD3 LYS 45 - QD1 ILE 80 lone 3 85 - 3 - HD2 LYS 35 - QD1 ILE 80 lone 1 78 - 1 - HG12 ILE 39 - QD1 ILE 80 lone 1 63 - 2 - Peak 3390 from cnoeabs.peaks (0.84, -0.18, 12.89 ppm; 2.66 A): 3 out of 10 assignments used, quality = 0.92: * QG2 ILE 80 + QD1 ILE 80 OK 83 100 - 83 - 3.0=67, 2.1/3389=14...(12) QG2 ILE 16 + QD1 ILE 80 OK 43 93 - 46 - 4586=9, 3.2/6533=7...(14) QG2 VAL 30 + QD1 ILE 80 OK 23 100 - 23 - 5108=5, 2.1/5111=4...(4) QG2 ILE 37 - QD1 ILE 80 OK 23 100 - 23 - 1934/2.1=4, 4586=3...(7) QG1 VAL 30 - QD1 ILE 80 OK 22 100 - 22 - 2.1/5108=5, 5111=4...(4) QG1 VAL 18 - QD1 ILE 80 OK 12 68 - 18 - 2.1/4727=5, 4717=4...(4) QD2 LEU 62 - QD1 ILE 80 lone 8 99 - 8 - 2.1/6505=1, 5108=1 QG2 VAL 25 - QD1 ILE 80 lone 6 68 - 8 - 2.1/4912=2, 4914=1 QG2 ILE 40 - QD1 ILE 80 lone 5 63 - 9 - 3.2/6528=2 QD1 ILE 51 - QD1 ILE 80 lone 2 63 - 4 - Peak 3391 from cnoeabs.peaks (1.45, -0.18, 12.89 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3392 from cnoeabs.peaks (0.36, -0.18, 12.89 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 3393 from cnoeabs.peaks (-0.18, -0.18, 12.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Peak 3394 from cnoeabs.peaks (7.96, 4.31, 56.84 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 81 + HA ASP 81 OK 100 100 - 100 - 3.0=100 Peak 3395 from cnoeabs.peaks (4.31, 4.31, 56.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 81 + HA ASP 81 OK 100 100 - 100 HA ASP 32 + HA ASP 32 OK 85 85 - 100 Peak 3396 from cnoeabs.peaks (2.72, 4.31, 56.84 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 81 + HA ASP 81 OK 100 100 - 100 - 3.0=100 Peak 3397 from cnoeabs.peaks (2.63, 4.31, 56.84 ppm; 2.89 A): 2 out of 6 assignments used, quality = 0.99: * HB3 ASP 81 + HA ASP 81 OK 94 100 - 94 - 3.0=90, 964/3.0=14...(5) HB3 ASP 32 + HA ASP 32 OK 81 87 - 93 - 3.0=88, 707/3.0=17...(7) HB3 ASP 32 - HA ASP 81 lone 8 98 - 9 - 1685=2, 964/3.0=2, 375/3.6=1 HB3 ASP 12 - HA ASP 32 lone 8 88 - 9 - 1685=3, 707/3.0=3...(4) HB3 ASP 81 - HA ASP 32 lone 3 91 - 4 - 707/3.0=1 HB3 ASP 12 - HA ASP 81 lone 3 99 - 3 - Peak 3398 from cnoeabs.peaks (7.96, 2.72, 40.30 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.89: * H ASP 81 + HB2 ASP 81 OK 86 100 - 86 - 4.0=69, 964/1.8=28...(8) H ASP 84 + HB2 ASP 81 OK 23 100 - 23 - 3402/1.8=7, 963=5...(6) H VAL 30 - HB2 ASP 81 lone 6 92 - 6 - 3402/1.8=2, 372/4.4=2 HE21 GLN 19 - HB2 ASP 81 lone 4 99 - 4 - 3402/1.8=1, 372/4.4=1 HD21 ASN 14 - HB2 ASP 81 lone 2 65 - 3 - Peak 3399 from cnoeabs.peaks (4.31, 2.72, 40.30 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 81 + HB2 ASP 81 OK 100 100 - 100 - 3.0=100 Peak 3400 from cnoeabs.peaks (2.72, 2.72, 40.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 81 + HB2 ASP 81 OK 100 100 - 100 Peak 3401 from cnoeabs.peaks (2.63, 2.72, 40.30 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 81 + HB2 ASP 81 OK 100 100 - 100 - 1.8=100 Peak 3402 from cnoeabs.peaks (7.96, 2.63, 40.30 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.88: * H ASP 81 + HB3 ASP 81 OK 84 100 - 84 - 4.0=66, 963/1.8=30...(6) H ASP 84 + HB3 ASP 81 OK 22 100 - 22 - 3398/1.8=7, 964=6...(5) H VAL 30 - HB3 ASP 81 lone 6 92 - 7 - 3398/1.8=2, 372/4.4=2 HE21 GLN 19 - HB3 ASP 81 lone 4 99 - 4 - 3398/1.8=1, 372/4.4=1 HD21 ASN 14 - HB3 ASP 81 lone 2 65 - 2 - Peak 3403 from cnoeabs.peaks (4.31, 2.63, 40.30 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 81 + HB3 ASP 81 OK 100 100 - 100 - 3.0=100 Peak 3404 from cnoeabs.peaks (2.72, 2.63, 40.30 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 81 + HB3 ASP 81 OK 100 100 - 100 - 1.8=100 Peak 3405 from cnoeabs.peaks (2.63, 2.63, 40.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 81 + HB3 ASP 81 OK 100 100 - 100 Peak 3406 from cnoeabs.peaks (8.49, 4.36, 59.12 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 82 + HA TRP 82 OK 100 100 - 100 - 3.0=100 Peak 3407 from cnoeabs.peaks (4.36, 4.36, 59.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + HA TRP 82 OK 100 100 - 100 Peak 3408 from cnoeabs.peaks (2.54, 4.36, 59.12 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 82 + HA TRP 82 OK 100 100 - 100 - 3.0=100 Peak 3409 from cnoeabs.peaks (3.09, 4.36, 59.12 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 82 + HA TRP 82 OK 100 100 - 100 - 3.0=100 Peak 3410 from cnoeabs.peaks (5.26, 4.36, 59.12 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HA TRP 82 OK 100 100 - 100 - 4.5=100 Peak 3411 from cnoeabs.peaks (7.39, 4.36, 59.12 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.68: * HE3 TRP 82 + HA TRP 82 OK 68 100 - 68 - 4.5=50, 3431/3.0=23...(6) Peak 3416 from cnoeabs.peaks (8.49, 2.54, 30.57 ppm; 3.19 A): 2 out of 6 assignments used, quality = 0.91: * H TRP 82 + HB2 TRP 82 OK 77 100 - 77 - 4.0=52, 968/1.8=25...(8) H PHE 83 + HB2 TRP 82 OK 61 92 - 67 - 4.3=40, 379/1.8=17...(11) H ASP 72 - HB2 TRP 82 lone 8 90 - 9 - 967=2, 3426/1.8=2, 4.8/4483=1 H ALA 98 - HB2 TRP 82 lone 7 85 - 8 - 3426/1.8=1 H THR 42 - HB2 TRP 82 lone 4 78 - 5 - 4.6/6568=1 H LEU 21 - HB2 TRP 82 lone 3 71 - 4 - Peak 3417 from cnoeabs.peaks (4.36, 2.54, 30.57 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + HB2 TRP 82 OK 100 100 - 100 - 3.0=100 Peak 3418 from cnoeabs.peaks (2.54, 2.54, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 82 + HB2 TRP 82 OK 100 100 - 100 Peak 3419 from cnoeabs.peaks (3.09, 2.54, 30.57 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 82 + HB2 TRP 82 OK 100 100 - 100 - 1.8=100 Peak 3420 from cnoeabs.peaks (5.26, 2.54, 30.57 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HB2 TRP 82 OK 100 100 - 100 - 3.9=100 Peak 3421 from cnoeabs.peaks (7.39, 2.54, 30.57 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 82 + HB2 TRP 82 OK 100 100 - 100 - 4.2=100 Peak 3426 from cnoeabs.peaks (8.49, 3.09, 30.57 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.90: * H TRP 82 + HB3 TRP 82 OK 75 100 - 75 - 4.0=50, 967/1.8=25...(9) H PHE 83 + HB3 TRP 82 OK 60 92 - 66 - 4.3=38, 378/1.8=19...(10) H ASP 72 - HB3 TRP 82 lone 8 90 - 9 - 968=2, 3416/1.8=2, 4.8/4485=1 H ALA 98 - HB3 TRP 82 lone 6 85 - 7 - 3416/1.8=1 H THR 42 - HB3 TRP 82 lone 4 78 - 5 - 4.6/2075=1 H LEU 21 - HB3 TRP 82 lone 2 71 - 3 - Peak 3427 from cnoeabs.peaks (4.36, 3.09, 30.57 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + HB3 TRP 82 OK 100 100 - 100 - 3.0=100 Peak 3428 from cnoeabs.peaks (2.54, 3.09, 30.57 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 82 + HB3 TRP 82 OK 100 100 - 100 - 1.8=100 Peak 3429 from cnoeabs.peaks (3.09, 3.09, 30.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 82 + HB3 TRP 82 OK 100 100 - 100 Peak 3430 from cnoeabs.peaks (5.26, 3.09, 30.57 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HB3 TRP 82 OK 100 100 - 100 - 3.9=100 Peak 3431 from cnoeabs.peaks (7.39, 3.09, 30.57 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.97: * HE3 TRP 82 + HB3 TRP 82 OK 97 100 - 97 - 4.2=93, 3411/3.0=34...(6) Peak 3436 from cnoeabs.peaks (8.49, 5.26, 126.58 ppm; 4.70 A): 2 out of 6 assignments used, quality = 0.97: * H TRP 82 + HD1 TRP 82 OK 87 100 - 87 - 5.9=50, 4.0/4580=31...(13) H PHE 83 + HD1 TRP 82 OK 76 92 - 83 - 4.3/4580=29, 380=28...(12) H ALA 98 - HD1 TRP 82 OK 14 85 - 17 - 463/5.0=2, 5324/5315=2...(7) H ASP 72 - HD1 TRP 82 OK 13 90 - 14 - 969=3, 3426/3.9=2...(4) H THR 42 - HD1 TRP 82 lone 6 78 - 8 - H LEU 21 - HD1 TRP 82 lone 4 71 - 6 - Peak 3438 from cnoeabs.peaks (2.54, 5.26, 126.58 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 82 + HD1 TRP 82 OK 100 100 - 100 - 3.9=100 Peak 3439 from cnoeabs.peaks (3.09, 5.26, 126.58 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 82 + HD1 TRP 82 OK 100 100 - 100 - 3.9=100 Peak 3440 from cnoeabs.peaks (5.26, 5.26, 126.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HD1 TRP 82 OK 100 100 - 100 Peak 3442 from cnoeabs.peaks (9.78, 5.26, 126.58 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 82 + HD1 TRP 82 OK 100 100 - 100 - 2.6=100 Peak 3447 from cnoeabs.peaks (4.36, 7.39, 120.51 ppm; 4.29 A): 1 out of 8 assignments used, quality = 0.92: * HA TRP 82 + HE3 TRP 82 OK 92 100 - 92 - 4.5=85, 3.0/3431=33...(6) HA ALA 98 - HE3 TRP 82 lone 8 98 - 8 - 6992/4.3=3, ~6994=2...(4) HA THR 42 - HE3 TRP 82 lone 1 87 - 1 - HA LYS 61 - HE3 TRP 82 lone 1 97 - 1 - HA LEU 62 - HE3 TRP 82 lone 1 100 - 1 - HA SER 11 - HE3 TRP 82 lone 1 100 - 1 - HA SER 29 - HE3 TRP 82 lone 1 78 - 1 - HB THR 46 - HE3 TRP 82 lone 1 57 - 1 - Peak 3448 from cnoeabs.peaks (2.54, 7.39, 120.51 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 82 + HE3 TRP 82 OK 100 100 - 100 - 4.2=100 Peak 3449 from cnoeabs.peaks (3.09, 7.39, 120.51 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 82 + HE3 TRP 82 OK 100 100 - 100 - 4.2=100 Peak 3451 from cnoeabs.peaks (7.39, 7.39, 120.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 82 + HE3 TRP 82 OK 100 100 - 100 Peak 3453 from cnoeabs.peaks (7.04, 7.39, 120.51 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HE3 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 3461 from cnoeabs.peaks (7.39, 7.04, 121.57 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 3463 from cnoeabs.peaks (7.04, 7.04, 121.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 Peak 3464 from cnoeabs.peaks (7.34, 7.04, 121.57 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 - 4.3=100 Peak 3465 from cnoeabs.peaks (7.14, 7.04, 121.57 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 - 2.4=100 Peak 3472 from cnoeabs.peaks (9.78, 7.34, 114.08 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 - 2.8=100 Peak 3473 from cnoeabs.peaks (7.04, 7.34, 114.08 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 - 4.3=100 Peak 3474 from cnoeabs.peaks (7.34, 7.34, 114.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 Peak 3475 from cnoeabs.peaks (7.14, 7.34, 114.08 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 3483 from cnoeabs.peaks (7.04, 7.14, 124.25 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HH2 TRP 82 OK 100 100 - 100 - 2.4=100 Peak 3484 from cnoeabs.peaks (7.34, 7.14, 124.25 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HH2 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 3485 from cnoeabs.peaks (7.14, 7.14, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HH2 TRP 82 OK 100 100 - 100 Peak 3486 from cnoeabs.peaks (8.48, 4.66, 59.51 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 Peak 3487 from cnoeabs.peaks (4.66, 4.66, 59.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + HA PHE 83 OK 100 100 - 100 Peak 3488 from cnoeabs.peaks (3.43, 4.66, 59.51 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 Peak 3489 from cnoeabs.peaks (3.48, 4.66, 59.51 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.0=100 Peak 3493 from cnoeabs.peaks (7.55, 4.66, 59.51 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * QD PHE 83 + HA PHE 83 OK 100 100 - 100 - 3.7=100 H ILE 80 - HA PHE 83 OK 34 90 - 38 - 982/3.0=10, ~4491=8...(9) HE21 GLN 48 - HA PHE 83 lone 7 68 - 10 - 1.7/580=2, 572=2...(4) H TYR 33 - HA PHE 83 lone 3 68 - 5 - 982/3.0=2, 5139/7.2=1 Peak 3494 from cnoeabs.peaks (8.48, 3.43, 40.44 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 4.0=100 Peak 3495 from cnoeabs.peaks (4.66, 3.43, 40.44 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 3.0=100 Peak 3496 from cnoeabs.peaks (3.43, 3.43, 40.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + HB2 PHE 83 OK 100 100 - 100 Peak 3497 from cnoeabs.peaks (3.48, 3.43, 40.44 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 1.8=100 Peak 3501 from cnoeabs.peaks (7.55, 3.43, 40.44 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 2.4=100 Peak 3502 from cnoeabs.peaks (8.48, 3.48, 40.44 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 4.0=100 Peak 3503 from cnoeabs.peaks (4.66, 3.48, 40.44 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 3.0=100 Peak 3504 from cnoeabs.peaks (3.43, 3.48, 40.44 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 1.8=100 Peak 3505 from cnoeabs.peaks (3.48, 3.48, 40.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + HB3 PHE 83 OK 100 100 - 100 Peak 3509 from cnoeabs.peaks (7.55, 3.48, 40.44 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 2.4=100 Peak 3520 from cnoeabs.peaks (3.43, 6.98, 131.11 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 83 + QE PHE 83 OK 100 100 - 100 - 4.4=100 HB2 PHE 70 + QE PHE 70 OK 72 72 - 100 - 4.4=100 Peak 3521 from cnoeabs.peaks (3.48, 6.98, 131.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + QE PHE 83 OK 100 100 - 100 - 4.4=100 Peak 3524 from cnoeabs.peaks (6.98, 6.98, 131.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 83 + QE PHE 83 OK 100 100 - 100 QE PHE 70 + QE PHE 70 OK 62 62 - 100 Peak 3525 from cnoeabs.peaks (7.55, 6.98, 131.11 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + QE PHE 83 OK 100 100 - 100 - 2.2=100 Peak 3526 from cnoeabs.peaks (8.48, 7.55, 131.99 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 83 + QD PHE 83 OK 100 100 - 100 - 4.4=100 Peak 3527 from cnoeabs.peaks (4.66, 7.55, 131.99 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 83 + QD PHE 83 OK 100 100 - 100 - 3.7=100 Peak 3528 from cnoeabs.peaks (3.43, 7.55, 131.99 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.4=100 Peak 3529 from cnoeabs.peaks (3.48, 7.55, 131.99 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.4=100 Peak 3532 from cnoeabs.peaks (6.98, 7.55, 131.99 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.2=100 Peak 3533 from cnoeabs.peaks (7.55, 7.55, 131.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + QD PHE 83 OK 100 100 - 100 Peak 3534 from cnoeabs.peaks (7.95, 4.46, 58.26 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HA ASP 84 OK 100 100 - 100 - 2.9=100 Peak 3535 from cnoeabs.peaks (4.46, 4.46, 58.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HA ASP 84 OK 100 100 - 100 Peak 3536 from cnoeabs.peaks (3.19, 4.46, 58.26 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HA ASP 84 OK 100 100 - 100 - 3.0=100 Peak 3537 from cnoeabs.peaks (2.78, 4.46, 58.26 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + HA ASP 84 OK 100 100 - 100 - 3.0=100 Peak 3538 from cnoeabs.peaks (7.95, 3.19, 41.76 ppm; 3.61 A): 2 out of 5 assignments used, quality = 0.91: * H ASP 84 + HB2 ASP 84 OK 85 100 - 85 - 4.0=74, 986/1.8=24...(8) H ASP 81 + HB2 ASP 84 OK 40 100 - 41 - 985=9, 3.0/4497=8...(10) H VAL 30 - HB2 ASP 84 lone 7 83 - 8 - 3.9/6639=2, 3.9/6639=1 HE21 GLN 19 - HB2 ASP 84 lone 3 100 - 3 - HD21 ASN 14 - HB2 ASP 84 lone 3 78 - 3 - ~4527=2 Peak 3539 from cnoeabs.peaks (4.46, 3.19, 41.76 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HB2 ASP 84 OK 100 100 - 100 - 3.0=100 Peak 3540 from cnoeabs.peaks (3.19, 3.19, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HB2 ASP 84 OK 100 100 - 100 Peak 3541 from cnoeabs.peaks (2.78, 3.19, 41.76 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + HB2 ASP 84 OK 100 100 - 100 - 1.8=100 Peak 3542 from cnoeabs.peaks (7.95, 2.78, 41.76 ppm; 3.49 A): 5 out of 10 assignments used, quality = 0.92: * H ASP 84 + HB3 ASP 84 OK 81 100 - 81 - 4.0=67, 985/1.8=25...(8) H ASP 81 + HB3 ASP 84 OK 38 100 - 38 - 3538/1.8=10, 986=8...(8) HD21 ASN 14 + HB3 PHE 70 OK 14 75 - 19 - 3.5/4527=9, ~7118=9 H ASP 84 + HB3 PHE 70 OK 11 99 - 11 - 986=3, 388/1.8=1, 6618/6624=1 H ASP 81 + HB3 PHE 70 OK 11 98 - 11 - 3.6/6514=2, 4.4/6518=2...(4) H VAL 30 - HB3 PHE 70 poor 9 80 - 11 - 4.6/5085=2, 5054/4.4=1...(5) H VAL 30 - HB3 ASP 84 lone 6 83 - 8 - 3538/1.8=2, 4.6/5085=1 HD21 ASN 14 - HB3 ASP 84 lone 3 78 - 4 - 3.5/4527=2 HE21 GLN 19 - HB3 ASP 84 lone 3 100 - 3 - HE21 GLN 19 - HB3 PHE 70 lone 1 99 - 1 - Peak 3543 from cnoeabs.peaks (4.46, 2.78, 41.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HB3 ASP 84 OK 100 100 - 100 - 3.0=100 Peak 3544 from cnoeabs.peaks (3.19, 2.78, 41.76 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HB3 ASP 84 OK 100 100 - 100 - 1.8=100 Peak 3545 from cnoeabs.peaks (2.78, 2.78, 41.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 84 + HB3 ASP 84 OK 100 100 - 100 HB3 PHE 70 + HB3 PHE 70 OK 99 99 - 100 Peak 3546 from cnoeabs.peaks (8.62, 3.88, 45.91 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 85 + HA2 GLY 85 OK 100 100 - 100 - 3.0=100 Peak 3547 from cnoeabs.peaks (3.88, 3.88, 45.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 85 + HA2 GLY 85 OK 100 100 - 100 Peak 3548 from cnoeabs.peaks (4.26, 3.88, 45.91 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 85 + HA2 GLY 85 OK 100 100 - 100 - 1.8=100 Peak 3549 from cnoeabs.peaks (8.62, 4.26, 45.91 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 85 + HA3 GLY 85 OK 100 100 - 100 - 3.0=100 Peak 3550 from cnoeabs.peaks (3.88, 4.26, 45.91 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 85 + HA3 GLY 85 OK 100 100 - 100 - 1.8=100 Peak 3551 from cnoeabs.peaks (4.26, 4.26, 45.91 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 85 + HA3 GLY 85 OK 100 100 - 100 HA3 GLY 64 - HA3 GLY 64 OK 38 38 - 100 Peak 3552 from cnoeabs.peaks (8.01, 4.46, 54.83 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3553 from cnoeabs.peaks (4.46, 4.46, 54.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 3554 from cnoeabs.peaks (2.07, 4.46, 54.83 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3555 from cnoeabs.peaks (2.28, 4.46, 54.83 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3556 from cnoeabs.peaks (1.50, 4.46, 54.83 ppm; 3.67 A): 1 out of 8 assignments used, quality = 0.97: * HG2 LYS 86 + HA LYS 86 OK 97 100 - 97 - 4.0=78, 1.8/3557=33...(17) HG2 LYS 94 - HA LYS 86 OK 31 97 - 33 - 4.0/6864=6, 994/3.0=6...(10) HG13 ILE 93 - HA LYS 86 OK 28 68 - 42 - ~6658=8, ~6841=7...(10) HG3 LYS 41 - HA LYS 86 OK 14 95 - 14 - 1.8/3559=2, 994/3.0=2...(7) HB2 LYS 41 - HA LYS 86 poor 9 68 - 13 - ~5464=2, 5466/3.0=2...(6) HG LEU 53 - HA LYS 86 lone 6 100 - 5 - 994/3.0=1, ~6658=1 HG2 LYS 45 - HA LYS 86 lone 5 83 - 6 - HG2 LYS 44 - HA LYS 86 lone 3 76 - 4 - Peak 3557 from cnoeabs.peaks (1.25, 4.46, 54.83 ppm; 3.51 A): 1 out of 5 assignments used, quality = 0.94: * HG3 LYS 86 + HA LYS 86 OK 94 100 - 94 - 4.0=68, 995/3.0=24...(17) QB ALA 98 - HA LYS 86 lone 5 89 - 5 - 995/3.0=2, 406/3.6=1 QG2 THR 59 - HA LYS 86 lone 4 68 - 6 - 5917/6.4=1, 5918/3.0=1 QG2 THR 26 - HA LYS 86 lone 4 90 - 4 - 995/3.0=1 HG3 LYS 35 - HA LYS 86 lone 4 89 - 4 - 995/3.0=1 Peak 3558 from cnoeabs.peaks (1.54, 4.46, 54.83 ppm; 3.23 A): 4 out of 11 assignments used, quality = 0.93: * HD2 LYS 86 + HA LYS 86 OK 84 100 - 84 - 5.1=26, 3.0/3557=20...(20) HB3 LYS 94 + HA LYS 86 OK 27 100 - 28 - 3.0/6864=6, ~6669=5...(11) HG13 ILE 93 + HA LYS 86 OK 24 81 - 30 - ~6658=6, ~6841=5...(10) HB3 GLU 87 + HA LYS 86 OK 19 89 - 21 - 4.0/4350=15, 3.0/6688=4...(4) HB3 LYS 63 - HA LYS 86 poor 10 95 - 10 - 2906/3.0=3, 2.9/3559=2...(4) HB3 LEU 62 - HA LYS 86 lone 5 90 - 6 - 4256/3.0=2 HG3 LYS 44 - HA LYS 86 lone 2 96 - 2 - HB3 PRO 49 - HA LYS 86 lone 2 81 - 2 - HG2 LYS 45 - HA LYS 86 lone 2 65 - 2 - HG2 LYS 77 - HA LYS 86 lone 1 68 - 1 - HG3 LYS 77 - HA LYS 86 lone 1 65 - 1 - Peak 3559 from cnoeabs.peaks (1.42, 4.46, 54.83 ppm; 3.85 A): 1 out of 10 assignments used, quality = 0.95: * HD3 LYS 86 + HA LYS 86 OK 95 100 - 95 - 5.1=44, 3.0/3557=27...(20) HG3 LYS 94 - HA LYS 86 OK 27 83 - 32 - 1.8/3556=6, 4.0/6864=6...(10) HG3 LYS 63 - HA LYS 86 OK 16 96 - 17 - 997/3.0=3, 2.9/3558=2...(10) HG2 LYS 63 - HA LYS 86 OK 16 96 - 17 - 997/3.0=3, 2.9/3558=2...(10) HG2 LYS 41 - HA LYS 86 OK 10 73 - 14 - 1.8/3556=3, ~5466=2...(9) HG3 LYS 61 - HA LYS 86 lone 6 100 - 6 - 997/3.0=1 HG2 LYS 61 - HA LYS 86 lone 6 100 - 6 - 997/3.0=1 HG13 ILE 51 - HA LYS 86 lone 5 96 - 5 - 3613=1, 408/3.6=1 HG3 LYS 45 - HA LYS 86 lone 4 85 - 4 - 1.8/3556=1 QB ALA 78 - HA LYS 86 lone 1 76 - 2 - Peak 3562 from cnoeabs.peaks (8.01, 2.07, 32.16 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 4.0=100 Peak 3563 from cnoeabs.peaks (4.46, 2.07, 32.16 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3564 from cnoeabs.peaks (2.07, 2.07, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 Peak 3565 from cnoeabs.peaks (2.28, 2.07, 32.16 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3566 from cnoeabs.peaks (1.50, 2.07, 32.16 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3567 from cnoeabs.peaks (1.25, 2.07, 32.16 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3568 from cnoeabs.peaks (1.54, 2.07, 32.16 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3569 from cnoeabs.peaks (1.42, 2.07, 32.16 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3572 from cnoeabs.peaks (8.01, 2.28, 32.16 ppm; 3.76 A): 1 out of 8 assignments used, quality = 0.98: * H LYS 86 + HB3 LYS 86 OK 98 100 - 98 - 4.0=80, 992/1.8=38...(21) H LYS 63 - HB3 LYS 86 OK 18 93 - 19 - 3582/2.8=4, 3592/2.8=3...(6) H GLY 22 - HB3 LYS 86 OK 14 93 - 15 - 3592/2.8=3, 3582/2.8=3...(6) H PHE 34 - HB3 LYS 86 poor 9 73 - 12 - 3592/2.8=2, 3582/2.8=2...(5) H LYS 86 - HG2 MET 50 lone 5 89 - 6 - 993=2 H LYS 63 - HG2 MET 50 lone 4 78 - 5 - 4.6/5701=3, 3.6/7091=1 H GLY 22 - HG2 MET 50 lone 3 78 - 3 - H PHE 34 - HG2 MET 50 lone 2 59 - 3 - 5189/2.9=1 Peak 3573 from cnoeabs.peaks (4.46, 2.28, 32.16 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3574 from cnoeabs.peaks (2.07, 2.28, 32.16 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3575 from cnoeabs.peaks (2.28, 2.28, 32.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 HG2 MET 50 + HG2 MET 50 OK 84 84 - 100 Peak 3576 from cnoeabs.peaks (1.50, 2.28, 32.16 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3577 from cnoeabs.peaks (1.25, 2.28, 32.16 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3578 from cnoeabs.peaks (1.54, 2.28, 32.16 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3579 from cnoeabs.peaks (1.42, 2.28, 32.16 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3582 from cnoeabs.peaks (8.01, 1.50, 25.90 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 86 + HG2 LYS 86 OK 99 100 - 99 - 4.7=76, 995/1.8=40...(23) H LYS 63 - HG2 LYS 86 OK 22 93 - 23 - 3592/1.8=5, 3602/3.0=5...(6) H GLY 22 - HG2 LYS 86 OK 17 93 - 18 - 3592/1.8=4, 3572/2.8=3...(6) H PHE 34 - HG2 LYS 86 OK 12 73 - 16 - 3592/1.8=4, 3572/2.8=2...(8) Peak 3583 from cnoeabs.peaks (4.46, 1.50, 25.90 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 4.0=97, 3557/1.8=36...(17) HA ASP 84 - HG2 LYS 86 OK 42 100 - 42 - 6622/4.7=13, 3593/1.8=9...(9) HA THR 46 - HG2 LYS 86 OK 21 99 - 21 - 3593/1.8=4, 3603/3.0=4...(8) HA PHE 88 - HG2 LYS 86 OK 12 83 - 14 - 402/4.8=4, 3593/1.8=3...(7) Peak 3584 from cnoeabs.peaks (2.07, 1.50, 25.90 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3585 from cnoeabs.peaks (2.28, 1.50, 25.90 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3586 from cnoeabs.peaks (1.50, 1.50, 25.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (1.25, 1.50, 25.90 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3588 from cnoeabs.peaks (1.54, 1.50, 25.90 ppm; 2.64 A): 2 out of 11 assignments used, quality = 0.89: * HD2 LYS 86 + HG2 LYS 86 OK 87 100 - 87 - 3.0=71, 1.8/3616=15...(15) HB3 LYS 94 + HG2 LYS 86 OK 13 100 - 13 - 3868=3, 3558/4.0=2...(5) HB3 GLU 87 - HG2 LYS 86 lone 7 89 - 8 - 4.0/405=6, 3558/4.0=1 HG13 ILE 93 - HG2 LYS 86 lone 6 81 - 8 - ~6841=3, 3558/4.0=2, 996/4.7=1 HB3 LYS 63 - HG2 LYS 86 lone 3 95 - 4 - 3.9/3582=1 HB3 LEU 62 - HG2 LYS 86 lone 3 90 - 3 - 4.4/3582=1 HG3 LYS 44 - HG2 LYS 86 lone 1 96 - 1 - HB3 PRO 49 - HG2 LYS 86 lone 1 81 - 1 - HG2 LYS 45 - HG2 LYS 86 lone 1 65 - 1 - HG2 LYS 77 - HG2 LYS 86 lone 0 68 - 0 - HG3 LYS 77 - HG2 LYS 86 lone 0 65 - 0 - Peak 3589 from cnoeabs.peaks (1.42, 1.50, 25.90 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3590 from cnoeabs.peaks (2.45, 1.50, 25.90 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=100 Peak 3591 from cnoeabs.peaks (2.67, 1.50, 25.90 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.9=100 Peak 3592 from cnoeabs.peaks (8.01, 1.25, 25.90 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.97: * H LYS 86 + HG3 LYS 86 OK 97 100 - 97 - 4.7=59, 993/2.8=36...(19) H LYS 63 - HG3 LYS 86 OK 18 93 - 19 - 3582/1.8=5, 3602/3.0=4...(5) H GLY 22 - HG3 LYS 86 OK 15 93 - 16 - 3582/1.8=4, 3572/2.8=3...(5) H PHE 34 - HG3 LYS 86 OK 11 73 - 15 - 3582/1.8=3, 3572/2.8=2...(6) Peak 3593 from cnoeabs.peaks (4.46, 1.25, 25.90 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.98: * HA LYS 86 + HG3 LYS 86 OK 98 100 - 98 - 4.0=83, 3.0/995=27...(17) HA ASP 84 - HG3 LYS 86 OK 35 100 - 36 - 6622/4.7=12, 3583/1.8=8...(7) HA THR 46 - HG3 LYS 86 OK 18 99 - 18 - 3583/1.8=4, 3603/3.0=3...(7) HA PHE 88 - HG3 LYS 86 OK 10 83 - 12 - 402/4.8=3, 3583/1.8=2...(7) Peak 3594 from cnoeabs.peaks (2.07, 1.25, 25.90 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3595 from cnoeabs.peaks (2.28, 1.25, 25.90 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 2.8=100 Peak 3596 from cnoeabs.peaks (1.50, 1.25, 25.90 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3597 from cnoeabs.peaks (1.25, 1.25, 25.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 Peak 3598 from cnoeabs.peaks (1.54, 1.25, 25.90 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3599 from cnoeabs.peaks (1.42, 1.25, 25.90 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3600 from cnoeabs.peaks (2.45, 1.25, 25.90 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 Peak 3601 from cnoeabs.peaks (2.67, 1.25, 25.90 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.9=100 Peak 3602 from cnoeabs.peaks (8.01, 1.54, 27.73 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 86 + HD2 LYS 86 OK 99 100 - 99 - 5.7=56, 993/3.4=39...(22) H LYS 63 - HD2 LYS 86 OK 26 93 - 28 - 3582/3.0=5, 3592/3.0=5...(9) H GLY 22 - HD2 LYS 86 OK 18 93 - 19 - 3582/3.0=4, 3592/3.0=4...(6) H PHE 34 - HD2 LYS 86 OK 12 73 - 15 - 3592/3.0=3, 3582/3.0=3...(5) Peak 3603 from cnoeabs.peaks (4.46, 1.54, 27.73 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.94: * HA LYS 86 + HD2 LYS 86 OK 90 100 - 90 - 5.1=34, 3557/3.0=23...(20) HA ASP 84 + HD2 LYS 86 OK 34 100 - 34 - 6622/5.7=8, 3613/1.8=6...(8) HA THR 46 + HD2 LYS 86 OK 17 99 - 17 - 3613/1.8=3, 3583/3.0=3...(6) HA PHE 88 - HD2 LYS 86 poor 9 83 - 11 - 3.0/414=2, 3613/1.8=2...(7) Peak 3604 from cnoeabs.peaks (2.07, 1.54, 27.73 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3605 from cnoeabs.peaks (2.28, 1.54, 27.73 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3606 from cnoeabs.peaks (1.50, 1.54, 27.73 ppm; 2.73 A): 2 out of 8 assignments used, quality = 0.93: * HG2 LYS 86 + HD2 LYS 86 OK 91 100 - 91 - 3.0=79, 3616/1.8=15...(15) HG2 LYS 94 + HD2 LYS 86 OK 17 97 - 17 - 3877=4, 1.8/3887=3...(6) HG3 LYS 41 - HD2 LYS 86 lone 8 95 - 9 - 3616/1.8=2 HG13 ILE 93 - HD2 LYS 86 poor 8 68 - 12 - ~6841=3, 3877=2...(4) HB2 LYS 41 - HD2 LYS 86 lone 6 68 - 8 - 3616/1.8=1 HG LEU 53 - HD2 LYS 86 lone 3 100 - 3 - HG2 LYS 45 - HD2 LYS 86 lone 3 83 - 3 - HG2 LYS 44 - HD2 LYS 86 lone 2 76 - 3 - Peak 3607 from cnoeabs.peaks (1.25, 1.54, 27.73 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3608 from cnoeabs.peaks (1.54, 1.54, 27.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 3609 from cnoeabs.peaks (1.42, 1.54, 27.73 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3610 from cnoeabs.peaks (2.45, 1.54, 27.73 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3611 from cnoeabs.peaks (2.67, 1.54, 27.73 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3612 from cnoeabs.peaks (8.01, 1.42, 27.73 ppm; 4.88 A): 1 out of 8 assignments used, quality = 0.99: * H LYS 86 + HD3 LYS 86 OK 99 100 - 99 - 5.7=64, 993/3.4=41...(20) H LYS 63 - HG13 ILE 51 OK 29 81 - 35 - 287/1.8=11, 7053/4.0=9...(8) H LYS 63 - HD3 LYS 86 OK 28 93 - 29 - 3602/1.8=7, 3582/3.0=6...(8) H GLY 22 - HD3 LYS 86 OK 20 93 - 21 - 3602/1.8=5, 3582/3.0=4...(6) H PHE 34 - HD3 LYS 86 OK 14 73 - 19 - 3592/3.0=3, 3602/1.8=3...(6) H PHE 34 - HG13 ILE 51 OK 14 62 - 22 - 5224/5758=6, 5192/2.1=4...(6) H LYS 86 - HG13 ILE 51 poor 10 92 - 10 - 997=2, 4.6/408=1, 3.0/3559=1 H GLY 22 - HG13 ILE 51 poor 8 81 - 10 - 62/5757=2, 62/5757=2 Peak 3613 from cnoeabs.peaks (4.46, 1.42, 27.73 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.96: * HA LYS 86 + HD3 LYS 86 OK 95 100 - 95 - 5.1=43, 3557/3.0=27...(20) HA ASP 84 + HD3 LYS 86 OK 36 100 - 36 - 6622/5.7=9, 3603/1.8=9...(6) HA THR 46 - HD3 LYS 86 OK 20 99 - 20 - 3603/1.8=5, 3583/3.0=3...(7) HA PHE 88 - HG13 ILE 51 OK 12 71 - 17 - 6713/3.2=5, ~6714=3...(6) HA PHE 88 - HD3 LYS 86 OK 10 83 - 12 - 3603/1.8=3, 3593/3.0=2...(7) HA ASP 84 - HG13 ILE 51 lone 9 91 - 9 - ~5710=2, ~5704=1, ~5739=1 HA LYS 86 - HG13 ILE 51 lone 5 92 - 5 - 3559=1, 3.6/408=1 HA THR 46 - HG13 ILE 51 lone 4 88 - 4 - ~5712=3 Peak 3614 from cnoeabs.peaks (2.07, 1.42, 27.73 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3615 from cnoeabs.peaks (2.28, 1.42, 27.73 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.4=100 Peak 3616 from cnoeabs.peaks (1.50, 1.42, 27.73 ppm; 2.80 A): 1 out of 16 assignments used, quality = 0.95: * HG2 LYS 86 + HD3 LYS 86 OK 95 100 - 95 - 3.0=85, 3588/1.8=25...(15) HG LEU 53 - HG13 ILE 51 OK 28 91 - 31 - 7095/3.2=12, ~5759=10...(7) HG2 LYS 94 - HD3 LYS 86 OK 14 97 - 15 - 3606/1.8=4, 3626/3.0=2...(6) HG3 LYS 41 - HD3 LYS 86 OK 11 95 - 11 - 3606/1.8=2, 3636/3.0=1 HG13 ILE 93 - HD3 LYS 86 poor 8 68 - 11 - ~6841=3, 3606/1.8=2, 3556/5.1=1 HB2 LYS 41 - HD3 LYS 86 poor 7 68 - 10 - 3606/1.8=1 HG13 ILE 93 - HG13 ILE 51 poor 6 57 - 10 - ~6852=3, ~3840=2...(5) HG2 LYS 94 - HG13 ILE 51 lone 4 85 - 5 - HG LEU 53 - HD3 LYS 86 lone 3 100 - 3 - HG2 LYS 45 - HD3 LYS 86 lone 3 83 - 4 - HG2 LYS 44 - HD3 LYS 86 lone 3 76 - 3 - HG3 LYS 41 - HG13 ILE 51 lone 3 83 - 3 - HG2 LYS 86 - HG13 ILE 51 lone 2 92 - 2 - HG2 LYS 44 - HG13 ILE 51 lone 2 64 - 3 - ~5744=1 HB2 LYS 41 - HG13 ILE 51 lone 1 57 - 3 - HG2 LYS 45 - HG13 ILE 51 lone 1 71 - 1 - Peak 3617 from cnoeabs.peaks (1.25, 1.42, 27.73 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3618 from cnoeabs.peaks (1.54, 1.42, 27.73 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3619 from cnoeabs.peaks (1.42, 1.42, 27.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HG13 ILE 51 + HG13 ILE 51 OK 84 84 - 100 Peak 3620 from cnoeabs.peaks (2.45, 1.42, 27.73 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3621 from cnoeabs.peaks (2.67, 1.42, 27.73 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3623 from cnoeabs.peaks (4.46, 2.45, 42.29 ppm; 5.14 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 6.4=51, 3557/3.9=34...(13) HA ASP 84 + HE2 LYS 86 OK 47 100 - 47 - 6622/7.0=13, 3603/3.0=10...(6) HA THR 46 - HE2 LYS 86 OK 28 99 - 28 - 3633/1.8=6, 3603/3.0=5...(7) HA PHE 88 - HE2 LYS 86 OK 14 83 - 17 - 3633/1.8=3, 3603/3.0=3...(6) HA LYS 86 - HB3 ASP 56 poor 9 80 - 11 - 3.0/3625=3, 4.0/3627=2...(4) HA ASP 84 - HB3 ASP 56 lone 2 79 - 2 - HA PHE 88 - HB3 ASP 56 lone 2 59 - 3 - HA THR 46 - HB3 ASP 56 lone 1 76 - 2 - Peak 3624 from cnoeabs.peaks (2.07, 2.45, 42.29 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 4.7=100 Peak 3625 from cnoeabs.peaks (2.28, 2.45, 42.29 ppm; 4.06 A): 1 out of 10 assignments used, quality = 0.97: * HB3 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 4.7=64, 3635/1.8=28...(18) HB3 LYS 86 - HB3 ASP 56 poor 10 80 - 12 - 2.8/3627=2, 2.8/3626=2...(5) HG2 GLU 28 - HE2 LYS 86 lone 6 83 - 7 - 5.1/691=2, 3635/1.8=1, ~3634=1 HG2 MET 50 - HE2 LYS 86 lone 4 98 - 4 - 3635/1.8=1 HG3 GLN 36 - HE2 LYS 86 lone 3 81 - 4 - HB3 PRO 73 - HE2 LYS 86 lone 3 90 - 3 - 7197/1.8=2 HG3 GLN 36 - HB3 ASP 56 lone 1 57 - 2 - HG2 MET 50 - HB3 ASP 56 lone 1 75 - 2 - HB3 PRO 73 - HB3 ASP 56 lone 1 66 - 2 - HG2 GLU 28 - HB3 ASP 56 lone 1 59 - 1 - Peak 3626 from cnoeabs.peaks (1.50, 2.45, 42.29 ppm; 3.60 A): 1 out of 16 assignments used, quality = 0.97: * HG2 LYS 86 + HE2 LYS 86 OK 97 100 - 97 - 3.9=81, 3588/3.0=25...(11) HG2 LYS 94 - HE2 LYS 86 OK 17 97 - 18 - 3606/3.0=4, 3636/1.8=4...(8) HG3 LYS 41 - HE2 LYS 86 poor 10 95 - 10 - 3636/1.8=2, 3606/3.0=2 HG2 LYS 86 - HB3 ASP 56 poor 9 80 - 11 - 1.8/3627=2, 2.8/3625=2...(4) HB2 LYS 41 - HE2 LYS 86 poor 7 68 - 11 - 3636/1.8=2, 3606/3.0=1...(6) HG13 ILE 93 - HE2 LYS 86 lone 6 68 - 9 - 3606/3.0=2, 3616/3.0=1...(5) HG2 LYS 44 - HE2 LYS 86 lone 5 76 - 6 - HG LEU 53 - HE2 LYS 86 lone 4 100 - 4 - HG2 LYS 45 - HE2 LYS 86 lone 3 83 - 4 - HG2 LYS 44 - HB3 ASP 56 lone 1 53 - 2 - HG2 LYS 94 - HB3 ASP 56 lone 1 73 - 1 - HG3 LYS 41 - HB3 ASP 56 lone 1 71 - 1 - HB2 LYS 41 - HB3 ASP 56 lone 1 47 - 2 - HG LEU 53 - HB3 ASP 56 lone 1 79 - 1 - HG13 ILE 93 - HB3 ASP 56 lone 0 47 - 1 - HG2 LYS 45 - HB3 ASP 56 lone 0 59 - 1 - Peak 3627 from cnoeabs.peaks (1.25, 2.45, 42.29 ppm; 3.71 A): 1 out of 10 assignments used, quality = 0.98: * HG3 LYS 86 + HE2 LYS 86 OK 98 100 - 98 - 3.9=88, 3637/1.8=31...(12) QG2 THR 59 - HB3 ASP 56 OK 17 47 - 35 - 4.0/5905=11, 4.2/5932=11...(5) QG2 THR 59 - HE2 LYS 86 OK 13 68 - 19 - 4.0/5905=5, 4.2/5932=4...(6) HG3 LYS 86 - HB3 ASP 56 poor 9 80 - 12 - 6664/3.0=3, 1.8/3626=2...(4) HG3 LYS 35 - HE2 LYS 86 lone 3 89 - 4 - QG2 THR 26 - HE2 LYS 86 lone 3 90 - 3 - QB ALA 98 - HE2 LYS 86 lone 2 89 - 3 - QB ALA 98 - HB3 ASP 56 lone 1 65 - 2 - HG3 LYS 35 - HB3 ASP 56 lone 1 65 - 1 - QG2 THR 26 - HB3 ASP 56 lone 1 66 - 1 - Peak 3628 from cnoeabs.peaks (1.54, 2.45, 42.29 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3629 from cnoeabs.peaks (1.42, 2.45, 42.29 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3630 from cnoeabs.peaks (2.45, 2.45, 42.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 HB3 ASP 56 + HB3 ASP 56 OK 79 79 - 100 Peak 3631 from cnoeabs.peaks (2.67, 2.45, 42.29 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3633 from cnoeabs.peaks (4.46, 2.67, 42.29 ppm; 5.20 A): 2 out of 4 assignments used, quality = 0.99: * HA LYS 86 + HE3 LYS 86 OK 98 100 - 98 - 6.4=53, 3557/3.9=35...(13) HA ASP 84 + HE3 LYS 86 OK 47 100 - 48 - 6622/7.0=13, 3603/3.0=10...(6) HA THR 46 - HE3 LYS 86 OK 28 99 - 28 - 3623/1.8=6, 3603/3.0=5...(7) HA PHE 88 - HE3 LYS 86 OK 14 83 - 17 - 3623/1.8=3, 3603/3.0=3...(6) Peak 3634 from cnoeabs.peaks (2.07, 2.67, 42.29 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 4.7=97, 2.8/3637=36...(17) HB2 GLU 28 - HE3 LYS 86 lone 7 99 - 7 - 4996/3.9=3, 3.0/3635=2, ~3625=1 HB2 LYS 35 - HE3 LYS 86 lone 3 85 - 4 - 3.0/3637=1, 5243/7.0=1 HB3 GLU 23 - HE3 LYS 86 lone 2 98 - 2 - Peak 3635 from cnoeabs.peaks (2.28, 2.67, 42.29 ppm; 4.49 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LYS 86 + HE3 LYS 86 OK 99 100 - 99 - 4.7=87, 2.8/3637=34...(17) HG2 GLU 28 - HE3 LYS 86 lone 5 83 - 6 - 3625/1.8=2, 3.0/3634=2 HB3 PRO 73 - HE3 LYS 86 lone 5 90 - 5 - 7197=2, 3625/1.8=1 HG2 MET 50 - HE3 LYS 86 lone 4 98 - 4 - 3625/1.8=1 HG3 GLN 36 - HE3 LYS 86 lone 2 81 - 2 - 3625/1.8=1 Peak 3636 from cnoeabs.peaks (1.50, 2.67, 42.29 ppm; 3.75 A): 1 out of 8 assignments used, quality = 0.99: * HG2 LYS 86 + HE3 LYS 86 OK 99 100 - 99 - 3.9=91, 1.8/3637=32...(11) HG2 LYS 94 - HE3 LYS 86 OK 17 97 - 17 - 3606/3.0=4, 3626/1.8=4...(7) HG3 LYS 41 - HE3 LYS 86 OK 10 95 - 11 - 3626/1.8=2, 3606/3.0=2 HB2 LYS 41 - HE3 LYS 86 poor 8 68 - 11 - 3626/1.8=2, 3606/3.0=2...(6) HG13 ILE 93 - HE3 LYS 86 lone 6 68 - 9 - 3606/3.0=2, 3616/3.0=1...(5) HG2 LYS 44 - HE3 LYS 86 lone 4 76 - 5 - 3626/1.8=1 HG LEU 53 - HE3 LYS 86 lone 4 100 - 4 - HG2 LYS 45 - HE3 LYS 86 lone 3 83 - 4 - Peak 3637 from cnoeabs.peaks (1.25, 2.67, 42.29 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.99: * HG3 LYS 86 + HE3 LYS 86 OK 99 100 - 99 - 3.9=95, 3627/1.8=25...(12) QG2 THR 59 - HE3 LYS 86 lone 6 68 - 9 - 5917/1.8=4, ~5911=1...(4) HG3 LYS 35 - HE3 LYS 86 lone 3 89 - 3 - QG2 THR 26 - HE3 LYS 86 lone 2 90 - 2 - QB ALA 98 - HE3 LYS 86 lone 2 89 - 2 - Peak 3638 from cnoeabs.peaks (1.54, 2.67, 42.29 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3639 from cnoeabs.peaks (1.42, 2.67, 42.29 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 3.0=100 Peak 3640 from cnoeabs.peaks (2.45, 2.67, 42.29 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 1.8=100 Peak 3641 from cnoeabs.peaks (2.67, 2.67, 42.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 Peak 3642 from cnoeabs.peaks (8.19, 4.70, 55.31 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3643 from cnoeabs.peaks (4.70, 4.70, 55.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HA GLU 87 OK 100 100 - 100 Peak 3644 from cnoeabs.peaks (1.88, 4.70, 55.31 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3645 from cnoeabs.peaks (1.56, 4.70, 55.31 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3646 from cnoeabs.peaks (1.80, 4.70, 55.31 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.8=100 Peak 3647 from cnoeabs.peaks (2.20, 4.70, 55.31 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.8=100 Peak 3648 from cnoeabs.peaks (8.19, 1.88, 31.71 ppm; 3.65 A): 2 out of 8 assignments used, quality = 0.92: * H GLU 87 + HB2 GLU 87 OK 90 100 - 90 - 4.0=74, 3654/1.8=26...(5) H GLY 20 + HB2 GLU 87 OK 19 83 - 23 - 3654/1.8=7, 3660/3.0=5...(6) H GLU 87 - HB2 PRO 92 poor 8 70 - 12 - 1002=4, 4.6/413=3...(6) H GLY 20 - HB2 PRO 92 lone 4 51 - 8 - 1072/4.1=6 H GLU 87 - HB3 LYS 44 lone 3 55 - 5 - 1002=1, 1002/1.8=1 H GLU 87 - HB2 LYS 44 lone 2 46 - 5 - 1002=1, 1002/1.8=1 H GLY 20 - HB3 LYS 44 lone 0 39 - 1 - H GLY 20 - HB2 LYS 44 lone 0 33 - 1 - Peak 3649 from cnoeabs.peaks (4.70, 1.88, 31.71 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3650 from cnoeabs.peaks (1.88, 1.88, 31.71 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 87 + HB2 GLU 87 OK 100 100 - 100 HB2 PRO 92 + HB2 PRO 92 OK 56 56 - 100 HB3 LYS 44 - HB3 LYS 44 OK 37 37 - 100 HB2 LYS 44 - HB2 LYS 44 OK 28 28 - 100 Peak 3651 from cnoeabs.peaks (1.56, 1.88, 31.71 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 3652 from cnoeabs.peaks (1.80, 1.88, 31.71 ppm; 2.83 A): 4 out of 28 assignments used, quality = 0.91: * HG2 GLU 87 + HB2 GLU 87 OK 87 100 - 87 - 3.0=84, 3660/4.0=8...(5) HG2 GLU 87 + HB2 PRO 92 OK 16 70 - 23 - 7166/2.3=11, 6684/3.0=9 HB ILE 93 + HB2 GLU 87 OK 11 99 - 11 - 415/4.1=4, 1004/4.0=2, ~6819=2 HB ILE 93 + HB2 PRO 92 OK 10 67 - 16 - 4.0/4372=2, ~6822=2...(10) HB ILE 39 - HB2 PRO 92 lone 2 47 - 3 - HG LEU 62 - HB2 GLU 87 lone 1 97 - 1 - HB2 LYS 94 - HB2 GLU 87 lone 1 78 - 2 - HB3 GLU 65 - HB2 GLU 87 lone 1 73 - 2 - HB2 GLN 48 - HB2 GLU 87 lone 1 99 - 1 - HB2 LYS 94 - HB3 LYS 44 lone 1 36 - 3 - HB2 LYS 94 - HB2 LYS 44 lone 1 30 - 3 - HG2 GLU 87 - HB3 LYS 44 lone 1 55 - 1 - HB ILE 39 - HB3 LYS 44 lone 1 36 - 1 - HG2 GLU 87 - HB2 LYS 44 lone 0 46 - 1 - HB ILE 39 - HB2 GLU 87 lone 0 78 - 0 - HB ILE 39 - HB2 LYS 44 lone 0 30 - 1 - HG LEU 62 - HB2 PRO 92 lone 0 64 - 1 - HG LEU 62 - HB3 LYS 44 lone 0 49 - 1 - HB ILE 93 - HB3 LYS 44 lone 0 52 - 1 - HB2 GLN 48 - HB2 PRO 92 lone 0 68 - 0 - HB3 GLU 65 - HB2 PRO 92 lone 0 44 - 1 - HB ILE 93 - HB2 LYS 44 lone 0 44 - 0 - HB2 LYS 94 - HB2 PRO 92 lone 0 47 - 0 - HG LEU 62 - HB2 LYS 44 lone 0 42 - 0 - HB2 GLN 48 - HB3 LYS 44 lone 0 53 - 0 - HB3 GLU 65 - HB3 LYS 44 lone 0 33 - 1 - HB2 GLN 48 - HB2 LYS 44 lone 0 45 - 0 - HB3 GLU 65 - HB2 LYS 44 lone 0 28 - 1 - Peak 3653 from cnoeabs.peaks (2.20, 1.88, 31.71 ppm; 2.76 A): 2 out of 2 assignments used, quality = 0.64: HG3 PRO 92 + HB2 PRO 92 OK 44 44 - 100 - 2.3=100 HB3 PRO 92 + HB2 PRO 92 OK 37 37 - 100 - 1.8=100 Reference assignment not found: HG3 GLU 87 - HB2 GLU 87 Peak 3654 from cnoeabs.peaks (8.19, 1.56, 31.71 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 87 + HB3 GLU 87 OK 97 100 - 97 - 4.0=91, 1002/1.8=34...(8) H GLY 20 - HB3 GLU 87 OK 26 83 - 31 - 3660/3.0=6, 3648/1.8=6...(10) Peak 3655 from cnoeabs.peaks (4.70, 1.56, 31.71 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3656 from cnoeabs.peaks (1.88, 1.56, 31.71 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 3657 from cnoeabs.peaks (1.56, 1.56, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 Peak 3658 from cnoeabs.peaks (1.80, 1.56, 31.71 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3659 from cnoeabs.peaks (2.20, 1.56, 31.71 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3660 from cnoeabs.peaks (8.19, 1.80, 36.11 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.90: * H GLU 87 + HG2 GLU 87 OK 86 100 - 86 - 5.0=55, 1005/1.8=31...(5) H GLY 20 + HG2 GLU 87 OK 26 83 - 31 - 3666/1.8=8, 3654/3.0=7...(7) Peak 3661 from cnoeabs.peaks (4.70, 1.80, 36.11 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 3.8=100 Peak 3662 from cnoeabs.peaks (1.88, 1.80, 36.11 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3663 from cnoeabs.peaks (1.56, 1.80, 36.11 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3664 from cnoeabs.peaks (1.80, 1.80, 36.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 Peak 3665 from cnoeabs.peaks (2.20, 1.80, 36.11 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 3666 from cnoeabs.peaks (8.19, 2.20, 36.11 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.88: * H GLU 87 + HG3 GLU 87 OK 78 100 - 78 - 5.0=40, 1002/3.0=25...(6) H GLY 20 + HG2 GLU 65 OK 28 76 - 37 - 4764/3.9=13, 4.6/7176=7...(8) H GLY 20 + HG3 GLU 87 OK 27 83 - 33 - 3660/1.8=7, 3654/3.0=6...(10) H GLU 87 - HG2 GLU 65 lone 8 97 - 8 - 1005=3, 4.6/4363=1 Peak 3667 from cnoeabs.peaks (4.70, 2.20, 36.11 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 3.8=100 Peak 3668 from cnoeabs.peaks (1.88, 2.20, 36.11 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3669 from cnoeabs.peaks (1.56, 2.20, 36.11 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 3670 from cnoeabs.peaks (1.80, 2.20, 36.11 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 3671 from cnoeabs.peaks (2.20, 2.20, 36.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG2 GLU 65 + HG2 GLU 65 OK 96 96 - 100 Peak 3672 from cnoeabs.peaks (9.16, 4.48, 56.41 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HA PHE 88 OK 100 100 - 100 - 3.0=100 Peak 3673 from cnoeabs.peaks (4.48, 4.48, 56.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 88 + HA PHE 88 OK 100 100 - 100 Peak 3674 from cnoeabs.peaks (2.18, 4.48, 56.41 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 88 + HA PHE 88 OK 100 100 - 100 - 3.0=100 Peak 3675 from cnoeabs.peaks (2.87, 4.48, 56.41 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 88 + HA PHE 88 OK 100 100 - 100 - 3.0=100 Peak 3679 from cnoeabs.peaks (6.21, 4.48, 56.41 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + HA PHE 88 OK 100 100 - 100 - 3.7=100 Peak 3680 from cnoeabs.peaks (9.16, 2.18, 41.86 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HB2 PHE 88 OK 100 100 - 100 - 3.6=100 Peak 3681 from cnoeabs.peaks (4.48, 2.18, 41.86 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 88 + HB2 PHE 88 OK 100 100 - 100 - 3.0=100 Peak 3682 from cnoeabs.peaks (2.18, 2.18, 41.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 88 + HB2 PHE 88 OK 100 100 - 100 Peak 3683 from cnoeabs.peaks (2.87, 2.18, 41.86 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 88 + HB2 PHE 88 OK 100 100 - 100 - 1.8=100 Peak 3686 from cnoeabs.peaks (6.95, 2.18, 41.86 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 88 + HB2 PHE 88 OK 100 100 - 100 - 4.4=100 Peak 3687 from cnoeabs.peaks (6.21, 2.18, 41.86 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + HB2 PHE 88 OK 100 100 - 100 - 2.5=100 Peak 3688 from cnoeabs.peaks (9.16, 2.87, 41.86 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HB3 PHE 88 OK 100 100 - 100 - 3.6=100 Peak 3689 from cnoeabs.peaks (4.48, 2.87, 41.86 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 88 + HB3 PHE 88 OK 100 100 - 100 - 3.0=100 Peak 3690 from cnoeabs.peaks (2.18, 2.87, 41.86 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 88 + HB3 PHE 88 OK 100 100 - 100 - 1.8=100 Peak 3691 from cnoeabs.peaks (2.87, 2.87, 41.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 88 + HB3 PHE 88 OK 100 100 - 100 Peak 3694 from cnoeabs.peaks (6.95, 2.87, 41.86 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 88 + HB3 PHE 88 OK 100 100 - 100 - 4.4=100 Peak 3695 from cnoeabs.peaks (6.21, 2.87, 41.86 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + HB3 PHE 88 OK 100 100 - 100 - 2.5=100 Peak 3710 from cnoeabs.peaks (6.95, 6.95, 130.60 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: * QE PHE 88 + QE PHE 88 OK 96 96 - 100 QE PHE 70 + QE PHE 70 OK 57 57 - 100 Peak 3711 from cnoeabs.peaks (6.21, 6.95, 130.60 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.96: * QD PHE 88 + QE PHE 88 OK 96 96 - 100 - 2.2=100 Peak 3713 from cnoeabs.peaks (4.48, 6.21, 132.05 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.97: * HA PHE 88 + QD PHE 88 OK 97 97 - 100 - 3.7=100 Peak 3714 from cnoeabs.peaks (2.18, 6.21, 132.05 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.97: * HB2 PHE 88 + QD PHE 88 OK 97 97 - 100 - 2.5=100 Peak 3715 from cnoeabs.peaks (2.87, 6.21, 132.05 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.97: * HB3 PHE 88 + QD PHE 88 OK 97 97 - 100 - 2.5=100 Peak 3718 from cnoeabs.peaks (6.95, 6.21, 132.05 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.97: * QE PHE 88 + QD PHE 88 OK 97 97 - 100 - 2.2=100 Peak 3719 from cnoeabs.peaks (6.21, 6.21, 132.05 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * QD PHE 88 + QD PHE 88 OK 96 96 - 100 Peak 3720 from cnoeabs.peaks (3.80, 3.80, 58.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 89 + HA SER 89 OK 100 100 - 100 Peak 3721 from cnoeabs.peaks (3.45, 3.80, 58.05 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 89 + HA SER 89 OK 100 100 - 100 - 3.0=100 Peak 3722 from cnoeabs.peaks (4.00, 3.80, 58.05 ppm; 2.98 A): 1 out of 6 assignments used, quality = 0.96: * HB3 SER 89 + HA SER 89 OK 96 100 - 96 - 3.0=96, ~3726=5 HA SER 75 - HA SER 89 lone 1 78 - 1 - HA ARG 57 - HA SER 89 lone 1 73 - 1 - HB2 SER 29 - HA SER 89 lone 1 97 - 1 - HA LYS 44 - HA SER 89 lone 1 100 - 1 - HA GLU 28 - HA SER 89 lone 0 90 - 0 - Peak 3723 from cnoeabs.peaks (3.80, 3.45, 62.26 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 89 + HB2 SER 89 OK 100 100 - 100 - 3.0=100 Peak 3724 from cnoeabs.peaks (3.45, 3.45, 62.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 89 + HB2 SER 89 OK 100 100 - 100 Peak 3725 from cnoeabs.peaks (4.00, 3.45, 62.26 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 89 + HB2 SER 89 OK 100 100 - 100 - 1.8=100 Peak 3726 from cnoeabs.peaks (3.80, 4.00, 62.26 ppm; 2.92 A): 1 out of 14 assignments used, quality = 0.91: * HA SER 89 + HB3 SER 89 OK 91 100 - 91 - 3.0=91, ~3722=5 HD2 PRO 92 - HB3 SER 89 lone 7 99 - 7 - 4.8/6736=5 HA ILE 40 - HB2 SER 29 lone 6 72 - 9 - 5409/1.8=2 HA ILE 40 - HB3 SER 89 lone 4 98 - 4 - ~6726=2, 5433/1.8=1 HA LYS 77 - HB2 SER 29 lone 4 72 - 5 - HA LYS 77 - HB3 SER 89 lone 2 98 - 2 - HA2 GLY 22 - HB3 SER 89 lone 2 71 - 2 - HA SER 89 - HB2 SER 29 lone 1 77 - 1 - HA2 GLY 22 - HB2 SER 29 lone 1 47 - 1 - HD2 PRO 92 - HB2 SER 29 lone 1 74 - 1 - HB3 SER 11 - HB2 SER 29 lone 0 69 - 1 - HB3 SER 11 - HB3 SER 89 lone 0 96 - 0 - HB THR 55 - HB3 SER 89 lone 0 60 - 0 - HB THR 55 - HB2 SER 29 lone 0 39 - 1 - Peak 3727 from cnoeabs.peaks (3.45, 4.00, 62.26 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 89 + HB3 SER 89 OK 100 100 - 100 - 1.8=100 Peak 3728 from cnoeabs.peaks (4.00, 4.00, 62.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 89 + HB3 SER 89 OK 100 100 - 100 HB2 SER 29 + HB2 SER 29 OK 71 71 - 100 Peak 3729 from cnoeabs.peaks (8.43, 3.60, 44.75 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 90 + HA2 GLY 90 OK 100 100 - 100 - 3.0=100 Peak 3730 from cnoeabs.peaks (3.60, 3.60, 44.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 90 + HA2 GLY 90 OK 100 100 - 100 Peak 3731 from cnoeabs.peaks (4.16, 3.60, 44.75 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 90 + HA2 GLY 90 OK 100 100 - 100 - 1.8=100 Peak 3732 from cnoeabs.peaks (8.43, 4.16, 44.75 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 90 + HA3 GLY 90 OK 100 100 - 100 - 3.0=100 Peak 3733 from cnoeabs.peaks (3.60, 4.16, 44.75 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 90 + HA3 GLY 90 OK 100 100 - 100 - 1.8=100 Peak 3734 from cnoeabs.peaks (4.16, 4.16, 44.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 90 + HA3 GLY 90 OK 100 100 - 100 Peak 3735 from cnoeabs.peaks (7.76, 5.33, 50.14 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 91 + HA ASN 91 OK 100 100 - 100 - 3.0=100 Peak 3736 from cnoeabs.peaks (5.33, 5.33, 50.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 91 + HA ASN 91 OK 100 100 - 100 Peak 3737 from cnoeabs.peaks (2.91, 5.33, 50.14 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 91 + HA ASN 91 OK 100 100 - 100 - 3.0=100 HB3 ASN 91 + HA ASN 91 OK 100 100 - 100 - 3.0=100 Peak 3738 from cnoeabs.peaks (2.91, 5.33, 50.14 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 91 + HA ASN 91 OK 100 100 - 100 - 3.0=100 HB2 ASN 91 + HA ASN 91 OK 100 100 - 100 - 3.0=100 Peak 3739 from cnoeabs.peaks (7.36, 5.33, 50.14 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 91 + HA ASN 91 OK 100 100 - 100 - 4.6=100 Peak 3741 from cnoeabs.peaks (7.76, 2.91, 40.94 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 91 + HB2 ASN 91 OK 98 100 - 98 - 3.6=95, 1020/1.8=21...(10) H ASN 91 + HB3 ASN 91 OK 98 100 - 98 - 3.6=95, 1020/1.8=21...(10) H LYS 61 - HB2 ASN 91 OK 13 99 - 13 - 527/3.5=4, 533/3.5=4...(4) H LYS 61 - HB3 ASN 91 OK 13 99 - 13 - 527/3.5=4, 533/3.5=4...(4) Peak 3742 from cnoeabs.peaks (5.33, 2.91, 40.94 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.0=100 HA ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.0=100 Peak 3743 from cnoeabs.peaks (2.91, 2.91, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 91 + HB2 ASN 91 OK 100 100 - 100 HB3 ASN 91 + HB3 ASN 91 OK 100 100 - 100 Peak 3744 from cnoeabs.peaks (2.91, 2.91, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 91 + HB2 ASN 91 OK 100 100 - 100 HB3 ASN 91 + HB3 ASN 91 OK 100 100 - 100 Reference assignment not found: HB3 ASN 91 - HB2 ASN 91 Peak 3745 from cnoeabs.peaks (7.36, 2.91, 40.94 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.5=100 HD21 ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.5=100 Peak 3746 from cnoeabs.peaks (7.03, 2.91, 40.94 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.5=100 HD22 ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.5=100 Peak 3747 from cnoeabs.peaks (7.76, 2.91, 40.94 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 91 + HB3 ASN 91 OK 98 100 - 98 - 3.6=95, 1020/1.8=21...(10) H ASN 91 + HB2 ASN 91 OK 98 100 - 98 - 3.6=95, 1020/1.8=21...(10) H LYS 61 - HB3 ASN 91 OK 13 99 - 13 - 527/3.5=4, 533/3.5=4...(4) H LYS 61 - HB2 ASN 91 OK 13 99 - 13 - 527/3.5=4, 533/3.5=4...(4) Peak 3748 from cnoeabs.peaks (5.33, 2.91, 40.94 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.0=100 HA ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.0=100 Peak 3749 from cnoeabs.peaks (2.91, 2.91, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 91 + HB3 ASN 91 OK 100 100 - 100 HB2 ASN 91 + HB2 ASN 91 OK 100 100 - 100 Reference assignment not found: HB2 ASN 91 - HB3 ASN 91 Peak 3750 from cnoeabs.peaks (2.91, 2.91, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 91 + HB3 ASN 91 OK 100 100 - 100 HB2 ASN 91 + HB2 ASN 91 OK 100 100 - 100 Peak 3751 from cnoeabs.peaks (7.36, 2.91, 40.94 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.5=100 HD21 ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.5=100 Peak 3752 from cnoeabs.peaks (7.03, 2.91, 40.94 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 91 + HB3 ASN 91 OK 100 100 - 100 - 3.5=100 HD22 ASN 91 + HB2 ASN 91 OK 100 100 - 100 - 3.5=100 Peak 3753 from cnoeabs.peaks (4.66, 3.79, 50.50 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 3.6=100 Peak 3754 from cnoeabs.peaks (1.87, 3.79, 50.50 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3755 from cnoeabs.peaks (2.17, 3.79, 50.50 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 3.0=100 HG3 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3756 from cnoeabs.peaks (2.02, 3.79, 50.50 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3757 from cnoeabs.peaks (2.17, 3.79, 50.50 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 2.3=100 HB3 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3758 from cnoeabs.peaks (3.79, 3.79, 50.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HD2 PRO 92 OK 100 100 - 100 Peak 3759 from cnoeabs.peaks (3.93, 3.79, 50.50 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HD2 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3760 from cnoeabs.peaks (4.66, 3.93, 50.50 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 3.6=100 Peak 3761 from cnoeabs.peaks (1.87, 3.93, 50.50 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3762 from cnoeabs.peaks (2.17, 3.93, 50.50 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 3.0=100 HG3 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3763 from cnoeabs.peaks (2.02, 3.93, 50.50 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3764 from cnoeabs.peaks (2.17, 3.93, 50.50 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 2.3=100 HB3 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3765 from cnoeabs.peaks (3.79, 3.93, 50.50 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HD3 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3766 from cnoeabs.peaks (3.93, 3.93, 50.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HD3 PRO 92 OK 100 100 - 100 Peak 3767 from cnoeabs.peaks (4.66, 4.66, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HA PRO 92 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.87, 4.66, 62.40 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HA PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3769 from cnoeabs.peaks (2.17, 4.66, 62.40 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 92 + HA PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3770 from cnoeabs.peaks (2.02, 4.66, 62.40 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 92 + HA PRO 92 OK 100 100 - 100 - 3.8=100 Peak 3771 from cnoeabs.peaks (2.17, 4.66, 62.40 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: HB3 PRO 92 + HA PRO 92 OK 100 100 - 100 - 2.3=100 Reference assignment not found: HG3 PRO 92 - HA PRO 92 Peak 3772 from cnoeabs.peaks (3.79, 4.66, 62.40 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HA PRO 92 OK 100 100 - 100 - 3.6=100 Peak 3773 from cnoeabs.peaks (3.93, 4.66, 62.40 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HA PRO 92 OK 100 100 - 100 - 3.6=100 Peak 3774 from cnoeabs.peaks (4.66, 1.87, 31.46 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3775 from cnoeabs.peaks (1.87, 1.87, 31.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 92 + HB2 PRO 92 OK 100 100 - 100 HB2 GLU 87 + HB2 GLU 87 OK 56 56 - 100 Peak 3776 from cnoeabs.peaks (2.17, 1.87, 31.46 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 1.8=100 HG3 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3777 from cnoeabs.peaks (2.02, 1.87, 31.46 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3778 from cnoeabs.peaks (2.17, 1.87, 31.46 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 2.3=100 HB3 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3779 from cnoeabs.peaks (3.79, 1.87, 31.46 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3780 from cnoeabs.peaks (3.93, 1.87, 31.46 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HB2 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3781 from cnoeabs.peaks (4.66, 2.17, 31.46 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HB3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3782 from cnoeabs.peaks (1.87, 2.17, 31.46 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HB3 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3783 from cnoeabs.peaks (2.17, 2.17, 31.46 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 92 + HB3 PRO 92 OK 100 100 - 100 HB3 LYS 35 + HB3 LYS 35 OK 59 59 - 100 HB VAL 30 - HB VAL 30 OK 40 40 - 100 Peak 3784 from cnoeabs.peaks (2.02, 2.17, 31.46 ppm; 2.83 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 92 + HB3 PRO 92 OK 100 100 - 100 - 2.3=100 HB2 LYS 35 - HB3 LYS 35 OK 39 39 - 100 - 1.8=100 Peak 3785 from cnoeabs.peaks (2.17, 2.17, 31.46 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 PRO 92 + HB3 PRO 92 OK 100 100 - 100 HB3 LYS 35 + HB3 LYS 35 OK 55 55 - 100 HB VAL 30 + HB VAL 30 OK 46 46 - 100 Reference assignment not found: HG3 PRO 92 - HB3 PRO 92 Peak 3786 from cnoeabs.peaks (3.79, 2.17, 31.46 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HB3 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3787 from cnoeabs.peaks (3.93, 2.17, 31.46 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HB3 PRO 92 OK 100 100 - 100 - 3.0=100 Peak 3788 from cnoeabs.peaks (4.66, 2.02, 27.57 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 3.8=100 Peak 3789 from cnoeabs.peaks (1.87, 2.02, 27.57 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3790 from cnoeabs.peaks (2.17, 2.02, 27.57 ppm; 2.46 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 2.3=100 HG3 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3791 from cnoeabs.peaks (2.02, 2.02, 27.57 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 92 + HG2 PRO 92 OK 100 100 - 100 HG2 PRO 49 - HG2 PRO 49 OK 30 30 - 100 Peak 3792 from cnoeabs.peaks (2.17, 2.02, 27.57 ppm; 2.46 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 1.8=100 HB3 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3793 from cnoeabs.peaks (3.79, 2.02, 27.57 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3794 from cnoeabs.peaks (3.93, 2.02, 27.57 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HG2 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3795 from cnoeabs.peaks (4.66, 2.17, 27.57 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 92 + HG3 PRO 92 OK 100 100 - 100 - 3.8=100 Peak 3796 from cnoeabs.peaks (1.87, 2.17, 27.57 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 92 + HG3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3797 from cnoeabs.peaks (2.17, 2.17, 27.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 PRO 92 + HG3 PRO 92 OK 100 100 - 100 Reference assignment not found: HB3 PRO 92 - HG3 PRO 92 Peak 3798 from cnoeabs.peaks (2.02, 2.17, 27.57 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 92 + HG3 PRO 92 OK 100 100 - 100 - 1.8=100 Peak 3799 from cnoeabs.peaks (2.17, 2.17, 27.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 92 + HG3 PRO 92 OK 100 100 - 100 Peak 3800 from cnoeabs.peaks (3.79, 2.17, 27.57 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 92 + HG3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3801 from cnoeabs.peaks (3.93, 2.17, 27.57 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 92 + HG3 PRO 92 OK 100 100 - 100 - 2.3=100 Peak 3802 from cnoeabs.peaks (8.46, 5.15, 59.30 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 93 + HA ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3803 from cnoeabs.peaks (5.15, 5.15, 59.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HA ILE 93 OK 100 100 - 100 Peak 3804 from cnoeabs.peaks (1.81, 5.15, 59.30 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + HA ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3805 from cnoeabs.peaks (0.72, 5.15, 59.30 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 93 + HA ILE 93 OK 100 100 - 100 - 3.2=100 QG2 ILE 51 - HA ILE 93 OK 25 100 - 25 - 433/3.6=6, 3840/4.2=4...(9) QD1 ILE 40 - HA ILE 93 poor 7 63 - 11 - 4.7/6796=2, 433/3.6=2...(4) Peak 3806 from cnoeabs.peaks (1.36, 5.15, 59.30 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HA ILE 93 OK 100 100 - 100 - 4.2=100 Peak 3807 from cnoeabs.peaks (1.52, 5.15, 59.30 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + HA ILE 93 OK 100 100 - 100 - 4.2=100 Peak 3808 from cnoeabs.peaks (0.79, 5.15, 59.30 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.98: * QD1 ILE 93 + HA ILE 93 OK 98 100 - 98 - 4.2=90, 3.1/3817=38...(14) QG1 VAL 25 - HA ILE 93 OK 28 100 - 28 - 3822/3.2=6, 436/3.6=5...(8) QD1 LEU 53 - HA ILE 93 OK 13 85 - 16 - 436/3.6=4, 3822/3.2=3...(6) QG2 ILE 40 - HA ILE 93 poor 9 63 - 14 - 4.0/6796=3, 3822/3.2=2...(7) QG2 VAL 25 - HA ILE 93 poor 8 57 - 14 - ~4899=3, ~3822=3...(5) Peak 3809 from cnoeabs.peaks (8.46, 1.81, 41.62 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 93 + HB ILE 93 OK 100 100 - 100 - 4.0=100 Peak 3810 from cnoeabs.peaks (5.15, 1.81, 41.62 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3811 from cnoeabs.peaks (1.81, 1.81, 41.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + HB ILE 93 OK 100 100 - 100 Peak 3812 from cnoeabs.peaks (0.72, 1.81, 41.62 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + HB ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3813 from cnoeabs.peaks (1.36, 1.81, 41.62 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3814 from cnoeabs.peaks (1.52, 1.81, 41.62 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3815 from cnoeabs.peaks (0.79, 1.81, 41.62 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + HB ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3816 from cnoeabs.peaks (8.46, 0.72, 18.30 ppm; 3.37 A): 2 out of 11 assignments used, quality = 0.96: * H ILE 93 + QG2 ILE 93 OK 88 100 - 88 - 4.0=61, 3.0/3817=29...(13) H LEU 21 + QG2 ILE 93 OK 68 96 - 71 - 3.6/6820=18, 2.9/6835=18...(15) H PHE 83 - QG2 ILE 93 OK 24 78 - 31 - 3.0/6819=6, ~6816=4...(10) H ALA 98 - QG2 ILE 93 OK 10 87 - 12 - 7018/6848=2, 4.4/6834=2...(4) H GLY 90 - QG2 ILE 93 OK 10 78 - 13 - 4.6/6802=8, ~6744=1, ~6741=1 H THR 67 - QG2 ILE 93 poor 10 60 - 16 - 3.5/6027=5, 3.6/6020=4, 6103=3 H THR 15 - QG2 ILE 93 lone 6 100 - 6 - 7168/4.4=1 H THR 42 - QG2 ILE 93 lone 6 92 - 7 - 179/3.2=1, 7168/4.4=1 H ASP 71 - QG2 ILE 93 lone 5 99 - 5 - H GLY 60 - QG2 ILE 93 lone 3 76 - 4 - 4.6/6802=2, 1104/6802=1 H ASP 72 - QG2 ILE 93 lone 3 81 - 3 - Peak 3817 from cnoeabs.peaks (5.15, 0.72, 18.30 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.94: * HA ILE 93 + QG2 ILE 93 OK 94 100 - 94 - 3.2=85, 431/4.4=15...(18) Peak 3818 from cnoeabs.peaks (1.81, 0.72, 18.30 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3819 from cnoeabs.peaks (0.72, 0.72, 18.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + QG2 ILE 93 OK 100 100 - 100 Peak 3820 from cnoeabs.peaks (1.36, 0.72, 18.30 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3821 from cnoeabs.peaks (1.52, 0.72, 18.30 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + QG2 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3822 from cnoeabs.peaks (0.79, 0.72, 18.30 ppm; 2.66 A): 2 out of 5 assignments used, quality = 0.85: * QD1 ILE 93 + QG2 ILE 93 OK 81 100 - 81 - 3.1=65, 4.2/3817=11...(20) QG1 VAL 25 + QG2 ILE 93 OK 19 100 - 19 - 4912/4820=2, 3808/3.2=2...(8) QD1 LEU 53 - QG2 ILE 93 poor 9 85 - 10 - 2.1/7095=2, 436/4.4=1 QG2 ILE 40 - QG2 ILE 93 lone 6 63 - 10 - 4.0/6798=1, 2024=1 QG2 VAL 25 - QG2 ILE 93 lone 6 57 - 10 - ~4899=2, ~3808=1 Peak 3823 from cnoeabs.peaks (8.46, 1.36, 24.52 ppm; 3.72 A): 3 out of 11 assignments used, quality = 0.92: * H ILE 93 + HG12 ILE 93 OK 81 100 - 81 - 4.9=44, 1028/1.8=14...(12) H LEU 21 + HG12 ILE 93 OK 43 96 - 45 - 3816/3.2=9, 1027=8...(11) H PHE 83 + HG12 ILE 93 OK 28 78 - 36 - 3.0/6822=10, ~6816=7...(9) H ALA 98 - HG12 ILE 93 lone 6 87 - 7 - 3837/2.1=2, 3816/3.2=1 H THR 42 - HG12 ILE 93 lone 6 92 - 6 - 179/1.8=2, 3837/2.1=1 H THR 15 - HG12 ILE 93 lone 5 100 - 5 - 3837/2.1=1 H GLY 90 - HG12 ILE 93 lone 5 78 - 6 - ~6744=1, 3816/3.2=1, ~6741=1 H ASP 71 - HG12 ILE 93 lone 5 99 - 5 - H THR 67 - HG12 ILE 93 lone 3 60 - 6 - 6103/3.2=3, 3837/2.1=1 H ASP 72 - HG12 ILE 93 lone 3 81 - 3 - H GLY 60 - HG12 ILE 93 lone 1 76 - 2 - Peak 3824 from cnoeabs.peaks (5.15, 1.36, 24.52 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 4.2=100 Peak 3825 from cnoeabs.peaks (1.81, 1.36, 24.52 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 3.0=100 Peak 3826 from cnoeabs.peaks (0.72, 1.36, 24.52 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3827 from cnoeabs.peaks (1.36, 1.36, 24.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HG12 ILE 93 OK 100 100 - 100 Peak 3828 from cnoeabs.peaks (1.52, 1.36, 24.52 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 1.8=100 Peak 3829 from cnoeabs.peaks (0.79, 1.36, 24.52 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + HG12 ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3830 from cnoeabs.peaks (8.46, 1.52, 24.52 ppm; 3.68 A): 3 out of 33 assignments used, quality = 0.96: * H ILE 93 + HG13 ILE 93 OK 82 100 - 82 - 4.9=43, 1027/1.8=25...(9) H ASP 71 + HG3 LYS 41 OK 55 79 - 70 - 6257/3.0=16, ~6262=11...(20) H THR 42 + HG3 LYS 41 OK 51 69 - 74 - 179=22, 175/4.0=20...(11) H LEU 21 - HG13 ILE 93 OK 43 96 - 45 - 3816/3.2=8, 3823/1.8=8...(9) H PHE 83 - HG13 ILE 93 OK 30 78 - 39 - ~6822=7, 3.0/6617=7...(10) H ASP 72 - HG3 LYS 41 OK 17 58 - 29 - 3.6/6261=5, 4165/1.8=3...(13) H THR 15 - HG3 LYS 41 OK 16 81 - 20 - 179=3, 4563/3.0=3...(10) H ILE 93 - HG2 LYS 94 OK 12 73 - 17 - 430/4.9=6, 3.0/3831=4...(4) H THR 42 - HG13 ILE 93 lone 9 92 - 10 - 179=2, 3.6/2051=1...(4) H ILE 93 - HG3 LYS 41 lone 7 81 - 8 - 1028=2 H GLY 60 - HG3 LYS 41 poor 7 54 - 12 - 5929/4.0=4, 5931/3.8=2...(4) H PHE 83 - HG3 LYS 41 poor 6 56 - 10 - 4165/1.8=2, 379/3.8=1...(4) H ALA 98 - HG13 ILE 93 lone 6 87 - 7 - 3837/2.1=2, 3816/3.2=1 H THR 15 - HG13 ILE 93 lone 5 100 - 5 - 3823/1.8=1, 3837/2.1=1 H LEU 21 - HG3 LYS 41 lone 5 73 - 7 - H ASP 71 - HG13 ILE 93 lone 5 99 - 5 - H THR 42 - HG2 LYS 94 lone 5 61 - 8 - 179=2, 3.6/2051=1, 7168/4.9=1 H GLY 90 - HG13 ILE 93 lone 5 78 - 7 - ~6744=1, 3816/3.2=1, ~6741=1 H LEU 21 - HG2 LYS 94 lone 5 65 - 7 - 430/4.9=3 H ALA 98 - HG2 LYS 94 lone 4 57 - 7 - 6996/4.0=4 H ALA 98 - HG3 LYS 41 lone 4 64 - 6 - H THR 67 - HG13 ILE 93 lone 4 60 - 6 - 6103/3.2=3, 3837/2.1=1 H ASP 71 - HG2 LYS 94 lone 4 71 - 5 - 6254/2.9=1 H PHE 83 - HG2 LYS 94 lone 3 50 - 7 - H ASP 72 - HG13 ILE 93 lone 3 81 - 4 - H THR 15 - HG2 LYS 94 lone 2 73 - 3 - 7168/4.9=1 H GLY 60 - HG13 ILE 93 lone 2 76 - 2 - H ASP 72 - HG2 LYS 94 lone 2 51 - 3 - H GLY 60 - HG2 LYS 94 lone 1 48 - 3 - H THR 67 - HG2 LYS 94 lone 1 37 - 2 - H THR 67 - HG3 LYS 41 lone 1 42 - 2 - H GLY 90 - HG2 LYS 94 lone 1 50 - 1 - H GLY 90 - HG3 LYS 41 lone 1 56 - 1 - Peak 3831 from cnoeabs.peaks (5.15, 1.52, 24.52 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.98: * HA ILE 93 + HG13 ILE 93 OK 98 100 - 98 - 4.2=89, 3817/3.2=37...(15) HA ILE 93 - HG2 LYS 94 OK 20 73 - 28 - 431/4.9=23, 3.0/1028=2 HA ILE 93 - HG3 LYS 41 lone 4 81 - 5 - 3.0/1028=1 Peak 3832 from cnoeabs.peaks (1.81, 1.52, 24.52 ppm; 3.43 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 3.0=100 HB2 LYS 94 + HG2 LYS 94 OK 63 63 - 100 - 2.9=100 Peak 3833 from cnoeabs.peaks (0.72, 1.52, 24.52 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3834 from cnoeabs.peaks (1.36, 1.52, 24.52 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 1.8=100 Peak 3835 from cnoeabs.peaks (1.52, 1.52, 24.52 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 93 + HG13 ILE 93 OK 100 100 - 100 HG3 LYS 41 + HG3 LYS 41 OK 72 72 - 100 HG2 LYS 94 + HG2 LYS 94 OK 61 61 - 100 Peak 3836 from cnoeabs.peaks (0.79, 1.52, 24.52 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + HG13 ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3837 from cnoeabs.peaks (8.46, 0.79, 14.80 ppm; 4.11 A): 3 out of 11 assignments used, quality = 0.99: * H ILE 93 + QD1 ILE 93 OK 93 100 - 93 - 5.0=57, 1027/2.1=27...(17) H LEU 21 + QD1 ILE 93 OK 67 96 - 70 - 4.7/6850=14, 2.9/6837=12...(19) H PHE 83 + QD1 ILE 93 OK 55 78 - 71 - 4.0/6838=22, 4.0/6614=14...(17) H ALA 98 - QD1 ILE 93 OK 17 87 - 19 - 4.4/6840=4, 7018/6850=3...(6) H THR 42 - QD1 ILE 93 OK 11 92 - 12 - 179/2.1=2, 4.0/6852=2 H THR 67 - QD1 ILE 93 OK 10 60 - 17 - 3.5/6853=7, 6103/3.1=3 H THR 15 - QD1 ILE 93 OK 10 100 - 10 - 4.6/6838=2, 3823/2.1=1 H ASP 71 - QD1 ILE 93 lone 9 99 - 9 - 3823/2.1=1 H GLY 90 - QD1 ILE 93 poor 8 78 - 10 - 4.6/6726=2, ~6744=2...(5) H ASP 72 - QD1 ILE 93 lone 5 81 - 6 - H GLY 60 - QD1 ILE 93 lone 2 76 - 3 - Peak 3838 from cnoeabs.peaks (5.15, 0.79, 14.80 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 4.2=100 Peak 3839 from cnoeabs.peaks (1.81, 0.79, 14.80 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 3.2=100 Peak 3840 from cnoeabs.peaks (0.72, 0.79, 14.80 ppm; 2.78 A): 2 out of 3 assignments used, quality = 0.90: * QG2 ILE 93 + QD1 ILE 93 OK 87 100 - 87 - 3.1=74, 3817/4.2=13...(22) QG2 ILE 51 + QD1 ILE 93 OK 26 100 - 26 - 3.2/6852=5, 7093/2.1=3...(7) QD1 ILE 40 - QD1 ILE 93 poor 7 63 - 12 - Peak 3841 from cnoeabs.peaks (1.36, 0.79, 14.80 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3842 from cnoeabs.peaks (1.52, 0.79, 14.80 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + QD1 ILE 93 OK 100 100 - 100 - 2.1=100 Peak 3843 from cnoeabs.peaks (0.79, 0.79, 14.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + QD1 ILE 93 OK 100 100 - 100 Peak 3844 from cnoeabs.peaks (8.35, 5.19, 53.90 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 3845 from cnoeabs.peaks (5.19, 5.19, 53.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HA LYS 94 OK 100 100 - 100 Peak 3846 from cnoeabs.peaks (1.82, 5.19, 53.90 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 3847 from cnoeabs.peaks (1.54, 5.19, 53.90 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 3848 from cnoeabs.peaks (1.51, 5.19, 53.90 ppm; 3.64 A): 2 out of 8 assignments used, quality = 0.99: * HG2 LYS 94 + HA LYS 94 OK 97 100 - 97 - 4.0=75, 3877/3.0=20...(33) HG13 ILE 93 + HA LYS 94 OK 57 92 - 62 - 3875=11, ~434=8...(17) HG2 LYS 86 - HA LYS 94 OK 27 97 - 28 - 4.7/6669=9, 4.0/6864=6...(8) HB3 LYS 63 - HA LYS 94 OK 23 76 - 31 - 2.9/3849=3, 2.9/3849=3...(13) HG2 LYS 45 - HA LYS 94 OK 20 98 - 20 - 3858/3.0=3, 3868/3.0=3...(8) HB3 LEU 62 - HA LYS 94 OK 16 83 - 19 - 5965/3.0=5, ~5964=2...(7) HG LEU 53 - HA LYS 94 OK 13 99 - 13 - 1034/3.0=3, ~5781=2...(4) HG3 LYS 41 - HA LYS 94 lone 8 100 - 8 - 3868/3.0=1, 3858/3.0=1 Peak 3849 from cnoeabs.peaks (1.44, 5.19, 53.90 ppm; 3.66 A): 1 out of 12 assignments used, quality = 0.97: * HG3 LYS 94 + HA LYS 94 OK 97 100 - 97 - 4.0=77, 3887/3.0=25...(33) HG3 LYS 63 - HA LYS 94 OK 37 99 - 38 - 3.5/3853=3, 3.5/3853=3...(19) HG2 LYS 63 - HA LYS 94 OK 37 99 - 38 - 3.5/3853=3, 3.5/3853=3...(19) HG13 ILE 51 - HA LYS 94 OK 22 99 - 22 - ~6855=3, ~433=3, ~7035=3...(8) HB ILE 51 - HA LYS 94 OK 20 90 - 23 - ~433=5, ~4212=4...(9) HD3 LYS 86 - HA LYS 94 OK 18 83 - 22 - 5.7/6669=7, 5.1/6864=4...(8) HG3 LYS 61 - HA LYS 94 OK 14 83 - 17 - 3.0/3905=2, 3.0/3895=2 HG2 LYS 61 - HA LYS 94 OK 14 81 - 17 - 3.0/3895=2, 3.0/3895=2 HG12 ILE 80 - HA LYS 94 OK 13 97 - 14 - 2.1/6533=6, 442/3.6=3...(4) QB ALA 31 - HA LYS 94 OK 13 78 - 16 - 2.1/6863=4, ~4436=3...(6) QG2 THR 67 - HA LYS 94 lone 6 97 - 6 - HB2 LYS 41 - HA LYS 94 lone 4 63 - 6 - Peak 3850 from cnoeabs.peaks (1.68, 5.19, 53.90 ppm; 4.18 A): 2 out of 19 assignments used, quality = 1.00: * HD2 LYS 94 + HA LYS 94 OK 98 100 - 98 - 4.7=70, 2.9/3875=20...(48) HD3 LYS 94 + HA LYS 94 OK 98 100 - 98 - 4.7=70, 2.9/3875=20...(48) HD3 LYS 63 - HA LYS 94 OK 43 100 - 43 - 3895=4, 3.0/3849=4...(21) HD2 LYS 61 - HA LYS 94 OK 37 100 - 38 - 3895=4, 1.8/3895=3...(15) HD3 LYS 61 - HA LYS 94 OK 37 100 - 38 - 3895=4, 1.8/3895=3...(15) HD3 LYS 45 - HA LYS 94 OK 22 73 - 30 - 2.9/3848=3, 3.0/3852=2...(15) HD2 LYS 45 - HA LYS 94 OK 21 68 - 30 - 2.9/3848=3, 3.0/3852=2...(15) HD3 LYS 35 - HA LYS 94 OK 19 99 - 19 - 1844/3.0=6, ~1834=4...(4) HD2 LYS 44 - HA LYS 94 OK 18 100 - 18 - 3905=2, 1.8/3895=2...(4) HD3 LYS 44 - HA LYS 94 OK 18 100 - 18 - 3905=2, 1.8/3895=2...(4) HB3 LYS 61 - HA LYS 94 OK 13 85 - 15 - 3.9/3895=2, 3.9/3905=2...(5) QB ALA 79 - HA LYS 94 OK 12 98 - 12 - 6475/6888=2, 6492/4705=2...(5) HB ILE 40 - HA LYS 94 lone 8 100 - 8 - ~436=1, ~5398=1...(4) HG3 ARG 57 - HA LYS 94 lone 7 100 - 7 - 3.0/6862=2, 3.0/6862=1 HG2 ARG 57 - HA LYS 94 lone 7 100 - 7 - 3.0/6862=2, 3.0/6862=1 HG12 ILE 39 - HA LYS 94 lone 6 92 - 6 - HG12 ILE 27 - HA LYS 94 lone 3 85 - 4 - HB2 MET 50 - HA LYS 94 lone 2 65 - 2 - HD2 LYS 77 - HA LYS 94 lone 1 71 - 2 - Peak 3851 from cnoeabs.peaks (1.68, 5.19, 53.90 ppm; 4.18 A): 2 out of 19 assignments used, quality = 1.00: HD2 LYS 94 + HA LYS 94 OK 98 100 - 98 - 4.7=70, 2.9/3875=20...(48) * HD3 LYS 94 + HA LYS 94 OK 98 100 - 98 - 4.7=70, 2.9/3875=20...(48) HD3 LYS 63 - HA LYS 94 OK 43 100 - 43 - 3895=4, 3.0/3849=4...(21) HD2 LYS 61 - HA LYS 94 OK 37 100 - 38 - 3895=4, 1.8/3895=3...(15) HD3 LYS 61 - HA LYS 94 OK 37 100 - 38 - 3895=4, 1.8/3895=3...(15) HD3 LYS 45 - HA LYS 94 OK 22 73 - 30 - 2.9/3848=3, 3.0/3852=2...(15) HD2 LYS 45 - HA LYS 94 OK 21 68 - 30 - 2.9/3848=3, 3.0/3852=2...(15) HD3 LYS 35 - HA LYS 94 OK 19 99 - 19 - 1844/3.0=6, ~1834=4...(4) HD2 LYS 44 - HA LYS 94 OK 18 100 - 18 - 3905=2, 1.8/3895=2...(4) HD3 LYS 44 - HA LYS 94 OK 18 100 - 18 - 3905=2, 1.8/3895=2...(4) HB3 LYS 61 - HA LYS 94 OK 13 85 - 15 - 3.9/3895=2, 3.9/3905=2...(5) QB ALA 79 - HA LYS 94 OK 12 98 - 12 - 6475/6888=2, 6492/4705=2...(5) HB ILE 40 - HA LYS 94 lone 8 100 - 8 - ~436=1, ~5398=1...(4) HG3 ARG 57 - HA LYS 94 lone 7 100 - 7 - 3.0/6862=2, 3.0/6862=1 HG2 ARG 57 - HA LYS 94 lone 7 100 - 7 - 3.0/6862=2, 3.0/6862=1 HG12 ILE 39 - HA LYS 94 lone 6 92 - 6 - HG12 ILE 27 - HA LYS 94 lone 3 85 - 4 - HB2 MET 50 - HA LYS 94 lone 2 65 - 2 - HD2 LYS 77 - HA LYS 94 lone 1 71 - 2 - Peak 3852 from cnoeabs.peaks (2.98, 5.19, 53.90 ppm; 4.82 A): 4 out of 7 assignments used, quality = 1.00: HE3 LYS 94 + HA LYS 94 OK 89 100 - 89 - 6.5=41, 3.7/3875=21...(33) * HE2 LYS 94 + HA LYS 94 OK 89 100 - 89 - 6.5=41, 3.7/3875=21...(32) HE2 LYS 63 + HA LYS 94 OK 54 100 - 55 - 3863/3.0=5, 3873/3.0=5...(25) HE3 LYS 63 + HA LYS 94 OK 54 100 - 55 - 3863/3.0=5, 3873/3.0=5...(25) HE2 LYS 45 - HA LYS 94 OK 32 93 - 34 - 3862/3.0=3, 3872/3.0=3...(14) HE3 LYS 45 - HA LYS 94 OK 32 93 - 34 - 3862/3.0=3, 3872/3.0=3...(14) HE3 LYS 61 - HA LYS 94 OK 23 76 - 31 - 2.9/3905=3, 2.9/3895=3...(12) Peak 3853 from cnoeabs.peaks (2.97, 5.19, 53.90 ppm; 4.82 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 94 + HA LYS 94 OK 89 100 - 89 - 6.5=41, 3.7/3875=21...(33) HE2 LYS 94 + HA LYS 94 OK 89 100 - 89 - 6.5=41, 3.7/3875=21...(32) HE2 LYS 63 + HA LYS 94 OK 54 100 - 55 - 3863/3.0=5, 3873/3.0=5...(25) HE3 LYS 63 + HA LYS 94 OK 54 100 - 55 - 3863/3.0=5, 3873/3.0=5...(25) HE2 LYS 45 - HA LYS 94 OK 30 87 - 34 - 3862/3.0=3, 3872/3.0=3...(14) HE3 LYS 45 - HA LYS 94 OK 30 87 - 34 - 3862/3.0=3, 3872/3.0=3...(14) HE3 LYS 61 - HA LYS 94 OK 20 65 - 31 - 2.9/3895=3, 2.9/3895=3...(12) Peak 3854 from cnoeabs.peaks (8.35, 1.82, 34.87 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.93: * H LYS 94 + HB2 LYS 94 OK 93 100 - 93 - 4.0=77, 3864/1.8=24...(21) H LYS 35 - HB2 LYS 94 OK 14 98 - 14 - 3864/1.8=4, 3884/2.9=3...(5) H ASN 52 - HB2 LYS 94 OK 12 97 - 13 - 3864/1.8=4, 3884/2.9=3...(4) H GLY 64 - HB2 LYS 94 OK 12 73 - 16 - 3864/1.8=4, 3884/2.9=3...(5) Peak 3855 from cnoeabs.peaks (5.19, 1.82, 34.87 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 3856 from cnoeabs.peaks (1.82, 1.82, 34.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 Peak 3857 from cnoeabs.peaks (1.54, 1.82, 34.87 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 3858 from cnoeabs.peaks (1.51, 1.82, 34.87 ppm; 2.87 A): 1 out of 8 assignments used, quality = 0.98: * HG2 LYS 94 + HB2 LYS 94 OK 98 100 - 98 - 2.9=93, 3877/1.8=21...(26) HB3 LYS 63 - HB2 LYS 94 OK 17 76 - 22 - 3868/1.8=3, 3848/3.0=2...(7) HG13 ILE 93 - HB2 LYS 94 OK 15 92 - 17 - 3875/3.0=4, 1034/4.0=3...(4) HG2 LYS 45 - HB2 LYS 94 OK 15 98 - 15 - 3868/1.8=3, 3848/3.0=1 HG2 LYS 86 - HB2 LYS 94 OK 10 97 - 11 - 3588/1.8=4, 3848/3.0=2 HB3 LEU 62 - HB2 LYS 94 poor 9 83 - 11 - 5965/4.0=2, 3868/1.8=2...(5) HG3 LYS 41 - HB2 LYS 94 lone 5 100 - 5 - 3868/1.8=1 HG LEU 53 - HB2 LYS 94 lone 5 99 - 5 - 1034/4.0=1 Peak 3859 from cnoeabs.peaks (1.44, 1.82, 34.87 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 2.9=100 Peak 3860 from cnoeabs.peaks (1.68, 1.82, 34.87 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.4=100 * HD2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.4=100 Peak 3861 from cnoeabs.peaks (1.68, 1.82, 34.87 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.4=100 HD2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.4=100 Peak 3862 from cnoeabs.peaks (2.98, 1.82, 34.87 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 98 100 - 98 - 4.9=75, 3.7/3858=22...(58) HE3 LYS 94 + HB2 LYS 94 OK 98 100 - 98 - 4.9=75, 3.7/3858=22...(60) HE2 LYS 63 + HB2 LYS 94 OK 62 100 - 62 - 3873/1.8=5, 3926=5...(31) HE3 LYS 63 + HB2 LYS 94 OK 62 100 - 62 - 3873/1.8=5, 3926=5...(31) HE2 LYS 45 - HB2 LYS 94 OK 38 93 - 41 - 3.5/3858=4, 3872/1.8=3...(12) HE3 LYS 45 - HB2 LYS 94 OK 38 93 - 41 - 3.5/3858=4, 3872/1.8=3...(12) HE3 LYS 61 - HB2 LYS 94 OK 27 76 - 36 - 3872/1.8=2, ~3871=2...(19) Peak 3863 from cnoeabs.peaks (2.97, 1.82, 34.87 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 98 100 - 98 - 4.9=75, 3.7/3858=22...(60) HE2 LYS 94 + HB2 LYS 94 OK 97 100 - 98 - 4.9=75, 3.7/3858=22...(58) HE2 LYS 63 + HB2 LYS 94 OK 62 100 - 62 - 3873/1.8=5, 3926=5...(31) HE3 LYS 63 + HB2 LYS 94 OK 62 100 - 62 - 3873/1.8=5, 3926=5...(31) HE2 LYS 45 - HB2 LYS 94 OK 36 87 - 41 - 3.5/3858=4, 3872/1.8=3...(12) HE3 LYS 45 - HB2 LYS 94 OK 36 87 - 41 - 3.5/3858=4, 3872/1.8=3...(12) HE3 LYS 61 - HB2 LYS 94 OK 23 65 - 36 - 3872/1.8=2, ~3871=2...(19) Peak 3864 from cnoeabs.peaks (8.35, 1.54, 34.87 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.95: * H LYS 94 + HB3 LYS 94 OK 95 100 - 95 - 4.0=81, 3854/1.8=27...(21) H GLY 64 - HB3 LYS 94 OK 15 73 - 21 - 3854/1.8=3, 291=3...(8) H LYS 35 - HB3 LYS 94 OK 15 98 - 15 - 3854/1.8=4, 3884/2.9=3...(5) H ASN 52 - HB3 LYS 94 OK 14 97 - 14 - 3854/1.8=4, 3884/2.9=3...(6) Peak 3865 from cnoeabs.peaks (5.19, 1.54, 34.87 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 3866 from cnoeabs.peaks (1.82, 1.54, 34.87 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 3867 from cnoeabs.peaks (1.54, 1.54, 34.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 Peak 3868 from cnoeabs.peaks (1.51, 1.54, 34.87 ppm; 2.80 A): 1 out of 8 assignments used, quality = 0.96: * HG2 LYS 94 + HB3 LYS 94 OK 96 100 - 96 - 2.9=86, 1.8/3887=24...(26) HB3 LYS 63 - HB3 LYS 94 OK 17 76 - 23 - 3858/1.8=3, 3848/3.0=1...(10) HG13 ILE 93 - HB3 LYS 94 OK 17 92 - 18 - 3875/3.0=4, 1034/4.0=3...(5) HG2 LYS 86 - HB3 LYS 94 OK 15 97 - 16 - 3588=5, 4.0/3558=2...(5) HG2 LYS 45 - HB3 LYS 94 OK 14 98 - 15 - 3858/1.8=3, 3848/3.0=1 HB3 LEU 62 - HB3 LYS 94 poor 9 83 - 10 - 5965/4.0=2, 3858/1.8=2 HG3 LYS 41 - HB3 LYS 94 lone 6 100 - 5 - 3858/1.8=1 HG LEU 53 - HB3 LYS 94 lone 4 99 - 4 - 1034/4.0=1 Peak 3869 from cnoeabs.peaks (1.44, 1.54, 34.87 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 2.9=100 Peak 3870 from cnoeabs.peaks (1.68, 1.54, 34.87 ppm; 3.41 A): 2 out of 19 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.4=97, 2.9/3887=23...(41) HD3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.4=97, 2.9/3887=23...(41) HD3 LYS 63 - HB3 LYS 94 OK 35 100 - 36 - 3.0/3873=2, 3.0/3873=2...(20) HD2 LYS 61 - HB3 LYS 94 OK 30 100 - 30 - 3905/3.0=2, 3890/2.9=2...(9) HD3 LYS 61 - HB3 LYS 94 OK 30 100 - 30 - 3905/3.0=2, 3890/2.9=2...(9) HD3 LYS 45 - HB3 LYS 94 OK 19 73 - 26 - 2.9/3868=3, 3.0/3872=1...(8) HD2 LYS 45 - HB3 LYS 94 OK 19 68 - 27 - 2.9/3868=3, 3.0/3872=1...(6) HD2 LYS 44 - HB3 LYS 94 OK 16 100 - 16 - HD3 LYS 44 - HB3 LYS 94 OK 16 100 - 16 - HB3 LYS 61 - HB3 LYS 94 poor 9 85 - 10 - 4.4/876=1 HD3 LYS 35 - HB3 LYS 94 lone 7 99 - 7 - 1844/4.0=3 HB ILE 40 - HB3 LYS 94 lone 7 100 - 7 - 3.9/6872=2 QB ALA 79 - HB3 LYS 94 lone 4 98 - 4 - HG3 ARG 57 - HB3 LYS 94 lone 3 100 - 3 - HG2 ARG 57 - HB3 LYS 94 lone 3 100 - 3 - HG12 ILE 39 - HB3 LYS 94 lone 3 92 - 3 - HG12 ILE 27 - HB3 LYS 94 lone 2 85 - 3 - HD2 LYS 77 - HB3 LYS 94 lone 1 71 - 2 - HB2 MET 50 - HB3 LYS 94 lone 1 65 - 2 - Peak 3871 from cnoeabs.peaks (1.68, 1.54, 34.87 ppm; 3.41 A): 2 out of 19 assignments used, quality = 1.00: HD2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.4=97, 2.9/3887=23...(41) * HD3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.4=97, 2.9/3887=23...(41) HD3 LYS 63 - HB3 LYS 94 OK 35 100 - 36 - 3.0/3873=2, 3.0/3873=2...(20) HD2 LYS 61 - HB3 LYS 94 OK 30 100 - 30 - 3905/3.0=2, 3890/2.9=2...(9) HD3 LYS 61 - HB3 LYS 94 OK 30 100 - 30 - 3905/3.0=2, 3890/2.9=2...(9) HD3 LYS 45 - HB3 LYS 94 OK 19 73 - 26 - 2.9/3868=3, 3.0/3872=1...(8) HD2 LYS 45 - HB3 LYS 94 OK 19 68 - 27 - 2.9/3868=3, 3.0/3872=1...(6) HD2 LYS 44 - HB3 LYS 94 OK 16 100 - 16 - HD3 LYS 44 - HB3 LYS 94 OK 16 100 - 16 - HB3 LYS 61 - HB3 LYS 94 poor 9 85 - 10 - 4.4/876=1 HD3 LYS 35 - HB3 LYS 94 lone 7 99 - 7 - 1844/4.0=3 HB ILE 40 - HB3 LYS 94 lone 7 100 - 7 - 3.9/6872=2 QB ALA 79 - HB3 LYS 94 lone 4 98 - 4 - HG3 ARG 57 - HB3 LYS 94 lone 3 100 - 3 - HG2 ARG 57 - HB3 LYS 94 lone 3 100 - 3 - HG12 ILE 39 - HB3 LYS 94 lone 3 92 - 3 - HG12 ILE 27 - HB3 LYS 94 lone 2 85 - 3 - HD2 LYS 77 - HB3 LYS 94 lone 1 71 - 2 - HB2 MET 50 - HB3 LYS 94 lone 1 65 - 2 - Peak 3872 from cnoeabs.peaks (2.98, 1.54, 34.87 ppm; 4.87 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 4.9=96, 3.7/3887=30...(60) HE3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 4.9=96, 3.7/3887=30...(66) HE2 LYS 63 + HB3 LYS 94 OK 67 100 - 68 - 3863/1.8=7, ~3863=5...(34) HE3 LYS 63 + HB3 LYS 94 OK 67 100 - 68 - 3863/1.8=7, ~3863=5...(34) HE2 LYS 45 - HB3 LYS 94 OK 43 93 - 46 - 3862/1.8=4, 3.5/3868=4...(13) HE3 LYS 45 - HB3 LYS 94 OK 43 93 - 46 - 3862/1.8=4, 3.5/3868=4...(13) HE3 LYS 61 - HB3 LYS 94 OK 30 76 - 39 - 2.9/3870=3, 2.9/3871=3...(18) Peak 3873 from cnoeabs.peaks (2.97, 1.54, 34.87 ppm; 4.87 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 4.9=96, 3.7/3887=30...(66) HE2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 4.9=96, 3.7/3887=30...(60) HE2 LYS 63 + HB3 LYS 94 OK 67 100 - 68 - 3863/1.8=7, 3853/3.0=5...(34) HE3 LYS 63 + HB3 LYS 94 OK 67 100 - 68 - 3863/1.8=7, 3853/3.0=5...(34) HE2 LYS 45 - HB3 LYS 94 OK 40 87 - 46 - 3862/1.8=4, 3.5/3868=4...(13) HE3 LYS 45 - HB3 LYS 94 OK 40 87 - 46 - 3862/1.8=4, 3.5/3868=4...(13) HE3 LYS 61 - HB3 LYS 94 OK 25 65 - 39 - 2.9/3871=3, 2.9/3871=3...(18) Peak 3874 from cnoeabs.peaks (8.35, 1.51, 24.25 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.98: * H LYS 94 + HG2 LYS 94 OK 95 100 - 95 - 4.9=69, 3854/2.9=26...(17) H LYS 94 + HG13 ILE 93 OK 63 73 - 86 - 431/4.2=34, 4377/3.0=24...(14) H ASN 52 - HG13 ILE 93 OK 28 66 - 41 - 231/3.2=11, 4381/2.1=8...(9) H LYS 35 - HG13 ILE 93 OK 21 69 - 31 - 4378/3.2=8, 4381/2.1=7...(6) H LYS 35 - HG2 LYS 94 OK 19 98 - 19 - 3884/1.8=4, 3854/2.9=4...(5) H ASN 52 - HG2 LYS 94 OK 18 97 - 18 - 3884/1.8=4, 3864/2.9=4...(5) H GLY 64 - HG2 LYS 94 OK 15 73 - 21 - 3884/1.8=4, 3864/2.9=4...(7) H GLY 64 - HG13 ILE 93 OK 12 46 - 27 - ~5992=4, 4381/2.1=4...(10) Peak 3875 from cnoeabs.peaks (5.19, 1.51, 24.25 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 4.0=97, 3.0/3877=23...(37) HA LYS 94 + HG13 ILE 93 OK 49 73 - 68 - 3848=11, ~434=10...(16) HA ILE 16 - HG2 LYS 94 OK 12 99 - 12 - 438/4.9=5 HA ILE 16 - HG13 ILE 93 lone 5 71 - 6 - 6881/6899=1, ~7169=1 Peak 3876 from cnoeabs.peaks (1.82, 1.51, 24.25 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 2.9=100 HB ILE 93 + HG13 ILE 93 OK 63 63 - 100 - 3.0=100 Peak 3877 from cnoeabs.peaks (1.54, 1.51, 24.25 ppm; 2.40 A): 3 out of 19 assignments used, quality = 0.81: * HB3 LYS 94 + HG2 LYS 94 OK 75 100 - 75 - 2.9=54, 1.8/3858=13...(16) HB3 LYS 63 + HG2 LYS 94 OK 12 99 - 13 - 2913/2.9=1, 2913/2.9=1 HD2 LYS 86 + HG2 LYS 94 OK 12 100 - 12 - 3606=4, 1.8/3616=2...(4) HB3 LYS 94 - HG13 ILE 93 poor 9 73 - 12 - 3868=3, 3.0/3875=3...(5) HG13 ILE 93 - HG2 LYS 94 lone 6 90 - 7 - 1033/4.9=2, 3875/4.0=1 HD2 LYS 86 - HG13 ILE 93 lone 6 71 - 8 - ~6841=2, 3606=2 HG2 LYS 45 - HG2 LYS 94 lone 5 78 - 6 - HB3 LEU 62 - HG2 LYS 94 lone 5 97 - 5 - 5965/4.9=1 HG3 LYS 44 - HG2 LYS 94 lone 4 89 - 4 - HG3 LYS 41 - HG2 LYS 94 lone 2 60 - 4 - HB3 PRO 49 - HG2 LYS 94 lone 1 68 - 2 - HB3 GLU 87 - HG13 ILE 93 lone 1 50 - 3 - HB3 LEU 62 - HG13 ILE 93 lone 1 66 - 2 - HB3 GLU 87 - HG2 LYS 94 lone 1 78 - 1 - HB3 LYS 63 - HG13 ILE 93 lone 1 69 - 1 - HG3 LYS 41 - HG13 ILE 93 lone 1 37 - 3 - HB3 PRO 49 - HG13 ILE 93 lone 0 42 - 1 - HG2 LYS 45 - HG13 ILE 93 lone 0 50 - 1 - HG3 LYS 44 - HG13 ILE 93 lone 0 58 - 0 - Peak 3878 from cnoeabs.peaks (1.51, 1.51, 24.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 HG13 ILE 93 + HG13 ILE 93 OK 61 61 - 100 Peak 3879 from cnoeabs.peaks (1.44, 1.51, 24.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 3880 from cnoeabs.peaks (1.68, 1.51, 24.25 ppm; 2.77 A): 2 out of 38 assignments used, quality = 1.00: * HD2 LYS 94 + HG2 LYS 94 OK 95 100 - 95 - 2.9=86, 3.4/3877=10...(28) HD3 LYS 94 + HG2 LYS 94 OK 95 100 - 95 - 2.9=86, 3.4/3877=10...(28) HD3 LYS 63 - HG2 LYS 94 OK 20 100 - 20 - 3871/2.9=1, 3898=1...(5) HD2 LYS 61 - HG2 LYS 94 OK 16 100 - 16 - 3871/2.9=1, 3908=1, 2.9/2121=1 HD3 LYS 61 - HG2 LYS 94 OK 16 100 - 16 - 3871/2.9=1, 3908=1, 2.9/2121=1 HD3 LYS 45 - HG2 LYS 94 OK 11 73 - 14 - HD2 LYS 45 - HG2 LYS 94 OK 10 68 - 15 - HD2 LYS 44 - HG2 LYS 94 lone 9 100 - 9 - HD3 LYS 44 - HG2 LYS 94 lone 9 100 - 9 - HD3 LYS 94 - HG13 ILE 93 poor 8 73 - 11 - 4.7/3875=2, 3.4/3868=2...(4) HD2 LYS 94 - HG13 ILE 93 poor 8 73 - 11 - 4.7/3875=2, 3.4/3868=2...(4) HB3 LYS 61 - HG2 LYS 94 lone 5 85 - 5 - HD3 LYS 35 - HG2 LYS 94 lone 3 99 - 3 - 1844/4.9=1 HB ILE 40 - HG13 ILE 93 lone 3 71 - 5 - HB ILE 40 - HG2 LYS 94 lone 3 100 - 3 - HG12 ILE 27 - HG13 ILE 93 lone 2 55 - 4 - ~6853=1 QB ALA 79 - HG2 LYS 94 lone 2 98 - 2 - QB ALA 79 - HG13 ILE 93 lone 2 69 - 3 - HG12 ILE 27 - HG2 LYS 94 lone 1 85 - 2 - HG12 ILE 39 - HG2 LYS 94 lone 1 92 - 1 - HG3 ARG 57 - HG2 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 94 lone 1 100 - 1 - HD3 LYS 63 - HG13 ILE 93 lone 1 72 - 2 - HB2 MET 50 - HG13 ILE 93 lone 1 40 - 2 - HD2 LYS 61 - HG13 ILE 93 lone 1 72 - 1 - HD3 LYS 61 - HG13 ILE 93 lone 1 72 - 1 - HB2 MET 50 - HG2 LYS 94 lone 1 65 - 1 - HD3 LYS 35 - HG13 ILE 93 lone 1 69 - 1 - HG12 ILE 39 - HG13 ILE 93 lone 1 61 - 1 - HD2 LYS 44 - HG13 ILE 93 lone 1 72 - 1 - HD3 LYS 44 - HG13 ILE 93 lone 1 71 - 1 - HB3 LYS 61 - HG13 ILE 93 lone 0 55 - 1 - HD2 LYS 77 - HG2 LYS 94 lone 0 71 - 1 - HD3 LYS 45 - HG13 ILE 93 lone 0 46 - 1 - HG3 ARG 57 - HG13 ILE 93 lone 0 72 - 0 - HD2 LYS 45 - HG13 ILE 93 lone 0 42 - 1 - HG2 ARG 57 - HG13 ILE 93 lone 0 71 - 0 - HD2 LYS 77 - HG13 ILE 93 lone 0 44 - 0 - Peak 3881 from cnoeabs.peaks (1.68, 1.51, 24.25 ppm; 2.77 A): 2 out of 38 assignments used, quality = 1.00: HD2 LYS 94 + HG2 LYS 94 OK 95 100 - 95 - 2.9=86, 3.4/3877=10...(28) * HD3 LYS 94 + HG2 LYS 94 OK 95 100 - 95 - 2.9=86, 3.4/3877=10...(28) HD3 LYS 63 - HG2 LYS 94 OK 20 100 - 20 - 3871/2.9=1, 3898=1...(5) HD2 LYS 61 - HG2 LYS 94 OK 16 100 - 16 - 3871/2.9=1, 3908=1, 2.9/2121=1 HD3 LYS 61 - HG2 LYS 94 OK 16 100 - 16 - 3871/2.9=1, 3908=1, 2.9/2121=1 HD3 LYS 45 - HG2 LYS 94 OK 11 73 - 14 - HD2 LYS 45 - HG2 LYS 94 OK 10 68 - 15 - HD2 LYS 44 - HG2 LYS 94 lone 9 100 - 9 - HD3 LYS 44 - HG2 LYS 94 lone 9 100 - 9 - HD3 LYS 94 - HG13 ILE 93 poor 8 73 - 11 - 4.7/3875=2, 3.4/3868=2...(4) HD2 LYS 94 - HG13 ILE 93 poor 8 73 - 11 - 4.7/3875=2, 3.4/3868=2...(4) HB3 LYS 61 - HG2 LYS 94 lone 5 85 - 5 - HD3 LYS 35 - HG2 LYS 94 lone 3 99 - 3 - 1844/4.9=1 HB ILE 40 - HG13 ILE 93 lone 3 71 - 5 - HB ILE 40 - HG2 LYS 94 lone 3 100 - 3 - HG12 ILE 27 - HG13 ILE 93 lone 2 55 - 4 - ~6853=1 QB ALA 79 - HG2 LYS 94 lone 2 98 - 2 - QB ALA 79 - HG13 ILE 93 lone 2 69 - 3 - HG12 ILE 27 - HG2 LYS 94 lone 1 85 - 2 - HG12 ILE 39 - HG2 LYS 94 lone 1 92 - 1 - HG3 ARG 57 - HG2 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HG2 LYS 94 lone 1 100 - 1 - HD3 LYS 63 - HG13 ILE 93 lone 1 72 - 2 - HB2 MET 50 - HG13 ILE 93 lone 1 40 - 2 - HD2 LYS 61 - HG13 ILE 93 lone 1 72 - 1 - HD3 LYS 61 - HG13 ILE 93 lone 1 72 - 1 - HB2 MET 50 - HG2 LYS 94 lone 1 65 - 1 - HD3 LYS 35 - HG13 ILE 93 lone 1 69 - 1 - HG12 ILE 39 - HG13 ILE 93 lone 1 61 - 1 - HD2 LYS 44 - HG13 ILE 93 lone 1 72 - 1 - HD3 LYS 44 - HG13 ILE 93 lone 1 71 - 1 - HB3 LYS 61 - HG13 ILE 93 lone 0 55 - 1 - HD2 LYS 77 - HG2 LYS 94 lone 0 71 - 1 - HD3 LYS 45 - HG13 ILE 93 lone 0 46 - 1 - HG3 ARG 57 - HG13 ILE 93 lone 0 72 - 0 - HD2 LYS 45 - HG13 ILE 93 lone 0 42 - 1 - HG2 ARG 57 - HG13 ILE 93 lone 0 71 - 0 - HD2 LYS 77 - HG13 ILE 93 lone 0 44 - 0 - Peak 3882 from cnoeabs.peaks (2.98, 1.51, 24.25 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.7=100 HE3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.7=100 Peak 3883 from cnoeabs.peaks (2.97, 1.51, 24.25 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.7=100 HE2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.7=100 Peak 3884 from cnoeabs.peaks (8.35, 1.44, 24.25 ppm; 4.60 A): 1 out of 4 assignments used, quality = 0.97: * H LYS 94 + HG3 LYS 94 OK 97 100 - 97 - 4.9=82, 3854/2.9=28...(16) H ASN 52 - HG3 LYS 94 OK 19 97 - 20 - 3864/2.9=4, 3854/2.9=4...(5) H GLY 64 - HG3 LYS 94 OK 19 73 - 26 - 3864/2.9=4, 4.7/3887=4...(9) H LYS 35 - HG3 LYS 94 OK 19 98 - 19 - 3854/2.9=4, 3864/2.9=4...(6) Peak 3885 from cnoeabs.peaks (5.19, 1.44, 24.25 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 4.0=100 Peak 3886 from cnoeabs.peaks (1.82, 1.44, 24.25 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 2.9=100 Peak 3887 from cnoeabs.peaks (1.54, 1.44, 24.25 ppm; 2.40 A): 2 out of 10 assignments used, quality = 0.80: * HB3 LYS 94 + HG3 LYS 94 OK 77 100 - 77 - 2.9=54, 3868/1.8=13...(17) HB3 LYS 63 + HG3 LYS 94 OK 13 99 - 13 - 2913/2.9=1, 2913/2.9=1 HD2 LYS 86 - HG3 LYS 94 lone 9 100 - 9 - 3606/1.8=3 HG13 ILE 93 - HG3 LYS 94 lone 5 90 - 5 - 1033/4.9=2, 3875/4.0=1 HG2 LYS 45 - HG3 LYS 94 lone 5 78 - 6 - HB3 LEU 62 - HG3 LYS 94 lone 5 97 - 5 - 5965/4.9=1 HG3 LYS 44 - HG3 LYS 94 lone 4 89 - 4 - HB3 PRO 49 - HG3 LYS 94 lone 2 68 - 3 - HG3 LYS 41 - HG3 LYS 94 lone 1 60 - 2 - HB3 GLU 87 - HG3 LYS 94 lone 1 78 - 1 - Peak 3888 from cnoeabs.peaks (1.51, 1.44, 24.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 3889 from cnoeabs.peaks (1.44, 1.44, 24.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 Peak 3890 from cnoeabs.peaks (1.68, 1.44, 24.25 ppm; 2.83 A): 2 out of 19 assignments used, quality = 1.00: HD3 LYS 94 + HG3 LYS 94 OK 97 100 - 97 - 2.9=92, 3.4/3887=13...(28) * HD2 LYS 94 + HG3 LYS 94 OK 97 100 - 97 - 2.9=92, 3.4/3887=13...(28) HD3 LYS 63 - HG3 LYS 94 OK 19 100 - 19 - 1.8/2940=2, 3.9/3887=2 HD2 LYS 61 - HG3 LYS 94 OK 16 100 - 16 - 3871/2.9=1 HD3 LYS 61 - HG3 LYS 94 OK 16 100 - 16 - 3871/2.9=1 HD3 LYS 45 - HG3 LYS 94 poor 10 73 - 13 - 2.9/3887=1 HD2 LYS 45 - HG3 LYS 94 poor 9 68 - 14 - 2.9/3887=1 HD2 LYS 44 - HG3 LYS 94 lone 9 100 - 9 - HD3 LYS 44 - HG3 LYS 94 lone 9 100 - 9 - HB3 LYS 61 - HG3 LYS 94 lone 4 85 - 5 - HD3 LYS 35 - HG3 LYS 94 lone 4 99 - 4 - 1844/4.9=1 HB ILE 40 - HG3 LYS 94 lone 3 100 - 3 - QB ALA 79 - HG3 LYS 94 lone 3 98 - 3 - HG12 ILE 27 - HG3 LYS 94 lone 1 85 - 2 - HG3 ARG 57 - HG3 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HG3 LYS 94 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 94 lone 1 92 - 1 - HB2 MET 50 - HG3 LYS 94 lone 1 65 - 2 - HD2 LYS 77 - HG3 LYS 94 lone 1 71 - 1 - Peak 3891 from cnoeabs.peaks (1.68, 1.44, 24.25 ppm; 2.83 A): 2 out of 19 assignments used, quality = 1.00: * HD3 LYS 94 + HG3 LYS 94 OK 97 100 - 97 - 2.9=92, 3.4/3887=13...(28) HD2 LYS 94 + HG3 LYS 94 OK 97 100 - 97 - 2.9=92, 3.4/3887=13...(28) HD3 LYS 63 - HG3 LYS 94 OK 19 100 - 19 - 1.8/2940=2, 3.9/3887=2 HD2 LYS 61 - HG3 LYS 94 OK 16 100 - 16 - 3871/2.9=1 HD3 LYS 61 - HG3 LYS 94 OK 16 100 - 16 - 3871/2.9=1 HD3 LYS 45 - HG3 LYS 94 poor 10 73 - 13 - 2.9/3887=1 HD2 LYS 45 - HG3 LYS 94 poor 9 68 - 14 - 2.9/3887=1 HD2 LYS 44 - HG3 LYS 94 lone 9 100 - 9 - HD3 LYS 44 - HG3 LYS 94 lone 9 100 - 9 - HB3 LYS 61 - HG3 LYS 94 lone 4 85 - 5 - HD3 LYS 35 - HG3 LYS 94 lone 4 99 - 4 - 1844/4.9=1 HB ILE 40 - HG3 LYS 94 lone 3 100 - 3 - QB ALA 79 - HG3 LYS 94 lone 3 98 - 3 - HG12 ILE 27 - HG3 LYS 94 lone 1 85 - 2 - HG3 ARG 57 - HG3 LYS 94 lone 1 100 - 1 - HG2 ARG 57 - HG3 LYS 94 lone 1 100 - 1 - HG12 ILE 39 - HG3 LYS 94 lone 1 92 - 1 - HB2 MET 50 - HG3 LYS 94 lone 1 65 - 2 - HD2 LYS 77 - HG3 LYS 94 lone 1 71 - 1 - Peak 3892 from cnoeabs.peaks (2.98, 1.44, 24.25 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.7=100 HE3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.7=100 Peak 3893 from cnoeabs.peaks (2.97, 1.44, 24.25 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.7=100 HE2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.7=100 Peak 3894 from cnoeabs.peaks (8.35, 1.68, 28.61 ppm; 5.12 A): 2 out of 40 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 96 100 - 96 - 6.1=59, 3854/3.4=30...(20) H LYS 94 + HD3 LYS 94 OK 96 100 - 96 - 6.1=59, 3854/3.4=30...(20) H LYS 94 - HD3 LYS 61 OK 36 97 - 37 - 3.0/3895=4, 1036=3...(20) H LYS 94 - HD2 LYS 61 OK 36 97 - 37 - 3.0/3895=4, 1037=3...(20) H LYS 94 - HD3 LYS 63 OK 35 92 - 39 - 1035/3.0=4, 1035/3.0=4...(15) H GLY 64 - HD3 LYS 63 OK 32 62 - 52 - 289/5.0=18, 290/3.9=12...(6) H LYS 35 - HD2 LYS 94 OK 28 98 - 28 - 3884/2.9=5, 3864/3.4=4...(8) H LYS 35 - HD3 LYS 94 OK 28 98 - 28 - 3884/2.9=5, 3864/3.4=4...(8) H ASN 52 - HG12 ILE 27 OK 25 64 - 40 - ~4954=15, 5768/2.1=12...(6) H GLY 64 - HD2 LYS 94 OK 23 73 - 32 - 3884/2.9=5, 3864/3.4=5...(9) H GLY 64 - HD3 LYS 94 OK 23 73 - 32 - 3884/2.9=5, 3864/3.4=5...(9) H LYS 35 - HD2 LYS 61 OK 21 93 - 22 - 3.8/1801=3, 732/2.9=3...(7) H LYS 35 - HD3 LYS 61 OK 21 93 - 22 - 3.8/1801=3, 732/2.9=3...(7) H ASN 52 - HD2 LYS 94 OK 20 97 - 21 - 3884/2.9=5, 3864/3.4=4...(6) H ASN 52 - HD3 LYS 94 OK 20 97 - 21 - 3884/2.9=5, 3864/3.4=4...(6) H LYS 35 - HD2 LYS 44 OK 19 94 - 21 - 3.8/1801=3, 732/3.0=3...(7) H LYS 35 - HD3 LYS 44 OK 19 93 - 21 - 3.8/1801=3, 732/3.0=3...(7) H LYS 94 - HD2 LYS 44 OK 19 97 - 19 - 3.0/3905=2, 1037=2...(11) H LYS 94 - HD3 LYS 44 OK 19 97 - 19 - 3.0/3895=2, 1037=2...(11) H GLY 64 - HD2 LYS 61 OK 16 67 - 23 - 3.6/2893=3, 5983/4.8=3...(7) H GLY 64 - HD3 LYS 61 OK 16 67 - 23 - 3.6/2893=3, 5983/4.8=3...(7) H LYS 94 - HD3 LYS 45 OK 13 60 - 21 - 1034/2.9=2, 3.0/3850=2...(13) H LYS 35 - HD3 LYS 63 OK 12 88 - 13 - 124/5.9=4, 731=1, 4261/3.9=1 H LYS 35 - HG12 ILE 27 poor 9 66 - 14 - ~4954=3, 4.3/5203=2...(5) H ASN 52 - HD3 LYS 63 lone 8 85 - 9 - 5770/5.0=2, 233/3.0=1, 233/3.0=1 H ASN 52 - HD3 LYS 61 lone 6 91 - 7 - H ASN 52 - HD2 LYS 61 lone 6 91 - 7 - H LYS 94 - HG12 ILE 27 lone 6 70 - 9 - 433/5734=1, 6855/5746=1 H GLY 64 - HD2 LYS 44 lone 6 68 - 8 - H GLY 64 - HD3 LYS 44 lone 6 67 - 8 - H ASN 52 - HD2 LYS 44 lone 5 92 - 5 - H GLY 64 - HD3 LYS 45 poor 5 37 - 13 - 4.7/2913=2, 4.7/2903=2...(4) H ASN 52 - HD3 LYS 44 lone 5 91 - 5 - H GLY 64 - HG12 ILE 27 lone 4 44 - 10 - 5989/1.8=2, ~5984=2, ~5988=1 H GLY 64 - HD2 LYS 77 poor 4 34 - 11 - 4.7/2903=2, 3.6/2893=2...(5) H LYS 35 - HD3 LYS 45 lone 3 56 - 4 - H ASN 52 - HD3 LYS 45 lone 2 54 - 4 - H LYS 94 - HD2 LYS 77 lone 2 56 - 4 - 6857/3.7=1 H LYS 35 - HD2 LYS 77 lone 1 52 - 3 - H ASN 52 - HD2 LYS 77 lone 1 51 - 2 - Peak 3895 from cnoeabs.peaks (5.19, 1.68, 28.61 ppm; 4.09 A): 2 out of 20 assignments used, quality = 1.00: * HA LYS 94 + HD2 LYS 94 OK 97 100 - 97 - 4.7=66, 3875/2.9=19...(48) HA LYS 94 + HD3 LYS 94 OK 97 100 - 97 - 4.7=66, 3875/2.9=19...(48) HA LYS 94 - HD3 LYS 63 OK 38 92 - 42 - 3851=4, 3849/3.0=4...(19) HA LYS 94 - HD2 LYS 61 OK 35 97 - 37 - 3850=4, 3851/1.8=3...(15) HA LYS 94 - HD3 LYS 61 OK 35 97 - 37 - 3850=4, 3851/1.8=3...(15) HA ILE 16 - HG12 ILE 27 OK 20 68 - 29 - ~4097=5, 4579/2.1=4...(11) HA LYS 94 - HD3 LYS 45 OK 18 60 - 30 - 3848/2.9=3, 3850=2...(16) HA LYS 94 - HD2 LYS 44 OK 17 97 - 17 - 3851=2, 3.0/3870=1, 3850/1.8=1 HA LYS 94 - HD3 LYS 44 OK 17 97 - 17 - 3850=2, 3.0/3871=1, 3850/1.8=1 HA ILE 16 - HD3 LYS 94 lone 9 99 - 9 - 3875/2.9=2 HA ILE 16 - HD2 LYS 94 lone 9 99 - 9 - 3875/2.9=2 HA ILE 16 - HD3 LYS 63 lone 5 90 - 5 - ~4589=1, ~4577=1 HA ILE 16 - HD2 LYS 44 lone 5 96 - 5 - HA ILE 16 - HD3 LYS 44 lone 5 95 - 5 - HA ILE 16 - HD2 LYS 61 lone 4 95 - 4 - HA ILE 16 - HD3 LYS 61 lone 4 95 - 4 - HA LYS 94 - HG12 ILE 27 lone 3 70 - 4 - HA ILE 16 - HD2 LYS 77 lone 1 54 - 2 - HA LYS 94 - HD2 LYS 77 lone 1 56 - 2 - HA ILE 16 - HD3 LYS 45 lone 1 58 - 1 - Peak 3896 from cnoeabs.peaks (1.82, 1.68, 28.61 ppm; 3.24 A): 4 out of 90 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 97 100 - 97 - 3.4=83, 3858/2.9=16...(43) HB2 LYS 94 + HD3 LYS 94 OK 97 100 - 97 - 3.4=83, 3858/2.9=16...(43) HB2 LYS 61 + HD2 LYS 61 OK 70 84 - 82 - 3.9=58, 2772/2.9=5...(37) HB2 LYS 61 + HD3 LYS 61 OK 70 84 - 82 - 3.9=58, 2772/2.9=5...(37) HB2 LYS 94 - HD2 LYS 61 OK 28 97 - 29 - 1.8/3871=2, 3.0/3895=2...(7) HB2 LYS 94 - HD3 LYS 61 OK 28 97 - 29 - 1.8/3871=2, 3.0/3895=2...(7) HB2 LYS 94 - HD3 LYS 63 OK 28 92 - 30 - 1.8/3870=3, 3863/3.0=2...(14) HG LEU 62 - HD3 LYS 61 OK 16 91 - 18 - 5.0/4251=3, ~5958=2...(8) HG LEU 62 - HD2 LYS 61 OK 16 91 - 18 - 5.0/4251=3, ~5958=2...(8) HB2 LYS 94 - HD2 LYS 44 OK 15 97 - 16 - 1.8/3871=1 HB2 LYS 94 - HD3 LYS 44 OK 15 97 - 16 - 1.8/3871=1 HB2 LYS 94 - HD3 LYS 45 OK 15 60 - 25 - 3858/2.9=3, 1.8/3870=2...(5) HB2 LYS 61 - HD2 LYS 44 OK 14 85 - 17 - 2772/3.0=2, 2772/3.0=2, ~2782=1 HB2 LYS 61 - HD3 LYS 44 OK 14 84 - 17 - 2772/3.0=2, 2772/3.0=2, ~2782=1 HB2 GLN 48 - HG12 ILE 27 OK 14 57 - 24 - ~5613=6, ~4984=4...(8) HB2 LYS 61 - HD3 LYS 63 OK 13 78 - 17 - 4.4/4251=2, 285/5.9=1, 3.6/869=1 HB ILE 93 - HD3 LYS 94 OK 12 93 - 13 - 4377/6.1=4, ~3831=1 HB ILE 93 - HD2 LYS 94 OK 12 93 - 13 - 4377/6.1=4, ~3831=1 HB2 LYS 61 - HD2 LYS 94 poor 10 90 - 10 - HB2 LYS 61 - HD3 LYS 94 poor 10 90 - 10 - HG LEU 62 - HD2 LYS 94 lone 9 97 - 10 - HG LEU 62 - HD3 LYS 94 lone 9 97 - 10 - HG LEU 62 - HD3 LYS 63 poor 9 85 - 10 - 4257/5.9=3, 5.0/4251=1...(4) HB3 GLU 65 - HD3 LYS 94 lone 7 100 - 8 - ~7114=2, ~6866=1, ~6865=1 HB3 GLU 65 - HD2 LYS 94 lone 7 100 - 8 - ~7114=2, ~6866=1, ~6865=1 HB ILE 39 - HD2 LYS 94 lone 5 100 - 5 - HB ILE 39 - HD3 LYS 94 lone 5 100 - 5 - HB ILE 39 - HD3 LYS 61 lone 5 97 - 5 - HB ILE 39 - HD2 LYS 61 lone 5 97 - 5 - HB ILE 93 - HG12 ILE 27 lone 4 60 - 6 - ~4979=1, ~6853=1, ~4967=1 HB2 LYS 61 - HD3 LYS 45 lone 4 48 - 8 - HB ILE 39 - HD2 LYS 44 lone 4 97 - 4 - HB ILE 39 - HD3 LYS 44 lone 4 97 - 4 - HB3 GLU 65 - HG12 ILE 27 lone 3 70 - 4 - ~5999=1 HB3 GLU 65 - HD3 LYS 63 lone 2 92 - 3 - HG LEU 62 - HD2 LYS 44 lone 2 92 - 3 - HG LEU 62 - HD3 LYS 44 lone 2 91 - 3 - HB ILE 93 - HD3 LYS 63 lone 2 81 - 3 - HG LEU 62 - HD3 LYS 45 lone 2 54 - 4 - HB2 PRO 74 - HG12 ILE 27 lone 2 59 - 3 - ~4985=1 HB ILE 93 - HD2 LYS 61 lone 2 88 - 2 - HB ILE 93 - HD3 LYS 61 lone 2 88 - 2 - HB2 PRO 74 - HD2 LYS 77 lone 2 47 - 4 - ~6332=3 HB2 LYS 94 - HG12 ILE 27 lone 2 70 - 2 - HB2 PRO 74 - HD3 LYS 94 lone 2 92 - 2 - HB2 PRO 74 - HD2 LYS 94 lone 2 92 - 2 - HB ILE 39 - HD2 LYS 77 lone 2 56 - 3 - HB ILE 39 - HD3 LYS 63 lone 1 92 - 2 - HB3 GLU 65 - HD2 LYS 61 lone 1 97 - 1 - HB3 GLU 65 - HD3 LYS 61 lone 1 97 - 1 - HB ILE 39 - HD3 LYS 45 lone 1 60 - 2 - HB ILE 93 - HD2 LYS 44 lone 1 88 - 1 - HB ILE 93 - HD3 LYS 44 lone 1 87 - 1 - HB3 GLU 65 - HD2 LYS 44 lone 1 97 - 1 - HB3 GLU 65 - HD3 LYS 44 lone 1 96 - 1 - HB2 PRO 74 - HD3 LYS 63 lone 1 80 - 1 - HB2 GLN 48 - HD2 LYS 94 lone 1 90 - 1 - HB2 GLN 48 - HD3 LYS 94 lone 1 90 - 1 - HB2 PRO 74 - HD2 LYS 61 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 61 lone 1 86 - 1 - HB2 LYS 94 - HD2 LYS 77 lone 1 56 - 2 - HG2 GLU 87 - HD2 LYS 94 lone 1 78 - 1 - HG2 GLU 87 - HD3 LYS 94 lone 1 78 - 1 - HG2 GLU 87 - HG12 ILE 27 lone 1 47 - 2 - HG2 GLU 87 - HD3 LYS 61 lone 1 72 - 1 - HG2 GLU 87 - HD2 LYS 61 lone 1 72 - 1 - HB ILE 39 - HG12 ILE 27 lone 1 70 - 1 - HB2 PRO 74 - HD2 LYS 44 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 44 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 45 lone 1 50 - 2 - HB2 GLN 48 - HD3 LYS 63 lone 1 78 - 1 - HB3 GLU 65 - HD2 LYS 77 lone 1 56 - 1 - HB2 GLN 48 - HD3 LYS 61 lone 1 84 - 1 - HB2 GLN 48 - HD2 LYS 61 lone 1 84 - 1 - HG2 GLU 87 - HD3 LYS 63 lone 1 66 - 1 - HG LEU 62 - HD2 LYS 77 lone 1 51 - 1 - HB3 GLU 65 - HD3 LYS 45 lone 1 59 - 1 - HB2 LYS 61 - HD2 LYS 77 lone 1 45 - 1 - HG2 GLU 87 - HD2 LYS 44 lone 1 73 - 1 - HG2 GLU 87 - HD3 LYS 44 lone 1 72 - 1 - HB ILE 93 - HD3 LYS 45 lone 1 51 - 1 - HB2 GLN 48 - HD2 LYS 44 lone 0 85 - 1 - HB2 GLN 48 - HD3 LYS 44 lone 0 84 - 1 - HB2 LYS 61 - HG12 ILE 27 lone 0 57 - 1 - HG LEU 62 - HG12 ILE 27 lone 0 64 - 1 - HB ILE 93 - HD2 LYS 77 lone 0 48 - 1 - HB2 GLN 48 - HD3 LYS 45 lone 0 48 - 1 - HG2 GLU 87 - HD3 LYS 45 lone 0 40 - 1 - HG2 GLU 87 - HD2 LYS 77 lone 0 37 - 1 - HB2 GLN 48 - HD2 LYS 77 lone 0 45 - 0 - Peak 3897 from cnoeabs.peaks (1.54, 1.68, 28.61 ppm; 2.44 A): 5 out of 100 assignments used, quality = 0.99: * HB3 LYS 94 + HD2 LYS 94 OK 72 100 - 72 - 3.4=35, 3887/2.9=12...(29) HB3 LYS 94 + HD3 LYS 94 OK 72 100 - 72 - 3.4=35, 3887/2.9=12...(29) HG3 LYS 44 + HD2 LYS 44 OK 61 83 - 73 - 3.0=56, 1.8/2198=8...(14) HG3 LYS 44 + HD3 LYS 44 OK 60 82 - 73 - 3.0=56, 1.8/2198=8...(14) HB3 LYS 63 + HD3 LYS 63 OK 54 88 - 61 - 3.9=24, 2912/1.8=9...(22) HG2 LYS 45 - HD3 LYS 45 OK 29 40 - 73 - 2.9=58, 2284/1.8=6...(19) HB3 LYS 63 - HD3 LYS 94 OK 22 99 - 22 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 63 - HD2 LYS 94 OK 22 99 - 22 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 94 - HD3 LYS 63 OK 16 92 - 18 - 3870=2, 2.9/3891=1 HB3 LYS 94 - HD3 LYS 61 OK 14 97 - 14 - 3870=1, 3870/1.8=1 HB3 LYS 94 - HD2 LYS 61 OK 14 97 - 14 - 3870=1, 3870/1.8=1 HB3 PRO 49 - HG12 ILE 27 OK 14 40 - 34 - 4965/3.2=4, ~4951=4...(14) HB3 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 1.8/2903=1, 2913=1, 2913/1.8=1 HB3 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 1.8/2903=1, 2913=1, 2913/1.8=1 HG3 LYS 44 - HD3 LYS 61 OK 12 83 - 15 - 1.8/2198=2, 2207=2, 2207/1.8=1 HG3 LYS 44 - HD2 LYS 61 OK 12 83 - 15 - 1.8/2198=2, 2207=2, 2207/1.8=1 HB3 LEU 62 - HD3 LYS 61 poor 9 91 - 10 - 3.6/277=2 HB3 LEU 62 - HD2 LYS 61 poor 9 91 - 10 - 3.6/277=2 HD2 LYS 86 - HD2 LYS 94 lone 7 100 - 7 - 3606/2.9=2, 3887/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 7 100 - 7 - 3606/2.9=2, 3887/2.9=1 HB3 LYS 94 - HD3 LYS 45 poor 7 60 - 12 - 3868/2.9=1 HB3 LYS 94 - HD2 LYS 44 lone 7 97 - 7 - HB3 LYS 94 - HD3 LYS 44 lone 7 97 - 7 - HB3 LEU 62 - HD3 LYS 63 lone 7 85 - 8 - 5950/5.0=2, 4256/5.9=2 HB3 LEU 62 - HD3 LYS 94 lone 6 97 - 7 - HB3 LEU 62 - HD2 LYS 94 lone 6 97 - 7 - HG2 LYS 45 - HD2 LYS 94 lone 6 78 - 7 - HG2 LYS 45 - HD3 LYS 94 lone 6 78 - 7 - HG2 LYS 45 - HD2 LYS 44 lone 6 73 - 8 - HG3 LYS 44 - HD3 LYS 94 lone 6 89 - 6 - HG3 LYS 44 - HD2 LYS 94 lone 6 89 - 6 - HG2 LYS 45 - HD3 LYS 44 lone 6 72 - 8 - HG13 ILE 93 - HD3 LYS 94 lone 5 90 - 6 - HG13 ILE 93 - HD2 LYS 94 lone 5 90 - 6 - HG2 LYS 45 - HD2 LYS 61 lone 5 72 - 7 - HG2 LYS 45 - HD3 LYS 61 lone 5 72 - 7 - HG3 LYS 44 - HD3 LYS 45 poor 5 47 - 11 - 192/6.3=2, 1.8/2199=1 HB3 LYS 63 - HD2 LYS 77 lone 5 53 - 9 - 2912/3.0=2, 2912/3.0=2...(4) HB3 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HB3 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HB3 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HD2 LYS 86 - HD3 LYS 63 lone 2 90 - 3 - HG3 LYS 44 - HG12 ILE 27 lone 2 56 - 4 - HD2 LYS 86 - HD2 LYS 61 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 2 96 - 2 - HB3 PRO 49 - HD2 LYS 94 lone 2 68 - 2 - HB3 PRO 49 - HD3 LYS 94 lone 2 68 - 2 - HD2 LYS 86 - HD2 LYS 44 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 44 lone 2 96 - 2 - HG3 LYS 41 - HD2 LYS 61 lone 2 55 - 3 - HG3 LYS 41 - HD3 LYS 61 lone 2 55 - 3 - HG2 LYS 45 - HD3 LYS 63 lone 2 66 - 2 - HB3 PRO 49 - HD2 LYS 44 lone 2 63 - 3 - HB3 PRO 49 - HD3 LYS 44 lone 2 62 - 3 - HG3 LYS 41 - HD2 LYS 94 lone 2 60 - 2 - HG3 LYS 41 - HD3 LYS 94 lone 2 60 - 2 - HG13 ILE 93 - HG12 ILE 27 lone 2 57 - 3 - HB3 PRO 49 - HD3 LYS 63 lone 1 57 - 3 - HB3 LEU 62 - HD2 LYS 44 lone 1 92 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 91 - 1 - HD2 LYS 86 - HG12 ILE 27 lone 1 69 - 2 - HG3 LYS 44 - HD3 LYS 63 lone 1 76 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 54 - 2 - HB3 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - HG3 LYS 41 - HD2 LYS 44 lone 1 55 - 1 - HG3 LYS 41 - HD3 LYS 44 lone 1 55 - 1 - HG3 LYS 41 - HD3 LYS 45 lone 1 29 - 3 - HG13 ILE 93 - HD3 LYS 63 lone 1 78 - 1 - HB3 GLU 87 - HG12 ILE 27 lone 1 47 - 2 - HD2 LYS 86 - HD3 LYS 45 lone 1 58 - 1 - HB3 GLU 87 - HD2 LYS 94 lone 1 78 - 1 - HB3 GLU 87 - HD3 LYS 94 lone 1 78 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 1 84 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 1 84 - 1 - HG3 LYS 44 - HD2 LYS 77 lone 1 44 - 1 - HB3 PRO 49 - HD2 LYS 61 lone 0 62 - 1 - HB3 PRO 49 - HD3 LYS 61 lone 0 62 - 1 - HB3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HG13 ILE 93 - HD2 LYS 44 lone 0 85 - 0 - HG13 ILE 93 - HD3 LYS 44 lone 0 84 - 0 - HB3 LEU 62 - HD2 LYS 77 lone 0 51 - 1 - HB3 GLU 87 - HD2 LYS 61 lone 0 72 - 1 - HB3 GLU 87 - HD3 LYS 61 lone 0 72 - 1 - HB3 LYS 63 - HG12 ILE 27 lone 0 67 - 1 - HG3 LYS 41 - HG12 ILE 27 lone 0 35 - 1 - HB3 LEU 62 - HG12 ILE 27 lone 0 64 - 0 - HB3 GLU 87 - HD2 LYS 44 lone 0 73 - 0 - HB3 GLU 87 - HD3 LYS 44 lone 0 72 - 0 - HB3 PRO 49 - HD3 LYS 45 lone 0 34 - 1 - HG3 LYS 41 - HD3 LYS 63 lone 0 50 - 0 - HB3 GLU 87 - HD3 LYS 63 lone 0 66 - 0 - HG2 LYS 45 - HG12 ILE 27 lone 0 47 - 0 - HG2 LYS 45 - HD2 LYS 77 lone 0 37 - 1 - HG13 ILE 93 - HD3 LYS 45 lone 0 48 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 55 - 0 - HG3 LYS 41 - HD2 LYS 77 lone 0 27 - 1 - HB3 PRO 49 - HD2 LYS 77 lone 0 31 - 0 - HB3 GLU 87 - HD3 LYS 45 lone 0 40 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 45 - 0 - HB3 GLU 87 - HD2 LYS 77 lone 0 37 - 0 - Peak 3898 from cnoeabs.peaks (1.51, 1.68, 28.61 ppm; 2.53 A): 2 out of 80 assignments used, quality = 0.98: * HG2 LYS 94 + HD2 LYS 94 OK 85 100 - 85 - 2.9=66, 1.8/3891=8...(20) HG2 LYS 94 + HD3 LYS 94 OK 85 100 - 85 - 2.9=66, 1.8/3891=8...(20) HG2 LYS 45 - HD3 LYS 45 OK 44 56 - 80 - 2.9=65, 2284/1.8=9...(22) HB3 LYS 63 - HD3 LYS 63 OK 40 64 - 62 - 3.9=27, 2912/1.8=7...(22) HG LEU 53 - HG12 ILE 27 OK 31 67 - 45 - ~4980=7, ~4975=7...(14) HB3 LYS 63 - HD2 LYS 94 OK 17 76 - 22 - 1.8/2903=2, 3868/3.4=1...(7) HB3 LYS 63 - HD3 LYS 94 OK 17 76 - 22 - 1.8/2903=2, 3868/3.4=1...(7) HG2 LYS 94 - HD3 LYS 63 OK 16 92 - 18 - 3880=2, 1.8/3890=2...(6) HG2 LYS 94 - HD3 LYS 61 OK 14 97 - 15 - 3880=2, 1.8/3890=1...(4) HG2 LYS 94 - HD2 LYS 61 OK 14 97 - 15 - 3880=2, 1.8/3890=1...(4) HG2 LYS 45 - HD3 LYS 94 OK 10 98 - 10 - 3858/3.4=1, 3868/3.4=1 HG2 LYS 45 - HD2 LYS 94 OK 10 98 - 10 - 3858/3.4=1, 3868/3.4=1 HB3 LYS 63 - HD2 LYS 61 poor 9 70 - 13 - 1.8/2903=1 HB3 LYS 63 - HD3 LYS 61 poor 9 70 - 13 - 1.8/2903=1 HG2 LYS 45 - HD2 LYS 44 lone 9 94 - 10 - 2088/3.0=1 HG2 LYS 45 - HD3 LYS 44 lone 9 93 - 10 - 2088/3.0=1, 2284=1 HG13 ILE 93 - HD3 LYS 94 lone 9 92 - 9 - 3875/4.7=2, 3868/3.4=1 HG13 ILE 93 - HD2 LYS 94 lone 9 92 - 9 - 3875/4.7=2, 3868/3.4=1 HB3 LEU 62 - HD2 LYS 61 poor 8 77 - 11 - 3.6/277=2 HB3 LEU 62 - HD3 LYS 61 poor 8 77 - 11 - 3.6/277=2 HG2 LYS 94 - HD2 LYS 44 lone 8 97 - 8 - 3881=1 HG2 LYS 94 - HD3 LYS 44 lone 8 97 - 8 - 3880=1 HG2 LYS 45 - HD2 LYS 61 lone 8 93 - 9 - HG2 LYS 45 - HD3 LYS 61 lone 8 93 - 9 - HG2 LYS 94 - HD3 LYS 45 poor 7 60 - 12 - 3880=1 HB3 LEU 62 - HD3 LYS 94 lone 6 83 - 7 - HB3 LEU 62 - HD2 LYS 94 lone 6 83 - 7 - HG2 LYS 86 - HD2 LYS 94 lone 6 97 - 6 - 3588/3.4=2 HG2 LYS 86 - HD3 LYS 94 lone 6 97 - 6 - 3588/3.4=2 HB3 LEU 62 - HD3 LYS 63 lone 6 71 - 8 - 5950/5.0=2, 4256/5.9=2 HG3 LYS 41 - HD3 LYS 61 lone 4 97 - 4 - HG3 LYS 41 - HD2 LYS 61 lone 4 97 - 4 - HG3 LYS 41 - HD2 LYS 94 lone 4 100 - 4 - HG3 LYS 41 - HD3 LYS 94 lone 4 100 - 4 - HB3 LYS 63 - HD3 LYS 45 lone 3 38 - 8 - HB3 LYS 63 - HD2 LYS 77 lone 3 36 - 9 - 2912/3.0=1, 2912/3.0=1...(4) HG2 LYS 45 - HD3 LYS 63 lone 2 88 - 3 - HG LEU 53 - HD3 LYS 94 lone 2 99 - 2 - HG LEU 53 - HD2 LYS 94 lone 2 99 - 2 - HB3 LYS 63 - HD2 LYS 44 lone 2 70 - 3 - HG3 LYS 41 - HD3 LYS 45 lone 2 59 - 4 - HB3 LYS 63 - HD3 LYS 44 lone 2 70 - 3 - HG3 LYS 41 - HD2 LYS 44 lone 2 97 - 2 - HG3 LYS 41 - HD3 LYS 44 lone 2 96 - 2 - HG2 LYS 86 - HD3 LYS 63 lone 2 85 - 2 - HG13 ILE 93 - HG12 ILE 27 lone 2 59 - 3 - HG2 LYS 86 - HD2 LYS 61 lone 1 91 - 1 - HG2 LYS 86 - HD3 LYS 61 lone 1 91 - 1 - HG2 LYS 86 - HD2 LYS 44 lone 1 92 - 1 - HG2 LYS 86 - HD3 LYS 44 lone 1 91 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 77 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 76 - 1 - HG13 ILE 93 - HD3 LYS 63 lone 1 80 - 1 - HG2 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - HG3 LYS 41 - HG12 ILE 27 lone 1 70 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 43 - 2 - HG2 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 1 86 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 1 86 - 1 - HG13 ILE 93 - HD2 LYS 44 lone 1 86 - 1 - HG13 ILE 93 - HD3 LYS 44 lone 1 86 - 1 - HG LEU 53 - HD2 LYS 61 lone 1 95 - 1 - HG LEU 53 - HD3 LYS 61 lone 1 95 - 1 - HG3 LYS 41 - HD3 LYS 63 lone 1 92 - 1 - HG2 LYS 86 - HD3 LYS 45 lone 1 54 - 1 - HG LEU 53 - HD3 LYS 63 lone 0 89 - 0 - HG LEU 53 - HD2 LYS 44 lone 0 95 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 95 - 0 - HG LEU 53 - HD2 LYS 77 lone 0 54 - 1 - HG2 LYS 45 - HG12 ILE 27 lone 0 66 - 1 - HG2 LYS 45 - HD2 LYS 77 lone 0 52 - 1 - HG3 LYS 41 - HD2 LYS 77 lone 0 56 - 1 - HG13 ILE 93 - HD3 LYS 45 lone 0 50 - 1 - HB3 LEU 62 - HD2 LYS 77 lone 0 40 - 1 - HG2 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HB3 LYS 63 - HG12 ILE 27 lone 0 46 - 1 - HG LEU 53 - HD3 LYS 45 lone 0 57 - 0 - HB3 LEU 62 - HG12 ILE 27 lone 0 51 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 51 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 47 - 0 - Peak 3899 from cnoeabs.peaks (1.44, 1.68, 28.61 ppm; 2.48 A): 8 out of 120 assignments used, quality = 1.00: * HG3 LYS 94 + HD2 LYS 94 OK 81 100 - 81 - 2.9=62, 3887/3.4=10...(20) HG3 LYS 94 + HD3 LYS 94 OK 81 100 - 81 - 2.9=62, 3887/3.4=10...(20) HG2 LYS 63 + HD3 LYS 63 OK 71 88 - 80 - 3.0=59, 2941/1.8=9...(14) HG3 LYS 63 + HD3 LYS 63 OK 71 88 - 80 - 3.0=59, 2941/1.8=9...(14) HG3 LYS 61 + HD3 LYS 61 OK 57 77 - 75 - 3.0=59, 1.8/2791=2...(20) HG3 LYS 61 + HD2 LYS 61 OK 57 77 - 75 - 3.0=59, 1.8/2791=2...(20) HG2 LYS 61 + HD2 LYS 61 OK 56 74 - 75 - 3.0=59, 1.8/2791=2...(22) HG2 LYS 61 + HD3 LYS 61 OK 56 74 - 75 - 3.0=59, 1.8/2791=2...(22) HG3 LYS 63 - HD2 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG3 LYS 63 - HD3 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HB ILE 51 - HG12 ILE 27 OK 21 57 - 38 - 5748/3.2=7, 5748/2.1=7...(14) HG13 ILE 51 - HG12 ILE 27 OK 17 67 - 25 - 2.1/5746=3, ~5748=2...(16) HG3 LYS 94 - HD3 LYS 63 OK 15 92 - 16 - 3890=2, 2940/1.8=2...(5) HG3 LYS 94 - HD3 LYS 61 OK 13 97 - 13 - 3891=2, 3891/1.8=1, 1.8/3880=1 HG3 LYS 94 - HD2 LYS 61 OK 13 97 - 13 - 3891=2, 3891/1.8=1, 1.8/3880=1 HG2 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG2 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG3 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG3 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 2.9/2903=1 QB ALA 31 - HG12 ILE 27 poor 10 47 - 21 - 7178/2.1=5, 5081/3.8=4...(7) HG3 LYS 61 - HD3 LYS 63 poor 9 71 - 13 - 2940/1.8=2 HG2 LYS 61 - HD3 LYS 63 poor 9 69 - 13 - 2941/1.8=2 HG3 LYS 61 - HD2 LYS 44 poor 8 77 - 11 - HG3 LYS 61 - HD3 LYS 44 poor 8 76 - 11 - HG2 LYS 61 - HD2 LYS 44 poor 8 75 - 11 - HG2 LYS 61 - HD3 LYS 44 poor 8 74 - 11 - HG3 LYS 94 - HD2 LYS 44 lone 8 97 - 8 - 3891=1 HG3 LYS 94 - HD3 LYS 44 lone 8 97 - 8 - 3890=1 QG2 THR 67 - HG12 ILE 27 poor 7 64 - 10 - 6092/1.8=3, 6101/2.1=2, ~6094=2 HG12 ILE 80 - HD2 LYS 77 poor 7 51 - 13 - ~6426=4, 6520/4.6=3...(6) HG3 LYS 94 - HD3 LYS 45 poor 6 60 - 11 - 3890=1 HG3 LYS 61 - HD3 LYS 94 lone 6 83 - 8 - HG3 LYS 61 - HD2 LYS 94 lone 6 83 - 8 - HG2 LYS 61 - HD3 LYS 94 lone 6 81 - 8 - HG2 LYS 61 - HD2 LYS 94 lone 6 81 - 8 - HD3 LYS 86 - HD2 LYS 94 lone 6 83 - 7 - 3616/2.9=1 HD3 LYS 86 - HD3 LYS 94 lone 6 83 - 7 - 3616/2.9=1 HG2 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HG3 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HG12 ILE 80 - HG12 ILE 27 lone 4 64 - 6 - 6503/2.1=1 HG13 ILE 51 - HD2 LYS 94 lone 4 99 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 99 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HG2 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD2 LYS 77 lone 3 53 - 6 - HG2 LYS 63 - HD2 LYS 77 lone 3 53 - 6 - HB ILE 51 - HD2 LYS 94 lone 3 90 - 4 - HB ILE 51 - HD3 LYS 94 lone 3 90 - 4 - HG13 ILE 51 - HD2 LYS 44 lone 2 94 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 94 - 3 - HB ILE 51 - HD2 LYS 44 lone 2 85 - 3 - HB ILE 51 - HD3 LYS 44 lone 2 84 - 3 - QB ALA 31 - HD2 LYS 44 lone 2 73 - 3 - QB ALA 31 - HD3 LYS 44 lone 2 72 - 3 - HG3 LYS 61 - HD3 LYS 45 lone 2 43 - 5 - HB ILE 51 - HD3 LYS 63 lone 2 78 - 3 - QB ALA 31 - HD3 LYS 45 lone 2 40 - 5 - 5095/3.6=1, 5095/3.6=1 HG2 LYS 61 - HD3 LYS 45 lone 2 41 - 5 - HB2 LYS 41 - HD2 LYS 61 lone 2 57 - 3 - HB2 LYS 41 - HD3 LYS 61 lone 2 57 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 2 88 - 2 - QB ALA 31 - HD3 LYS 94 lone 2 78 - 2 - QB ALA 31 - HD2 LYS 94 lone 2 78 - 2 - HD3 LYS 86 - HD2 LYS 61 lone 2 77 - 2 - HD3 LYS 86 - HD3 LYS 61 lone 2 77 - 2 - HB2 LYS 41 - HD2 LYS 94 lone 2 63 - 2 - HB2 LYS 41 - HD3 LYS 94 lone 2 63 - 2 - HD3 LYS 86 - HD3 LYS 63 lone 2 71 - 2 - HG12 ILE 80 - HD3 LYS 94 lone 1 97 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 97 - 1 - HB2 LYS 41 - HD3 LYS 45 lone 1 30 - 5 - QG2 THR 67 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HD2 LYS 44 lone 1 77 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 1 76 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 1 94 - 1 - HG13 ILE 51 - HD2 LYS 61 lone 1 94 - 1 - HB ILE 51 - HD3 LYS 61 lone 1 84 - 1 - HB ILE 51 - HD2 LYS 61 lone 1 84 - 1 - QB ALA 31 - HD3 LYS 63 lone 1 66 - 2 - QB ALA 31 - HD3 LYS 61 lone 1 72 - 1 - QB ALA 31 - HD2 LYS 61 lone 1 72 - 1 - HG12 ILE 80 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HG12 ILE 27 lone 1 51 - 2 - QG2 THR 67 - HD2 LYS 94 lone 1 97 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 97 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 91 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 91 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 1 92 - 1 - HB2 LYS 41 - HG12 ILE 27 lone 1 37 - 2 - HG12 ILE 80 - HD3 LYS 44 lone 1 91 - 1 - HB2 LYS 41 - HD2 LYS 44 lone 1 58 - 1 - HB2 LYS 41 - HD3 LYS 44 lone 1 57 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 1 67 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 1 67 - 1 - HG13 ILE 51 - HD2 LYS 77 lone 1 53 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 91 - 1 - HG12 ILE 80 - HD2 LYS 61 lone 0 91 - 1 - QB ALA 31 - HD2 LYS 77 lone 1 37 - 1 - HD3 LYS 86 - HD3 LYS 45 lone 1 43 - 1 - QG2 THR 67 - HD2 LYS 44 lone 0 92 - 0 - QG2 THR 67 - HD3 LYS 44 lone 0 91 - 0 - HG3 LYS 61 - HD2 LYS 77 lone 0 40 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 57 - 1 - HG2 LYS 61 - HD2 LYS 77 lone 0 39 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 0 54 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HB ILE 51 - HD2 LYS 77 lone 0 45 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 51 - 1 - HB ILE 51 - HD3 LYS 45 lone 0 48 - 1 - HB2 LYS 41 - HD3 LYS 63 lone 0 52 - 0 - HG3 LYS 61 - HG12 ILE 27 lone 0 51 - 0 - HG2 LYS 61 - HG12 ILE 27 lone 0 49 - 0 - HB2 LYS 41 - HD2 LYS 77 lone 0 28 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 40 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 54 - 0 - Peak 3900 from cnoeabs.peaks (1.68, 1.68, 28.61 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: * HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 97 97 - 100 HD3 LYS 61 + HD3 LYS 61 OK 96 96 - 100 HD2 LYS 61 + HD2 LYS 61 OK 96 96 - 100 HD3 LYS 44 + HD3 LYS 44 OK 96 96 - 100 HD3 LYS 63 + HD3 LYS 63 OK 91 91 - 100 HG12 ILE 27 + HG12 ILE 27 OK 53 53 - 100 HD3 LYS 45 - HD3 LYS 45 OK 37 37 - 100 HD2 LYS 77 - HD2 LYS 77 OK 33 33 - 100 Peak 3901 from cnoeabs.peaks (1.68, 1.68, 28.61 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 97 97 - 100 HD3 LYS 61 + HD3 LYS 61 OK 96 96 - 100 HD2 LYS 61 + HD2 LYS 61 OK 96 96 - 100 HD3 LYS 44 + HD3 LYS 44 OK 96 96 - 100 HD3 LYS 63 + HD3 LYS 63 OK 91 91 - 100 HG12 ILE 27 + HG12 ILE 27 OK 53 53 - 100 HD3 LYS 45 - HD3 LYS 45 OK 37 37 - 100 HD2 LYS 77 - HD2 LYS 77 OK 33 33 - 100 Reference assignment not found: HD3 LYS 94 - HD2 LYS 94 Peak 3902 from cnoeabs.peaks (2.98, 1.68, 28.61 ppm; 2.70 A): 8 out of 70 assignments used, quality = 1.00: HE3 LYS 94 + HD2 LYS 94 OK 86 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 94 + HD3 LYS 94 OK 86 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD3 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3890=5...(19) * HE2 LYS 94 + HD2 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3890=5...(19) HE3 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE2 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 61 + HD3 LYS 61 OK 60 70 - 85 - 2.9=78, 1.8/2830=3...(17) HE3 LYS 61 + HD2 LYS 61 OK 60 70 - 85 - 2.9=78, 1.8/2830=3...(17) HE2 LYS 45 - HD3 LYS 45 OK 43 51 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 43 51 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD2 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD3 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 12 91 - 14 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 12 92 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 63 - HD3 LYS 61 OK 12 97 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 12 97 - 12 - HE3 LYS 63 - HD2 LYS 61 OK 12 97 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 97 - 12 - HE2 LYS 45 - HD3 LYS 94 OK 11 93 - 12 - HE3 LYS 45 - HD2 LYS 94 OK 11 93 - 12 - HE3 LYS 45 - HD3 LYS 94 OK 11 93 - 12 - HE2 LYS 45 - HD2 LYS 94 OK 11 93 - 12 - HE3 LYS 61 - HD2 LYS 44 poor 8 70 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 8 70 - 11 - HE3 LYS 94 - HD2 LYS 61 lone 7 96 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 96 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 97 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 97 - 7 - HE3 LYS 61 - HD2 LYS 94 lone 7 76 - 9 - HE3 LYS 61 - HD3 LYS 94 lone 7 76 - 9 - HE3 LYS 45 - HD2 LYS 44 lone 7 88 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 7 88 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 7 87 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 7 87 - 8 - HE2 LYS 45 - HD3 LYS 61 lone 6 88 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 5 81 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 5 81 - 6 - HE2 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 4 96 - 4 - HE3 LYS 61 - HD3 LYS 63 lone 3 64 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 3 59 - 6 - HE2 LYS 94 - HD3 LYS 45 lone 3 60 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 60 - 5 - HE2 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 97 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 38 - 5 - HE3 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 70 - 1 - HE3 LYS 94 - HG12 ILE 27 lone 0 69 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 36 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 55 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 46 - 0 - Peak 3903 from cnoeabs.peaks (2.97, 1.68, 28.61 ppm; 2.70 A): 8 out of 70 assignments used, quality = 1.00: * HE3 LYS 94 + HD2 LYS 94 OK 87 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 94 + HD3 LYS 94 OK 87 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD3 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD2 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 63 + HD3 LYS 63 OK 77 91 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 61 + HD3 LYS 61 OK 51 60 - 85 - 2.9=78, 1.8/2831=3...(15) HE3 LYS 61 + HD2 LYS 61 OK 51 60 - 85 - 2.9=78, 1.8/2831=3...(15) HE2 LYS 45 - HD3 LYS 45 OK 38 46 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 38 46 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD3 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD2 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 12 92 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 12 91 - 13 - 2904/3.9=1, 2914/3.9=1 HE3 LYS 63 - HD2 LYS 61 OK 12 96 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 96 - 12 - HE2 LYS 63 - HD3 LYS 61 OK 11 97 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 11 97 - 12 - HE3 LYS 45 - HD2 LYS 94 OK 10 87 - 12 - HE3 LYS 45 - HD3 LYS 94 OK 10 87 - 12 - HE2 LYS 45 - HD3 LYS 94 OK 10 87 - 12 - HE2 LYS 45 - HD2 LYS 94 OK 10 87 - 12 - HE3 LYS 94 - HD2 LYS 61 lone 7 97 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 97 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 96 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 96 - 7 - HE3 LYS 61 - HD2 LYS 44 poor 6 60 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 6 60 - 11 - HE3 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 6 80 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 6 80 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 6 65 - 9 - HE3 LYS 61 - HD3 LYS 94 lone 6 65 - 9 - HE2 LYS 45 - HD3 LYS 61 lone 5 81 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 5 81 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 5 81 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 5 81 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 4 75 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 4 75 - 6 - HE3 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 4 96 - 4 - HE3 LYS 94 - HD3 LYS 45 lone 3 60 - 5 - HE2 LYS 94 - HD3 LYS 45 lone 3 59 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 55 - 5 - HE2 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 32 - 5 - HE2 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 94 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 69 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 69 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 55 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 30 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 54 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 54 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 38 - 0 - Peak 3904 from cnoeabs.peaks (8.35, 1.68, 28.61 ppm; 5.12 A): 2 out of 40 assignments used, quality = 1.00: H LYS 94 + HD2 LYS 94 OK 96 100 - 96 - 6.1=59, 3854/3.4=30...(20) * H LYS 94 + HD3 LYS 94 OK 96 100 - 96 - 6.1=59, 3854/3.4=30...(20) H LYS 94 - HD3 LYS 61 OK 36 97 - 37 - 3.0/3895=4, 1036=3...(20) H LYS 94 - HD2 LYS 61 OK 36 97 - 37 - 3.0/3895=4, 1037=3...(20) H LYS 94 - HD3 LYS 63 OK 35 92 - 39 - 1035/3.0=4, 1035/3.0=4...(15) H GLY 64 - HD3 LYS 63 OK 32 62 - 52 - 289/5.0=18, 290/3.9=12...(6) H LYS 35 - HD2 LYS 94 OK 28 98 - 28 - 3884/2.9=5, 3864/3.4=4...(8) H LYS 35 - HD3 LYS 94 OK 28 98 - 28 - 3884/2.9=5, 3864/3.4=4...(8) H ASN 52 - HG12 ILE 27 OK 25 64 - 40 - ~4954=15, 5768/2.1=12...(6) H GLY 64 - HD2 LYS 94 OK 23 73 - 32 - 3884/2.9=5, 3864/3.4=5...(9) H GLY 64 - HD3 LYS 94 OK 23 73 - 32 - 3884/2.9=5, 3864/3.4=5...(9) H LYS 35 - HD2 LYS 61 OK 21 93 - 22 - 3.8/1801=3, 732/2.9=3...(7) H LYS 35 - HD3 LYS 61 OK 21 93 - 22 - 3.8/1801=3, 732/2.9=3...(7) H ASN 52 - HD2 LYS 94 OK 20 97 - 21 - 3884/2.9=5, 3864/3.4=4...(6) H ASN 52 - HD3 LYS 94 OK 20 97 - 21 - 3884/2.9=5, 3864/3.4=4...(6) H LYS 35 - HD2 LYS 44 OK 19 94 - 21 - 3.8/1801=3, 732/3.0=3...(7) H LYS 35 - HD3 LYS 44 OK 19 93 - 21 - 3.8/1801=3, 732/3.0=3...(7) H LYS 94 - HD2 LYS 44 OK 19 97 - 19 - 3.0/3905=2, 1037=2...(11) H LYS 94 - HD3 LYS 44 OK 19 97 - 19 - 3.0/3895=2, 1037=2...(11) H GLY 64 - HD2 LYS 61 OK 16 67 - 23 - 3.6/2893=3, 5983/4.8=3...(7) H GLY 64 - HD3 LYS 61 OK 16 67 - 23 - 3.6/2893=3, 5983/4.8=3...(7) H LYS 94 - HD3 LYS 45 OK 13 60 - 21 - 1034/2.9=2, 3.0/3850=2...(13) H LYS 35 - HD3 LYS 63 OK 12 88 - 13 - 124/5.9=4, 731=1, 4261/3.9=1 H LYS 35 - HG12 ILE 27 poor 9 66 - 14 - ~4954=3, 4.3/5203=2...(5) H ASN 52 - HD3 LYS 63 lone 8 85 - 9 - 5770/5.0=2, 233/3.0=1, 233/3.0=1 H ASN 52 - HD3 LYS 61 lone 6 91 - 7 - H ASN 52 - HD2 LYS 61 lone 6 91 - 7 - H LYS 94 - HG12 ILE 27 lone 6 70 - 9 - 433/5734=1, 6855/5746=1 H GLY 64 - HD2 LYS 44 lone 6 68 - 8 - H GLY 64 - HD3 LYS 44 lone 6 67 - 8 - H ASN 52 - HD2 LYS 44 lone 5 92 - 5 - H GLY 64 - HD3 LYS 45 poor 5 37 - 13 - 4.7/2913=2, 4.7/2903=2...(4) H ASN 52 - HD3 LYS 44 lone 5 91 - 5 - H GLY 64 - HG12 ILE 27 lone 4 44 - 10 - 5989/1.8=2, ~5984=2, ~5988=1 H GLY 64 - HD2 LYS 77 poor 4 34 - 11 - 4.7/2903=2, 3.6/2893=2...(5) H LYS 35 - HD3 LYS 45 lone 3 56 - 4 - H ASN 52 - HD3 LYS 45 lone 2 54 - 4 - H LYS 94 - HD2 LYS 77 lone 2 56 - 4 - 6857/3.7=1 H LYS 35 - HD2 LYS 77 lone 1 52 - 3 - H ASN 52 - HD2 LYS 77 lone 1 51 - 2 - Peak 3905 from cnoeabs.peaks (5.19, 1.68, 28.61 ppm; 4.09 A): 2 out of 20 assignments used, quality = 1.00: HA LYS 94 + HD2 LYS 94 OK 97 100 - 97 - 4.7=66, 3875/2.9=19...(48) * HA LYS 94 + HD3 LYS 94 OK 97 100 - 97 - 4.7=66, 3875/2.9=19...(48) HA LYS 94 - HD3 LYS 63 OK 38 92 - 42 - 3851=4, 3849/3.0=4...(19) HA LYS 94 - HD2 LYS 61 OK 35 97 - 37 - 3850=4, 3851/1.8=3...(15) HA LYS 94 - HD3 LYS 61 OK 35 97 - 37 - 3850=4, 3851/1.8=3...(15) HA ILE 16 - HG12 ILE 27 OK 20 68 - 29 - ~4097=5, 4579/2.1=4...(11) HA LYS 94 - HD3 LYS 45 OK 18 60 - 30 - 3848/2.9=3, 3850=2...(16) HA LYS 94 - HD2 LYS 44 OK 17 97 - 17 - 3851=2, 3.0/3870=1, 3850/1.8=1 HA LYS 94 - HD3 LYS 44 OK 17 97 - 17 - 3850=2, 3.0/3871=1, 3850/1.8=1 HA ILE 16 - HD3 LYS 94 lone 9 99 - 9 - 3875/2.9=2 HA ILE 16 - HD2 LYS 94 lone 9 99 - 9 - 3875/2.9=2 HA ILE 16 - HD3 LYS 63 lone 5 90 - 5 - ~4589=1, ~4577=1 HA ILE 16 - HD2 LYS 44 lone 5 96 - 5 - HA ILE 16 - HD3 LYS 44 lone 5 95 - 5 - HA ILE 16 - HD2 LYS 61 lone 4 95 - 4 - HA ILE 16 - HD3 LYS 61 lone 4 95 - 4 - HA LYS 94 - HG12 ILE 27 lone 3 70 - 4 - HA ILE 16 - HD2 LYS 77 lone 1 54 - 2 - HA LYS 94 - HD2 LYS 77 lone 1 56 - 2 - HA ILE 16 - HD3 LYS 45 lone 1 58 - 1 - Peak 3906 from cnoeabs.peaks (1.82, 1.68, 28.61 ppm; 3.24 A): 4 out of 90 assignments used, quality = 1.00: HB2 LYS 94 + HD2 LYS 94 OK 97 100 - 97 - 3.4=83, 3858/2.9=16...(43) * HB2 LYS 94 + HD3 LYS 94 OK 97 100 - 97 - 3.4=83, 3858/2.9=16...(43) HB2 LYS 61 + HD2 LYS 61 OK 70 84 - 82 - 3.9=58, 2772/2.9=5...(37) HB2 LYS 61 + HD3 LYS 61 OK 70 84 - 82 - 3.9=58, 2772/2.9=5...(37) HB2 LYS 94 - HD2 LYS 61 OK 28 97 - 29 - 1.8/3871=2, 3.0/3895=2...(7) HB2 LYS 94 - HD3 LYS 61 OK 28 97 - 29 - 1.8/3871=2, 3.0/3895=2...(7) HB2 LYS 94 - HD3 LYS 63 OK 28 92 - 30 - 1.8/3870=3, 3863/3.0=2...(14) HG LEU 62 - HD3 LYS 61 OK 16 91 - 18 - 5.0/4251=3, ~5958=2...(8) HG LEU 62 - HD2 LYS 61 OK 16 91 - 18 - 5.0/4251=3, ~5958=2...(8) HB2 LYS 94 - HD2 LYS 44 OK 15 97 - 16 - 1.8/3871=1 HB2 LYS 94 - HD3 LYS 44 OK 15 97 - 16 - 1.8/3871=1 HB2 LYS 94 - HD3 LYS 45 OK 15 60 - 25 - 3858/2.9=3, 1.8/3870=2...(5) HB2 LYS 61 - HD2 LYS 44 OK 14 85 - 17 - 2772/3.0=2, 2772/3.0=2, ~2782=1 HB2 LYS 61 - HD3 LYS 44 OK 14 84 - 17 - 2772/3.0=2, 2772/3.0=2, ~2782=1 HB2 GLN 48 - HG12 ILE 27 OK 14 57 - 24 - ~5613=6, ~4984=4...(8) HB2 LYS 61 - HD3 LYS 63 OK 13 78 - 17 - 4.4/4251=2, 285/5.9=1, 3.6/869=1 HB ILE 93 - HD3 LYS 94 OK 12 93 - 13 - 4377/6.1=4, ~3831=1 HB ILE 93 - HD2 LYS 94 OK 12 93 - 13 - 4377/6.1=4, ~3831=1 HB2 LYS 61 - HD2 LYS 94 poor 10 90 - 10 - HB2 LYS 61 - HD3 LYS 94 poor 10 90 - 10 - HG LEU 62 - HD2 LYS 94 lone 9 97 - 10 - HG LEU 62 - HD3 LYS 94 lone 9 97 - 10 - HG LEU 62 - HD3 LYS 63 poor 9 85 - 10 - 4257/5.9=3, 5.0/4251=1...(4) HB3 GLU 65 - HD3 LYS 94 lone 7 100 - 8 - ~7114=2, ~6866=1, ~6865=1 HB3 GLU 65 - HD2 LYS 94 lone 7 100 - 8 - ~7114=2, ~6866=1, ~6865=1 HB ILE 39 - HD2 LYS 94 lone 5 100 - 5 - HB ILE 39 - HD3 LYS 94 lone 5 100 - 5 - HB ILE 39 - HD3 LYS 61 lone 5 97 - 5 - HB ILE 39 - HD2 LYS 61 lone 5 97 - 5 - HB ILE 93 - HG12 ILE 27 lone 4 60 - 6 - ~4979=1, ~6853=1, ~4967=1 HB2 LYS 61 - HD3 LYS 45 lone 4 48 - 8 - HB ILE 39 - HD2 LYS 44 lone 4 97 - 4 - HB ILE 39 - HD3 LYS 44 lone 4 97 - 4 - HB3 GLU 65 - HG12 ILE 27 lone 3 70 - 4 - ~5999=1 HB3 GLU 65 - HD3 LYS 63 lone 2 92 - 3 - HG LEU 62 - HD2 LYS 44 lone 2 92 - 3 - HG LEU 62 - HD3 LYS 44 lone 2 91 - 3 - HB ILE 93 - HD3 LYS 63 lone 2 81 - 3 - HG LEU 62 - HD3 LYS 45 lone 2 54 - 4 - HB2 PRO 74 - HG12 ILE 27 lone 2 59 - 3 - ~4985=1 HB ILE 93 - HD2 LYS 61 lone 2 88 - 2 - HB ILE 93 - HD3 LYS 61 lone 2 88 - 2 - HB2 PRO 74 - HD2 LYS 77 lone 2 47 - 4 - ~6332=3 HB2 LYS 94 - HG12 ILE 27 lone 2 70 - 2 - HB2 PRO 74 - HD3 LYS 94 lone 2 92 - 2 - HB2 PRO 74 - HD2 LYS 94 lone 2 92 - 2 - HB ILE 39 - HD2 LYS 77 lone 2 56 - 3 - HB ILE 39 - HD3 LYS 63 lone 1 92 - 2 - HB3 GLU 65 - HD2 LYS 61 lone 1 97 - 1 - HB3 GLU 65 - HD3 LYS 61 lone 1 97 - 1 - HB ILE 39 - HD3 LYS 45 lone 1 60 - 2 - HB ILE 93 - HD2 LYS 44 lone 1 88 - 1 - HB ILE 93 - HD3 LYS 44 lone 1 87 - 1 - HB3 GLU 65 - HD2 LYS 44 lone 1 97 - 1 - HB3 GLU 65 - HD3 LYS 44 lone 1 96 - 1 - HB2 PRO 74 - HD3 LYS 63 lone 1 80 - 1 - HB2 GLN 48 - HD2 LYS 94 lone 1 90 - 1 - HB2 GLN 48 - HD3 LYS 94 lone 1 90 - 1 - HB2 PRO 74 - HD2 LYS 61 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 61 lone 1 86 - 1 - HB2 LYS 94 - HD2 LYS 77 lone 1 56 - 2 - HG2 GLU 87 - HD2 LYS 94 lone 1 78 - 1 - HG2 GLU 87 - HD3 LYS 94 lone 1 78 - 1 - HG2 GLU 87 - HG12 ILE 27 lone 1 47 - 2 - HG2 GLU 87 - HD3 LYS 61 lone 1 72 - 1 - HG2 GLU 87 - HD2 LYS 61 lone 1 72 - 1 - HB ILE 39 - HG12 ILE 27 lone 1 70 - 1 - HB2 PRO 74 - HD2 LYS 44 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 44 lone 1 86 - 1 - HB2 PRO 74 - HD3 LYS 45 lone 1 50 - 2 - HB2 GLN 48 - HD3 LYS 63 lone 1 78 - 1 - HB3 GLU 65 - HD2 LYS 77 lone 1 56 - 1 - HB2 GLN 48 - HD3 LYS 61 lone 1 84 - 1 - HB2 GLN 48 - HD2 LYS 61 lone 1 84 - 1 - HG2 GLU 87 - HD3 LYS 63 lone 1 66 - 1 - HG LEU 62 - HD2 LYS 77 lone 1 51 - 1 - HB3 GLU 65 - HD3 LYS 45 lone 1 59 - 1 - HB2 LYS 61 - HD2 LYS 77 lone 1 45 - 1 - HG2 GLU 87 - HD2 LYS 44 lone 1 73 - 1 - HG2 GLU 87 - HD3 LYS 44 lone 1 72 - 1 - HB ILE 93 - HD3 LYS 45 lone 1 51 - 1 - HB2 GLN 48 - HD2 LYS 44 lone 0 85 - 1 - HB2 GLN 48 - HD3 LYS 44 lone 0 84 - 1 - HB2 LYS 61 - HG12 ILE 27 lone 0 57 - 1 - HG LEU 62 - HG12 ILE 27 lone 0 64 - 1 - HB ILE 93 - HD2 LYS 77 lone 0 48 - 1 - HB2 GLN 48 - HD3 LYS 45 lone 0 48 - 1 - HG2 GLU 87 - HD3 LYS 45 lone 0 40 - 1 - HG2 GLU 87 - HD2 LYS 77 lone 0 37 - 1 - HB2 GLN 48 - HD2 LYS 77 lone 0 45 - 0 - Peak 3907 from cnoeabs.peaks (1.54, 1.68, 28.61 ppm; 2.44 A): 5 out of 100 assignments used, quality = 0.99: HB3 LYS 94 + HD2 LYS 94 OK 72 100 - 72 - 3.4=35, 3887/2.9=12...(29) * HB3 LYS 94 + HD3 LYS 94 OK 72 100 - 72 - 3.4=35, 3887/2.9=12...(29) HG3 LYS 44 + HD2 LYS 44 OK 61 83 - 73 - 3.0=56, 1.8/2198=8...(14) HG3 LYS 44 + HD3 LYS 44 OK 60 82 - 73 - 3.0=56, 1.8/2198=8...(14) HB3 LYS 63 + HD3 LYS 63 OK 54 88 - 61 - 3.9=24, 2912/1.8=9...(22) HG2 LYS 45 - HD3 LYS 45 OK 29 40 - 73 - 2.9=58, 2284/1.8=6...(19) HB3 LYS 63 - HD3 LYS 94 OK 22 99 - 22 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 63 - HD2 LYS 94 OK 22 99 - 22 - 3887/2.9=2, 1.8/2903=2...(8) HB3 LYS 94 - HD3 LYS 63 OK 16 92 - 18 - 3870=2, 2.9/3891=1 HB3 LYS 94 - HD3 LYS 61 OK 14 97 - 14 - 3870=1, 3870/1.8=1 HB3 LYS 94 - HD2 LYS 61 OK 14 97 - 14 - 3870=1, 3870/1.8=1 HB3 PRO 49 - HG12 ILE 27 OK 14 40 - 34 - 4965/3.2=4, ~4951=4...(14) HB3 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 1.8/2903=1, 2913=1, 2913/1.8=1 HB3 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 1.8/2903=1, 2913=1, 2913/1.8=1 HG3 LYS 44 - HD3 LYS 61 OK 12 83 - 15 - 1.8/2198=2, 2207=2, 2207/1.8=1 HG3 LYS 44 - HD2 LYS 61 OK 12 83 - 15 - 1.8/2198=2, 2207=2, 2207/1.8=1 HB3 LEU 62 - HD3 LYS 61 poor 9 91 - 10 - 3.6/277=2 HB3 LEU 62 - HD2 LYS 61 poor 9 91 - 10 - 3.6/277=2 HD2 LYS 86 - HD2 LYS 94 lone 7 100 - 7 - 3606/2.9=2, 3887/2.9=1 HD2 LYS 86 - HD3 LYS 94 lone 7 100 - 7 - 3606/2.9=2, 3887/2.9=1 HB3 LYS 94 - HD3 LYS 45 poor 7 60 - 12 - 3868/2.9=1 HB3 LYS 94 - HD2 LYS 44 lone 7 97 - 7 - HB3 LYS 94 - HD3 LYS 44 lone 7 97 - 7 - HB3 LEU 62 - HD3 LYS 63 lone 7 85 - 8 - 5950/5.0=2, 4256/5.9=2 HB3 LEU 62 - HD3 LYS 94 lone 6 97 - 7 - HB3 LEU 62 - HD2 LYS 94 lone 6 97 - 7 - HG2 LYS 45 - HD2 LYS 94 lone 6 78 - 7 - HG2 LYS 45 - HD3 LYS 94 lone 6 78 - 7 - HG2 LYS 45 - HD2 LYS 44 lone 6 73 - 8 - HG3 LYS 44 - HD3 LYS 94 lone 6 89 - 6 - HG3 LYS 44 - HD2 LYS 94 lone 6 89 - 6 - HG2 LYS 45 - HD3 LYS 44 lone 6 72 - 8 - HG13 ILE 93 - HD3 LYS 94 lone 5 90 - 6 - HG13 ILE 93 - HD2 LYS 94 lone 5 90 - 6 - HG2 LYS 45 - HD2 LYS 61 lone 5 72 - 7 - HG2 LYS 45 - HD3 LYS 61 lone 5 72 - 7 - HG3 LYS 44 - HD3 LYS 45 poor 5 47 - 11 - 192/6.3=2, 1.8/2199=1 HB3 LYS 63 - HD2 LYS 77 lone 5 53 - 9 - 2912/3.0=2, 2912/3.0=2...(4) HB3 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HB3 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HB3 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HD2 LYS 86 - HD3 LYS 63 lone 2 90 - 3 - HG3 LYS 44 - HG12 ILE 27 lone 2 56 - 4 - HD2 LYS 86 - HD2 LYS 61 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 61 lone 2 96 - 2 - HB3 PRO 49 - HD2 LYS 94 lone 2 68 - 2 - HB3 PRO 49 - HD3 LYS 94 lone 2 68 - 2 - HD2 LYS 86 - HD2 LYS 44 lone 2 96 - 2 - HD2 LYS 86 - HD3 LYS 44 lone 2 96 - 2 - HG3 LYS 41 - HD2 LYS 61 lone 2 55 - 3 - HG3 LYS 41 - HD3 LYS 61 lone 2 55 - 3 - HG2 LYS 45 - HD3 LYS 63 lone 2 66 - 2 - HB3 PRO 49 - HD2 LYS 44 lone 2 63 - 3 - HB3 PRO 49 - HD3 LYS 44 lone 2 62 - 3 - HG3 LYS 41 - HD2 LYS 94 lone 2 60 - 2 - HG3 LYS 41 - HD3 LYS 94 lone 2 60 - 2 - HG13 ILE 93 - HG12 ILE 27 lone 2 57 - 3 - HB3 PRO 49 - HD3 LYS 63 lone 1 57 - 3 - HB3 LEU 62 - HD2 LYS 44 lone 1 92 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 91 - 1 - HD2 LYS 86 - HG12 ILE 27 lone 1 69 - 2 - HG3 LYS 44 - HD3 LYS 63 lone 1 76 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 54 - 2 - HB3 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - HG3 LYS 41 - HD2 LYS 44 lone 1 55 - 1 - HG3 LYS 41 - HD3 LYS 44 lone 1 55 - 1 - HG3 LYS 41 - HD3 LYS 45 lone 1 29 - 3 - HG13 ILE 93 - HD3 LYS 63 lone 1 78 - 1 - HB3 GLU 87 - HG12 ILE 27 lone 1 47 - 2 - HD2 LYS 86 - HD3 LYS 45 lone 1 58 - 1 - HB3 GLU 87 - HD2 LYS 94 lone 1 78 - 1 - HB3 GLU 87 - HD3 LYS 94 lone 1 78 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 1 84 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 1 84 - 1 - HG3 LYS 44 - HD2 LYS 77 lone 1 44 - 1 - HB3 PRO 49 - HD2 LYS 61 lone 0 62 - 1 - HB3 PRO 49 - HD3 LYS 61 lone 0 62 - 1 - HB3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HG13 ILE 93 - HD2 LYS 44 lone 0 85 - 0 - HG13 ILE 93 - HD3 LYS 44 lone 0 84 - 0 - HB3 LEU 62 - HD2 LYS 77 lone 0 51 - 1 - HB3 GLU 87 - HD2 LYS 61 lone 0 72 - 1 - HB3 GLU 87 - HD3 LYS 61 lone 0 72 - 1 - HB3 LYS 63 - HG12 ILE 27 lone 0 67 - 1 - HG3 LYS 41 - HG12 ILE 27 lone 0 35 - 1 - HB3 LEU 62 - HG12 ILE 27 lone 0 64 - 0 - HB3 GLU 87 - HD2 LYS 44 lone 0 73 - 0 - HB3 GLU 87 - HD3 LYS 44 lone 0 72 - 0 - HB3 PRO 49 - HD3 LYS 45 lone 0 34 - 1 - HG3 LYS 41 - HD3 LYS 63 lone 0 50 - 0 - HB3 GLU 87 - HD3 LYS 63 lone 0 66 - 0 - HG2 LYS 45 - HG12 ILE 27 lone 0 47 - 0 - HG2 LYS 45 - HD2 LYS 77 lone 0 37 - 1 - HG13 ILE 93 - HD3 LYS 45 lone 0 48 - 0 - HD2 LYS 86 - HD2 LYS 77 lone 0 55 - 0 - HG3 LYS 41 - HD2 LYS 77 lone 0 27 - 1 - HB3 PRO 49 - HD2 LYS 77 lone 0 31 - 0 - HB3 GLU 87 - HD3 LYS 45 lone 0 40 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 45 - 0 - HB3 GLU 87 - HD2 LYS 77 lone 0 37 - 0 - Peak 3908 from cnoeabs.peaks (1.51, 1.68, 28.61 ppm; 2.53 A): 2 out of 80 assignments used, quality = 0.98: HG2 LYS 94 + HD2 LYS 94 OK 85 100 - 85 - 2.9=66, 1.8/3891=8...(20) * HG2 LYS 94 + HD3 LYS 94 OK 85 100 - 85 - 2.9=66, 1.8/3891=8...(20) HG2 LYS 45 - HD3 LYS 45 OK 44 56 - 80 - 2.9=65, 2284/1.8=9...(22) HB3 LYS 63 - HD3 LYS 63 OK 40 64 - 62 - 3.9=27, 2912/1.8=7...(22) HG LEU 53 - HG12 ILE 27 OK 31 67 - 45 - ~4980=7, ~4975=7...(14) HB3 LYS 63 - HD2 LYS 94 OK 17 76 - 22 - 1.8/2903=2, 3868/3.4=1...(7) HB3 LYS 63 - HD3 LYS 94 OK 17 76 - 22 - 1.8/2903=2, 3868/3.4=1...(7) HG2 LYS 94 - HD3 LYS 63 OK 16 92 - 18 - 3880=2, 1.8/3890=2...(6) HG2 LYS 94 - HD3 LYS 61 OK 14 97 - 15 - 3880=2, 1.8/3890=1...(4) HG2 LYS 94 - HD2 LYS 61 OK 14 97 - 15 - 3880=2, 1.8/3890=1...(4) HG2 LYS 45 - HD3 LYS 94 OK 10 98 - 10 - 3858/3.4=1, 3868/3.4=1 HG2 LYS 45 - HD2 LYS 94 OK 10 98 - 10 - 3858/3.4=1, 3868/3.4=1 HB3 LYS 63 - HD2 LYS 61 poor 9 70 - 13 - 1.8/2903=1 HB3 LYS 63 - HD3 LYS 61 poor 9 70 - 13 - 1.8/2903=1 HG2 LYS 45 - HD2 LYS 44 lone 9 94 - 10 - 2088/3.0=1 HG2 LYS 45 - HD3 LYS 44 lone 9 93 - 10 - 2088/3.0=1, 2284=1 HG13 ILE 93 - HD3 LYS 94 lone 9 92 - 9 - 3875/4.7=2, 3868/3.4=1 HG13 ILE 93 - HD2 LYS 94 lone 9 92 - 9 - 3875/4.7=2, 3868/3.4=1 HB3 LEU 62 - HD2 LYS 61 poor 8 77 - 11 - 3.6/277=2 HB3 LEU 62 - HD3 LYS 61 poor 8 77 - 11 - 3.6/277=2 HG2 LYS 94 - HD2 LYS 44 lone 8 97 - 8 - 3881=1 HG2 LYS 94 - HD3 LYS 44 lone 8 97 - 8 - 3880=1 HG2 LYS 45 - HD2 LYS 61 lone 8 93 - 9 - HG2 LYS 45 - HD3 LYS 61 lone 8 93 - 9 - HG2 LYS 94 - HD3 LYS 45 poor 7 60 - 12 - 3880=1 HB3 LEU 62 - HD3 LYS 94 lone 6 83 - 7 - HB3 LEU 62 - HD2 LYS 94 lone 6 83 - 7 - HG2 LYS 86 - HD2 LYS 94 lone 6 97 - 6 - 3588/3.4=2 HG2 LYS 86 - HD3 LYS 94 lone 6 97 - 6 - 3588/3.4=2 HB3 LEU 62 - HD3 LYS 63 lone 6 71 - 8 - 5950/5.0=2, 4256/5.9=2 HG3 LYS 41 - HD3 LYS 61 lone 4 97 - 4 - HG3 LYS 41 - HD2 LYS 61 lone 4 97 - 4 - HG3 LYS 41 - HD2 LYS 94 lone 4 100 - 4 - HG3 LYS 41 - HD3 LYS 94 lone 4 100 - 4 - HB3 LYS 63 - HD3 LYS 45 lone 3 38 - 8 - HB3 LYS 63 - HD2 LYS 77 lone 3 36 - 9 - 2912/3.0=1, 2912/3.0=1...(4) HG2 LYS 45 - HD3 LYS 63 lone 2 88 - 3 - HG LEU 53 - HD3 LYS 94 lone 2 99 - 2 - HG LEU 53 - HD2 LYS 94 lone 2 99 - 2 - HB3 LYS 63 - HD2 LYS 44 lone 2 70 - 3 - HG3 LYS 41 - HD3 LYS 45 lone 2 59 - 4 - HB3 LYS 63 - HD3 LYS 44 lone 2 70 - 3 - HG3 LYS 41 - HD2 LYS 44 lone 2 97 - 2 - HG3 LYS 41 - HD3 LYS 44 lone 2 96 - 2 - HG2 LYS 86 - HD3 LYS 63 lone 2 85 - 2 - HG13 ILE 93 - HG12 ILE 27 lone 2 59 - 3 - HG2 LYS 86 - HD2 LYS 61 lone 1 91 - 1 - HG2 LYS 86 - HD3 LYS 61 lone 1 91 - 1 - HG2 LYS 86 - HD2 LYS 44 lone 1 92 - 1 - HG2 LYS 86 - HD3 LYS 44 lone 1 91 - 1 - HB3 LEU 62 - HD2 LYS 44 lone 1 77 - 1 - HB3 LEU 62 - HD3 LYS 44 lone 1 76 - 1 - HG13 ILE 93 - HD3 LYS 63 lone 1 80 - 1 - HG2 LYS 86 - HG12 ILE 27 lone 1 64 - 2 - HG3 LYS 41 - HG12 ILE 27 lone 1 70 - 1 - HB3 LEU 62 - HD3 LYS 45 lone 1 43 - 2 - HG2 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - HG13 ILE 93 - HD2 LYS 61 lone 1 86 - 1 - HG13 ILE 93 - HD3 LYS 61 lone 1 86 - 1 - HG13 ILE 93 - HD2 LYS 44 lone 1 86 - 1 - HG13 ILE 93 - HD3 LYS 44 lone 1 86 - 1 - HG LEU 53 - HD2 LYS 61 lone 1 95 - 1 - HG LEU 53 - HD3 LYS 61 lone 1 95 - 1 - HG3 LYS 41 - HD3 LYS 63 lone 1 92 - 1 - HG2 LYS 86 - HD3 LYS 45 lone 1 54 - 1 - HG LEU 53 - HD3 LYS 63 lone 0 89 - 0 - HG LEU 53 - HD2 LYS 44 lone 0 95 - 0 - HG LEU 53 - HD3 LYS 44 lone 0 95 - 0 - HG LEU 53 - HD2 LYS 77 lone 0 54 - 1 - HG2 LYS 45 - HG12 ILE 27 lone 0 66 - 1 - HG2 LYS 45 - HD2 LYS 77 lone 0 52 - 1 - HG3 LYS 41 - HD2 LYS 77 lone 0 56 - 1 - HG13 ILE 93 - HD3 LYS 45 lone 0 50 - 1 - HB3 LEU 62 - HD2 LYS 77 lone 0 40 - 1 - HG2 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HB3 LYS 63 - HG12 ILE 27 lone 0 46 - 1 - HG LEU 53 - HD3 LYS 45 lone 0 57 - 0 - HB3 LEU 62 - HG12 ILE 27 lone 0 51 - 0 - HG2 LYS 86 - HD2 LYS 77 lone 0 51 - 0 - HG13 ILE 93 - HD2 LYS 77 lone 0 47 - 0 - Peak 3909 from cnoeabs.peaks (1.44, 1.68, 28.61 ppm; 2.48 A): 8 out of 120 assignments used, quality = 1.00: HG3 LYS 94 + HD2 LYS 94 OK 81 100 - 81 - 2.9=62, 3887/3.4=10...(20) * HG3 LYS 94 + HD3 LYS 94 OK 81 100 - 81 - 2.9=62, 3887/3.4=10...(20) HG2 LYS 63 + HD3 LYS 63 OK 71 88 - 80 - 3.0=59, 2941/1.8=9...(14) HG3 LYS 63 + HD3 LYS 63 OK 71 88 - 80 - 3.0=59, 2941/1.8=9...(14) HG3 LYS 61 + HD3 LYS 61 OK 57 77 - 75 - 3.0=59, 1.8/2791=2...(20) HG3 LYS 61 + HD2 LYS 61 OK 57 77 - 75 - 3.0=59, 1.8/2791=2...(20) HG2 LYS 61 + HD2 LYS 61 OK 56 74 - 75 - 3.0=59, 1.8/2791=2...(22) HG2 LYS 61 + HD3 LYS 61 OK 56 74 - 75 - 3.0=59, 1.8/2791=2...(22) HG3 LYS 63 - HD2 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD2 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG2 LYS 63 - HD3 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HG3 LYS 63 - HD3 LYS 94 OK 23 99 - 23 - 2.9/2903=1, 2.9/2913=1, 2923=1 HB ILE 51 - HG12 ILE 27 OK 21 57 - 38 - 5748/3.2=7, 5748/2.1=7...(14) HG13 ILE 51 - HG12 ILE 27 OK 17 67 - 25 - 2.1/5746=3, ~5748=2...(16) HG3 LYS 94 - HD3 LYS 63 OK 15 92 - 16 - 3890=2, 2940/1.8=2...(5) HG3 LYS 94 - HD3 LYS 61 OK 13 97 - 13 - 3891=2, 3891/1.8=1, 1.8/3880=1 HG3 LYS 94 - HD2 LYS 61 OK 13 97 - 13 - 3891=2, 3891/1.8=1, 1.8/3880=1 HG2 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG2 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG3 LYS 63 - HD2 LYS 61 OK 12 94 - 13 - 2.9/2903=1 HG3 LYS 63 - HD3 LYS 61 OK 12 94 - 13 - 2.9/2903=1 QB ALA 31 - HG12 ILE 27 poor 10 47 - 21 - 7178/2.1=5, 5081/3.8=4...(7) HG3 LYS 61 - HD3 LYS 63 poor 9 71 - 13 - 2940/1.8=2 HG2 LYS 61 - HD3 LYS 63 poor 9 69 - 13 - 2941/1.8=2 HG3 LYS 61 - HD2 LYS 44 poor 8 77 - 11 - HG3 LYS 61 - HD3 LYS 44 poor 8 76 - 11 - HG2 LYS 61 - HD2 LYS 44 poor 8 75 - 11 - HG2 LYS 61 - HD3 LYS 44 poor 8 74 - 11 - HG3 LYS 94 - HD2 LYS 44 lone 8 97 - 8 - 3891=1 HG3 LYS 94 - HD3 LYS 44 lone 8 97 - 8 - 3890=1 QG2 THR 67 - HG12 ILE 27 poor 7 64 - 10 - 6092/1.8=3, 6101/2.1=2, ~6094=2 HG12 ILE 80 - HD2 LYS 77 poor 7 51 - 13 - ~6426=4, 6520/4.6=3...(6) HG3 LYS 94 - HD3 LYS 45 poor 6 60 - 11 - 3890=1 HG3 LYS 61 - HD3 LYS 94 lone 6 83 - 8 - HG3 LYS 61 - HD2 LYS 94 lone 6 83 - 8 - HG2 LYS 61 - HD3 LYS 94 lone 6 81 - 8 - HG2 LYS 61 - HD2 LYS 94 lone 6 81 - 8 - HD3 LYS 86 - HD2 LYS 94 lone 6 83 - 7 - 3616/2.9=1 HD3 LYS 86 - HD3 LYS 94 lone 6 83 - 7 - 3616/2.9=1 HG2 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HG3 LYS 63 - HD3 LYS 45 lone 5 57 - 8 - HG12 ILE 80 - HG12 ILE 27 lone 4 64 - 6 - 6503/2.1=1 HG13 ILE 51 - HD2 LYS 94 lone 4 99 - 4 - HG13 ILE 51 - HD3 LYS 94 lone 4 99 - 4 - HG2 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD2 LYS 44 lone 3 94 - 3 - HG2 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD3 LYS 44 lone 3 94 - 3 - HG3 LYS 63 - HD2 LYS 77 lone 3 53 - 6 - HG2 LYS 63 - HD2 LYS 77 lone 3 53 - 6 - HB ILE 51 - HD2 LYS 94 lone 3 90 - 4 - HB ILE 51 - HD3 LYS 94 lone 3 90 - 4 - HG13 ILE 51 - HD2 LYS 44 lone 2 94 - 3 - HG13 ILE 51 - HD3 LYS 44 lone 2 94 - 3 - HB ILE 51 - HD2 LYS 44 lone 2 85 - 3 - HB ILE 51 - HD3 LYS 44 lone 2 84 - 3 - QB ALA 31 - HD2 LYS 44 lone 2 73 - 3 - QB ALA 31 - HD3 LYS 44 lone 2 72 - 3 - HG3 LYS 61 - HD3 LYS 45 lone 2 43 - 5 - HB ILE 51 - HD3 LYS 63 lone 2 78 - 3 - QB ALA 31 - HD3 LYS 45 lone 2 40 - 5 - 5095/3.6=1, 5095/3.6=1 HG2 LYS 61 - HD3 LYS 45 lone 2 41 - 5 - HB2 LYS 41 - HD2 LYS 61 lone 2 57 - 3 - HB2 LYS 41 - HD3 LYS 61 lone 2 57 - 3 - HG13 ILE 51 - HD3 LYS 63 lone 2 88 - 2 - QB ALA 31 - HD3 LYS 94 lone 2 78 - 2 - QB ALA 31 - HD2 LYS 94 lone 2 78 - 2 - HD3 LYS 86 - HD2 LYS 61 lone 2 77 - 2 - HD3 LYS 86 - HD3 LYS 61 lone 2 77 - 2 - HB2 LYS 41 - HD2 LYS 94 lone 2 63 - 2 - HB2 LYS 41 - HD3 LYS 94 lone 2 63 - 2 - HD3 LYS 86 - HD3 LYS 63 lone 2 71 - 2 - HG12 ILE 80 - HD3 LYS 94 lone 1 97 - 1 - HG12 ILE 80 - HD2 LYS 94 lone 1 97 - 1 - HB2 LYS 41 - HD3 LYS 45 lone 1 30 - 5 - QG2 THR 67 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HD2 LYS 44 lone 1 77 - 2 - HD3 LYS 86 - HD3 LYS 44 lone 1 76 - 2 - HG13 ILE 51 - HD3 LYS 61 lone 1 94 - 1 - HG13 ILE 51 - HD2 LYS 61 lone 1 94 - 1 - HB ILE 51 - HD3 LYS 61 lone 1 84 - 1 - HB ILE 51 - HD2 LYS 61 lone 1 84 - 1 - QB ALA 31 - HD3 LYS 63 lone 1 66 - 2 - QB ALA 31 - HD3 LYS 61 lone 1 72 - 1 - QB ALA 31 - HD2 LYS 61 lone 1 72 - 1 - HG12 ILE 80 - HD3 LYS 63 lone 1 85 - 1 - HD3 LYS 86 - HG12 ILE 27 lone 1 51 - 2 - QG2 THR 67 - HD2 LYS 94 lone 1 97 - 1 - QG2 THR 67 - HD3 LYS 94 lone 1 97 - 1 - HG3 LYS 94 - HG12 ILE 27 lone 1 70 - 1 - QG2 THR 67 - HD2 LYS 61 lone 1 91 - 1 - QG2 THR 67 - HD3 LYS 61 lone 1 91 - 1 - HG12 ILE 80 - HD2 LYS 44 lone 1 92 - 1 - HB2 LYS 41 - HG12 ILE 27 lone 1 37 - 2 - HG12 ILE 80 - HD3 LYS 44 lone 1 91 - 1 - HB2 LYS 41 - HD2 LYS 44 lone 1 58 - 1 - HB2 LYS 41 - HD3 LYS 44 lone 1 57 - 1 - HG2 LYS 63 - HG12 ILE 27 lone 1 67 - 1 - HG3 LYS 63 - HG12 ILE 27 lone 1 67 - 1 - HG13 ILE 51 - HD2 LYS 77 lone 1 53 - 1 - HG12 ILE 80 - HD3 LYS 61 lone 0 91 - 1 - HG12 ILE 80 - HD2 LYS 61 lone 0 91 - 1 - QB ALA 31 - HD2 LYS 77 lone 1 37 - 1 - HD3 LYS 86 - HD3 LYS 45 lone 1 43 - 1 - QG2 THR 67 - HD2 LYS 44 lone 0 92 - 0 - QG2 THR 67 - HD3 LYS 44 lone 0 91 - 0 - HG3 LYS 61 - HD2 LYS 77 lone 0 40 - 1 - HG13 ILE 51 - HD3 LYS 45 lone 0 57 - 1 - HG2 LYS 61 - HD2 LYS 77 lone 0 39 - 1 - HG12 ILE 80 - HD3 LYS 45 lone 0 54 - 1 - HG3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HB ILE 51 - HD2 LYS 77 lone 0 45 - 1 - QG2 THR 67 - HD2 LYS 77 lone 0 51 - 1 - HB ILE 51 - HD3 LYS 45 lone 0 48 - 1 - HB2 LYS 41 - HD3 LYS 63 lone 0 52 - 0 - HG3 LYS 61 - HG12 ILE 27 lone 0 51 - 0 - HG2 LYS 61 - HG12 ILE 27 lone 0 49 - 0 - HB2 LYS 41 - HD2 LYS 77 lone 0 28 - 1 - HD3 LYS 86 - HD2 LYS 77 lone 0 40 - 0 - QG2 THR 67 - HD3 LYS 45 lone 0 54 - 0 - Peak 3910 from cnoeabs.peaks (1.68, 1.68, 28.61 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 97 97 - 100 HD3 LYS 61 + HD3 LYS 61 OK 96 96 - 100 HD2 LYS 61 + HD2 LYS 61 OK 96 96 - 100 HD3 LYS 44 + HD3 LYS 44 OK 96 96 - 100 HD3 LYS 63 + HD3 LYS 63 OK 91 91 - 100 HG12 ILE 27 + HG12 ILE 27 OK 53 53 - 100 HD3 LYS 45 - HD3 LYS 45 OK 37 37 - 100 HD2 LYS 77 - HD2 LYS 77 OK 33 33 - 100 Reference assignment not found: HD2 LYS 94 - HD3 LYS 94 Peak 3911 from cnoeabs.peaks (1.68, 1.68, 28.61 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 * HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 97 97 - 100 HD3 LYS 61 + HD3 LYS 61 OK 96 96 - 100 HD2 LYS 61 + HD2 LYS 61 OK 96 96 - 100 HD3 LYS 44 + HD3 LYS 44 OK 96 96 - 100 HD3 LYS 63 + HD3 LYS 63 OK 91 91 - 100 HG12 ILE 27 + HG12 ILE 27 OK 53 53 - 100 HD3 LYS 45 - HD3 LYS 45 OK 37 37 - 100 HD2 LYS 77 - HD2 LYS 77 OK 33 33 - 100 Peak 3912 from cnoeabs.peaks (2.98, 1.68, 28.61 ppm; 2.70 A): 8 out of 70 assignments used, quality = 1.00: HE3 LYS 94 + HD2 LYS 94 OK 86 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE3 LYS 94 + HD3 LYS 94 OK 86 100 - 87 - 3.0=76, 3.7/3891=5...(19) * HE2 LYS 94 + HD3 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3890=5...(19) HE2 LYS 94 + HD2 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3890=5...(19) HE3 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE2 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 61 + HD3 LYS 61 OK 60 70 - 85 - 2.9=78, 1.8/2830=3...(17) HE3 LYS 61 + HD2 LYS 61 OK 60 70 - 85 - 2.9=78, 1.8/2830=3...(17) HE2 LYS 45 - HD3 LYS 45 OK 43 51 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 43 51 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD2 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD3 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 12 91 - 14 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 12 92 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 63 - HD3 LYS 61 OK 12 97 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 12 97 - 12 - HE3 LYS 63 - HD2 LYS 61 OK 12 97 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 97 - 12 - HE2 LYS 45 - HD3 LYS 94 OK 11 93 - 12 - HE3 LYS 45 - HD2 LYS 94 OK 11 93 - 12 - HE3 LYS 45 - HD3 LYS 94 OK 11 93 - 12 - HE2 LYS 45 - HD2 LYS 94 OK 11 93 - 12 - HE3 LYS 61 - HD2 LYS 44 poor 8 70 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 8 70 - 11 - HE3 LYS 94 - HD2 LYS 61 lone 7 96 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 96 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 97 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 97 - 7 - HE3 LYS 61 - HD2 LYS 94 lone 7 76 - 9 - HE3 LYS 61 - HD3 LYS 94 lone 7 76 - 9 - HE3 LYS 45 - HD2 LYS 44 lone 7 88 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 7 88 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 7 87 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 7 87 - 8 - HE2 LYS 45 - HD3 LYS 61 lone 6 88 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 6 88 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 5 81 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 5 81 - 6 - HE2 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 4 96 - 4 - HE3 LYS 61 - HD3 LYS 63 lone 3 64 - 5 - HE3 LYS 94 - HD3 LYS 45 lone 3 59 - 6 - HE2 LYS 94 - HD3 LYS 45 lone 3 60 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 60 - 5 - HE2 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 97 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 38 - 5 - HE3 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE2 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 1 48 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 70 - 1 - HE3 LYS 94 - HG12 ILE 27 lone 0 69 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 36 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 55 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 60 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 46 - 0 - Peak 3913 from cnoeabs.peaks (2.97, 1.68, 28.61 ppm; 2.70 A): 8 out of 70 assignments used, quality = 1.00: HE3 LYS 94 + HD2 LYS 94 OK 87 100 - 87 - 3.0=76, 3.7/3891=5...(19) * HE3 LYS 94 + HD3 LYS 94 OK 87 100 - 87 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD3 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 94 + HD2 LYS 94 OK 86 100 - 86 - 3.0=76, 3.7/3891=5...(19) HE2 LYS 63 + HD3 LYS 63 OK 77 92 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 63 + HD3 LYS 63 OK 77 91 - 84 - 3.0=77, 2904/3.9=3...(11) HE3 LYS 61 + HD3 LYS 61 OK 51 60 - 85 - 2.9=78, 1.8/2831=3...(15) HE3 LYS 61 + HD2 LYS 61 OK 51 60 - 85 - 2.9=78, 1.8/2831=3...(15) HE2 LYS 45 - HD3 LYS 45 OK 38 46 - 84 - 3.0=74, 3.5/2284=4...(16) HE3 LYS 45 - HD3 LYS 45 OK 38 46 - 84 - 3.0=74, 3.5/2284=4...(16) HE2 LYS 63 - HD3 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE2 LYS 63 - HD2 LYS 94 OK 23 100 - 24 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD2 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 63 - HD3 LYS 94 OK 23 100 - 23 - 3863/3.4=1, 3873/3.4=1 HE3 LYS 94 - HD3 LYS 63 OK 12 92 - 13 - 2904/3.9=1, 2914/3.9=1 HE2 LYS 94 - HD3 LYS 63 OK 12 91 - 13 - 2904/3.9=1, 2914/3.9=1 HE3 LYS 63 - HD2 LYS 61 OK 12 96 - 12 - HE3 LYS 63 - HD3 LYS 61 OK 12 96 - 12 - HE2 LYS 63 - HD3 LYS 61 OK 11 97 - 12 - HE2 LYS 63 - HD2 LYS 61 OK 11 97 - 12 - HE3 LYS 45 - HD2 LYS 94 OK 10 87 - 12 - HE3 LYS 45 - HD3 LYS 94 OK 10 87 - 12 - HE2 LYS 45 - HD3 LYS 94 OK 10 87 - 12 - HE2 LYS 45 - HD2 LYS 94 OK 10 87 - 12 - HE3 LYS 94 - HD2 LYS 61 lone 7 97 - 7 - HE3 LYS 94 - HD3 LYS 61 lone 7 97 - 7 - HE2 LYS 94 - HD2 LYS 61 lone 7 96 - 7 - HE2 LYS 94 - HD3 LYS 61 lone 7 96 - 7 - HE3 LYS 61 - HD2 LYS 44 poor 6 60 - 11 - HE3 LYS 61 - HD3 LYS 44 poor 6 60 - 11 - HE3 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD2 LYS 44 lone 6 81 - 8 - HE2 LYS 45 - HD3 LYS 44 lone 6 80 - 8 - HE3 LYS 45 - HD3 LYS 44 lone 6 80 - 8 - HE3 LYS 61 - HD2 LYS 94 lone 6 65 - 9 - HE3 LYS 61 - HD3 LYS 94 lone 6 65 - 9 - HE2 LYS 45 - HD3 LYS 61 lone 5 81 - 6 - HE2 LYS 45 - HD2 LYS 61 lone 5 81 - 6 - HE3 LYS 45 - HD2 LYS 61 lone 5 81 - 6 - HE3 LYS 45 - HD3 LYS 61 lone 5 81 - 6 - HE2 LYS 45 - HD3 LYS 63 lone 4 75 - 6 - HE3 LYS 45 - HD3 LYS 63 lone 4 75 - 6 - HE3 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE3 LYS 94 - HD3 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD2 LYS 44 lone 4 97 - 4 - HE2 LYS 94 - HD3 LYS 44 lone 4 96 - 4 - HE3 LYS 94 - HD3 LYS 45 lone 3 60 - 5 - HE2 LYS 94 - HD3 LYS 45 lone 3 59 - 5 - HE3 LYS 61 - HD3 LYS 63 lone 3 55 - 5 - HE2 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE3 LYS 63 - HD3 LYS 45 lone 3 59 - 5 - HE2 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE3 LYS 63 - HD2 LYS 44 lone 2 97 - 2 - HE2 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 63 - HD3 LYS 44 lone 2 96 - 2 - HE3 LYS 61 - HD3 LYS 45 lone 2 32 - 5 - HE2 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 63 - HD2 LYS 77 lone 1 56 - 2 - HE3 LYS 94 - HG12 ILE 27 lone 0 70 - 1 - HE2 LYS 94 - HG12 ILE 27 lone 0 69 - 1 - HE2 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE3 LYS 45 - HD2 LYS 77 lone 0 43 - 1 - HE2 LYS 63 - HG12 ILE 27 lone 0 70 - 1 - HE3 LYS 63 - HG12 ILE 27 lone 0 69 - 1 - HE3 LYS 94 - HD2 LYS 77 lone 0 56 - 1 - HE2 LYS 94 - HD2 LYS 77 lone 0 55 - 1 - HE3 LYS 61 - HD2 LYS 77 lone 0 30 - 1 - HE2 LYS 45 - HG12 ILE 27 lone 0 54 - 0 - HE3 LYS 45 - HG12 ILE 27 lone 0 54 - 0 - HE3 LYS 61 - HG12 ILE 27 lone 0 38 - 0 - Peak 3916 from cnoeabs.peaks (1.82, 2.98, 41.60 ppm; 4.19 A): 4 out of 63 assignments used, quality = 1.00: * HB2 LYS 94 + HE2 LYS 94 OK 95 100 - 95 - 4.9=62, 3858/3.7=20...(54) HB2 LYS 94 + HE3 LYS 94 OK 95 100 - 95 - 4.9=62, 3858/3.7=20...(54) HB2 LYS 94 + HE2 LYS 63 OK 58 100 - 58 - 3863=6, 3863/1.8=5...(30) HB2 LYS 94 + HE3 LYS 63 OK 58 100 - 58 - 3863=6, 3863/1.8=5...(30) HB2 LYS 61 - HE3 LYS 61 OK 33 38 - 87 - 5.0=58, 2772/1.8=10...(43) HB2 LYS 94 - HE3 LYS 45 OK 29 74 - 39 - 3862=4, 3858/3.5=3...(12) HB2 LYS 94 - HE2 LYS 45 OK 29 74 - 39 - 3862=4, 3858/3.5=3...(12) HB2 LYS 61 - HE3 LYS 63 OK 27 90 - 30 - 2773/1.8=2, 2773=2...(8) HB2 LYS 61 - HE2 LYS 63 OK 27 89 - 30 - 2773/1.8=2, ~2783=2...(7) HB2 LYS 94 - HE3 LYS 61 OK 15 47 - 32 - 3862=3, 1.8/3872=2...(12) HB2 LYS 61 - HE3 LYS 94 OK 13 89 - 14 - 2773/1.8=1 HG LEU 62 - HE3 LYS 63 OK 12 96 - 13 - 4257/6.9=4, ~5957=1, ~5955=1 HG LEU 62 - HE2 LYS 63 OK 12 96 - 13 - 4257/6.9=4, ~5957=1, ~5955=1 HB2 LYS 61 - HE2 LYS 94 OK 12 90 - 13 - HB ILE 93 - HE2 LYS 94 OK 11 93 - 11 - 4377/7.2=5, ~6854=1 HB ILE 93 - HE3 LYS 94 OK 10 92 - 11 - 4377/7.2=5, ~6854=1 HB2 LYS 61 - HE2 LYS 45 poor 10 61 - 16 - 2773/1.8=2, 2773=1...(4) HB2 LYS 61 - HE3 LYS 45 poor 10 61 - 16 - 2773/1.8=2, 2773=1...(4) HG LEU 62 - HE2 LYS 94 lone 7 97 - 7 - ~5957=1 HG LEU 62 - HE3 LYS 94 lone 7 96 - 7 - ~5957=1 HG LEU 62 - HE3 LYS 61 poor 4 43 - 10 - ~5957=2, ~5955=2 HB3 GLU 65 - HE3 LYS 94 lone 4 100 - 4 - ~6018=1 HB3 GLU 65 - HE2 LYS 94 lone 4 100 - 4 - ~6018=1 HB ILE 93 - HE3 LYS 63 lone 3 93 - 3 - 285/6.9=1 HB ILE 93 - HE2 LYS 63 lone 3 92 - 3 - 285/6.9=1 HB ILE 39 - HE3 LYS 94 lone 3 100 - 3 - HB ILE 39 - HE2 LYS 94 lone 3 100 - 3 - HB3 GLU 65 - HE2 LYS 63 lone 3 100 - 3 - HB3 GLU 65 - HE3 LYS 63 lone 3 100 - 3 - HG LEU 62 - HE3 LYS 45 lone 2 68 - 3 - HG LEU 62 - HE2 LYS 45 lone 2 68 - 3 - HB ILE 39 - HE2 LYS 63 lone 1 100 - 1 - HB ILE 39 - HE3 LYS 63 lone 1 100 - 1 - HB ILE 39 - HE3 LYS 61 lone 1 47 - 3 - HB2 PRO 74 - HE3 LYS 63 lone 1 91 - 1 - HB2 PRO 74 - HE2 LYS 63 lone 1 91 - 1 - HB2 GLN 48 - HE2 LYS 94 lone 1 90 - 1 - HB2 GLN 48 - HE3 LYS 94 lone 1 89 - 1 - HG2 GLU 87 - HE2 LYS 94 lone 1 78 - 2 - HG2 GLU 87 - HE3 LYS 94 lone 1 77 - 2 - HB2 GLN 48 - HE3 LYS 63 lone 1 90 - 1 - HB2 GLN 48 - HE2 LYS 63 lone 1 89 - 1 - HB2 PRO 74 - HE2 LYS 94 lone 1 92 - 1 - HG2 GLU 87 - HE3 LYS 63 lone 1 78 - 1 - HG2 GLU 87 - HE2 LYS 63 lone 1 77 - 1 - HB2 PRO 74 - HE3 LYS 94 lone 1 91 - 1 - HB ILE 39 - HE3 LYS 45 lone 1 74 - 1 - HB ILE 39 - HE2 LYS 45 lone 1 74 - 1 - HB3 GLU 65 - HE3 LYS 45 lone 1 74 - 1 - HB3 GLU 65 - HE2 LYS 45 lone 1 74 - 1 - HB ILE 93 - HE3 LYS 45 lone 1 64 - 1 - HB ILE 93 - HE2 LYS 45 lone 1 64 - 1 - HB ILE 93 - HE3 LYS 61 lone 1 40 - 2 - HB2 PRO 74 - HE2 LYS 45 lone 1 62 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 1 62 - 1 - HB3 GLU 65 - HE3 LYS 61 lone 1 47 - 1 - HB2 GLN 48 - HE2 LYS 45 lone 1 61 - 1 - HB2 GLN 48 - HE3 LYS 45 lone 1 61 - 1 - HG2 GLU 87 - HE2 LYS 45 lone 1 51 - 1 - HG2 GLU 87 - HE3 LYS 45 lone 1 51 - 1 - HB2 PRO 74 - HE3 LYS 61 lone 1 39 - 1 - HG2 GLU 87 - HE3 LYS 61 lone 1 31 - 2 - HB2 GLN 48 - HE3 LYS 61 lone 0 38 - 1 - Peak 3917 from cnoeabs.peaks (1.54, 2.98, 41.60 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.76: HG2 LYS 45 + HE3 LYS 45 OK 51 51 - 100 - 3.5=100 HG2 LYS 45 + HE2 LYS 45 OK 51 51 - 100 - 3.5=100 Reference assignment not found: HB3 LYS 94 - HE2 LYS 94 Peak 3918 from cnoeabs.peaks (1.51, 2.98, 41.60 ppm; 3.93 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.7=100 HG2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.7=100 HG2 LYS 45 + HE2 LYS 45 OK 70 70 - 100 - 3.5=100 HG2 LYS 45 + HE3 LYS 45 OK 70 70 - 100 - 3.5=100 Peak 3919 from cnoeabs.peaks (1.44, 2.98, 41.60 ppm; 3.46 A): 6 out of 84 assignments used, quality = 1.00: HG2 LYS 63 + HE3 LYS 63 OK 98 98 - 100 - 3.5=98, 2940/3.0=12...(57) HG3 LYS 63 + HE3 LYS 63 OK 98 98 - 100 - 3.5=98, 2940/3.0=12...(57) HG2 LYS 63 + HE2 LYS 63 OK 98 98 - 100 - 3.5=98, 2940/3.0=12...(57) HG3 LYS 63 + HE2 LYS 63 OK 98 98 - 100 - 3.5=98, 2940/3.0=12...(57) * HG3 LYS 94 + HE2 LYS 94 OK 95 100 - 95 - 3.7=83, 3887/4.9=11...(39) HG3 LYS 94 + HE3 LYS 94 OK 95 100 - 95 - 3.7=83, 3887/4.9=11...(39) HG3 LYS 63 - HE2 LYS 94 OK 37 99 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG2 LYS 63 - HE2 LYS 94 OK 37 99 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 94 - HE2 LYS 63 OK 37 100 - 37 - 2.9/3863=3, 2.9/3873=2...(15) HG3 LYS 94 - HE3 LYS 63 OK 37 100 - 37 - 2.9/3863=3, 2.9/3873=2...(15) HG2 LYS 63 - HE3 LYS 94 OK 37 98 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 63 - HE3 LYS 94 OK 37 98 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 61 - HE3 LYS 61 OK 30 34 - 89 - 3.9=70, 2802/1.8=4...(47) HG2 LYS 61 - HE3 LYS 61 OK 29 32 - 89 - 3.9=70, 2802/1.8=4...(47) HG3 LYS 61 - HE3 LYS 63 OK 21 82 - 26 - 2941/3.0=2, 2934=1...(4) HG3 LYS 61 - HE2 LYS 63 OK 21 82 - 26 - 2940/3.0=2, 2934=1...(4) HG2 LYS 61 - HE2 LYS 63 OK 20 80 - 26 - 2941/3.0=2, 2924=1...(4) HG2 LYS 61 - HE3 LYS 63 OK 20 80 - 26 - 2941/3.0=2, 2934=1...(4) HG3 LYS 94 - HE2 LYS 45 OK 17 74 - 23 - 2.9/3862=2, 2.9/3872=2...(9) HG3 LYS 94 - HE3 LYS 45 OK 17 74 - 23 - 2.9/3862=2, 2.9/3872=2...(9) HG3 LYS 63 - HE3 LYS 45 OK 15 71 - 21 - 2.9/2905=2, 2.9/2915=1...(4) HG3 LYS 63 - HE2 LYS 45 OK 15 71 - 21 - 2.9/2905=2, 2.9/2915=1...(4) HG2 LYS 63 - HE3 LYS 45 OK 15 71 - 21 - 2.9/2905=2, 2.9/2915=1...(4) HG2 LYS 63 - HE2 LYS 45 OK 15 71 - 21 - 2.9/2905=2, 2.9/2915=1...(4) HG3 LYS 61 - HE3 LYS 94 OK 10 82 - 12 - HG3 LYS 61 - HE2 LYS 94 OK 10 83 - 12 - HG2 LYS 61 - HE3 LYS 94 poor 10 79 - 12 - HG2 LYS 61 - HE2 LYS 94 poor 10 81 - 12 - HG3 LYS 94 - HE3 LYS 61 poor 9 47 - 19 - 3890/2.9=2, 3890/2.9=2...(5) HG3 LYS 63 - HE3 LYS 61 poor 8 45 - 18 - 2.9/2905=1 HG2 LYS 63 - HE3 LYS 61 poor 8 45 - 18 - 2.9/2905=1 HG3 LYS 61 - HE3 LYS 45 poor 7 54 - 13 - HG3 LYS 61 - HE2 LYS 45 poor 7 54 - 13 - HG2 LYS 61 - HE3 LYS 45 poor 7 52 - 13 - HG2 LYS 61 - HE2 LYS 45 poor 7 52 - 13 - HD3 LYS 86 - HE2 LYS 94 lone 5 83 - 6 - 3616/3.7=2 HD3 LYS 86 - HE3 LYS 94 lone 5 82 - 6 - 3616/3.7=2 QB ALA 31 - HE3 LYS 45 lone 4 51 - 9 - 5095/5.0=1, 5095/5.0=1...(4) QB ALA 31 - HE2 LYS 45 lone 4 51 - 9 - 5095/5.0=1, 5095/5.0=1...(4) HG13 ILE 51 - HE2 LYS 94 lone 4 99 - 4 - 4214/7.2=1 HG13 ILE 51 - HE3 LYS 94 lone 4 98 - 4 - 4214/7.2=1 HB ILE 51 - HE3 LYS 63 lone 4 90 - 4 - HB ILE 51 - HE2 LYS 63 lone 4 89 - 4 - HD3 LYS 86 - HE3 LYS 63 lone 3 82 - 4 - HD3 LYS 86 - HE2 LYS 63 lone 3 82 - 4 - HG13 ILE 51 - HE3 LYS 63 lone 3 98 - 3 - HG13 ILE 51 - HE2 LYS 63 lone 3 98 - 3 - HB ILE 51 - HE2 LYS 94 lone 3 90 - 3 - HB ILE 51 - HE3 LYS 94 lone 3 89 - 3 - QB ALA 31 - HE3 LYS 63 lone 2 78 - 3 - 5093/3.0=1 QB ALA 31 - HE2 LYS 63 lone 2 77 - 3 - 5093/3.0=1 QB ALA 31 - HE2 LYS 94 lone 2 78 - 3 - QB ALA 31 - HE3 LYS 94 lone 2 77 - 3 - HB2 LYS 41 - HE2 LYS 94 lone 2 63 - 3 - HB2 LYS 41 - HE3 LYS 94 lone 2 62 - 3 - HB2 LYS 41 - HE3 LYS 45 lone 2 39 - 5 - 2061/3.5=2 HB2 LYS 41 - HE2 LYS 45 lone 2 39 - 5 - 2061/3.5=2 HB2 LYS 41 - HE3 LYS 61 lone 2 24 - 7 - 2064/1.8=2, ~2054=1, ~2119=1 HG12 ILE 80 - HE3 LYS 63 lone 1 96 - 1 - HG12 ILE 80 - HE2 LYS 63 lone 1 96 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 97 - 1 - HG12 ILE 80 - HE3 LYS 94 lone 1 96 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 96 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 96 - 1 - HD3 LYS 86 - HE2 LYS 45 lone 1 54 - 2 - HD3 LYS 86 - HE3 LYS 45 lone 1 54 - 2 - HD3 LYS 86 - HE3 LYS 61 lone 1 34 - 3 - QG2 THR 67 - HE2 LYS 94 lone 1 97 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 96 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 71 - 1 - HG13 ILE 51 - HE2 LYS 45 lone 1 71 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 1 68 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 1 68 - 1 - HG13 ILE 51 - HE3 LYS 61 lone 1 45 - 2 - QB ALA 31 - HE3 LYS 61 lone 1 31 - 2 - HB2 LYS 41 - HE3 LYS 63 lone 1 62 - 1 - HB2 LYS 41 - HE2 LYS 63 lone 1 62 - 1 - HB ILE 51 - HE3 LYS 45 lone 1 61 - 1 - HB ILE 51 - HE2 LYS 45 lone 1 61 - 1 - HB ILE 51 - HE3 LYS 61 lone 0 38 - 1 - QG2 THR 67 - HE3 LYS 61 lone 0 43 - 1 - QG2 THR 67 - HE3 LYS 45 lone 0 68 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 68 - 1 - HG12 ILE 80 - HE3 LYS 61 lone 0 43 - 1 - Peak 3920 from cnoeabs.peaks (1.68, 2.98, 41.60 ppm; 3.00 A): 10 out of 12 assignments used, quality = 1.00: HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 * HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE2 LYS 63 OK 99 99 - 100 - 3.0=100 HD2 LYS 61 + HE3 LYS 61 OK 47 47 - 100 - 2.9=100 HD3 LYS 61 + HE3 LYS 61 OK 47 47 - 100 - 2.9=100 HD3 LYS 45 + HE2 LYS 45 OK 47 47 - 100 - 3.0=100 HD3 LYS 45 + HE3 LYS 45 OK 47 47 - 100 - 3.0=100 HD2 LYS 45 - HE2 LYS 45 OK 43 43 - 100 - 3.0=100 HD2 LYS 45 - HE3 LYS 45 OK 43 43 - 100 - 3.0=100 Peak 3921 from cnoeabs.peaks (1.68, 2.98, 41.60 ppm; 3.00 A): 10 out of 12 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE2 LYS 63 OK 99 99 - 100 - 3.0=100 HD2 LYS 61 + HE3 LYS 61 OK 47 47 - 100 - 2.9=100 HD3 LYS 61 + HE3 LYS 61 OK 47 47 - 100 - 2.9=100 HD3 LYS 45 + HE2 LYS 45 OK 47 47 - 100 - 3.0=100 HD3 LYS 45 + HE3 LYS 45 OK 47 47 - 100 - 3.0=100 HD2 LYS 45 - HE2 LYS 45 OK 43 43 - 100 - 3.0=100 HD2 LYS 45 - HE3 LYS 45 OK 43 43 - 100 - 3.0=100 Peak 3922 from cnoeabs.peaks (2.98, 2.98, 41.60 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 45 + HE2 LYS 45 OK 64 64 - 100 HE3 LYS 45 + HE3 LYS 45 OK 64 64 - 100 HE3 LYS 61 - HE3 LYS 61 OK 30 30 - 100 Peak 3923 from cnoeabs.peaks (2.97, 2.98, 41.60 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 45 + HE2 LYS 45 OK 58 58 - 100 HE3 LYS 45 + HE3 LYS 45 OK 58 58 - 100 HE3 LYS 61 - HE3 LYS 61 OK 25 25 - 100 Reference assignment not found: HE3 LYS 94 - HE2 LYS 94 Peak 3926 from cnoeabs.peaks (1.82, 2.97, 41.60 ppm; 4.19 A): 4 out of 54 assignments used, quality = 1.00: * HB2 LYS 94 + HE3 LYS 94 OK 95 100 - 95 - 4.9=62, 3858/3.7=20...(54) HB2 LYS 94 + HE2 LYS 94 OK 95 100 - 95 - 4.9=62, 3858/3.7=20...(54) HB2 LYS 94 + HE2 LYS 63 OK 58 100 - 58 - 3863=6, 3863/1.8=5...(30) HB2 LYS 94 + HE3 LYS 63 OK 58 100 - 58 - 3863=6, 3863/1.8=5...(30) HB2 LYS 61 - HE2 LYS 63 OK 26 89 - 30 - 2773/1.8=2, ~2783=2...(7) HB2 LYS 61 - HE3 LYS 63 OK 26 89 - 30 - 2773/1.8=2, ~2783=2...(7) HB2 LYS 94 - HE2 LYS 45 OK 25 64 - 39 - 3862=4, 3858/3.5=3...(12) HB2 LYS 94 - HE3 LYS 45 OK 25 64 - 39 - 3862=4, 3858/3.5=3...(12) HG LEU 62 - HE2 LYS 63 OK 12 96 - 13 - 4257/6.9=4, ~5957=1, ~5955=1 HB2 LYS 61 - HE3 LYS 94 OK 12 90 - 14 - 2773/1.8=1 HG LEU 62 - HE3 LYS 63 OK 12 95 - 13 - 4257/6.9=4, ~5957=1, ~5955=1 HB2 LYS 61 - HE2 LYS 94 OK 12 89 - 13 - HB ILE 93 - HE3 LYS 94 OK 11 93 - 11 - 4377/7.2=5, ~6854=1 HB ILE 93 - HE2 LYS 94 OK 10 92 - 11 - 4377/7.2=5, ~6854=1 HB2 LYS 61 - HE2 LYS 45 poor 8 52 - 16 - 2773/1.8=2, ~2783=1...(4) HB2 LYS 61 - HE3 LYS 45 poor 8 52 - 16 - 2773/1.8=2, ~2783=1...(4) HG LEU 62 - HE3 LYS 94 lone 7 97 - 7 - ~5957=1 HG LEU 62 - HE2 LYS 94 lone 7 96 - 7 - ~5957=1 HB3 GLU 65 - HE3 LYS 94 lone 4 100 - 4 - ~6018=1 HB3 GLU 65 - HE2 LYS 94 lone 4 100 - 4 - ~6018=1 HB ILE 93 - HE2 LYS 63 lone 3 92 - 3 - 285/6.9=1 HB ILE 93 - HE3 LYS 63 lone 3 92 - 3 - 285/6.9=1 HB ILE 39 - HE3 LYS 94 lone 3 100 - 3 - HB ILE 39 - HE2 LYS 94 lone 3 100 - 3 - HB3 GLU 65 - HE2 LYS 63 lone 3 100 - 3 - HB3 GLU 65 - HE3 LYS 63 lone 3 100 - 3 - HG LEU 62 - HE3 LYS 45 lone 2 59 - 3 - HG LEU 62 - HE2 LYS 45 lone 2 59 - 3 - HB ILE 39 - HE2 LYS 63 lone 1 100 - 1 - HB ILE 39 - HE3 LYS 63 lone 1 100 - 1 - HB2 PRO 74 - HE2 LYS 63 lone 1 91 - 1 - HB2 GLN 48 - HE3 LYS 94 lone 1 90 - 1 - HB2 PRO 74 - HE3 LYS 63 lone 1 91 - 1 - HB2 GLN 48 - HE2 LYS 94 lone 1 89 - 1 - HG2 GLU 87 - HE3 LYS 94 lone 1 78 - 2 - HG2 GLU 87 - HE2 LYS 94 lone 1 77 - 2 - HB2 GLN 48 - HE2 LYS 63 lone 1 89 - 1 - HB2 GLN 48 - HE3 LYS 63 lone 1 89 - 1 - HB2 PRO 74 - HE3 LYS 94 lone 1 92 - 1 - HG2 GLU 87 - HE2 LYS 63 lone 1 77 - 1 - HG2 GLU 87 - HE3 LYS 63 lone 1 77 - 1 - HB2 PRO 74 - HE2 LYS 94 lone 1 91 - 1 - HB ILE 39 - HE3 LYS 45 lone 1 64 - 1 - HB ILE 39 - HE2 LYS 45 lone 1 64 - 1 - HB3 GLU 65 - HE2 LYS 45 lone 1 64 - 1 - HB3 GLU 65 - HE3 LYS 45 lone 1 64 - 1 - HB ILE 93 - HE2 LYS 45 lone 1 55 - 1 - HB ILE 93 - HE3 LYS 45 lone 1 55 - 1 - HB2 PRO 74 - HE2 LYS 45 lone 1 54 - 1 - HB2 PRO 74 - HE3 LYS 45 lone 1 54 - 1 - HB2 GLN 48 - HE3 LYS 45 lone 0 52 - 1 - HB2 GLN 48 - HE2 LYS 45 lone 0 52 - 1 - HG2 GLU 87 - HE3 LYS 45 lone 0 43 - 1 - HG2 GLU 87 - HE2 LYS 45 lone 0 43 - 1 - Peak 3927 from cnoeabs.peaks (1.54, 2.97, 41.60 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.68: HG2 LYS 45 + HE3 LYS 45 OK 43 43 - 100 - 3.5=100 HG2 LYS 45 + HE2 LYS 45 OK 43 43 - 100 - 3.5=100 Reference assignment not found: HB3 LYS 94 - HE3 LYS 94 Peak 3928 from cnoeabs.peaks (1.51, 2.97, 41.60 ppm; 3.93 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.7=100 HG2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.7=100 HG2 LYS 45 + HE2 LYS 45 OK 60 60 - 100 - 3.5=100 HG2 LYS 45 + HE3 LYS 45 OK 60 60 - 100 - 3.5=100 Peak 3929 from cnoeabs.peaks (1.44, 2.97, 41.60 ppm; 3.46 A): 6 out of 72 assignments used, quality = 1.00: HG3 LYS 63 + HE2 LYS 63 OK 98 98 - 100 - 3.5=98, 2941/3.0=12...(57) HG2 LYS 63 + HE2 LYS 63 OK 98 98 - 100 - 3.5=98, 2941/3.0=12...(57) HG3 LYS 63 + HE3 LYS 63 OK 97 98 - 100 - 3.5=98, 2940/3.0=12...(57) HG2 LYS 63 + HE3 LYS 63 OK 97 98 - 100 - 3.5=98, 2940/3.0=12...(57) * HG3 LYS 94 + HE3 LYS 94 OK 95 100 - 95 - 3.7=83, 3887/4.9=11...(39) HG3 LYS 94 + HE2 LYS 94 OK 94 100 - 95 - 3.7=83, 3887/4.9=11...(39) HG2 LYS 63 - HE3 LYS 94 OK 37 99 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 63 - HE3 LYS 94 OK 37 99 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 94 - HE2 LYS 63 OK 37 100 - 37 - 2.9/3863=3, 2.9/3873=2...(15) HG3 LYS 94 - HE3 LYS 63 OK 37 100 - 37 - 2.9/3863=3, 2.9/3873=2...(15) HG2 LYS 63 - HE2 LYS 94 OK 37 98 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 63 - HE2 LYS 94 OK 37 98 - 38 - 2.9/2904=3, 2.9/2914=3...(15) HG3 LYS 61 - HE2 LYS 63 OK 21 82 - 26 - 2940/3.0=2, 2924=1...(4) HG3 LYS 61 - HE3 LYS 63 OK 21 81 - 26 - 2941/3.0=2, 2924=1...(4) HG2 LYS 61 - HE2 LYS 63 OK 20 80 - 26 - 2941/3.0=2, 2934=1...(4) HG2 LYS 61 - HE3 LYS 63 OK 20 79 - 26 - 2940/3.0=2, 2924=1...(4) HG3 LYS 94 - HE3 LYS 45 OK 15 64 - 23 - 2.9/3862=2, 2.9/3872=2...(9) HG3 LYS 94 - HE2 LYS 45 OK 15 64 - 23 - 2.9/3862=2, 2.9/3872=2...(9) HG3 LYS 63 - HE2 LYS 45 OK 13 61 - 20 - 2.9/2905=2, 2.9/2915=1...(4) HG3 LYS 63 - HE3 LYS 45 OK 13 61 - 20 - 2.9/2905=2, 2.9/2915=1...(4) HG2 LYS 63 - HE3 LYS 45 OK 13 61 - 20 - 2.9/2905=2, 2.9/2915=1...(4) HG2 LYS 63 - HE2 LYS 45 OK 13 61 - 20 - 2.9/2905=2, 2.9/2915=1...(4) HG3 LYS 61 - HE3 LYS 94 OK 10 83 - 12 - HG2 LYS 61 - HE3 LYS 94 poor 10 81 - 12 - HG3 LYS 61 - HE2 LYS 94 poor 10 82 - 12 - HG2 LYS 61 - HE2 LYS 94 poor 9 79 - 12 - HG3 LYS 61 - HE3 LYS 45 poor 6 47 - 13 - HG3 LYS 61 - HE2 LYS 45 poor 6 47 - 13 - HG2 LYS 61 - HE3 LYS 45 poor 6 45 - 13 - HG2 LYS 61 - HE2 LYS 45 poor 6 45 - 13 - HD3 LYS 86 - HE3 LYS 94 lone 5 83 - 6 - 3616/3.7=2 HD3 LYS 86 - HE2 LYS 94 lone 5 82 - 6 - 3616/3.7=2 HG13 ILE 51 - HE3 LYS 94 lone 4 99 - 4 - 4214/7.2=1 HG13 ILE 51 - HE2 LYS 94 lone 4 98 - 4 - 4214/7.2=1 QB ALA 31 - HE3 LYS 45 lone 4 43 - 9 - 5095/5.0=1, 5095/5.0=1...(4) QB ALA 31 - HE2 LYS 45 lone 4 43 - 9 - 5095/5.0=1, 5095/5.0=1...(4) HB ILE 51 - HE2 LYS 63 lone 4 89 - 4 - HB ILE 51 - HE3 LYS 63 lone 4 89 - 4 - HD3 LYS 86 - HE2 LYS 63 lone 3 82 - 4 - HD3 LYS 86 - HE3 LYS 63 lone 3 81 - 4 - HG13 ILE 51 - HE2 LYS 63 lone 3 98 - 3 - HG13 ILE 51 - HE3 LYS 63 lone 3 98 - 3 - HB ILE 51 - HE3 LYS 94 lone 3 90 - 3 - HB ILE 51 - HE2 LYS 94 lone 3 89 - 3 - QB ALA 31 - HE2 LYS 63 lone 2 77 - 3 - 5093/3.0=1 QB ALA 31 - HE3 LYS 63 lone 2 77 - 3 - 5093/3.0=1 QB ALA 31 - HE3 LYS 94 lone 2 78 - 3 - QB ALA 31 - HE2 LYS 94 lone 2 77 - 3 - HB2 LYS 41 - HE3 LYS 94 lone 2 63 - 3 - HB2 LYS 41 - HE2 LYS 94 lone 2 62 - 3 - HB2 LYS 41 - HE3 LYS 45 lone 2 33 - 5 - 2061/3.5=2 HB2 LYS 41 - HE2 LYS 45 lone 2 33 - 5 - 2061/3.5=2 HG12 ILE 80 - HE2 LYS 63 lone 1 96 - 1 - HG12 ILE 80 - HE3 LYS 63 lone 1 95 - 1 - HG12 ILE 80 - HE3 LYS 94 lone 1 97 - 1 - HG12 ILE 80 - HE2 LYS 94 lone 1 96 - 1 - QG2 THR 67 - HE2 LYS 63 lone 1 96 - 1 - QG2 THR 67 - HE3 LYS 63 lone 1 95 - 1 - QG2 THR 67 - HE3 LYS 94 lone 1 97 - 1 - QG2 THR 67 - HE2 LYS 94 lone 1 96 - 1 - HD3 LYS 86 - HE3 LYS 45 lone 1 47 - 2 - HD3 LYS 86 - HE2 LYS 45 lone 1 47 - 2 - HG13 ILE 51 - HE2 LYS 45 lone 1 61 - 1 - HG13 ILE 51 - HE3 LYS 45 lone 1 61 - 1 - HG12 ILE 80 - HE2 LYS 45 lone 1 59 - 1 - HG12 ILE 80 - HE3 LYS 45 lone 1 59 - 1 - HB2 LYS 41 - HE2 LYS 63 lone 1 62 - 1 - HB2 LYS 41 - HE3 LYS 63 lone 1 61 - 1 - HB ILE 51 - HE3 LYS 45 lone 0 52 - 1 - HB ILE 51 - HE2 LYS 45 lone 0 52 - 1 - QG2 THR 67 - HE3 LYS 45 lone 0 59 - 1 - QG2 THR 67 - HE2 LYS 45 lone 0 59 - 1 - Peak 3930 from cnoeabs.peaks (1.68, 2.97, 41.60 ppm; 3.00 A): 6 out of 10 assignments used, quality = 1.00: * HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE2 LYS 63 OK 99 99 - 100 - 3.0=100 HD3 LYS 63 + HE3 LYS 63 OK 99 99 - 100 - 3.0=100 HD3 LYS 45 - HE2 LYS 45 OK 40 40 - 100 - 3.0=100 HD3 LYS 45 - HE3 LYS 45 OK 40 40 - 100 - 3.0=100 HD2 LYS 45 - HE2 LYS 45 OK 37 37 - 100 - 3.0=100 HD2 LYS 45 - HE3 LYS 45 OK 37 37 - 100 - 3.0=100 Peak 3931 from cnoeabs.peaks (1.68, 2.97, 41.60 ppm; 3.00 A): 6 out of 10 assignments used, quality = 1.00: HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 * HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD3 LYS 63 + HE2 LYS 63 OK 99 99 - 100 - 3.0=100 HD3 LYS 63 + HE3 LYS 63 OK 99 99 - 100 - 3.0=100 HD3 LYS 45 - HE2 LYS 45 OK 40 40 - 100 - 3.0=100 HD3 LYS 45 - HE3 LYS 45 OK 40 40 - 100 - 3.0=100 HD2 LYS 45 - HE2 LYS 45 OK 37 37 - 100 - 3.0=100 HD2 LYS 45 - HE3 LYS 45 OK 37 37 - 100 - 3.0=100 Peak 3932 from cnoeabs.peaks (2.98, 2.97, 41.60 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 100 100 - 100 HE2 LYS 45 + HE2 LYS 45 OK 55 55 - 100 HE3 LYS 45 + HE3 LYS 45 OK 55 55 - 100 Reference assignment not found: HE2 LYS 94 - HE3 LYS 94 Peak 3933 from cnoeabs.peaks (2.97, 2.97, 41.60 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 63 + HE2 LYS 63 OK 100 100 - 100 HE3 LYS 63 + HE3 LYS 63 OK 99 99 - 100 HE2 LYS 94 + HE2 LYS 94 OK 99 99 - 100 HE2 LYS 45 + HE2 LYS 45 OK 50 50 - 100 HE3 LYS 45 + HE3 LYS 45 OK 50 50 - 100 Peak 3935 from cnoeabs.peaks (4.96, 4.96, 60.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 95 + HA VAL 95 OK 100 100 - 100 Peak 3936 from cnoeabs.peaks (1.95, 4.96, 60.90 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 95 + HA VAL 95 OK 100 100 - 100 - 3.0=100 Peak 3937 from cnoeabs.peaks (1.10, 4.96, 60.90 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 95 + HA VAL 95 OK 100 100 - 100 - 3.2=100 Peak 3938 from cnoeabs.peaks (0.98, 4.96, 60.90 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 95 + HA VAL 95 OK 100 100 - 100 - 3.2=100 Peak 3939 from cnoeabs.peaks (9.37, 1.95, 34.67 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + HB VAL 95 OK 100 100 - 100 - 3.9=100 Peak 3940 from cnoeabs.peaks (4.96, 1.95, 34.67 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 95 + HB VAL 95 OK 100 100 - 100 - 3.0=100 Peak 3941 from cnoeabs.peaks (1.95, 1.95, 34.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 95 + HB VAL 95 OK 100 100 - 100 Peak 3942 from cnoeabs.peaks (1.10, 1.95, 34.67 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 95 + HB VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3943 from cnoeabs.peaks (0.98, 1.95, 34.67 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 95 + HB VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3944 from cnoeabs.peaks (9.37, 1.10, 22.24 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.92: * H VAL 95 + QG2 VAL 95 OK 92 100 - 92 - 4.0=69, 1042/2.1=24...(15) Peak 3945 from cnoeabs.peaks (4.96, 1.10, 22.24 ppm; 3.13 A): 2 out of 4 assignments used, quality = 0.99: * HA VAL 95 + QG2 VAL 95 OK 96 100 - 96 - 3.2=94, 3.0/3944=21...(9) HA VAL 18 + QG2 VAL 95 OK 62 100 - 62 - 3.2/6907=22, 3.2/4715=12...(15) HA ASN 52 - QG2 VAL 95 lone 4 68 - 5 - ~5768=1 HA ASN 24 - QG2 VAL 95 lone 2 92 - 2 - Peak 3946 from cnoeabs.peaks (1.95, 1.10, 22.24 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 95 + QG2 VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3947 from cnoeabs.peaks (1.10, 1.10, 22.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 95 + QG2 VAL 95 OK 100 100 - 100 Peak 3948 from cnoeabs.peaks (0.98, 1.10, 22.24 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 95 + QG2 VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3949 from cnoeabs.peaks (9.37, 0.98, 24.04 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + QG1 VAL 95 OK 100 100 - 100 - 4.0=100 Peak 3950 from cnoeabs.peaks (4.96, 0.98, 24.04 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 95 + QG1 VAL 95 OK 100 100 - 100 - 3.2=100 Peak 3951 from cnoeabs.peaks (1.95, 0.98, 24.04 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 95 + QG1 VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3952 from cnoeabs.peaks (1.10, 0.98, 24.04 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 95 + QG1 VAL 95 OK 100 100 - 100 - 2.1=100 Peak 3953 from cnoeabs.peaks (0.98, 0.98, 24.04 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 95 + QG1 VAL 95 OK 100 100 - 100 QB ALA 66 - QB ALA 66 OK 45 45 - 100 Peak 3954 from cnoeabs.peaks (8.93, 4.70, 56.52 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H SER 96 + HA SER 96 OK 100 100 - 100 - 3.0=100 Peak 3955 from cnoeabs.peaks (4.70, 4.70, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 96 + HA SER 96 OK 100 100 - 100 Peak 3956 from cnoeabs.peaks (4.11, 4.70, 56.52 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 96 + HA SER 96 OK 100 100 - 100 - 3.0=100 Peak 3957 from cnoeabs.peaks (3.97, 4.70, 56.52 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 96 + HA SER 96 OK 100 100 - 100 - 3.0=100 Peak 3958 from cnoeabs.peaks (8.93, 4.11, 66.07 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.92: * H SER 96 + HB2 SER 96 OK 88 100 - 88 - 4.1=76, 3962/1.8=30...(5) H VAL 18 + HB2 SER 96 OK 26 99 - 26 - 4.6/6932=13, 4.5/6934=7...(4) H ALA 66 + HB2 SER 96 OK 11 99 - 12 - 3962/1.8=3, ~6037=1...(6) H ASP 56 - HB2 SER 96 lone 2 93 - 2 - Peak 3959 from cnoeabs.peaks (4.70, 4.11, 66.07 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 96 + HB2 SER 96 OK 100 100 - 100 - 3.0=100 Peak 3960 from cnoeabs.peaks (4.11, 4.11, 66.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 96 + HB2 SER 96 OK 100 100 - 100 Peak 3961 from cnoeabs.peaks (3.97, 4.11, 66.07 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 96 + HB2 SER 96 OK 100 100 - 100 - 1.8=100 Peak 3962 from cnoeabs.peaks (8.93, 3.97, 66.07 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.88: * H SER 96 + HB3 SER 96 OK 88 100 - 88 - 4.1=78, 3958/1.8=26...(5) H VAL 18 - HB3 SER 96 lone 9 99 - 10 - 3958/1.8=8, 3.9/6951=1 H ALA 66 - HB3 SER 96 lone 8 99 - 8 - 3958/1.8=3, ~6037=2, ~6041=2 H ASP 56 - HB3 SER 96 lone 2 93 - 2 - Peak 3963 from cnoeabs.peaks (4.70, 3.97, 66.07 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 96 + HB3 SER 96 OK 100 100 - 100 - 3.0=100 Peak 3964 from cnoeabs.peaks (4.11, 3.97, 66.07 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 96 + HB3 SER 96 OK 100 100 - 100 - 1.8=100 Peak 3965 from cnoeabs.peaks (3.97, 3.97, 66.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 96 + HB3 SER 96 OK 100 100 - 100 Peak 3966 from cnoeabs.peaks (8.89, 4.77, 60.47 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 97 + HA PHE 97 OK 100 100 - 100 - 2.9=100 Peak 3967 from cnoeabs.peaks (4.77, 4.77, 60.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 97 + HA PHE 97 OK 100 100 - 100 Peak 3968 from cnoeabs.peaks (3.19, 4.77, 60.47 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 97 + HA PHE 97 OK 100 100 - 100 - 3.0=100 Peak 3969 from cnoeabs.peaks (2.88, 4.77, 60.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 97 + HA PHE 97 OK 100 100 - 100 - 3.0=100 Peak 3973 from cnoeabs.peaks (7.34, 4.77, 60.47 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 97 + HA PHE 97 OK 100 100 - 100 - 3.7=100 Peak 3974 from cnoeabs.peaks (8.89, 3.19, 39.41 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.97: * H PHE 97 + HB2 PHE 97 OK 97 100 - 97 - 4.0=90, 1052/1.8=40...(9) H MET 50 - HB2 PHE 97 lone 6 96 - 6 - 3982/1.8=2, 456/4.4=2 Peak 3975 from cnoeabs.peaks (4.77, 3.19, 39.41 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 97 + HB2 PHE 97 OK 100 100 - 100 - 3.0=100 Peak 3976 from cnoeabs.peaks (3.19, 3.19, 39.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 97 + HB2 PHE 97 OK 100 100 - 100 Peak 3977 from cnoeabs.peaks (2.88, 3.19, 39.41 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 97 + HB2 PHE 97 OK 100 100 - 100 - 1.8=100 Peak 3981 from cnoeabs.peaks (7.34, 3.19, 39.41 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 97 + HB2 PHE 97 OK 100 100 - 100 - 2.4=100 Peak 3982 from cnoeabs.peaks (8.89, 2.88, 39.41 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.94: * H PHE 97 + HB3 PHE 97 OK 94 100 - 94 - 4.0=80, 1051/1.8=35...(9) H MET 50 - HB3 PHE 97 lone 6 96 - 6 - 3974/1.8=2, 456/4.4=2 Peak 3983 from cnoeabs.peaks (4.77, 2.88, 39.41 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 97 + HB3 PHE 97 OK 100 100 - 100 - 3.0=100 Peak 3984 from cnoeabs.peaks (3.19, 2.88, 39.41 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 97 + HB3 PHE 97 OK 100 100 - 100 - 1.8=100 Peak 3985 from cnoeabs.peaks (2.88, 2.88, 39.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 97 + HB3 PHE 97 OK 100 100 - 100 Peak 3989 from cnoeabs.peaks (7.34, 2.88, 39.41 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 97 + HB3 PHE 97 OK 100 100 - 100 - 2.4=100 Peak 4004 from cnoeabs.peaks (7.16, 7.16, 129.36 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * QE PHE 97 + QE PHE 97 OK 96 96 - 100 HZ PHE 97 + HZ PHE 97 OK 83 83 - 100 Peak 4005 from cnoeabs.peaks (7.34, 7.16, 129.36 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.95: * QD PHE 97 + QE PHE 97 OK 95 95 - 100 - 2.2=100 Peak 4006 from cnoeabs.peaks (8.89, 7.34, 131.60 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.98: * H PHE 97 + QD PHE 97 OK 98 98 - 100 - 4.5=100 Peak 4007 from cnoeabs.peaks (4.77, 7.34, 131.60 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.98: * HA PHE 97 + QD PHE 97 OK 98 98 - 100 - 3.7=100 Peak 4008 from cnoeabs.peaks (3.19, 7.34, 131.60 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.98: * HB2 PHE 97 + QD PHE 97 OK 98 98 - 100 - 2.4=100 Peak 4009 from cnoeabs.peaks (2.88, 7.34, 131.60 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.98: * HB3 PHE 97 + QD PHE 97 OK 98 98 - 100 - 2.4=100 Peak 4012 from cnoeabs.peaks (7.16, 7.34, 131.60 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.98: * QE PHE 97 + QD PHE 97 OK 98 98 - 100 - 2.2=100 Peak 4013 from cnoeabs.peaks (7.34, 7.34, 131.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QD PHE 97 + QD PHE 97 OK 98 98 - 100 Peak 4014 from cnoeabs.peaks (8.47, 4.37, 51.99 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 98 + HA ALA 98 OK 100 100 - 100 - 3.0=100 Peak 4015 from cnoeabs.peaks (4.37, 4.37, 51.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 98 + HA ALA 98 OK 100 100 - 100 Peak 4016 from cnoeabs.peaks (1.27, 4.37, 51.99 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 98 + HA ALA 98 OK 100 100 - 100 - 2.1=100 Peak 4017 from cnoeabs.peaks (8.47, 1.27, 19.20 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 98 + QB ALA 98 OK 100 100 - 100 - 2.9=100 Peak 4018 from cnoeabs.peaks (4.37, 1.27, 19.20 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 98 + QB ALA 98 OK 100 100 - 100 - 2.1=100 Peak 4019 from cnoeabs.peaks (1.27, 1.27, 19.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 98 + QB ALA 98 OK 100 100 - 100 Peak 4020 from cnoeabs.peaks (7.81, 4.14, 62.48 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H THR 99 + HA THR 99 OK 100 100 - 100 - 3.0=100 Peak 4021 from cnoeabs.peaks (4.14, 4.14, 62.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 99 + HA THR 99 OK 100 100 - 100 Peak 4022 from cnoeabs.peaks (4.20, 4.14, 62.48 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.97: * HB THR 99 + HA THR 99 OK 97 100 - 97 - 3.0=94, 2.1/4023=28...(7) HA ILE 37 - HA THR 99 lone 3 76 - 4 - ~1921=1, ~1928=1 HA TYR 33 - HA THR 99 lone 2 100 - 2 - HA3 GLY 60 - HA THR 99 lone 0 65 - 0 - HA3 GLY 47 - HA THR 99 lone 0 65 - 0 - Peak 4023 from cnoeabs.peaks (1.08, 4.14, 62.48 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.91: * QG2 THR 99 + HA THR 99 OK 91 100 - 91 - 3.2=80, 2.1/4022=29...(9) QG2 VAL 95 - HA THR 99 lone 5 87 - 6 - ~7029=3 HG LEU 21 - HA THR 99 lone 2 78 - 3 - Peak 4024 from cnoeabs.peaks (7.81, 4.20, 70.67 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H THR 99 + HB THR 99 OK 100 100 - 100 - 3.9=100 Peak 4025 from cnoeabs.peaks (4.14, 4.20, 70.67 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.95: * HA THR 99 + HB THR 99 OK 95 100 - 95 - 3.0=91, 4023/2.1=27...(7) HA GLN 36 - HB THR 99 OK 11 97 - 11 - 2.9/1171=3, 4029/2.1=2...(5) HB THR 15 - HB THR 99 lone 2 99 - 2 - 4029/2.1=2 HA VAL 25 - HB THR 99 lone 1 97 - 1 - 4029/2.1=1 HA ALA 78 - HB THR 99 lone 1 87 - 1 - HA3 GLY 22 - HB THR 99 lone 1 57 - 1 - HA GLU 23 - HB THR 99 lone 0 73 - 1 - HB2 SER 96 - HB THR 99 lone 0 57 - 1 - HA3 GLY 90 - HB THR 99 lone 0 78 - 0 - Peak 4026 from cnoeabs.peaks (4.20, 4.20, 70.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 99 + HB THR 99 OK 100 100 - 100 Peak 4027 from cnoeabs.peaks (1.08, 4.20, 70.67 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 99 + HB THR 99 OK 100 100 - 100 - 2.1=100 Peak 4028 from cnoeabs.peaks (7.81, 1.08, 21.69 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.90: * H THR 99 + QG2 THR 99 OK 90 100 - 90 - 4.0=76, 3.0/4023=31...(5) H ILE 37 - QG2 THR 99 lone 9 100 - 9 - 4405/4.9=3, 4.6/7023=2 Peak 4029 from cnoeabs.peaks (4.14, 1.08, 21.69 ppm; 3.06 A): 1 out of 9 assignments used, quality = 0.95: * HA THR 99 + QG2 THR 99 OK 95 100 - 95 - 3.2=87, 4022/2.1=31...(9) HA GLN 36 - QG2 THR 99 lone 9 97 - 9 - 4025/2.1=3, ~1171=2...(5) HB THR 15 - QG2 THR 99 lone 7 99 - 7 - 4568/4.9=5 HA VAL 25 - QG2 THR 99 lone 5 97 - 5 - 3.6/7023=2, 4896/4.9=2 HA ALA 78 - QG2 THR 99 lone 2 87 - 2 - HB2 SER 96 - QG2 THR 99 lone 1 57 - 2 - HA3 GLY 22 - QG2 THR 99 lone 1 57 - 1 - HA3 GLY 90 - QG2 THR 99 lone 1 78 - 1 - HA GLU 23 - QG2 THR 99 lone 0 73 - 1 - Peak 4030 from cnoeabs.peaks (4.20, 1.08, 21.69 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 99 + QG2 THR 99 OK 100 100 - 100 - 2.1=100 Peak 4031 from cnoeabs.peaks (1.08, 1.08, 21.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 99 + QG2 THR 99 OK 100 100 - 100 Peak 4032 from cnoeabs.peaks (8.23, 4.36, 58.37 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HA SER 11 OK 100 100 - 100 - 3.6=100 Peak 4033 from cnoeabs.peaks (8.23, 3.85, 63.27 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HB2 SER 11 OK 100 100 - 100 - 4.6=100 Peak 4034 from cnoeabs.peaks (8.23, 3.79, 63.27 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HB3 SER 11 OK 100 100 - 100 - 4.6=100 Peak 4035 from cnoeabs.peaks (8.09, 4.60, 53.74 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 13 + HA ASP 12 OK 100 100 - 100 - 3.6=100 H ASN 13 + HA ASN 13 OK 45 45 - 100 - 3.0=100 Peak 4036 from cnoeabs.peaks (8.09, 2.67, 41.01 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + HB2 ASP 12 OK 100 100 - 100 - 4.6=100 Peak 4037 from cnoeabs.peaks (8.09, 2.62, 41.01 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + HB3 ASP 12 OK 100 100 - 100 - 4.6=100 Peak 4038 from cnoeabs.peaks (8.39, 4.62, 53.24 ppm; 3.39 A): 1 out of 9 assignments used, quality = 0.89: * H ASN 14 + HA ASN 13 OK 89 100 - 89 - 3.6=86, 12/3.0=12...(4) H ASN 24 - HA ASN 13 lone 3 100 - 3 - 667/3.0=2 H ASN 14 - HA ASP 56 lone 2 62 - 3 - 10=2 H ASN 24 - HA ASP 12 lone 1 45 - 1 - H ASN 14 - HA ASP 12 lone 1 45 - 1 - H ASN 52 - HA ASN 13 lone 1 71 - 1 - H ASN 24 - HA ASP 56 lone 0 62 - 0 - H ASN 52 - HA ASP 56 lone 0 37 - 1 - H ASN 52 - HA ASP 12 lone 0 26 - 1 - Peak 4040 from cnoeabs.peaks (8.39, 2.71, 38.30 ppm; 4.00 A): 2 out of 6 assignments used, quality = 0.99: H ASN 24 + HB3 ASN 24 OK 97 98 - 98 - 4.0=96, 666/1.8=38...(5) * H ASN 14 + HB3 ASN 13 OK 82 100 - 82 - 4.6=64, 10/3.0=35...(4) H ASN 24 - HB3 ASN 13 lone 8 100 - 8 - 667=3, 4038/3.0=1, 66/4.0=1 H ASN 14 - HB3 ASN 24 lone 5 98 - 5 - 12=1, 72/4.4=1 H ASN 52 - HB3 ASN 24 lone 2 67 - 3 - 72/4.4=2 H ASN 52 - HB3 ASN 13 lone 1 71 - 2 - Peak 4041 from cnoeabs.peaks (8.46, 4.90, 52.97 ppm; 3.45 A): 2 out of 11 assignments used, quality = 0.94: * H THR 15 + HA ASN 14 OK 93 100 - 93 - 3.6=91, 7168/3.0=16...(4) H ASP 71 + HA ASN 14 OK 20 100 - 20 - 4.6/6219=13, 3.0/7135=2...(4) H PHE 83 - HA ASN 14 lone 7 76 - 9 - 978/3.0=3, 7167/3.0=2, 378/3.0=2 H ASP 72 - HA ASN 14 lone 6 78 - 8 - 7167/3.0=2, 3.6/7135=2, ~6285=2 H LEU 21 - HA ASN 14 lone 4 95 - 4 - 4797/4.9=3 H THR 42 - HA ASN 14 lone 3 90 - 3 - H ALA 98 - HA ASN 14 lone 3 85 - 3 - H ILE 93 - HA ASN 14 lone 1 100 - 1 - H GLY 60 - HA ASN 14 lone 1 78 - 1 - H GLY 90 - HA ASN 14 lone 1 81 - 1 - H THR 67 - HA ASN 14 lone 1 63 - 1 - Peak 4042 from cnoeabs.peaks (8.46, 3.49, 38.34 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * H THR 15 + HB2 ASN 14 OK 100 100 - 100 - 4.6=100 Peak 4043 from cnoeabs.peaks (8.46, 2.52, 38.34 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H THR 15 + HB3 ASN 14 OK 100 100 - 100 - 4.6=100 Peak 4044 from cnoeabs.peaks (8.81, 5.54, 61.97 ppm; 3.11 A): 2 out of 3 assignments used, quality = 0.88: * H ILE 16 + HA THR 15 OK 86 100 - 86 - 3.6=66, 4046/3.2=14...(17) H ASN 43 + HA THR 15 OK 11 99 - 11 - 4046/3.2=3, 6211/6204=1...(5) H GLU 28 - HA THR 15 lone 9 95 - 9 - 4046/3.2=3, 6057/6082=1 Peak 4045 from cnoeabs.peaks (8.81, 4.13, 70.92 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 16 + HB THR 15 OK 100 100 - 100 - 4.4=100 Peak 4046 from cnoeabs.peaks (8.81, 1.16, 20.93 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.92: * H ILE 16 + QG2 THR 15 OK 87 100 - 87 - 4.1=62, 22/3.2=28...(16) H ASN 43 + QG2 THR 15 OK 19 99 - 19 - 4044/3.2=3, 6211/4551=1...(8) H GLU 28 + QG2 THR 15 OK 17 95 - 18 - 92=4, 4044/3.2=2...(5) Peak 4047 from cnoeabs.peaks (9.54, 5.18, 59.05 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.94: * H PHE 17 + HA ILE 16 OK 94 100 - 94 - 3.6=81, 4048/3.0=21...(15) Peak 4048 from cnoeabs.peaks (9.54, 1.86, 39.62 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.90: * H PHE 17 + HB ILE 16 OK 89 100 - 89 - 4.4=52, 4047/3.0=29...(15) H PHE 17 + HB ILE 37 OK 11 63 - 17 - 27=6, 4049/2.1=3...(5) Peak 4049 from cnoeabs.peaks (9.54, 0.83, 18.73 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.98: * H PHE 17 + QG2 ILE 16 OK 98 100 - 98 - 4.4=82, 4048/2.1=37...(19) H PHE 17 - QG2 ILE 37 OK 13 56 - 23 - 28=5, 27/2.1=5...(8) Peak 4050 from cnoeabs.peaks (9.54, 1.29, 26.04 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 17 + HG12 ILE 16 OK 100 100 - 100 - 4.9=100 Peak 4052 from cnoeabs.peaks (9.54, 0.26, 13.48 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.97: * H PHE 17 + QD1 ILE 16 OK 97 100 - 97 - 31=38, 4048/3.2=36...(17) Peak 4053 from cnoeabs.peaks (8.94, 5.41, 55.05 ppm; 3.02 A): 3 out of 5 assignments used, quality = 0.95: * H VAL 18 + HA PHE 17 OK 84 100 - 84 - 3.6=61, 39/3.7=15...(15) H SER 96 + HA PHE 17 OK 47 99 - 48 - 6931/2.9=19, 6938/3.0=10...(10) H ALA 66 + HA PHE 17 OK 35 90 - 39 - 6051=11, 2.9/4668=5...(15) H ASP 56 - HA PHE 17 lone 10 99 - 10 - 6051=2, 1069/2.9=1 H PHE 70 - HA PHE 17 lone 5 68 - 8 - 6167/6144=1, 4546/4550=1 Peak 4054 from cnoeabs.peaks (8.94, 2.82, 41.62 ppm; 4.29 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 18 + HB2 PHE 17 OK 99 100 - 99 - 4.4=91, 33/3.0=41...(10) H SER 96 + HB2 PHE 17 OK 71 99 - 72 - 6938=32, 6931/4.0=29...(8) H ALA 66 + HB2 PHE 17 OK 47 90 - 52 - 6051/3.0=21, 4648/2.4=8...(12) H ASP 56 - HB2 PHE 17 OK 14 99 - 14 - 6051/3.0=4, 4055/1.8=2...(4) H PHE 70 - HB2 PHE 17 lone 4 68 - 6 - 1069/4.0=1, 4053/3.0=1 Peak 4055 from cnoeabs.peaks (8.94, 2.71, 41.62 ppm; 4.37 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 18 + HB3 PHE 17 OK 99 100 - 99 - 4.4=96, 33/3.0=42...(10) H SER 96 + HB3 PHE 17 OK 71 99 - 72 - 6931/4.0=30, 6938/1.8=28...(7) H ALA 66 + HB3 PHE 17 OK 45 90 - 51 - 6051/3.0=21, 4648/2.4=8...(11) H ASP 56 - HB3 PHE 17 OK 15 99 - 14 - 6051/3.0=4, 4054/1.8=3...(4) H PHE 70 - HB3 PHE 17 lone 5 68 - 7 - 1069/4.0=1, 6058/6089=1 Peak 4058 from cnoeabs.peaks (8.94, 7.11, 131.38 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 18 + QD PHE 17 OK 99 99 - 100 - 4.5=100 Peak 4059 from cnoeabs.peaks (8.72, 4.96, 59.55 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.80: * H GLN 19 + HA VAL 18 OK 80 100 - 80 - 3.6=61, 44/3.2=18...(9) H ILE 40 - HA VAL 18 lone 5 95 - 6 - 4061/3.2=2, 763/3.0=1 H ALA 31 - HA VAL 18 lone 4 83 - 5 - 4061/3.2=2 Peak 4060 from cnoeabs.peaks (8.72, 1.64, 34.49 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + HB VAL 18 OK 100 100 - 100 - 4.3=100 Peak 4061 from cnoeabs.peaks (8.72, 0.87, 22.07 ppm; 3.55 A): 3 out of 3 assignments used, quality = 0.93: * H GLN 19 + QG1 VAL 18 OK 91 100 - 91 - 4.1=65, 44/2.1=33...(14) H ILE 40 + QG1 VAL 18 OK 15 95 - 16 - 163=3, 763/2.1=2...(5) H ALA 31 + QG1 VAL 18 OK 11 83 - 13 - 3.0/5088=2, 2.9/5090=1 Peak 4062 from cnoeabs.peaks (8.72, 0.67, 21.30 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 19 + QG2 VAL 18 OK 100 100 - 100 - 4.1=100 Peak 4063 from cnoeabs.peaks (8.21, 4.76, 53.70 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 20 + HA GLN 19 OK 100 100 - 100 - 3.6=100 Peak 4064 from cnoeabs.peaks (8.21, 2.11, 33.99 ppm; 3.99 A): 3 out of 4 assignments used, quality = 0.95: * H GLY 20 + HB2 GLN 19 OK 92 100 - 92 - 4.6=64, 48/1.8=37...(9) H SER 29 + HB2 GLN 19 OK 16 90 - 17 - 4065/1.8=4, 4066/3.0=4...(5) H GLU 87 + HB2 GLN 19 OK 15 83 - 19 - 4065/1.8=4, 5.0/7176=4...(6) H ASP 12 - HB2 GLN 19 lone 6 92 - 6 - 4065/1.8=2, 4066/3.0=1 Peak 4065 from cnoeabs.peaks (8.21, 1.76, 33.99 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.98: * H GLY 20 + HB3 GLN 19 OK 98 100 - 98 - 4.6=88, 46/2.9=39...(8) H GLU 87 - HB3 GLN 19 OK 20 83 - 24 - 5.0/7177=9, 4064/1.8=5...(6) H SER 29 - HB3 GLN 19 OK 18 90 - 20 - 4064/1.8=5, 4066/3.0=5...(5) H ASP 12 - HB3 GLN 19 lone 7 92 - 7 - 4064/1.8=2, 4066/3.0=2...(4) Peak 4066 from cnoeabs.peaks (8.21, 1.97, 35.05 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.95: * H GLY 20 + HG2 GLN 19 OK 93 100 - 93 - 48/3.0=43, 46/4.1=38...(10) H SER 29 + HG2 GLN 19 OK 29 90 - 32 - 4067/1.8=6, 4064/3.0=5...(10) H GLU 87 - HG2 GLN 19 OK 19 83 - 23 - 4065/3.0=6, 4064/3.0=5...(5) H ASP 12 - HG2 GLN 19 OK 10 92 - 11 - 4067/1.8=2, 4064/3.0=2...(4) Peak 4067 from cnoeabs.peaks (8.21, 1.65, 35.05 ppm; 6.19 A): 1 out of 4 assignments used, quality = 0.96: * H GLY 20 + HG3 GLN 19 OK 96 100 - 96 - 48/3.0=47, 46/4.1=44...(10) H SER 29 - HG3 GLN 19 OK 31 90 - 34 - 4066/1.8=9, 1071/5.2=7...(7) H GLU 87 - HG3 GLN 19 OK 19 83 - 23 - 4065/3.0=7, 4066/1.8=6...(4) H ASP 12 - HG3 GLN 19 OK 12 92 - 13 - 4066/1.8=3, 4065/3.0=2...(4) Peak 4068 from cnoeabs.peaks (8.47, 3.74, 45.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 21 + HA2 GLY 20 OK 100 100 - 100 - 3.6=100 Peak 4069 from cnoeabs.peaks (8.47, 4.53, 45.08 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 21 + HA3 GLY 20 OK 100 100 - 100 - 3.6=100 Peak 4070 from cnoeabs.peaks (8.00, 3.69, 55.38 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.99: * H GLY 22 + HA LEU 21 OK 99 100 - 99 - 3.6=97, 56/2.9=15...(10) H LYS 86 - HA LEU 21 OK 17 93 - 18 - 6657/4.3=5, 6670/2.9=5...(7) H PHE 34 - HA LEU 21 OK 16 97 - 16 - 5223/4.0=5, 1073/2.9=3...(5) H VAL 30 - HA LEU 21 OK 14 71 - 20 - 5103/4.0=5, 4074/4.0=3...(8) H LYS 63 - HA LEU 21 lone 9 100 - 9 - 1073/2.9=2, 4075/4.0=2 Peak 4071 from cnoeabs.peaks (8.00, 1.16, 42.22 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 22 + HB2 LEU 21 OK 100 100 - 100 - 4.6=100 H GLY 22 + HB3 LEU 21 OK 100 100 - 100 - 4.6=100 Peak 4072 from cnoeabs.peaks (8.00, 1.15, 42.22 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 22 + HB3 LEU 21 OK 100 100 - 100 - 4.6=100 H GLY 22 + HB2 LEU 21 OK 100 100 - 100 - 4.6=100 Peak 4073 from cnoeabs.peaks (8.00, 1.10, 26.05 ppm; 5.77 A): 4 out of 5 assignments used, quality = 0.99: * H GLY 22 + HG LEU 21 OK 94 100 - 94 - 57/4.3=39, 60=36...(15) H LYS 86 + HG LEU 21 OK 57 93 - 61 - 6657=17, 4.5/6649=10...(16) H PHE 34 + HG LEU 21 OK 53 97 - 55 - 5223/2.1=18, 6.5/5207=12...(12) H VAL 30 + HG LEU 21 OK 49 71 - 69 - ~5105=18, 5103/2.1=17...(15) H LYS 63 - HG LEU 21 OK 24 100 - 23 - 4075/2.1=5, 4074/2.1=5...(7) Peak 4074 from cnoeabs.peaks (8.00, -0.19, 21.31 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.98: * H GLY 22 + QD2 LEU 21 OK 91 100 - 91 - 61=35, 60/2.1=32...(18) H VAL 30 + QD2 LEU 21 OK 50 71 - 71 - 3.9/5108=18, 3.0/5105=16...(15) H PHE 34 + QD2 LEU 21 OK 48 97 - 49 - 5223/2.1=13, 6.5/4692=9...(15) H LYS 86 - QD2 LEU 21 OK 38 93 - 41 - 6657/2.1=13, 6658/6850=5...(12) H LYS 63 - QD2 LEU 21 OK 24 100 - 24 - 4075/2.1=4, 4880/4912=2...(8) Peak 4075 from cnoeabs.peaks (8.00, 0.28, 26.05 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.99: * H GLY 22 + QD1 LEU 21 OK 92 100 - 92 - 60/2.1=32, 62=31...(17) H PHE 34 + QD1 LEU 21 OK 63 97 - 65 - 5223=12, 4.5/4684=10...(21) H VAL 30 + QD1 LEU 21 OK 54 71 - 76 - 3.9/5107=15, 3.0/5104=15...(20) H LYS 86 - QD1 LEU 21 OK 38 93 - 41 - 6657/2.1=13, 4074/2.1=6...(12) H LYS 63 - QD1 LEU 21 OK 29 100 - 29 - 4.7/4782=5, 4074/2.1=4...(9) Peak 4076 from cnoeabs.peaks (8.11, 3.77, 43.68 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.93: * H GLU 23 + HA2 GLY 22 OK 93 100 - 93 - 3.6=84, 4077/1.8=25...(9) H ILE 39 - HA2 GLY 22 OK 15 100 - 14 - 4077/1.8=5, 1074/3.0=2...(5) H ALA 79 - HA2 GLY 22 OK 14 99 - 14 - 1074/3.0=3, 4077/1.8=3...(5) H VAL 68 - HA2 GLY 22 poor 8 60 - 13 - 3.0/4836=4, 1074/3.0=2...(5) H ASN 13 - HA2 GLY 22 lone 2 78 - 3 - 4077/1.8=1 Peak 4077 from cnoeabs.peaks (8.11, 4.11, 43.68 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.95: * H GLU 23 + HA3 GLY 22 OK 93 100 - 93 - 3.6=83, 64/1.8=29...(8) H ILE 39 + HA3 GLY 22 OK 16 100 - 16 - 4076/1.8=4, 1074/3.0=2...(5) H ALA 79 + HA3 GLY 22 OK 11 99 - 11 - 4076/1.8=4, 1074/3.0=3, ~6461=1 H VAL 68 - HA3 GLY 22 poor 7 60 - 11 - ~4836=3, 1074/3.0=2...(5) H ASN 13 - HA3 GLY 22 lone 4 78 - 5 - 4.6/4848=2 Peak 4078 from cnoeabs.peaks (8.39, 4.11, 56.91 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + HA GLU 23 OK 100 100 - 100 - 3.6=100 Peak 4079 from cnoeabs.peaks (8.39, 2.00, 30.22 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + HB2 GLU 23 OK 100 100 - 100 - 4.1=100 Peak 4080 from cnoeabs.peaks (8.39, 2.06, 30.22 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + HB3 GLU 23 OK 100 100 - 100 - 4.1=100 Peak 4081 from cnoeabs.peaks (8.39, 2.34, 35.84 ppm; 5.30 A): 3 out of 6 assignments used, quality = 0.92: * H ASN 24 + HG2 GLU 23 OK 88 100 - 88 - 4.1/1507=38, 70=38...(7) H ASN 14 + HG2 GLU 23 OK 21 100 - 20 - 4538/3.8=7, 4082/1.8=6...(4) H ASN 24 + HG3 GLU 58 OK 15 45 - 33 - 71/1.8=11, 70=10...(5) H ASN 52 - HG2 GLU 23 lone 3 71 - 4 - 4082/1.8=1 H ASN 14 - HG3 GLU 58 lone 2 45 - 5 - H ASN 52 - HG3 GLU 58 lone 2 26 - 6 - 1100/4.9=2, 5770/4.1=2 Peak 4082 from cnoeabs.peaks (8.39, 2.25, 35.84 ppm; 5.45 A): 3 out of 6 assignments used, quality = 0.93: * H ASN 24 + HG3 GLU 23 OK 88 100 - 88 - 4.1/1513=38, 71=35...(7) H ASN 24 + HG2 GLU 58 OK 23 62 - 38 - 71=12, 70/1.8=9...(7) H ASN 14 + HG3 GLU 23 OK 21 100 - 21 - 4538/3.8=7, 4081/1.8=7...(5) H ASN 52 - HG3 GLU 23 lone 4 71 - 6 - H ASN 14 - HG2 GLU 58 lone 3 62 - 4 - H ASN 52 - HG2 GLU 58 lone 3 37 - 7 - 1100/4.9=2, 5770/4.1=2 Peak 4083 from cnoeabs.peaks (6.84, 4.95, 52.06 ppm; 3.38 A): 1 out of 3 assignments used, quality = 0.93: * H VAL 25 + HA ASN 24 OK 93 100 - 93 - 3.6=85, 1076/2.9=21...(7) QE TYR 54 - HA ASN 24 lone 7 99 - 7 - 1076/2.9=3, 6.5/1521=1 HZ PHE 70 - HA ASN 24 lone 3 85 - 4 - 1076/2.9=1 Peak 4084 from cnoeabs.peaks (6.84, 2.91, 38.34 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + HB2 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 4085 from cnoeabs.peaks (6.84, 2.72, 38.34 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 25 + HB3 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 4086 from cnoeabs.peaks (7.30, 4.15, 61.58 ppm; 2.82 A): 1 out of 1 assignment used, quality = 0.74: * H THR 26 + HA VAL 25 OK 74 100 - 74 - 3.6=49, 4087/3.0=14...(7) Peak 4087 from cnoeabs.peaks (7.30, 1.99, 32.18 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.93: * H THR 26 + HB VAL 25 OK 93 100 - 93 - 4.4=62, 4086/3.0=37...(10) H THR 26 - HB2 LYS 77 poor 9 87 - 11 - 80=4, 5784/4907=1 Peak 4088 from cnoeabs.peaks (7.30, 0.79, 21.07 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.98: * H THR 26 + QG1 VAL 25 OK 98 100 - 98 - 4.3=84, 4086/3.2=38...(10) Peak 4089 from cnoeabs.peaks (7.30, 0.82, 22.47 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.92: * H THR 26 + QG2 VAL 25 OK 90 100 - 90 - 4.3=56, 4086/3.2=31...(10) H THR 26 + QG1 VAL 30 OK 21 64 - 34 - 5065/2.1=14, 5055/3.9=11...(6) Peak 4090 from cnoeabs.peaks (9.07, 4.72, 58.37 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 27 + HA THR 26 OK 100 100 - 100 - 3.6=100 Peak 4091 from cnoeabs.peaks (9.07, 4.68, 72.73 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.85: * H ILE 27 + HB THR 26 OK 85 100 - 85 - 4.4=54, 4092/2.1=31...(14) Peak 4092 from cnoeabs.peaks (9.07, 1.26, 21.58 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.95: * H ILE 27 + QG2 THR 26 OK 95 100 - 95 - 4.0=83, 4091/2.1=37...(9) Peak 4093 from cnoeabs.peaks (8.80, 3.51, 65.32 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + HA ILE 27 OK 100 100 - 100 - 3.6=100 Peak 4094 from cnoeabs.peaks (8.80, 1.87, 37.41 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 28 + HB ILE 27 OK 86 100 - 86 - 4.4=49, 87/4.0=21...(12) H ILE 16 + HB ILE 27 OK 25 95 - 26 - 4095/2.1=6, 4097/2.8=5...(8) H ASN 43 + HB ILE 27 OK 18 99 - 18 - 4095/2.1=5, 4097/2.8=4...(5) Peak 4095 from cnoeabs.peaks (8.80, 0.93, 16.99 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 28 + QG2 ILE 27 OK 96 100 - 96 - 4.3=63, 3.6/1581=26...(19) H ILE 16 - QG2 ILE 27 OK 28 95 - 30 - 4094/2.1=7, 4097/3.2=5...(7) H ASN 43 - QG2 ILE 27 OK 24 99 - 24 - 4094/2.1=5, 4098/2.8=4...(8) Peak 4096 from cnoeabs.peaks (8.80, 1.66, 28.79 ppm; 4.26 A): 3 out of 27 assignments used, quality = 0.95: * H GLU 28 + HG12 ILE 27 OK 89 100 - 89 - 87/4.6=26, 4094/2.8=26...(11) H ILE 16 + HG12 ILE 27 OK 37 95 - 39 - 4097/1.8=9, 4098/2.1=8...(9) H ASN 43 + HG12 ILE 27 OK 27 99 - 27 - 4097/1.8=6, 4098/2.1=6...(6) H GLU 28 - HD2 LYS 44 OK 11 46 - 24 - 4988/3.0=4, 91=4...(9) H GLU 28 - HD3 LYS 44 OK 10 43 - 24 - 4988/3.0=4, 91=4...(9) H ILE 16 - HG12 ILE 40 poor 8 51 - 16 - 620/3.2=4, 4572/6138=3...(6) H GLU 28 - HG12 ILE 40 poor 6 58 - 10 - 3.6/1570=4, 91=2, 4.7/683=2 H GLU 28 - HD2 LYS 94 lone 5 70 - 6 - 91=1, 91/1.8=1 H GLU 28 - HD3 LYS 94 lone 5 70 - 6 - 91=1, 91/1.8=1 H ILE 16 - HD2 LYS 94 lone 4 61 - 6 - ~3875=1 H ILE 16 - HD3 LYS 94 lone 4 61 - 6 - ~3875=1 H GLU 28 - HD3 LYS 61 lone 4 64 - 6 - H GLU 28 - HD2 LYS 61 lone 4 64 - 6 - H GLU 28 - HD3 LYS 63 lone 3 63 - 5 - 89/3.9=1 H ASN 43 - HG12 ILE 40 lone 3 56 - 5 - 4.6/180=1 H ILE 16 - HD3 LYS 63 lone 3 55 - 5 - 4577/1.8=2 H ASN 43 - HD2 LYS 94 lone 2 67 - 3 - 4.2/5493=1, 4.7/5489=1 H ASN 43 - HD3 LYS 94 lone 2 67 - 3 - 4.2/5493=1, 4.7/5489=1 H ASN 43 - HD2 LYS 44 lone 2 44 - 5 - 4.2/5493=2, 4.7/5489=2 H ASN 43 - HD3 LYS 44 lone 2 41 - 5 - 4.2/5493=2, 4.7/5489=1 H ILE 16 - HD3 LYS 61 lone 2 56 - 3 - H ILE 16 - HD2 LYS 61 lone 2 56 - 3 - H ILE 16 - HD2 LYS 44 lone 2 39 - 4 - H ILE 16 - HD3 LYS 44 lone 2 37 - 4 - H ASN 43 - HD2 LYS 61 lone 1 61 - 2 - H ASN 43 - HD3 LYS 61 lone 1 61 - 2 - H ASN 43 - HD3 LYS 63 lone 1 61 - 2 - Peak 4097 from cnoeabs.peaks (8.80, 1.16, 28.79 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.97: * H GLU 28 + HG13 ILE 27 OK 94 100 - 94 - 3.6/1595=34, 87/4.6=32...(16) H ILE 16 + HG13 ILE 27 OK 49 95 - 51 - 4098/2.1=9, 4094/2.8=8...(15) H ASN 43 - HG13 ILE 27 OK 34 99 - 35 - 4098/2.1=7, 4095/3.2=6...(9) Peak 4098 from cnoeabs.peaks (8.80, 0.95, 12.61 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 28 + QD1 ILE 27 OK 96 100 - 97 - 3.6/1602=32, 87/5.0=28...(21) H ILE 16 - QD1 ILE 27 OK 43 95 - 45 - 4097/2.1=10, 4095/2.8=8...(11) H ASN 43 - QD1 ILE 27 OK 33 99 - 33 - 4097/2.1=7, 4095/2.8=7...(7) Peak 4099 from cnoeabs.peaks (8.23, 3.98, 60.18 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H SER 29 + HA GLU 28 OK 100 100 - 100 - 3.6=100 Peak 4100 from cnoeabs.peaks (8.23, 2.08, 28.54 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.96: * H SER 29 + HB2 GLU 28 OK 96 100 - 96 - 4.4=80, 4101/1.8=25...(11) H ASP 12 - HB2 GLU 28 OK 16 100 - 16 - 4101/1.8=5, 4103/3.0=4...(4) H GLY 20 - HB2 GLU 28 OK 14 90 - 15 - 4101/1.8=5, 1080/3.7=4...(4) Peak 4101 from cnoeabs.peaks (8.23, 1.98, 28.54 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.97: * H SER 29 + HB3 GLU 28 OK 97 100 - 97 - 4.4=81, 96/1.8=37...(12) H GLY 20 - HB3 GLU 28 OK 19 90 - 21 - 49=5, 4100/1.8=4...(6) H ASP 12 - HB3 GLU 28 OK 18 100 - 17 - 4100/1.8=5, 4103/3.0=4...(4) H SER 29 - HG3 PRO 74 lone 5 81 - 6 - 97=1 H GLY 20 - HG3 PRO 74 lone 3 67 - 5 - 49=1 H ASP 12 - HG3 PRO 74 lone 1 81 - 2 - Peak 4102 from cnoeabs.peaks (8.23, 2.26, 36.84 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.94: * H SER 29 + HG2 GLU 28 OK 94 100 - 94 - 99/1.8=40, 96/3.0=37...(12) H ASP 12 - HG2 GLU 28 OK 21 100 - 20 - 4103/1.8=7, 4100/3.0=5...(4) H GLY 20 - HG2 GLU 28 OK 17 90 - 19 - 4101/3.0=5, 4103/1.8=5...(4) Peak 4103 from cnoeabs.peaks (8.23, 2.47, 36.84 ppm; 4.55 A): 3 out of 3 assignments used, quality = 0.94: * H SER 29 + HG3 GLU 28 OK 91 100 - 92 - 99=44, 96/3.0=34...(12) H ASP 12 + HG3 GLU 28 OK 18 100 - 18 - 4102/1.8=6, 4100/3.0=5...(4) H GLY 20 + HG3 GLU 28 OK 15 90 - 16 - 4101/3.0=5, 4102/1.8=5...(4) Peak 4104 from cnoeabs.peaks (7.97, 4.38, 61.01 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 30 + HA SER 29 OK 100 100 - 100 - 3.6=100 Peak 4105 from cnoeabs.peaks (7.97, 4.01, 62.58 ppm; 4.38 A): 2 out of 14 assignments used, quality = 0.95: * H VAL 30 + HB2 SER 29 OK 94 100 - 94 - 4.6=85, 103/1.8=27...(10) H PHE 34 + HB2 SER 29 OK 15 92 - 17 - 4106/1.8=5, 1081/4.0=4...(4) H GLY 22 - HB2 SER 29 poor 8 71 - 11 - 4846/4.0=3, 4106/1.8=2 H ASP 81 - HB2 SER 29 lone 8 92 - 8 - 4106/1.8=2, 1081/4.0=2 HE21 GLN 19 - HB2 SER 29 lone 7 78 - 9 - 1081/4.0=2, 4106/1.8=2...(5) H VAL 30 - HB3 SER 89 lone 7 77 - 9 - 102=2, 4865/4849=1 H LYS 63 - HB2 SER 29 lone 4 71 - 6 - 4106/1.8=1 H ASP 84 - HB2 SER 29 lone 4 83 - 5 - 1081/4.0=1, 4106/1.8=1 H ASP 81 - HB3 SER 89 lone 2 65 - 4 - 1198/3.0=2 H PHE 34 - HB3 SER 89 lone 2 65 - 3 - H GLY 22 - HB3 SER 89 lone 2 47 - 4 - 4841/6735=1 H ASP 84 - HB3 SER 89 lone 1 57 - 2 - HE21 GLN 19 - HB3 SER 89 lone 1 53 - 1 - H LYS 63 - HB3 SER 89 lone 1 47 - 2 - Peak 4106 from cnoeabs.peaks (7.97, 4.08, 62.58 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.91: * H VAL 30 + HB3 SER 29 OK 89 100 - 89 - 4.6=77, 102/1.8=24...(7) H PHE 34 + HB3 SER 29 OK 18 92 - 20 - 8.2/7069=7, 4105/1.8=4...(5) H ASP 81 - HB3 SER 29 lone 6 92 - 7 - 4105/1.8=2, 1081/4.0=2 H GLY 22 - HB3 SER 29 lone 6 71 - 9 - 4846/4.0=3, 4105/1.8=2 HE21 GLN 19 - HB3 SER 29 lone 6 78 - 7 - 1081/4.0=2, 4105/1.8=2 H LYS 63 - HB3 SER 29 lone 4 71 - 5 - 4105/1.8=1 H ASP 84 - HB3 SER 29 lone 3 83 - 4 - 1081/4.0=1 Peak 4107 from cnoeabs.peaks (8.70, 3.75, 66.89 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA VAL 30 OK 100 100 - 100 - 3.6=100 Peak 4108 from cnoeabs.peaks (8.70, 2.19, 31.35 ppm; 3.54 A): 4 out of 8 assignments used, quality = 0.90: * H ALA 31 + HB VAL 30 OK 82 100 - 82 - 4.4=51, 1082/4.0=15...(18) H ILE 40 + HB VAL 30 OK 24 99 - 25 - 1082/4.0=5, 4109/2.1=4...(7) H GLN 19 + HB VAL 30 OK 17 83 - 21 - 4.6/5072=4, 4109/2.1=4...(6) H LYS 41 + HB VAL 30 OK 11 65 - 17 - 4110/2.1=2, ~5470=2...(8) H ALA 31 - HB3 PRO 92 lone 4 62 - 6 - 106=1 H ILE 40 - HB3 PRO 92 lone 1 59 - 2 - 4.7/5445=1 H GLN 19 - HB3 PRO 92 lone 1 44 - 3 - H LYS 41 - HB3 PRO 92 lone 1 33 - 2 - Peak 4109 from cnoeabs.peaks (8.70, 0.85, 24.20 ppm; 4.13 A): 1 out of 8 assignments used, quality = 0.99: * H ALA 31 + QG2 VAL 30 OK 99 100 - 99 - 4.2=93, 106/2.1=25...(22) H ILE 40 - QG2 VAL 30 OK 31 99 - 31 - 4108/2.1=7, 1082/3.9=6...(5) H GLN 19 - QG2 VAL 30 OK 25 83 - 30 - 4108/2.1=5, 4.6/5073=4...(9) H LYS 41 - QG2 VAL 30 OK 15 65 - 22 - 4108/2.1=3, ~5470=3...(6) H ALA 31 - QD2 LEU 62 poor 8 53 - 14 - 108=2, 4.6/700=1...(4) H ILE 40 - QD2 LEU 62 lone 4 51 - 7 - 162/2.1=1, 4.7/7100=1 H GLN 19 - QD2 LEU 62 lone 2 38 - 6 - 4731/3.1=1 H LYS 41 - QD2 LEU 62 lone 2 28 - 6 - Peak 4110 from cnoeabs.peaks (8.70, 0.84, 22.51 ppm; 4.04 A): 1 out of 8 assignments used, quality = 0.97: * H ALA 31 + QG1 VAL 30 OK 97 100 - 97 - 4.2=86, 106/2.1=24...(22) H ILE 40 - QG1 VAL 30 OK 29 99 - 29 - 4108/2.1=7, 1082/3.9=6...(7) H GLN 19 - QG1 VAL 30 OK 21 83 - 26 - 4108/2.1=5, 4.6/5074=5...(7) H LYS 41 - QG1 VAL 30 OK 16 65 - 24 - 4108/2.1=3, ~5470=3...(9) H ALA 31 - QG2 VAL 25 OK 11 64 - 17 - 5084/2.1=3, 3.6/1654=2...(7) H ILE 40 - QG2 VAL 25 lone 4 61 - 7 - 762=1, 4.7/2042=1 H GLN 19 - QG2 VAL 25 lone 3 46 - 7 - 4.6/5074=1, 641/2.1=1 H LYS 41 - QG2 VAL 25 lone 2 34 - 6 - Peak 4111 from cnoeabs.peaks (8.31, 3.89, 55.52 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 32 + HA ALA 31 OK 100 100 - 100 - 3.6=100 Peak 4112 from cnoeabs.peaks (8.31, 1.46, 17.52 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.91: * H ASP 32 + QB ALA 31 OK 90 100 - 90 - 3.5=75, 1083/2.9=19...(14) H LYS 45 + QB ALA 31 OK 16 100 - 16 - 1083/2.9=3, 3.6/4414=3...(5) H GLY 64 - QB ALA 31 lone 8 87 - 10 - 1083/2.9=3, 4423/5.0=2 Peak 4113 from cnoeabs.peaks (7.53, 4.30, 56.98 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 33 + HA ASP 32 OK 100 100 - 100 - 3.6=100 Peak 4114 from cnoeabs.peaks (7.53, 2.75, 40.87 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.84: * H TYR 33 + HB2 ASP 32 OK 81 100 - 81 - 4.5=56, 115/1.8=28...(10) H GLN 36 + HB2 ASP 32 OK 16 73 - 22 - 4115/1.8=5, 1084/3.9=5...(7) QD PHE 83 - HB2 ASP 32 poor 7 63 - 11 - 4.4/6601=2, 1084/3.9=2...(4) Peak 4115 from cnoeabs.peaks (7.53, 2.62, 40.87 ppm; 3.69 A): 3 out of 6 assignments used, quality = 0.90: * H TYR 33 + HB3 ASP 32 OK 85 100 - 85 - 4.5=53, 4114/1.8=28...(9) H TYR 33 + HB3 ASP 12 OK 18 98 - 18 - 115=8, 3.0/5165=3...(5) H GLN 36 + HB3 ASP 32 OK 18 73 - 25 - 4114/1.8=5, 4.6/5131=5...(8) QD PHE 83 - HB3 ASP 32 lone 6 63 - 9 - 4114/1.8=2, 1084/3.9=2, ~4802=2 QD PHE 83 - HB3 ASP 12 lone 2 59 - 4 - 4800/3.0=2 H GLN 36 - HB3 ASP 12 lone 2 69 - 3 - Peak 4116 from cnoeabs.peaks (7.99, 4.20, 60.73 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 34 + HA TYR 33 OK 100 100 - 100 - 3.6=100 Peak 4117 from cnoeabs.peaks (7.99, 3.09, 39.80 ppm; 4.00 A): 2 out of 5 assignments used, quality = 0.99: * H PHE 34 + HB2 TYR 33 OK 97 100 - 97 - 4.3=80, 119/1.8=43...(9) H VAL 30 + HB2 TYR 33 OK 66 92 - 72 - 3.0/4425=19, ~4427=18...(13) H LYS 63 - HB2 TYR 33 OK 16 97 - 16 - 4118/1.8=4, 4.7/5143=4...(4) H GLY 22 - HB2 TYR 33 OK 12 97 - 12 - 4118/1.8=3, 4665/2.5=2...(4) H LYS 86 - HB2 TYR 33 lone 3 73 - 4 - Peak 4118 from cnoeabs.peaks (7.99, 2.82, 39.80 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.98: * H PHE 34 + HB3 TYR 33 OK 94 100 - 95 - 4.3=70, 118/1.8=34...(10) H VAL 30 + HB3 TYR 33 OK 65 92 - 71 - 3.0/4427=25, ~5056=12...(12) H LYS 63 - HB3 TYR 33 OK 20 97 - 21 - 4.7/5144=4, 3.9/7107=3...(7) H GLY 22 - HB3 TYR 33 OK 12 97 - 12 - 4117/1.8=2, 4665/2.5=2 H LYS 86 - HB3 TYR 33 lone 3 73 - 4 - Peak 4122 from cnoeabs.peaks (8.35, 4.33, 61.55 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 35 + HA PHE 34 OK 100 100 - 100 - 3.5=100 Peak 4123 from cnoeabs.peaks (8.35, 3.41, 39.73 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 35 + HB2 PHE 34 OK 100 100 - 100 - 4.2=100 Peak 4124 from cnoeabs.peaks (8.35, 2.77, 39.73 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 35 + HB3 PHE 34 OK 100 100 - 100 - 4.2=100 Peak 4128 from cnoeabs.peaks (7.50, 4.91, 57.98 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 36 + HA LYS 35 OK 100 100 - 100 - 3.6=100 Peak 4129 from cnoeabs.peaks (7.50, 2.05, 31.03 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 36 + HB2 LYS 35 OK 100 100 - 100 - 4.6=100 Peak 4130 from cnoeabs.peaks (7.50, 2.16, 31.03 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 36 + HB3 LYS 35 OK 100 100 - 100 - 4.6=100 Peak 4131 from cnoeabs.peaks (7.50, 1.76, 23.83 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.97: * H GLN 36 + HG2 LYS 35 OK 97 100 - 97 - 4.9=70, 134/3.0=36...(14) H TYR 33 - HG2 LYS 35 OK 31 73 - 43 - 3.6/5236=16, 4.6/5190=9...(6) Peak 4132 from cnoeabs.peaks (7.50, 1.27, 23.83 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.95: * H GLN 36 + HG3 LYS 35 OK 95 100 - 96 - 4.9=64, 134/3.0=35...(12) H TYR 33 - HG3 LYS 35 OK 23 73 - 31 - 3.6/5121=12, 4131/1.8=9...(4) Peak 4134 from cnoeabs.peaks (7.50, 1.69, 29.74 ppm; 5.58 A): 1 out of 2 assignments used, quality = 0.96: * H GLN 36 + HD3 LYS 35 OK 96 100 - 96 - 134/3.6=40, 4132/3.0=36...(15) H TYR 33 - HD3 LYS 35 OK 31 73 - 43 - 3.6/5240=19, 4131/3.0=11...(4) Peak 4137 from cnoeabs.peaks (7.81, 4.13, 57.34 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + HA GLN 36 OK 100 100 - 100 - 3.5=100 Peak 4138 from cnoeabs.peaks (7.81, 2.11, 29.64 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + HB2 GLN 36 OK 100 100 - 100 - 4.6=100 Peak 4139 from cnoeabs.peaks (7.81, 2.01, 29.64 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 37 + HB3 GLN 36 OK 100 100 - 100 - 4.6=98, 144/1.8=37...(9) H THR 99 - HB3 GLN 36 OK 33 100 - 32 - 4140/3.0=9, 4141/3.0=9...(6) Peak 4140 from cnoeabs.peaks (7.81, 2.42, 33.99 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.97: * H ILE 37 + HG2 GLN 36 OK 97 100 - 97 - 146=39, 147/1.8=37...(15) H THR 99 - HG2 GLN 36 OK 44 100 - 44 - 4141/1.8=12, 4139/3.0=9...(10) Peak 4141 from cnoeabs.peaks (7.81, 2.30, 33.99 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.96: * H ILE 37 + HG3 GLN 36 OK 96 100 - 96 - 147=40, 146/1.8=35...(11) H THR 99 - HG3 GLN 36 OK 42 100 - 41 - 4140/1.8=12, 4139/3.0=9...(8) Peak 4142 from cnoeabs.peaks (7.34, 4.23, 58.08 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 38 + HA ILE 37 OK 100 100 - 100 - 3.6=100 Peak 4143 from cnoeabs.peaks (7.34, 1.85, 40.08 ppm; 3.99 A): 2 out of 8 assignments used, quality = 0.96: * H GLY 38 + HB ILE 37 OK 94 100 - 94 - 4.4=74, 150/3.9=25...(12) HZ2 TRP 82 + HB ILE 37 OK 36 100 - 36 - 4147/3.2=9, 4144/2.1=7...(6) QD PHE 97 - HB ILE 37 OK 23 100 - 23 - 4144/2.1=5, 1089/3.9=4...(7) QD PHE 97 - HB ILE 16 OK 23 62 - 38 - 4618/3.0=15, 4764/2.1=13...(6) H GLY 38 - HB ILE 16 OK 22 63 - 36 - 152=9, 153/2.1=7...(9) HD21 ASN 91 - HB ILE 37 lone 5 78 - 6 - HZ2 TRP 82 - HB ILE 16 lone 3 63 - 5 - 4618/3.0=2 HD21 ASN 91 - HB ILE 16 lone 1 42 - 3 - Peak 4144 from cnoeabs.peaks (7.34, 0.85, 19.06 ppm; 3.47 A): 5 out of 8 assignments used, quality = 0.94: * H GLY 38 + QG2 ILE 37 OK 83 100 - 83 - 4.4=50, 150/4.0=19...(12) HZ2 TRP 82 + QG2 ILE 37 OK 33 100 - 33 - 4147/3.3=7, ~6587=5...(9) QD PHE 97 + QG2 ILE 37 OK 22 100 - 21 - 4143/2.1=3, 1089/4.0=3...(8) QD PHE 97 + QG2 ILE 16 OK 18 55 - 33 - 4618/3.2=11, 4.9/7017=4...(10) H GLY 38 + QG2 ILE 16 OK 18 56 - 32 - 153=8, 152/2.1=6...(10) HZ2 TRP 82 - QG2 ILE 16 lone 4 56 - 7 - 4618/3.2=1, 5.0/4728=1 HD21 ASN 91 - QG2 ILE 37 lone 3 78 - 4 - HD21 ASN 91 - QG2 ILE 16 lone 1 37 - 2 - Peak 4145 from cnoeabs.peaks (7.34, 1.36, 29.44 ppm; 5.33 A): 2 out of 4 assignments used, quality = 0.99: * H GLY 38 + HG12 ILE 37 OK 96 100 - 96 - 154=38, 156/2.1=34...(16) HZ2 TRP 82 + HG12 ILE 37 OK 65 100 - 65 - 4147/2.1=17, ~6587=17...(9) QD PHE 97 - HG12 ILE 37 OK 29 100 - 28 - 4146/1.8=7, 4147/2.1=6...(5) HD21 ASN 91 - HG12 ILE 37 lone 7 78 - 8 - 4146/1.8=2, 4147/2.1=1...(4) Peak 4146 from cnoeabs.peaks (7.34, 1.18, 29.44 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.98: * H GLY 38 + HG13 ILE 37 OK 95 100 - 95 - 155=35, 154/1.8=35...(16) HZ2 TRP 82 + HG13 ILE 37 OK 68 100 - 69 - 5.0/5316=19, 4147/2.1=17...(9) QD PHE 97 - HG13 ILE 37 OK 31 100 - 31 - 4147/2.1=6, 4145/1.8=6...(6) HD21 ASN 91 - HG13 ILE 37 lone 7 78 - 8 - 4145/1.8=1, 4147/2.1=1...(4) Peak 4147 from cnoeabs.peaks (7.34, 0.35, 11.68 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.97: * H GLY 38 + QD1 ILE 37 OK 90 100 - 90 - 156=33, 3.6/1920=29...(15) HZ2 TRP 82 + QD1 ILE 37 OK 68 100 - 68 - 5.0/5315=18, 5.0/5309=13...(12) QD PHE 97 - QD1 ILE 37 OK 24 100 - 24 - 4144/3.3=4, 4146/2.1=4...(6) HD21 ASN 91 - QD1 ILE 37 lone 5 78 - 6 - Peak 4148 from cnoeabs.peaks (8.12, 3.92, 44.58 ppm; 3.31 A): 2 out of 5 assignments used, quality = 0.92: * H ILE 39 + HA2 GLY 38 OK 91 100 - 91 - 3.6=80, 4149/1.8=28...(8) H ALA 79 + HA2 GLY 38 OK 15 100 - 15 - 1090/3.0=4, 4149/1.8=4...(4) H GLU 23 - HA2 GLY 38 lone 9 100 - 9 - 4149/1.8=3, 1090/3.0=2 H ASN 13 - HA2 GLY 38 lone 2 76 - 3 - 1090/3.0=1 H VAL 68 - HA2 GLY 38 lone 2 57 - 4 - Peak 4149 from cnoeabs.peaks (8.12, 4.08, 44.58 ppm; 3.23 A): 2 out of 5 assignments used, quality = 0.90: * H ILE 39 + HA3 GLY 38 OK 89 100 - 89 - 3.6=74, 158/1.8=32...(10) H ALA 79 + HA3 GLY 38 OK 14 100 - 14 - 4148/1.8=4, 1090/3.0=4 H GLU 23 - HA3 GLY 38 lone 10 100 - 10 - 4148/1.8=3, 1090/3.0=2 H ASN 13 - HA3 GLY 38 lone 2 76 - 3 - H VAL 68 - HA3 GLY 38 lone 2 57 - 3 - Peak 4150 from cnoeabs.peaks (8.71, 4.09, 61.40 ppm; 2.85 A): 2 out of 3 assignments used, quality = 0.81: * H ILE 40 + HA ILE 39 OK 75 100 - 75 - 3.6=52, 4152/3.2=12...(13) H ALA 31 + HA ILE 39 OK 23 99 - 24 - 4152/3.2=5, 4154/3.8=4...(7) H GLN 19 - HA ILE 39 lone 8 95 - 8 - 4152/3.2=2, 1091/3.0=1...(5) Peak 4151 from cnoeabs.peaks (8.71, 1.82, 38.41 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HB ILE 39 OK 100 100 - 100 - 4.4=100 Peak 4152 from cnoeabs.peaks (8.71, 0.89, 17.20 ppm; 3.23 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 40 + QG2 ILE 39 OK 87 100 - 87 - 3.8=63, 4150/3.2=19...(13) H ALA 31 + QG2 ILE 39 OK 37 99 - 37 - 4150/3.2=6, 4154/3.2=6...(14) H GLN 19 + QG2 ILE 39 OK 14 95 - 14 - 43=4, 4150/3.2=2...(6) Peak 4153 from cnoeabs.peaks (8.71, 1.69, 27.57 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 40 + HG12 ILE 39 OK 86 100 - 87 - 4150/3.8=29, 4152/3.2=27...(12) H ALA 31 + HG12 ILE 39 OK 62 99 - 63 - 4154/1.8=15, 4155/2.1=14...(12) H GLN 19 - HG12 ILE 39 OK 20 95 - 20 - 4154/1.8=5, 4155/2.1=5...(5) Peak 4154 from cnoeabs.peaks (8.71, 1.28, 27.57 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.94: * H ILE 40 + HG13 ILE 39 OK 86 100 - 86 - 165=29, 3.8/1981=28...(10) H ALA 31 + HG13 ILE 39 OK 57 99 - 57 - 4153/1.8=13, 4155/2.1=12...(12) H GLN 19 - HG13 ILE 39 OK 18 95 - 18 - 4153/1.8=4, 4155/2.1=4...(5) Peak 4155 from cnoeabs.peaks (8.71, 0.91, 12.01 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.94: * H ILE 40 + QD1 ILE 39 OK 86 100 - 86 - 4152/3.0=27, 4150/4.1=25...(10) H ALA 31 + QD1 ILE 39 OK 58 99 - 59 - 4154/2.1=14, 4153/2.1=13...(12) H GLN 19 - QD1 ILE 39 OK 19 95 - 19 - 4152/3.0=4, 4154/2.1=4...(5) Peak 4156 from cnoeabs.peaks (8.68, 3.79, 61.01 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.87: * H LYS 41 + HA ILE 40 OK 83 100 - 83 - 3.6=60, 170/3.2=14...(13) H ALA 31 + HA ILE 40 OK 25 65 - 38 - 4158/3.2=7, 4157/3.0=6...(13) Peak 4157 from cnoeabs.peaks (8.68, 1.68, 37.87 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.95: * H LYS 41 + HB ILE 40 OK 90 100 - 90 - 4.5=60, 168/3.0=31...(10) H ALA 31 + HB ILE 40 OK 51 65 - 78 - 4158/2.1=14, 4160/3.0=10...(20) Peak 4158 from cnoeabs.peaks (8.68, 0.82, 16.23 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.91: * H LYS 41 + QG2 ILE 40 OK 84 100 - 84 - 4.1=46, 168/3.2=22...(19) H ALA 31 + QG2 ILE 40 OK 43 65 - 65 - 4157/2.1=9, 3.0/5413=8...(21) Peak 4159 from cnoeabs.peaks (8.68, 1.64, 28.46 ppm; 3.87 A): 3 out of 4 assignments used, quality = 0.93: * H LYS 41 + HG12 ILE 40 OK 83 100 - 83 - 172/1.8=31, 168/3.8=26...(17) H ALA 31 + HG12 ILE 40 OK 55 65 - 83 - ~5089=16, ~5091=15...(19) H ALA 31 + HG12 ILE 27 OK 13 31 - 42 - 1148/3.8=10, 5083/2.1=9...(9) H LYS 41 - HG12 ILE 27 lone 6 58 - 10 - 4.6/763=1, 171=1, 5456/5452=1 Peak 4160 from cnoeabs.peaks (8.68, 0.53, 28.46 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.96: * H LYS 41 + HG13 ILE 40 OK 90 100 - 90 - 172=42, 3.6/2009=30...(13) H ALA 31 + HG13 ILE 40 OK 57 65 - 87 - ~5089=18, 2.9/5092=18...(18) Peak 4162 from cnoeabs.peaks (8.47, 4.06, 57.23 ppm; 2.83 A): 4 out of 9 assignments used, quality = 0.90: * H THR 42 + HA LYS 41 OK 76 100 - 76 - 3.6=50, 174/3.0=9...(14) H ASP 71 + HA LYS 41 OK 37 81 - 47 - 6241/3.0=8, 6257/3.0=7...(17) H ASP 72 + HA LYS 41 OK 26 99 - 26 - 3.6/6251=5, 4.5/7082=4...(9) H THR 15 + HA LYS 41 OK 11 90 - 12 - 175=4, 177/3.0=1...(4) H PHE 83 - HA LYS 41 lone 5 99 - 5 - H LEU 21 - HA LYS 41 lone 4 100 - 4 - H ALA 98 - HA LYS 41 lone 4 100 - 4 - H ILE 93 - HA LYS 41 lone 4 92 - 4 - H TRP 82 - HA LYS 41 lone 3 78 - 4 - Peak 4163 from cnoeabs.peaks (8.47, 1.47, 33.42 ppm; 4.57 A): 3 out of 9 assignments used, quality = 1.00: * H THR 42 + HB2 LYS 41 OK 100 100 - 100 - 4.6=95, 175/3.0=38...(17) H ASP 71 + HB2 LYS 41 OK 73 81 - 90 - ~6263=24, 6257/1.8=23...(23) H ASP 72 + HB2 LYS 41 OK 52 99 - 53 - 3.6/5475=10, 4164/1.8=8...(13) H THR 15 - HB2 LYS 41 OK 31 90 - 34 - 177/1.8=4, 175/3.0=3...(12) H ALA 98 - HB2 LYS 41 OK 17 100 - 17 - 4.6/6957=3, 2.9/7015=2...(5) H PHE 83 - HB2 LYS 41 OK 17 99 - 17 - 4164/1.8=2, 379/4.8=2...(6) H LEU 21 - HB2 LYS 41 OK 14 100 - 13 - 4164/1.8=2, 4162/3.0=1 H ILE 93 - HB2 LYS 41 OK 11 92 - 12 - 4164/1.8=1, 1028/3.0=1...(4) H TRP 82 - HB2 LYS 41 poor 9 78 - 12 - 6576/3.0=3, 4164/1.8=1 Peak 4164 from cnoeabs.peaks (8.47, 1.20, 33.42 ppm; 4.58 A): 3 out of 9 assignments used, quality = 1.00: * H THR 42 + HB3 LYS 41 OK 100 100 - 100 - 4.6=96, 175/3.0=38...(18) H ASP 71 + HB3 LYS 41 OK 74 81 - 92 - 3.0/6263=35, 6257=27...(22) H ASP 72 + HB3 LYS 41 OK 70 99 - 71 - 3.6/6263=31, 4.6/6257=17...(12) H THR 15 - HB3 LYS 41 OK 29 90 - 32 - 177=5, 4163/1.8=4...(11) H PHE 83 - HB3 LYS 41 OK 21 99 - 21 - 4.3/2075=3, 379/4.8=2...(8) H ALA 98 - HB3 LYS 41 OK 15 100 - 15 - 4163/1.8=2, ~7015=1...(4) H LEU 21 - HB3 LYS 41 OK 14 100 - 14 - 3.6/7084=2, 4163/1.8=2...(4) H TRP 82 - HB3 LYS 41 OK 13 78 - 17 - 4.0/2075=4, 6576/3.0=3...(5) H ILE 93 - HB3 LYS 41 OK 11 92 - 11 - 4163/1.8=1, 1028/3.0=1 Peak 4165 from cnoeabs.peaks (8.47, 1.40, 24.75 ppm; 3.76 A): 3 out of 36 assignments used, quality = 0.95: * H THR 42 + HG2 LYS 41 OK 80 100 - 80 - 178=26, 175/4.0=23...(12) H ASP 71 + HG2 LYS 41 OK 56 81 - 69 - 3.0/6262=18, 6257/3.0=13...(18) H ASP 72 + HG2 LYS 41 OK 40 99 - 40 - 3.6/6262=15, 4164/3.0=4...(11) H THR 15 - HG2 LYS 41 OK 21 90 - 23 - 178=4, 179/1.8=3...(10) H PHE 83 - HG2 LYS 41 OK 19 99 - 19 - 4.3/6569=3, 4.6/6576=2...(8) H THR 42 - HG3 LYS 45 OK 16 88 - 18 - 178=5, 179/1.8=4...(5) H TRP 82 - HG2 LYS 41 OK 14 78 - 17 - 6576=4, 4.0/6569=3...(5) H ALA 98 - HG2 LYS 41 lone 8 100 - 8 - 4163/3.0=1 H LEU 21 - HG2 LYS 41 lone 8 100 - 8 - H PHE 83 - HG3 LYS 45 lone 7 85 - 8 - 4.3/6569=1, 4.6/6576=1 H TRP 82 - HG3 LYS 45 poor 6 62 - 10 - 6576=2, 4.4/6553=2...(4) H ILE 93 - HG2 LYS 41 lone 6 92 - 6 - 1028/1.8=1 H ASP 72 - HG3 LYS 45 lone 6 86 - 7 - 3.6/6262=2 H ASP 71 - HG3 LYS 45 lone 6 64 - 9 - 3.0/6262=3, 3.9/7121=1 H THR 42 - HG2 LYS 61 lone 5 60 - 9 - 178=2, 7049/3.9=1...(5) H THR 42 - HG3 LYS 61 lone 5 57 - 9 - 178=2, 178/1.8=1...(4) H ASP 71 - HG2 LYS 61 lone 3 41 - 7 - 3.0/6262=2, 3.9/7121=1 H ASP 71 - HG3 LYS 61 lone 3 39 - 7 - 3.0/6262=2, 3.9/7121=1 H ASP 72 - HG2 LYS 61 lone 3 58 - 5 - 3.6/6262=1, 4.5/7121=1 H PHE 83 - HG2 LYS 61 lone 3 57 - 5 - H ASP 72 - HG3 LYS 61 lone 2 55 - 4 - 3.6/6262=1, 4.5/7121=1 H PHE 83 - HG3 LYS 61 lone 2 54 - 4 - H TRP 82 - HG2 LYS 61 lone 2 40 - 5 - H TRP 82 - HG3 LYS 61 lone 2 38 - 5 - H LEU 21 - HG3 LYS 45 lone 2 87 - 2 - H THR 15 - HG3 LYS 45 lone 2 74 - 2 - H ALA 98 - HG3 LYS 45 lone 1 87 - 2 - H ILE 93 - HG3 LYS 45 lone 1 76 - 1 - H ALA 98 - HG2 LYS 61 lone 1 59 - 2 - H ALA 98 - HG3 LYS 61 lone 1 56 - 2 - H LEU 21 - HG2 LYS 61 lone 1 59 - 1 - H THR 15 - HG2 LYS 61 lone 1 48 - 2 - H LEU 21 - HG3 LYS 61 lone 1 56 - 1 - H THR 15 - HG3 LYS 61 lone 1 46 - 2 - H ILE 93 - HG2 LYS 61 lone 1 50 - 1 - H ILE 93 - HG3 LYS 61 lone 1 47 - 1 - Peak 4166 from cnoeabs.peaks (8.47, 1.51, 24.75 ppm; 3.70 A): 3 out of 27 assignments used, quality = 0.96: * H THR 42 + HG3 LYS 41 OK 79 100 - 79 - 179=26, 175/4.0=22...(12) H ASP 71 + HG3 LYS 41 OK 56 81 - 70 - 6257/3.0=12, ~6262=11...(20) H ILE 93 + HG13 ILE 93 OK 55 69 - 80 - 4.9=44, 1027/1.8=23...(9) H ASP 72 - HG3 LYS 41 OK 37 99 - 38 - 3.6/6261=9, 4165/1.8=4...(13) H LEU 21 - HG13 ILE 93 OK 35 80 - 43 - ~6835=8, 3816/3.2=7...(9) H PHE 83 - HG13 ILE 93 OK 31 78 - 40 - 3.0/6617=9, ~6822=7...(11) H THR 15 - HG3 LYS 41 OK 20 90 - 22 - 179=4, 178/1.8=3...(10) H THR 42 - HG2 LYS 45 OK 16 86 - 18 - 179=5, 3.6/2051=4...(5) H PHE 83 - HG3 LYS 41 OK 13 99 - 13 - 4165/1.8=2, 379/3.8=2...(6) H LEU 21 - HG3 LYS 41 lone 9 100 - 8 - H THR 42 - HG13 ILE 93 poor 8 81 - 10 - 179=3, 3.6/2051=1, 4.6/771=1 H ILE 93 - HG3 LYS 41 lone 8 92 - 8 - 1028=1 H ALA 98 - HG3 LYS 41 lone 7 100 - 7 - 4163/3.0=1 H TRP 82 - HG3 LYS 41 lone 6 78 - 8 - 6576/1.8=3, 968/3.8=1 H ASP 71 - HG2 LYS 45 lone 5 63 - 9 - ~6262=2, 3.0/5481=1 H ALA 98 - HG13 ILE 93 lone 5 80 - 6 - 3837/2.1=1, 3816/3.2=1 H ASP 72 - HG2 LYS 45 lone 5 84 - 6 - 3.6/5481=1 H PHE 83 - HG2 LYS 45 lone 4 83 - 5 - H THR 15 - HG13 ILE 93 lone 3 67 - 5 - H ASP 72 - HG13 ILE 93 lone 3 79 - 4 - H ASP 71 - HG13 ILE 93 lone 3 58 - 5 - H ILE 93 - HG2 LYS 45 lone 2 74 - 3 - H LEU 21 - HG2 LYS 45 lone 2 85 - 2 - H TRP 82 - HG2 LYS 45 lone 2 61 - 3 - 6576/1.8=2 H THR 15 - HG2 LYS 45 lone 1 72 - 2 - H ALA 98 - HG2 LYS 45 lone 1 85 - 1 - H TRP 82 - HG13 ILE 93 lone 1 56 - 2 - Peak 4167 from cnoeabs.peaks (8.47, 1.63, 29.58 ppm; 4.97 A): 6 out of 18 assignments used, quality = 1.00: * H THR 42 + HD2 LYS 41 OK 88 100 - 88 - 175/5.4=26, 179/3.0=24...(12) H THR 42 + HD3 LYS 41 OK 88 100 - 88 - 175/5.4=26, 179/3.0=24...(12) H ASP 71 + HD2 LYS 41 OK 73 81 - 91 - 6257/3.8=18, 3.0/6260=16...(26) H ASP 71 + HD3 LYS 41 OK 73 81 - 91 - 6257/3.8=18, 3.0/6260=16...(26) H ASP 72 + HD3 LYS 41 OK 55 99 - 56 - 3.6/6260=14, 4.5/6267=9...(13) H ASP 72 + HD2 LYS 41 OK 55 99 - 56 - 3.6/6260=14, 4.5/6267=9...(13) H THR 15 - HD3 LYS 41 OK 37 90 - 41 - 4563/1.8=5, 4563=4...(16) H THR 15 - HD2 LYS 41 OK 37 90 - 41 - 4563/1.8=5, 4563=4...(16) H PHE 83 - HD3 LYS 41 OK 19 99 - 19 - 379/3.0=4, 4165/3.0=2...(7) H PHE 83 - HD2 LYS 41 OK 19 99 - 19 - 379/3.0=4, 4165/3.0=2...(7) H LEU 21 - HD2 LYS 41 OK 14 100 - 13 - 4163/3.8=1, 4164/3.8=1...(5) H LEU 21 - HD3 LYS 41 OK 14 100 - 13 - 4163/3.8=1, 4164/3.8=1...(5) H ALA 98 - HD3 LYS 41 OK 12 100 - 12 - 4163/3.8=2, 4164/3.8=1...(5) H ALA 98 - HD2 LYS 41 OK 12 100 - 12 - 4163/3.8=2, 4164/3.8=1...(5) H TRP 82 - HD3 LYS 41 poor 10 78 - 12 - 6576/3.0=4, 968/3.0=2 H TRP 82 - HD2 LYS 41 poor 10 78 - 12 - 6576/3.0=4, 968/3.0=2 H ILE 93 - HD2 LYS 41 lone 10 92 - 10 - 1028/3.0=1, 4163/3.8=1 H ILE 93 - HD3 LYS 41 lone 10 92 - 10 - 1028/3.0=1, 4163/3.8=1 Peak 4168 from cnoeabs.peaks (8.47, 1.63, 29.58 ppm; 4.97 A): 6 out of 18 assignments used, quality = 1.00: H THR 42 + HD2 LYS 41 OK 88 100 - 88 - 175/5.4=26, 179/3.0=24...(12) * H THR 42 + HD3 LYS 41 OK 88 100 - 88 - 175/5.4=26, 179/3.0=24...(12) H ASP 71 + HD2 LYS 41 OK 73 81 - 91 - 6257/3.8=18, 3.0/6260=16...(26) H ASP 71 + HD3 LYS 41 OK 73 81 - 91 - 6257/3.8=18, 3.0/6260=16...(26) H ASP 72 + HD3 LYS 41 OK 55 99 - 56 - 3.6/6260=14, 4.5/6267=9...(13) H ASP 72 + HD2 LYS 41 OK 55 99 - 56 - 3.6/6260=14, 4.5/6267=9...(13) H THR 15 - HD3 LYS 41 OK 37 90 - 41 - 4563/1.8=5, 4563=4...(16) H THR 15 - HD2 LYS 41 OK 37 90 - 41 - 4563/1.8=5, 4563=4...(16) H PHE 83 - HD3 LYS 41 OK 19 99 - 19 - 379/3.0=4, 4165/3.0=2...(7) H PHE 83 - HD2 LYS 41 OK 19 99 - 19 - 379/3.0=4, 4165/3.0=2...(7) H LEU 21 - HD2 LYS 41 OK 14 100 - 13 - 4163/3.8=1, 4164/3.8=1...(5) H LEU 21 - HD3 LYS 41 OK 14 100 - 13 - 4163/3.8=1, 4164/3.8=1...(5) H ALA 98 - HD3 LYS 41 OK 12 100 - 12 - 4163/3.8=2, 4164/3.8=1...(5) H ALA 98 - HD2 LYS 41 OK 12 100 - 12 - 4163/3.8=2, 4164/3.8=1...(5) H TRP 82 - HD3 LYS 41 poor 10 78 - 12 - 6576/3.0=4, 968/3.0=2 H TRP 82 - HD2 LYS 41 poor 10 78 - 12 - 6576/3.0=4, 968/3.0=2 H ILE 93 - HD2 LYS 41 lone 10 92 - 10 - 1028/3.0=1, 4163/3.8=1 H ILE 93 - HD3 LYS 41 lone 10 92 - 10 - 1028/3.0=1, 4163/3.8=1 Peak 4170 from cnoeabs.peaks (8.47, 3.09, 41.56 ppm; 5.30 A): 3 out of 9 assignments used, quality = 0.97: * H THR 42 + HE3 LYS 41 OK 86 100 - 86 - 7049/1.8=26, 3.6/2127=25...(9) H ASP 71 + HE3 LYS 41 OK 62 81 - 78 - 3.0/6259=24, 6257/4.8=17...(14) H ASP 72 + HE3 LYS 41 OK 47 99 - 48 - 3.6/6259=22, 4164/4.8=6...(10) H THR 15 - HE3 LYS 41 OK 26 90 - 28 - 4563/3.0=5, 4563/3.0=5...(9) H PHE 83 - HE3 LYS 41 OK 21 99 - 21 - 379=5, 4.6/968=2...(8) H TRP 82 - HE3 LYS 41 OK 15 78 - 19 - 6576/3.8=3, 4.6/379=3...(6) H LEU 21 - HE3 LYS 41 OK 11 100 - 10 - 4163/4.8=1, 4164/4.8=1 H ALA 98 - HE3 LYS 41 OK 10 100 - 10 - 4163/4.8=2, 4164/4.8=1 H ILE 93 - HE3 LYS 41 lone 9 92 - 9 - 1028/3.8=1, 4163/4.8=1 Peak 4171 from cnoeabs.peaks (8.81, 4.38, 60.77 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 43 + HA THR 42 OK 100 100 - 100 - 3.6=100 Peak 4172 from cnoeabs.peaks (8.81, 3.73, 70.24 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.84: * H ASN 43 + HB THR 42 OK 81 100 - 81 - 4.7=52, 4173/2.1=30...(8) H GLU 28 + HB THR 42 OK 14 99 - 14 - 4173/2.1=6, ~5498=4...(4) H ILE 16 - HB THR 42 lone 8 99 - 8 - 4173/2.1=3, 1094/4.0=2 Peak 4173 from cnoeabs.peaks (8.81, 0.88, 21.14 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.86: * H ASN 43 + QG2 THR 42 OK 83 100 - 83 - 4.2=51, 186/2.1=22...(11) H GLU 28 + QG2 THR 42 OK 16 99 - 16 - 2.9/5498=6, 4172/2.1=4 H ILE 16 - QG2 THR 42 lone 8 99 - 8 - 4172/2.1=2, 1094/4.0=2 Peak 4174 from cnoeabs.peaks (8.31, 3.99, 57.96 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 45 + HA LYS 44 OK 100 100 - 100 - 3.6=100 Peak 4175 from cnoeabs.peaks (8.31, 1.86, 32.01 ppm; 5.03 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 45 + HB2 LYS 44 OK 100 100 - 100 - 4.6=100 H LYS 45 + HB3 LYS 44 OK 100 100 - 100 - 4.6=100 Peak 4176 from cnoeabs.peaks (8.31, 1.86, 32.01 ppm; 5.03 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 45 + HB3 LYS 44 OK 100 100 - 100 - 4.6=100 H LYS 45 + HB2 LYS 44 OK 100 100 - 100 - 4.6=100 Peak 4179 from cnoeabs.peaks (8.31, 1.68, 28.46 ppm; 6.20 A): 4 out of 33 assignments used, quality = 1.00: * H LYS 45 + HD2 LYS 44 OK 79 100 - 79 - 192/3.0=33, 189/3.8=18...(15) H LYS 45 + HD3 LYS 44 OK 79 100 - 79 - 192/3.0=33, 189/3.8=18...(17) H LYS 45 + HD3 LYS 45 OK 72 72 - 100 - 6.3=96, 790/2.9=31...(26) H LYS 45 + HD2 LYS 45 OK 66 66 - 100 - 6.3=96, 790/2.9=31...(26) H GLY 64 - HD3 LYS 63 OK 42 58 - 72 - 289/5.0=30, 4261/3.9=20...(10) H LYS 45 - HD3 LYS 61 OK 42 85 - 49 - 791/3.0=6, 791/3.0=6...(23) H LYS 45 - HD2 LYS 61 OK 42 85 - 49 - 791/3.0=6, 791/3.0=6...(23) H GLY 64 - HD3 LYS 94 OK 28 81 - 34 - 4.7/2913=5, 4.7/2903=5...(9) H GLY 64 - HD2 LYS 94 OK 28 81 - 34 - 4.7/2913=5, 4.7/2903=5...(9) H LYS 45 - HD2 LYS 94 OK 26 97 - 26 - 192/3.4=3, 790/2.9=3...(7) H LYS 45 - HD3 LYS 94 OK 26 97 - 26 - 192/3.4=3, 790/2.9=3...(7) H ASP 32 - HD2 LYS 44 OK 24 100 - 24 - 1153/5.4=5, 111/3.0=3...(9) H ASP 32 - HD3 LYS 44 OK 24 100 - 24 - 1153/5.4=5, 111/3.0=3...(9) H ASP 32 - HD3 LYS 45 OK 23 72 - 31 - 2277/2.9=6, 2287/2.9=4...(10) H ASP 32 - HG12 ILE 27 OK 22 46 - 49 - ~7178=15, ~4978=12...(8) H GLY 64 - HD3 LYS 61 OK 21 68 - 32 - 5983/4.8=5, 4.7/887=4...(7) H GLY 64 - HD2 LYS 61 OK 21 68 - 32 - 5983/4.8=5, 4.7/887=4...(7) H ASP 32 - HD2 LYS 45 OK 21 66 - 31 - 2277/2.9=6, 2287/2.9=4...(10) H LYS 45 - HD3 LYS 63 OK 18 75 - 24 - 790/3.9=3, 4261/3.9=3...(9) H GLY 64 - HD3 LYS 45 OK 14 56 - 25 - 2277/2.9=4, 2287/2.9=2...(11) H GLY 64 - HD2 LYS 45 OK 13 51 - 24 - 2277/2.9=4, 2287/2.9=2...(11) H ASP 32 - HD3 LYS 63 OK 12 75 - 16 - 1154/5.9=3, ~5093=2, 4261/3.9=2 H ASP 32 - HD2 LYS 61 OK 12 85 - 14 - ~5134=1 H ASP 32 - HD3 LYS 61 OK 12 85 - 14 - ~5134=1 H ASP 32 - HD3 LYS 94 OK 12 97 - 12 - 3.5/5094=1, ~5094=1 H ASP 32 - HD2 LYS 94 OK 12 97 - 12 - 3.5/5094=1, ~5094=1 H GLY 64 - HD2 LYS 44 poor 10 87 - 11 - H GLY 64 - HD3 LYS 44 poor 10 87 - 11 - H LYS 45 - HD2 LYS 77 poor 8 69 - 12 - 192/3.0=2, 192/3.0=2, 189/1.8=1 H GLY 64 - HD2 LYS 77 poor 8 54 - 15 - 4.7/2903=2, 4.7/2913=2...(5) H LYS 45 - HG12 ILE 27 poor 6 46 - 13 - 5546/1.8=3, 189/2.8=2 H ASP 32 - HD2 LYS 77 lone 5 69 - 7 - ~5093=1, 5114/3.7=1 H GLY 64 - HG12 ILE 27 poor 5 34 - 13 - 5989/1.8=2, ~5984=2...(5) Peak 4180 from cnoeabs.peaks (8.31, 1.68, 28.46 ppm; 6.20 A): 4 out of 33 assignments used, quality = 1.00: H LYS 45 + HD2 LYS 44 OK 79 100 - 79 - 192/3.0=33, 189/3.8=18...(17) * H LYS 45 + HD3 LYS 44 OK 79 100 - 79 - 192/3.0=33, 189/3.8=18...(17) H LYS 45 + HD3 LYS 45 OK 75 75 - 100 - 6.3=96, 790/2.9=31...(26) H LYS 45 + HD2 LYS 45 OK 69 69 - 100 - 6.3=96, 790/2.9=31...(26) H GLY 64 - HD3 LYS 63 OK 42 58 - 72 - 289/5.0=30, 4261/3.9=20...(10) H LYS 45 - HD3 LYS 61 OK 42 85 - 50 - 791/3.0=6, 791/3.0=6...(25) H LYS 45 - HD2 LYS 61 OK 42 85 - 50 - 791/3.0=6, 791/3.0=6...(25) H GLY 64 - HD3 LYS 94 OK 27 80 - 34 - 4.7/2913=5, 4.7/2903=5...(9) H GLY 64 - HD2 LYS 94 OK 27 80 - 34 - 4.7/2913=5, 4.7/2903=5...(9) H LYS 45 - HD2 LYS 94 OK 26 97 - 26 - 192/3.4=3, 790/2.9=3...(7) H LYS 45 - HD3 LYS 94 OK 26 97 - 26 - 192/3.4=3, 790/2.9=3...(7) H ASP 32 - HD3 LYS 44 OK 24 100 - 24 - 1153/5.4=5, 111/3.0=3...(9) H ASP 32 - HD2 LYS 44 OK 24 100 - 24 - 1153/5.4=5, 111/3.0=3...(9) H ASP 32 - HD3 LYS 45 OK 23 75 - 31 - 2277/2.9=6, 2287/2.9=4...(10) H ASP 32 - HD2 LYS 45 OK 22 69 - 31 - 2277/2.9=6, 2287/2.9=4...(10) H GLY 64 - HD2 LYS 61 OK 21 68 - 32 - 5983/4.8=5, 4.7/887=4...(7) H GLY 64 - HD3 LYS 61 OK 21 68 - 32 - 5983/4.8=5, 4.7/887=4...(7) H ASP 32 - HG12 ILE 27 OK 21 43 - 49 - ~7178=15, ~4978=12...(8) H LYS 45 - HD3 LYS 63 OK 18 75 - 24 - 790/3.9=3, 4261/3.9=3...(9) H GLY 64 - HD3 LYS 45 OK 15 59 - 25 - 2277/2.9=4, 2287/2.9=2...(11) H GLY 64 - HD2 LYS 45 OK 13 54 - 24 - 2277/2.9=4, 2287/2.9=2...(11) H ASP 32 - HD3 LYS 63 OK 12 75 - 16 - 1154/5.9=3, ~5093=2, 4261/3.9=2 H ASP 32 - HD3 LYS 61 OK 12 85 - 14 - ~5134=1 H ASP 32 - HD2 LYS 61 OK 12 85 - 14 - ~5134=1 H ASP 32 - HD2 LYS 94 OK 12 97 - 12 - 3.5/5094=1, ~5094=1 H ASP 32 - HD3 LYS 94 OK 12 97 - 12 - 3.5/5094=1, ~5094=1 H GLY 64 - HD2 LYS 44 poor 10 87 - 11 - H GLY 64 - HD3 LYS 44 poor 10 87 - 11 - H LYS 45 - HD2 LYS 77 poor 9 73 - 12 - 192/3.0=2, 192/3.0=2, 189/1.8=1 H GLY 64 - HD2 LYS 77 poor 8 56 - 15 - 4.7/2903=2, 4.7/2913=2...(5) H LYS 45 - HG12 ILE 27 poor 6 43 - 13 - 5546/1.8=3, 189/2.8=2 H ASP 32 - HD2 LYS 77 lone 5 73 - 7 - ~5093=1, 5114/3.7=1 H GLY 64 - HG12 ILE 27 poor 4 32 - 13 - 5989/1.8=2, ~5984=2...(5) Peak 4181 from cnoeabs.peaks (8.31, 3.02, 41.80 ppm; 4.60 A): 6 out of 24 assignments used, quality = 0.99: H ASP 32 + HE3 LYS 35 OK 54 94 - 58 - 5115/3.0=12, 3.0/5134=10...(12) H ASP 32 + HE2 LYS 35 OK 54 94 - 58 - 5115/3.0=12, 3.0/5134=10...(12) H LYS 45 + HE3 LYS 44 OK 53 100 - 53 - 192/3.9=19, 189/4.8=10...(9) * H LYS 45 + HE2 LYS 44 OK 53 100 - 53 - 192/3.9=19, 189/4.8=10...(9) H LYS 45 + HE2 LYS 45 OK 47 63 - 76 - 7.3=25, 790/3.5=21...(18) H LYS 45 + HE3 LYS 45 OK 47 63 - 76 - 7.3=25, 790/3.5=21...(18) H LYS 45 - HE2 LYS 61 OK 22 84 - 26 - 791/3.9=4, 791/3.9=4...(8) H LYS 45 - HE3 LYS 61 OK 21 86 - 25 - 791/3.9=4, 791/3.9=4...(8) H ASP 32 - HE3 LYS 44 OK 14 100 - 14 - 1153/6.3=2, 111/3.9=2...(4) H ASP 32 - HE2 LYS 44 OK 14 100 - 13 - 1153/6.3=2, 111/3.9=2...(4) H ASP 32 - HE2 LYS 45 poor 9 63 - 15 - 2277/3.5=4, 2287/3.5=3...(5) H ASP 32 - HE3 LYS 45 poor 9 63 - 15 - 2277/3.5=4, 2287/3.5=3...(5) H LYS 45 - HE2 LYS 35 lone 7 94 - 7 - 4.9/2201=1, 3.6/2174=1 H LYS 45 - HE3 LYS 35 lone 7 94 - 7 - 4.9/2201=1, 3.6/2174=1 H ASP 32 - HE2 LYS 61 lone 7 84 - 8 - 3.0/5134=1 H GLY 64 - HE2 LYS 61 lone 6 67 - 10 - 5983/6.6=2, 292/3.9=2, 292/3.9=1 H GLY 64 - HE3 LYS 61 lone 6 69 - 9 - 5983/6.6=2, 293/3.9=2, 292/3.9=1 H ASP 32 - HE3 LYS 61 lone 6 86 - 7 - H GLY 64 - HE2 LYS 35 lone 6 78 - 8 - 1844/3.0=1, 1834/3.0=1...(4) H GLY 64 - HE3 LYS 35 lone 6 78 - 8 - 1844/3.0=1, 1834/3.0=1...(4) H GLY 64 - HE3 LYS 45 lone 5 48 - 10 - 2277/3.5=2, 2287/3.5=1 H GLY 64 - HE2 LYS 45 lone 5 48 - 10 - 2277/3.5=2, 2287/3.5=1 H GLY 64 - HE3 LYS 44 lone 4 87 - 4 - H GLY 64 - HE2 LYS 44 lone 4 87 - 4 - Peak 4182 from cnoeabs.peaks (8.31, 3.02, 41.80 ppm; 4.60 A): 5 out of 24 assignments used, quality = 0.97: H ASP 32 + HE3 LYS 35 OK 55 95 - 58 - 5115/3.0=12, 3.0/5134=10...(12) H ASP 32 + HE2 LYS 35 OK 55 95 - 58 - 5115/3.0=12, 3.0/5134=10...(12) * H LYS 45 + HE3 LYS 44 OK 53 100 - 53 - 192/3.9=19, 189/4.8=10...(9) H LYS 45 + HE2 LYS 44 OK 53 100 - 53 - 192/3.9=19, 189/4.8=10...(9) H LYS 45 + HE2 LYS 45 OK 45 59 - 75 - 7.3=25, 790/3.5=21...(18) H LYS 45 - HE3 LYS 45 OK 45 59 - 75 - 7.3=25, 790/3.5=21...(18) H LYS 45 - HE2 LYS 61 OK 22 86 - 26 - 791/3.9=4, 791/3.9=4...(8) H LYS 45 - HE3 LYS 61 OK 21 84 - 25 - 791/3.9=4, 791/3.9=4...(8) H ASP 32 - HE3 LYS 44 OK 14 100 - 14 - 1153/6.3=2, 111/3.9=2...(4) H ASP 32 - HE2 LYS 44 OK 14 100 - 14 - 1153/6.3=2, 111/3.9=2...(4) H ASP 32 - HE2 LYS 45 poor 9 59 - 15 - 2277/3.5=4, 2287/3.5=3...(5) H ASP 32 - HE3 LYS 45 poor 9 59 - 15 - 2277/3.5=4, 2287/3.5=3...(5) H ASP 32 - HE2 LYS 61 lone 7 86 - 8 - 3.0/5134=1 H LYS 45 - HE2 LYS 35 lone 7 95 - 7 - 4.9/2201=1, 3.6/2174=1 H LYS 45 - HE3 LYS 35 lone 7 95 - 7 - 4.9/2201=1, 3.6/2174=1 H GLY 64 - HE2 LYS 61 lone 7 69 - 10 - 5983/6.6=2, 292/3.9=2, 292/3.9=1 H ASP 32 - HE3 LYS 61 lone 6 84 - 7 - H GLY 64 - HE3 LYS 61 lone 6 67 - 9 - 5983/6.6=2, 292/3.9=2, 292/3.9=1 H GLY 64 - HE2 LYS 35 lone 6 78 - 8 - 1844/3.0=1, 1834/3.0=1...(4) H GLY 64 - HE3 LYS 35 lone 6 78 - 8 - 1844/3.0=1, 1834/3.0=1...(4) H GLY 64 - HE3 LYS 45 lone 5 45 - 10 - 2277/3.5=2, 2287/3.5=1 H GLY 64 - HE2 LYS 45 lone 5 45 - 10 - 2277/3.5=2, 2287/3.5=1 H GLY 64 - HE3 LYS 44 lone 4 87 - 4 - H GLY 64 - HE2 LYS 44 lone 4 87 - 4 - Peak 4183 from cnoeabs.peaks (7.42, 4.24, 57.98 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HA LYS 45 OK 100 100 - 100 - 3.6=100 Peak 4184 from cnoeabs.peaks (7.42, 1.95, 32.57 ppm; 3.62 A): 2 out of 6 assignments used, quality = 0.98: * H THR 46 + HB2 LYS 45 OK 87 100 - 87 - 4.0=72, 1095/4.0=18...(8) H THR 46 + HB3 LYS 45 OK 87 100 - 87 - 4.0=72, 1095/4.0=18...(8) H ALA 76 - HB2 LYS 45 lone 4 81 - 5 - 1095/4.0=1, 6368/3.0=1 H ALA 76 - HB3 LYS 45 lone 4 81 - 5 - 1095/4.0=1, 6368/3.0=1 QD PHE 34 - HB3 LYS 45 lone 4 99 - 4 - 1095/4.0=2 QD PHE 34 - HB2 LYS 45 lone 4 99 - 4 - 1095/4.0=2 Peak 4185 from cnoeabs.peaks (7.42, 1.95, 32.57 ppm; 3.62 A): 2 out of 6 assignments used, quality = 0.98: H THR 46 + HB2 LYS 45 OK 87 100 - 87 - 4.0=72, 1095/4.0=18...(8) * H THR 46 + HB3 LYS 45 OK 87 100 - 87 - 4.0=72, 1095/4.0=18...(8) H ALA 76 - HB2 LYS 45 lone 4 81 - 5 - 1095/4.0=1, 6368/3.0=1 H ALA 76 - HB3 LYS 45 lone 4 81 - 5 - 1095/4.0=1, 6368/3.0=1 QD PHE 34 - HB3 LYS 45 lone 4 99 - 4 - 1095/4.0=2 QD PHE 34 - HB2 LYS 45 lone 4 99 - 4 - 1095/4.0=2 Peak 4186 from cnoeabs.peaks (7.42, 1.51, 25.03 ppm; 5.24 A): 2 out of 6 assignments used, quality = 0.77: * H THR 46 + HG2 LYS 45 OK 74 100 - 74 - 1095/4.9=30, 201=24...(6) H ALA 76 + HG3 LYS 41 OK 12 63 - 19 - 6368/1.8=5, 344/3.8=3...(5) H THR 46 - HG3 LYS 41 poor 10 86 - 11 - 201=4, 202/1.8=3, 4.6/790=2 H ALA 76 - HG2 LYS 45 lone 7 81 - 9 - 6368/1.8=2, 1095/4.9=2...(4) QD PHE 34 - HG2 LYS 45 lone 7 99 - 7 - 1095/4.9=3, 4184/3.0=1 QD PHE 34 - HG3 LYS 41 lone 5 84 - 5 - Peak 4192 from cnoeabs.peaks (8.64, 4.47, 60.67 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + HA THR 46 OK 100 100 - 100 - 3.6=100 Peak 4193 from cnoeabs.peaks (8.64, 4.39, 70.74 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + HB THR 46 OK 100 100 - 100 - 4.4=100 Peak 4194 from cnoeabs.peaks (8.64, 1.13, 20.93 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 47 + QG2 THR 46 OK 100 100 - 100 - 4.3=100 Peak 4195 from cnoeabs.peaks (7.66, 3.67, 45.62 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 48 + HA2 GLY 47 OK 100 100 - 100 - 3.6=100 Peak 4196 from cnoeabs.peaks (7.66, 4.18, 45.62 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 48 + HA3 GLY 47 OK 100 100 - 100 - 3.6=100 Peak 4198 from cnoeabs.peaks (8.88, 3.67, 50.24 ppm; 5.37 A): 3 out of 4 assignments used, quality = 0.93: * H MET 50 + HD3 PRO 49 OK 86 100 - 86 - 214/3.6=45, 220=34...(10) H PHE 97 + HD3 PRO 49 OK 38 96 - 39 - 4202/2.3=13, 4203/2.3=13...(5) H MET 50 + HD2 PRO 74 OK 22 70 - 31 - 220=9, 7052/2.5=6...(7) H PHE 97 - HD2 PRO 74 lone 2 63 - 3 - Peak 4199 from cnoeabs.peaks (8.88, 4.59, 62.40 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.94: * H MET 50 + HA PRO 49 OK 92 100 - 92 - 3.6=83, 220/3.6=9...(12) H PHE 97 + HA PRO 49 OK 19 96 - 20 - 4202/3.8=4, 4203/3.8=4...(8) Peak 4200 from cnoeabs.peaks (8.88, 2.22, 32.31 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H MET 50 + HB2 PRO 49 OK 100 100 - 100 - 3.8=100 Peak 4201 from cnoeabs.peaks (8.88, 1.56, 32.31 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H MET 50 + HB3 PRO 49 OK 100 100 - 100 - 3.8=100 Peak 4202 from cnoeabs.peaks (8.88, 2.00, 27.25 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.89: * H MET 50 + HG2 PRO 49 OK 83 100 - 83 - 214/3.8=40, 220/2.3=25...(9) H PHE 97 + HG2 PRO 49 OK 37 96 - 39 - 4203/1.8=12, 4.5/7090=9...(6) H MET 50 - HG2 PRO 92 lone 2 47 - 4 - H PHE 97 - HG2 PRO 92 lone 1 42 - 3 - Peak 4203 from cnoeabs.peaks (8.88, 1.94, 27.25 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.92: * H MET 50 + HG3 PRO 49 OK 87 100 - 87 - 214/3.8=42, 4202/1.8=29...(10) H PHE 97 + HG3 PRO 49 OK 42 96 - 44 - 4202/1.8=13, 4.5/7089=10...(8) Peak 4204 from cnoeabs.peaks (7.71, 4.43, 55.09 ppm; 2.78 A): 1 out of 1 assignment used, quality = 0.73: * H ILE 51 + HA MET 50 OK 73 100 - 73 - 3.6=47, 1098/3.0=13...(10) Peak 4205 from cnoeabs.peaks (7.71, 1.65, 30.35 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 51 + HB2 MET 50 OK 99 100 - 99 - 4.6=90, 4204/3.0=46...(11) Peak 4206 from cnoeabs.peaks (7.71, 2.03, 30.35 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.97: * H ILE 51 + HB3 MET 50 OK 97 100 - 97 - 4.6=76, 4204/3.0=43...(11) H ILE 51 - HB2 GLU 23 lone 4 61 - 6 - 225/3.0=1, 1099/4.1=1, 224=1 Peak 4207 from cnoeabs.peaks (7.71, 2.27, 32.38 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.94: * H ILE 51 + HG2 MET 50 OK 93 100 - 93 - 4204/3.8=40, 4208/1.8=40...(8) H ILE 51 + HB3 LYS 86 OK 17 89 - 18 - 225=7, 3.6/2448=4...(4) Peak 4208 from cnoeabs.peaks (7.71, 2.38, 32.38 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.93: * H ILE 51 + HG3 MET 50 OK 93 100 - 93 - 4204/3.8=40, 4206/2.9=33...(12) Peak 4210 from cnoeabs.peaks (8.37, 4.80, 58.94 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 52 + HA ILE 51 OK 100 100 - 100 - 3.6=100 Peak 4211 from cnoeabs.peaks (8.37, 1.46, 42.12 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 52 + HB ILE 51 OK 100 100 - 100 - 4.4=100 Peak 4212 from cnoeabs.peaks (8.37, 0.72, 16.24 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.96: * H ASN 52 + QG2 ILE 51 OK 93 100 - 93 - 4.1=62, 229/3.2=28...(18) H LYS 94 + QG2 ILE 51 OK 44 97 - 46 - 433=15, 6855/3.2=5...(14) H LYS 35 - QG2 ILE 51 OK 19 83 - 23 - 4.3/5205=3, 3.0/5715=3...(10) H ASN 24 - QG2 ILE 51 lone 6 71 - 8 - 2.9/5715=2, 4868/3.2=2 H ASN 14 - QG2 ILE 51 lone 3 71 - 5 - 4.0/5730=2 Peak 4213 from cnoeabs.peaks (8.37, 1.02, 27.65 ppm; 5.19 A): 2 out of 5 assignments used, quality = 0.96: * H ASN 52 + HG12 ILE 51 OK 93 100 - 93 - 229/4.0=39, 231/3.2=34...(12) H LYS 94 + HG12 ILE 51 OK 43 97 - 45 - 433/3.2=14, 6855/2.1=11...(10) H LYS 35 - HG12 ILE 51 OK 22 83 - 26 - 7035/2.1=7, 4212/3.2=5...(8) H ASN 24 - HG12 ILE 51 OK 17 71 - 23 - 4868=6, 4.6/4893=5...(8) H ASN 14 - HG12 ILE 51 lone 3 71 - 4 - Peak 4214 from cnoeabs.peaks (8.37, 1.43, 27.65 ppm; 5.57 A): 2 out of 10 assignments used, quality = 0.97: * H ASN 52 + HG13 ILE 51 OK 94 100 - 94 - 229/4.0=42, 231/3.2=36...(16) H LYS 94 + HG13 ILE 51 OK 50 97 - 52 - 433/3.2=14, 6855/2.1=11...(12) H LYS 35 - HG13 ILE 51 OK 25 83 - 30 - 7035/2.1=7, 4212/3.2=6...(9) H LYS 94 - HD3 LYS 86 OK 16 85 - 19 - ~3848=3, 3.0/3849=3...(7) H ASN 52 - HD3 LYS 86 OK 13 92 - 14 - 4.6/2514=4, 3.6/2515=3...(5) H ASN 24 - HG13 ILE 51 OK 11 71 - 16 - 4868/1.8=6, ~5715=3...(5) H LYS 35 - HD3 LYS 86 poor 7 71 - 10 - 729/3.0=2, 726/3.4=2...(4) H ASN 14 - HG13 ILE 51 lone 4 71 - 5 - 4212/3.2=1 H ASN 24 - HD3 LYS 86 lone 2 59 - 3 - H ASN 14 - HD3 LYS 86 lone 1 59 - 2 - Peak 4216 from cnoeabs.peaks (8.58, 4.93, 51.21 ppm; 2.79 A): 1 out of 2 assignments used, quality = 0.69: * H LEU 53 + HA ASN 52 OK 69 100 - 69 - 3.6=48, 1100/2.9=12...(11) H GLU 58 - HA ASN 52 lone 3 76 - 4 - 1100/2.9=1 Peak 4217 from cnoeabs.peaks (8.58, 2.59, 40.23 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 53 + HB2 ASN 52 OK 86 100 - 86 - 4.3=64, 4216/3.0=35...(8) H LEU 53 + HB3 ASN 52 OK 86 100 - 86 - 4.3=64, 4216/3.0=35...(8) H GLU 58 - HB2 ASN 52 lone 4 76 - 5 - 4216/3.0=2, 1100/4.0=2 H GLU 58 - HB3 ASN 52 lone 4 75 - 5 - 4216/3.0=2, 1100/4.0=2 Peak 4218 from cnoeabs.peaks (8.58, 2.60, 40.23 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 53 + HB3 ASN 52 OK 86 100 - 86 - 4.3=64, 4216/3.0=35...(8) H LEU 53 + HB2 ASN 52 OK 86 100 - 86 - 4.3=64, 4216/3.0=35...(8) H GLU 58 - HB3 ASN 52 lone 4 76 - 5 - 4216/3.0=2, 1100/4.0=2 H GLU 58 - HB2 ASN 52 lone 4 75 - 5 - 4216/3.0=2, 1100/4.0=2 Peak 4219 from cnoeabs.peaks (7.64, 4.70, 52.77 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.98: * H TYR 54 + HA LEU 53 OK 98 100 - 98 - 3.6=97, 246/4.0=16...(7) H GLN 48 - HA LEU 53 lone 5 93 - 6 - 4223/4.0=2, 4224/4.0=1 HD22 ASN 24 - HA LEU 53 lone 3 96 - 4 - 4223/4.0=1, 4224/4.0=1 HD21 ASN 43 - HA LEU 53 lone 3 99 - 3 - HE22 GLN 36 - HA LEU 53 lone 2 95 - 2 - Peak 4220 from cnoeabs.peaks (7.64, 1.72, 42.05 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + HB2 LEU 53 OK 100 100 - 100 - 4.4=100 Peak 4221 from cnoeabs.peaks (7.64, 1.39, 42.05 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 54 + HB3 LEU 53 OK 100 100 - 100 - 4.4=100 Peak 4223 from cnoeabs.peaks (7.64, 0.61, 23.44 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.87: * H TYR 54 + QD2 LEU 53 OK 85 100 - 85 - 246=44, 3.6/2551=35...(11) H GLN 48 + QD2 LEU 53 OK 13 93 - 14 - 4224/2.1=3, 3.8/5804=2...(5) HD22 ASN 24 - QD2 LEU 53 lone 9 96 - 10 - 4.4/5799=4, 4224/2.1=3 HD21 ASN 43 - QD2 LEU 53 lone 6 99 - 6 - 4224/2.1=1 HE22 GLN 36 - QD2 LEU 53 lone 4 95 - 4 - 4224/2.1=1 Peak 4224 from cnoeabs.peaks (7.64, 0.77, 25.50 ppm; 5.32 A): 3 out of 5 assignments used, quality = 0.89: * H TYR 54 + QD1 LEU 53 OK 85 100 - 85 - 246/2.1=46, 4219/4.0=36...(8) H GLN 48 + QD1 LEU 53 OK 13 93 - 14 - 4223/2.1=5, 3.8/5809=2...(4) HD22 ASN 24 + QD1 LEU 53 OK 13 96 - 14 - 4.4/5801=7, 4223/2.1=4 HD21 ASN 43 - QD1 LEU 53 lone 7 99 - 7 - 4223/2.1=3, 4219/4.0=1 HE22 GLN 36 - QD1 LEU 53 lone 6 95 - 6 - 4223/2.1=2, 7173/4855=1 Peak 4225 from cnoeabs.peaks (8.94, 4.80, 60.40 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 56 + HA THR 55 OK 100 100 - 100 - 3.6=100 Peak 4226 from cnoeabs.peaks (8.94, 3.83, 71.24 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.69: * H ASP 56 + HB THR 55 OK 69 100 - 69 - 4.6=44, 250/2.1=25...(5) H ALA 66 - HB THR 55 lone 6 78 - 8 - 249=3, 4227/2.1=3 H PHE 70 - HB THR 55 lone 4 83 - 5 - 4227/2.1=3 H VAL 18 - HB THR 55 lone 2 99 - 2 - 4227/2.1=1 H SER 96 - HB THR 55 lone 2 93 - 2 - Peak 4227 from cnoeabs.peaks (8.94, 1.03, 21.69 ppm; 3.63 A): 2 out of 5 assignments used, quality = 0.88: * H ASP 56 + QG2 THR 55 OK 87 100 - 87 - 4.1=68, 249/2.1=32...(9) H PHE 70 + QG2 THR 55 OK 10 83 - 12 - 4.6/6182=4, 4226/2.1=2 H ALA 66 - QG2 THR 55 poor 9 78 - 11 - 250=3, 4226/2.1=3, 4.6/5854=1 H VAL 18 - QG2 THR 55 lone 4 99 - 4 - 4226/2.1=1 H SER 96 - QG2 THR 55 lone 3 93 - 3 - Peak 4228 from cnoeabs.peaks (8.56, 4.02, 58.19 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 58 + HA ARG 57 OK 100 100 - 100 - 3.6=100 Peak 4229 from cnoeabs.peaks (8.56, 1.89, 29.89 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 58 + HB2 ARG 57 OK 93 100 - 93 - 4.4=82, 252/1.8=21...(10) H GLU 58 + HB3 ARG 57 OK 93 100 - 93 - 4.4=82, 252/1.8=21...(10) H LEU 53 - HB2 ARG 57 lone 1 76 - 1 - H LEU 53 - HB3 ARG 57 lone 1 76 - 1 - Peak 4230 from cnoeabs.peaks (8.56, 1.89, 29.89 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: H GLU 58 + HB2 ARG 57 OK 93 100 - 93 - 4.4=82, 252/1.8=21...(10) * H GLU 58 + HB3 ARG 57 OK 93 100 - 93 - 4.4=82, 252/1.8=21...(10) H LEU 53 - HB2 ARG 57 lone 1 76 - 1 - H LEU 53 - HB3 ARG 57 lone 1 76 - 1 - Peak 4231 from cnoeabs.peaks (8.56, 1.68, 26.69 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 58 + HG2 ARG 57 OK 99 100 - 99 - 4.9=98, 253/3.0=20...(13) H GLU 58 + HG3 ARG 57 OK 99 100 - 99 - 4.9=98, 253/3.0=20...(13) H LEU 53 - HG2 ARG 57 lone 2 76 - 3 - H LEU 53 - HG3 ARG 57 lone 2 76 - 3 - Peak 4232 from cnoeabs.peaks (8.56, 1.68, 26.69 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 58 + HG3 ARG 57 OK 99 100 - 99 - 4.9=98, 253/3.0=20...(13) H GLU 58 + HG2 ARG 57 OK 99 100 - 99 - 4.9=98, 253/3.0=20...(13) H LEU 53 - HG2 ARG 57 lone 2 76 - 3 - H LEU 53 - HG3 ARG 57 lone 2 76 - 3 - Peak 4235 from cnoeabs.peaks (8.06, 4.26, 58.00 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HA GLU 58 OK 100 100 - 100 - 3.6=100 Peak 4236 from cnoeabs.peaks (8.06, 2.13, 30.13 ppm; 4.12 A): 2 out of 8 assignments used, quality = 0.93: * H THR 59 + HB2 GLU 58 OK 92 100 - 92 - 4.6=71, 258/4.0=27...(7) H SER 75 + HB2 GLU 58 OK 15 100 - 15 - 4239/3.0=3, 4238/3.0=3...(4) H VAL 68 - HB2 GLU 58 lone 8 78 - 10 - 4238/3.0=2, 4239/3.0=2 H THR 59 - HB2 GLN 36 lone 2 34 - 6 - 263/3.0=1, 260=1 H ASN 13 - HB2 GLU 58 lone 2 60 - 3 - H SER 75 - HB2 GLN 36 lone 1 34 - 2 - H VAL 68 - HB2 GLN 36 lone 0 22 - 2 - H ASN 13 - HB2 GLN 36 lone 0 16 - 1 - Peak 4237 from cnoeabs.peaks (8.06, 2.16, 30.13 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.94: * H THR 59 + HB3 GLU 58 OK 93 100 - 93 - 4.6=73, 258/4.0=28...(7) H SER 75 + HB3 GLU 58 OK 13 100 - 13 - 338/1.8=3, 4239/3.0=3...(4) H VAL 68 - HB3 GLU 58 lone 8 78 - 9 - 4238/3.0=2, 4239/3.0=2 H ASN 13 - HB3 GLU 58 lone 2 60 - 3 - Peak 4238 from cnoeabs.peaks (8.06, 2.24, 36.21 ppm; 4.76 A): 1 out of 8 assignments used, quality = 0.98: * H THR 59 + HG2 GLU 58 OK 98 100 - 98 - 5.0=87, 4237/3.0=30...(7) H THR 59 - HG3 GLU 23 OK 26 62 - 43 - 262=12, 3.6/2710=10...(7) H SER 75 - HG2 GLU 58 OK 17 100 - 17 - 4236/3.0=5, 4239/1.8=5...(4) H VAL 68 - HG2 GLU 58 OK 13 78 - 16 - 4239/1.8=3, 4236/3.0=2...(8) H ASN 13 - HG2 GLU 58 lone 3 60 - 4 - 4239/1.8=1 H SER 75 - HG3 GLU 23 lone 2 61 - 4 - H VAL 68 - HG3 GLU 23 lone 2 41 - 5 - H ASN 13 - HG3 GLU 23 lone 1 30 - 3 - 4.6/4082=1 Peak 4239 from cnoeabs.peaks (8.06, 2.31, 36.21 ppm; 4.82 A): 1 out of 8 assignments used, quality = 0.99: * H THR 59 + HG3 GLU 58 OK 99 100 - 99 - 5.0=90, 262/1.8=31...(7) H SER 75 - HG3 GLU 58 OK 18 100 - 17 - 4236/3.0=5, 4237/3.0=5...(4) H THR 59 - HG2 GLU 23 OK 16 45 - 36 - 262/1.8=11, 263=8...(7) H VAL 68 - HG3 GLU 58 OK 12 78 - 15 - 4238/1.8=3, 4236/3.0=3...(7) H ASN 13 - HG3 GLU 58 lone 4 60 - 7 - 4.6/4502=2 H SER 75 - HG2 GLU 23 lone 2 45 - 3 - H VAL 68 - HG2 GLU 23 lone 1 30 - 4 - H ASN 13 - HG2 GLU 23 lone 1 21 - 5 - 4.6/4502=1 Peak 4240 from cnoeabs.peaks (8.43, 4.43, 61.33 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + HA THR 59 OK 100 100 - 100 - 3.6=100 Peak 4241 from cnoeabs.peaks (8.43, 4.32, 70.98 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + HB THR 59 OK 100 100 - 100 - 4.4=100 Peak 4242 from cnoeabs.peaks (8.43, 1.22, 20.87 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 60 + QG2 THR 59 OK 100 100 - 100 - 4.2=100 Peak 4243 from cnoeabs.peaks (7.76, 3.77, 45.70 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HA2 GLY 60 OK 100 100 - 100 - 3.6=100 Peak 4244 from cnoeabs.peaks (7.76, 4.18, 45.70 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HA3 GLY 60 OK 100 100 - 100 - 3.6=100 Peak 4245 from cnoeabs.peaks (8.77, 4.35, 55.60 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.89: * H LEU 62 + HA LYS 61 OK 73 100 - 73 - 3.6=49, 4246/3.0=16...(11) H LEU 62 + HA LEU 62 OK 60 64 - 95 - 3.0=87, 2851/3.0=17...(12) Peak 4246 from cnoeabs.peaks (8.77, 1.84, 33.46 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.87: * H LEU 62 + HB2 LYS 61 OK 87 100 - 87 - 4.4=59, 4247/1.8=31...(14) Peak 4247 from cnoeabs.peaks (8.77, 1.66, 33.46 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.96: * H LEU 62 + HB3 LYS 61 OK 96 100 - 96 - 4.4=83, 4246/1.8=43...(13) Peak 4248 from cnoeabs.peaks (8.77, 1.42, 24.91 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.99: * H LEU 62 + HG2 LYS 61 OK 91 100 - 91 - 5.0=52, 4246/3.0=33...(19) H LEU 62 + HG3 LYS 61 OK 91 100 - 91 - 5.0=52, 4246/3.0=33...(19) H LEU 62 - HG2 LYS 63 OK 41 85 - 48 - 281/4.9=17, 875/2.9=8...(13) H LEU 62 - HG3 LYS 63 OK 41 85 - 48 - 281/4.9=17, 875/2.9=8...(13) H LEU 62 - HG3 LYS 45 lone 5 76 - 6 - H LEU 62 - HG2 LYS 41 lone 2 60 - 4 - Peak 4249 from cnoeabs.peaks (8.77, 1.42, 24.91 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.99: H LEU 62 + HG2 LYS 61 OK 91 100 - 91 - 5.0=52, 4246/3.0=33...(19) * H LEU 62 + HG3 LYS 61 OK 91 100 - 91 - 5.0=52, 4246/3.0=33...(19) H LEU 62 - HG2 LYS 63 OK 42 87 - 48 - 281/4.9=17, 875/2.9=8...(13) H LEU 62 - HG3 LYS 63 OK 42 87 - 48 - 281/4.9=17, 875/2.9=8...(13) H LEU 62 - HG3 LYS 45 lone 5 74 - 6 - H LEU 62 - HG2 LYS 41 lone 2 57 - 4 - Peak 4250 from cnoeabs.peaks (8.77, 1.68, 28.77 ppm; 4.40 A): 3 out of 11 assignments used, quality = 0.98: * H LEU 62 + HD2 LYS 61 OK 83 100 - 83 - 4246/3.9=31, 4247/3.9=28...(20) H LEU 62 + HD3 LYS 61 OK 83 100 - 83 - 4246/3.9=31, 4247/3.9=28...(20) H LEU 62 + HD3 LYS 63 OK 47 100 - 47 - 281/5.9=16, 875/3.9=7...(12) H LEU 62 - HD3 LYS 94 OK 23 97 - 24 - 277=3, 278/1.8=3...(9) H LEU 62 - HD2 LYS 94 OK 23 97 - 24 - 277=3, 278/1.8=3...(9) H LEU 62 - HD2 LYS 44 lone 9 85 - 10 - 277=1, 278/1.8=1 H LEU 62 - HD3 LYS 44 lone 8 85 - 10 - 278=1, 278/1.8=1 H LEU 62 - HD3 LYS 45 lone 6 63 - 9 - H LEU 62 - HD2 LYS 45 lone 5 58 - 8 - H LEU 62 - HD2 LYS 77 lone 3 60 - 4 - H LEU 62 - HG12 ILE 27 lone 1 64 - 2 - Peak 4251 from cnoeabs.peaks (8.77, 1.68, 28.77 ppm; 4.40 A): 3 out of 11 assignments used, quality = 0.98: H LEU 62 + HD2 LYS 61 OK 83 100 - 83 - 4246/3.9=31, 4247/3.9=28...(20) * H LEU 62 + HD3 LYS 61 OK 83 100 - 83 - 4246/3.9=31, 4247/3.9=28...(20) H LEU 62 + HD3 LYS 63 OK 47 100 - 47 - 281/5.9=16, 875/3.9=7...(12) H LEU 62 - HD3 LYS 94 OK 23 97 - 24 - 277=3, 278/1.8=3...(9) H LEU 62 - HD2 LYS 94 OK 23 97 - 24 - 277=3, 278/1.8=3...(9) H LEU 62 - HD2 LYS 44 lone 9 85 - 10 - 277=1, 278/1.8=1 H LEU 62 - HD3 LYS 44 lone 8 85 - 10 - 278=1, 278/1.8=1 H LEU 62 - HD3 LYS 45 lone 6 63 - 9 - H LEU 62 - HD2 LYS 45 lone 5 58 - 8 - H LEU 62 - HD2 LYS 77 lone 3 60 - 4 - H LEU 62 - HG12 ILE 27 lone 1 64 - 2 - Peak 4254 from cnoeabs.peaks (8.00, 4.36, 56.01 ppm; 3.08 A): 4 out of 10 assignments used, quality = 0.91: * H LYS 63 + HA LEU 62 OK 83 100 - 83 - 3.6=64, 281/3.0=15...(13) H LYS 63 + HA LYS 61 OK 25 64 - 39 - 281/3.6=13, 282=13...(10) H GLY 22 + HA LEU 62 OK 17 100 - 17 - 4256/3.0=3, 4257/3.7=2...(8) H PHE 34 + HA LEU 62 OK 11 97 - 11 - 4258/4.0=2, 4256/3.0=2...(5) H LYS 86 - HA LEU 62 lone 7 93 - 8 - 4256/3.0=2, 1106/3.0=2 H VAL 30 - HA LEU 62 lone 5 71 - 8 - 3.9/2849=1, 3.9/2849=1 H GLY 22 - HA LYS 61 lone 3 64 - 4 - 1106/3.6=2 H PHE 34 - HA LYS 61 lone 2 59 - 4 - 1106/3.6=2 H LYS 86 - HA LYS 61 lone 2 54 - 4 - 1106/3.6=1 H VAL 30 - HA LYS 61 lone 1 38 - 3 - Peak 4255 from cnoeabs.peaks (8.00, 1.89, 41.38 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 63 + HB2 LEU 62 OK 100 100 - 100 - 4.4=100 Peak 4256 from cnoeabs.peaks (8.00, 1.53, 41.38 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.98: * H LYS 63 + HB3 LEU 62 OK 98 100 - 98 - 4.4=88, 282/3.0=28...(11) H GLY 22 - HB3 LEU 62 OK 41 100 - 41 - 3.0/5952=7, 4259/3.1=6...(12) H PHE 34 - HB3 LEU 62 OK 25 97 - 25 - 4258/3.1=5, 4259/3.1=5...(7) H LYS 86 - HB3 LEU 62 OK 19 93 - 20 - 1106/3.6=3, 996=2...(9) H VAL 30 - HB3 LEU 62 poor 10 71 - 13 - 4259/3.1=2, 4258/3.1=2...(5) Peak 4257 from cnoeabs.peaks (8.00, 1.81, 27.33 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 63 + HG LEU 62 OK 90 100 - 90 - 4.6/2865=34, 287/2.1=32...(11) H GLY 22 + HG LEU 62 OK 48 100 - 48 - 4259/2.1=9, 4256/3.0=8...(12) H PHE 34 - HG LEU 62 OK 28 97 - 29 - 4259/2.1=8, 4258/2.1=6...(8) H LYS 86 - HG LEU 62 OK 19 93 - 20 - 4256/3.0=4, 4259/2.1=4...(7) H VAL 30 - HG LEU 62 OK 12 71 - 17 - 4259/2.1=4, 4258/2.1=2...(8) Peak 4258 from cnoeabs.peaks (8.00, 0.84, 23.71 ppm; 3.15 A): 5 out of 10 assignments used, quality = 0.88: * H LYS 63 + QD2 LEU 62 OK 65 100 - 65 - 286=17, 287/2.1=15...(13) H GLY 22 + QD2 LEU 62 OK 25 100 - 25 - 4256/3.1=3, 4259/2.1=3...(11) H PHE 34 + QD2 LEU 62 OK 24 97 - 24 - 4259/2.1=3, 5192=2...(10) H VAL 30 + QG2 VAL 30 OK 24 31 - 76 - 3.9=52, 698/2.1=15...(12) H PHE 34 + QG2 VAL 30 OK 23 49 - 47 - 1163/3.2=7, 5180/4.2=6...(17) H VAL 30 - QD2 LEU 62 poor 9 71 - 13 - 700=2, 4259/2.1=1, 5038/5821=1 H LYS 86 - QD2 LEU 62 lone 8 93 - 9 - 4256/3.1=2, 4259/2.1=1...(4) H LYS 63 - QG2 VAL 30 poor 8 53 - 16 - 286=4, 286/2.1=3...(5) H GLY 22 - QG2 VAL 30 poor 8 53 - 14 - 3.6/4814=2, 4.6/4813=2...(4) H LYS 86 - QG2 VAL 30 lone 2 45 - 3 - Peak 4259 from cnoeabs.peaks (8.00, 1.00, 26.12 ppm; 4.69 A): 3 out of 5 assignments used, quality = 0.96: * H LYS 63 + QD1 LEU 62 OK 88 100 - 89 - 287=34, 4.6/2879=27...(12) H GLY 22 + QD1 LEU 62 OK 49 100 - 49 - 4257/2.1=8, 4256/3.1=8...(14) H PHE 34 + QD1 LEU 62 OK 39 97 - 40 - 4258/2.1=6, 4257/2.1=5...(14) H LYS 86 - QD1 LEU 62 OK 19 93 - 20 - 4256/3.1=4, 4257/2.1=3...(6) H VAL 30 - QD1 LEU 62 OK 18 71 - 25 - 5038/5962=9, 4258/2.1=2...(9) Peak 4260 from cnoeabs.peaks (8.33, 4.27, 56.09 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 64 + HA LYS 63 OK 100 100 - 100 - 3.6=100 Peak 4261 from cnoeabs.peaks (8.33, 1.88, 33.95 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.99: * H GLY 64 + HB2 LYS 63 OK 99 100 - 99 - 4.7=99 H LYS 94 - HB2 LYS 63 OK 19 73 - 26 - 1107/3.9=5, 1033/1.8=3...(11) H LYS 45 - HB2 LYS 63 OK 14 87 - 16 - 790/1.8=3, 190=2...(5) H LYS 35 - HB2 LYS 63 OK 13 92 - 14 - 1107/3.9=5, 4.6/2896=3 H ASP 32 - HB2 LYS 63 lone 9 87 - 10 - 1107/3.9=3 Peak 4262 from cnoeabs.peaks (8.33, 1.53, 33.95 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 64 + HB3 LYS 63 OK 100 100 - 100 - 4.7=100 Peak 4263 from cnoeabs.peaks (8.33, 1.43, 25.09 ppm; 4.76 A): 2 out of 20 assignments used, quality = 0.94: H GLY 64 + HG3 LYS 63 OK 75 100 - 76 - 289/4.2=29, 4261/2.9=22...(13) * H GLY 64 + HG2 LYS 63 OK 75 100 - 76 - 289/4.2=29, 4261/2.9=22...(13) H LYS 94 - HG3 LYS 63 OK 30 73 - 41 - 3.0/3849=5, 4261/2.9=4...(18) H LYS 94 - HG2 LYS 63 OK 30 73 - 41 - 3.0/3849=5, 4261/2.9=4...(18) H GLY 64 - HG3 LYS 61 OK 21 87 - 24 - 5983/3.9=5, 4.7/884=4...(6) H GLY 64 - HG2 LYS 61 OK 20 85 - 24 - 5983/3.9=5, 4.7/884=4...(6) H LYS 45 - HG3 LYS 61 OK 18 70 - 26 - 791/1.8=5, 791=2...(10) H LYS 45 - HG2 LYS 61 OK 18 68 - 26 - 791/1.8=5, 791=3...(10) H LYS 45 - HG2 LYS 63 OK 14 87 - 16 - 4261/2.9=3, 790/2.9=2...(4) H LYS 45 - HG3 LYS 63 OK 14 87 - 16 - 4261/2.9=3, 790/2.9=2...(4) H LYS 94 - HG3 LYS 61 OK 12 57 - 21 - 3.0/3849=2, ~3905=2...(10) H LYS 94 - HG2 LYS 61 OK 12 56 - 21 - 3.0/3849=2, ~3905=2...(10) H LYS 35 - HG2 LYS 63 OK 11 92 - 12 - 1107/4.9=4, 4261/2.9=3...(4) H LYS 35 - HG3 LYS 63 OK 11 92 - 12 - 1107/4.9=4, 4261/2.9=3...(4) H ASP 32 - HG2 LYS 63 OK 11 87 - 12 - 1107/4.9=2, 4261/2.9=2 H ASP 32 - HG3 LYS 63 OK 11 87 - 12 - 1107/4.9=2, 4261/2.9=2 H LYS 35 - HG3 LYS 61 poor 9 75 - 12 - 732/3.9=2, 732/3.9=2...(5) H LYS 35 - HG2 LYS 61 poor 9 73 - 12 - 732/3.9=2, 732/3.9=2...(5) H ASP 32 - HG3 LYS 61 lone 4 70 - 5 - H ASP 32 - HG2 LYS 61 lone 3 68 - 5 - Peak 4264 from cnoeabs.peaks (8.33, 1.43, 25.09 ppm; 4.76 A): 2 out of 20 assignments used, quality = 0.94: * H GLY 64 + HG3 LYS 63 OK 75 100 - 76 - 289/4.2=29, 4261/2.9=22...(13) H GLY 64 + HG2 LYS 63 OK 75 100 - 76 - 289/4.2=29, 4261/2.9=22...(13) H LYS 94 - HG3 LYS 63 OK 30 73 - 41 - 3.0/3849=5, 4261/2.9=4...(18) H LYS 94 - HG2 LYS 63 OK 30 73 - 41 - 3.0/3849=5, 4261/2.9=4...(18) H GLY 64 - HG3 LYS 61 OK 21 87 - 24 - 5983/3.9=5, 4.7/884=4...(6) H GLY 64 - HG2 LYS 61 OK 20 85 - 24 - 5983/3.9=5, 4.7/884=4...(6) H LYS 45 - HG3 LYS 61 OK 18 70 - 26 - 791/1.8=5, 791=2...(10) H LYS 45 - HG2 LYS 61 OK 18 68 - 26 - 791/1.8=5, 791=3...(10) H LYS 45 - HG2 LYS 63 OK 14 87 - 16 - 4261/2.9=3, 790/2.9=2...(4) H LYS 45 - HG3 LYS 63 OK 14 87 - 16 - 4261/2.9=3, 790/2.9=2...(4) H LYS 94 - HG3 LYS 61 OK 12 57 - 21 - 3.0/3849=2, ~3905=2...(10) H LYS 94 - HG2 LYS 61 OK 12 56 - 21 - 3.0/3849=2, ~3905=2...(10) H LYS 35 - HG2 LYS 63 OK 11 92 - 12 - 1107/4.9=4, 4261/2.9=3...(4) H LYS 35 - HG3 LYS 63 OK 11 92 - 12 - 1107/4.9=4, 4261/2.9=3...(4) H ASP 32 - HG2 LYS 63 OK 11 87 - 12 - 1107/4.9=2, 4261/2.9=2 H ASP 32 - HG3 LYS 63 OK 11 87 - 12 - 1107/4.9=2, 4261/2.9=2 H LYS 35 - HG3 LYS 61 poor 9 75 - 12 - 732/3.9=2, 732/3.9=2...(5) H LYS 35 - HG2 LYS 61 poor 9 73 - 12 - 732/3.9=2, 732/3.9=2...(5) H ASP 32 - HG3 LYS 61 lone 4 70 - 5 - H ASP 32 - HG2 LYS 61 lone 3 68 - 5 - Peak 4269 from cnoeabs.peaks (7.15, 3.74, 46.08 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + HA2 GLY 64 OK 100 100 - 100 - 3.6=100 Peak 4270 from cnoeabs.peaks (7.15, 4.24, 46.08 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 65 + HA3 GLY 64 OK 100 100 - 100 - 3.6=100 Peak 4271 from cnoeabs.peaks (8.92, 5.51, 52.75 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.82: * H ALA 66 + HA GLU 65 OK 79 100 - 79 - 3.6=61, 2.9/5999=10...(14) H VAL 18 + HA GLU 65 OK 16 90 - 18 - 3.9/4703=8, 3.9/4701=5...(4) H SER 96 - HA GLU 65 lone 7 99 - 7 - 4.2/5999=2, 6946/4791=1 H ASP 56 - HA GLU 65 lone 4 78 - 5 - 302=2 Peak 4272 from cnoeabs.peaks (8.92, 1.98, 33.99 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + HB2 GLU 65 OK 100 100 - 100 - 4.4=100 Peak 4273 from cnoeabs.peaks (8.92, 1.82, 33.99 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + HB3 GLU 65 OK 100 100 - 100 - 4.4=100 Peak 4274 from cnoeabs.peaks (8.92, 2.19, 36.27 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + HG2 GLU 65 OK 100 100 - 100 - 5.0=100 Peak 4275 from cnoeabs.peaks (8.92, 2.14, 36.27 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 66 + HG3 GLU 65 OK 100 100 - 100 - 5.0=100 Peak 4276 from cnoeabs.peaks (8.43, 5.59, 50.67 ppm; 2.98 A): 1 out of 6 assignments used, quality = 0.81: * H THR 67 + HA ALA 66 OK 81 100 - 81 - 3.6=58, 309/2.1=21...(17) H GLY 60 - HA ALA 66 lone 4 99 - 4 - 4277/2.1=1 H ILE 93 - HA ALA 66 lone 4 60 - 7 - 4.0/6020=3, 4277/2.1=1 H ASP 71 - HA ALA 66 lone 3 76 - 4 - H THR 15 - HA ALA 66 lone 2 63 - 3 - H GLY 90 - HA ALA 66 lone 1 99 - 1 - Peak 4277 from cnoeabs.peaks (8.43, 0.96, 23.80 ppm; 3.15 A): 2 out of 12 assignments used, quality = 0.91: * H THR 67 + QB ALA 66 OK 89 100 - 89 - 3.5=71, 308/2.1=36...(14) H THR 67 + QG1 VAL 95 OK 14 62 - 23 - 309=7, 3.0/6097=4...(6) H ILE 93 - QB ALA 66 poor 6 60 - 11 - 4.0/6027=4, 5.0/6853=3...(4) H ILE 93 - QG1 VAL 95 poor 5 30 - 17 - 5.0/6853=6, 4.0/6027=5...(4) H GLY 60 - QB ALA 66 lone 5 99 - 5 - 4276/2.1=2 H ASP 71 - QB ALA 66 lone 3 76 - 4 - 4276/2.1=1 H THR 15 - QB ALA 66 lone 2 63 - 4 - H GLY 90 - QB ALA 66 lone 2 99 - 2 - H ASP 71 - QG1 VAL 95 lone 1 40 - 3 - H GLY 60 - QG1 VAL 95 lone 1 61 - 2 - H THR 15 - QG1 VAL 95 lone 1 32 - 2 - H GLY 90 - QG1 VAL 95 lone 0 60 - 1 - Peak 4278 from cnoeabs.peaks (8.09, 5.75, 59.23 ppm; 3.01 A): 1 out of 6 assignments used, quality = 0.85: * H VAL 68 + HA THR 67 OK 85 100 - 85 - 3.6=60, 4.1/3027=16...(15) H ASN 13 - HA THR 67 lone 9 99 - 9 - 4280/3.2=2, 4279/3.0=2 H THR 59 - HA THR 67 lone 4 78 - 5 - H SER 75 - HA THR 67 lone 3 68 - 4 - H ILE 39 - HA THR 67 lone 3 57 - 5 - 4279/3.0=1 H GLU 23 - HA THR 67 lone 2 60 - 3 - Peak 4279 from cnoeabs.peaks (8.09, 4.10, 70.88 ppm; 3.50 A): 1 out of 6 assignments used, quality = 0.82: * H VAL 68 + HB THR 67 OK 82 100 - 82 - 4.4=50, 311/3.0=33...(11) H ASN 13 - HB THR 67 lone 9 99 - 9 - 4280/2.1=3, 4278/3.0=3 H ILE 39 - HB THR 67 lone 6 57 - 10 - 4.6/6093=2, 4280/2.1=1 H THR 59 - HB THR 67 lone 4 78 - 5 - 4280/2.1=1, 4278/3.0=1 H SER 75 - HB THR 67 lone 2 68 - 4 - 4280/2.1=1 H GLU 23 - HB THR 67 lone 2 60 - 3 - Peak 4280 from cnoeabs.peaks (8.09, 1.45, 22.14 ppm; 3.72 A): 1 out of 6 assignments used, quality = 0.95: * H VAL 68 + QG2 THR 67 OK 95 100 - 95 - 4.1=76, 311/3.2=34...(17) H ASN 13 - QG2 THR 67 OK 14 99 - 14 - 4279/2.1=3, 4278/3.2=3...(5) H THR 59 - QG2 THR 67 lone 6 78 - 7 - 4279/2.1=1, 4278/3.2=1 H SER 75 - QG2 THR 67 lone 5 68 - 8 - 4650/6081=1 H ILE 39 - QG2 THR 67 lone 5 57 - 8 - 4279/2.1=2, 4.6/6091=2 H GLU 23 - QG2 THR 67 lone 3 60 - 4 - Peak 4281 from cnoeabs.peaks (7.68, 4.25, 61.01 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.81: * H SER 69 + HA VAL 68 OK 81 100 - 81 - 3.6=59, 318/3.2=19...(11) H GLN 48 - HA VAL 68 lone 4 78 - 5 - 4284/3.2=2, 4283/3.2=2 HD21 ASN 43 - HA VAL 68 lone 1 63 - 2 - Peak 4282 from cnoeabs.peaks (7.68, 1.35, 34.59 ppm; 5.59 A): 1 out of 1 assignment used, quality = 1.00: * H SER 69 + HB VAL 68 OK 100 100 - 100 - 4.5=100 Peak 4283 from cnoeabs.peaks (7.68, 0.29, 19.51 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H SER 69 + QG2 VAL 68 OK 100 100 - 100 - 4.3=99, 318/2.1=45...(19) H GLN 48 - QG2 VAL 68 OK 14 78 - 17 - 4284/2.1=4, 3.8/6130=2...(6) HD21 ASN 43 - QG2 VAL 68 lone 5 63 - 8 - 5.7/6172=3, 4284/2.1=1 Peak 4284 from cnoeabs.peaks (7.68, 0.01, 20.65 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.89: * H SER 69 + QG1 VAL 68 OK 89 100 - 89 - 4.3=52, 4281/3.2=27...(18) H GLN 48 - QG1 VAL 68 poor 10 78 - 12 - 4283/2.1=3, 5610/5761=1...(4) HD21 ASN 43 - QG1 VAL 68 lone 3 63 - 5 - 5.7/6176=2, 4283/2.1=1 Peak 4285 from cnoeabs.peaks (8.96, 5.24, 57.27 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.88: * H PHE 70 + HA SER 69 OK 88 100 - 88 - 3.6=77, 322/3.0=18...(10) H VAL 18 - HA SER 69 lone 5 68 - 8 - 4638/4561=2, 4546/4551=2...(4) H ASP 56 - HA SER 69 lone 2 83 - 3 - Peak 4286 from cnoeabs.peaks (8.96, 3.70, 64.22 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + HB2 SER 69 OK 100 100 - 100 - 4.5=100 Peak 4287 from cnoeabs.peaks (8.96, 3.63, 64.22 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 70 + HB3 SER 69 OK 100 100 - 100 - 4.5=100 Peak 4288 from cnoeabs.peaks (8.45, 4.82, 58.05 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HA PHE 70 OK 100 100 - 100 - 3.6=100 Peak 4289 from cnoeabs.peaks (8.45, 3.44, 41.65 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HB2 PHE 70 OK 100 100 - 100 - 4.3=100 Peak 4290 from cnoeabs.peaks (8.45, 2.78, 41.65 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + HB3 PHE 70 OK 100 100 - 100 - 4.3=100 Peak 4293 from cnoeabs.peaks (8.45, 7.05, 131.38 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + QD PHE 70 OK 100 100 - 100 - 4.4=100 Peak 4294 from cnoeabs.peaks (8.48, 4.41, 57.16 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.65: H ASP 71 + HA ASP 71 OK 65 65 - 100 - 3.0=100 Reference assignment not found: H ASP 72 - HA ASP 71 Peak 4295 from cnoeabs.peaks (8.48, 2.59, 41.97 ppm; 3.22 A): 3 out of 9 assignments used, quality = 0.86: * H ASP 72 + HB2 ASP 71 OK 63 100 - 63 - 4.5=37, 4296/1.8=15...(9) H ASP 71 + HB2 ASP 71 OK 48 65 - 74 - 3.9=54, 926/1.8=17...(8) H THR 42 + HB2 ASP 71 OK 26 99 - 26 - 4296/1.8=8, 4.6/6243=7...(4) H PHE 83 - HB2 ASP 71 lone 4 100 - 4 - H THR 15 - HB2 ASP 71 lone 3 78 - 4 - H ILE 93 - HB2 ASP 71 lone 3 81 - 3 - H ALA 98 - HB2 ASP 71 lone 2 100 - 2 - H TRP 82 - HB2 ASP 71 lone 2 90 - 2 - H LEU 21 - HB2 ASP 71 lone 2 98 - 2 - Peak 4296 from cnoeabs.peaks (8.48, 2.38, 41.97 ppm; 3.06 A): 3 out of 9 assignments used, quality = 0.85: * H ASP 72 + HB3 ASP 71 OK 61 100 - 61 - 4.5=32, 333/1.8=23...(9) H ASP 71 + HB3 ASP 71 OK 44 65 - 67 - 3.9=47, 925/1.8=16...(9) H THR 42 + HB3 ASP 71 OK 31 99 - 32 - 4.6/6272=6, 3.6/7081=6...(8) H PHE 83 - HB3 ASP 71 lone 4 100 - 4 - H THR 15 - HB3 ASP 71 lone 3 78 - 4 - H ALA 98 - HB3 ASP 71 lone 3 100 - 2 - H ILE 93 - HB3 ASP 71 lone 2 81 - 3 - H TRP 82 - HB3 ASP 71 lone 2 90 - 2 - H LEU 21 - HB3 ASP 71 lone 2 98 - 2 - Peak 4297 from cnoeabs.peaks (8.06, 3.69, 50.29 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.91: * H SER 75 + HD2 PRO 74 OK 86 100 - 86 - 340=40, 341/1.8=37...(7) H THR 59 + HD2 PRO 74 OK 34 100 - 34 - 4298/1.8=11, 4302/2.3=9...(8) H VAL 68 - HD2 PRO 74 poor 9 68 - 13 - 4298/1.8=3, 4302/2.3=2...(5) H SER 75 - HD3 PRO 49 lone 5 70 - 7 - 340=2, 339/2.3=1 H THR 59 - HD3 PRO 49 lone 2 69 - 3 - 262/3.0=1 H VAL 68 - HD3 PRO 49 lone 1 40 - 3 - Peak 4298 from cnoeabs.peaks (8.06, 3.47, 50.29 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.89: * H SER 75 + HD3 PRO 74 OK 85 100 - 85 - 341=38, 340/1.8=31...(12) H THR 59 + HD3 PRO 74 OK 29 100 - 29 - 4297/1.8=8, 4302/2.3=7...(8) H VAL 68 - HD3 PRO 74 poor 8 68 - 12 - 4297/1.8=2, 6303/6295=2...(5) Peak 4299 from cnoeabs.peaks (8.06, 4.40, 65.89 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + HA PRO 74 OK 100 100 - 100 - 3.5=100 Peak 4300 from cnoeabs.peaks (8.06, 1.84, 30.96 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + HB2 PRO 74 OK 100 100 - 100 - 3.9=100 Peak 4301 from cnoeabs.peaks (8.06, 2.38, 30.96 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H SER 75 + HB3 PRO 74 OK 100 100 - 100 - 3.9=100 Peak 4302 from cnoeabs.peaks (8.06, 2.10, 28.21 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.93: * H SER 75 + HG2 PRO 74 OK 90 100 - 90 - 341/2.3=35, 340/2.3=34...(12) H THR 59 + HG2 PRO 74 OK 30 100 - 30 - 4298/2.3=10, 4297/2.3=9...(4) H VAL 68 - HG2 PRO 74 poor 8 68 - 11 - 4298/2.3=3, 4297/2.3=2...(5) Peak 4303 from cnoeabs.peaks (8.06, 1.98, 28.21 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.94: * H SER 75 + HG3 PRO 74 OK 91 100 - 91 - 341/2.3=37, 340/2.3=36...(9) H THR 59 + HG3 PRO 74 OK 30 100 - 30 - 4298/2.3=11, 4302/1.8=10 H VAL 68 - HG3 PRO 74 poor 8 68 - 11 - 4298/2.3=3, 4297/2.3=3 H SER 75 - HB3 GLU 28 lone 4 81 - 5 - 339=1 H THR 59 - HB3 GLU 28 lone 4 80 - 5 - 5905/3.0=2, 262/3.0=1 H VAL 68 - HB3 GLU 28 lone 4 48 - 8 - 6166/3.7=3, 4.1/4998=2 Peak 4304 from cnoeabs.peaks (7.44, 4.02, 61.55 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + HA SER 75 OK 100 100 - 100 - 3.6=100 Peak 4305 from cnoeabs.peaks (7.44, 3.04, 62.72 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + HB2 SER 75 OK 100 100 - 100 - 4.6=100 Peak 4306 from cnoeabs.peaks (7.44, 3.88, 62.72 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 76 + HB3 SER 75 OK 100 100 - 100 - 4.6=100 Peak 4307 from cnoeabs.peaks (7.20, 3.60, 54.83 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HA ALA 76 OK 100 100 - 100 - 3.6=100 Peak 4308 from cnoeabs.peaks (7.20, 1.60, 17.70 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.98: * H LYS 77 + QB ALA 76 OK 98 100 - 98 - 3.6=96, 346/2.9=26...(9) HD22 ASN 14 - QB ALA 76 OK 45 98 - 46 - 4.4/6378=16, 1117/2.9=8...(8) HD22 ASN 43 - QB ALA 76 lone 4 100 - 3 - 1117/2.9=2 QD TYR 54 - QB ALA 76 lone 3 71 - 4 - 1117/2.9=1 Peak 4309 from cnoeabs.peaks (7.87, 3.79, 58.58 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 78 + HA LYS 77 OK 100 100 - 100 - 3.6=100 Peak 4310 from cnoeabs.peaks (7.87, 1.98, 32.15 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.91: * H ALA 78 + HB2 LYS 77 OK 91 100 - 91 - 4.7=50, 4311/1.8=33...(17) H ALA 78 - HB VAL 25 lone 6 87 - 6 - 351=2 Peak 4311 from cnoeabs.peaks (7.87, 2.11, 32.15 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.95: * H ALA 78 + HB3 LYS 77 OK 95 100 - 95 - 4.7=63, 4310/1.8=39...(17) Peak 4312 from cnoeabs.peaks (7.87, 1.57, 24.86 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.99: * H ALA 78 + HG2 LYS 77 OK 93 100 - 93 - 4310/2.9=34, 4311/2.9=33...(20) H ALA 78 + HG3 LYS 77 OK 93 100 - 93 - 4310/2.9=34, 4311/2.9=33...(20) H ALA 78 - HG3 LYS 44 OK 27 88 - 31 - 353=5, 3.0/6439=3...(14) Peak 4313 from cnoeabs.peaks (7.87, 1.57, 24.86 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.99: H ALA 78 + HG2 LYS 77 OK 93 100 - 93 - 4310/2.9=34, 4311/2.9=33...(20) * H ALA 78 + HG3 LYS 77 OK 93 100 - 93 - 4310/2.9=34, 4311/2.9=33...(20) H ALA 78 - HG3 LYS 44 OK 26 86 - 31 - 353=5, 3.0/6439=3...(14) Peak 4314 from cnoeabs.peaks (7.87, 1.70, 28.52 ppm; 5.73 A): 1 out of 10 assignments used, quality = 0.95: * H ALA 78 + HD2 LYS 77 OK 95 100 - 95 - 4311/3.7=44, 4310/3.7=43...(15) H ALA 78 - HD3 LYS 44 OK 33 72 - 46 - 4312/3.0=6, 355=4...(15) H ALA 78 - HD2 LYS 44 OK 32 69 - 46 - 4312/3.0=6, 355/1.8=4...(15) H ALA 78 - HD2 LYS 45 OK 25 100 - 24 - 355=3, 950/2.9=3...(11) H ALA 78 - HD3 LYS 45 OK 23 100 - 23 - 355/1.8=3, 950/2.9=3...(9) H ALA 78 - HD3 LYS 61 OK 14 60 - 24 - 355=2, 355/1.8=2...(12) H ALA 78 - HD2 LYS 61 OK 14 60 - 24 - 355=2, 355/1.8=2...(12) H ALA 78 - HD3 LYS 63 poor 8 52 - 15 - 3.6/3256=3, 356/3.9=2...(5) H ALA 78 - HD3 LYS 94 lone 5 56 - 10 - H ALA 78 - HD2 LYS 94 lone 5 56 - 10 - Peak 4318 from cnoeabs.peaks (8.12, 4.16, 54.45 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 79 + HA ALA 78 OK 100 100 - 100 - 3.6=100 Peak 4319 from cnoeabs.peaks (8.12, 1.40, 17.56 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.92: * H ALA 79 + QB ALA 78 OK 91 100 - 91 - 3.7=76, 359/2.9=29...(14) H ILE 39 + QB ALA 78 OK 12 100 - 12 - 1119/2.9=3, 5323/6456=2...(4) H GLU 23 - QB ALA 78 lone 5 99 - 5 - 1119/2.9=2 H ASN 13 - QB ALA 78 lone 2 63 - 4 - 4.0/6446=1 Peak 4320 from cnoeabs.peaks (7.57, 4.27, 55.09 ppm; 3.32 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 80 + HA ALA 79 OK 92 100 - 92 - 3.6=80, 364/2.1=23...(16) QD PHE 83 + HA ALA 79 OK 57 93 - 62 - 4799=18, 4321/2.1=11...(21) HE21 GLN 48 - HA ALA 79 OK 14 97 - 14 - 4321/2.1=4, 1120/3.0=3...(4) Peak 4321 from cnoeabs.peaks (7.57, 1.67, 18.80 ppm; 3.16 A): 3 out of 3 assignments used, quality = 0.94: * H ILE 80 + QB ALA 79 OK 86 100 - 86 - 3.7=63, 362/2.9=20...(15) QD PHE 83 + QB ALA 79 OK 52 93 - 56 - 4799/2.1=12, 2.2/6464=8...(17) HE21 GLN 48 + QB ALA 79 OK 16 97 - 15 - 1120/2.9=3, 1.7/6464=3...(5) Peak 4322 from cnoeabs.peaks (7.96, 3.42, 65.57 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 81 + HA ILE 80 OK 100 100 - 100 - 3.6=100 Peak 4323 from cnoeabs.peaks (7.96, 1.72, 38.41 ppm; 3.52 A): 3 out of 5 assignments used, quality = 0.92: * H ASP 81 + HB ILE 80 OK 81 100 - 81 - 4.5=49, 4324/2.1=16...(15) H ASP 84 + HB ILE 80 OK 44 100 - 45 - 4324/2.1=10, 367=8...(11) H VAL 30 + HB ILE 80 OK 20 92 - 21 - 4324/2.1=5, 4327/3.2=4...(7) HE21 GLN 19 - HB ILE 80 lone 8 99 - 8 - 4327/3.2=2, 4324/2.1=2...(4) HD21 ASN 14 - HB ILE 80 lone 2 65 - 4 - ~4491=1 Peak 4324 from cnoeabs.peaks (7.96, 0.84, 16.66 ppm; 3.51 A): 3 out of 5 assignments used, quality = 0.95: * H ASP 81 + QG2 ILE 80 OK 85 100 - 85 - 4.4=52, 367/2.1=20...(15) H ASP 84 + QG2 ILE 80 OK 56 100 - 56 - 4323/2.1=9, 4.0/6639=8...(16) H VAL 30 + QG2 ILE 80 OK 28 92 - 31 - 4323/2.1=4, 700=4...(9) HE21 GLN 19 - QG2 ILE 80 lone 10 99 - 10 - 4327/3.0=2, 4323/2.1=2...(4) HD21 ASN 14 - QG2 ILE 80 lone 3 65 - 4 - ~4491=1 Peak 4325 from cnoeabs.peaks (7.96, 1.45, 29.07 ppm; 5.19 A): 3 out of 5 assignments used, quality = 0.98: * H ASP 81 + HG12 ILE 80 OK 87 100 - 87 - 4.6/958=28, 371/2.1=25...(14) H ASP 84 + HG12 ILE 80 OK 64 100 - 65 - 4324/3.2=14, 4327/2.1=13...(11) H VAL 30 + HG12 ILE 80 OK 48 92 - 52 - ~5105=9, 4327/2.1=9...(15) HE21 GLN 19 - HG12 ILE 80 OK 16 99 - 16 - 4327/2.1=5, 4323/2.9=3...(5) HD21 ASN 14 - HG12 ILE 80 lone 3 65 - 5 - Peak 4327 from cnoeabs.peaks (7.96, -0.18, 12.89 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.97: * H ASP 81 + QD1 ILE 80 OK 86 100 - 86 - 371=26, 4.4/3372=24...(17) H ASP 84 + QD1 ILE 80 OK 66 100 - 67 - 4324/3.0=12, 371=11...(15) H VAL 30 + QD1 ILE 80 OK 45 92 - 48 - 3.9/5108=9, 3.0/5105=9...(14) HE21 GLN 19 - QD1 ILE 80 OK 25 99 - 25 - 6.6/4729=5, 5.6/6531=4...(9) HD21 ASN 14 - QD1 ILE 80 lone 3 65 - 5 - Peak 4328 from cnoeabs.peaks (8.49, 4.31, 56.84 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 82 + HA ASP 81 OK 100 100 - 100 - 3.6=100 Peak 4329 from cnoeabs.peaks (8.49, 2.72, 40.30 ppm; 3.86 A): 3 out of 6 assignments used, quality = 0.90: * H TRP 82 + HB2 ASP 81 OK 84 100 - 84 - 4.4=67, 375/1.8=32...(6) H PHE 83 + HB2 ASP 81 OK 29 92 - 32 - 4.6/374=10, 4330/1.8=9...(7) H ALA 98 + HB2 ASP 81 OK 15 85 - 17 - 4330/1.8=3, 7009=2...(7) H ASP 72 - HB2 ASP 81 poor 10 90 - 10 - 930=2, 4330/1.8=2, 1122/4.0=1 H THR 42 - HB2 ASP 81 lone 4 78 - 5 - H LEU 21 - HB2 ASP 81 lone 3 71 - 4 - Peak 4330 from cnoeabs.peaks (8.49, 2.63, 40.30 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.86: * H TRP 82 + HB3 ASP 81 OK 80 100 - 80 - 4.4=62, 4329/1.8=21...(6) H PHE 83 + HB3 ASP 81 OK 30 92 - 33 - 4.6/375=15, 1124/4.0=8...(6) H ALA 98 - HB3 ASP 81 poor 9 85 - 11 - 4329/1.8=4, 1122/4.0=1...(4) H ASP 72 - HB3 ASP 81 lone 7 90 - 8 - 4329/1.8=2, 375=2, 1122/4.0=1 H THR 42 - HB3 ASP 81 lone 3 78 - 4 - H LEU 21 - HB3 ASP 81 lone 2 71 - 3 - Peak 4339 from cnoeabs.peaks (7.95, 4.66, 59.51 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HA PHE 83 OK 100 100 - 100 - 3.6=100 Peak 4340 from cnoeabs.peaks (7.95, 3.43, 40.44 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HB2 PHE 83 OK 100 100 - 100 - 4.3=100 Peak 4341 from cnoeabs.peaks (7.95, 3.48, 40.44 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HB3 PHE 83 OK 100 100 - 100 - 4.3=100 Peak 4345 from cnoeabs.peaks (8.62, 4.46, 58.26 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.83: * H GLY 85 + HA ASP 84 OK 83 100 - 83 - 3.6=63, 1125/2.9=13...(12) H GLY 47 - HA ASP 84 lone 5 78 - 6 - 6925/6619=1 Peak 4346 from cnoeabs.peaks (8.62, 3.19, 41.76 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 85 + HB2 ASP 84 OK 100 100 - 100 - 4.5=100 Peak 4347 from cnoeabs.peaks (8.62, 2.78, 41.76 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 85 + HB3 ASP 84 OK 100 100 - 100 - 4.5=100 Peak 4348 from cnoeabs.peaks (8.01, 3.88, 45.91 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA2 GLY 85 OK 100 100 - 100 - 3.6=100 Peak 4349 from cnoeabs.peaks (8.01, 4.26, 45.91 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA3 GLY 85 OK 100 100 - 100 - 3.6=100 Peak 4350 from cnoeabs.peaks (8.19, 4.46, 54.83 ppm; 3.10 A): 2 out of 2 assignments used, quality = 0.90: * H GLU 87 + HA LYS 86 OK 88 100 - 88 - 3.6=66, 403/3.0=25...(10) H GLY 20 + HA LYS 86 OK 20 83 - 25 - 4351/3.0=5, 1127/3.0=5...(8) Peak 4351 from cnoeabs.peaks (8.19, 2.07, 32.16 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.91: * H GLU 87 + HB2 LYS 86 OK 87 100 - 88 - 403=47, 404/1.8=35...(8) H GLY 20 + HB2 LYS 86 OK 26 83 - 31 - 4352/1.8=8, 4350/3.0=5...(7) Peak 4352 from cnoeabs.peaks (8.19, 2.28, 32.16 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.94: * H GLU 87 + HB3 LYS 86 OK 92 100 - 92 - 4.6=50, 403/1.8=43...(8) H GLY 20 + HB3 LYS 86 OK 31 83 - 37 - 4351/1.8=9, 4350/3.0=6...(8) H GLY 20 - HG2 MET 50 lone 5 68 - 8 - ~5691=2, ~5677=1...(5) H GLU 87 - HG2 MET 50 lone 3 89 - 3 - 404=1 Peak 4353 from cnoeabs.peaks (8.19, 1.50, 25.90 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 87 + HG2 LYS 86 OK 100 100 - 100 - 4.8=95, 403/2.8=45...(9) H GLY 20 - HG2 LYS 86 OK 43 83 - 51 - 4354/1.8=12, 4355/3.0=10...(7) Peak 4354 from cnoeabs.peaks (8.19, 1.25, 25.90 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 87 + HG3 LYS 86 OK 100 100 - 100 - 4.8=100 H GLY 20 - HG3 LYS 86 OK 43 83 - 52 - 4353/1.8=12, 4355/3.0=11...(7) Peak 4355 from cnoeabs.peaks (8.19, 1.54, 27.73 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.96: * H GLU 87 + HD2 LYS 86 OK 93 100 - 93 - 403/3.4=41, 404/3.4=38...(9) H GLY 20 + HD2 LYS 86 OK 42 83 - 51 - 4353/3.0=10, 4354/3.0=10...(10) Peak 4356 from cnoeabs.peaks (8.19, 1.42, 27.73 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 87 + HD3 LYS 86 OK 95 100 - 95 - 403/3.4=43, 404/3.4=40...(9) H GLY 20 + HD3 LYS 86 OK 43 83 - 51 - 4355/1.8=13, 4353/3.0=10...(7) H GLY 20 - HG13 ILE 51 OK 22 71 - 32 - 4753/2.1=8, 4752/3.2=8...(7) H GLU 87 - HG13 ILE 51 lone 9 92 - 9 - 408=2, 5.0/5737=2...(4) Peak 4359 from cnoeabs.peaks (9.16, 4.70, 55.31 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HA GLU 87 OK 100 100 - 100 - 3.6=100 Peak 4360 from cnoeabs.peaks (9.16, 1.88, 31.71 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HB2 GLU 87 OK 100 100 - 100 - 4.1=100 Peak 4361 from cnoeabs.peaks (9.16, 1.56, 31.71 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 88 + HB3 GLU 87 OK 100 100 - 100 - 4.1=100 Peak 4362 from cnoeabs.peaks (9.16, 1.80, 36.11 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.93: * H PHE 88 + HG2 GLU 87 OK 93 100 - 93 - 412/3.8=40, 4363/1.8=35...(11) Peak 4363 from cnoeabs.peaks (9.16, 2.20, 36.11 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.93: * H PHE 88 + HG3 GLU 87 OK 93 100 - 93 - 4362/1.8=41, 412/3.8=41...(11) H PHE 88 + HG2 GLU 65 OK 11 97 - 11 - 4.6/1005=2, 3.0/6688=2 Peak 4364 from cnoeabs.peaks (8.43, 3.80, 58.05 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 90 + HA SER 89 OK 100 100 - 100 - 3.6=100 Peak 4366 from cnoeabs.peaks (8.43, 4.00, 62.26 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 90 + HB3 SER 89 OK 100 100 - 100 - 4.6=100 Peak 4367 from cnoeabs.peaks (7.76, 3.60, 44.75 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 91 + HA2 GLY 90 OK 100 100 - 100 - 3.6=100 Peak 4368 from cnoeabs.peaks (7.76, 4.16, 44.75 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 91 + HA3 GLY 90 OK 100 100 - 100 - 3.6=100 Peak 4371 from cnoeabs.peaks (8.46, 4.66, 62.40 ppm; 3.24 A): 2 out of 11 assignments used, quality = 0.86: * H ILE 93 + HA PRO 92 OK 84 100 - 84 - 3.5=76, 4373/2.3=9...(9) H LEU 21 + HA PRO 92 OK 11 96 - 12 - 423=3, 4373/2.3=2...(6) H ASP 71 - HA PRO 92 lone 8 99 - 8 - 6253/3.6=2, 4373/2.3=1...(5) H GLY 90 - HA PRO 92 lone 6 78 - 8 - 4375/3.8=1, 4373/2.3=1 H THR 42 - HA PRO 92 lone 4 92 - 4 - H PHE 83 - HA PRO 92 lone 3 78 - 4 - 4.4/4612=1 H THR 15 - HA PRO 92 lone 2 100 - 2 - H ALA 98 - HA PRO 92 lone 2 87 - 3 - H ASP 72 - HA PRO 92 lone 2 81 - 3 - H GLY 60 - HA PRO 92 lone 1 76 - 2 - H THR 67 - HA PRO 92 lone 1 60 - 1 - Peak 4372 from cnoeabs.peaks (8.46, 1.87, 31.46 ppm; 3.98 A): 1 out of 22 assignments used, quality = 0.97: * H ILE 93 + HB2 PRO 92 OK 97 100 - 97 - 4.1=93, 423/2.3=31...(6) H GLY 90 - HB2 GLU 87 OK 32 47 - 67 - ~6687=15, 6739/1.8=11...(13) H ILE 93 - HB2 GLU 87 OK 27 70 - 40 - 6795/4.1=14, 7206/3.0=14...(7) H ASP 71 - HB2 PRO 92 OK 16 99 - 16 - 6253/3.0=4, 4371/2.3=3...(6) H LEU 21 - HB2 PRO 92 OK 14 96 - 15 - 4371/2.3=4, 4375/2.3=3...(5) H LEU 21 - HB2 GLU 87 OK 14 63 - 22 - 6699/4.1=5, 6696/3.0=4...(7) H GLY 90 - HB2 PRO 92 OK 11 78 - 14 - 4375/2.3=2, 4371/2.3=2...(8) H ALA 98 - HB2 GLU 87 lone 5 54 - 10 - 6699/4.1=2, 7010=2...(6) H THR 42 - HB2 PRO 92 lone 5 92 - 6 - 4374/2.3=1, 4371/2.3=1 H THR 15 - HB2 PRO 92 lone 4 100 - 4 - H ALA 98 - HB2 PRO 92 lone 4 87 - 5 - H PHE 83 - HB2 GLU 87 lone 4 47 - 9 - 6693/4.0=2, 6699/4.1=1...(5) H ASP 72 - HB2 PRO 92 lone 3 81 - 4 - H THR 42 - HB2 GLU 87 lone 3 59 - 5 - 6693/4.0=1 H PHE 83 - HB2 PRO 92 lone 3 78 - 4 - 4371/2.3=1 H ASP 72 - HB2 GLU 87 lone 3 49 - 5 - H GLY 60 - HB2 PRO 92 lone 3 76 - 3 - H ASP 71 - HB2 GLU 87 lone 2 68 - 3 - H THR 15 - HB2 GLU 87 lone 2 70 - 3 - H THR 67 - HB2 PRO 92 lone 2 60 - 3 - H GLY 60 - HB2 GLU 87 lone 2 46 - 4 - H THR 67 - HB2 GLU 87 lone 1 35 - 2 - Peak 4373 from cnoeabs.peaks (8.46, 2.17, 31.46 ppm; 4.00 A): 1 out of 33 assignments used, quality = 0.98: * H ILE 93 + HB3 PRO 92 OK 98 100 - 98 - 4.1=95, 423/2.3=31...(8) H LEU 21 - HB3 PRO 92 OK 19 96 - 20 - 4371/2.3=4, 4375/2.3=3...(9) H LEU 21 - HB VAL 30 OK 16 55 - 29 - 4.7/4804=5, 4813/2.1=4...(9) H ASP 71 - HB3 PRO 92 OK 15 99 - 15 - 6253/3.0=4, 4375/2.3=3...(5) H GLY 90 - HB3 PRO 92 OK 12 78 - 16 - 4.6/6747=4, 4375/2.3=2...(8) H ILE 93 - HB VAL 30 OK 11 62 - 17 - 4.0/6833=4, 4.0/6831=2...(6) H ILE 93 - HB3 LYS 35 lone 6 63 - 9 - 426/1.8=2, 425=2...(5) H THR 42 - HB3 PRO 92 lone 6 92 - 6 - 4374/2.3=1, 4371/2.3=1 H THR 42 - HB VAL 30 poor 6 52 - 11 - 778/3.0=4, 174/4.4=3, 779/2.1=1 H THR 15 - HB3 PRO 92 lone 5 100 - 4 - H ALA 98 - HB3 PRO 92 lone 4 87 - 4 - H PHE 83 - HB VAL 30 lone 4 41 - 10 - 6609/2.1=2, 6609/2.1=2 H THR 15 - HB3 LYS 35 lone 4 63 - 6 - 4562/3.0=2, 7168/3.8=1 H PHE 83 - HB3 PRO 92 lone 4 78 - 5 - 4371/2.3=1 H ASP 71 - HB VAL 30 lone 3 60 - 6 - 6241/4.4=3 H GLY 60 - HB3 PRO 92 lone 3 76 - 4 - H THR 15 - HB VAL 30 lone 3 62 - 5 - ~4564=2 H ASP 72 - HB3 PRO 92 lone 3 81 - 4 - H THR 67 - HB VAL 30 poor 3 30 - 11 - 6100/2.1=2, 4.6/305=2...(4) H ALA 98 - HB VAL 30 lone 3 47 - 6 - 7017/2.1=2, 7017/2.1=2 H LEU 21 - HB3 LYS 35 lone 3 56 - 5 - H GLY 60 - HB3 LYS 35 lone 2 41 - 6 - 4.4/4442=1, 4.2/5919=1 H THR 67 - HB3 PRO 92 lone 2 60 - 3 - H THR 42 - HB3 LYS 35 lone 2 53 - 3 - H ASP 71 - HB3 LYS 35 lone 1 61 - 2 - H THR 67 - HB3 LYS 35 lone 1 31 - 3 - H ALA 98 - HB3 LYS 35 lone 1 49 - 2 - H GLY 60 - HB VAL 30 lone 1 40 - 2 - H ASP 72 - HB VAL 30 lone 1 43 - 2 - H PHE 83 - HB3 LYS 35 lone 1 42 - 2 - H ASP 72 - HB3 LYS 35 lone 1 44 - 2 - H GLY 90 - HB VAL 30 lone 1 41 - 1 - H GLY 90 - HB3 LYS 35 lone 1 42 - 1 - Peak 4374 from cnoeabs.peaks (8.46, 2.02, 27.57 ppm; 5.29 A): 5 out of 22 assignments used, quality = 0.87: * H ILE 93 + HG2 PRO 92 OK 72 100 - 72 - 423/3.8=32, 426=24...(5) H ASP 71 + HG2 PRO 92 OK 23 99 - 23 - 6253/2.3=7, 4375/1.8=5...(5) H LEU 21 + HG2 PRO 92 OK 22 96 - 23 - 4375/1.8=6, 426=4...(6) H GLY 90 + HG2 PRO 92 OK 15 78 - 19 - 4375/1.8=5, ~6686=3...(7) H THR 42 + HG2 PRO 92 OK 13 92 - 13 - 7205=3, 4375/1.8=2...(6) H THR 42 - HG2 PRO 49 poor 9 39 - 24 - 4558/3.8=9, 3.0/5026=4...(6) H THR 15 - HG2 PRO 92 lone 7 100 - 7 - 4375/1.8=2 H ASP 72 - HG2 PRO 92 lone 6 81 - 7 - 426=1, 4375/1.8=1 H ALA 98 - HG2 PRO 92 lone 5 87 - 6 - 4375/1.8=1, 7010/2.3=1 H PHE 83 - HG2 PRO 92 lone 4 78 - 5 - 4371/3.8=1, 4375/1.8=1 H GLY 60 - HG2 PRO 92 lone 4 76 - 5 - 4375/1.8=1 H ASP 72 - HG2 PRO 49 lone 3 32 - 9 - ~6287=3, ~6343=2 H THR 15 - HG2 PRO 49 lone 3 47 - 6 - 4558/3.8=1 H LEU 21 - HG2 PRO 49 lone 3 42 - 6 - H ASP 71 - HG2 PRO 49 lone 3 46 - 6 - H THR 67 - HG2 PRO 92 lone 2 60 - 4 - H ALA 98 - HG2 PRO 49 lone 2 36 - 5 - 4.6/4202=2 H PHE 83 - HG2 PRO 49 lone 2 31 - 6 - ~5634=1 H ILE 93 - HG2 PRO 49 lone 2 47 - 4 - H GLY 90 - HG2 PRO 49 lone 1 31 - 4 - H THR 67 - HG2 PRO 49 lone 1 22 - 4 - H GLY 60 - HG2 PRO 49 lone 1 30 - 2 - Peak 4375 from cnoeabs.peaks (8.46, 2.17, 27.57 ppm; 5.00 A): 4 out of 11 assignments used, quality = 0.85: * H ILE 93 + HG3 PRO 92 OK 70 100 - 70 - 423/3.8=30, 426/1.8=20...(8) H LEU 21 + HG3 PRO 92 OK 24 96 - 25 - 4374/1.8=4, 4373/2.3=4...(9) H ASP 71 + HG3 PRO 92 OK 20 99 - 20 - 6253/2.3=6, 4374/1.8=4...(5) H GLY 90 + HG3 PRO 92 OK 18 78 - 23 - 4.6/6747=7, 4374/1.8=3...(8) H THR 42 - HG3 PRO 92 lone 7 92 - 8 - 4374/1.8=2, 4371/3.8=1 H THR 15 - HG3 PRO 92 lone 6 100 - 6 - 4374/1.8=1 H ALA 98 - HG3 PRO 92 lone 5 87 - 6 - 7010/2.3=1, 4374/1.8=1 H GLY 60 - HG3 PRO 92 lone 5 76 - 6 - H PHE 83 - HG3 PRO 92 lone 4 78 - 6 - 4371/3.8=1 H ASP 72 - HG3 PRO 92 lone 4 81 - 5 - 426/1.8=1 H THR 67 - HG3 PRO 92 lone 3 60 - 4 - Peak 4376 from cnoeabs.peaks (8.35, 5.15, 59.30 ppm; 3.07 A): 3 out of 4 assignments used, quality = 0.88: * H LYS 94 + HA ILE 93 OK 82 100 - 82 - 3.6=63, 4.4/3817=15...(12) H ASN 52 + HA ILE 93 OK 20 97 - 20 - 231/3.2=6, 4377/3.0=4...(7) H LYS 35 + HA ILE 93 OK 15 98 - 15 - 4378/3.2=4, 4377/3.0=3...(5) H GLY 64 - HA ILE 93 poor 10 73 - 14 - 3.0/6830=2, 4377/3.0=2...(7) Peak 4377 from cnoeabs.peaks (8.35, 1.81, 41.62 ppm; 3.24 A): 4 out of 4 assignments used, quality = 0.89: * H LYS 94 + HB ILE 93 OK 79 100 - 79 - 4.4=39, 431/3.0=29...(17) H ASN 52 + HB ILE 93 OK 24 97 - 25 - 231/2.1=9, 4376/3.0=4...(7) H LYS 35 + HB ILE 93 OK 19 98 - 20 - 4378/2.1=6, 4376/3.0=3...(6) H GLY 64 + HB ILE 93 OK 11 73 - 15 - 4378/2.1=2, 4376/3.0=2...(8) Peak 4378 from cnoeabs.peaks (8.35, 0.72, 18.30 ppm; 3.59 A): 3 out of 4 assignments used, quality = 0.96: * H LYS 94 + QG2 ILE 93 OK 88 100 - 88 - 4.4=56, 431/3.2=33...(15) H ASN 52 + QG2 ILE 93 OK 43 97 - 44 - 231=13, 4377/2.1=7...(16) H LYS 35 + QG2 ILE 93 OK 40 98 - 41 - 4377/2.1=5, 5226=5...(14) H GLY 64 - QG2 ILE 93 OK 16 73 - 22 - 4377/2.1=3, 4376/3.2=2...(10) Peak 4379 from cnoeabs.peaks (8.35, 1.36, 24.52 ppm; 5.41 A): 2 out of 4 assignments used, quality = 0.96: * H LYS 94 + HG12 ILE 93 OK 93 100 - 93 - 431/4.2=45, 434=33...(12) H ASN 52 + HG12 ILE 93 OK 44 97 - 46 - 231/3.2=13, 4381/2.1=11...(7) H LYS 35 - HG12 ILE 93 OK 41 98 - 42 - 4378/3.2=10, 4381/2.1=10...(9) H GLY 64 - HG12 ILE 93 OK 26 73 - 36 - ~5992=6, 4381/2.1=5...(11) Peak 4380 from cnoeabs.peaks (8.35, 1.52, 24.52 ppm; 4.28 A): 3 out of 12 assignments used, quality = 0.97: * H LYS 94 + HG13 ILE 93 OK 85 100 - 85 - 431/4.2=33, 4377/3.0=24...(14) H LYS 94 + HG2 LYS 94 OK 68 73 - 93 - 4.9=66, 3854/2.9=26...(17) H ASN 52 + HG13 ILE 93 OK 40 97 - 41 - 231/3.2=10, 4381/2.1=7...(9) H LYS 35 - HG13 ILE 93 OK 31 98 - 31 - 4378/3.2=8, 4381/2.1=7...(7) H GLY 64 - HG13 ILE 93 OK 21 73 - 28 - ~5992=4, 4381/2.1=4...(10) H LYS 35 - HG2 LYS 94 OK 13 69 - 19 - 3884/1.8=4, 3854/2.9=4...(5) H ASN 52 - HG2 LYS 94 OK 12 66 - 18 - 3884/1.8=4, 3864/2.9=4...(5) H LYS 94 - HG3 LYS 41 poor 10 81 - 12 - 1034=2, 3.6/3831=1, 3.0/3848=1 H GLY 64 - HG2 LYS 94 poor 9 46 - 20 - 3884/1.8=4, 3864/2.9=4...(6) H ASN 52 - HG3 LYS 41 lone 4 74 - 6 - 4.1/7093=2, 230/3.0=1 H GLY 64 - HG3 LYS 41 lone 2 52 - 4 - ~7084=1 H LYS 35 - HG3 LYS 41 lone 2 77 - 2 - Peak 4381 from cnoeabs.peaks (8.35, 0.79, 14.80 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.97: * H LYS 94 + QD1 ILE 93 OK 91 100 - 91 - 431/4.2=38, 4.4/3840=26...(20) H ASN 52 + QD1 ILE 93 OK 50 97 - 51 - 231/3.1=12, 4.1/3840=8...(15) H LYS 35 + QD1 ILE 93 OK 46 98 - 46 - 4.2/6839=11, 4378/3.1=9...(13) H GLY 64 - QD1 ILE 93 OK 25 73 - 34 - 3.0/5992=7, 3.0/5995=4...(11) Peak 4382 from cnoeabs.peaks (9.37, 5.19, 53.90 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.83: * H VAL 95 + HA LYS 94 OK 83 100 - 83 - 3.6=55, 4383/3.0=15...(19) Peak 4383 from cnoeabs.peaks (9.37, 1.82, 34.87 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.94: * H VAL 95 + HB2 LYS 94 OK 94 100 - 94 - 4.6=64, 4382/3.0=39...(14) Peak 4384 from cnoeabs.peaks (9.37, 1.54, 34.87 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + HB3 LYS 94 OK 100 100 - 100 - 4.6=100 Peak 4385 from cnoeabs.peaks (9.37, 1.51, 24.25 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 95 + HG2 LYS 94 OK 99 100 - 99 - 4.9=87, 4383/2.9=38...(14) H VAL 95 - HG13 ILE 93 OK 38 73 - 52 - 3.6/3875=10, 441=9...(11) Peak 4386 from cnoeabs.peaks (9.37, 1.44, 24.25 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 95 + HG3 LYS 94 OK 100 100 - 100 - 4.9=100 Peak 4391 from cnoeabs.peaks (8.93, 4.96, 60.90 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.78: * H SER 96 + HA VAL 95 OK 73 100 - 73 - 3.6=58, 451/3.2=15...(6) H VAL 18 + HA VAL 95 OK 17 99 - 17 - 4708/3.2=7, 4393/3.2=5...(4) H ALA 66 - HA VAL 95 lone 4 99 - 4 - 4393/3.2=2 H ASP 56 - HA VAL 95 lone 1 93 - 1 - Peak 4392 from cnoeabs.peaks (8.93, 1.95, 34.67 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * H SER 96 + HB VAL 95 OK 100 100 - 100 - 4.4=100 Peak 4393 from cnoeabs.peaks (8.93, 1.10, 22.24 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.99: * H SER 96 + QG2 VAL 95 OK 98 100 - 98 - 4.2=88, 451/2.1=33...(18) H VAL 18 + QG2 VAL 95 OK 72 99 - 73 - 3.9/6907=30, 4708/2.1=16...(10) H ALA 66 - QG2 VAL 95 OK 22 99 - 22 - 6033/6907=11...(7) H ASP 56 - QG2 VAL 95 lone 5 93 - 5 - 6033/6907=1 Peak 4394 from cnoeabs.peaks (8.93, 0.98, 24.04 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.59: H ALA 66 + QB ALA 66 OK 59 59 - 100 - 2.9=100 Reference assignment not found: H SER 96 - QG1 VAL 95 Peak 4395 from cnoeabs.peaks (8.89, 4.70, 56.52 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.88: * H PHE 97 + HA SER 96 OK 88 100 - 88 - 3.6=79, 455/3.0=22...(7) H MET 50 - HA SER 96 lone 8 96 - 8 - 4397/3.0=3, 4396/3.0=2 Peak 4396 from cnoeabs.peaks (8.89, 4.11, 66.07 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.80: * H PHE 97 + HB2 SER 96 OK 80 100 - 80 - 4.5=49, 455/1.8=34...(7) H MET 50 - HB2 SER 96 lone 8 96 - 8 - 4397/1.8=4, 4395/3.0=2 Peak 4397 from cnoeabs.peaks (8.89, 3.97, 66.07 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.86: * H PHE 97 + HB3 SER 96 OK 84 100 - 84 - 4.5=57, 4396/1.8=36...(7) H MET 50 + HB3 SER 96 OK 12 96 - 12 - 4396/1.8=4, 4395/3.0=3...(4) Peak 4398 from cnoeabs.peaks (8.47, 4.77, 60.47 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 98 + HA PHE 97 OK 100 100 - 100 - 3.6=100 Peak 4399 from cnoeabs.peaks (8.47, 3.19, 39.41 ppm; 4.11 A): 1 out of 9 assignments used, quality = 0.97: * H ALA 98 + HB2 PHE 97 OK 97 100 - 97 - 4.4=84, 457/3.0=35...(13) H LEU 21 - HB2 PHE 97 OK 41 99 - 41 - 4796/3.0=10, 4400/1.8=7...(8) H PHE 83 - HB2 PHE 97 OK 16 100 - 16 - 4400/1.8=2, 4.7/985=2...(8) H THR 42 - HB2 PHE 97 OK 14 100 - 14 - 5506/4.0=7, 4540/2.4=3 H THR 15 - HB2 PHE 97 OK 13 85 - 15 - 4540/2.4=6, 4400/1.8=2...(6) H TRP 82 - HB2 PHE 97 OK 12 85 - 14 - 3.6/4496=3, 4.6/985=2...(6) H ILE 93 - HB2 PHE 97 poor 9 87 - 11 - 4400/1.8=3, 4754/2.4=2...(4) H ASP 72 - HB2 PHE 97 lone 6 100 - 6 - 4754/2.4=1 H ASP 71 - HB2 PHE 97 lone 2 73 - 3 - Peak 4400 from cnoeabs.peaks (8.47, 2.88, 39.41 ppm; 4.34 A): 2 out of 9 assignments used, quality = 1.00: * H ALA 98 + HB3 PHE 97 OK 100 100 - 100 - 4.4=98, 458/1.8=40...(12) H LEU 21 + HB3 PHE 97 OK 47 99 - 47 - 2.9/4799=11, 4796/3.0=11...(8) H ILE 93 - HB3 PHE 97 OK 18 87 - 21 - 5.0/6840=4, 4.0/6834=4...(9) H THR 42 - HB3 PHE 97 OK 16 100 - 16 - 5506/4.0=7, 4540/2.4=3 H THR 15 - HB3 PHE 97 OK 15 85 - 18 - 4540/2.4=7, 4399/1.8=2...(7) H PHE 83 - HB3 PHE 97 OK 14 100 - 14 - 4399/1.8=3, 4754/2.4=2...(5) H TRP 82 - HB3 PHE 97 lone 7 85 - 9 - 4399/1.8=2, 4403/2.4=2 H ASP 72 - HB3 PHE 97 lone 6 100 - 6 - 4754/2.4=1, 4399/1.8=1 H ASP 71 - HB3 PHE 97 lone 3 73 - 3 - Peak 4403 from cnoeabs.peaks (8.47, 7.34, 131.60 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.99: * H ALA 98 + QD PHE 97 OK 98 98 - 100 - 4.9=97, 458/2.4=40...(13) H LEU 21 + QD PHE 97 OK 50 97 - 51 - 4.7/4765=13, 4796/3.7=11...(9) H THR 15 - QD PHE 97 OK 24 81 - 31 - 4540=12, 4400/2.4=3...(10) H THR 42 - QD PHE 97 OK 23 98 - 23 - 5506/4.5=9, 4540=5...(4) H PHE 83 - QD PHE 97 OK 17 98 - 17 - 4399/2.4=3, 4400/2.4=2...(5) H TRP 82 - QD PHE 97 OK 14 81 - 18 - 4.4/6963=3, 4399/2.4=2...(6) H ILE 93 - QD PHE 97 OK 13 83 - 15 - 4400/2.4=3, 5.0/4764=2...(6) H ASP 72 - QD PHE 97 OK 12 98 - 12 - 4.1/6963=3, 4399/2.4=1 H ASP 71 - QD PHE 97 lone 5 69 - 8 - 6401/6395=2 Peak 4404 from cnoeabs.peaks (7.81, 4.37, 51.99 ppm; 3.11 A): 2 out of 2 assignments used, quality = 0.85: * H THR 99 + HA ALA 98 OK 83 100 - 83 - 3.6=66, 466/2.1=27...(9) H ILE 37 + HA ALA 98 OK 11 100 - 11 - 4405/2.1=5, 1135/3.0=4 Peak 4405 from cnoeabs.peaks (7.81, 1.27, 19.20 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.97: * H THR 99 + QB ALA 98 OK 97 100 - 97 - 3.6=90, 465/2.1=39...(9) H ILE 37 - QB ALA 98 OK 22 100 - 21 - 1135/2.9=6, 4404/2.1=5...(7) Peak 4406 from cnoeabs.peaks (8.23, 3.51, 65.32 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.95: * H SER 29 + HA ILE 27 OK 93 100 - 93 - 1138=43, 1139/3.0=38...(17) H GLY 20 + HA ILE 27 OK 32 90 - 35 - 1080/3.6=5, 1136/3.0=5...(10) H ASP 12 - HA ILE 27 OK 18 100 - 17 - 1080/3.6=5, 1136/3.0=5...(6) Peak 4407 from cnoeabs.peaks (7.97, 3.51, 65.32 ppm; 4.00 A): 4 out of 7 assignments used, quality = 0.92: * H VAL 30 + HA ILE 27 OK 87 100 - 87 - 1143=40, 3.9/5046=19...(18) H PHE 34 + HA ILE 27 OK 26 92 - 28 - 5180/1148=4, 1137/3.6=3...(12) H ASP 81 + HA ILE 27 OK 11 92 - 12 - 1137/3.6=1, 4.4/4957=1 H GLY 22 + HA ILE 27 OK 11 71 - 15 - 4.6/1571=2, 4.6/1571=2...(5) H ASP 84 - HA ILE 27 lone 8 83 - 9 - 1137/3.6=1 HE21 GLN 19 - HA ILE 27 lone 6 78 - 7 - 6.6/4410=1, 1137/3.6=1 H LYS 63 - HA ILE 27 lone 5 71 - 7 - 4932/3.2=1, 1137/3.6=1 Peak 4408 from cnoeabs.peaks (2.19, 3.51, 65.32 ppm; 3.64 A): 3 out of 9 assignments used, quality = 0.88: * HB VAL 30 + HA ILE 27 OK 73 100 - 74 - 4409=32, 2.1/5046=23...(14) HB2 PRO 49 + HA ILE 27 OK 37 63 - 59 - ~4965=11, ~5642=10...(15) HB3 GLN 48 + HA ILE 27 OK 28 100 - 28 - 5613/3.2=9, 5613/4.2=7...(5) HB2 PHE 88 - HA ILE 27 lone 8 92 - 9 - 6714/5730=3, 698/1143=1 HG3 GLU 87 - HA ILE 27 lone 7 100 - 7 - 3.8/4942=1 HB3 PRO 92 - HA ILE 27 lone 6 76 - 7 - 4409=2 HG2 GLU 65 - HA ILE 27 lone 6 100 - 5 - HG3 PRO 92 - HA ILE 27 lone 5 85 - 6 - 2.3/4409=2 HB2 PRO 73 - HA ILE 27 lone 1 60 - 1 - Peak 4409 from cnoeabs.peaks (3.51, 2.19, 31.35 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.77: * HA ILE 27 + HB VAL 30 OK 72 100 - 72 - 5046/2.1=25, 4408=21...(14) HB3 PHE 83 + HB VAL 30 OK 11 57 - 19 - 5047/2.1=4, ~5071=3...(6) HB2 ASN 14 + HB VAL 30 OK 10 78 - 12 - 5046/2.1=4, 1143/4.0=2...(4) HA ILE 27 - HB3 PRO 92 lone 5 62 - 8 - 4408=2, 4408/2.3=1 HB3 PHE 83 - HB3 PRO 92 lone 1 29 - 3 - ~4612=2 HB2 ASN 14 - HB3 PRO 92 lone 0 41 - 1 - Peak 4410 from cnoeabs.peaks (8.70, 3.51, 65.32 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.95: * H ALA 31 + HA ILE 27 OK 91 100 - 92 - 1148=39, 2.9/5081=26...(20) H ILE 40 + HA ILE 27 OK 37 99 - 37 - 4.7/4958=9, 4930/3.2=6...(12) H GLN 19 - HA ILE 27 OK 19 83 - 23 - 4.6/4406=4, 5707/5730=2...(8) H LYS 41 - HA ILE 27 OK 11 65 - 16 - 4930/3.2=2, 4.5/1570=2...(7) Peak 4411 from cnoeabs.peaks (7.97, 3.98, 60.18 ppm; 5.38 A): 4 out of 7 assignments used, quality = 0.91: * H VAL 30 + HA GLU 28 OK 83 100 - 83 - 100/3.6=33, 1142/2.9=30...(12) H PHE 34 + HA GLU 28 OK 27 92 - 30 - 5180/4412=6, 1137/2.9=6...(8) H ASP 81 + HA GLU 28 OK 15 92 - 16 - 4.4/4993=3, 1137/2.9=3...(6) H GLY 22 + HA GLU 28 OK 12 71 - 17 - 4846/3.6=5, 1137/2.9=4...(4) H LYS 63 - HA GLU 28 poor 10 71 - 13 - 4.7/4415=3, 3.9/4994=2...(5) H ASP 84 - HA GLU 28 poor 9 83 - 11 - 1137/2.9=2, 1081/3.6=2 HE21 GLN 19 - HA GLU 28 poor 8 78 - 10 - 1081/3.6=3, 1137/2.9=2 Peak 4412 from cnoeabs.peaks (8.70, 3.98, 60.18 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.82: * H ALA 31 + HA GLU 28 OK 79 100 - 79 - 1147=28, 2.9/4414=23...(18) H ILE 40 + HA GLU 28 OK 15 99 - 15 - 1140/3.6=5, 1673/4414=3...(5) H GLN 19 - HA GLU 28 poor 10 83 - 11 - 1140/3.6=4, 641/3.0=1 H LYS 41 - HA GLU 28 lone 6 65 - 9 - 4.0/4413=2, 1140/3.6=2 Peak 4413 from cnoeabs.peaks (1.46, 3.98, 60.18 ppm; 3.34 A): 6 out of 7 assignments used, quality = 0.88: * QB ALA 31 + HA GLU 28 OK 68 100 - 68 - 4414=30, 2.9/4412=15...(17) HB ILE 51 + HA GLU 28 OK 29 99 - 30 - 3.2/5724=5, 5748/4947=3...(12) HG2 LYS 44 + HA GLU 28 OK 22 98 - 23 - 5001/3.7=3, 5005/3.7=2...(11) QG2 THR 67 + HA GLU 28 OK 14 97 - 14 - 6057/2.9=3, 5021/3.6=2...(8) HB2 LYS 41 + HA GLU 28 OK 13 99 - 13 - 5466/3.7=2, 5021/3.6=2...(6) HG12 ILE 80 + HA GLU 28 OK 12 97 - 12 - 5021/3.6=1, 3.2/4993=1 HG3 LYS 94 - HA GLU 28 lone 2 78 - 3 - Peak 4414 from cnoeabs.peaks (3.98, 1.46, 17.52 ppm; 3.07 A): 3 out of 5 assignments used, quality = 0.68: * HA GLU 28 + QB ALA 31 OK 56 100 - 56 - 4413=16, 4412/2.9=12...(17) HB2 SER 29 + QB ALA 31 OK 18 68 - 27 - 4.6/5077=4, 1147/2.9=4...(9) HA LYS 44 + QB ALA 31 OK 12 97 - 12 - 3.6/4112=3, 1147/2.9=3 HB3 SER 96 - QB ALA 31 lone 7 92 - 7 - 1147/2.9=2, 7089/5095=1 HB3 SER 89 - QB ALA 31 lone 2 90 - 2 - Peak 4415 from cnoeabs.peaks (8.31, 3.98, 60.18 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.80: * H ASP 32 + HA GLU 28 OK 75 100 - 75 - 1153=29, 3.5/4414=26...(12) H LYS 45 + HA GLU 28 OK 20 100 - 20 - 4.9/4413=4, 4.6/4994=3...(7) H GLY 64 - HA GLU 28 poor 9 87 - 10 - 1083/4412=2, 4.7/4994=2...(5) Peak 4416 from cnoeabs.peaks (8.70, 4.38, 61.01 ppm; 4.42 A): 6 out of 8 assignments used, quality = 0.93: * H ALA 31 + HA SER 29 OK 69 100 - 69 - 1082/3.6=24, 1146/2.9=22...(12) H ALA 31 + HA THR 42 OK 37 92 - 40 - 1145=8, 4.6/4417=8...(14) H LYS 41 + HA THR 42 OK 35 55 - 64 - ~175=16, 174/3.0=16...(12) H ILE 40 + HA SER 29 OK 28 99 - 29 - 1082/3.6=8, 1140/2.9=6...(10) H ILE 40 + HA THR 42 OK 14 89 - 16 - 4.0/5421=4, ~5382=3...(6) H GLN 19 + HA SER 29 OK 11 83 - 13 - 1140/2.9=6, 1082/3.6=4 H LYS 41 - HA SER 29 poor 10 65 - 14 - 1082/3.6=3, 4.1/5421=3...(5) H GLN 19 - HA THR 42 lone 2 71 - 3 - Peak 4417 from cnoeabs.peaks (8.31, 4.38, 61.01 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.79: * H ASP 32 + HA SER 29 OK 63 100 - 63 - 1152=20, 1144/3.6=17...(10) H ASP 32 + HA THR 42 OK 44 92 - 48 - 1152=15, 3.9/4418=10...(12) H GLY 64 - HA SER 29 poor 10 87 - 11 - 1144/3.6=4, ~7112=2, ~7113=2 H LYS 45 - HA SER 29 lone 8 100 - 8 - 1144/3.6=4 H LYS 45 - HA THR 42 lone 5 92 - 5 - 5550/5590=1, 4.6/798=1 H GLY 64 - HA THR 42 lone 4 75 - 5 - Peak 4418 from cnoeabs.peaks (2.75, 4.38, 61.01 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.57: * HB2 ASP 32 + HA SER 29 OK 38 100 - 39 - 4419=18, 1.8/4420=12...(5) HB2 ASP 32 + HA THR 42 OK 29 92 - 32 - 4419=15, 1.8/4420=9...(4) HB3 PHE 34 - HA SER 29 lone 8 90 - 9 - 1752/3.6=5, 114/4422=1 HB3 PHE 34 - HA THR 42 lone 3 78 - 4 - HB3 PHE 70 - HA SER 29 lone 2 73 - 2 - HB3 ASP 84 - HA SER 29 lone 1 81 - 2 - HB3 ASP 84 - HA THR 42 lone 1 69 - 1 - HB3 PHE 70 - HA THR 42 lone 1 62 - 1 - Peak 4419 from cnoeabs.peaks (4.38, 2.75, 40.87 ppm; 3.47 A): 3 out of 10 assignments used, quality = 0.71: * HA SER 29 + HB2 ASP 32 OK 43 100 - 43 - 4418=23, 4420/1.8=12...(5) HA THR 42 + HB2 ASP 32 OK 35 100 - 35 - 4418=18, 4420/1.8=9...(4) HA PRO 73 + HB2 ASP 32 OK 21 96 - 22 - 4421/1.8=5, ~7198=5...(8) HA TRP 82 - HB2 ASP 32 lone 5 78 - 6 - 3.6/6601=2, ~375=1 HA LEU 62 - HB2 ASP 32 lone 3 81 - 3 - HA ALA 98 - HB2 ASP 32 lone 2 95 - 3 - HB THR 46 - HB2 ASP 32 lone 2 99 - 2 - HA PRO 74 - HB2 ASP 32 lone 2 85 - 2 - HA ASP 71 - HB2 ASP 32 lone 2 63 - 2 - HA SER 11 - HB2 ASP 32 lone 1 68 - 1 - Peak 4420 from cnoeabs.peaks (2.62, 4.38, 61.01 ppm; 3.87 A): 3 out of 10 assignments used, quality = 0.68: * HB3 ASP 32 + HA SER 29 OK 43 100 - 43 - 1.8/4418=20, 4421=12...(5) HB3 ASP 32 + HA THR 42 OK 33 92 - 36 - 1.8/4418=15, 4421=10...(5) HB3 ASP 12 + HA THR 42 OK 17 92 - 19 - 4421=5, 3.0/7143=5...(5) HB3 ASP 12 - HA SER 29 lone 5 100 - 5 - 4421=1 HB3 ASP 81 - HA SER 29 lone 3 98 - 3 - 3402/3.6=1 HB3 ASP 81 - HA THR 42 lone 3 88 - 3 - HB3 ASN 52 - HA SER 29 lone 1 65 - 1 - HB3 ASN 52 - HA THR 42 lone 1 55 - 1 - HB2 ASN 52 - HA SER 29 lone 1 57 - 1 - HB2 ASN 52 - HA THR 42 lone 0 48 - 1 - Peak 4421 from cnoeabs.peaks (4.38, 2.62, 40.87 ppm; 3.54 A): 5 out of 20 assignments used, quality = 0.83: * HA SER 29 + HB3 ASP 32 OK 41 100 - 42 - 4418/1.8=17, 4420=15...(5) HA THR 42 + HB3 ASP 32 OK 34 100 - 34 - 4418/1.8=13, 4420=12...(5) HA PRO 73 + HB3 ASP 12 OK 29 92 - 32 - ~7197=12, 2.3/5132=10...(5) HA PRO 73 + HB3 ASP 32 OK 24 96 - 25 - 4419/1.8=7, 2.3/7198=6...(9) HA THR 42 + HB3 ASP 12 OK 18 98 - 18 - 4420=6, 7143/3.0=5...(5) HA SER 29 - HB3 ASP 12 lone 5 98 - 5 - 4420=2 HA TRP 82 - HB3 ASP 32 lone 5 78 - 6 - 3.0/375=2, 4419/1.8=2 HA TRP 82 - HB3 ASP 12 lone 4 74 - 5 - 6579/1.8=3, 3.0/375=1 HA LEU 62 - HB3 ASP 32 lone 3 81 - 4 - HA ALA 98 - HB3 ASP 32 lone 3 95 - 3 - HB THR 46 - HB3 ASP 32 lone 3 99 - 3 - HA PRO 74 - HB3 ASP 32 lone 2 85 - 3 - HA ASP 71 - HB3 ASP 32 lone 2 63 - 3 - HA PRO 74 - HB3 ASP 12 lone 1 81 - 1 - HB THR 46 - HB3 ASP 12 lone 1 96 - 1 - HA SER 11 - HB3 ASP 32 lone 1 68 - 1 - HA LEU 62 - HB3 ASP 12 lone 1 76 - 1 - HA ALA 98 - HB3 ASP 12 lone 1 91 - 1 - HA ASP 71 - HB3 ASP 12 lone 1 59 - 1 - HA SER 11 - HB3 ASP 12 lone 0 64 - 1 - Peak 4422 from cnoeabs.peaks (7.53, 4.38, 61.01 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.75: * H TYR 33 + HA SER 29 OK 55 100 - 56 - 1158=19, 4.5/4418=14...(7) H TYR 33 + HA THR 42 OK 43 92 - 47 - 1158=15, 4.5/4418=11...(8) H GLN 36 - HA SER 29 poor 7 73 - 10 - 1170/3.6=3, 1084/4417=2 QD PHE 83 - HA SER 29 poor 7 63 - 10 - ~5018=3, ~7070=2, ~1138=1 H GLN 36 - HA THR 42 lone 4 62 - 6 - 1084/1152=1, 4114/4418=1 QD PHE 83 - HA THR 42 lone 2 52 - 4 - Peak 4423 from cnoeabs.peaks (8.31, 3.75, 66.89 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.94: * H ASP 32 + HA VAL 30 OK 92 100 - 93 - 1083/3.6=33, 1150=30...(21) H GLY 64 + HA VAL 30 OK 27 87 - 31 - 1144/3.0=7, 1083/3.6=5...(11) H LYS 45 - HA VAL 30 OK 24 100 - 23 - 1144/3.0=6, 1083/3.6=6...(5) Peak 4424 from cnoeabs.peaks (7.53, 3.75, 66.89 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.92: * H TYR 33 + HA VAL 30 OK 85 100 - 85 - 1157=28, 4.0/4427=22...(15) QD PHE 83 + HA VAL 30 OK 28 63 - 44 - 5071/3.2=5, 2.2/5059=5...(20) H GLN 36 + HA VAL 30 OK 20 73 - 27 - 1149/3.6=5, 5078/5.0=4...(13) Peak 4425 from cnoeabs.peaks (3.09, 3.75, 66.89 ppm; 4.24 A): 3 out of 6 assignments used, quality = 0.92: * HB2 TYR 33 + HA VAL 30 OK 89 100 - 89 - 1.8/4427=38, 2.5/5056=28...(16) HB3 TRP 82 + HA VAL 30 OK 21 100 - 21 - 6562/3.0=4, 6583/3.2=3...(7) HE3 LYS 41 + HA VAL 30 OK 13 100 - 13 - 4.8/7084=5, 6.2/5470=3...(4) HE3 LYS 77 - HA VAL 30 lone 1 100 - 1 - HB2 ASP 56 - HA VAL 30 lone 1 73 - 2 - HE2 LYS 77 - HA VAL 30 lone 1 78 - 1 - Peak 4426 from cnoeabs.peaks (3.75, 3.09, 39.80 ppm; 4.21 A): 4 out of 6 assignments used, quality = 0.95: * HA VAL 30 + HB2 TYR 33 OK 90 100 - 90 - 4427/1.8=38, 4425=34...(16) HA2 GLY 64 + HB2 TYR 33 OK 34 100 - 34 - 4428/1.8=9, 3.0/5143=6...(7) HB THR 42 + HB2 TYR 33 OK 13 92 - 14 - 1157/4.0=4, 4428/1.8=3...(5) HA2 GLY 20 + HB2 TYR 33 OK 13 97 - 13 - 1163/4.3=4, 4428/1.8=3...(4) HA2 GLY 22 - HB2 TYR 33 lone 6 60 - 9 - 3.0/4117=2, ~4118=1...(4) HA2 GLY 60 - HB2 TYR 33 lone 6 83 - 7 - 3.0/5931=1, 4428/1.8=1 Peak 4427 from cnoeabs.peaks (2.82, 3.75, 66.89 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.85: * HB3 TYR 33 + HA VAL 30 OK 85 100 - 85 - 4428=25, 2.5/5056=24...(18) HB2 TYR 54 - HA VAL 30 lone 3 98 - 3 - 4.4/5058=1 HB2 PHE 17 - HA VAL 30 lone 3 100 - 3 - HB2 ASP 72 - HA VAL 30 lone 2 100 - 2 - Peak 4428 from cnoeabs.peaks (3.75, 2.82, 39.80 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.94: * HA VAL 30 + HB3 TYR 33 OK 90 100 - 90 - 4427=46, 5056/2.5=26...(18) HA2 GLY 64 + HB3 TYR 33 OK 35 100 - 35 - 4426/1.8=8, 3.0/5144=6...(10) HA2 GLY 20 - HB3 TYR 33 OK 13 97 - 13 - 1163/4.3=3, 4426/1.8=3...(5) HB THR 42 - HB3 TYR 33 OK 13 92 - 14 - 1157/4.0=3, 4426/1.8=3...(5) HA2 GLY 22 - HB3 TYR 33 lone 6 60 - 9 - 3.0/4118=2, 4426/1.8=1...(4) HA2 GLY 60 - HB3 TYR 33 lone 4 83 - 5 - 4426/1.8=1 Peak 4429 from cnoeabs.peaks (7.99, 3.75, 66.89 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.92: H VAL 30 + HA VAL 30 OK 92 92 - 100 - 3.0=100 Reference assignment not found: H PHE 34 - HA VAL 30 Peak 4430 from cnoeabs.peaks (7.53, 3.89, 55.52 ppm; 5.09 A): 3 out of 3 assignments used, quality = 0.89: * H TYR 33 + HA ALA 31 OK 81 100 - 81 - 1084/3.6=34, 5078/2.1=31...(11) H GLN 36 + HA ALA 31 OK 33 73 - 45 - 4.6/4436=17, 5078/2.1=11...(6) QD PHE 83 + HA ALA 31 OK 18 63 - 28 - 1149/3.0=6, 4676/5076=5...(7) Peak 4431 from cnoeabs.peaks (7.99, 3.89, 55.52 ppm; 4.36 A): 4 out of 5 assignments used, quality = 0.95: * H PHE 34 + HA ALA 31 OK 83 100 - 84 - 1162=32, 5180/3.0=16...(14) H VAL 30 + HA ALA 31 OK 59 92 - 65 - 1082/3.0=24, 1144/3.6=17...(13) H LYS 63 + HA ALA 31 OK 13 97 - 13 - 1154/3.6=3, 4.7/4436=2...(5) H GLY 22 + HA ALA 31 OK 13 97 - 13 - 5399/5089=3, 1154/3.6=2...(4) H LYS 86 - HA ALA 31 lone 4 73 - 5 - Peak 4432 from cnoeabs.peaks (3.41, 3.89, 55.52 ppm; 5.08 A): 4 out of 4 assignments used, quality = 0.93: * HB2 PHE 34 + HA ALA 31 OK 84 100 - 84 - 2.4/5076=25, 1.8/4435=24...(11) HB2 PHE 70 + HA ALA 31 OK 32 81 - 39 - 1.8/4434=9, 2.5/4795=8...(8) HA ILE 80 + HA ALA 31 OK 19 100 - 19 - 3.2/7072=2, ~958=2...(10) HB2 PHE 83 + HA ALA 31 OK 17 93 - 18 - 2.4/4430=5, ~1149=4...(6) Peak 4433 from cnoeabs.peaks (3.89, 3.41, 39.73 ppm; 5.54 A): 4 out of 5 assignments used, quality = 0.94: * HA ALA 31 + HB2 PHE 34 OK 89 100 - 89 - 5076/2.4=28, 4432=28...(11) HB3 SER 75 + HB2 PHE 34 OK 34 99 - 34 - 4435/1.8=11, 1162/4.1=6...(7) HD3 PRO 73 + HB2 PHE 34 OK 15 97 - 14 - 4435/1.8=4, 1162/4.1=4...(4) HA2 GLY 85 + HB2 PHE 34 OK 14 98 - 14 - 4435/1.8=4, 1168/4.2=3...(4) HA2 GLY 38 - HB2 PHE 34 poor 7 57 - 13 - 1168/4.2=4, 4435/1.8=2...(5) Peak 4434 from cnoeabs.peaks (2.77, 3.89, 55.52 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.97: * HB3 PHE 34 + HA ALA 31 OK 82 100 - 82 - 4435=21, 2.4/5076=19...(14) HB2 ASP 32 + HA ALA 31 OK 70 90 - 78 - 1680/3.6=30, 5137/3.0=18...(12) HB3 PHE 70 + HA ALA 31 OK 40 99 - 41 - 6226=7, 2.5/4795=7...(10) HB3 ASP 84 - HA ALA 31 OK 17 100 - 16 - 3.0/7165=3, 6226=3...(5) Peak 4435 from cnoeabs.peaks (3.89, 2.77, 39.73 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.93: * HA ALA 31 + HB3 PHE 34 OK 86 100 - 86 - 5076/2.4=23, 1162/4.1=21...(14) HB3 SER 75 + HB3 PHE 34 OK 36 99 - 36 - 6359=8, 4433/1.8=7...(10) HA2 GLY 85 + HB3 PHE 34 OK 12 98 - 12 - 4433/1.8=3, 1168/4.2=3...(4) HD3 PRO 73 + HB3 PHE 34 OK 12 97 - 12 - 1162/4.1=3, 4433/1.8=3 HA2 GLY 38 - HB3 PHE 34 poor 7 57 - 12 - 1168/4.2=3, 4433/1.8=2...(5) Peak 4436 from cnoeabs.peaks (8.35, 3.89, 55.52 ppm; 4.35 A): 4 out of 4 assignments used, quality = 0.80: * H LYS 35 + HA ALA 31 OK 65 100 - 65 - 1168=24, 4.6/1162=15...(9) H LYS 94 + HA ALA 31 OK 25 98 - 25 - 6868/3.0=6, 3.0/6863=6...(7) H ASN 52 + HA ALA 31 OK 12 83 - 15 - 5767/5101=7, 7035/5723=3 H GLY 64 + HA ALA 31 OK 12 92 - 13 - 1083/3.0=2, 7035/5723=2...(5) Peak 4437 from cnoeabs.peaks (7.99, 4.30, 56.98 ppm; 3.60 A): 3 out of 10 assignments used, quality = 0.82: * H PHE 34 + HA ASP 32 OK 65 100 - 66 - 1160=34, 116/3.6=16...(11) H VAL 30 + HA ASP 32 OK 35 92 - 38 - 1144/3.0=13, 1085/3.6=8...(8) H PHE 34 + HA ASP 81 OK 21 91 - 23 - 1160=11, 4.6/1167=6...(5) H LYS 63 - HA ASP 32 lone 10 97 - 10 - 1154/3.0=2, 1085/3.6=2 H GLY 22 - HA ASP 32 lone 6 97 - 6 - 1154/3.0=2, 1085/3.6=2 H VAL 30 - HA ASP 81 lone 5 79 - 7 - 372/3.6=1 H LYS 63 - HA ASP 81 lone 3 86 - 3 - H LYS 86 - HA ASP 32 lone 3 73 - 4 - H GLY 22 - HA ASP 81 lone 3 86 - 3 - H LYS 86 - HA ASP 81 lone 1 61 - 2 - Peak 4438 from cnoeabs.peaks (8.35, 4.30, 56.98 ppm; 3.71 A): 4 out of 8 assignments used, quality = 0.85: * H LYS 35 + HA ASP 32 OK 67 100 - 68 - 1167=26, 4.6/1160=13...(14) H LYS 35 + HA ASP 81 OK 41 91 - 46 - 1167=16, 3.8/4440=7...(11) H GLY 64 + HA ASP 32 OK 12 92 - 13 - 112/3.6=2, 1086/1160=2...(4) H LYS 94 + HA ASP 32 OK 10 98 - 10 - 1086/1160=1, 1035/4.8=1 H ASN 52 - HA ASP 32 lone 6 83 - 7 - H LYS 94 - HA ASP 81 lone 5 87 - 6 - H GLY 64 - HA ASP 81 lone 4 79 - 5 - H ASN 52 - HA ASP 81 lone 3 70 - 4 - Peak 4439 from cnoeabs.peaks (2.05, 4.30, 56.98 ppm; 4.39 A): 3 out of 14 assignments used, quality = 0.94: * HB2 LYS 35 + HA ASP 32 OK 82 100 - 82 - 4440=22, 3.0/5236=18...(14) HB2 LYS 35 + HA ASP 81 OK 59 91 - 65 - 4440=17, 3.0/5236=13...(11) HB2 GLU 28 + HA ASP 32 OK 18 65 - 28 - ~4415=11, ~1153=10...(5) HB2 LYS 86 - HA ASP 32 lone 5 85 - 6 - 2.8/5121=1 HB3 MET 50 - HA ASP 32 lone 5 78 - 6 - 5664/4.8=2 QE MET 50 - HA ASP 32 lone 4 87 - 5 - 5671/4.8=2 HG2 PRO 92 - HA ASP 32 lone 3 73 - 4 - HB3 GLU 23 - HA ASP 32 lone 3 97 - 3 - HB2 LYS 86 - HA ASP 81 lone 3 72 - 4 - HG2 PRO 92 - HA ASP 81 lone 2 61 - 4 - HB2 GLU 28 - HA ASP 81 lone 2 54 - 3 - ~4411=1 HB3 GLU 23 - HA ASP 81 lone 1 86 - 2 - HB3 MET 50 - HA ASP 81 lone 1 65 - 2 - QE MET 50 - HA ASP 81 lone 1 74 - 2 - Peak 4440 from cnoeabs.peaks (4.30, 2.05, 31.03 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.95: * HA ASP 32 + HB2 LYS 35 OK 82 100 - 82 - 4439=21, 5236/3.0=19...(14) HA ASP 81 + HB2 LYS 35 OK 63 97 - 65 - 6555=16, 5236/3.0=13...(11) HB THR 59 + HB2 LYS 35 OK 30 81 - 36 - 4442/1.8=6, 5236/3.0=6...(10) HD2 PRO 73 - HB2 LYS 35 lone 4 63 - 6 - 1167/3.8=1 Peak 4441 from cnoeabs.peaks (2.16, 4.30, 56.98 ppm; 4.45 A): 3 out of 16 assignments used, quality = 0.94: * HB3 LYS 35 + HA ASP 32 OK 81 100 - 81 - 3.0/5236=19, 4442=18...(13) HB3 LYS 35 + HA ASP 81 OK 58 91 - 65 - 4442=14, 1.8/4440=14...(10) HB2 PRO 73 + HA ASP 32 OK 29 100 - 30 - ~7198=7, ~5132=6...(9) HB2 PRO 73 - HA ASP 81 lone 5 90 - 5 - ~7198=1 HB3 PRO 92 - HA ASP 32 lone 4 98 - 4 - HG3 PRO 92 - HA ASP 32 lone 4 95 - 4 - HB3 PRO 92 - HA ASP 81 lone 3 87 - 4 - HG3 PRO 92 - HA ASP 81 lone 3 82 - 4 - HB3 GLU 58 - HA ASP 32 lone 3 100 - 3 - HG3 GLU 65 - HA ASP 32 lone 3 73 - 4 - ~5113=1 HB2 PHE 88 - HA ASP 32 lone 2 89 - 2 - HB3 GLU 58 - HA ASP 81 lone 2 90 - 2 - HB2 GLU 58 - HA ASP 32 lone 2 60 - 3 - HB2 PHE 88 - HA ASP 81 lone 1 76 - 1 - HB2 GLU 58 - HA ASP 81 lone 1 49 - 2 - HG3 GLU 65 - HA ASP 81 lone 1 61 - 1 - Peak 4442 from cnoeabs.peaks (4.30, 2.16, 31.03 ppm; 4.69 A): 2 out of 8 assignments used, quality = 0.94: * HA ASP 32 + HB3 LYS 35 OK 84 100 - 84 - 5236/3.0=20, 4441=20...(13) HA ASP 81 + HB3 LYS 35 OK 65 97 - 68 - 6554=15, 4440/1.8=15...(10) HB THR 59 - HB3 LYS 35 OK 33 81 - 41 - 4440/1.8=7, 5240/3.6=6...(12) HD2 PRO 73 - HB3 LYS 35 lone 4 63 - 7 - 1167/3.8=1, 4440/1.8=1 HA ASP 32 - HB3 PRO 92 lone 3 63 - 5 - 4441=1 HA ASP 81 - HB3 PRO 92 lone 3 57 - 5 - 6554=1 HB THR 59 - HB3 PRO 92 lone 1 44 - 3 - HD2 PRO 73 - HB3 PRO 92 lone 0 33 - 1 - Peak 4443 from cnoeabs.peaks (7.50, 4.30, 56.98 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.73: H TYR 33 + HA ASP 32 OK 73 73 - 100 - 3.6=100 Reference assignment not found: H GLN 36 - HA ASP 32 Peak 4444 from cnoeabs.peaks (8.35, 4.20, 60.73 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.81: * H LYS 35 + HA TYR 33 OK 67 100 - 67 - 1086/3.6=26, 1165=22...(7) H GLY 64 + HA TYR 33 OK 34 92 - 37 - 1086/3.6=9, 5144/3.0=8...(8) H LYS 94 + HA TYR 33 OK 14 98 - 14 - 1086/3.6=6, 5261/5166=2...(5) H ASN 52 - HA TYR 33 lone 8 83 - 9 - 1086/3.6=4, 4.0/5165=2 Peak 4445 from cnoeabs.peaks (7.50, 4.20, 60.73 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.73: H TYR 33 + HA TYR 33 OK 73 73 - 100 - 3.0=100 Reference assignment not found: H GLN 36 - HA TYR 33 Peak 4451 from cnoeabs.peaks (7.44, 4.40, 65.89 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.87: * H ALA 76 + HA PRO 74 OK 84 100 - 85 - 1116/3.5=37, 1174=22...(13) H THR 46 + HA PRO 74 OK 15 81 - 18 - 798=3, 1116/3.5=3...(7) QD PHE 34 - HA PRO 74 lone 6 92 - 6 - 1116/3.5=2, 1181/4457=2 Peak 4452 from cnoeabs.peaks (7.20, 4.40, 65.89 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.83: * H LYS 77 + HA PRO 74 OK 74 100 - 74 - 1178=23, 4.6/4457=17...(12) HD22 ASN 14 + HA PRO 74 OK 25 98 - 26 - 4.4/7135=5, 1173/3.5=5...(8) QD TYR 54 + HA PRO 74 OK 11 71 - 16 - 4704/2.3=3, ~5836=3...(5) HD22 ASN 43 - HA PRO 74 lone 10 100 - 9 - 3.5/5523=2, 3.5/5522=2 Peak 4453 from cnoeabs.peaks (1.98, 4.40, 65.89 ppm; 3.16 A): 2 out of 11 assignments used, quality = 0.82: HG3 PRO 74 + HA PRO 74 OK 67 99 - 67 - 3.8=55, 1.8/3200=17...(6) * HB2 LYS 77 + HA PRO 74 OK 47 100 - 47 - 1.8/3200=12, 4.7/4457=11...(9) HG3 PRO 73 - HA PRO 74 poor 9 63 - 14 - 6318/3.6=6, 6317/3.6=4 HB VAL 25 - HA PRO 74 lone 3 92 - 3 - HG2 PRO 49 - HA PRO 74 lone 3 71 - 4 - 2.3/6332=1 HB3 LYS 45 - HA PRO 74 lone 3 63 - 4 - 4.0/4451=2 HB2 LYS 45 - HA PRO 74 lone 3 63 - 4 - 4.0/4451=2 HG2 GLN 19 - HA PRO 74 lone 2 100 - 2 - HB2 GLU 65 - HA PRO 74 lone 2 100 - 2 - HB3 GLU 28 - HA PRO 74 lone 2 100 - 2 - HB2 GLU 23 - HA PRO 74 lone 1 65 - 1 - Peak 4454 from cnoeabs.peaks (4.40, 1.98, 32.15 ppm; 4.14 A): 3 out of 16 assignments used, quality = 0.84: * HA PRO 74 + HB2 LYS 77 OK 68 100 - 69 - 4457/4.7=20, 3201=18...(9) HA PRO 73 + HB2 LYS 77 OK 39 99 - 40 - 4.5/3201=10, 4456/1.8=9...(8) HA SER 29 + HB VAL 25 OK 18 67 - 27 - ~7067=6, 3.0/5028=5...(8) HA ASP 71 - HB2 LYS 77 lone 10 98 - 10 - 4456/1.8=2, 1178/3.7=2...(4) HA SER 29 - HB2 LYS 77 poor 9 85 - 10 - 4456/1.8=2, 3.0/5028=2...(4) HB THR 46 - HB2 LYS 77 lone 6 97 - 6 - 1178/3.7=2, 4456/1.8=2 HA PRO 74 - HB VAL 25 lone 5 87 - 5 - 3201=1 HA THR 59 - HB2 LYS 77 lone 3 63 - 5 - ~5909=1 HA MET 50 - HB VAL 25 lone 3 61 - 5 - HA THR 42 - HB2 LYS 77 lone 2 76 - 3 - HA PRO 73 - HB VAL 25 lone 2 84 - 3 - HA MET 50 - HB2 LYS 77 lone 2 78 - 3 - HA ASP 71 - HB VAL 25 lone 2 82 - 2 - HB THR 46 - HB VAL 25 lone 2 80 - 2 - HA THR 42 - HB VAL 25 lone 1 59 - 2 - HA THR 59 - HB VAL 25 lone 0 48 - 1 - Peak 4455 from cnoeabs.peaks (2.11, 4.40, 65.89 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.92: HG2 PRO 74 + HA PRO 74 OK 82 100 - 82 - 3.8=73, 1.8/3201=21...(6) * HB3 LYS 77 + HA PRO 74 OK 55 100 - 56 - 1.8/3201=15, 4.7/4457=13...(9) HB2 GLN 19 - HA PRO 74 lone 2 99 - 2 - HB2 GLN 36 - HA PRO 74 lone 2 100 - 2 - HB2 GLU 58 - HA PRO 74 lone 2 71 - 3 - 338/3.5=2 HB2 GLU 28 - HA PRO 74 lone 1 57 - 2 - Peak 4456 from cnoeabs.peaks (4.40, 2.11, 32.15 ppm; 4.57 A): 3 out of 8 assignments used, quality = 0.86: * HA PRO 74 + HB3 LYS 77 OK 74 100 - 74 - 4457/4.7=24, 4452/3.7=20...(8) HA PRO 73 + HB3 LYS 77 OK 42 99 - 42 - 4.5/3200=11, 1178/3.7=10...(7) HA ASP 71 + HB3 LYS 77 OK 11 98 - 11 - 4454/1.8=2, 1178/3.7=2...(4) HA SER 29 - HB3 LYS 77 lone 8 85 - 10 - 4454/1.8=2, ~5028=2...(5) HB THR 46 - HB3 LYS 77 lone 7 97 - 7 - 1178/3.7=2, 4454/1.8=2 HA THR 59 - HB3 LYS 77 lone 4 63 - 6 - ~5909=2 HA THR 42 - HB3 LYS 77 lone 3 76 - 3 - HA MET 50 - HB3 LYS 77 lone 2 78 - 3 - Peak 4457 from cnoeabs.peaks (7.87, 4.40, 65.89 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.74: * H ALA 78 + HA PRO 74 OK 74 100 - 74 - 1183=24, 6347/3.5=24...(13) Peak 4458 from cnoeabs.peaks (7.20, 4.02, 61.55 ppm; 5.37 A): 4 out of 4 assignments used, quality = 0.93: * H LYS 77 + HA SER 75 OK 86 100 - 86 - 346/3.6=40, 4.6/4459=34...(7) HD22 ASN 14 + HA SER 75 OK 33 98 - 33 - 1117/3.6=13, 1173/2.9=9...(7) HD22 ASN 43 + HA SER 75 OK 12 100 - 12 - 1173/2.9=3, 1117/3.6=3...(5) QD TYR 54 + HA SER 75 OK 11 71 - 15 - ~6356=4, 1173/2.9=4...(6) Peak 4459 from cnoeabs.peaks (7.87, 4.02, 61.55 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.83: * H ALA 78 + HA SER 75 OK 83 100 - 83 - 1182=35, 2.9/4461=27...(10) Peak 4460 from cnoeabs.peaks (1.40, 4.02, 61.55 ppm; 3.19 A): 2 out of 7 assignments used, quality = 0.68: * QB ALA 78 + HA SER 75 OK 64 100 - 65 - 4461=32, 2.9/4459=18...(10) HG2 LYS 41 + HA SER 75 OK 11 100 - 11 - 6354/2.9=2, 6361/3.0=2...(4) HG2 LYS 61 - HA SER 75 lone 8 78 - 10 - 6354/2.9=2, 6361/3.0=1, ~6354=1 HG3 LYS 61 - HA SER 75 lone 7 76 - 9 - 6354/2.9=2, 6361/3.0=1, ~6354=1 HG3 LYS 45 - HA SER 75 lone 4 100 - 4 - HB3 LEU 53 - HA SER 75 lone 4 97 - 4 - HD3 LYS 86 - HA SER 75 lone 2 76 - 2 - Peak 4461 from cnoeabs.peaks (4.02, 1.40, 17.56 ppm; 3.34 A): 1 out of 5 assignments used, quality = 0.67: * HA SER 75 + QB ALA 78 OK 67 100 - 67 - 4460=32, 4459/2.9=20...(10) HA ARG 57 - QB ALA 78 lone 9 100 - 9 - 1188/3.7=2, 1182/2.9=2 HA LYS 44 - QB ALA 78 poor 9 65 - 13 - 1182/2.9=2, 3.0/6443=2...(7) HB2 SER 29 - QB ALA 78 lone 5 96 - 6 - 1182/2.9=2, 1188/3.7=1 HB3 SER 89 - QB ALA 78 lone 2 78 - 3 - Peak 4462 from cnoeabs.peaks (8.12, 4.02, 61.55 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.75: * H ALA 79 + HA SER 75 OK 71 100 - 71 - 1188=26, 6468/3.6=25...(7) H ILE 39 + HA SER 75 OK 14 100 - 14 - 5363/3.0=7, 1119/4459=2...(6) H GLU 23 - HA SER 75 lone 4 99 - 4 - 1119/4459=1 H ASN 13 - HA SER 75 lone 1 63 - 2 - Peak 4463 from cnoeabs.peaks (7.87, 3.60, 54.83 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.96: * H ALA 78 + HA ALA 76 OK 96 100 - 96 - 1118/3.6=46, 1180=44...(11) Peak 4464 from cnoeabs.peaks (8.12, 3.60, 54.83 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.91: * H ALA 79 + HA ALA 76 OK 90 100 - 90 - 1187=44, 2.9/4466=35...(13) H ILE 39 + HA ALA 76 OK 19 100 - 19 - 5376/6391=6, 1179/3.6=5...(4) H GLU 23 - HA ALA 76 lone 8 99 - 8 - 1179/3.6=3, 6398/2.1=1 H ASN 13 - HA ALA 76 lone 3 63 - 5 - 6398/2.1=3 Peak 4465 from cnoeabs.peaks (1.67, 3.60, 54.83 ppm; 3.45 A): 1 out of 18 assignments used, quality = 0.76: * QB ALA 79 + HA ALA 76 OK 76 100 - 76 - 4466=44, 2.9/1187=21...(11) HB ILE 40 - HA ALA 76 lone 9 93 - 10 - 2.1/6382=2, ~5402=2...(4) HG12 ILE 40 - HA ALA 76 poor 7 63 - 12 - ~5402=2, 5406/6391=2, 3.2/6382=2 HD3 LYS 63 - HA ALA 76 lone 4 95 - 4 - HD3 LYS 61 - HA ALA 76 lone 3 95 - 3 - HD2 LYS 61 - HA ALA 76 lone 3 95 - 3 - HG12 ILE 39 - HA ALA 76 lone 3 73 - 4 - 4.6/4464=2 HB2 MET 50 - HA ALA 76 lone 3 87 - 3 - HD2 LYS 44 - HA ALA 76 lone 2 95 - 3 - HD3 LYS 44 - HA ALA 76 lone 2 93 - 3 - HG12 ILE 27 - HA ALA 76 lone 2 97 - 2 - HB3 LYS 61 - HA ALA 76 lone 2 97 - 2 - HG3 GLN 19 - HA ALA 76 lone 2 81 - 2 - HD2 LYS 94 - HA ALA 76 lone 1 98 - 1 - HD3 LYS 94 - HA ALA 76 lone 1 98 - 1 - HG3 ARG 57 - HA ALA 76 lone 1 96 - 1 - HG2 ARG 57 - HA ALA 76 lone 1 93 - 1 - HD3 LYS 35 - HA ALA 76 lone 1 89 - 1 - Peak 4466 from cnoeabs.peaks (3.60, 1.67, 18.80 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.70: * HA ALA 76 + QB ALA 79 OK 70 100 - 70 - 4465=30, 1187/2.9=21...(11) HA2 GLY 90 - QB ALA 79 lone 8 100 - 8 - 1187/2.9=3, 1193/3.7=3 Peak 4467 from cnoeabs.peaks (7.57, 3.60, 54.83 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 80 + HA ALA 76 OK 83 100 - 83 - 1193=40, 3.7/4466=37...(9) QD PHE 83 + HA ALA 76 OK 52 93 - 57 - 6396/2.1=14, 2.2/6392=13...(13) HE21 GLN 48 + HA ALA 76 OK 17 97 - 17 - 1.7/6392=4, 6396/2.1=4...(6) Peak 4468 from cnoeabs.peaks (8.12, 3.79, 58.58 ppm; 5.25 A): 3 out of 4 assignments used, quality = 0.94: * H ALA 79 + HA LYS 77 OK 87 100 - 87 - 359/3.6=46, 1179/3.0=29...(13) H ILE 39 + HA LYS 77 OK 37 100 - 38 - 4.6/6403=8, 1179/3.0=7...(11) H GLU 23 + HA LYS 77 OK 23 99 - 22 - 1179/3.0=4, 64=3...(8) H ASN 13 - HA LYS 77 lone 4 63 - 7 - 6398/4.8=2, 1179/3.0=1 Peak 4469 from cnoeabs.peaks (7.57, 3.79, 58.58 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.90: * H ILE 80 + HA LYS 77 OK 84 100 - 84 - 1192=30, 1191/3.6=26...(15) QD PHE 83 + HA LYS 77 OK 31 93 - 34 - 1184/3.6=7, 6396/4.8=7...(11) HE21 GLN 48 + HA LYS 77 OK 13 97 - 13 - 1184/3.6=4, 6396/4.8=2...(5) Peak 4470 from cnoeabs.peaks (1.72, 3.79, 58.58 ppm; 3.63 A): 2 out of 7 assignments used, quality = 0.94: * HB ILE 80 + HA LYS 77 OK 79 100 - 79 - 4471=25, 3.2/6420=20...(20) HD2 LYS 77 + HA LYS 77 OK 73 87 - 84 - 4.6=48, 1.8/3311=26...(16) HD2 LYS 45 - HA LYS 77 lone 8 89 - 9 - 1.8/3301=1, 3301=1...(4) HD3 LYS 45 - HA LYS 77 lone 8 85 - 9 - 1.8/3301=1, 3301=1...(4) HB2 LEU 53 - HA LYS 77 lone 8 100 - 8 - ~4907=2, 3389/6420=1 HG12 ILE 39 - HA LYS 77 lone 6 63 - 9 - 4.6/4468=3, 3.8/5364=2 HD2 LYS 35 - HA LYS 77 lone 1 78 - 1 - Peak 4471 from cnoeabs.peaks (3.79, 1.72, 38.41 ppm; 3.90 A): 3 out of 7 assignments used, quality = 0.87: * HA LYS 77 + HB ILE 80 OK 82 100 - 82 - 6420/3.2=22, 4470=21...(20) HA ILE 40 + HB ILE 80 OK 16 100 - 16 - 6520/2.9=4, 1192/4.0=3...(5) HA2 GLY 22 + HB ILE 80 OK 15 90 - 17 - 6528/3.2=4, ~61=3...(7) HD2 PRO 92 - HB ILE 80 lone 7 100 - 7 - 6528/3.2=2, 6520/2.9=1 HA SER 89 - HB ILE 80 lone 6 98 - 6 - 1192/4.0=2, 6528/3.2=1 HB3 SER 11 - HB ILE 80 lone 3 100 - 3 - HA2 GLY 60 - HB ILE 80 lone 2 71 - 2 - Peak 4472 from cnoeabs.peaks (7.96, 3.79, 58.58 ppm; 5.15 A): 4 out of 5 assignments used, quality = 0.90: * H ASP 81 + HA LYS 77 OK 77 100 - 78 - 1198=23, 4.5/4471=21...(17) H ASP 84 + HA LYS 77 OK 39 100 - 39 - 4.6/4469=7, 1198=7...(14) H VAL 30 + HA LYS 77 OK 19 92 - 20 - 3.9/6418=3, 3.9/6418=3...(10) HD21 ASN 14 + HA LYS 77 OK 10 65 - 15 - 4526/4.8=5, ~3270=5, ~3260=4 HE21 GLN 19 - HA LYS 77 lone 9 99 - 9 - 541/3.0=2, 4327/6420=2, ~549=1 Peak 4473 from cnoeabs.peaks (7.57, 4.16, 54.45 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 80 + HA ALA 78 OK 90 100 - 90 - 1191/3.0=39, 362/3.6=35...(16) QD PHE 83 + HA ALA 78 OK 57 93 - 62 - 6429/2.1=15, 1120/3.6=14...(14) HE21 GLN 48 - HA ALA 78 OK 24 97 - 24 - 6429/2.1=6, 1184/3.0=5...(5) Peak 4474 from cnoeabs.peaks (7.96, 4.16, 54.45 ppm; 3.98 A): 3 out of 5 assignments used, quality = 0.84: * H ASP 81 + HA ALA 78 OK 74 100 - 74 - 1197=29, 4.0/4477=23...(11) H ASP 84 + HA ALA 78 OK 30 100 - 31 - 1197=7, 1196/3.6=5...(8) H VAL 30 + HA ALA 78 OK 11 92 - 12 - 7133/3.6=3, 3.9/6451=2 HD21 ASN 14 - HA ALA 78 poor 7 65 - 11 - ~349=3, 1.7/6428=3, ~6431=3 HE21 GLN 19 - HA ALA 78 lone 7 99 - 6 - ~6432=2, 3.5/6437=1 Peak 4475 from cnoeabs.peaks (2.72, 4.16, 54.45 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.64: * HB2 ASP 81 + HA ALA 78 OK 64 100 - 65 - 1.8/4477=28, 4476=25...(7) HB3 ASN 13 - HA ALA 78 lone 7 100 - 7 - 3.5/4514=2, 3.5/4513=2 HB3 ASP 72 - HA ALA 78 lone 4 100 - 4 - 4.1/4479=1, 6446/2.1=1 HB3 PHE 17 - HA ALA 78 lone 3 99 - 3 - HB3 ASN 24 - HA ALA 78 lone 2 100 - 2 - Peak 4476 from cnoeabs.peaks (4.16, 2.72, 40.30 ppm; 3.81 A): 1 out of 8 assignments used, quality = 0.78: * HA ALA 78 + HB2 ASP 81 OK 78 100 - 78 - 4475=39, 4477/1.8=35...(7) HA THR 99 - HB2 ASP 81 lone 8 87 - 9 - 3.0/7020=3, 4478/1.8=2 HA VAL 25 - HB2 ASP 81 lone 7 99 - 7 - 4478/1.8=2, 3.0/75=1, 1197/4.0=1 HA3 GLY 90 - HB2 ASP 81 lone 5 100 - 5 - 4478/1.8=2, 1197/4.0=1 HA GLN 36 - HB2 ASP 81 lone 4 63 - 7 - ~7156=3, 4478/1.8=1 HB THR 15 - HB2 ASP 81 lone 3 68 - 4 - 3.8/4559=1 HA3 GLY 60 - HB2 ASP 81 lone 2 81 - 3 - HA3 GLY 47 - HB2 ASP 81 lone 2 81 - 2 - Peak 4477 from cnoeabs.peaks (2.63, 4.16, 54.45 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.79: * HB3 ASP 81 + HA ALA 78 OK 79 100 - 79 - 4478=38, 1.8/4475=34...(7) HB3 ASP 32 - HA ALA 78 lone 3 98 - 3 - HB3 ASP 12 - HA ALA 78 lone 2 99 - 2 - Peak 4478 from cnoeabs.peaks (4.16, 2.63, 40.30 ppm; 3.71 A): 1 out of 8 assignments used, quality = 0.79: * HA ALA 78 + HB3 ASP 81 OK 79 100 - 80 - 4477=43, 4475/1.8=32...(7) HA THR 99 - HB3 ASP 81 lone 6 87 - 7 - 4476/1.8=3, ~7020=2, 1203/4.4=1 HA VAL 25 - HB3 ASP 81 lone 6 99 - 6 - 4476/1.8=2, 1197/4.0=1 HA3 GLY 90 - HB3 ASP 81 lone 4 100 - 4 - 4476/1.8=2, 1197/4.0=1 HA GLN 36 - HB3 ASP 81 lone 4 63 - 6 - ~7156=3, 4476/1.8=1 HA3 GLY 60 - HB3 ASP 81 lone 2 81 - 3 - HB THR 15 - HB3 ASP 81 lone 2 68 - 2 - HA3 GLY 47 - HB3 ASP 81 lone 1 81 - 2 - Peak 4479 from cnoeabs.peaks (8.49, 4.16, 54.45 ppm; 4.36 A): 4 out of 6 assignments used, quality = 0.92: * H TRP 82 + HA ALA 78 OK 80 100 - 80 - 1203=32, 4.4/4477=25...(11) H PHE 83 + HA ALA 78 OK 45 92 - 49 - 4.6/1203=15, 6433/2.1=9...(11) H ALA 98 + HA ALA 78 OK 18 85 - 21 - 6998=5, 6433/2.1=3...(7) H ASP 72 + HA ALA 78 OK 16 90 - 17 - 6433/2.1=4, 1203=3...(4) H THR 42 - HA ALA 78 poor 8 78 - 10 - 178/2.1=3, 6457/3.6=2 H LEU 21 - HA ALA 78 lone 6 71 - 9 - 6457/3.6=3, 6433/2.1=2 Peak 4480 from cnoeabs.peaks (7.96, 4.27, 55.09 ppm; 5.29 A): 4 out of 5 assignments used, quality = 0.94: * H ASP 81 + HA ALA 79 OK 76 100 - 77 - 1196/3.0=24, 1121/3.6=23...(14) H ASP 84 + HA ALA 79 OK 64 100 - 64 - 4.6/4799=18, 4.7/1208=15...(13) H VAL 30 + HA ALA 79 OK 27 92 - 29 - 1121/3.6=6, 7133/3.0=5...(8) HE21 GLN 19 + HA ALA 79 OK 12 99 - 11 - 1121/3.6=2, 1.7/6467=2...(5) HD21 ASN 14 - HA ALA 79 poor 7 65 - 11 - ~1186=4, 3.5/4482=3 Peak 4481 from cnoeabs.peaks (8.49, 4.27, 55.09 ppm; 3.86 A): 5 out of 6 assignments used, quality = 0.92: * H TRP 82 + HA ALA 79 OK 67 100 - 67 - 1202=19, 4.0/4482=17...(14) H PHE 83 + HA ALA 79 OK 62 92 - 68 - 4.3/4482=16, 1208=15...(14) H ASP 72 + HA ALA 79 OK 16 90 - 17 - 6457/3.0=3, 6459/2.1=3...(6) H LEU 21 + HA ALA 79 OK 14 71 - 19 - 6459/2.1=4, 4.0/6478=3...(7) H ALA 98 + HA ALA 79 OK 13 85 - 15 - 6459/2.1=3, 1194/3.6=3...(4) H THR 42 - HA ALA 79 lone 8 78 - 10 - 4.6/6478=2, 6457/3.0=2...(4) Peak 4482 from cnoeabs.peaks (2.54, 4.27, 55.09 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.71: * HB2 TRP 82 + HA ALA 79 OK 71 100 - 72 - 4483=28, 1.8/4484=25...(13) HB3 ASN 14 - HA ALA 79 lone 6 85 - 7 - ~1186=2, 7207=1 HB2 ASN 13 - HA ALA 79 lone 5 96 - 6 - HB3 ASN 43 - HA ALA 79 lone 4 97 - 4 - Peak 4483 from cnoeabs.peaks (4.27, 2.54, 30.57 ppm; 4.15 A): 3 out of 8 assignments used, quality = 0.81: * HA ALA 79 + HB2 TRP 82 OK 75 100 - 75 - 4482=39, 4484/1.8=24...(13) HD2 PRO 73 + HB2 TRP 82 OK 13 99 - 13 - 4485/1.8=4, 1208/4.3=3...(4) HA3 GLY 85 + HB2 TRP 82 OK 12 100 - 12 - 1208/4.3=4, 4485/1.8=3 HA GLU 58 - HB2 TRP 82 lone 9 100 - 9 - 4485/1.8=3, ~5898=3 HA LYS 63 - HB2 TRP 82 lone 8 100 - 8 - 4485/1.8=2, 1208/4.3=1 HA VAL 68 - HB2 TRP 82 lone 6 78 - 8 - 4485/1.8=2, 5283/6568=1 HA LYS 45 - HB2 TRP 82 lone 5 73 - 7 - 3.6/5553=2, 4485/1.8=1 HA3 GLY 64 - HB2 TRP 82 lone 3 63 - 4 - Peak 4484 from cnoeabs.peaks (3.09, 4.27, 55.09 ppm; 4.40 A): 3 out of 6 assignments used, quality = 0.79: * HB3 TRP 82 + HA ALA 79 OK 73 100 - 74 - 1.8/4482=34, 4485=28...(13) HB2 TYR 33 + HA ALA 79 OK 12 100 - 12 - 5141/6466=3, 5277/6487=1 HE3 LYS 41 + HA ALA 79 OK 11 100 - 11 - 3.8/6476=2, 4.8/6478=2...(4) HE3 LYS 77 - HA ALA 79 lone 5 100 - 5 - ~6472=1 HE2 LYS 77 - HA ALA 79 lone 3 76 - 4 - ~6472=1 HB2 ASP 56 - HA ALA 79 lone 2 71 - 2 - Peak 4485 from cnoeabs.peaks (4.27, 3.09, 30.57 ppm; 4.17 A): 4 out of 8 assignments used, quality = 0.80: * HA ALA 79 + HB3 TRP 82 OK 71 100 - 71 - 4482/1.8=31, 4484=30...(13) HD2 PRO 73 + HB3 TRP 82 OK 12 99 - 12 - 4483/1.8=4, 1208/4.3=3...(4) HA3 GLY 85 + HB3 TRP 82 OK 12 100 - 12 - 1208/4.3=4, 4483/1.8=3 HA GLU 58 + HB3 TRP 82 OK 11 100 - 11 - 3.0/5898=4, 4483/1.8=3 HA LYS 63 - HB3 TRP 82 lone 7 100 - 7 - 4483/1.8=2, 1208/4.3=1 HA VAL 68 - HB3 TRP 82 lone 6 78 - 7 - 4483/1.8=2 HA LYS 45 - HB3 TRP 82 lone 5 73 - 6 - 3.8/6569=2, 4483/1.8=2 HA3 GLY 64 - HB3 TRP 82 lone 3 63 - 4 - Peak 4486 from cnoeabs.peaks (8.48, 4.27, 55.09 ppm; 4.14 A): 3 out of 9 assignments used, quality = 0.93: * H PHE 83 + HA ALA 79 OK 75 100 - 75 - 1208=21, 4.3/4482=18...(14) H TRP 82 + HA ALA 79 OK 63 92 - 69 - 4.0/4482=20, 1202=17...(14) H LEU 21 + HA ALA 79 OK 22 97 - 22 - 4798=3, 4.0/6478=3...(7) H ASP 72 - HA ALA 79 OK 18 100 - 18 - 6457/3.0=3, 1202=2...(7) H ALA 98 - HA ALA 79 OK 17 100 - 17 - 6457/3.0=3, 1194/3.6=3...(6) H THR 42 - HA ALA 79 OK 11 99 - 11 - 4.6/6478=2, 6457/3.0=2...(4) H ASP 71 - HA ALA 79 lone 4 63 - 6 - 4.3/6471=1, 4.6/1202=1 H THR 15 - HA ALA 79 lone 3 76 - 4 - 4.6/4482=1 H ILE 93 - HA ALA 79 lone 3 78 - 4 - Peak 4487 from cnoeabs.peaks (8.49, 3.42, 65.57 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.94: * H TRP 82 + HA ILE 80 OK 71 100 - 71 - 1200=22, 372/3.6=20...(12) H PHE 83 + HA ILE 80 OK 68 92 - 74 - 4.0/4491=23, 1207=14...(17) H ALA 98 + HA ILE 80 OK 32 85 - 38 - 7018/4.2=12, 4.4/6515=10...(7) H LEU 21 - HA ILE 80 OK 28 71 - 40 - 4.7/3358=10, 4.7/6498=8...(10) H ASP 72 - HA ILE 80 OK 17 90 - 18 - 1194/3.0=3, 1200=3...(8) H THR 42 - HA ILE 80 lone 8 78 - 10 - 1194/3.0=2, 6541/3.2=1...(4) Peak 4488 from cnoeabs.peaks (8.48, 3.42, 65.57 ppm; 4.82 A): 4 out of 9 assignments used, quality = 0.97: * H PHE 83 + HA ILE 80 OK 77 100 - 77 - 4.0/4491=24, 1207=15...(17) H TRP 82 + HA ILE 80 OK 63 92 - 68 - 1200=20, 372/3.6=18...(11) H ALA 98 + HA ILE 80 OK 43 100 - 43 - 7018/4.2=15, 4.4/6515=10...(7) H LEU 21 + HA ILE 80 OK 43 97 - 44 - 4.7/3358=10, 4.7/6498=8...(10) H ASP 72 - HA ILE 80 OK 18 100 - 18 - 1194/3.0=3, 1200=3...(7) H ILE 93 - HA ILE 80 OK 12 78 - 15 - 5.0/6839=6, 653/4.2=2...(5) H THR 42 - HA ILE 80 OK 11 99 - 11 - 1194/3.0=2, 6544/4.2=1...(5) H THR 15 - HA ILE 80 poor 8 76 - 11 - 4.6/4491=5, ~4564=1 H ASP 71 - HA ILE 80 poor 8 63 - 12 - 4.3/6514=4, 4.6/917=2...(4) Peak 4489 from cnoeabs.peaks (3.43, 3.42, 65.57 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: HA ILE 80 + HA ILE 80 OK 95 95 - 100 Reference assignment not found: HB2 PHE 83 - HA ILE 80 Peak 4490 from cnoeabs.peaks (3.42, 3.43, 40.44 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: HB2 PHE 83 + HB2 PHE 83 OK 95 95 - 100 Reference assignment not found: HA ILE 80 - HB2 PHE 83 Peak 4491 from cnoeabs.peaks (3.48, 3.42, 65.57 ppm; 3.92 A): 0 out of 4 assignments used, low quality = 0.41: ! HB3 PHE 83 - HA ILE 80 OK 41 100 - 42 - 4.0/1207=8, 6884/6500=6...(11) HB2 ASN 14 - HA ILE 80 lone 9 99 - 9 - 6884/6500=1, 6891/6499=1 HA ILE 27 - HA ILE 80 lone 4 57 - 7 - 4.2/6499=1 HD3 PRO 74 - HA ILE 80 lone 3 96 - 3 - Peak 4492 from cnoeabs.peaks (3.42, 3.48, 40.44 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.95: HB2 PHE 83 + HB3 PHE 83 OK 95 95 - 100 - 1.8=100 Reference assignment not found: HA ILE 80 - HB3 PHE 83 Peak 4495 from cnoeabs.peaks (7.95, 4.31, 56.84 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: H ASP 81 + HA ASP 81 OK 100 100 - 100 - 3.0=100 Reference assignment not found: H ASP 84 - HA ASP 81 Peak 4496 from cnoeabs.peaks (3.19, 4.31, 56.84 ppm; 5.48 A): 3 out of 8 assignments used, quality = 0.64: * HB2 ASP 84 + HA ASP 81 OK 50 100 - 51 - 4497=30, 3538/3.0=14...(5) HB2 PHE 97 + HA ASP 81 OK 16 100 - 16 - 985/3.0=4, 6519/7125=3...(5) HB2 ASP 84 + HA ASP 32 OK 14 91 - 15 - 4497=9, 6639/7125=3, ~706=2 HD3 ARG 57 - HA ASP 81 lone 4 92 - 5 - HD2 ARG 57 - HA ASP 81 lone 4 89 - 4 - HB2 PHE 97 - HA ASP 32 lone 4 91 - 4 - 6519/7125=2 HD3 ARG 57 - HA ASP 32 lone 2 79 - 3 - HD2 ARG 57 - HA ASP 32 lone 2 76 - 3 - Peak 4497 from cnoeabs.peaks (4.31, 3.19, 41.76 ppm; 5.68 A): 2 out of 4 assignments used, quality = 0.56: * HA ASP 81 + HB2 ASP 84 OK 48 100 - 49 - 4496=26, 3.0/3538=14...(5) HA ASP 32 + HB2 ASP 84 OK 14 97 - 14 - 4496=8, 7125/6639=3, ~706=2 HA PHE 34 - HB2 ASP 84 lone 7 85 - 8 - 7125/6639=2, ~719=2, ~6622=2 HB THR 59 - HB2 ASP 84 lone 3 97 - 3 - Peak 4498 from cnoeabs.peaks (2.78, 4.31, 56.84 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.68: HB2 ASP 32 + HA ASP 32 OK 68 68 - 100 - 3.0=100 Reference assignment not found: HB3 ASP 84 - HA ASP 81 Peak 4500 from cnoeabs.peaks (7.95, 4.36, 59.12 ppm; 4.70 A): 4 out of 5 assignments used, quality = 0.82: H ASP 81 + HA TRP 82 OK 54 100 - 54 - 372/3.0=22, 6548/3.0=18...(6) * H ASP 84 + HA TRP 82 OK 42 100 - 42 - 1124/3.6=18, 372/3.0=12...(4) HE21 GLN 19 + HA TRP 82 OK 18 100 - 17 - 1.7/6560=4, 6562/3.0=3...(6) H VAL 30 + HA TRP 82 OK 18 83 - 21 - 6562/3.0=4, 6558/3.0=4...(6) HD21 ASN 14 - HA TRP 82 lone 5 78 - 7 - 1124/3.6=2, 372/3.0=1, ~967=1 Peak 4502 from cnoeabs.peaks (2.33, 2.67, 41.01 ppm; 4.58 A): 0 out of 5 assignments used, low quality = 0.35: HG2 PRO 73 - HB2 ASP 12 OK 35 63 - 56 - 2.3/7197=29, ~7198=13...(6) HG3 GLU 58 - HB2 ASP 12 lone 3 92 - 3 - HG2 GLU 23 - HB2 ASP 12 lone 3 99 - 3 - 1504/4.6=1 HG3 GLN 36 - HB2 ASP 12 lone 1 71 - 2 - HG2 GLN 48 - HB2 ASP 12 lone 1 92 - 1 - Peak 4505 from cnoeabs.peaks (7.34, 2.53, 38.30 ppm; 4.20 A): 4 out of 12 assignments used, quality = 0.59: QD PHE 97 + HB2 ASN 13 OK 36 99 - 37 - 4506/1.8=22, 4507/3.5=18 H GLY 38 + HB3 ASN 14 OK 15 98 - 15 - 5335/3.0=8, 4540/4.6=5 HZ2 TRP 82 + HB2 ASN 13 OK 14 100 - 13 - 4506/1.8=6, 4507/3.5=5 H GLY 38 + HB2 ASN 13 OK 13 100 - 13 - 4506/1.8=6, 4507/3.5=3 QD PHE 97 - HB3 ASN 14 lone 8 96 - 8 - 4540/4.6=5, 6395/4534=2 HD21 ASN 91 - HB2 ASN 13 lone 5 87 - 6 - 4506/1.8=3, 4507/3.5=2 HZ2 TRP 82 - HB3 ASN 14 lone 4 98 - 4 - 4540/4.6=2 HD21 ASN 91 - HB3 ASN 14 lone 3 83 - 4 - 4540/4.6=2, ~6771=1 H GLY 38 - HB3 ASN 43 lone 1 34 - 2 - HZ2 TRP 82 - HB3 ASN 43 lone 1 35 - 2 - QD PHE 97 - HB3 ASN 43 lone 0 33 - 1 - HD21 ASN 91 - HB3 ASN 43 lone 0 26 - 1 - Peak 4506 from cnoeabs.peaks (7.34, 2.71, 38.30 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.52: QD PHE 97 + HB3 ASN 13 OK 40 99 - 41 - 4763=17, 4507/3.5=16...(4) H GLY 38 + HB3 ASN 13 OK 11 100 - 10 - 4505/1.8=4, 4507/3.5=3 HZ2 TRP 82 + HB3 ASN 13 OK 10 100 - 10 - 4505/1.8=4, 4507/3.5=4 HD21 ASN 91 - HB3 ASN 13 lone 5 87 - 5 - 4507/3.5=2, 4505/1.8=2 H GLY 38 - HB3 ASN 24 lone 4 98 - 4 - 5335/3.0=2, 5330/3.5=1 QD PHE 97 - HB3 ASN 24 lone 4 96 - 4 - 6963=2 HD21 ASN 91 - HB3 ASN 24 lone 2 83 - 2 - HZ2 TRP 82 - HB3 ASN 24 lone 1 98 - 1 - Peak 4508 from cnoeabs.peaks (8.95, 2.52, 38.34 ppm; 5.12 A): 2 out of 8 assignments used, quality = 0.80: H PHE 70 + HB3 ASN 14 OK 77 97 - 79 - 6220=39, 6219/3.0=38...(5) H VAL 18 + HB2 ASN 13 OK 11 86 - 12 - 4684/4.0=4, 35/1.8=4, 38/3.5=3 H SER 96 - HB3 ASN 14 lone 5 73 - 7 - 4.4/4533=5 H PHE 70 - HB2 ASN 13 lone 4 94 - 5 - 6220=2, 6402/4534=1 H ASP 56 - HB3 ASN 14 lone 3 97 - 3 - H SER 96 - HB2 ASN 13 lone 2 69 - 4 - 6937/1.8=1 H VAL 18 - HB3 ASN 14 lone 2 90 - 2 - H ASP 56 - HB2 ASN 13 lone 2 94 - 2 - Peak 4522 from cnoeabs.peaks (8.97, 3.49, 38.34 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.73: H PHE 70 + HB2 ASN 14 OK 73 99 - 73 - 6219/3.0=32, 6220/1.8=32...(6) H ASP 56 - HB2 ASN 14 lone 1 68 - 2 - Peak 4527 from cnoeabs.peaks (2.79, 3.49, 38.34 ppm; 5.13 A): 3 out of 3 assignments used, quality = 0.71: HB3 PHE 70 + HB2 ASN 14 OK 63 99 - 63 - 1.8/7118=37, 4.1/4522=32...(5) HB3 ASP 84 + HB2 ASN 14 OK 13 98 - 13 - 4.0/389=3, 6880/4530=2 HB3 PHE 34 + HB2 ASN 14 OK 12 93 - 13 - 918/4522=3, 4.4/5212=3 Peak 4528 from cnoeabs.peaks (2.31, 3.49, 38.34 ppm; 5.04 A): 1 out of 5 assignments used, quality = 0.89: HB3 PRO 73 + HB2 ASN 14 OK 89 97 - 92 - 4532/1.8=31, ~6309=28...(12) HB3 LYS 86 - HB2 ASN 14 poor 8 68 - 11 - 4.0/6668=3, 2.8/7127=3...(4) HG2 GLU 23 - HB2 ASN 14 lone 3 65 - 5 - 4081/4.0=3, 4532/1.8=1 HG3 GLU 58 - HB2 ASN 14 lone 3 100 - 3 - 4532/1.8=1 HG3 GLN 36 - HB2 ASN 14 lone 2 100 - 2 - Peak 4530 from cnoeabs.peaks (1.95, 3.49, 38.34 ppm; 4.92 A): 2 out of 7 assignments used, quality = 0.88: HG3 PRO 73 + HB2 ASN 14 OK 83 100 - 83 - 2.3/4528=30, 4533/1.8=23...(10) HB VAL 95 + HB2 ASN 14 OK 29 100 - 29 - 2.1/6884=8, 4533/1.8=7...(7) HG3 PRO 49 - HB2 ASN 14 lone 5 99 - 5 - HB2 LYS 45 - HB2 ASN 14 lone 5 100 - 5 - 4533/1.8=1, ~4533=1 HB3 LYS 45 - HB2 ASN 14 lone 5 100 - 5 - 4533/1.8=1, ~4533=1 HG2 GLN 19 - HB2 ASN 14 lone 1 65 - 2 - HB2 GLU 65 - HB2 ASN 14 lone 1 60 - 2 - Peak 4531 from cnoeabs.peaks (1.60, 3.49, 38.34 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.92: QB ALA 76 + HB2 ASN 14 OK 79 100 - 79 - 6378/3.0=36, 6400/4.0=16...(14) HD3 LYS 41 + HB2 ASN 14 OK 29 60 - 49 - ~5486=7, 4534/1.8=6...(13) HD2 LYS 41 + HB2 ASN 14 OK 29 60 - 49 - ~5486=7, 4534/1.8=6...(13) HD2 LYS 63 + HB2 ASN 14 OK 21 100 - 21 - 7134/3.0=5, 4539/4.0=5...(6) HG3 LYS 77 - HB2 ASN 14 poor 9 63 - 14 - ~3310=2, ~3270=2...(8) HG2 LYS 77 - HB2 ASN 14 poor 8 60 - 14 - ~3310=2, ~3270=2...(6) Peak 4532 from cnoeabs.peaks (2.31, 2.52, 38.34 ppm; 4.50 A): 2 out of 10 assignments used, quality = 0.87: HB3 PRO 73 + HB3 ASN 14 OK 84 97 - 87 - 4528/1.8=27, 2.3/6306=25...(12) HB3 PRO 73 + HB2 ASN 13 OK 21 94 - 22 - 2.3/6306=9, 2.3/4533=6...(5) HB3 LYS 86 - HB3 ASN 14 lone 4 68 - 5 - 4528/1.8=2, ~7127=2 HG3 GLU 58 - HB3 ASN 14 lone 3 100 - 3 - HG2 GLU 23 - HB3 ASN 14 lone 3 65 - 4 - 4081/4.0=2, 4528/1.8=1 HG2 GLU 23 - HB2 ASN 13 lone 3 62 - 4 - 4081/4.6=2 HG3 GLU 58 - HB2 ASN 13 lone 2 97 - 2 - HG3 GLN 36 - HB3 ASN 14 lone 2 100 - 2 - HG3 GLN 36 - HB2 ASN 13 lone 2 97 - 2 - HB3 LYS 86 - HB2 ASN 13 lone 1 64 - 2 - Peak 4533 from cnoeabs.peaks (1.94, 2.52, 38.34 ppm; 4.35 A): 3 out of 10 assignments used, quality = 0.78: HG3 PRO 73 + HB3 ASN 14 OK 66 95 - 71 - 2.3/4532=23, 4530/1.8=19...(8) HB VAL 95 + HB3 ASN 14 OK 20 98 - 20 - 4530/1.8=7, ~6884=5...(5) HG3 PRO 73 + HB2 ASN 13 OK 18 91 - 20 - 3.8/6306=6, 2.3/4532=6...(5) HB2 LYS 45 - HB3 ASN 14 lone 3 95 - 4 - 4530/1.8=1 HB3 LYS 45 - HB3 ASN 14 lone 3 95 - 4 - 4530/1.8=1 HG3 PRO 49 - HB3 ASN 14 lone 2 100 - 2 - 4530/1.8=1 HB VAL 95 - HB2 ASN 13 lone 1 95 - 2 - HB2 LYS 45 - HB2 ASN 13 lone 1 91 - 1 - HB3 LYS 45 - HB2 ASN 13 lone 1 91 - 1 - HG3 PRO 49 - HB2 ASN 13 lone 1 98 - 1 - Peak 4534 from cnoeabs.peaks (1.60, 2.52, 38.34 ppm; 4.51 A): 4 out of 8 assignments used, quality = 0.93: QB ALA 76 + HB3 ASN 14 OK 78 100 - 78 - 6378/3.0=36, 4531/1.8=17...(11) HD3 LYS 41 + HB3 ASN 14 OK 35 73 - 48 - ~5486=7, 4525/3.5=7...(13) HD2 LYS 41 + HB3 ASN 14 OK 35 73 - 48 - ~5486=7, 4525/3.5=7...(13) QB ALA 76 + HB2 ASN 13 OK 22 98 - 23 - 6400/4.6=14, 6398/4.0=4...(4) HD2 LYS 63 - HB3 ASN 14 OK 22 99 - 22 - 7134/3.0=5, 4531/1.8=5...(6) HD2 LYS 63 - HB2 ASN 13 OK 19 96 - 19 - 7103/3.0=11, 4539/4.6=4...(4) HD2 LYS 41 - HB2 ASN 13 lone 3 69 - 4 - 4539/4.6=2 HD3 LYS 41 - HB2 ASN 13 lone 3 69 - 4 - 4539/4.6=2 Peak 4535 from cnoeabs.peaks (4.40, 2.52, 38.34 ppm; 4.20 A): 4 out of 14 assignments used, quality = 0.94: HA PRO 73 + HB3 ASN 14 OK 83 100 - 83 - 6309/3.0=35, 6306=31...(9) HA PRO 74 + HB3 ASN 14 OK 37 100 - 37 - 4.5/6306=14, 7135/3.0=9...(6) HA PRO 73 + HB2 ASN 13 OK 31 97 - 32 - 6306=11, 4537/4.6=7...(7) HA ASP 71 + HB3 ASN 14 OK 14 97 - 15 - 4537/4.0=4, 4536/1.8=3...(4) HA PRO 74 - HB2 ASN 13 lone 10 98 - 10 - 4.5/6306=5, 4537/4.6=4 HA SER 29 - HB3 ASN 14 lone 5 89 - 6 - 4536/1.8=2, ~1138=2, 7135/3.0=1 HB THR 46 - HB3 ASN 14 lone 5 98 - 5 - 4536/1.8=1 HA ASP 71 - HB2 ASN 13 lone 5 93 - 5 - 4537/4.6=3 HA THR 42 - HB2 ASN 13 lone 3 77 - 4 - ~4559=1 HA MET 50 - HB3 ASN 14 lone 3 73 - 3 - 4536/1.8=1 HA THR 42 - HB3 ASN 14 lone 2 81 - 3 - HB THR 46 - HB2 ASN 13 lone 2 95 - 2 - HA MET 50 - HB2 ASN 13 lone 2 69 - 2 - HA SER 29 - HB2 ASN 13 lone 1 85 - 2 - Peak 4536 from cnoeabs.peaks (4.41, 3.49, 38.34 ppm; 4.47 A): 3 out of 8 assignments used, quality = 0.89: HA PRO 73 + HB2 ASN 14 OK 81 97 - 84 - 6309/3.0=36, 6306/1.8=26...(12) HA PRO 74 + HB2 ASN 14 OK 33 100 - 34 - 7135/3.0=9, 4535/1.8=7...(7) HA ASP 71 + HB2 ASN 14 OK 15 100 - 15 - 4537/4.0=4, 7135/3.0=3...(4) HA SER 29 - HB2 ASN 14 lone 7 76 - 9 - 3.6/1143=3, 2.9/1138=2...(4) HB THR 46 - HB2 ASN 14 lone 6 92 - 6 - 4535/1.8=1 HA MET 50 - HB2 ASN 14 lone 4 87 - 5 - HA THR 42 - HB2 ASN 14 lone 2 65 - 3 - HA THR 59 - HB2 ASN 14 lone 1 73 - 2 - Peak 4541 from cnoeabs.peaks (8.95, 5.54, 61.97 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.92: H PHE 70 + HA THR 15 OK 88 98 - 90 - 6218=47, 3.6/6204=31...(15) H VAL 18 + HA THR 15 OK 25 89 - 28 - 4546/3.2=7, 4638/3.6=7...(7) H SER 96 + HA THR 15 OK 11 71 - 15 - 6935/4.9=6, 4546/3.2=2...(5) H ASP 56 - HA THR 15 lone 9 97 - 9 - 4638/3.6=2, 4546/3.2=2 Peak 4542 from cnoeabs.peaks (8.08, 5.54, 61.97 ppm; 4.73 A): 3 out of 4 assignments used, quality = 0.93: H VAL 68 + HA THR 15 OK 90 98 - 92 - 6164=44, 4.1/6082=28...(15) H ASN 13 + HA THR 15 OK 20 90 - 22 - ~4558=8, 4637/3.6=4...(6) H SER 75 + HA THR 15 OK 13 89 - 14 - 6353/6399=5, 6348/4544=3 H THR 59 - HA THR 15 lone 6 95 - 6 - 4637/3.6=1, 4547/3.2=1 Peak 4543 from cnoeabs.peaks (7.69, 5.54, 61.97 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.98: H SER 69 + HA THR 15 OK 98 99 - 99 - 3.0/4552=49, 6207=46...(17) H ILE 51 - HA THR 15 lone 2 60 - 4 - Peak 4544 from cnoeabs.peaks (7.05, 5.54, 61.97 ppm; 4.89 A): 2 out of 5 assignments used, quality = 0.65: QD PHE 70 + HA THR 15 OK 60 100 - 60 - 4.6/6218=31, 4614/3.6=22...(5) HD21 ASN 13 + HA THR 15 OK 13 63 - 20 - 4517/7003=5, ~4504=3...(6) HD22 ASN 91 - HA THR 15 lone 9 92 - 10 - ~4540=3, 6768/3.0=2, ~6774=2 HZ PHE 17 - HA THR 15 lone 6 95 - 6 - 6991/7003=1 HZ3 TRP 82 - HA THR 15 lone 5 97 - 5 - 6393/6399=1 Peak 4546 from cnoeabs.peaks (8.95, 1.16, 20.93 ppm; 4.60 A): 5 out of 5 assignments used, quality = 0.93: H PHE 70 + QG2 THR 15 OK 78 92 - 84 - 3.6/4551=35, 6218/3.2=35...(12) H VAL 18 + QG2 THR 15 OK 55 97 - 57 - 3.6/4550=25...(8) H SER 96 + QG2 THR 15 OK 14 85 - 17 - 4541/3.2=3, 6054/4553=3...(7) H ALA 66 + QG2 THR 15 OK 14 65 - 21 - 4.6/6099=7, 6054/4553=4...(6) H ASP 56 + QG2 THR 15 OK 12 100 - 11 - 4541/3.2=3, 4638/4.1=2 Peak 4547 from cnoeabs.peaks (8.09, 1.16, 20.93 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.79: H VAL 68 + QG2 THR 15 OK 79 100 - 79 - 3.6/4553=21, 6164/3.2=20...(18) H ASN 13 - QG2 THR 15 lone 10 100 - 10 - 4542/3.2=2, 4637/4.1=2...(4) H ILE 39 - QG2 THR 15 lone 5 65 - 8 - 4637/4.1=2, 4.6/4569=1 H THR 59 - QG2 THR 15 lone 3 71 - 4 - H GLU 23 - QG2 THR 15 lone 3 68 - 4 - H SER 75 - QG2 THR 15 lone 3 60 - 5 - 4542/3.2=2 Peak 4548 from cnoeabs.peaks (7.67, 1.16, 20.93 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.94: H SER 69 + QG2 THR 15 OK 92 100 - 92 - 3.0/4551=41, 6207/3.2=28...(13) H GLN 48 + QG2 THR 15 OK 14 85 - 16 - 5609=5, 5585/4.1=3...(4) HD21 ASN 43 + QG2 THR 15 OK 13 71 - 18 - 1.7/5542=4, 5.7/4046=3...(5) Peak 4550 from cnoeabs.peaks (5.38, 1.16, 20.93 ppm; 4.36 A): 0 out of 2 assignments used, low quality = 0.32: HA PHE 17 - QG2 THR 15 OK 32 78 - 40 - 4657/4553=11, 3.6/4546=8...(8) HA ASP 72 - QG2 THR 15 lone 7 100 - 7 - 7002/7014=1, 6144/4547=1 Peak 4551 from cnoeabs.peaks (5.22, 1.16, 20.93 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.83: HA SER 69 + QG2 THR 15 OK 83 95 - 88 - 4552/3.2=29, 4561/4.1=22...(16) Peak 4552 from cnoeabs.peaks (5.22, 5.54, 61.97 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.85: HA SER 69 + HA THR 15 OK 85 95 - 90 - 6204=45, 4551/3.2=23...(16) Peak 4553 from cnoeabs.peaks (5.75, 1.16, 20.93 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.78: HA THR 67 + QG2 THR 15 OK 78 100 - 78 - 3.6/4547=22, 3.2/4570=19...(14) Peak 4555 from cnoeabs.peaks (3.69, 5.54, 61.97 ppm; 5.04 A): 1 out of 5 assignments used, quality = 0.95: HB2 SER 69 + HA THR 15 OK 95 98 - 96 - 3.0/4552=45, 4.5/6218=33...(16) HA LEU 21 - HA THR 15 OK 34 100 - 34 - 4.0/4791=11, 2.9/4797=7...(12) HD2 PRO 74 - HA THR 15 lone 5 100 - 5 - HD3 PRO 49 - HA THR 15 lone 4 76 - 5 - 3.0/4567=1 HA2 GLY 47 - HA THR 15 lone 3 89 - 3 - Peak 4560 from cnoeabs.peaks (5.23, 4.13, 70.92 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.95: HA SER 69 + HB THR 15 OK 95 100 - 95 - 4551/2.1=45, 6204/3.0=43...(15) HD1 TRP 82 - HB THR 15 lone 3 68 - 4 - 4554/3.8=2 Peak 4564 from cnoeabs.peaks (0.83, 5.54, 61.97 ppm; 4.47 A): 3 out of 8 assignments used, quality = 0.90: QG2 ILE 16 + HA THR 15 OK 82 100 - 82 - 4.0/22=34, 3.2/4616=25...(22) QG2 ILE 40 + HA THR 15 OK 31 92 - 34 - 5451/6157=8, 5387/6207=8...(10) QG1 VAL 30 + HA THR 15 OK 21 97 - 22 - 5110/6157=5, 620/3.6=3...(7) QG2 ILE 37 - HA THR 15 OK 18 87 - 20 - 4622=4, 620/3.6=3...(8) QG2 VAL 30 - HA THR 15 OK 15 90 - 17 - 620/3.6=2, 5107/4791=2...(7) QG2 VAL 25 - HA THR 15 OK 15 95 - 16 - 4913/4791=2, 620/3.6=2...(6) QG2 ILE 80 - HA THR 15 OK 14 95 - 15 - 620/3.6=4, 6384/6399=2 QD2 LEU 62 - HA THR 15 OK 11 99 - 11 - 620/3.6=1 Peak 4565 from cnoeabs.peaks (1.29, 5.54, 61.97 ppm; 4.25 A): 5 out of 5 assignments used, quality = 0.93: HG12 ILE 16 + HA THR 15 OK 70 100 - 70 - 4.6/22=26, 4.1/4616=19...(12) QB ALA 98 + HA THR 15 OK 62 83 - 75 - 7003=23, 4569/3.2=19...(12) HG13 ILE 39 + HA THR 15 OK 17 100 - 17 - 4562/3.0=3, 4568/3.0=3...(7) QG2 THR 26 + HA THR 15 OK 13 81 - 16 - 4918/3.6=4, 4569/3.2=3...(4) HG3 LYS 35 + HA THR 15 OK 11 83 - 12 - 4568/3.0=3, 4569/3.2=2...(5) Peak 4567 from cnoeabs.peaks (1.59, 5.54, 61.97 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.82: QB ALA 76 + HA THR 15 OK 79 97 - 82 - 6399=43, 6378/4.9=26...(11) HD2 LYS 63 + HA THR 15 OK 12 100 - 11 - 4563/3.0=4, 7134/4.9=4 HB3 PRO 49 - HA THR 15 lone 4 65 - 5 - 5435/4564=1 HG3 LYS 77 - HA THR 15 lone 2 81 - 2 - HG2 LYS 77 - HA THR 15 lone 1 78 - 2 - Peak 4568 from cnoeabs.peaks (1.28, 4.13, 70.92 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.68: QB ALA 98 + HB THR 15 OK 54 97 - 56 - 4569/2.1=20, 6999=16...(8) HG12 ILE 16 + HB THR 15 OK 30 96 - 32 - 4569/2.1=9, 621/4.4=8...(6) QG2 THR 26 - HB THR 15 lone 9 96 - 9 - 4569/2.1=3, 4918/4.4=2...(4) HG3 LYS 35 - HB THR 15 lone 8 97 - 8 - 4569/2.1=2, 5237=2, 4565/3.0=1 HG13 ILE 39 - HB THR 15 lone 7 99 - 7 - 4569/2.1=2, 4565/3.0=2 HG3 LYS 86 - HB THR 15 lone 1 63 - 1 - Peak 4569 from cnoeabs.peaks (1.27, 1.16, 20.93 ppm; 2.76 A): 2 out of 6 assignments used, quality = 0.67: QB ALA 98 + QG2 THR 15 OK 55 99 - 56 - 7014=26, 4568/2.1=11...(14) HG12 ILE 16 + QG2 THR 15 OK 26 90 - 29 - 4.6/4046=7, 4568/2.1=6...(10) QG2 THR 26 - QG2 THR 15 lone 9 99 - 9 - 4568/2.1=2, 4918/4.1=2 HG13 ILE 39 - QG2 THR 15 lone 6 96 - 6 - 4568/2.1=2, 4565/3.2=1 HG3 LYS 35 - QG2 THR 15 lone 6 99 - 6 - 4568/2.1=2 HG3 LYS 86 - QG2 THR 15 lone 1 73 - 2 - Peak 4570 from cnoeabs.peaks (1.45, 1.16, 20.93 ppm; 3.23 A): 2 out of 10 assignments used, quality = 0.74: QG2 THR 67 + QG2 THR 15 OK 70 100 - 70 - 6092=22, 3.2/4553=18...(12) HB ILE 51 + QG2 THR 15 OK 15 100 - 16 - 5728=2, 2.1/5735=2...(7) HG13 ILE 51 - QG2 THR 15 poor 9 83 - 10 - 3.0/5728=2, 3.2/5735=2...(5) QB ALA 31 - QG2 THR 15 lone 9 97 - 9 - 5079/4.1=2, 5102/6136=2 HG12 ILE 80 - QG2 THR 15 lone 7 100 - 7 - 4576/4.1=2 HB2 LYS 41 - QG2 THR 15 lone 7 90 - 8 - 5474/4571=2, 4576/4.1=1 HG3 LYS 63 - QG2 THR 15 lone 2 83 - 3 - HG2 LYS 63 - QG2 THR 15 lone 2 83 - 3 - HG2 LYS 44 - QG2 THR 15 lone 2 85 - 2 - HG3 LYS 94 - QG2 THR 15 lone 2 96 - 2 - Peak 4571 from cnoeabs.peaks (3.61, 1.16, 20.93 ppm; 5.39 A): 2 out of 3 assignments used, quality = 0.90: HB3 SER 69 + QG2 THR 15 OK 83 87 - 95 - 3.0/4551=46, ~4560=27...(12) HA ALA 76 + QG2 THR 15 OK 40 95 - 42 - ~6399=24, ~4567=21 HA2 GLY 90 - QG2 THR 15 lone 2 98 - 2 - Peak 4578 from cnoeabs.peaks (1.14, 5.18, 59.05 ppm; 4.81 A): 4 out of 5 assignments used, quality = 0.93: QG2 THR 15 + HA ILE 16 OK 67 83 - 81 - 3.2/4616=28, 4046/3.0=25...(11) HB3 LEU 21 + HA ILE 16 OK 47 87 - 54 - 3.1/4580=16, ~4586=7...(17) HB2 LEU 21 + HA ILE 16 OK 45 83 - 54 - 3.1/4580=16, ~4586=7...(17) HG13 ILE 27 + HA ILE 16 OK 24 73 - 33 - 4097/3.0=6, 2.1/4579=6...(9) QG2 THR 46 - HA ILE 16 lone 3 99 - 3 - Peak 4579 from cnoeabs.peaks (0.97, 5.18, 59.05 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.95: QG1 VAL 95 + HA ILE 16 OK 86 99 - 87 - 4583/3.0=22, 4599/4.2=21...(16) QB ALA 66 + HA ILE 16 OK 50 95 - 53 - 4671/3.6=10, 4599/4.2=10...(15) QD1 ILE 27 + HA ILE 16 OK 23 71 - 33 - ~4097=5, 4098/3.0=5...(9) QD1 LEU 62 - HA ILE 16 poor 7 68 - 10 - 4671/3.6=2, 4583/3.0=2 Peak 4580 from cnoeabs.peaks (-0.18, 5.18, 59.05 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 80 + HA ILE 16 OK 83 100 - 83 - 6533=31, 6546/3.6=21...(21) QD2 LEU 21 + HA ILE 16 OK 64 99 - 65 - 4586/3.2=13, 4597/4.2=11...(21) Peak 4583 from cnoeabs.peaks (0.98, 1.86, 39.62 ppm; 3.45 A): 3 out of 6 assignments used, quality = 0.84: QG1 VAL 95 + HB ILE 16 OK 74 100 - 74 - 6894=20, 4599/3.2=17...(16) QB ALA 66 + HB ILE 16 OK 32 78 - 42 - 4599/3.2=8, 6894=7...(11) QG1 VAL 95 + HB ILE 37 OK 10 63 - 16 - 6894=4, 6913/2.1=2...(6) QD1 LEU 62 - HB ILE 16 lone 7 89 - 8 - 4599/3.2=2, 4671/4.4=1 QB ALA 66 - HB ILE 37 lone 3 42 - 8 - 6894=1 QD1 LEU 62 - HB ILE 37 lone 2 50 - 4 - Peak 4584 from cnoeabs.peaks (0.66, 1.86, 39.62 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.92: QG2 VAL 18 + HB ILE 16 OK 91 99 - 92 - 4592/3.0=32, 4598/3.2=29...(23) QG2 VAL 18 + HB ILE 37 OK 12 60 - 20 - 6492/6472=4, 4721=3...(6) Peak 4585 from cnoeabs.peaks (-0.19, 1.86, 39.62 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.92: QD1 ILE 80 + HB ILE 16 OK 77 92 - 84 - 6533/3.0=27, 6546/4.4=24...(17) QD2 LEU 21 + HB ILE 16 OK 67 99 - 67 - 4580/3.0=15, 4597/3.2=13...(18) QD1 ILE 80 - HB ILE 37 OK 24 52 - 47 - 2.1/6527=8, ~1934=8...(12) QD2 LEU 21 - HB ILE 37 OK 16 60 - 26 - 4819/2.1=2, ~4793=2...(13) Peak 4586 from cnoeabs.peaks (-0.17, 0.83, 18.73 ppm; 3.50 A): 3 out of 4 assignments used, quality = 0.86: QD1 ILE 80 + QG2 ILE 16 OK 67 99 - 67 - 6533/3.2=13, 6506/3.1=12...(21) QD2 LEU 21 + QG2 ILE 16 OK 49 93 - 53 - 2.1/1302=8, 4597/3.1=8...(16) QD1 ILE 80 + QG2 ILE 37 OK 18 55 - 34 - 3390=5, 6537/4.4=4...(12) QD2 LEU 21 - QG2 ILE 37 poor 9 48 - 19 - 4819=2, 2.1/4822=2...(4) Peak 4587 from cnoeabs.peaks (0.68, 0.83, 18.73 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.88: QG2 VAL 18 + QG2 ILE 16 OK 87 97 - 89 - 4598/3.1=35, 4723/3.2=23...(28) QG2 VAL 18 + QG2 ILE 37 OK 10 52 - 20 - 6492/6490=3, 4721/2.1=3...(4) Peak 4588 from cnoeabs.peaks (1.47, 0.83, 18.73 ppm; 3.60 A): 6 out of 16 assignments used, quality = 0.88: HG12 ILE 80 + QG2 ILE 16 OK 56 92 - 61 - 2.1/4586=16, ~6533=8...(16) QG2 THR 67 + QG2 ILE 16 OK 44 92 - 48 - 6059/4.4=11, 6091/3.2=8...(11) QB ALA 31 + QG2 ILE 16 OK 23 100 - 23 - 7073=4, 4601/3.1=3...(8) HB2 LYS 41 + QG2 ILE 16 OK 17 100 - 17 - 1.8/5462=3, 4.0/170=2...(6) HB ILE 51 + QG2 ILE 16 OK 15 97 - 15 - 4576/4.0=2, 4601/3.1=2...(5) HG12 ILE 80 + QG2 ILE 37 OK 12 47 - 25 - 2.1/4586=4, 4.8/957=3...(9) HB ILE 51 - QG2 ILE 37 poor 7 52 - 13 - ~5733=1, 5728/3.2=1...(5) HB2 LYS 41 - QG2 ILE 37 poor 7 56 - 12 - ~5274=2, ~7158=1 QB ALA 31 - QG2 ILE 37 poor 6 55 - 11 - 7073=1 HG3 LYS 94 - QG2 ILE 16 lone 6 68 - 9 - 4.9/6903=2, ~3875=1 QG2 THR 67 - QG2 ILE 37 poor 6 47 - 12 - 4.1/6113=2, 6092/3.2=1 HG2 LYS 44 - QG2 ILE 16 lone 6 100 - 5 - HG2 LYS 44 - QG2 ILE 37 lone 2 55 - 4 - HG2 LYS 86 - QG2 ILE 16 lone 1 63 - 2 - HG3 LYS 94 - QG2 ILE 37 lone 1 31 - 4 - HG2 LYS 86 - QG2 ILE 37 lone 1 28 - 2 - Peak 4589 from cnoeabs.peaks (1.60, 0.83, 18.73 ppm; 3.04 A): 2 out of 8 assignments used, quality = 0.68: QB ALA 76 + QG2 ILE 16 OK 62 100 - 63 - 6384=18, 2.1/7055=17...(15) QB ALA 76 + QG2 ILE 37 OK 16 56 - 28 - 6384=7, 6395/4.4=5...(8) HD3 LYS 41 - QG2 ILE 16 lone 6 68 - 8 - 3.8/5462=1, 3.8/4588=1 HD2 LYS 41 - QG2 ILE 16 lone 6 68 - 8 - 3.8/5462=1, 3.8/4588=1 HD2 LYS 63 - QG2 ILE 16 lone 5 99 - 5 - HD2 LYS 41 - QG2 ILE 37 poor 3 31 - 11 - ~2129=1, 3.0/5286=1 HD3 LYS 41 - QG2 ILE 37 poor 3 31 - 11 - ~2129=1, 3.0/5286=1 HD2 LYS 63 - QG2 ILE 37 lone 2 55 - 3 - Peak 4590 from cnoeabs.peaks (1.66, 0.83, 18.73 ppm; 2.88 A): 5 out of 36 assignments used, quality = 0.87: QB ALA 79 + QG2 ILE 16 OK 55 99 - 55 - 6493/3.1=14, 6490=10...(16) HB VAL 18 + QG2 ILE 16 OK 42 73 - 57 - 2.1/4587=17, ~4584=9...(13) QB ALA 79 + QG2 ILE 37 OK 36 54 - 67 - 6490=14, 6491/3.3=10...(22) HB2 MET 50 + QG2 ILE 16 OK 12 97 - 13 - 5663=2, 5662/3.2=1 HG12 ILE 40 + QG2 ILE 16 OK 12 81 - 14 - 2.1/2042=3, 4602/3.1=1...(4) HG12 ILE 27 - QG2 ILE 16 lone 9 100 - 9 - 4096/4.0=2 HB ILE 40 - QG2 ILE 16 poor 9 81 - 11 - 3.2/2042=2, 4602/3.1=1 HB2 MET 50 - QG2 ILE 37 poor 6 51 - 12 - 5662/3.2=2, 5663=1...(5) HD2 LYS 61 - QG2 ILE 37 poor 5 40 - 12 - 5272/3.3=1, 5270/3.2=1 HD3 LYS 61 - QG2 ILE 37 poor 5 40 - 12 - 5272/3.3=1, 5270/3.2=1 HG3 GLN 19 - QG2 ILE 16 lone 4 93 - 5 - 4.1/7058=2 HD2 LYS 94 - QG2 ILE 16 lone 4 90 - 4 - HD3 LYS 94 - QG2 ILE 16 lone 4 90 - 4 - HD3 LYS 63 - QG2 ILE 16 lone 4 83 - 4 - 1.8/4589=2 HB3 LYS 61 - QG2 ILE 37 lone 3 56 - 6 - HD2 LYS 44 - QG2 ILE 16 lone 3 83 - 3 - HD3 LYS 44 - QG2 ILE 16 lone 3 81 - 3 - HG12 ILE 40 - QG2 ILE 37 lone 3 39 - 7 - HB VAL 18 - QG2 ILE 37 lone 3 34 - 8 - 2.1/4587=2, ~4584=1 HB ILE 40 - QG2 ILE 37 lone 3 39 - 7 - HG12 ILE 27 - QG2 ILE 37 lone 2 56 - 4 - HD3 LYS 61 - QG2 ILE 16 lone 2 83 - 3 - HD2 LYS 61 - QG2 ILE 16 lone 2 83 - 3 - HB3 LYS 61 - QG2 ILE 16 lone 2 100 - 2 - HD3 LYS 94 - QG2 ILE 37 lone 2 45 - 5 - HD2 LYS 94 - QG2 ILE 37 lone 2 45 - 5 - HD2 LYS 44 - QG2 ILE 37 lone 2 40 - 5 - HD3 LYS 44 - QG2 ILE 37 lone 2 39 - 5 - HG3 ARG 57 - QG2 ILE 37 lone 2 41 - 4 - HD3 LYS 35 - QG2 ILE 37 lone 2 34 - 5 - 5266/4.0=1 HG2 ARG 57 - QG2 ILE 37 lone 2 39 - 4 - HD3 LYS 63 - QG2 ILE 37 lone 1 40 - 3 - HD3 LYS 35 - QG2 ILE 16 lone 1 73 - 1 - HG3 ARG 57 - QG2 ILE 16 lone 1 85 - 1 - HG2 ARG 57 - QG2 ILE 16 lone 1 81 - 1 - HG3 GLN 19 - QG2 ILE 37 lone 1 48 - 2 - Peak 4592 from cnoeabs.peaks (0.66, 1.22, 26.04 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.93: QG2 VAL 18 + HG13 ILE 16 OK 93 99 - 95 - 4723=42, 4598/2.1=34...(20) Peak 4593 from cnoeabs.peaks (0.00, 1.22, 26.04 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 68 + HG13 ILE 16 OK 97 100 - 98 - 4596/2.1=48, 4594/1.8=38...(19) Peak 4594 from cnoeabs.peaks (0.01, 1.29, 26.04 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.96: QG1 VAL 68 + HG12 ILE 16 OK 96 100 - 96 - 4596/2.1=48, 4593/1.8=38...(19) Peak 4595 from cnoeabs.peaks (0.68, 1.29, 26.04 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.94: QG2 VAL 18 + HG12 ILE 16 OK 94 100 - 95 - 4598/2.1=48, 4723/1.8=39...(15) Peak 4596 from cnoeabs.peaks (0.01, 0.26, 13.48 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.89: QG1 VAL 68 + QD1 ILE 16 OK 89 100 - 89 - 2.1/7057=32, 4593/2.1=21...(23) Peak 4597 from cnoeabs.peaks (-0.17, 0.26, 13.48 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 80 + QD1 ILE 16 OK 87 100 - 87 - 6506=32, 4586/3.1=18...(22) QD2 LEU 21 + QD1 ILE 16 OK 67 97 - 70 - 2.1/4600=15, 4586/3.1=14...(26) Peak 4598 from cnoeabs.peaks (0.68, 0.26, 13.48 ppm; 3.07 A): 1 out of 1 assignment used, quality = 0.79: QG2 VAL 18 + QD1 ILE 16 OK 79 97 - 81 - 4723/2.1=18, 4587/3.1=16...(27) Peak 4599 from cnoeabs.peaks (0.98, 0.26, 13.48 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.81: QG1 VAL 95 + QD1 ILE 16 OK 71 100 - 71 - 6910=26, 2.1/6909=14...(18) QB ALA 66 + QD1 ILE 16 OK 35 89 - 40 - 6910=9, 6902/2.1=5...(13) QD1 LEU 62 - QD1 ILE 16 lone 6 78 - 8 - 2.1/1320=1, 4583/3.2=1 QD1 ILE 27 - QD1 ILE 16 lone 6 60 - 10 - 2.1/4602=1, 4579/4.2=1 Peak 4600 from cnoeabs.peaks (1.11, 0.26, 13.48 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.84: QG2 VAL 95 + QD1 ILE 16 OK 73 89 - 82 - 6909=29, 2.1/4599=26...(23) HG LEU 21 + QD1 ILE 16 OK 42 95 - 45 - 2.1/4597=12, 7066/4598=7...(13) QG2 THR 46 - QD1 ILE 16 lone 3 93 - 3 - 4.0/4635=1 Peak 4601 from cnoeabs.peaks (1.46, 0.26, 13.48 ppm; 4.47 A): 4 out of 7 assignments used, quality = 0.94: HG12 ILE 80 + QD1 ILE 16 OK 70 97 - 73 - 2.1/6506=24, 3.8/6498=15...(16) QG2 THR 67 + QD1 ILE 16 OK 63 97 - 65 - ~4630=16, 6091/2.1=14...(16) QB ALA 31 + QD1 ILE 16 OK 31 100 - 31 - 5102/4596=12, 4588/3.1=4...(8) HB ILE 51 + QD1 ILE 16 OK 25 99 - 25 - 5750/4596=11, 4576/5.0=3...(6) HB2 LYS 41 - QD1 ILE 16 OK 14 99 - 14 - 4588/3.1=3, ~5462=3, 4576/5.0=2 HG2 LYS 44 - QD1 ILE 16 lone 8 98 - 8 - 1.8/4603=1, 4588/3.1=1 HG3 LYS 94 - QD1 ILE 16 lone 7 78 - 9 - 4588/3.1=1, 2.9/4602=1...(4) Peak 4602 from cnoeabs.peaks (1.67, 0.26, 13.48 ppm; 3.05 A): 4 out of 19 assignments used, quality = 0.87: QB ALA 79 + QD1 ILE 16 OK 70 100 - 70 - 6493=35, 2.1/6488=8...(21) HB VAL 18 + QD1 ILE 16 OK 43 60 - 71 - 2.1/4598=31, ~4592=12...(15) HG12 ILE 40 + QD1 ILE 16 OK 14 68 - 20 - 5452/4596=3, 4775/4779=3...(7) HB ILE 40 + QD1 ILE 16 OK 11 90 - 13 - 2.1/1320=3, ~5432=2...(4) HB2 MET 50 - QD1 ILE 16 poor 9 90 - 10 - 5662/2.1=2, 5663/3.1=2, ~5665=1 HG12 ILE 27 - QD1 ILE 16 lone 9 99 - 9 - 2.1/4599=2, 4096/5.0=1 HD2 LYS 94 - QD1 ILE 16 lone 5 97 - 5 - HD3 LYS 94 - QD1 ILE 16 lone 5 97 - 5 - HD3 LYS 63 - QD1 ILE 16 lone 4 92 - 4 - 1.8/4603=1 HD2 LYS 44 - QD1 ILE 16 lone 3 92 - 4 - HD3 LYS 44 - QD1 ILE 16 lone 3 90 - 4 - HD3 LYS 61 - QD1 ILE 16 lone 2 92 - 3 - HD2 LYS 61 - QD1 ILE 16 lone 2 92 - 3 - HG12 ILE 39 - QD1 ILE 16 lone 2 68 - 3 - 4.6/4648=1 HG3 GLN 19 - QD1 ILE 16 lone 2 85 - 3 - HB3 LYS 61 - QD1 ILE 16 lone 2 99 - 2 - HG3 ARG 57 - QD1 ILE 16 lone 2 93 - 2 - HG2 ARG 57 - QD1 ILE 16 lone 1 90 - 2 - HD3 LYS 35 - QD1 ILE 16 lone 1 85 - 1 - Peak 4603 from cnoeabs.peaks (1.58, 0.26, 13.48 ppm; 4.48 A): 2 out of 7 assignments used, quality = 0.76: QB ALA 76 + QD1 ILE 16 OK 72 87 - 83 - 2.1/4609=28, 6385=23...(17) HB3 PRO 49 + QD1 ILE 16 OK 13 85 - 15 - 5636/3.1=2, 5093/4601=1...(6) HD2 LYS 63 - QD1 ILE 16 lone 8 96 - 8 - 4589/3.1=2, 1.8/4602=1 HG3 LYS 77 - QD1 ILE 16 lone 5 95 - 5 - 6507/6506=2 HG2 LYS 77 - QD1 ILE 16 lone 5 93 - 5 - 6507/6506=2 HG3 LYS 44 - QD1 ILE 16 lone 4 63 - 6 - 1.8/4601=2 HB3 GLU 87 - QD1 ILE 16 lone 2 76 - 3 - Peak 4608 from cnoeabs.peaks (3.42, 0.26, 13.48 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.99: HB2 PHE 34 + QD1 ILE 16 OK 76 100 - 76 - 2.4/4635=22, 4.4/4632=21...(19) HA ILE 80 + QD1 ILE 16 OK 75 100 - 75 - 6498=27, 4.2/6506=18...(20) HB2 PHE 70 + QD1 ILE 16 OK 65 83 - 79 - 2.5/4634=36, 5.8/4779=21...(14) HB2 PHE 83 + QD1 ILE 16 OK 54 95 - 58 - 2.4/4636=16, 4.4/4838=12...(17) Peak 4609 from cnoeabs.peaks (3.60, 0.26, 13.48 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.90: HA ALA 76 + QD1 ILE 16 OK 89 100 - 89 - 6383=31, 7055/3.1=29...(15) HA2 GLY 90 + QD1 ILE 16 OK 11 99 - 10 - 7055/3.1=2, 4466/6493=2 Peak 4610 from cnoeabs.peaks (4.26, 0.26, 13.48 ppm; 5.00 A): 2 out of 8 assignments used, quality = 0.98: HA ALA 79 + QD1 ILE 16 OK 88 99 - 89 - 6488=36, 2.1/6493=35...(22) HA VAL 68 + QD1 ILE 16 OK 86 90 - 95 - 3.2/4596=42, 3.0/7057=36...(18) HA3 GLY 85 - QD1 ILE 16 OK 32 100 - 32 - 6644/4.2=10, 6654/3.2=7...(8) HA GLU 58 - QD1 ILE 16 OK 20 100 - 20 - ~5900=7, ~5899=6, ~5901=6 HA3 GLY 64 - QD1 ILE 16 poor 9 78 - 12 - 5997/4597=2, 6656/4600=1...(4) HA LYS 63 - QD1 ILE 16 lone 8 98 - 8 - 5.0/4603=2, ~286=1 HD2 PRO 73 - QD1 ILE 16 lone 4 95 - 4 - 6328/7032=1 HA LYS 45 - QD1 ILE 16 lone 4 87 - 4 - 3.6/4635=2 Peak 4611 from cnoeabs.peaks (4.97, 0.26, 13.48 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.96: HA VAL 18 + QD1 ILE 16 OK 87 97 - 90 - 3.2/4598=45, ~4592=23...(15) HA VAL 95 + QD1 ILE 16 OK 73 99 - 74 - 3.2/4599=27, 3.2/6909=26...(11) HA ASN 24 - QD1 ILE 16 poor 8 76 - 10 - 3.6/4632=7 Peak 4615 from cnoeabs.peaks (4.77, 5.18, 59.05 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.68: HA PHE 97 + HA ILE 16 OK 61 100 - 61 - 3.6/6996=19, 7137/3.6=19...(9) HA GLN 19 + HA ILE 16 OK 19 99 - 19 - 7058/3.2=4, 2.9/4740=4...(6) HA TYR 54 - HA ILE 16 lone 8 100 - 8 - 4655/3.6=3, 7058/3.2=2 Peak 4616 from cnoeabs.peaks (5.54, 5.18, 59.05 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.99: HA THR 15 + HA ILE 16 OK 99 100 - 99 - 4.9=95, 22/3.0=45...(17) HA GLU 65 - HA ILE 16 OK 12 65 - 19 - 4622/3.2=5, 22/3.0=3...(6) Peak 4618 from cnoeabs.peaks (7.33, 5.18, 59.05 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.75: QD PHE 97 + HA ILE 16 OK 65 100 - 65 - 3.7/4615=24, 4.9/6996=20...(10) H GLY 38 + HA ILE 16 OK 28 100 - 28 - 152/3.0=7, 153/3.2=7...(8) HZ2 TRP 82 - HA ILE 16 lone 7 100 - 7 - 463/6996=1, 6537/6533=1 HD21 ASN 91 - HA ILE 16 lone 3 73 - 3 - Peak 4622 from cnoeabs.peaks (5.53, 0.83, 18.73 ppm; 5.08 A): 3 out of 4 assignments used, quality = 0.91: HA THR 15 + QG2 ILE 16 OK 87 100 - 87 - 22/4.0=40, 4616/3.2=31...(21) HA GLU 65 + QG2 ILE 16 OK 23 78 - 29 - 3.6/5320=6, 3.0/6003=4...(8) HA THR 15 + QG2 ILE 37 OK 13 56 - 23 - 4564=4, 3.6/620=4...(9) HA GLU 65 - QG2 ILE 37 lone 3 37 - 8 - 3.0/6003=1, 6000=1 Peak 4623 from cnoeabs.peaks (6.85, 0.83, 18.73 ppm; 3.94 A): 5 out of 8 assignments used, quality = 0.80: HZ PHE 70 + QG2 ILE 16 OK 47 65 - 72 - 4779/3.1=16, 3.8/4625=16...(22) QE PHE 34 + QG2 ILE 16 OK 36 60 - 59 - 4632/3.1=21, ~4635=8...(15) H VAL 25 + QG2 ILE 16 OK 19 99 - 19 - 4632/3.1=5, 674=3...(6) QE TYR 54 + QG2 ILE 16 OK 14 100 - 14 - 4632/3.1=4, 6068/4588=2 HZ PHE 70 + QG2 ILE 37 OK 14 30 - 47 - 5308/3.3=10, 7160/2.1=7...(14) QE PHE 34 - QG2 ILE 37 poor 8 27 - 31 - ~5311=6, 2.2/7203=5...(8) H VAL 25 - QG2 ILE 37 lone 5 53 - 10 - 5308/3.3=2, 7160/2.1=2 QE TYR 54 - QG2 ILE 37 lone 4 56 - 7 - 7160/2.1=1, 5308/3.3=1 Peak 4624 from cnoeabs.peaks (6.97, 0.83, 18.73 ppm; 3.25 A): 5 out of 16 assignments used, quality = 0.94: QE PHE 70 + QG2 ILE 16 OK 68 100 - 69 - 2.2/4625=16, 4720/3.1=12...(19) QE PHE 83 + QG2 ILE 16 OK 45 97 - 47 - 2.2/4627=7, 4838/3.1=7...(15) QE PHE 83 + QG2 ILE 37 OK 34 51 - 67 - 5307/3.3=7, 4803/2.1=6...(25) HZ PHE 88 + QG2 ILE 16 OK 30 99 - 31 - 4852=6, 4633/3.1=3...(13) HZ PHE 83 + QG2 ILE 16 OK 28 71 - 39 - 3.8/4627=5, ~4838=4...(14) QE PHE 70 - QG2 ILE 37 OK 23 55 - 42 - ~5308=6, 2.2/4625=5...(12) HZ PHE 88 - QG2 ILE 37 OK 22 54 - 40 - 4852=8, 5307/3.3=4...(12) QE PHE 88 - QG2 ILE 16 OK 16 73 - 22 - 2.2/4852=4, 4720/3.1=3...(8) HZ PHE 83 - QG2 ILE 37 OK 14 33 - 42 - 4808/2.1=5, 4836=4...(14) HE22 GLN 48 - QG2 ILE 37 poor 10 55 - 18 - 5307/3.3=2, 5294/4.0=2...(11) HE22 GLN 48 - QG2 ILE 16 lone 9 99 - 9 - 1.7/4627=1, 4633/3.1=1 QE PHE 88 - QG2 ILE 37 poor 8 34 - 22 - 2.2/4852=5, ~5299=2...(8) HD21 ASN 52 - QG2 ILE 16 lone 4 95 - 4 - HD21 ASN 52 - QG2 ILE 37 lone 3 49 - 7 - 5294/4.0=1 HD21 ASN 24 - QG2 ILE 16 lone 2 78 - 2 - HD21 ASN 24 - QG2 ILE 37 lone 2 37 - 4 - Peak 4625 from cnoeabs.peaks (7.05, 0.83, 18.73 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.84: QD PHE 70 + QG2 ILE 16 OK 77 100 - 78 - 4634/3.1=18, 4614/4.0=13...(26) QD PHE 70 + QG2 ILE 37 OK 23 56 - 41 - 5329/4.4=9, 3.8/4777=4...(18) HZ PHE 17 + QG2 ILE 16 OK 10 85 - 12 - 8.2/4049=4, ~4786=2, 7.2/4669=1 HZ3 TRP 82 - QG2 ILE 37 poor 8 45 - 18 - ~5309=7, 6.6/4728=3...(6) HZ3 TRP 82 - QG2 ILE 16 lone 6 90 - 7 - HD22 ASN 91 - QG2 ILE 16 lone 3 81 - 3 - HZ PHE 17 - QG2 ILE 37 lone 3 41 - 6 - 5329/4.4=2 HD22 ASN 91 - QG2 ILE 37 lone 2 39 - 5 - 5329/4.4=2 Peak 4627 from cnoeabs.peaks (7.57, 0.83, 18.73 ppm; 3.76 A): 4 out of 6 assignments used, quality = 0.91: QD PHE 83 + QG2 ILE 16 OK 57 99 - 58 - 4636/3.1=8, 4738=6...(23) H ILE 80 + QG2 ILE 16 OK 55 99 - 55 - 6497/3.1=9, 4.6/4586=9...(16) QD PHE 83 + QG2 ILE 37 OK 35 53 - 67 - 4739/3.3=12, 5305/3.2=9...(20) H ILE 80 + QG2 ILE 37 OK 31 55 - 57 - 959/3.3=11, 957=9...(18) HE21 GLN 48 - QG2 ILE 16 poor 10 90 - 10 - 1.7/4624=1, 4636/3.1=1 HE21 GLN 48 - QG2 ILE 37 poor 10 45 - 21 - 5310/3.3=4, 5305/3.2=3...(9) Peak 4628 from cnoeabs.peaks (6.99, 1.29, 26.04 ppm; 4.47 A): 3 out of 8 assignments used, quality = 0.95: QE PHE 70 + HG12 ILE 16 OK 76 85 - 89 - ~4779=29, ~4634=24...(19) QE PHE 83 + HG12 ILE 16 OK 65 100 - 65 - 4838/2.1=17, 4631/1.8=12...(17) HZ PHE 88 + HG12 ILE 16 OK 40 99 - 41 - 4631/1.8=7, 4633/2.1=5...(15) QE PHE 17 - HG12 ILE 16 OK 15 65 - 22 - 6.5/29=8, 4.4/4675=3...(8) HE22 GLN 48 - HG12 ILE 16 OK 14 99 - 13 - 4631/1.8=3, 4633/2.1=2...(6) HD21 ASN 52 - HG12 ILE 16 lone 7 100 - 7 - 4631/1.8=1, 4613/4.6=1 HD21 ASN 24 - HG12 ILE 16 lone 4 99 - 4 - HE22 GLN 19 - HG12 ILE 16 lone 2 78 - 2 - Peak 4630 from cnoeabs.peaks (5.73, 1.22, 26.04 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.69: HA THR 67 + HG13 ILE 16 OK 69 87 - 80 - 4612/4.6=25, 3.6/4645=22...(13) Peak 4631 from cnoeabs.peaks (6.99, 1.22, 26.04 ppm; 4.25 A): 3 out of 8 assignments used, quality = 0.94: QE PHE 70 + HG13 ILE 16 OK 75 85 - 88 - ~4779=27, 2.2/7175=23...(21) QE PHE 83 + HG13 ILE 16 OK 62 100 - 62 - 4838/2.1=16, 4628/1.8=10...(20) HZ PHE 88 + HG13 ILE 16 OK 37 99 - 38 - 4628/1.8=6, 4633/2.1=5...(16) HE22 GLN 48 - HG13 ILE 16 OK 13 99 - 13 - 4628/1.8=2, 4633/2.1=2...(5) QE PHE 17 - HG13 ILE 16 OK 12 65 - 18 - 6.5/30=11, 4628/1.8=2...(5) HD21 ASN 52 - HG13 ILE 16 lone 7 100 - 7 - 4628/1.8=1, 4613/4.6=1 HD21 ASN 24 - HG13 ILE 16 lone 4 99 - 4 - HE22 GLN 19 - HG13 ILE 16 lone 2 78 - 2 - Peak 4632 from cnoeabs.peaks (6.86, 0.26, 13.48 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.64: QE PHE 34 + QD1 ILE 16 OK 54 83 - 65 - 2.2/4635=15, 2.2/4831=14...(18) H VAL 25 + QD1 ILE 16 OK 14 89 - 15 - 4623/3.1=3, 4891/2.1=2...(6) QE TYR 54 + QD1 ILE 16 OK 11 97 - 11 - 4623/3.1=2, 6465/6493=2...(4) Peak 4633 from cnoeabs.peaks (6.97, 0.26, 13.48 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.95: QE PHE 70 + QD1 ILE 16 OK 81 100 - 81 - 2.2/4779=29, 2.2/4634=20...(24) QE PHE 83 + QD1 ILE 16 OK 51 97 - 53 - 4838=11, 2.2/4636=8...(20) HZ PHE 83 + QD1 ILE 16 OK 30 71 - 42 - 2.2/4838=10, 3.8/4636=6...(16) HZ PHE 88 + QD1 ILE 16 OK 30 99 - 30 - 2.2/4720=4, 4631/2.1=3...(12) QE PHE 88 - QD1 ILE 16 OK 17 73 - 24 - 4720=5, ~4631=2, ~4628=2...(10) HE22 GLN 48 - QD1 ILE 16 OK 11 99 - 10 - 4631/2.1=1, 1.7/4636=1 HD21 ASN 52 - QD1 ILE 16 lone 5 95 - 5 - HD21 ASN 24 - QD1 ILE 16 lone 2 78 - 3 - Peak 4634 from cnoeabs.peaks (7.07, 0.26, 13.48 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.83: QD PHE 70 + QD1 ILE 16 OK 83 92 - 91 - 3.8/4779=31, 7175/2.1=25...(26) HZ3 TRP 82 - QD1 ILE 16 lone 4 60 - 7 - 4625/3.1=2, 7175/2.1=1 Peak 4635 from cnoeabs.peaks (7.43, 0.26, 13.48 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.92: QD PHE 34 + QD1 ILE 16 OK 79 100 - 79 - 2.2/4632=28, 4684=16...(21) H ALA 76 + QD1 ILE 16 OK 60 92 - 65 - 3.0/4609=21, 2.9/4603=18...(13) H THR 46 - QD1 ILE 16 lone 7 99 - 6 - 6162/4596=1 Peak 4636 from cnoeabs.peaks (7.55, 0.26, 13.48 ppm; 4.62 A): 4 out of 4 assignments used, quality = 0.94: QD PHE 83 + QD1 ILE 16 OK 73 100 - 74 - 2.2/4838=18, 4627/3.1=10...(30) H ILE 80 + QD1 ILE 16 OK 71 85 - 84 - 3.7/6493=28, 3.6/6488=19...(19) H TYR 33 + QD1 ILE 16 OK 12 76 - 15 - 4676/4635=5, 4678/4632=3 HE21 GLN 48 + QD1 ILE 16 OK 10 60 - 17 - 1.7/4633=2, ~4631=2...(5) Peak 4639 from cnoeabs.peaks (8.47, 5.18, 59.05 ppm; 3.67 A): 3 out of 9 assignments used, quality = 0.94: H ALA 98 + HA ILE 16 OK 83 100 - 84 - 6996=36, 6983/3.6=22...(14) H THR 15 + HA ILE 16 OK 47 83 - 57 - 3.0/4616=17, ~22=11...(14) H LEU 21 + HA ILE 16 OK 32 99 - 33 - 4.7/4580=6, 4.0/4578=4...(12) H PHE 83 - HA ILE 16 OK 14 100 - 15 - 6609/3.2=3, 6608/4579=2...(5) H THR 42 - HA ILE 16 OK 11 100 - 11 - 1094/3.0=3, 4649/3.6=1...(5) H ILE 93 - HA ILE 16 lone 6 85 - 7 - H ASP 71 - HA ILE 16 lone 6 71 - 9 - 21/3.0=2, 6257/4.1=2...(4) H ASP 72 - HA ILE 16 lone 6 100 - 6 - 4649/3.6=2 H TRP 82 - HA ILE 16 lone 5 87 - 6 - 4649/3.6=2, 6577/3.2=1 Peak 4640 from cnoeabs.peaks (8.94, 1.86, 39.62 ppm; 4.39 A): 3 out of 10 assignments used, quality = 0.94: H SER 96 + HB ILE 16 OK 70 97 - 73 - 6931/4.4=26, 6941=20...(9) H VAL 18 + HB ILE 16 OK 63 100 - 63 - 3.9/4584=24, 4.6/4048=23...(10) H ALA 66 + HB ILE 16 OK 43 85 - 51 - 2.9/4583=10, 5884=7...(14) H PHE 70 - HB ILE 16 OK 21 76 - 28 - 6216/4.0=13, 6233/2.1=5...(7) H ASP 56 - HB ILE 16 OK 14 100 - 14 - 5884=3, 5887/2.1=2...(5) H SER 96 - HB ILE 37 OK 10 57 - 17 - 6941=4, 6943/2.1=3...(7) H VAL 18 - HB ILE 37 poor 7 62 - 12 - 3.9/4584=3, 4.6/27=3...(5) H PHE 70 - HB ILE 37 poor 5 40 - 12 - 6233/2.1=3, 6222/3.0=3...(4) H ASP 56 - HB ILE 37 lone 4 62 - 6 - 5884=1, 4.0/6682=1, 5887/2.1=1 H ALA 66 - HB ILE 37 lone 4 47 - 8 - 6032/2.1=1, 5884=1, 2.9/4583=1 Peak 4641 from cnoeabs.peaks (8.48, 1.86, 39.62 ppm; 4.89 A): 3 out of 18 assignments used, quality = 0.94: H ALA 98 + HB ILE 16 OK 85 100 - 85 - 6996/3.0=37, 6983/4.4=31...(11) H THR 15 + HB ILE 16 OK 45 73 - 61 - ~4616=17, ~4622=15...(10) H LEU 21 + HB ILE 16 OK 31 97 - 32 - 4.7/4585=8, 4639/3.0=7...(8) H ALA 98 - HB ILE 37 OK 29 62 - 47 - 7010=11, 1135/3.9=9...(11) H PHE 83 - HB ILE 16 OK 27 100 - 27 - 6609/2.1=6, 6608/4583=5...(7) H TRP 82 - HB ILE 37 OK 21 54 - 40 - 6578/3.2=18, ~6580=13...(5) H PHE 83 - HB ILE 37 OK 19 63 - 31 - 5324/3.2=11, 6609/2.1=7...(5) H THR 42 - HB ILE 16 OK 16 99 - 16 - 1094/4.0=4, 177/3.0=3...(5) H ASP 72 - HB ILE 16 OK 12 100 - 12 - 4649/4.4=2, 4.6/6254=2...(4) H TRP 82 - HB ILE 16 OK 11 93 - 12 - 6577/2.1=3, 4649/4.4=2...(5) H ASP 71 - HB ILE 16 OK 11 60 - 18 - 6257/3.0=4, 21/4.0=3...(7) H LEU 21 - HB ILE 37 poor 8 57 - 14 - 4813/2.1=3, 4.7/4585=2...(6) H ASP 72 - HB ILE 37 poor 7 63 - 11 - 5324/3.2=3, 5319/2.1=2 H THR 42 - HB ILE 37 poor 7 60 - 11 - 177/3.0=3, 5324/3.2=2...(4) H ILE 93 - HB ILE 16 lone 6 76 - 7 - 4639/3.0=1 H THR 15 - HB ILE 37 poor 5 39 - 14 - 4540/4.4=5, ~4622=2...(5) H ASP 71 - HB ILE 37 lone 3 31 - 9 - 6257/3.0=2, ~6263=2...(4) H ILE 93 - HB ILE 37 lone 2 40 - 4 - Peak 4642 from cnoeabs.peaks (8.10, 1.86, 39.62 ppm; 4.98 A): 4 out of 10 assignments used, quality = 0.96: H ALA 79 + HB ILE 16 OK 71 90 - 79 - 6482/3.2=20, ~6488=18...(18) H VAL 68 + HB ILE 16 OK 59 85 - 69 - 4637/4.0=23, 4645/3.0=16...(11) H ALA 79 + HB ILE 37 OK 48 51 - 95 - 6481/3.2=21, 6479/3.0=18...(24) H ILE 39 + HB ILE 16 OK 32 97 - 33 - 757/3.0=7, 4.6/152=6...(9) H ILE 39 - HB ILE 37 OK 30 57 - 52 - 157/4.4=23, 3.6/5345=10...(7) H VAL 68 - HB ILE 37 OK 21 47 - 44 - 908/3.0=8, 6112/3.0=8...(11) H GLU 23 - HB ILE 16 OK 16 97 - 16 - 4859/2.1=3, 4648/3.2=3...(7) H ASN 13 - HB ILE 16 OK 15 96 - 15 - 4637/4.0=4, 4644/3.0=3...(4) H GLU 23 - HB ILE 37 OK 11 58 - 19 - 1090/4.4=4, 5322/3.0=3...(6) H ASN 13 - HB ILE 37 lone 2 56 - 4 - 1090/4.4=2 Peak 4643 from cnoeabs.peaks (8.48, 0.83, 18.73 ppm; 4.27 A): 4 out of 18 assignments used, quality = 0.97: H ALA 98 + QG2 ILE 16 OK 83 100 - 83 - 6996/3.2=30, 6983/4.4=24...(13) H LEU 21 + QG2 ILE 16 OK 45 97 - 46 - 4.7/4586=8, 4813=6...(16) H THR 15 + QG2 ILE 16 OK 41 73 - 56 - 3.0/4622=17, 4.6/1296=14...(10) H PHE 83 + QG2 ILE 16 OK 38 100 - 38 - 4.4/4627=7, 6609=5...(16) H PHE 83 - QG2 ILE 37 OK 25 56 - 45 - 5324/3.3=9, 6609=6...(13) H TRP 82 - QG2 ILE 37 OK 25 48 - 52 - 6578/3.3=14, ~6580=9...(15) H ALA 98 - QG2 ILE 37 OK 24 55 - 44 - 7017=9, 7010/2.1=7...(12) H THR 42 - QG2 ILE 16 OK 24 99 - 24 - 1094/4.0=3, 4.6/170=3...(9) H TRP 82 - QG2 ILE 16 OK 22 93 - 24 - 4.6/6609=3, 6577=2...(11) H ASP 71 - QG2 ILE 16 OK 21 60 - 36 - 4.4/4625=16, 4.3/7056=4...(9) H ASP 72 - QG2 ILE 16 OK 15 100 - 15 - 6300/4625=4, 4649/4.4=2 H LEU 21 - QG2 ILE 37 poor 9 51 - 18 - 4813=3, 4.7/4586=2...(6) H ILE 93 - QG2 ILE 16 lone 8 76 - 10 - 4639/3.2=1 H THR 42 - QG2 ILE 37 poor 7 53 - 13 - 177/3.2=2, 5324/3.3=2 H ASP 72 - QG2 ILE 37 poor 7 56 - 12 - 5324/3.3=2, 6300/4625=1 H THR 15 - QG2 ILE 37 poor 5 34 - 13 - 4540/4.4=4, 3.0/4622=3 H ASP 71 - QG2 ILE 37 poor 4 27 - 15 - 4.4/4625=5, 4.6/6233=2...(5) H ILE 93 - QG2 ILE 37 lone 2 36 - 4 - Peak 4644 from cnoeabs.peaks (8.09, 1.29, 26.04 ppm; 4.70 A): 3 out of 6 assignments used, quality = 0.89: H VAL 68 + HG12 ILE 16 OK 83 100 - 83 - 4.0/4594=25, 4645/1.8=24...(14) H ILE 39 + HG12 ILE 16 OK 23 63 - 36 - 3.6/5342=7, 3.6/5348=6...(10) H ASN 13 + HG12 ILE 16 OK 18 100 - 18 - 4645/1.8=4, 4637/4.6=3...(7) H GLU 23 - HG12 ILE 16 poor 8 65 - 12 - 4648/2.1=3, 4645/1.8=2...(5) H THR 59 - HG12 ILE 16 poor 8 73 - 11 - 4645/1.8=7, 4637/4.6=1 H SER 75 - HG12 ILE 16 poor 7 63 - 10 - ~5288=2, 4645/1.8=2...(4) Peak 4645 from cnoeabs.peaks (8.09, 1.22, 26.04 ppm; 4.41 A): 4 out of 6 assignments used, quality = 0.91: H VAL 68 + HG13 ILE 16 OK 84 100 - 84 - 4.0/6120=23, 4.0/4593=22...(12) H THR 59 + HG13 ILE 16 OK 26 73 - 35 - 4.6/5900=6, 4.6/5899=6...(9) H ASN 13 + HG13 ILE 16 OK 13 100 - 13 - 4644/1.8=4, 4637/4.6=3...(5) H ILE 39 + HG13 ILE 16 OK 13 63 - 20 - 4644/1.8=5, 4648/2.1=4...(6) H GLU 23 - HG13 ILE 16 poor 9 65 - 13 - 4648/2.1=2, 4644/1.8=2...(5) H SER 75 - HG13 ILE 16 poor 7 63 - 12 - 6348/7175=3, ~5288=2...(5) Peak 4646 from cnoeabs.peaks (8.93, 0.26, 13.48 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.99: H VAL 18 + QD1 ILE 16 OK 84 100 - 84 - 3.9/4598=39, 4.6/4052=24...(19) H SER 96 + QD1 ILE 16 OK 83 99 - 84 - 4.2/4599=22, 4.2/6909=21...(18) H ALA 66 + QD1 ILE 16 OK 51 93 - 55 - 2.9/4599=14...(15) H PHE 70 - QD1 ILE 16 OK 38 63 - 60 - 4.6/4634=25, 6216/5.0=10...(10) H ASP 56 - QD1 ILE 16 OK 15 99 - 14 - 5884/3.2=2, 5887/3.1=2...(5) Peak 4648 from cnoeabs.peaks (8.10, 0.26, 13.48 ppm; 4.44 A): 3 out of 5 assignments used, quality = 0.94: H VAL 68 + QD1 ILE 16 OK 76 92 - 83 - 4.0/4596=30, 4.0/7057=27...(14) H ALA 79 + QD1 ILE 16 OK 66 83 - 79 - 2.9/6493=30, 3.0/6488=20...(21) H ILE 39 + QD1 ILE 16 OK 24 92 - 26 - 757/2.1=6, 5376/4634=6...(8) H GLU 23 - QD1 ILE 16 OK 15 93 - 15 - 4859/3.1=2, 4645/2.1=2...(7) H ASN 13 - QD1 ILE 16 OK 14 99 - 14 - 4644/2.1=4, 4645/2.1=3...(6) Peak 4650 from cnoeabs.peaks (8.08, 5.41, 55.05 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.89: H VAL 68 + HA PHE 17 OK 85 100 - 86 - 6144=39, 3.6/4657=35...(10) H SER 75 + HA PHE 17 OK 16 76 - 21 - 6356/3.0=5, 3.9/4663=4...(6) H ASN 13 + HA PHE 17 OK 13 97 - 14 - 4684/3.6=4, 6988/7002=2...(6) H THR 59 - HA PHE 17 lone 5 85 - 6 - 4684/3.6=1 Peak 4652 from cnoeabs.peaks (7.82, 2.82, 41.62 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.77: H THR 99 + HB2 PHE 17 OK 74 100 - 75 - 4653/1.8=32, 7019=31...(5) H ILE 37 + HB2 PHE 17 OK 11 100 - 11 - 4653/1.8=6, 4405/4675=2 Peak 4653 from cnoeabs.peaks (7.81, 2.71, 41.62 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.79: H THR 99 + HB3 PHE 17 OK 76 99 - 76 - 4652/1.8=34, 3.6/4677=26...(6) H ILE 37 + HB3 PHE 17 OK 13 99 - 13 - 4652/1.8=5, 4405/4677=2...(4) Peak 4657 from cnoeabs.peaks (5.75, 5.41, 55.05 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.88: HA THR 67 + HA PHE 17 OK 88 100 - 88 - 6075=41, 3.2/6081=22...(19) Peak 4659 from cnoeabs.peaks (4.37, 5.41, 55.05 ppm; 4.89 A): 2 out of 8 assignments used, quality = 0.97: HA ALA 98 + HA PHE 17 OK 95 99 - 96 - 2.1/7002=32, 6984/2.9=31...(15) HA TRP 82 + HA PHE 17 OK 42 100 - 43 - 6579/3.0=25, 4661/3.0=7...(8) HA LYS 61 - HA PHE 17 OK 18 96 - 18 - 3.0/4664=3, 4661/3.0=3...(7) HA LEU 62 - HA PHE 17 OK 14 100 - 14 - 4656/2.9=3, 5940/3.6=2...(6) HA THR 42 - HA PHE 17 poor 10 90 - 10 - 4656/2.9=2, ~4649=2...(5) HA SER 29 - HA PHE 17 lone 4 83 - 4 - HA SER 11 - HA PHE 17 lone 3 99 - 3 - HB THR 46 - HA PHE 17 lone 2 63 - 2 - Peak 4660 from cnoeabs.peaks (4.11, 5.41, 55.05 ppm; 4.97 A): 2 out of 9 assignments used, quality = 0.98: HB THR 67 + HA PHE 17 OK 95 99 - 97 - 3.0/4657=45, 2.1/6081=40...(17) HB2 SER 96 + HA PHE 17 OK 54 100 - 54 - 6932/2.9=32, 6934/3.7=15...(5) HA THR 99 - HA PHE 17 OK 30 60 - 50 - ~4652=16, ~4653=16...(6) HB THR 15 - HA PHE 17 OK 27 81 - 34 - 2.1/4550=26, 4568/7002=5 HA3 GLY 22 - HA PHE 17 lone 4 100 - 4 - HA ILE 39 - HA PHE 17 lone 4 81 - 5 - 3.8/4666=1, 3.0/4663=1 HA GLN 36 - HA PHE 17 lone 4 85 - 5 - 5247/4666=1 HA3 GLY 38 - HA PHE 17 lone 3 63 - 5 - HA GLU 23 - HA PHE 17 lone 2 100 - 2 - Peak 4661 from cnoeabs.peaks (4.37, 2.82, 41.62 ppm; 3.85 A): 3 out of 9 assignments used, quality = 0.95: HA ALA 98 + HB2 PHE 17 OK 90 100 - 90 - 7005=31, 7006/1.8=23...(14) HA TRP 82 + HB2 PHE 17 OK 31 99 - 32 - 6579/1.8=20, 4659/3.0=4...(6) HA PRO 73 + HB2 PHE 17 OK 26 63 - 42 - 2.5/6334=8, 2.5/6336=6...(10) HA LYS 61 - HB2 PHE 17 OK 12 90 - 13 - 4662/1.8=2, 4659/3.0=2...(4) HA LEU 62 - HB2 PHE 17 lone 8 100 - 8 - 4662/1.8=2, 4659/3.0=2...(4) HA THR 42 - HB2 PHE 17 lone 5 96 - 5 - 4662/1.8=1, 4659/3.0=1 HA SER 29 - HB2 PHE 17 lone 2 90 - 2 - HA SER 11 - HB2 PHE 17 lone 2 97 - 2 - HB THR 46 - HB2 PHE 17 lone 1 73 - 1 - Peak 4662 from cnoeabs.peaks (4.37, 2.71, 41.62 ppm; 3.69 A): 3 out of 9 assignments used, quality = 0.94: HA ALA 98 + HB3 PHE 17 OK 88 100 - 88 - 7006=29, 2.1/4677=22...(14) HA TRP 82 + HB3 PHE 17 OK 26 99 - 27 - 6579=10, 4661/1.8=6...(7) HA PRO 73 + HB3 PHE 17 OK 25 63 - 41 - 2.5/6335=9, 2.5/6337=7...(10) HA LYS 61 - HB3 PHE 17 poor 10 90 - 11 - 4661/1.8=2, 4659/3.0=2...(4) HA LEU 62 - HB3 PHE 17 lone 7 100 - 7 - 4661/1.8=2, 4659/3.0=1 HA THR 42 - HB3 PHE 17 lone 5 96 - 5 - 4661/1.8=1 HA SER 29 - HB3 PHE 17 lone 2 90 - 2 - HA SER 11 - HB3 PHE 17 lone 2 97 - 2 - HB THR 46 - HB3 PHE 17 lone 1 73 - 1 - Peak 4663 from cnoeabs.peaks (1.83, 5.41, 55.05 ppm; 5.16 A): 4 out of 12 assignments used, quality = 0.93: HB ILE 16 + HA PHE 17 OK 69 73 - 94 - 4048/2.9=28, ~4047=26...(21) HB2 PRO 74 + HA PHE 17 OK 48 100 - 48 - 3.0/6342=8, ~7123=7...(11) HB3 GLU 65 + HA PHE 17 OK 45 97 - 47 - 4.4/6051=25, 6010/5.6=10...(5) HB2 LYS 61 + HA PHE 17 OK 22 100 - 21 - 1.8/4664=4, 3.0/4659=3...(10) HB ILE 37 - HA PHE 17 OK 20 81 - 25 - 3.0/4667=5, 27/2.9=4...(8) HB2 LYS 94 - HA PHE 17 OK 14 96 - 15 - ~26=3, 4721/4670=3...(5) HB ILE 39 - HA PHE 17 lone 9 96 - 9 - 2.9/4666=2, 6265/6277=1 HG LEU 62 - HA PHE 17 poor 9 76 - 11 - 3.7/4659=3, ~4671=2...(4) HB2 LYS 44 - HA PHE 17 lone 3 68 - 5 - HB2 GLN 48 - HA PHE 17 lone 3 63 - 5 - 5612/4668=2 HB3 LYS 44 - HA PHE 17 lone 3 60 - 5 - HB ILE 93 - HA PHE 17 lone 3 68 - 4 - 304/6051=1 Peak 4664 from cnoeabs.peaks (1.63, 5.41, 55.05 ppm; 4.43 A): 3 out of 8 assignments used, quality = 0.89: HB VAL 18 + HA PHE 17 OK 83 99 - 84 - 2.1/4670=41, 3.9/33=35...(13) HG3 GLN 19 + HA PHE 17 OK 28 90 - 32 - 4744/3.7=18, 634/3.6=7...(5) HB3 LYS 61 + HA PHE 17 OK 12 65 - 18 - 4792/3.7=3, 3.0/4659=3...(9) HG12 ILE 27 - HA PHE 17 poor 8 65 - 12 - 1.8/4667=4, 2.1/4668=3...(4) HG12 ILE 40 - HA PHE 17 lone 8 98 - 8 - 634/3.6=2, 4790/7.2=1 HD3 LYS 41 - HA PHE 17 lone 7 100 - 6 - 3.8/4665=1, 3.8/4667=1 HD2 LYS 41 - HA PHE 17 lone 7 100 - 6 - 3.8/4665=1, 3.8/4667=1 HB2 MET 50 - HA PHE 17 lone 4 85 - 5 - Peak 4665 from cnoeabs.peaks (1.45, 5.41, 55.05 ppm; 3.53 A): 2 out of 12 assignments used, quality = 0.92: QG2 THR 67 + HA PHE 17 OK 89 100 - 89 - 6081=41, 3.2/4657=26...(17) HG12 ILE 80 + HA PHE 17 OK 27 100 - 27 - ~6546=10, 4673/2.9=3...(10) HG2 LYS 63 - HA PHE 17 OK 19 89 - 22 - 4674/3.0=3, 4676/3.0=3...(10) HG3 LYS 63 - HA PHE 17 OK 19 89 - 22 - 4674/3.0=3, 4676/3.0=3...(10) HB ILE 51 - HA PHE 17 OK 18 99 - 19 - 3021/4657=2, 4711/3.6=2...(9) HG13 ILE 51 - HA PHE 17 OK 12 89 - 14 - 4711/3.6=2, 313/6144=1...(6) HB2 LYS 41 - HA PHE 17 lone 8 85 - 10 - ~30=1, 4673/2.9=1 QB ALA 31 - HA PHE 17 lone 8 95 - 9 - 4711/3.6=1, 4673/2.9=1 HG3 LYS 94 - HA PHE 17 lone 7 98 - 7 - HG3 LYS 61 - HA PHE 17 poor 6 60 - 10 - 3.0/4664=2, 3.9/4659=1...(4) HD3 LYS 86 - HA PHE 17 lone 3 60 - 5 - 3.0/4666=2 HG2 LYS 44 - HA PHE 17 lone 3 78 - 3 - Peak 4666 from cnoeabs.peaks (1.26, 5.41, 55.05 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.94: QB ALA 98 + HA PHE 17 OK 94 97 - 96 - 7002=33, 6987/2.9=29...(24) QG2 THR 26 - HA PHE 17 lone 10 98 - 10 - 4710/3.6=2, 4677/3.0=2 HG3 LYS 35 - HA PHE 17 lone 10 97 - 10 - 4710/3.6=2, 4677/3.0=2 HG3 LYS 86 - HA PHE 17 lone 9 99 - 9 - 4710/3.6=2, 4677/3.0=2 HG13 ILE 39 - HA PHE 17 lone 5 60 - 8 - 4677/3.0=1 Peak 4667 from cnoeabs.peaks (1.17, 5.41, 55.05 ppm; 5.08 A): 5 out of 6 assignments used, quality = 0.84: QG2 THR 15 + HA PHE 17 OK 57 90 - 64 - 4550=26, 4553/4657=17...(8) HG13 ILE 37 + HA PHE 17 OK 24 99 - 24 - 6112/6144=3, 3.2/4669=3...(9) HB2 LEU 21 + HA PHE 17 OK 23 90 - 26 - 3.1/7032=9, ~31=5...(7) HB3 LEU 21 + HA PHE 17 OK 22 87 - 26 - 3.1/7032=9, ~31=5...(7) HG13 ILE 27 + HA PHE 17 OK 18 96 - 19 - 2.1/4668=4, 6096/4657=3...(7) HB3 LYS 41 - HA PHE 17 poor 8 76 - 11 - 1.8/4665=2, ~4673=2...(4) Peak 4668 from cnoeabs.peaks (0.97, 5.41, 55.05 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.93: QB ALA 66 + HA PHE 17 OK 78 98 - 80 - 4.4/4657=35, 2.9/6051=31...(16) QG1 VAL 95 + HA PHE 17 OK 63 97 - 66 - 6930/2.9=24, 4708/3.6=18...(14) QD1 ILE 27 + HA PHE 17 OK 17 81 - 21 - 2.1/4667=5, 4708/3.6=4...(6) Peak 4669 from cnoeabs.peaks (0.85, 5.41, 55.05 ppm; 4.96 A): 3 out of 9 assignments used, quality = 0.96: QG2 ILE 16 + HA PHE 17 OK 77 83 - 94 - 4049/2.9=29, ~4048=26...(21) QG1 VAL 18 + HA PHE 17 OK 71 83 - 86 - 2.1/4670=46, 3.9/33=41...(10) QG2 ILE 80 + HA PHE 17 OK 40 99 - 40 - ~6546=18, 28/2.9=6...(11) QG2 ILE 37 - HA PHE 17 OK 26 100 - 26 - 3.2/4667=5, 4049/2.9=4...(9) QD1 ILE 51 - HA PHE 17 OK 18 78 - 24 - 635/3.6=4, 3.2/4665=4...(10) QG2 VAL 30 - HA PHE 17 OK 16 100 - 16 - 28/2.9=2, 5107/7032=2...(8) QG1 VAL 30 - HA PHE 17 OK 15 98 - 15 - 28/2.9=2, 6098/4657=2...(6) QD2 LEU 62 - HA PHE 17 OK 13 96 - 13 - 4.0/4659=2, ~4671=2...(4) QG2 THR 42 - HA PHE 17 lone 6 71 - 8 - 3.2/4659=2 Peak 4670 from cnoeabs.peaks (0.67, 5.41, 55.05 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.82: QG2 VAL 18 + HA PHE 17 OK 82 100 - 82 - 4704=33, 636/3.6=32...(15) Peak 4674 from cnoeabs.peaks (1.45, 2.82, 41.62 ppm; 4.43 A): 1 out of 13 assignments used, quality = 0.96: QG2 THR 67 + HB2 PHE 17 OK 96 99 - 97 - 6066/2.4=46, 6081/3.0=33...(19) HG2 LYS 63 - HB2 PHE 17 OK 44 95 - 47 - 3.0/7209=6, 2.9/7107=6...(16) HG3 LYS 63 - HB2 PHE 17 OK 44 95 - 47 - 3.0/7209=6, 2.9/7107=6...(16) HG12 ILE 80 - HB2 PHE 17 OK 22 99 - 23 - 4665/3.0=5, 4673/4.0=4...(8) HB ILE 51 - HB2 PHE 17 OK 21 97 - 21 - 4665/3.0=3, 4676/1.8=3...(8) HG13 ILE 51 - HB2 PHE 17 OK 16 95 - 17 - 4665/3.0=2, 4652/2.4=2...(10) HG3 LYS 61 - HB2 PHE 17 OK 15 71 - 21 - 4652/2.4=3, ~4792=2...(11) HG2 LYS 61 - HB2 PHE 17 OK 14 68 - 20 - 4652/2.4=3, ~4792=2...(10) HG3 LYS 94 - HB2 PHE 17 OK 11 100 - 11 - 4676/1.8=1, 4678/2.4=1...(6) QB ALA 31 - HB2 PHE 17 poor 10 89 - 11 - 4711/4.4=2, 4665/3.0=1...(5) HB2 LYS 41 - HB2 PHE 17 lone 8 76 - 10 - 4673/4.0=2, 4665/3.0=2...(5) HD3 LYS 86 - HB2 PHE 17 lone 6 71 - 8 - 3.0/4675=2, ~4677=1, ~4666=1 HG2 LYS 44 - HB2 PHE 17 lone 3 68 - 4 - Peak 4675 from cnoeabs.peaks (1.26, 2.82, 41.62 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.94: QB ALA 98 + HB2 PHE 17 OK 92 100 - 92 - 7007=29, 4677/1.8=26...(18) HG12 ILE 16 + HB2 PHE 17 OK 25 73 - 34 - 4.9/1332=17, 4677/1.8=6...(6) HG3 LYS 35 - HB2 PHE 17 lone 7 100 - 7 - 4677/1.8=2, 4666/3.0=2 QG2 THR 26 - HB2 PHE 17 lone 7 100 - 7 - 4677/1.8=2, 4666/3.0=2 HG3 LYS 86 - HB2 PHE 17 lone 7 90 - 7 - 4677/1.8=2, 4666/3.0=2 HG13 ILE 39 - HB2 PHE 17 lone 4 83 - 5 - 4677/1.8=1, 4666/3.0=1 Peak 4676 from cnoeabs.peaks (1.45, 2.71, 41.62 ppm; 4.31 A): 1 out of 12 assignments used, quality = 0.96: QG2 THR 67 + HB3 PHE 17 OK 96 100 - 97 - 6066/2.4=45, 6081/3.0=32...(19) HG2 LYS 63 - HB3 PHE 17 OK 34 89 - 39 - 4674/1.8=5, 4652/2.4=5...(15) HG3 LYS 63 - HB3 PHE 17 OK 34 89 - 39 - 4674/1.8=5, 4652/2.4=5...(15) HG12 ILE 80 - HB3 PHE 17 OK 22 100 - 22 - 4665/3.0=5, 4673/4.0=4...(9) HB ILE 51 - HB3 PHE 17 OK 20 99 - 20 - 4665/3.0=3, 4678/2.4=3...(9) HG13 ILE 51 - HB3 PHE 17 OK 14 89 - 16 - 4665/3.0=2, 4674/1.8=2...(9) HG3 LYS 61 - HB3 PHE 17 OK 11 60 - 18 - 4652/2.4=2, ~4792=2...(10) HG3 LYS 94 - HB3 PHE 17 lone 9 98 - 9 - 4678/2.4=1, 4674/1.8=1...(5) QB ALA 31 - HB3 PHE 17 lone 9 95 - 9 - 4711/4.4=1, 4665/3.0=1...(5) HB2 LYS 41 - HB3 PHE 17 poor 9 85 - 10 - 4673/4.0=1, 4665/3.0=1 HD3 LYS 86 - HB3 PHE 17 lone 5 60 - 8 - 3.0/4677=2, ~4675=1, ~4666=1 HG2 LYS 44 - HB3 PHE 17 lone 3 78 - 4 - Peak 4677 from cnoeabs.peaks (1.26, 2.71, 41.62 ppm; 3.73 A): 2 out of 6 assignments used, quality = 0.92: QB ALA 98 + HB3 PHE 17 OK 90 100 - 90 - 7008=23, 4675/1.8=22...(18) HG12 ILE 16 + HB3 PHE 17 OK 22 73 - 30 - 4.9/627=12, 4675/1.8=6...(7) HG3 LYS 35 - HB3 PHE 17 lone 7 100 - 7 - 4675/1.8=2, 4666/3.0=2 QG2 THR 26 - HB3 PHE 17 lone 7 100 - 7 - 4675/1.8=2, 4666/3.0=2 HG3 LYS 86 - HB3 PHE 17 lone 7 90 - 7 - 4675/1.8=2, 4666/3.0=2 HG13 ILE 39 - HB3 PHE 17 lone 4 83 - 5 - Peak 4678 from cnoeabs.peaks (1.46, 7.11, 131.38 ppm; 4.45 A): 2 out of 10 assignments used, quality = 0.95: QG2 THR 67 + QD PHE 17 OK 93 99 - 94 - 6066=50, 6081/3.7=28...(13) HG2 LYS 63 + QD PHE 17 OK 28 76 - 37 - 4674/2.4=5, 4676/2.4=5...(15) HG3 LYS 63 - QD PHE 17 OK 28 76 - 37 - 4674/2.4=5, 4676/2.4=5...(15) HG12 ILE 80 - QD PHE 17 OK 20 99 - 21 - 4665/3.7=4, 4673/4.5=4...(9) HB ILE 51 - QD PHE 17 OK 20 99 - 20 - 4665/3.7=3, 4711/4.5=3...(7) HG13 ILE 51 - QD PHE 17 OK 12 76 - 16 - 4711/4.5=2, 4676/2.4=2...(9) HG3 LYS 94 - QD PHE 17 poor 10 91 - 11 - 4653/2.2=1, 4676/2.4=1...(7) QB ALA 31 - QD PHE 17 lone 9 97 - 10 - 4711/4.5=2, 4673/4.5=1...(5) HB2 LYS 41 - QD PHE 17 lone 9 91 - 10 - 4673/4.5=1, 4665/3.7=1 HG2 LYS 44 - QD PHE 17 lone 4 86 - 4 - Peak 4682 from cnoeabs.peaks (1.97, 7.02, 131.06 ppm; 4.69 A): 3 out of 11 assignments used, quality = 0.95: HB2 GLU 65 + QE PHE 17 OK 82 93 - 89 - 4788/2.2=22, 1.8/6010=18...(18) HG2 GLN 19 + QE PHE 17 OK 56 93 - 61 - ~4744=23, 4743/2.2=12...(9) HG3 PRO 74 + QE PHE 17 OK 34 88 - 39 - 1.8/4784=9, 7062/2.2=8...(7) HG3 PRO 73 - QE PHE 17 poor 9 63 - 14 - 4791/2.2=5, 6330/5.6=4...(4) HB2 LYS 77 - QE PHE 17 lone 8 93 - 8 - 1.8/4784=2, 7062/2.2=2...(4) HB VAL 95 - QE PHE 17 lone 4 54 - 8 - 2.1/6919=3, 4791/2.2=2 HB3 GLU 28 - QE PHE 17 lone 3 93 - 3 - HB2 LYS 45 - QE PHE 17 lone 2 63 - 3 - HB3 LYS 45 - QE PHE 17 lone 2 63 - 3 - HB VAL 25 - QE PHE 17 lone 2 74 - 2 - HG2 PRO 49 - QE PHE 17 lone 1 51 - 2 - Peak 4683 from cnoeabs.peaks (1.45, 7.02, 131.06 ppm; 5.44 A): 3 out of 12 assignments used, quality = 0.93: QG2 THR 67 + QE PHE 17 OK 88 93 - 94 - 6066/2.2=50, ~6062=26...(11) HG2 LYS 63 + QE PHE 17 OK 22 78 - 28 - ~4652=6, 4652/2.2=6...(7) HG3 LYS 63 + QE PHE 17 OK 22 78 - 28 - ~4652=6, 4652/2.2=6...(7) HG12 ILE 80 - QE PHE 17 OK 20 93 - 21 - 4673/6.5=4, 4678/2.2=4...(6) HB ILE 51 - QE PHE 17 OK 17 91 - 19 - 4678/2.2=4, 4676/4.4=3...(7) HG3 LYS 61 - QE PHE 17 OK 13 51 - 24 - 3.0/7064=4, ~4792=4...(9) HG3 LYS 94 - QE PHE 17 OK 13 89 - 14 - 2.9/7064=2, 4678/2.2=2...(7) HG13 ILE 51 - QE PHE 17 OK 10 78 - 13 - ~4678=2, 4678/2.2=2...(5) QB ALA 31 - QE PHE 17 lone 8 85 - 10 - 4678/2.2=2, 4673/6.5=1...(5) HB2 LYS 41 - QE PHE 17 lone 7 74 - 9 - 4678/2.2=2, 4673/6.5=1...(4) HG2 LYS 44 - QE PHE 17 lone 4 68 - 5 - HD3 LYS 86 - QE PHE 17 lone 3 51 - 5 - Peak 4686 from cnoeabs.peaks (6.87, 1.64, 34.49 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.99: QE PHE 34 + HB VAL 18 OK 94 99 - 95 - 4690/2.1=47, ~4830=34...(24) HZ PHE 34 + HB VAL 18 OK 84 89 - 95 - 4830/2.1=41, ~4690=34...(23) QE TYR 54 - HB VAL 18 poor 8 71 - 11 - 4708/4714=3, 5852/3.9=2 Peak 4687 from cnoeabs.peaks (8.48, 0.87, 22.07 ppm; 4.55 A): 6 out of 9 assignments used, quality = 0.88: H LEU 21 + QG1 VAL 18 OK 51 97 - 53 - 4.7/4717=22, 4.7/4716=13...(10) H ILE 93 + QG1 VAL 18 OK 51 76 - 67 - 3.0/4702=30, 5.0/6852=17...(12) H PHE 83 + QG1 VAL 18 OK 25 100 - 25 - 6603/4715=5, 6590/4690=4...(8) H ALA 98 + QG1 VAL 18 OK 14 100 - 14 - 7018/4717=5, 7018/4717=2...(4) H THR 42 + QG1 VAL 18 OK 14 99 - 13 - 3.6/5459=3, 779=3...(4) H ASP 72 + QG1 VAL 18 OK 10 100 - 10 - ~4704=2, ~4700=2, 4.5/6273=1 H TRP 82 - QG1 VAL 18 lone 6 93 - 6 - 6577=1 H THR 15 - QG1 VAL 18 lone 5 73 - 7 - H ASP 71 - QG1 VAL 18 lone 5 60 - 8 - 3.9/6273=1 Peak 4688 from cnoeabs.peaks (8.35, 0.87, 22.07 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.83: H LYS 94 + QG1 VAL 18 OK 74 99 - 75 - 3.6/4702=24, 6868/4.1=19...(15) H ASN 52 + QG1 VAL 18 OK 20 87 - 23 - 4745/4.1=4, 4.1/2506=4...(11) H LYS 35 + QG1 VAL 18 OK 19 100 - 19 - 4745/4.1=3, 5225=2...(8) H GLY 64 - QG1 VAL 18 lone 7 89 - 7 - 4782/4716=1 Peak 4690 from cnoeabs.peaks (6.88, 0.87, 22.07 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.92: QE PHE 34 + QG1 VAL 18 OK 72 100 - 72 - 4690/2.1=27, ~4830=16...(20) HZ PHE 34 + QG1 VAL 18 OK 70 98 - 72 - 4830/2.1=28, ~4690=16...(17) Peak 4691 from cnoeabs.peaks (8.08, 0.67, 21.30 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.91: H VAL 68 + QG2 VAL 18 OK 89 100 - 89 - 3.6/6106=32, 4.0/6122=25...(18) H ASN 13 + QG2 VAL 18 OK 13 97 - 14 - 4684/3.9=4, 4650/4670=2...(6) H SER 75 + QG2 VAL 18 OK 11 76 - 14 - 4.6/4692=4, 4650/4670=2...(4) H THR 59 - QG2 VAL 18 lone 8 85 - 9 - 4645/4592=2, 4.0/4723=2 Peak 4692 from cnoeabs.peaks (7.42, 0.67, 21.30 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.94: QD PHE 34 + QG2 VAL 18 OK 93 100 - 93 - 2.2/4690=49, 3.8/4830=38...(19) H ALA 76 + QG2 VAL 18 OK 22 85 - 26 - 4635/4598=8, 6463/6492=8...(5) H THR 46 - QG2 VAL 18 lone 6 100 - 6 - 6162/4726=1, 6463/6492=1 Peak 4693 from cnoeabs.peaks (6.96, 0.67, 21.30 ppm; 4.58 A): 5 out of 7 assignments used, quality = 0.88: QE PHE 70 + QG2 VAL 18 OK 48 100 - 48 - 4720/4598=10, 4697/2.1=7...(16) HZ PHE 88 + QG2 VAL 18 OK 34 92 - 37 - 4697/2.1=9, ~4697=5...(17) QE PHE 88 + QG2 VAL 18 OK 34 90 - 37 - ~4696=12, 4697/2.1=7...(11) QE PHE 83 + QG2 VAL 18 OK 32 85 - 38 - 4697/2.1=6, 4838/4598=6...(15) HZ PHE 83 + QG2 VAL 18 OK 22 89 - 25 - ~4697=4, 4697/2.1=4...(9) HE22 GLN 48 - QG2 VAL 18 lone 9 93 - 10 - 4697/2.1=2, 6464/6492=1 HD21 ASN 52 - QG2 VAL 18 lone 6 81 - 7 - 4697/2.1=2 Peak 4694 from cnoeabs.peaks (6.89, 0.67, 21.30 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.97: HZ PHE 34 + QG2 VAL 18 OK 83 100 - 83 - 4830=38, 2.2/4690=28...(18) QE PHE 34 + QG2 VAL 18 OK 82 99 - 83 - 4690=37, 2.2/4830=28...(18) Peak 4696 from cnoeabs.peaks (6.21, 0.87, 22.07 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.68: QD PHE 88 + QG1 VAL 18 OK 50 99 - 51 - 4749/4717=11, 3.8/4697=9...(13) QE TYR 33 + QG1 VAL 18 OK 35 97 - 36 - 5161/6852=9, 4847/4690=6...(9) Peak 4697 from cnoeabs.peaks (6.97, 0.87, 22.07 ppm; 4.53 A): 5 out of 8 assignments used, quality = 0.81: HZ PHE 88 + QG1 VAL 18 OK 38 97 - 39 - 3.8/4696=13, 4693/2.1=7...(10) QE PHE 88 + QG1 VAL 18 OK 30 81 - 37 - 2.2/4696=16, 4693/2.1=7...(8) QE PHE 70 + QG1 VAL 18 OK 29 100 - 29 - 4693/2.1=9, ~4775=5...(8) QE PHE 83 + QG1 VAL 18 OK 26 93 - 28 - 4693/2.1=6, ~4735=4...(11) HZ PHE 83 + QG1 VAL 18 OK 17 78 - 21 - 4693/2.1=4, ~4693=4...(9) HE22 GLN 48 - QG1 VAL 18 lone 8 98 - 8 - 4693/2.1=2, 4.6/4720=1 HD21 ASN 52 - QG1 VAL 18 lone 7 90 - 8 - 5.5/4688=3, 4693/2.1=1 HD21 ASN 24 - QG1 VAL 18 lone 1 71 - 2 - Peak 4700 from cnoeabs.peaks (5.41, 1.64, 34.49 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.89: HA PHE 17 + HB VAL 18 OK 89 100 - 89 - 4670/2.1=47, 33/3.9=42...(13) HA ASP 72 - HB VAL 18 poor 8 71 - 11 - 4704/2.1=4, 33/3.9=3, ~4687=2 Peak 4701 from cnoeabs.peaks (5.50, 1.64, 34.49 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.76: HA GLU 65 + HB VAL 18 OK 76 95 - 81 - 4703/2.1=47, 5998=18...(13) Peak 4702 from cnoeabs.peaks (5.13, 0.87, 22.07 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.64: HA ILE 93 + QG1 VAL 18 OK 64 93 - 69 - 4.2/6852=22, 3.6/4688=21...(8) Peak 4703 from cnoeabs.peaks (5.50, 0.87, 22.07 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.59: HA GLU 65 + QG1 VAL 18 OK 59 98 - 61 - 4701/2.1=28, 3.6/6032=11...(10) Peak 4704 from cnoeabs.peaks (5.40, 0.67, 21.30 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.90: HA PHE 17 + QG2 VAL 18 OK 90 100 - 90 - 4670=50, 3.6/636=38...(15) HA ASP 72 - QG2 VAL 18 poor 10 90 - 11 - 4700/2.1=2, 33/3.9=2...(5) Peak 4705 from cnoeabs.peaks (5.18, 0.67, 21.30 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.99: HA ILE 16 + QG2 VAL 18 OK 97 99 - 97 - 4.2/4598=41, 3.2/4587=38...(16) HA LYS 94 + QG2 VAL 18 OK 65 96 - 68 - ~4688=18, 6858/6907=12...(14) HA ILE 93 - QG2 VAL 18 OK 30 57 - 53 - 4740/4.1=15, ~4720=15...(7) Peak 4706 from cnoeabs.peaks (5.75, 0.67, 21.30 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.91: HA THR 67 + QG2 VAL 18 OK 91 100 - 91 - 6106=50, 4698/3.9=34...(18) Peak 4712 from cnoeabs.peaks (0.28, 1.64, 34.49 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.97: QD1 LEU 21 + HB VAL 18 OK 83 100 - 84 - 4811=24, 4716/2.1=17...(20) QG2 VAL 68 + HB VAL 18 OK 58 97 - 60 - ~6122=14, ~4726=12...(15) QD1 ILE 16 + HB VAL 18 OK 49 63 - 79 - 4598/2.1=22, ~4592=17...(20) Peak 4713 from cnoeabs.peaks (-0.19, 1.64, 34.49 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 21 + HB VAL 18 OK 94 100 - 94 - 4717/2.1=37, 4727/2.1=25...(19) QD1 ILE 80 + HB VAL 18 OK 49 97 - 50 - 4727/2.1=17, 4717/2.1=13...(12) Peak 4714 from cnoeabs.peaks (0.96, 1.64, 34.49 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.88: QG1 VAL 95 + HB VAL 18 OK 71 90 - 79 - 6912/2.1=24, ~6907=23...(19) QB ALA 66 + HB VAL 18 OK 59 100 - 59 - 6036=13, ~6033=12...(15) QD1 ILE 27 - HB VAL 18 lone 9 90 - 10 - 4954/3.0=2, 4708/3.9=2 Peak 4715 from cnoeabs.peaks (1.10, 0.87, 22.07 ppm; 3.05 A): 2 out of 3 assignments used, quality = 0.92: QG2 VAL 95 + QG1 VAL 18 OK 75 100 - 75 - 6907/2.1=29, 6905=20...(18) HG LEU 21 + QG1 VAL 18 OK 69 100 - 69 - 2.1/4717=22, 2.1/4716=13...(18) QG2 THR 99 - QG1 VAL 18 lone 3 89 - 3 - Peak 4716 from cnoeabs.peaks (0.28, 0.87, 22.07 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 21 + QG1 VAL 18 OK 76 100 - 76 - 2.1/4717=24, 2.1/4715=16...(19) QD1 ILE 16 + QG1 VAL 18 OK 51 73 - 69 - 4598/2.1=23, ~4592=13...(15) QG2 VAL 68 + QG1 VAL 18 OK 48 92 - 52 - ~6122=11, ~4726=9...(14) Peak 4717 from cnoeabs.peaks (-0.19, 0.87, 22.07 ppm; 3.21 A): 2 out of 2 assignments used, quality = 0.77: QD2 LEU 21 + QG1 VAL 18 OK 70 99 - 71 - 2.1/4715=16, 2.1/4716=14...(19) QD1 ILE 80 + QG1 VAL 18 OK 24 92 - 26 - 4727/2.1=7, 4713/2.1=5...(8) Peak 4718 from cnoeabs.peaks (1.09, 1.64, 34.49 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 95 + HB VAL 18 OK 88 98 - 89 - 6907/2.1=47, 4715/2.1=24...(16) HG LEU 21 + HB VAL 18 OK 82 95 - 87 - ~4717=24, 7066/2.1=24...(14) QG2 THR 99 - HB VAL 18 lone 5 98 - 5 - 4730/4.3=1, 4724/2.1=1 Peak 4719 from cnoeabs.peaks (1.52, 0.87, 22.07 ppm; 4.42 A): 5 out of 10 assignments used, quality = 0.89: HG13 ILE 93 + QG1 VAL 18 OK 69 100 - 69 - 2.1/6852=29, 4.2/4702=23...(11) HB3 LYS 94 + QG1 VAL 18 OK 37 81 - 46 - 4.0/4688=16, 6872/4.1=13...(7) HG2 LYS 94 + QG1 VAL 18 OK 29 97 - 30 - 4.9/4688=13, 2.9/4720=8...(6) HG3 LYS 41 + QG1 VAL 18 OK 11 99 - 11 - 4.0/5459=3, ~4723=1 HG LEU 53 + QG1 VAL 18 OK 10 89 - 11 - ~5801=2, ~5799=2, 7095/2506=2 HB3 LEU 62 - QG1 VAL 18 lone 9 97 - 9 - 5965/4688=2, 3.0/4720=1 HB3 LYS 63 - QG1 VAL 18 lone 5 95 - 5 - 4.7/4688=1, 4731/4.1=1 HG2 LYS 45 - QG1 VAL 18 lone 3 100 - 3 - HG2 LYS 86 - QG1 VAL 18 lone 3 81 - 4 - ~4723=1 HD2 LYS 86 - QG1 VAL 18 lone 3 68 - 5 - 4731/4.1=2 Peak 4720 from cnoeabs.peaks (1.81, 0.87, 22.07 ppm; 3.71 A): 3 out of 7 assignments used, quality = 0.88: HB ILE 93 + QG1 VAL 18 OK 74 100 - 74 - 6844=22, 3.0/4702=20...(14) HB2 LYS 94 + QG1 VAL 18 OK 34 92 - 37 - 4.0/4688=11, 6871/4.1=9...(8) HB3 GLU 65 + QG1 VAL 18 OK 31 89 - 35 - 3.0/4703=16, ~4701=9...(6) HB ILE 39 - QG1 VAL 18 lone 6 92 - 7 - 4.4/4061=3, 3.0/1965=1 HB2 GLN 48 - QG1 VAL 18 lone 6 100 - 6 - 3.8/5610=2 HG LEU 62 - QG1 VAL 18 lone 5 100 - 5 - 3.0/4719=1 HG2 GLU 87 - QG1 VAL 18 lone 3 99 - 3 - Peak 4721 from cnoeabs.peaks (1.84, 0.67, 21.30 ppm; 4.31 A): 4 out of 13 assignments used, quality = 0.94: HB ILE 16 + QG2 VAL 18 OK 79 83 - 96 - 3.2/4598=38, 2.1/4587=35...(23) HB3 GLU 65 + QG2 VAL 18 OK 49 93 - 53 - 4.4/6033=19, ~4703=16...(8) HB2 LYS 94 + QG2 VAL 18 OK 32 90 - 35 - 6871/4.1=12, 3.0/4705=8...(7) HB ILE 37 + QG2 VAL 18 OK 19 89 - 21 - 4584=4, 2.1/4587=4...(4) HB2 PRO 74 - QG2 VAL 18 lone 6 100 - 6 - 3.9/4691=2, 4663/4670=2 HB ILE 27 - QG2 VAL 18 lone 6 63 - 10 - ~4954=1, ~4714=1...(4) HB2 LYS 61 - QG2 VAL 18 lone 4 100 - 4 - HG LEU 62 - QG2 VAL 18 lone 3 65 - 5 - HB ILE 39 - QG2 VAL 18 lone 3 90 - 3 - HD3 LYS 77 - QG2 VAL 18 lone 3 60 - 5 - 6426/4727=1 HB2 LYS 44 - QG2 VAL 18 lone 2 78 - 3 - HB3 LYS 44 - QG2 VAL 18 lone 2 71 - 3 - HB2 PRO 92 - QG2 VAL 18 lone 1 60 - 2 - Peak 4722 from cnoeabs.peaks (1.32, 0.67, 21.30 ppm; 4.15 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4723 from cnoeabs.peaks (1.22, 0.67, 21.30 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.94: HG13 ILE 16 + QG2 VAL 18 OK 94 99 - 94 - 2.1/4598=42, 4592=39...(20) HB3 LYS 41 - QG2 VAL 18 lone 5 60 - 8 - ~5459=2 QG2 THR 59 - QG2 VAL 18 lone 5 100 - 5 - 4.0/4691=1 HG3 LYS 86 - QG2 VAL 18 lone 4 71 - 5 - 4710/3.9=1, 6120/6122=1 Peak 4724 from cnoeabs.peaks (1.09, 0.67, 21.30 ppm; 3.43 A): 2 out of 3 assignments used, quality = 0.97: QG2 VAL 95 + QG2 VAL 18 OK 89 100 - 89 - 6907=49, 2.1/6912=24...(22) HG LEU 21 + QG2 VAL 18 OK 77 98 - 78 - 4715/2.1=18, ~4717=14...(18) QG2 THR 99 - QG2 VAL 18 lone 4 95 - 4 - Peak 4725 from cnoeabs.peaks (0.28, 0.67, 21.30 ppm; 2.98 A): 3 out of 3 assignments used, quality = 0.95: QD1 ILE 16 + QG2 VAL 18 OK 71 85 - 84 - 4598=36, 2.1/4723=18...(25) QD1 LEU 21 + QG2 VAL 18 OK 67 99 - 67 - 4716/2.1=12, 2.1/4724=11...(24) QG2 VAL 68 + QG2 VAL 18 OK 44 83 - 53 - 2.1/6122=11, 2.1/4726=9...(17) Peak 4726 from cnoeabs.peaks (0.01, 0.67, 21.30 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 68 + QG2 VAL 18 OK 94 100 - 94 - 2.1/6122=39, 4.0/4691=24...(22) Peak 4727 from cnoeabs.peaks (-0.18, 0.67, 21.30 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 21 + QG2 VAL 18 OK 89 99 - 89 - 4717/2.1=29, 2.1/7066=22...(20) QD1 ILE 80 + QG2 VAL 18 OK 61 100 - 61 - 4717/2.1=10, 4713/2.1=9...(17) Peak 4732 from cnoeabs.peaks (1.53, 2.11, 33.99 ppm; 3.99 A): 6 out of 11 assignments used, quality = 0.88: HB3 LYS 94 + HB2 GLN 19 OK 67 100 - 68 - 6866=22, 1.8/6865=19...(8) HG2 LYS 94 + HB2 GLN 19 OK 28 60 - 47 - 2.9/6865=16, 2.9/6866=15...(6) HB3 GLU 87 + HB2 GLN 19 OK 21 73 - 29 - ~7177=7, 3.0/7176=7...(8) HD2 LYS 86 + HB2 GLN 19 OK 13 99 - 13 - 4355/4.6=5, 4733/1.8=3...(4) HG13 ILE 93 + HB2 GLN 19 OK 13 93 - 14 - 4731/4.0=6, 4733/1.8=3...(4) HB3 LYS 63 + HB2 GLN 19 OK 13 99 - 13 - 4733/1.8=3, 4734/3.0=3...(5) HB3 LEU 62 - HB2 GLN 19 lone 7 98 - 7 - 4733/1.8=2, 5965/4747=1...(4) HB3 PRO 49 - HB2 GLN 19 poor 6 63 - 10 - ~7177=4, 1.8/7176=2...(4) HG2 LYS 45 - HB2 GLN 19 lone 3 83 - 3 - HG3 LYS 44 - HB2 GLN 19 lone 2 85 - 2 - HG3 LYS 41 - HB2 GLN 19 lone 1 65 - 2 - Peak 4733 from cnoeabs.peaks (1.53, 1.76, 33.99 ppm; 3.78 A): 5 out of 11 assignments used, quality = 0.78: HB3 LYS 94 + HB3 GLN 19 OK 54 100 - 55 - 6866/1.8=18, ~6865=12...(7) HG2 LYS 94 + HB3 GLN 19 OK 25 60 - 43 - 4.0/4742=10, ~6866=9...(7) HB3 GLU 87 + HB3 GLN 19 OK 19 73 - 26 - 3.0/7177=8, 4732/1.8=4...(8) HG13 ILE 93 + HB3 GLN 19 OK 12 93 - 13 - 4731/4.0=5, 4732/1.8=3...(4) HD2 LYS 86 + HB3 GLN 19 OK 11 99 - 11 - 4355/4.6=5, 4732/1.8=3...(4) HB3 LYS 63 - HB3 GLN 19 lone 10 99 - 10 - 4732/1.8=2, 4734/3.0=2...(5) HB3 LEU 62 - HB3 GLN 19 lone 6 98 - 6 - 4732/1.8=1, 5965/4748=1 HB3 PRO 49 - HB3 GLN 19 lone 6 63 - 9 - 1.8/7177=4, 4732/1.8=1...(4) HG2 LYS 45 - HB3 GLN 19 lone 2 83 - 2 - HG3 LYS 44 - HB3 GLN 19 lone 2 85 - 2 - HG3 LYS 41 - HB3 GLN 19 lone 1 65 - 1 - Peak 4734 from cnoeabs.peaks (1.54, 1.97, 35.05 ppm; 4.93 A): 5 out of 9 assignments used, quality = 0.83: HB3 LYS 94 + HG2 GLN 19 OK 64 100 - 64 - 6866/3.0=23, 6872/5.2=16...(7) HB3 GLU 87 + HG2 GLN 19 OK 23 81 - 29 - ~7177=9, ~7176=5...(6) HB3 LYS 63 + HG2 GLN 19 OK 19 98 - 19 - 7208=5, 1.8/7101=3...(6) HG13 ILE 93 + HG2 GLN 19 OK 14 89 - 16 - 4731/5.2=7, 4733/3.0=3...(4) HD2 LYS 86 + HG2 GLN 19 OK 13 100 - 12 - 4733/3.0=3, 4732/3.0=3...(4) HB3 PRO 49 - HG2 GLN 19 poor 9 71 - 13 - ~7177=5, 4733/3.0=2...(4) HB3 LEU 62 - HG2 GLN 19 lone 7 96 - 7 - 4733/3.0=2, 4732/3.0=2...(4) HG3 LYS 44 - HG2 GLN 19 lone 3 90 - 3 - HG2 LYS 45 - HG2 GLN 19 lone 3 76 - 4 - Peak 4737 from cnoeabs.peaks (3.74, 2.11, 33.99 ppm; 5.09 A): 2 out of 5 assignments used, quality = 0.92: HA2 GLY 20 + HB2 GLN 19 OK 89 100 - 89 - 4756=35, 2.9/47=33...(10) HA2 GLY 64 + HB2 GLN 19 OK 34 100 - 34 - 7112/4.6=16, 3.6/898=7...(6) HA VAL 30 - HB2 GLN 19 lone 10 100 - 10 - 3.0/7176=6, 6859/4747=1 HB THR 42 - HB2 GLN 19 lone 3 97 - 3 - HA2 GLY 60 - HB2 GLN 19 lone 2 71 - 2 - Peak 4738 from cnoeabs.peaks (5.51, 1.97, 35.05 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.73: HA GLU 65 + HG2 GLN 19 OK 73 100 - 73 - 4739/3.0=28, 7138/4.1=28...(9) HA THR 15 - HG2 GLN 19 poor 10 73 - 13 - 4739/3.0=5, 7138/4.1=4 Peak 4739 from cnoeabs.peaks (5.52, 2.11, 33.99 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.86: HA GLU 65 + HB2 GLN 19 OK 83 100 - 84 - 7138/2.9=33, 4738/3.0=30...(10) HA THR 15 + HB2 GLN 19 OK 14 83 - 16 - 4764/4.6=6, 7138/2.9=5 Peak 4741 from cnoeabs.peaks (4.95, 1.76, 33.99 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.59: HA VAL 18 + HB3 GLN 19 OK 44 96 - 47 - 3.6/640=41, ~634=5, 6861/4748=3 HA VAL 95 + HB3 GLN 19 OK 16 92 - 18 - 41/4.0=10, 6861/4748=4, ~6898=1 HA ASN 52 + HB3 GLN 19 OK 12 97 - 13 - 2.9/4748=6, ~4747=4, 41/4.0=2 HA ASN 24 - HB3 GLN 19 lone 3 100 - 2 - Peak 4742 from cnoeabs.peaks (5.18, 1.76, 33.99 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.85: HA LYS 94 + HB3 GLN 19 OK 81 97 - 83 - 3.0/4748=23, ~6866=20...(10) HA ILE 16 + HB3 GLN 19 OK 24 100 - 24 - 4615/2.9=10, 4740/4.0=7, ~7058=5 Peak 4743 from cnoeabs.peaks (7.13, 1.97, 35.05 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.76: H GLU 65 + HG2 GLN 19 OK 60 92 - 65 - 3.0/4738=31, ~4739=17...(7) QD PHE 17 + HG2 GLN 19 OK 41 78 - 53 - 4744/1.8=29, 2.2/4682=12...(5) HZ PHE 97 - HG2 GLN 19 lone 6 81 - 7 - 2.2/4762=1 HH2 TRP 82 - HG2 GLN 19 lone 3 100 - 3 - 4744/1.8=1 Peak 4744 from cnoeabs.peaks (7.11, 1.65, 35.05 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.59: QD PHE 17 + HG3 GLN 19 OK 59 100 - 60 - 4792=18, 3.8/4790=13...(9) HH2 TRP 82 - HG3 GLN 19 lone 2 78 - 3 - Peak 4747 from cnoeabs.peaks (8.35, 2.11, 33.99 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.87: H LYS 94 + HB2 GLN 19 OK 77 100 - 77 - 6868/4.0=24, 6857=24...(8) H GLY 64 + HB2 GLN 19 OK 21 83 - 25 - 3.0/4737=8, 4.6/898=5...(6) H LYS 35 + HB2 GLN 19 OK 18 100 - 17 - 4748/1.8=7, 4745/4.0=4...(4) H ASN 52 + HB2 GLN 19 OK 17 92 - 19 - 4748/1.8=6, 4745/4.0=6, ~4741=4 Peak 4748 from cnoeabs.peaks (8.35, 1.76, 33.99 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.79: H LYS 94 + HB3 GLN 19 OK 64 100 - 64 - 4745/4.0=24, 6857/1.8=23...(7) H LYS 35 + HB3 GLN 19 OK 19 98 - 19 - 4747/1.8=5, 4745/4.0=4...(5) H ASN 52 + HB3 GLN 19 OK 17 97 - 18 - 4745/4.0=6, 4747/1.8=5 H GLY 64 + HB3 GLN 19 OK 13 73 - 18 - 4747/1.8=6, ~4737=6...(4) Peak 4755 from cnoeabs.peaks (2.92, 3.74, 45.08 ppm; 5.23 A): 0 out of 3 assignments used, low quality = 0.00: HB3 ASN 91 - HA2 GLY 20 lone 7 93 - 7 - 6775/4759=3, 6779/3.6=2 HB2 ASN 91 - HA2 GLY 20 lone 7 92 - 7 - 6775/4759=3, 6779/3.6=2 HB2 ASN 24 - HA2 GLY 20 lone 2 92 - 2 - Peak 4756 from cnoeabs.peaks (2.11, 3.74, 45.08 ppm; 5.03 A): 2 out of 6 assignments used, quality = 0.90: HB2 GLN 19 + HA2 GLY 20 OK 88 100 - 88 - 47/2.9=32, 4737=31...(10) HG3 GLU 65 + HA2 GLY 20 OK 21 65 - 32 - 47/2.9=9, 6007/4.8=7...(5) HB3 LYS 77 - HA2 GLY 20 lone 5 100 - 5 - 47/2.9=2, ~49=1 HG2 PRO 74 - HA2 GLY 20 lone 4 100 - 4 - HB2 GLN 36 - HA2 GLY 20 lone 4 100 - 4 - 6857/6859=1 HB2 GLU 58 - HA2 GLY 20 lone 2 78 - 2 - Peak 4757 from cnoeabs.peaks (1.81, 3.74, 45.08 ppm; 4.82 A): 2 out of 7 assignments used, quality = 0.96: HB ILE 93 + HA2 GLY 20 OK 94 100 - 94 - 3.0/4765=40, ~6820=32...(11) HB3 GLU 65 + HA2 GLY 20 OK 37 87 - 43 - ~4764=16, ~6016=15...(6) HG2 GLU 87 - HA2 GLY 20 OK 32 99 - 32 - 3660/2.9=9, 4760/1.8=7...(6) HB2 LYS 94 - HA2 GLY 20 OK 22 90 - 24 - 4.0/4770=15, 6865/4756=4 HG LEU 62 - HA2 GLY 20 lone 5 100 - 5 - 4760/1.8=1 HB ILE 39 - HA2 GLY 20 lone 4 90 - 4 - ~4753=1 HB2 GLN 48 - HA2 GLY 20 lone 2 100 - 2 - Peak 4759 from cnoeabs.peaks (0.72, 3.74, 45.08 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.92: QG2 ILE 93 + HA2 GLY 20 OK 87 100 - 87 - 6820/1.8=39, 3.2/4765=31...(10) QG2 ILE 51 + HA2 GLY 20 OK 35 100 - 35 - 4762/1.8=10, 4752/2.9=8...(9) QD1 ILE 40 - HA2 GLY 20 poor 8 65 - 12 - 4752/2.9=2, 5396/3.6=2, ~50=1 Peak 4760 from cnoeabs.peaks (1.79, 4.53, 45.08 ppm; 5.23 A): 3 out of 6 assignments used, quality = 0.93: HB ILE 93 + HA3 GLY 20 OK 87 92 - 95 - 3.0/4766=46, 2.1/6820=44...(9) HG2 GLU 87 + HA3 GLY 20 OK 34 99 - 34 - 3660/2.9=10, ~3666=7...(6) HB2 LYS 94 + HA3 GLY 20 OK 21 60 - 36 - 4.0/6860=31, 4757/1.8=4 HG LEU 62 - HA3 GLY 20 lone 6 87 - 7 - 432/6860=1, 4257/4769=1 HB ILE 39 - HA3 GLY 20 lone 3 60 - 5 - ~4753=1 HB2 GLN 48 - HA3 GLY 20 lone 2 95 - 2 - Peak 4762 from cnoeabs.peaks (0.71, 4.53, 45.08 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.92: QG2 ILE 93 + HA3 GLY 20 OK 89 99 - 90 - 6820=44, 3.2/4766=33...(10) QG2 ILE 51 + HA3 GLY 20 OK 31 100 - 31 - 4759/1.8=10, 4752/2.9=8...(8) Peak 4765 from cnoeabs.peaks (5.15, 3.74, 45.08 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.85: HA ILE 93 + HA2 GLY 20 OK 85 100 - 85 - 4766/1.8=41, 6830=24...(13) Peak 4766 from cnoeabs.peaks (5.15, 4.53, 45.08 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.82: HA ILE 93 + HA3 GLY 20 OK 82 100 - 82 - 4765/1.8=33, 6829=33...(12) Peak 4769 from cnoeabs.peaks (7.99, 4.53, 45.08 ppm; 4.48 A): 5 out of 5 assignments used, quality = 0.70: H GLY 22 + HA3 GLY 20 OK 40 100 - 40 - 56/3.6=19, 4846/2.9=19...(4) H PHE 34 + HA3 GLY 20 OK 22 100 - 22 - 1163/1.8=7, 4767/2.9=5...(6) H LYS 86 + HA3 GLY 20 OK 17 85 - 20 - 1127/2.9=8, 6670/3.6=6...(4) H LYS 63 + HA3 GLY 20 OK 13 100 - 13 - 4.7/4771=4, 4767/2.9=2...(5) H VAL 30 + HA3 GLY 20 OK 12 83 - 14 - 100/2.9=7, 1073/3.6=3 Peak 4770 from cnoeabs.peaks (8.34, 3.74, 45.08 ppm; 4.62 A): 4 out of 6 assignments used, quality = 0.88: H LYS 94 + HA2 GLY 20 OK 77 95 - 81 - 6860/1.8=36, 3.6/4765=34...(10) H GLY 64 + HA2 GLY 20 OK 27 97 - 28 - ~7112=10, 4771/1.8=8...(5) H LYS 35 + HA2 GLY 20 OK 20 100 - 19 - 4771/1.8=5, 4.6/1163=4...(5) H ASN 52 + HA2 GLY 20 OK 14 73 - 19 - 4.1/4759=8, 4771/1.8=5...(5) H ASP 32 - HA2 GLY 20 lone 3 60 - 5 - 4.6/1157=2 H LYS 45 - HA2 GLY 20 lone 1 60 - 1 - Peak 4771 from cnoeabs.peaks (8.35, 4.53, 45.08 ppm; 4.39 A): 4 out of 4 assignments used, quality = 0.90: H LYS 94 + HA3 GLY 20 OK 81 98 - 82 - 6860=44, 3.6/4766=33...(9) H GLY 64 + HA3 GLY 20 OK 25 92 - 28 - ~7112=9, 4770/1.8=7...(7) H LYS 35 + HA3 GLY 20 OK 17 100 - 17 - 4770/1.8=5, 4.6/4769=5...(4) H ASN 52 + HA3 GLY 20 OK 15 83 - 18 - 4.1/4762=7, 4770/1.8=4...(5) Peak 4773 from cnoeabs.peaks (8.21, 1.15, 42.22 ppm; 5.58 A): 2 out of 8 assignments used, quality = 0.97: H GLY 20 + HB2 LEU 21 OK 82 100 - 82 - 4750/3.1=27, 4751/3.1=23...(11) H GLY 20 + HB3 LEU 21 OK 82 100 - 82 - 4750/3.1=27, 4751/3.1=23...(11) H SER 29 - HB3 LEU 21 OK 33 93 - 35 - 4781/3.1=10, 4846/4.6=7...(8) H SER 29 - HB2 LEU 21 OK 33 93 - 35 - 4781/3.1=10, 4846/4.6=7...(8) H GLU 87 - HB3 LEU 21 OK 21 78 - 27 - 6693/4.0=9, 4774/3.0=7...(4) H GLU 87 - HB2 LEU 21 OK 21 78 - 27 - 6693/4.0=9, 4774/3.0=7...(4) H ASP 12 - HB3 LEU 21 OK 12 95 - 12 - 4781/3.1=3, 4774/3.0=2...(4) H ASP 12 - HB2 LEU 21 OK 12 94 - 12 - 4781/3.1=3, 4774/3.0=2...(4) Peak 4774 from cnoeabs.peaks (8.21, 1.10, 26.05 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.91: H GLY 20 + HG LEU 21 OK 82 100 - 82 - 4750/2.1=30, 4751/2.1=25...(15) H GLU 87 + HG LEU 21 OK 29 87 - 34 - 4.6/6657=12, 6693/5.2=7...(8) H SER 29 + HG LEU 21 OK 27 87 - 31 - 4781/2.1=11, 4.6/4073=4...(7) H ASP 12 - HG LEU 21 poor 10 89 - 10 - 4781/2.1=3, 4773/3.0=1 Peak 4776 from cnoeabs.peaks (6.96, -0.19, 21.31 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.95: QE PHE 88 + QD2 LEU 21 OK 77 93 - 83 - 2.2/4749=26, 4752=19...(20) HZ PHE 88 + QD2 LEU 21 OK 67 89 - 76 - 3.8/4749=18, 4853=17...(20) QE PHE 70 + QD2 LEU 21 OK 28 100 - 28 - ~7045=4, 4752=4...(10) HZ PHE 83 - QD2 LEU 21 OK 27 92 - 30 - 4863/3.1=3, 4863/3.1=3...(12) QE PHE 83 - QD2 LEU 21 OK 21 81 - 27 - 4785/2.1=4, 4629/4749=3...(12) HE22 GLN 48 - QD2 LEU 21 OK 11 90 - 12 - 4.6/4806=2, 4785/2.1=2...(6) HD21 ASN 52 - QD2 LEU 21 lone 4 76 - 5 - 4785/2.1=1 Peak 4777 from cnoeabs.peaks (6.88, -0.19, 21.31 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.96: QE PHE 34 + QD2 LEU 21 OK 83 100 - 83 - 4692=23, 2.2/4832=16...(25) HZ PHE 34 + QD2 LEU 21 OK 77 96 - 80 - 2.2/4692=19, 4832=17...(24) Peak 4778 from cnoeabs.peaks (6.22, -0.19, 21.31 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.92: QD PHE 88 + QD2 LEU 21 OK 87 100 - 87 - 4749=33, 2.5/6719=18...(26) QE TYR 33 + QD2 LEU 21 OK 41 100 - 41 - 5160/2.1=7, 4780/4.0=6...(15) Peak 4779 from cnoeabs.peaks (6.93, 3.69, 55.38 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.63: QE PHE 88 + HA LEU 21 OK 57 78 - 72 - 2.2/4741=36, 4.4/6709=20...(10) HZ PHE 83 + HA LEU 21 OK 14 81 - 18 - 4863/2.9=4, 4863/2.9=4...(4) Peak 4780 from cnoeabs.peaks (6.21, 3.69, 55.38 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.85: QD PHE 88 + HA LEU 21 OK 79 100 - 79 - 4741=38, 2.2/4779=18...(13) QE TYR 33 + HA LEU 21 OK 29 99 - 30 - 4778/4.0=7, 5160/4.3=6...(9) Peak 4781 from cnoeabs.peaks (8.22, 0.28, 26.05 ppm; 4.75 A): 4 out of 4 assignments used, quality = 0.92: H GLY 20 + QD1 LEU 21 OK 84 99 - 84 - 4750=33, 4751/2.1=20...(22) H SER 29 + QD1 LEU 21 OK 38 97 - 39 - 4.6/5103=13, 4774/2.1=5...(12) H GLU 87 + QD1 LEU 21 OK 17 68 - 25 - 4774/2.1=6, 6693/4.7=5...(7) H ASP 12 + QD1 LEU 21 OK 11 98 - 10 - 4774/2.1=2, 4773/3.1=1 Peak 4782 from cnoeabs.peaks (8.36, 0.28, 26.05 ppm; 5.18 A): 4 out of 4 assignments used, quality = 0.97: H ASN 52 + QD1 LEU 21 OK 65 99 - 66 - 4.1/5753=16...(17) H LYS 94 + QD1 LEU 21 OK 65 100 - 65 - 4.4/6847=19, 6856/2.1=16...(20) H GLY 64 + QD1 LEU 21 OK 53 65 - 81 - 3.0/5993=25, ~5994=18...(18) H LYS 35 + QD1 LEU 21 OK 49 96 - 52 - 4.3/4684=13, 4.2/5217=9...(15) Peak 4783 from cnoeabs.peaks (8.92, 0.28, 26.05 ppm; 4.28 A): 3 out of 5 assignments used, quality = 0.96: H ALA 66 + QD1 LEU 21 OK 78 100 - 79 - 3.0/4792=25, 6034=22...(15) H SER 96 + QD1 LEU 21 OK 60 97 - 62 - 6946=13, 6947/2.1=12...(15) H VAL 18 + QD1 LEU 21 OK 56 85 - 66 - 3.9/4811=15, 4707=14...(16) H PHE 97 - QD1 LEU 21 OK 16 60 - 27 - 4.6/6946=8, 6968/2.1=8...(7) H ASP 56 - QD1 LEU 21 lone 6 71 - 8 - 6034=1 Peak 4784 from cnoeabs.peaks (7.16, 0.28, 26.05 ppm; 5.06 A): 4 out of 5 assignments used, quality = 0.92: H GLU 65 + QD1 LEU 21 OK 63 89 - 71 - 3.0/6001=28, 3.6/5993=22...(11) QE PHE 97 + QD1 LEU 21 OK 49 100 - 49 - ~4765=16, ~6972=13...(10) QD TYR 54 + QD1 LEU 21 OK 40 97 - 42 - 4698/4792=15...(9) HZ PHE 97 + QD1 LEU 21 OK 28 97 - 28 - ~4768=8, 6980/2.1=7...(5) HH2 TRP 82 - QD1 LEU 21 lone 1 65 - 2 - Peak 4785 from cnoeabs.peaks (6.97, 0.28, 26.05 ppm; 4.64 A): 3 out of 8 assignments used, quality = 0.95: HZ PHE 88 + QD1 LEU 21 OK 79 99 - 80 - 4854/2.1=24, 4853/2.1=23...(20) QE PHE 88 + QD1 LEU 21 OK 65 76 - 86 - ~4778=21, ~4749=21...(23) QE PHE 70 + QD1 LEU 21 OK 37 100 - 37 - 2.2/7045=7, 4776/2.1=5...(13) QE PHE 83 - QD1 LEU 21 OK 35 96 - 37 - 4838=4, 4776/2.1=4...(15) HZ PHE 83 - QD1 LEU 21 OK 23 73 - 31 - 4776/2.1=5, 2.2/4838=4...(12) HE22 GLN 48 - QD1 LEU 21 OK 15 99 - 14 - 4776/2.1=2, 7051/4.0=2...(5) HD21 ASN 52 - QD1 LEU 21 OK 11 93 - 11 - 5.5/4782=5 HD21 ASN 24 - QD1 LEU 21 lone 3 76 - 3 - Peak 4786 from cnoeabs.peaks (6.87, 0.28, 26.05 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.98: QE PHE 34 + QD1 LEU 21 OK 88 100 - 89 - 4692/2.1=24, 4691=19...(29) HZ PHE 34 + QD1 LEU 21 OK 80 90 - 88 - 4777/2.1=20, 2.2/4691=17...(28) QE TYR 54 - QD1 LEU 21 OK 18 68 - 27 - 2.2/4784=7, 6043/4792=4...(8) Peak 4787 from cnoeabs.peaks (6.19, 0.28, 26.05 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.82: QD PHE 88 + QD1 LEU 21 OK 74 78 - 94 - 6723/2.1=22, ~6720=22...(28) QE TYR 33 + QD1 LEU 21 OK 33 68 - 48 - 5160/2.1=9, 4780/4.0=8...(18) Peak 4789 from cnoeabs.peaks (4.12, 3.69, 55.38 ppm; 4.83 A): 5 out of 8 assignments used, quality = 0.86: HA3 GLY 22 + HA LEU 21 OK 62 96 - 65 - 3.0/57=39, ~56=12...(6) HA VAL 25 + HA LEU 21 OK 30 60 - 49 - 3.2/4814=10, ~4901=9...(12) HB THR 67 + HA LEU 21 OK 20 85 - 24 - 6094/2.9=7, 6094/2.9=7...(4) HB THR 15 + HA LEU 21 OK 19 97 - 19 - 3.0/4555=8, ~4797=5...(5) HB2 SER 96 + HA LEU 21 OK 18 96 - 19 - 6950/4.0=10, 6939/4799=3...(5) HA THR 99 - HA LEU 21 lone 4 87 - 4 - HA GLU 23 - HA LEU 21 lone 3 99 - 3 - HA GLN 36 - HA LEU 21 lone 3 99 - 3 - Peak 4790 from cnoeabs.peaks (4.23, 1.16, 42.22 ppm; 4.74 A): 2 out of 12 assignments used, quality = 0.98: HA3 GLY 64 + HB2 LEU 21 OK 86 97 - 89 - 1.8/5984=20, 5996/3.1=18...(20) HA3 GLY 64 + HB3 LEU 21 OK 86 97 - 89 - 1.8/5984=20, 5996/3.1=18...(20) HA VAL 68 - HB2 LEU 21 OK 43 90 - 48 - 4793/3.1=6, ~909=6...(14) HA VAL 68 - HB3 LEU 21 OK 43 90 - 47 - 4793/3.1=6, ~909=6...(14) HA ILE 37 - HB2 LEU 21 OK 20 100 - 20 - 4793/3.1=3, 4835/4.6=2...(11) HA ILE 37 - HB3 LEU 21 OK 20 100 - 20 - 4793/3.1=3, 4835/4.6=2...(11) HA LYS 45 - HB3 LEU 21 OK 11 93 - 11 - 3.0/5546=3, ~5546=2...(4) HA LYS 45 - HB2 LEU 21 OK 11 93 - 11 - 3.0/5546=2, ~5546=2, 4793/3.1=1 HA TYR 33 - HB3 LEU 21 lone 2 60 - 4 - 1694/4746=1 HA TYR 33 - HB2 LEU 21 lone 2 60 - 4 - 1694/4746=1 HB THR 99 - HB2 LEU 21 lone 2 65 - 3 - HB THR 99 - HB3 LEU 21 lone 2 65 - 3 - Peak 4791 from cnoeabs.peaks (5.52, 0.28, 26.05 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.76: HA GLU 65 + QD1 LEU 21 OK 64 97 - 66 - 6001=32, 3.6/6034=13...(11) HA THR 15 + QD1 LEU 21 OK 33 93 - 36 - 3.6/623=5, 4797/4.7=5...(15) Peak 4792 from cnoeabs.peaks (5.60, 0.28, 26.05 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.76: HA ALA 66 + QD1 LEU 21 OK 76 97 - 79 - 2.1/4821=26, 6022=25...(15) Peak 4793 from cnoeabs.peaks (4.24, 0.28, 26.05 ppm; 5.29 A): 2 out of 7 assignments used, quality = 0.96: HA3 GLY 64 + QD1 LEU 21 OK 92 100 - 92 - 1.8/5993=30, 5996=24...(22) HA VAL 68 + QD1 LEU 21 OK 57 99 - 58 - 3.0/909=13, 3.6/317=10...(21) HA ALA 79 - QD1 LEU 21 OK 30 57 - 53 - 3.6/6497=16, ~6495=13...(10) HA3 GLY 85 - QD1 LEU 21 OK 27 71 - 38 - ~6649=8, 6656/2.1=6...(8) HA ILE 37 - QD1 LEU 21 OK 23 96 - 24 - 4790/3.1=2, 4790/3.1=2...(11) HA LYS 45 - QD1 LEU 21 lone 10 99 - 10 - ~5546=2, 4790/3.1=1, 4790/3.1=1 HA GLU 58 - QD1 LEU 21 lone 2 65 - 4 - Peak 4795 from cnoeabs.peaks (5.16, -0.19, 21.31 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.94: HA ILE 93 + QD2 LEU 21 OK 88 97 - 91 - 3.2/6848=34, 3.0/6843=27...(24) HA ILE 16 + QD2 LEU 21 OK 52 71 - 74 - 3.2/4586=15, 4.2/4597=14...(22) Peak 4799 from cnoeabs.peaks (2.89, 3.69, 55.38 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.76: HB3 PHE 88 + HA LEU 21 OK 59 83 - 72 - 2.5/4741=30, 6709=19...(11) HB3 PHE 97 + HA LEU 21 OK 40 99 - 41 - 6970/4.0=10, 6962/4.3=9...(9) HB2 ASN 91 - HA LEU 21 lone 6 85 - 7 - 6775/6835=2, 6779/2.9=2, ~6779=1 HB3 ASN 91 - HA LEU 21 lone 6 83 - 7 - 6775/6835=2, 6779/2.9=2, ~6779=1 HB2 ASN 24 - HA LEU 21 lone 2 85 - 2 - Peak 4800 from cnoeabs.peaks (2.16, 3.69, 55.38 ppm; 5.68 A): 4 out of 8 assignments used, quality = 0.85: HB2 PHE 88 + HA LEU 21 OK 72 85 - 85 - 2.5/4741=38, 1.8/6709=35...(12) HB3 PRO 92 + HA LEU 21 OK 25 97 - 26 - ~4375=4, 4373/2.9=4...(10) HG3 PRO 92 + HA LEU 21 OK 19 92 - 21 - 4375/2.9=5, ~4374=3...(8) HB2 PRO 73 + HA LEU 21 OK 14 100 - 13 - 2.3/6315=3, 2.3/6318=3 HB3 LYS 35 - HA LEU 21 lone 7 100 - 7 - 5230/6835=1, 4809/4.0=1 HG3 GLU 65 - HA LEU 21 lone 6 78 - 8 - ~6697=4, ~4801=2 HB3 GLU 58 - HA LEU 21 lone 3 100 - 3 - HB2 GLU 58 - HA LEU 21 lone 2 65 - 3 - Peak 4801 from cnoeabs.peaks (1.99, 1.15, 42.22 ppm; 4.65 A): 2 out of 18 assignments used, quality = 1.00: HB VAL 25 + HB3 LEU 21 OK 94 100 - 94 - ~4912=20, 2.1/4901=20...(27) HB VAL 25 + HB2 LEU 21 OK 94 100 - 94 - ~4912=20, 2.1/4901=20...(27) HB2 GLU 65 - HB3 LEU 21 OK 34 95 - 36 - ~6001=12, ~4791=12...(7) HB2 GLU 65 - HB2 LEU 21 OK 34 94 - 36 - ~6001=12, ~4791=12...(7) HB2 LYS 77 - HB3 LEU 21 OK 33 96 - 34 - ~6421=7, 4909/3.1=6...(9) HB2 LYS 77 - HB2 LEU 21 OK 33 95 - 34 - ~6421=7, 4909/3.1=6...(9) HG2 PRO 49 - HB3 LEU 21 OK 14 95 - 15 - 4810/3.1=2, 4805/3.1=2...(6) HG2 PRO 49 - HB2 LEU 21 OK 14 94 - 15 - 4810/3.1=2, 4805/3.1=2...(6) HG2 GLN 19 - HB3 LEU 21 OK 14 92 - 15 - 4810/3.1=4, ~4811=3...(5) HG2 GLN 19 - HB2 LEU 21 OK 14 92 - 15 - 4810/3.1=4, ~4811=3...(5) HB2 GLU 23 - HB3 LEU 21 OK 12 92 - 13 - 4827/4.6=6, 4829/4830=1 HB2 GLU 23 - HB2 LEU 21 OK 12 92 - 13 - 4827/4.6=6, 4829/4830=1 HB3 GLU 28 - HB3 LEU 21 OK 11 96 - 12 - 3.7/92=3, 4.4/4773=2...(4) HB3 GLU 28 - HB2 LEU 21 OK 11 95 - 12 - 3.7/92=3, 4.4/4773=2...(4) HG3 PRO 74 - HB3 LEU 21 OK 10 99 - 10 - ~1460=2, 4810/3.1=2...(5) HG3 PRO 74 - HB2 LEU 21 OK 10 99 - 10 - ~1460=2, 4810/3.1=2...(5) HB3 GLN 36 - HB2 LEU 21 lone 4 71 - 6 - HB3 GLN 36 - HB3 LEU 21 lone 4 71 - 5 - Peak 4803 from cnoeabs.peaks (2.87, -0.19, 21.31 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.94: HB3 PHE 88 + QD2 LEU 21 OK 85 100 - 85 - 6719=31, 2.5/4749=26...(16) HB3 PHE 97 + QD2 LEU 21 OK 61 93 - 65 - 2.4/4765=15, 1.8/6969=13...(16) Peak 4804 from cnoeabs.peaks (2.18, -0.19, 21.31 ppm; 4.28 A): 2 out of 10 assignments used, quality = 0.96: HB2 PHE 88 + QD2 LEU 21 OK 84 100 - 85 - 6720=31, 2.5/4749=26...(18) HB VAL 30 + QD2 LEU 21 OK 72 90 - 79 - 2.1/5108=24, 2.1/5111=19...(21) HB3 PRO 92 - QD2 LEU 21 OK 18 99 - 18 - 4.1/1466=5, 4800/4.0=2...(7) HG2 GLU 65 - QD2 LEU 21 OK 15 90 - 16 - 4809/2.1=4, 3.0/4805=4...(5) HG3 PRO 92 - QD2 LEU 21 OK 14 100 - 14 - 4375/4.7=3, 4800/4.0=2...(7) HB3 GLN 48 - QD2 LEU 21 OK 13 85 - 14 - 1.8/4806=3, ~5616=2...(7) HG3 GLU 87 - QD2 LEU 21 poor 10 81 - 12 - 1.8/4806=3, 4363/6712=2...(5) HB2 PRO 73 - QD2 LEU 21 lone 6 95 - 6 - 3.8/1467=2, 4800/4.0=1 HB3 LYS 35 - QD2 LEU 21 lone 6 90 - 6 - 5230/4820=1, 4809/2.1=1 HB3 GLU 58 - QD2 LEU 21 lone 2 83 - 2 - Peak 4805 from cnoeabs.peaks (1.99, -0.19, 21.31 ppm; 5.21 A): 3 out of 9 assignments used, quality = 0.99: HB VAL 25 + QD2 LEU 21 OK 94 100 - 95 - 2.1/4912=35, ~4911=28...(21) HB2 LYS 77 + QD2 LEU 21 OK 59 96 - 61 - 1.8/6421=15, 3.0/6420=13...(13) HB2 GLU 65 + QD2 LEU 21 OK 48 95 - 51 - ~6001=20, ~4791=19...(9) HG2 GLN 19 - QD2 LEU 21 OK 28 92 - 31 - 5.2/4729=12, 4810/2.1=5...(8) HG2 PRO 49 - QD2 LEU 21 OK 23 95 - 24 - 4810/2.1=3, 2.3/1467=3...(12) HG3 PRO 74 - QD2 LEU 21 OK 15 99 - 15 - 2.3/1467=3, ~1474=2...(4) HB2 GLU 23 - QD2 LEU 21 lone 9 92 - 10 - 4827/61=3, 4810/2.1=1 HB3 GLU 28 - QD2 LEU 21 lone 9 96 - 9 - 4810/2.1=2 HB3 GLN 36 - QD2 LEU 21 lone 5 71 - 7 - Peak 4806 from cnoeabs.peaks (1.79, -0.19, 21.31 ppm; 5.07 A): 4 out of 6 assignments used, quality = 0.93: HB ILE 93 + QD2 LEU 21 OK 89 93 - 95 - 2.1/6848=35, 6843=31...(20) HB2 GLN 48 + QD2 LEU 21 OK 17 96 - 17 - 5612/6911=3, 1.8/4804=3...(7) HG2 GLU 87 + QD2 LEU 21 OK 16 99 - 16 - 6696/4.7=5, 4362/6712=5...(5) HG LEU 62 + QD2 LEU 21 OK 14 89 - 16 - 2.1/5108=3, ~5107=2...(6) HB2 LYS 94 - QD2 LEU 21 poor 9 63 - 14 - ~6858=6, 4720/4717=3...(4) HB ILE 39 - QD2 LEU 21 lone 2 63 - 3 - Peak 4807 from cnoeabs.peaks (1.64, -0.19, 21.31 ppm; 4.93 A): 2 out of 8 assignments used, quality = 0.98: HB VAL 18 + QD2 LEU 21 OK 95 100 - 95 - 2.1/4717=37, 4713=33...(20) HG12 ILE 40 + QD2 LEU 21 OK 52 100 - 52 - ~5454=11, 4811/2.1=10...(12) HG3 GLN 19 - QD2 LEU 21 OK 26 98 - 26 - 5.2/4729=11, 4811/2.1=5...(5) HG12 ILE 27 - QD2 LEU 21 OK 21 83 - 25 - ~4821=7, 4811/2.1=4...(5) HB2 MET 50 - QD2 LEU 21 OK 15 96 - 15 - 4811/2.1=3, 5677/5105=2 HD3 LYS 41 - QD2 LEU 21 lone 8 96 - 8 - 4811/2.1=1, ~4811=1 HD2 LYS 41 - QD2 LEU 21 lone 8 96 - 8 - 4811/2.1=1, ~4811=1 HB3 LYS 61 - QD2 LEU 21 lone 2 83 - 3 - Peak 4808 from cnoeabs.peaks (3.76, 0.28, 26.05 ppm; 4.18 A): 3 out of 8 assignments used, quality = 0.97: HA VAL 30 + QD1 LEU 21 OK 73 92 - 80 - 3.2/5107=16, 5104=15...(25) HA2 GLY 64 + QD1 LEU 21 OK 69 89 - 78 - 5993=18, 5994/2.1=16...(17) HA2 GLY 22 + QD1 LEU 21 OK 59 93 - 63 - 3.0/62=17, ~60=14...(12) HA2 GLY 20 - QD1 LEU 21 OK 37 71 - 52 - 2.9/4750=17, 3.6/654=16...(8) HA LYS 77 - QD1 LEU 21 OK 20 57 - 34 - 6420/2.1=6, ~6421=6...(10) HA ILE 40 - QD1 LEU 21 OK 15 57 - 26 - 4.2/5454=8, 3.2/5450=7...(5) HA2 GLY 60 - QD1 LEU 21 lone 5 100 - 4 - HB3 SER 11 - QD1 LEU 21 lone 2 65 - 2 - 4.6/4781=1 Peak 4809 from cnoeabs.peaks (2.18, 0.28, 26.05 ppm; 5.20 A): 3 out of 10 assignments used, quality = 0.99: HB2 PHE 88 + QD1 LEU 21 OK 92 100 - 92 - 6720/2.1=30, 2.5/4787=24...(20) HB VAL 30 + QD1 LEU 21 OK 82 90 - 91 - 2.1/5107=21, ~5108=21...(26) HG2 GLU 65 + QD1 LEU 21 OK 50 90 - 55 - 3.9/6001=25, 5.0/6034=14...(11) HB3 PRO 92 - QD1 LEU 21 OK 26 99 - 27 - 4.1/1473=7, 4804/2.1=3...(8) HG3 PRO 92 - QD1 LEU 21 OK 20 100 - 20 - 4375/4.7=4, 2.3/5106=3...(7) HB3 GLN 48 - QD1 LEU 21 OK 19 85 - 22 - ~4806=4, 4804/2.1=3...(8) HB3 LYS 35 - QD1 LEU 21 OK 14 90 - 16 - 3.8/4782=6, 5230/5454=2 HG3 GLU 87 - QD1 LEU 21 OK 14 81 - 18 - ~4806=3, 5.0/4781=3...(5) HB2 PRO 73 - QD1 LEU 21 lone 9 95 - 9 - 3.8/1474=3, 4800/4.0=2 HB3 GLU 58 - QD1 LEU 21 lone 3 83 - 3 - Peak 4810 from cnoeabs.peaks (1.99, 0.28, 26.05 ppm; 4.60 A): 2 out of 9 assignments used, quality = 0.96: HB VAL 25 + QD1 LEU 21 OK 91 99 - 92 - 2.1/4911=33, ~4912=26...(20) HB2 GLU 65 + QD1 LEU 21 OK 51 98 - 52 - 3.0/6001=24, 4.4/6034=13...(11) HB2 LYS 77 - QD1 LEU 21 OK 42 99 - 42 - ~6421=9, 4908=8, ~6420=7...(10) HG2 GLN 19 - QD1 LEU 21 OK 31 97 - 32 - 5.2/4728=8, 4738/6001=7...(7) HG2 PRO 49 - QD1 LEU 21 OK 21 89 - 24 - 2.3/1474=3, 5644/5454=2...(8) HB3 GLU 28 - QD1 LEU 21 OK 15 99 - 15 - 4.4/4781=6, 4983/4821=1 HG3 PRO 74 - QD1 LEU 21 OK 13 100 - 13 - 2.3/1474=3, ~1467=2...(4) HB2 GLU 23 - QD1 LEU 21 lone 7 85 - 8 - 4827/62=2 HB3 GLN 36 - QD1 LEU 21 lone 3 60 - 5 - Peak 4811 from cnoeabs.peaks (1.63, 0.28, 26.05 ppm; 3.65 A): 4 out of 8 assignments used, quality = 0.92: HB VAL 18 + QD1 LEU 21 OK 84 100 - 84 - 4712=22, 2.1/4716=17...(20) HG12 ILE 40 + QD1 LEU 21 OK 33 99 - 33 - 2.1/5454=10, 3.2/5450=5...(8) HG3 GLN 19 + QD1 LEU 21 OK 17 95 - 18 - 5.2/4728=5, 1.8/4810=3...(7) HG12 ILE 27 + QD1 LEU 21 OK 13 73 - 18 - 2.1/4821=7, 1.8/1475=4...(4) HB2 MET 50 - QD1 LEU 21 poor 10 90 - 11 - 5699/317=2, 4807/2.1=1 HD3 LYS 41 - QD1 LEU 21 lone 5 99 - 5 - HD2 LYS 41 - QD1 LEU 21 lone 5 99 - 5 - HB3 LYS 61 - QD1 LEU 21 lone 2 73 - 2 - Peak 4814 from cnoeabs.peaks (0.82, 3.69, 55.38 ppm; 4.04 A): 7 out of 8 assignments used, quality = 0.95: QG2 VAL 25 + HA LEU 21 OK 64 99 - 64 - 4913/4.0=13, 4914/4.0=12...(15) QG1 VAL 30 + HA LEU 21 OK 36 89 - 41 - 5111/4.0=10, 5109/4.0=9...(12) QG2 ILE 16 + HA LEU 21 OK 35 99 - 35 - 4586/4.0=9, 1302/4.0=6...(13) QG2 VAL 30 + HA LEU 21 OK 30 76 - 39 - 5108/4.0=10, 5107/4.0=9...(13) QG2 ILE 80 + HA LEU 21 OK 26 83 - 31 - 3.0/1443=8, 3372/4.0=7...(10) QG2 ILE 40 + HA LEU 21 OK 26 99 - 26 - 5450/4.0=6, 4826/3.6=4...(10) QD2 LEU 62 + HA LEU 21 OK 11 93 - 12 - 4258/3.6=4, 4822/4.0=1...(4) QG2 ILE 37 - HA LEU 21 poor 9 71 - 13 - 4586/4.0=2, 4813/2.9=2...(5) Peak 4815 from cnoeabs.peaks (0.71, 3.69, 55.38 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.86: QG2 ILE 93 + HA LEU 21 OK 77 99 - 78 - 6835=35, 6848/4.0=20...(19) QG2 ILE 51 + HA LEU 21 OK 40 100 - 40 - 5753/4.0=11, 5735/2.9=7...(11) Peak 4816 from cnoeabs.peaks (0.81, 1.16, 42.22 ppm; 3.66 A): 4 out of 16 assignments used, quality = 1.00: QG2 VAL 25 + HB2 LEU 21 OK 85 100 - 85 - 2.1/4901=16, 4913/3.1=14...(24) QG2 VAL 25 + HB3 LEU 21 OK 85 100 - 85 - 2.1/4901=16, 4913/3.1=14...(24) QG1 VAL 25 + HB2 LEU 21 OK 64 76 - 85 - 4912/3.1=16, 4911/3.1=15...(31) QG1 VAL 25 + HB3 LEU 21 OK 64 76 - 85 - 4912/3.1=16, 4911/3.1=15...(31) QD1 ILE 93 - HB2 LEU 21 OK 44 65 - 67 - 6850/3.1=10, 6851/3.0=9...(19) QD1 ILE 93 - HB3 LEU 21 OK 44 65 - 67 - 6850/3.1=10, 6851/3.0=9...(19) QG2 ILE 16 - HB2 LEU 21 OK 42 92 - 46 - 4586/3.1=9, 1302/3.1=6...(14) QG2 ILE 16 - HB3 LEU 21 OK 42 92 - 46 - 4586/3.1=9, 1302/3.1=6...(14) QG1 VAL 30 - HB2 LEU 21 OK 41 68 - 60 - ~5108=8, 4913/3.1=7...(20) QG1 VAL 30 - HB3 LEU 21 OK 41 68 - 60 - ~5108=8, 4913/3.1=7...(20) QG2 ILE 40 - HB2 LEU 21 OK 32 100 - 32 - 5450/3.1=6, ~5454=3...(14) QG2 ILE 40 - HB3 LEU 21 OK 32 100 - 32 - 5450/3.1=6, ~5454=3...(13) QG2 ILE 80 - HB2 LEU 21 OK 17 60 - 27 - 3372/3.1=5, ~3358=3...(10) QG2 ILE 80 - HB3 LEU 21 OK 16 60 - 27 - 3372/3.1=5, ~3358=3...(10) QD2 LEU 62 - HB2 LEU 21 poor 9 76 - 11 - 4258/4.6=2, 4822/3.1=1...(4) QD2 LEU 62 - HB3 LEU 21 poor 9 76 - 11 - 4258/4.6=2, 4822/3.1=1...(4) Peak 4817 from cnoeabs.peaks (0.83, 1.10, 26.05 ppm; 3.69 A): 4 out of 8 assignments used, quality = 0.98: QG2 VAL 25 + HG LEU 21 OK 75 97 - 77 - 4913/2.1=18, ~4912=17...(18) QG1 VAL 30 + HG LEU 21 OK 65 95 - 69 - 5111/2.1=14, 5109/2.1=14...(19) QG2 VAL 30 + HG LEU 21 OK 60 85 - 70 - 5108/2.1=15, 5107/2.1=14...(20) QG2 ILE 16 + HG LEU 21 OK 52 100 - 52 - 4586/2.1=12, 1302/2.1=9...(13) QG2 ILE 80 - HG LEU 21 OK 37 90 - 41 - 3372/2.1=10, 3.2/6500=8...(11) QG2 ILE 40 - HG LEU 21 OK 32 96 - 34 - 5450/2.1=7, 3.3/4818=5...(12) QG2 ILE 37 - HG LEU 21 OK 14 81 - 17 - 4586/2.1=2, 4822/2.1=2...(6) QD2 LEU 62 - HG LEU 21 OK 11 97 - 11 - 4822/2.1=2, 5108/2.1=2...(4) Peak 4818 from cnoeabs.peaks (0.74, 1.10, 26.05 ppm; 4.74 A): 3 out of 3 assignments used, quality = 0.96: QG2 ILE 93 + HG LEU 21 OK 82 87 - 95 - 6848/2.1=30, 2.1/6845=21...(24) QG2 ILE 51 + HG LEU 21 OK 53 81 - 66 - 4823/2.1=16, 4820/2.1=15...(14) QD1 ILE 40 + HG LEU 21 OK 49 97 - 50 - 5454/2.1=14, 4820/2.1=9...(12) Peak 4819 from cnoeabs.peaks (0.84, -0.19, 21.31 ppm; 2.88 A): 5 out of 8 assignments used, quality = 0.97: QG2 VAL 30 + QD2 LEU 21 OK 58 97 - 59 - 5108=12, 5107/2.1=11...(21) QG1 VAL 30 + QD2 LEU 21 OK 57 100 - 57 - 2.1/5108=11, 5109/2.1=10...(19) QG2 VAL 25 + QD2 LEU 21 OK 50 85 - 59 - 2.1/4912=14, 4913/2.1=10...(16) QG2 ILE 16 + QD2 LEU 21 OK 41 99 - 41 - 4586=9, 1302/2.1=6...(13) QG2 ILE 80 + QD2 LEU 21 OK 38 99 - 39 - 3372=13, 3.2/3358=5...(11) QG2 ILE 40 - QD2 LEU 21 OK 18 81 - 22 - 3.3/4820=3, 5450/2.1=3...(9) QG2 ILE 37 - QD2 LEU 21 OK 14 96 - 15 - 4586=2, 4822/2.1=1 QD2 LEU 62 - QD2 LEU 21 OK 10 100 - 10 - 5107/2.1=1, 5108=1, 5052/5824=1 Peak 4820 from cnoeabs.peaks (0.73, -0.19, 21.31 ppm; 3.16 A): 3 out of 3 assignments used, quality = 0.91: QG2 ILE 93 + QD2 LEU 21 OK 77 97 - 80 - 6848=33, 6846/2.1=13...(26) QG2 ILE 51 + QD2 LEU 21 OK 45 93 - 49 - 5753/2.1=12, 5751/5824=4...(18) QD1 ILE 40 + QD2 LEU 21 OK 26 89 - 29 - 5454/2.1=6, 4818/2.1=4...(9) Peak 4821 from cnoeabs.peaks (0.96, 0.28, 26.05 ppm; 3.05 A): 3 out of 3 assignments used, quality = 0.78: QB ALA 66 + QD1 LEU 21 OK 58 100 - 58 - 6029=22, 2.1/4792=11...(10) QG1 VAL 95 + QD1 LEU 21 OK 34 85 - 40 - 6029=8, 2.1/6909=5...(14) QD1 ILE 27 + QD1 LEU 21 OK 19 95 - 20 - 4980/4824=6, 2.1/1476=3 Peak 4822 from cnoeabs.peaks (0.83, 0.28, 26.05 ppm; 2.68 A): 4 out of 8 assignments used, quality = 0.93: QG2 VAL 25 + QD1 LEU 21 OK 57 97 - 59 - 4913=14, 2.1/4911=14...(16) QG1 VAL 30 + QD1 LEU 21 OK 51 95 - 54 - 5109=13, 2.1/5107=10...(18) QG2 VAL 30 + QD1 LEU 21 OK 45 85 - 53 - 5107=10, 2.1/5109=9...(15) QG2 ILE 16 + QD1 LEU 21 OK 37 100 - 37 - 4586/2.1=7, 1302=5...(12) QG2 ILE 80 - QD1 LEU 21 OK 23 90 - 25 - 3372/2.1=6, 4.0/6497=3...(8) QG2 ILE 40 - QD1 LEU 21 OK 21 96 - 22 - 3.3/5454=4, 3.2/4811=3...(9) QD2 LEU 62 - QD1 LEU 21 OK 11 97 - 11 - 5052/4824=2, 5107=1 QG2 ILE 37 - QD1 LEU 21 poor 10 81 - 12 - 4819/2.1=1 Peak 4823 from cnoeabs.peaks (0.73, 0.28, 26.05 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.98: QG2 ILE 93 + QD1 LEU 21 OK 89 99 - 90 - 6848/2.1=32, 6846/2.1=20...(30) QG2 ILE 51 + QD1 LEU 21 OK 78 97 - 80 - 5753=19, 5751/4824=14...(26) QD1 ILE 40 - QD1 LEU 21 OK 42 81 - 52 - 5454=11, 4820/2.1=8...(17) Peak 4824 from cnoeabs.peaks (0.62, 0.28, 26.05 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 53 + QD1 LEU 21 OK 76 98 - 78 - 5823=28, 5824/2.1=16...(23) Peak 4825 from cnoeabs.peaks (0.08, 0.28, 26.05 ppm; 4.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4828 from cnoeabs.peaks (2.24, 3.77, 43.68 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.86: HG3 GLU 23 + HA2 GLY 22 OK 78 90 - 86 - 663/3.6=29, 4832/1.8=22...(11) HG2 GLU 58 + HA2 GLY 22 OK 27 100 - 27 - 663/3.6=8, 4832/1.8=7...(8) HB2 PRO 49 + HA2 GLY 22 OK 16 90 - 18 - 4832/1.8=4, 2.3/4829=4...(7) HG2 GLU 28 - HA2 GLY 22 poor 7 65 - 11 - 4832/1.8=3, 663/3.6=2...(5) Peak 4829 from cnoeabs.peaks (2.00, 3.77, 43.68 ppm; 5.11 A): 2 out of 12 assignments used, quality = 0.95: HB2 GLU 23 + HA2 GLY 22 OK 88 100 - 88 - 4.0/64=31, 1.8/4856=24...(11) HB VAL 25 + HA2 GLY 22 OK 56 97 - 58 - 2.1/4831=11, 2.1/4831=11...(13) HG2 PRO 49 - HA2 GLY 22 OK 20 100 - 20 - 2.3/4828=5, 4833/1.8=4...(7) HB2 LYS 77 - HA2 GLY 22 poor 9 68 - 13 - 4827/3.0=3, 4833/1.8=2...(5) HB3 GLN 36 - HA2 GLY 22 lone 9 97 - 9 - 4833/1.8=2, 3.0/4855=1...(5) HB3 GLU 28 - HA2 GLY 22 poor 8 68 - 12 - 4827/3.0=3, 3.0/4828=2...(6) HB2 GLU 65 - HA2 GLY 22 lone 5 65 - 7 - 4827/3.0=3 HG3 PRO 74 - HA2 GLY 22 lone 4 83 - 5 - 4827/3.0=1 HB3 MET 50 - HA2 GLY 22 lone 4 73 - 6 - HG2 PRO 92 - HA2 GLY 22 lone 4 78 - 5 - HG2 GLN 19 - HA2 GLY 22 lone 3 60 - 5 - 4827/3.0=2 QE MET 50 - HA2 GLY 22 lone 3 63 - 4 - Peak 4830 from cnoeabs.peaks (1.15, 3.77, 43.68 ppm; 5.48 A): 2 out of 6 assignments used, quality = 0.99: HB3 LEU 21 + HA2 GLY 22 OK 91 100 - 91 - 4.6/656=34, ~57=26...(17) HB2 LEU 21 + HA2 GLY 22 OK 91 100 - 91 - 4.6/656=34, ~57=26...(17) HG13 ILE 37 - HA2 GLY 22 OK 11 68 - 15 - 4.0/4836=5, 5322/3.6=3...(4) HG13 ILE 27 - HA2 GLY 22 OK 10 99 - 10 - ~4932=3, 59/3.0=2 QG2 THR 15 - HA2 GLY 22 lone 8 100 - 8 - 59/3.0=2, 4547/3.6=1 QG2 THR 46 - HA2 GLY 22 lone 2 73 - 2 - Peak 4831 from cnoeabs.peaks (0.81, 3.77, 43.68 ppm; 5.05 A): 5 out of 5 assignments used, quality = 0.94: QG1 VAL 25 + HA2 GLY 22 OK 58 95 - 62 - 4880/3.0=13, 4859/3.6=11...(16) QG2 VAL 25 + HA2 GLY 22 OK 58 95 - 62 - 4826/3.0=10, 4859/3.6=10...(16) QG2 ILE 40 + HA2 GLY 22 OK 43 97 - 45 - 4859/3.6=7, 5414/1.8=7...(15) QD1 ILE 93 + HA2 GLY 22 OK 28 89 - 32 - 6806/3.0=8, ~6801=6...(7) QG2 ILE 16 + HA2 GLY 22 OK 11 71 - 16 - 4826/3.0=3, 4859/3.6=2...(4) Peak 4832 from cnoeabs.peaks (2.25, 4.11, 43.68 ppm; 5.52 A): 3 out of 5 assignments used, quality = 0.90: HG3 GLU 23 + HA3 GLY 22 OK 84 99 - 85 - 663/3.6=33, 4828/1.8=25...(10) HG2 GLU 58 + HA3 GLY 22 OK 25 99 - 25 - 663/3.6=9, 4828/1.8=9...(6) HB2 PRO 49 + HA3 GLY 22 OK 14 71 - 20 - 4828/1.8=5, 2.3/4833=4...(5) HG2 GLU 28 - HA3 GLY 22 poor 10 87 - 11 - 4828/1.8=2, 663/3.6=2...(5) HG2 MET 50 - HA3 GLY 22 lone 4 60 - 6 - 663/3.6=1 Peak 4833 from cnoeabs.peaks (2.00, 4.11, 43.68 ppm; 4.87 A): 3 out of 12 assignments used, quality = 0.93: HB2 GLU 23 + HA3 GLY 22 OK 84 100 - 84 - 660/3.6=28, ~4856=17...(11) HB VAL 25 + HA3 GLY 22 OK 48 97 - 50 - 4829/1.8=10, ~4880=9...(10) HG2 PRO 49 + HA3 GLY 22 OK 18 100 - 17 - 4829/1.8=4, ~4828=3...(7) HB3 GLU 28 - HA3 GLY 22 poor 7 68 - 10 - 4827/3.0=2, 3.0/4832=2...(6) HB3 GLN 36 - HA3 GLY 22 lone 7 97 - 7 - 4829/1.8=2, 660/3.6=1 HB2 LYS 77 - HA3 GLY 22 lone 7 68 - 10 - 4827/3.0=3, 4829/1.8=2...(4) HB3 MET 50 - HA3 GLY 22 lone 4 73 - 5 - HG3 PRO 74 - HA3 GLY 22 lone 4 83 - 4 - HB2 GLU 65 - HA3 GLY 22 lone 4 65 - 5 - 4827/3.0=2 HG2 PRO 92 - HA3 GLY 22 lone 3 78 - 4 - QE MET 50 - HA3 GLY 22 lone 2 63 - 4 - HG2 GLN 19 - HA3 GLY 22 lone 2 60 - 3 - 4827/3.0=1 Peak 4834 from cnoeabs.peaks (0.82, 4.11, 43.68 ppm; 5.09 A): 4 out of 9 assignments used, quality = 0.93: QG2 VAL 25 + HA3 GLY 22 OK 62 100 - 62 - 4831/1.8=10, 4826/3.0=10...(12) QG2 ILE 40 + HA3 GLY 22 OK 47 100 - 47 - 4831/1.8=8, 5414=7...(13) QG1 VAL 25 + HA3 GLY 22 OK 40 68 - 59 - 4831/1.8=10, 2.1/4833=10...(12) QD2 LEU 62 + HA3 GLY 22 OK 38 83 - 47 - 3.1/5952=9, 3.1/5949=9...(9) QD1 ILE 93 - HA3 GLY 22 OK 18 57 - 31 - ~6801=7, ~6811=6...(7) QG2 ILE 80 - HA3 GLY 22 OK 18 68 - 26 - ~61=7, 3.0/6529=6...(5) QG2 ILE 16 - HA3 GLY 22 OK 16 96 - 17 - 4826/3.0=3, ~62=2...(5) QG1 VAL 30 - HA3 GLY 22 OK 10 76 - 14 - 4826/3.0=3, ~1660=2...(4) QG2 VAL 30 - HA3 GLY 22 poor 8 60 - 13 - ~4826=2, ~1665=2...(4) Peak 4836 from cnoeabs.peaks (4.23, 3.77, 43.68 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.56: HA3 GLY 64 + HA2 GLY 22 OK 37 96 - 39 - 4835/3.0=15, ~5979=10...(7) HA VAL 68 + HA2 GLY 22 OK 22 87 - 25 - 4835/3.0=7, 3.2/6147=5...(7) HA ILE 37 + HA2 GLY 22 OK 11 100 - 11 - 3.6/4843=5, 4835/3.0=3 HA TYR 33 - HA2 GLY 22 lone 5 65 - 8 - ~1085=1, ~4118=1, ~4117=1 HA LYS 45 - HA2 GLY 22 lone 3 90 - 3 - HB THR 99 - HA2 GLY 22 lone 2 71 - 2 - Peak 4842 from cnoeabs.peaks (7.04, 3.77, 43.68 ppm; 5.35 A): 2 out of 6 assignments used, quality = 0.85: HD22 ASN 91 + HA2 GLY 22 OK 81 97 - 84 - 6768/1.8=30, 6782/3.0=27...(10) QD PHE 70 + HA2 GLY 22 OK 20 99 - 21 - 4844/1.8=5, 4859=5...(8) HZ3 TRP 82 - HA2 GLY 22 lone 8 99 - 7 - 4844/1.8=3, 4.3/4843=2 HZ PHE 17 - HA2 GLY 22 lone 6 98 - 6 - 4844/1.8=2 HD21 ASN 13 - HA2 GLY 22 lone 5 73 - 7 - 4844/1.8=2, 4507/4843=1 QE PHE 17 - HA2 GLY 22 lone 3 60 - 4 - ~4844=2, 4844/1.8=1 Peak 4843 from cnoeabs.peaks (7.35, 3.77, 43.68 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.92: HD21 ASN 91 + HA2 GLY 22 OK 84 99 - 85 - 6774/1.8=27, 1.7/4842=27...(10) QD PHE 97 + HA2 GLY 22 OK 32 87 - 36 - 4845/1.8=9, 4841/3.0=8...(7) H GLY 38 + HA2 GLY 22 OK 28 93 - 30 - 4845/1.8=7, 4841/3.0=7...(6) HZ2 TRP 82 - HA2 GLY 22 lone 8 96 - 8 - 4845/1.8=2, 4.3/4842=2 Peak 4844 from cnoeabs.peaks (7.04, 4.11, 43.68 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.85: HD22 ASN 91 + HA3 GLY 22 OK 82 97 - 85 - 6768=30, 6782/3.0=28...(8) QD PHE 70 + HA3 GLY 22 OK 16 99 - 17 - 4842/1.8=7, 5391/4834=1...(6) HZ3 TRP 82 - HA3 GLY 22 lone 8 99 - 8 - 4842/1.8=3, 4.3/4845=2 HD21 ASN 13 - HA3 GLY 22 poor 8 73 - 10 - 3.5/4872=2, 4842/1.8=2...(4) HZ PHE 17 - HA3 GLY 22 lone 6 98 - 6 - 4842/1.8=2 QE PHE 17 - HA3 GLY 22 lone 3 60 - 5 - ~4842=1 Peak 4845 from cnoeabs.peaks (7.35, 4.11, 43.68 ppm; 5.42 A): 3 out of 4 assignments used, quality = 0.92: HD21 ASN 91 + HA3 GLY 22 OK 83 99 - 85 - 1.7/6768=30, 6774=29...(8) QD PHE 97 + HA3 GLY 22 OK 32 87 - 37 - 4843/1.8=9, 4841/3.0=8...(9) H GLY 38 + HA3 GLY 22 OK 25 93 - 27 - 4843/1.8=8, 4841/3.0=7...(4) HZ2 TRP 82 - HA3 GLY 22 lone 9 96 - 9 - 4843/1.8=2, 4.3/4844=2 Peak 4848 from cnoeabs.peaks (8.38, 4.11, 43.68 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.69: H ASN 24 + HA3 GLY 22 OK 64 97 - 66 - 1075/3.6=35, 4873/1.8=27...(7) H ASN 14 + HA3 GLY 22 OK 15 97 - 15 - 1075/3.6=5, 4538=5...(4) H LYS 94 - HA3 GLY 22 poor 8 68 - 11 - 4847/3.0=7, 6859/1.8=2 H ASN 52 - HA3 GLY 22 lone 6 92 - 7 - 4847/3.0=2, 1075/3.6=1 Peak 4852 from cnoeabs.peaks (8.76, 4.11, 56.91 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.64: H LEU 62 + HA GLU 23 OK 57 97 - 59 - 4.5/4862=20, 5946=18...(6) H LEU 62 + HA GLN 36 OK 15 51 - 30 - 5946=9, 3.6/5949=7...(6) Peak 4853 from cnoeabs.peaks (6.84, 4.11, 56.91 ppm; 4.54 A): 2 out of 6 assignments used, quality = 0.70: H VAL 25 + HA GLU 23 OK 66 100 - 66 - 1076/3.6=30, 4851/3.0=19...(10) QE TYR 54 + HA GLU 23 OK 11 100 - 11 - 4851/3.0=4, 1076/3.6=4 HZ PHE 70 - HA GLU 23 lone 8 83 - 9 - 4851/3.0=3, 1076/3.6=2 H VAL 25 - HA GLN 36 lone 5 55 - 8 - 5963/4862=2 HZ PHE 70 - HA GLN 36 lone 4 40 - 10 - ~5253=3, ~5258=2, ~5257=2 QE TYR 54 - HA GLN 36 lone 1 54 - 2 - Peak 4855 from cnoeabs.peaks (3.76, 4.11, 56.91 ppm; 4.66 A): 2 out of 14 assignments used, quality = 0.81: HA2 GLY 22 + HA GLU 23 OK 78 90 - 87 - 64/3.0=31, ~4077=21...(13) HA VAL 30 + HA GLU 23 OK 11 95 - 11 - 4857/3.8=2, 4858/3.8=1 HA2 GLY 64 - HA GLU 23 lone 9 92 - 10 - 4857/3.8=2, 5992/4863=2...(4) HA2 GLY 60 - HA GLU 23 lone 9 99 - 9 - 4857/3.8=2, 4856/3.0=2...(4) HA VAL 30 - HA GLN 36 poor 9 48 - 18 - 4424/2.9=5, 3.2/5049=3...(6) HA2 GLY 22 - HA GLN 36 poor 5 45 - 10 - 4836/4.7=3, ~1170=2, 4829/3.0=1 HA2 GLY 64 - HA GLN 36 lone 3 46 - 6 - ~132=2, ~7036=1, 3.0/5262=1 HB THR 42 - HA GLU 23 lone 2 63 - 4 - HA2 GLY 20 - HA GLU 23 lone 2 76 - 3 - HB3 SER 11 - HA GLU 23 lone 2 60 - 3 - HA2 GLY 20 - HA GLN 36 lone 1 35 - 3 - HA2 GLY 60 - HA GLN 36 lone 1 53 - 2 - HB THR 42 - HA GLN 36 lone 1 28 - 3 - HB3 SER 11 - HA GLN 36 lone 0 27 - 1 - Peak 4856 from cnoeabs.peaks (3.77, 2.06, 30.22 ppm; 4.90 A): 2 out of 9 assignments used, quality = 0.88: HA2 GLY 22 + HB3 GLU 23 OK 85 100 - 85 - 3.6/661=38, 4855/3.0=18...(11) HA ILE 40 + HB3 GLU 23 OK 23 85 - 27 - 64/4.0=4, 4873/4.1=4...(11) HA2 GLY 60 - HB3 GLU 23 lone 9 99 - 9 - 4855/3.0=2, 4858/3.0=2...(5) HA LYS 77 - HB3 GLU 23 lone 8 85 - 9 - 4468/4.0=3, 4873/4.1=2 HA VAL 30 - HB3 GLU 23 poor 7 68 - 10 - 4855/3.0=3, 4857/3.0=2 HA2 GLY 64 - HB3 GLU 23 lone 6 63 - 9 - 4855/3.0=2, 4857/3.0=2...(4) HD2 PRO 92 - HB3 GLU 23 lone 4 81 - 4 - 4873/4.1=1 HB3 SER 11 - HB3 GLU 23 lone 3 90 - 3 - HA SER 89 - HB3 GLU 23 lone 1 63 - 2 - Peak 4857 from cnoeabs.peaks (3.75, 2.34, 35.84 ppm; 4.95 A): 1 out of 12 assignments used, quality = 0.66: HA2 GLY 22 + HG2 GLU 23 OK 66 81 - 82 - 3.6/662=33, 4855/3.8=18...(11) HA2 GLY 60 - HG3 GLU 58 poor 10 40 - 25 - 5909/5.0=14, ~5933=8, 4858/1.8=3 HA VAL 30 - HG2 GLU 23 lone 9 99 - 9 - 4855/3.8=2, 4858/1.8=2...(4) HA2 GLY 60 - HG2 GLU 23 lone 9 96 - 9 - 4858/1.8=2, 4855/3.8=2 HA2 GLY 64 - HG2 GLU 23 lone 8 97 - 8 - 4855/3.8=2, 4858/1.8=2...(4) HA2 GLY 22 - HG3 GLU 58 poor 7 31 - 24 - 3.6/662=7, 4828/1.8=6...(7) HB THR 42 - HG2 GLU 23 lone 4 76 - 6 - ~5495=2 HA2 GLY 20 - HG2 GLU 23 lone 2 87 - 3 - HA2 GLY 64 - HG3 GLU 58 lone 1 42 - 3 - HA VAL 30 - HG3 GLU 58 lone 1 43 - 3 - HA2 GLY 20 - HG3 GLU 58 lone 1 34 - 2 - HB THR 42 - HG3 GLU 58 lone 1 29 - 2 - Peak 4858 from cnoeabs.peaks (3.76, 2.25, 35.84 ppm; 5.38 A): 6 out of 16 assignments used, quality = 0.93: HA2 GLY 22 + HG3 GLU 23 OK 85 96 - 89 - 3.6/663=33, 4828=25...(11) HA2 GLY 60 + HG2 GLU 58 OK 18 61 - 30 - 5909/5.0=18, ~5933=9, 4857/1.8=3 HA2 GLY 22 + HG2 GLU 58 OK 18 55 - 32 - 3.6/663=9, 4828=9...(8) HA ILE 40 + HG3 GLU 23 OK 15 63 - 23 - 4856/3.0=6, 64/5.1=4...(8) HA2 GLY 60 + HG3 GLU 23 OK 13 100 - 13 - 4857/1.8=3, 4856/3.0=2...(5) HA VAL 30 + HG3 GLU 23 OK 11 89 - 12 - 4857/1.8=3, 4855/3.8=3 HA2 GLY 64 - HG3 GLU 23 poor 9 85 - 11 - 4857/1.8=3, 4855/3.8=2...(4) HA LYS 77 - HG3 GLU 23 lone 5 63 - 8 - 64/5.1=3, 4856/3.0=2 HB3 SER 11 - HG3 GLU 23 lone 3 71 - 4 - HA2 GLY 20 - HG3 GLU 23 lone 2 65 - 4 - HA LYS 77 - HG2 GLU 58 lone 2 32 - 6 - 5909/5.0=3 HA2 GLY 64 - HG2 GLU 58 lone 2 46 - 4 - HA VAL 30 - HG2 GLU 58 lone 2 49 - 4 - HA ILE 40 - HG2 GLU 58 lone 2 32 - 5 - HA2 GLY 20 - HG2 GLU 58 lone 1 33 - 3 - HB3 SER 11 - HG2 GLU 58 lone 1 37 - 2 - Peak 4860 from cnoeabs.peaks (1.88, 4.11, 56.91 ppm; 3.64 A): 2 out of 24 assignments used, quality = 0.59: HB2 LEU 62 + HA GLU 23 OK 53 98 - 54 - 5949=18, 3.1/4862=16...(7) HB2 LEU 62 + HA GLN 36 OK 13 52 - 26 - 5949=8, 1.8/5952=6...(7) HB ILE 37 - HA GLN 36 poor 9 28 - 31 - 744/3.5=13, 5313/2.9=6...(7) HB2 LYS 63 - HA GLU 23 lone 6 100 - 6 - 1.8/4861=2, 875/4852=1...(4) HB ILE 16 - HA GLU 23 lone 5 71 - 7 - HB ILE 37 - HA GLU 23 lone 4 63 - 7 - ~5322=1, ~5318=1 HB2 ARG 57 - HA GLU 23 lone 3 97 - 3 - 4864/3.8=2 HB3 ARG 57 - HA GLU 23 lone 3 97 - 3 - 4864/3.8=2 HB ILE 27 - HA GLU 23 lone 2 89 - 2 - HB2 PRO 92 - HA GLU 23 lone 2 90 - 2 - HB ILE 16 - HA GLN 36 lone 2 32 - 5 - 744/3.5=2 HB2 LYS 63 - HA GLN 36 lone 1 55 - 2 - HB2 PRO 92 - HA GLN 36 lone 1 45 - 2 - HD3 LYS 77 - HA GLU 23 lone 1 90 - 1 - HB3 LYS 44 - HA GLU 23 lone 1 83 - 1 - HB2 GLU 87 - HA GLU 23 lone 1 100 - 1 - HD3 LYS 77 - HA GLN 36 lone 1 45 - 2 - HB2 LYS 44 - HA GLU 23 lone 1 76 - 1 - HB ILE 27 - HA GLN 36 lone 1 44 - 1 - HB2 GLU 87 - HA GLN 36 lone 0 55 - 1 - HB3 LYS 44 - HA GLN 36 lone 0 40 - 1 - HB2 LYS 44 - HA GLN 36 lone 0 35 - 1 - HB2 ARG 57 - HA GLN 36 lone 0 50 - 1 - HB3 ARG 57 - HA GLN 36 lone 0 50 - 1 - Peak 4861 from cnoeabs.peaks (1.52, 4.11, 56.91 ppm; 4.01 A): 2 out of 20 assignments used, quality = 0.67: HB3 LEU 62 + HA GLU 23 OK 60 99 - 61 - 5952=20, 1.8/4860=20...(8) HB3 LEU 62 + HA GLN 36 OK 16 53 - 30 - 5952=10, 1.8/5949=8...(7) HB3 LYS 63 - HA GLU 23 lone 7 97 - 7 - 1.8/4860=2, 876/4852=2 HG13 ILE 93 - HA GLU 23 lone 6 100 - 6 - 2.1/4863=2, ~4859=2 HG LEU 53 - HA GLU 23 lone 4 83 - 5 - 2.1/4863=2, 4900/4863=1 HG3 LYS 41 - HA GLU 23 lone 4 97 - 4 - HB3 LYS 94 - HA GLN 36 lone 3 42 - 7 - 6866/3.0=3, ~6865=2 HG2 LYS 86 - HA GLN 36 lone 3 34 - 7 - ~137=2, ~134=1, ~739=1 HD2 LYS 86 - HA GLN 36 lone 2 35 - 7 - ~137=1, ~134=1 HG2 LYS 94 - HA GLN 36 lone 2 48 - 5 - ~6865=2, ~6866=1 HB3 LYS 94 - HA GLU 23 lone 2 87 - 2 - HG2 LYS 94 - HA GLU 23 lone 2 95 - 2 - HD2 LYS 86 - HA GLU 23 lone 1 76 - 2 - HB3 LYS 63 - HA GLN 36 lone 1 51 - 3 - HG LEU 53 - HA GLN 36 lone 1 40 - 3 - HG2 LYS 45 - HA GLU 23 lone 1 100 - 1 - HG13 ILE 93 - HA GLN 36 lone 1 55 - 2 - HG2 LYS 86 - HA GLU 23 lone 1 73 - 1 - HG3 LYS 41 - HA GLN 36 lone 1 50 - 2 - HG2 LYS 45 - HA GLN 36 lone 1 55 - 1 - Peak 4862 from cnoeabs.peaks (0.99, 4.11, 56.91 ppm; 3.99 A): 2 out of 6 assignments used, quality = 0.68: QD1 LEU 62 + HA GLU 23 OK 62 100 - 62 - 5954=16, 3.1/4860=15...(10) QD1 LEU 62 + HA GLN 36 OK 16 55 - 29 - 5954=8, 3.1/5949=6...(7) HG12 ILE 51 - HA GLU 23 lone 6 78 - 8 - 4868/3.6=4, 4893/4853=1 QG1 VAL 95 - HA GLU 23 lone 5 92 - 5 - 4868/3.6=1, 6922/3.0=1 HG12 ILE 51 - HA GLN 36 lone 1 37 - 4 - QG1 VAL 95 - HA GLN 36 lone 1 46 - 2 - Peak 4863 from cnoeabs.peaks (0.80, 4.11, 56.91 ppm; 4.50 A): 4 out of 10 assignments used, quality = 0.79: QG1 VAL 25 + HA GLU 23 OK 53 100 - 53 - 3.9/4853=18, 4869/3.6=12...(11) QG2 VAL 25 + HA GLU 23 OK 35 76 - 46 - 3.9/4853=18, 4869/3.6=9...(9) QG2 ILE 40 + HA GLU 23 OK 23 81 - 28 - 4859/3.0=6, 4869/3.6=4...(11) QD1 ILE 93 + HA GLU 23 OK 12 99 - 11 - 4859/3.0=3, 4869/3.6=2...(4) QD1 LEU 53 - HA GLU 23 poor 7 68 - 11 - 5826/4862=3, 5788/4853=2 QG1 VAL 25 - HA GLN 36 lone 5 55 - 9 - 4902/4862=2, 3.9/4853=1 QG2 ILE 40 - HA GLN 36 lone 3 38 - 7 - ~5401=4 QD1 ILE 93 - HA GLN 36 lone 3 53 - 5 - 6841/4.0=1 QD1 LEU 53 - HA GLN 36 lone 2 31 - 6 - QG2 VAL 25 - HA GLN 36 lone 2 35 - 4 - 3.9/4853=1 Peak 4864 from cnoeabs.peaks (1.87, 2.34, 35.84 ppm; 4.68 A): 0 out of 24 assignments used, low quality = 0.37: HB2 LEU 62 - HG2 GLU 23 OK 16 87 - 19 - 4860/3.8=16, ~5045=2 HB2 ARG 57 - HG2 GLU 23 OK 13 83 - 16 - 4.4/855=5, 3.0/4865=4...(4) HB3 ARG 57 - HG2 GLU 23 OK 13 83 - 16 - 4.4/855=5, 3.0/4865=4...(4) HB3 ARG 57 - HG3 GLU 58 poor 9 32 - 27 - 4.4/855=17, 5890/4.1=6...(5) HB2 ARG 57 - HG3 GLU 58 poor 9 32 - 27 - 4.4/855=17, 5890/4.1=6...(5) HB2 LYS 63 - HG2 GLU 23 lone 7 99 - 7 - 4860/3.8=2, 7101/3.0=2, ~7208=1 HB ILE 16 - HG3 GLU 58 poor 7 36 - 18 - ~5902=7, ~5900=5...(4) HB ILE 16 - HG2 GLU 23 lone 6 90 - 6 - 4860/3.8=2 HB ILE 27 - HG2 GLU 23 lone 4 99 - 4 - HB ILE 37 - HG2 GLU 23 lone 4 85 - 4 - 4860/3.8=1 HB3 LYS 44 - HG2 GLU 23 lone 3 97 - 3 - HB2 LYS 44 - HG2 GLU 23 lone 3 93 - 3 - HB2 PRO 92 - HG2 GLU 23 lone 2 99 - 2 - HD3 LYS 77 - HG2 GLU 23 lone 2 99 - 2 - HB2 GLU 87 - HG2 GLU 23 lone 1 97 - 2 - HB2 LEU 62 - HG3 GLU 58 lone 1 34 - 4 - 4860/1490=1 HB ILE 37 - HG3 GLU 58 lone 1 33 - 3 - 3.9/147=1 HB2 LYS 63 - HG3 GLU 58 lone 1 44 - 2 - HB ILE 27 - HG3 GLU 58 lone 1 43 - 2 - HD3 LYS 77 - HG3 GLU 58 lone 1 44 - 2 - HB2 PRO 92 - HG3 GLU 58 lone 1 44 - 2 - HB3 LYS 44 - HG3 GLU 58 lone 1 41 - 2 - HB2 LYS 44 - HG3 GLU 58 lone 1 38 - 2 - HB2 GLU 87 - HG3 GLU 58 lone 1 42 - 1 - Peak 4865 from cnoeabs.peaks (1.67, 2.34, 35.84 ppm; 4.88 A): 6 out of 38 assignments used, quality = 0.68: HG3 ARG 57 + HG2 GLU 23 OK 22 92 - 25 - ~5893=5, 4867/1.8=5...(6) HG2 ARG 57 + HG2 GLU 23 OK 21 89 - 25 - ~5893=5, 4.9/855=5...(6) QB ALA 79 + HG2 GLU 23 OK 18 100 - 18 - 2.9/1504=4, 4867/1.8=4...(6) HB ILE 40 + HG2 GLU 23 OK 17 89 - 19 - 4867/1.8=3, ~4856=3...(8) HG3 ARG 57 + HG3 GLU 58 OK 13 37 - 35 - 4.9/855=16, 5891/4.1=8...(7) HG2 ARG 57 + HG3 GLU 58 OK 12 35 - 35 - 4.9/855=16, 5891/4.1=8...(7) HG12 ILE 40 - HG2 GLU 23 poor 8 71 - 12 - 4867/1.8=3, ~5444=2...(5) HG12 ILE 39 - HG2 GLU 23 poor 7 65 - 10 - 1983/5.1=3, 4.6/1504=3...(4) HG12 ILE 27 - HG2 GLU 23 lone 5 99 - 5 - 2.8/4864=2, 4867/1.8=1 HB2 MET 50 - HG2 GLU 23 lone 4 92 - 5 - 4867/1.8=2 HD2 LYS 44 - HG2 GLU 23 lone 4 90 - 4 - HD3 LYS 44 - HG2 GLU 23 lone 4 89 - 4 - HD3 LYS 63 - HG2 GLU 23 lone 4 90 - 4 - 3.9/4864=2 HD3 LYS 35 - HG2 GLU 23 lone 4 83 - 4 - 1846/3.0=1 HG3 GLN 19 - HG2 GLU 23 lone 3 87 - 4 - ~7177=1 HD2 LYS 61 - HG2 GLU 23 lone 3 90 - 3 - HD3 LYS 61 - HG2 GLU 23 lone 3 90 - 3 - HD3 LYS 94 - HG2 GLU 23 lone 2 96 - 3 - HD2 LYS 94 - HG2 GLU 23 lone 2 96 - 3 - HB3 LYS 61 - HG2 GLU 23 lone 2 99 - 2 - HD3 LYS 94 - HG3 GLU 58 lone 2 40 - 4 - HD2 LYS 94 - HG3 GLU 58 lone 2 40 - 4 - QB ALA 79 - HG3 GLU 58 lone 2 45 - 4 - HB ILE 40 - HG3 GLU 58 lone 1 35 - 4 - HG3 GLN 19 - HG3 GLU 58 lone 1 34 - 4 - ~7177=2 HD2 LYS 61 - HG3 GLU 58 lone 1 36 - 4 - HD3 LYS 61 - HG3 GLU 58 lone 1 36 - 4 - HG12 ILE 27 - HG3 GLU 58 lone 1 44 - 3 - HB3 LYS 61 - HG3 GLU 58 lone 1 44 - 3 - HB VAL 18 - HG2 GLU 23 lone 1 63 - 2 - HD3 LYS 35 - HG3 GLU 58 lone 1 32 - 3 - HD3 LYS 63 - HG3 GLU 58 lone 1 36 - 3 - HD2 LYS 44 - HG3 GLU 58 lone 1 36 - 3 - HD3 LYS 44 - HG3 GLU 58 lone 1 35 - 3 - HG12 ILE 40 - HG3 GLU 58 lone 1 26 - 3 - HB2 MET 50 - HG3 GLU 58 lone 1 37 - 2 - HG12 ILE 39 - HG3 GLU 58 lone 1 24 - 2 - HB VAL 18 - HG3 GLU 58 lone 0 23 - 2 - Peak 4867 from cnoeabs.peaks (1.66, 2.25, 35.84 ppm; 4.78 A): 7 out of 36 assignments used, quality = 0.68: HG3 ARG 57 + HG3 GLU 23 OK 20 73 - 27 - 4.9/854=6, 3.0/5893=6...(6) HG2 ARG 57 + HG3 GLU 23 OK 18 68 - 27 - 4.9/854=6, 3.0/5893=6...(6) QB ALA 79 + HG3 GLU 23 OK 17 96 - 17 - 2.9/1510=4, 4865/1.8=4...(5) HG3 ARG 57 + HG2 GLU 58 OK 14 38 - 36 - 4.9/854=19, 5891/4.1=6...(7) HG2 ARG 57 + HG2 GLU 58 OK 12 35 - 36 - 4.9/854=19, 5891/4.1=6...(7) HB ILE 40 + HG3 GLU 23 OK 12 68 - 18 - 4865/1.8=3, ~4856=3...(8) HG12 ILE 40 + HG3 GLU 23 OK 12 90 - 13 - ~5444=2, ~4865=2...(6) HB2 MET 50 - HG3 GLU 23 lone 7 99 - 7 - HG12 ILE 27 - HG3 GLU 23 lone 5 100 - 5 - 4865/1.8=1, ~4864=1 HG3 GLN 19 - HG3 GLU 23 lone 3 98 - 3 - HD3 LYS 35 - HG3 GLU 23 lone 2 60 - 4 - HD2 LYS 44 - HG3 GLU 23 lone 2 71 - 3 - HB3 LYS 61 - HG3 GLU 23 lone 2 100 - 2 - HD3 LYS 44 - HG3 GLU 23 lone 2 68 - 3 - HD3 LYS 61 - HG3 GLU 23 lone 2 71 - 3 - HD2 LYS 61 - HG3 GLU 23 lone 2 71 - 3 - HD3 LYS 94 - HG3 GLU 23 lone 2 81 - 2 - HD2 LYS 94 - HG3 GLU 23 lone 2 81 - 2 - QB ALA 79 - HG2 GLU 58 lone 2 55 - 3 - HG3 GLN 19 - HG2 GLU 58 lone 2 58 - 3 - 3.0/7177=1 HD3 LYS 63 - HG3 GLU 23 lone 2 71 - 2 - HD3 LYS 94 - HG2 GLU 58 lone 2 43 - 4 - HD2 LYS 94 - HG2 GLU 58 lone 2 43 - 4 - HG12 ILE 40 - HG2 GLU 58 lone 2 50 - 3 - HG12 ILE 27 - HG2 GLU 58 lone 1 62 - 2 - HB VAL 18 - HG3 GLU 23 lone 1 85 - 2 - HB3 LYS 61 - HG2 GLU 58 lone 1 62 - 2 - HB2 MET 50 - HG2 GLU 58 lone 1 60 - 2 - HB ILE 40 - HG2 GLU 58 lone 1 35 - 3 - HD3 LYS 61 - HG2 GLU 58 lone 1 37 - 3 - HD2 LYS 61 - HG2 GLU 58 lone 1 37 - 3 - HD3 LYS 63 - HG2 GLU 58 lone 1 37 - 2 - HD3 LYS 35 - HG2 GLU 58 lone 1 30 - 3 - HD2 LYS 44 - HG2 GLU 58 lone 1 37 - 2 - HD3 LYS 44 - HG2 GLU 58 lone 1 35 - 2 - HB VAL 18 - HG2 GLU 58 lone 1 46 - 1 - Peak 4871 from cnoeabs.peaks (4.14, 2.91, 38.34 ppm; 5.15 A): 2 out of 7 assignments used, quality = 0.85: HA VAL 25 + HB2 ASN 24 OK 76 98 - 77 - 3.0/74=40, ~75=26...(6) HA GLU 23 + HB2 ASN 24 OK 36 68 - 54 - 3.6/666=38, 4853/4.4=13...(4) HA GLN 36 - HB2 ASN 24 lone 7 96 - 7 - 5252/3.0=2 HA THR 99 - HB2 ASN 24 lone 7 100 - 7 - ~7020=2, 7132/3.5=1 HA ALA 78 - HB2 ASN 24 lone 5 90 - 6 - ~6446=1, 4475/1.8=1, ~6432=1 HB THR 15 - HB2 ASN 24 lone 2 97 - 2 - HA3 GLY 90 - HB2 ASN 24 lone 2 83 - 2 - Peak 4872 from cnoeabs.peaks (4.12, 2.72, 38.34 ppm; 4.92 A): 6 out of 16 assignments used, quality = 0.84: HA GLU 23 + HB3 ASN 24 OK 55 100 - 55 - 3.6/667=36, 4853/4.4=19...(4) HA THR 99 + HB3 ASN 13 OK 31 77 - 41 - 7131/3.5=22, 7132/3.5=14...(5) HB THR 15 + HB3 ASN 13 OK 24 91 - 26 - 3.8/4559=13, 4538/4.6=8...(5) HA3 GLY 22 + HB3 ASN 24 OK 18 98 - 19 - 4848/4.0=17 HB THR 67 + HB3 ASN 13 OK 11 86 - 12 - 2.1/6089=3, 4279/4.0=3...(4) HA GLU 23 + HB3 ASN 13 OK 10 98 - 10 - 4538/4.6=5, 3.6/667=3 HA3 GLY 22 - HB3 ASN 13 poor 10 95 - 10 - 4848/4.6=4, 4844/3.5=2...(4) HA GLN 36 - HB3 ASN 24 lone 8 97 - 8 - 5252/3.0=2, 4853/4.4=1 HB THR 67 - HB3 ASN 24 lone 7 90 - 7 - 2.1/6089=3, 3.0/6085=2 HA GLN 36 - HB3 ASN 13 lone 6 93 - 7 - 5255/4506=1, 4538/4.6=1 HA THR 99 - HB3 ASN 24 lone 6 81 - 7 - 3.0/7020=2, 4871/1.8=1 HB2 SER 96 - HB3 ASN 13 lone 4 95 - 5 - 4.1/6937=1 HB THR 15 - HB3 ASN 24 lone 4 95 - 4 - 3.8/4559=2 HB2 SER 96 - HB3 ASN 24 lone 4 98 - 4 - 4.1/6937=1, 6939/1.8=1 HA ILE 39 - HB3 ASN 13 lone 1 56 - 2 - HA ILE 39 - HB3 ASN 24 lone 1 60 - 1 - Peak 4876 from cnoeabs.peaks (6.96, 4.15, 61.58 ppm; 4.30 A): 5 out of 7 assignments used, quality = 0.89: QE PHE 88 + HA VAL 25 OK 53 98 - 55 - 4861=11, ~4890=10...(14) HZ PHE 88 + HA VAL 25 OK 35 78 - 45 - 2.2/4861=11, 4878/3.2=7...(11) QE PHE 70 + HA VAL 25 OK 32 97 - 33 - 4878/3.2=5, 4925/3.6=5...(11) HZ PHE 83 + HA VAL 25 OK 28 97 - 28 - 4806/3.0=11, 4878/3.2=4...(8) QE PHE 83 + HA VAL 25 OK 24 68 - 35 - ~4806=7, 4878/3.2=5...(13) HE22 GLN 48 - HA VAL 25 lone 4 81 - 4 - 4925/3.6=1 HD21 ASN 52 - HA VAL 25 lone 2 63 - 4 - Peak 4877 from cnoeabs.peaks (6.96, 1.99, 32.18 ppm; 4.61 A): 5 out of 14 assignments used, quality = 0.96: QE PHE 88 + HB VAL 25 OK 66 98 - 67 - ~4890=14, 4861/3.0=10...(16) HZ PHE 88 + HB VAL 25 OK 43 78 - 55 - 4878/2.1=10, ~4861=7...(16) HZ PHE 83 + HB VAL 25 OK 42 97 - 43 - 4806=17, 4878/2.1=6...(10) QE PHE 70 + HB VAL 25 OK 42 97 - 43 - 2.2/1539=7, 4878/2.1=7...(11) QE PHE 83 + HB VAL 25 OK 32 68 - 47 - 2.2/4806=14, 4878/2.1=7...(13) HZ PHE 83 - HB2 LYS 77 lone 7 81 - 8 - 4806=3, 4807/1.8=2 QE PHE 70 - HB2 LYS 77 lone 7 81 - 9 - ~4859=4 QE PHE 83 - HB2 LYS 77 poor 6 53 - 12 - ~4469=5, 2.2/4806=3, ~4807=2 QE PHE 88 - HB2 LYS 77 lone 5 82 - 7 - 4752/4909=1, 4752/4909=1 HE22 GLN 48 - HB VAL 25 lone 5 81 - 6 - 4925/4.4=1 HZ PHE 88 - HB2 LYS 77 lone 3 61 - 6 - 4853/4909=1 HD21 ASN 52 - HB VAL 25 lone 3 63 - 5 - 4878/2.1=1 HE22 GLN 48 - HB2 LYS 77 lone 3 63 - 4 - ~4469=3 HD21 ASN 52 - HB2 LYS 77 lone 1 48 - 1 - Peak 4878 from cnoeabs.peaks (6.97, 0.79, 21.07 ppm; 3.78 A): 6 out of 8 assignments used, quality = 0.94: HZ PHE 88 + QG1 VAL 25 OK 53 95 - 56 - 3.8/4890=10, 2.2/4750=7...(18) QE PHE 88 + QG1 VAL 25 OK 50 87 - 58 - 2.2/4890=12, 4750=7...(20) QE PHE 83 + QG1 VAL 25 OK 36 89 - 41 - ~4806=6, 2.2/4864=5...(15) QE PHE 70 + QG1 VAL 25 OK 36 100 - 36 - 2.2/1544=7, 4925/4.3=4...(12) HZ PHE 83 + QG1 VAL 25 OK 30 85 - 35 - 4806/2.1=8, 3.8/4864=4...(13) HD21 ASN 24 + QG1 VAL 25 OK 13 63 - 20 - 4.4/4887=10, 5.7/4869=5, ~4871=4 HD21 ASN 52 - QG1 VAL 25 lone 7 85 - 8 - 4.3/4887=4 HE22 GLN 48 - QG1 VAL 25 lone 5 96 - 5 - 4925/4.3=1 Peak 4879 from cnoeabs.peaks (6.97, 0.82, 22.47 ppm; 3.72 A): 5 out of 16 assignments used, quality = 0.92: HZ PHE 88 + QG2 VAL 25 OK 54 100 - 55 - 4878/2.1=7, 4852=6...(18) QE PHE 88 + QG2 VAL 25 OK 37 68 - 54 - ~4890=9, 2.2/4747=8...(17) QE PHE 83 + QG2 VAL 25 OK 36 98 - 37 - ~4806=6, 4878/2.1=5...(12) HZ PHE 88 + QG1 VAL 30 OK 35 62 - 57 - 4850/3.2=17, 4852=8...(13) QE PHE 70 + QG2 VAL 25 OK 32 99 - 33 - 2.2/1549=6, 4878/2.1=5...(9) QE PHE 83 - QG1 VAL 30 OK 20 60 - 34 - 2.2/4836=4, 2.2/4738=3...(12) QE PHE 88 - QG1 VAL 30 OK 19 36 - 53 - ~4850=9, 5059/3.2=9...(12) QE PHE 70 - QG1 VAL 30 OK 19 61 - 31 - 5064/2.1=4, 2.2/4777=4...(10) HZ PHE 83 - QG2 VAL 25 OK 18 65 - 27 - 4806/2.1=6, 4878/2.1=4...(9) HZ PHE 83 - QG1 VAL 30 poor 9 34 - 27 - 5064/2.1=4, 5059/3.2=3...(9) HD21 ASN 24 - QG2 VAL 25 poor 8 83 - 10 - ~4871=4, 5.7/4869=3, 4878/2.1=2 HE22 GLN 48 - QG2 VAL 25 lone 5 100 - 5 - 4925/4.3=1 HD21 ASN 52 - QG2 VAL 25 lone 4 97 - 4 - HE22 GLN 48 - QG1 VAL 30 lone 3 63 - 5 - HD21 ASN 52 - QG1 VAL 30 lone 2 58 - 4 - HD21 ASN 24 - QG1 VAL 30 lone 1 46 - 1 - Peak 4880 from cnoeabs.peaks (7.99, 0.79, 21.07 ppm; 4.07 A): 5 out of 5 assignments used, quality = 0.93: H GLY 22 + QG1 VAL 25 OK 67 100 - 67 - 4.6/4901=10, 4.6/4901=10...(20) H LYS 63 + QG1 VAL 25 OK 41 100 - 42 - 4.7/4881=10, 3.0/4906=6...(10) H PHE 34 + QG1 VAL 25 OK 37 99 - 37 - 5181/3.9=5, 4.6/4855=4...(16) H VAL 30 + QG1 VAL 25 OK 30 76 - 40 - 4917/4.3=10, 3.0/4905=10...(9) H LYS 86 + QG1 VAL 25 OK 21 90 - 23 - 6658=8, 6658/2.1=2...(8) Peak 4881 from cnoeabs.peaks (8.33, 0.79, 21.07 ppm; 4.43 A): 4 out of 5 assignments used, quality = 0.78: H GLY 64 + QG1 VAL 25 OK 63 100 - 63 - 3.0/4905=21, 3.0/4906=13...(14) H LYS 94 + QG1 VAL 25 OK 21 63 - 34 - 436=6, 3.6/3808=6...(8) H ASP 32 + QG1 VAL 25 OK 13 93 - 14 - 5114/2.1=3, 1150/4905=2...(6) H LYS 35 + QG1 VAL 25 OK 12 85 - 14 - 4.6/4880=5, 3.0/4887=4 H LYS 45 - QG1 VAL 25 lone 5 93 - 5 - Peak 4882 from cnoeabs.peaks (8.42, 0.79, 21.07 ppm; 4.99 A): 0 out of 4 assignments used, low quality = 0.37: H THR 67 - QG1 VAL 25 OK 37 100 - 37 - 6104/4910=16, 6061/3.9=8...(9) H GLY 90 - QG1 VAL 25 lone 7 97 - 8 - 4.6/6726=6 H GLY 60 - QG1 VAL 25 lone 6 98 - 6 - 5854/4902=1 H ASP 71 - QG1 VAL 25 lone 3 68 - 5 - Peak 4887 from cnoeabs.peaks (4.93, 0.79, 21.07 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.55: HA ASN 24 + QG1 VAL 25 OK 45 92 - 50 - 3.6/1544=27, 2.9/4869=13...(7) HA ASN 52 + QG1 VAL 25 OK 19 100 - 19 - 5799/4910=5, 73/3.9=3...(6) HA LYS 35 - QG1 VAL 25 poor 9 89 - 10 - 3.0/4881=3, 5799/4910=2...(4) HA VAL 18 - QG1 VAL 25 lone 4 65 - 7 - 6071/4882=2, 5799/4910=1 Peak 4889 from cnoeabs.peaks (6.21, 0.82, 22.47 ppm; 5.22 A): 4 out of 4 assignments used, quality = 0.97: QD PHE 88 + QG2 VAL 25 OK 83 100 - 83 - 4890/2.1=24, 4747=12...(22) QE TYR 33 + QG1 VAL 30 OK 49 62 - 79 - ~5056=24, 5057/3.2=19...(17) QD PHE 88 + QG1 VAL 30 OK 46 64 - 73 - 5057/3.2=17, 5062/2.1=17...(16) QE TYR 33 + QG2 VAL 25 OK 40 100 - 40 - 4890/2.1=14, ~4855=8...(12) Peak 4890 from cnoeabs.peaks (6.22, 0.79, 21.07 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.91: QD PHE 88 + QG1 VAL 25 OK 82 99 - 83 - 6722=14, 4889/2.1=14...(32) QE TYR 33 + QG1 VAL 25 OK 48 100 - 48 - 5161=13, 2.2/4855=9...(17) Peak 4895 from cnoeabs.peaks (1.15, 4.15, 61.58 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 21 + HA VAL 25 OK 89 99 - 91 - 4901/3.2=19, ~4912=17...(25) HB2 LEU 21 + HA VAL 25 OK 88 97 - 91 - 4901/3.2=19, ~4912=17...(25) HG13 ILE 27 - HA VAL 25 OK 27 93 - 29 - 4950/4.9=6, 4901/3.2=5...(8) QG2 THR 15 - HA VAL 25 OK 17 97 - 17 - 4892/3.0=3, 4901/3.2=2...(9) QG2 THR 46 - HA VAL 25 lone 3 87 - 3 - Peak 4896 from cnoeabs.peaks (1.27, 4.15, 61.58 ppm; 3.85 A): 3 out of 6 assignments used, quality = 0.82: QG2 THR 26 + HA VAL 25 OK 74 100 - 75 - 4921=35, 4.0/4086=29...(7) QB ALA 98 + HA VAL 25 OK 19 100 - 19 - 6989/3.6=4, 4891/3.0=4...(6) HG12 ILE 16 + HA VAL 25 OK 14 85 - 16 - ~4632=3, 4891/3.0=2...(6) HG3 LYS 35 - HA VAL 25 lone 5 100 - 5 - 4891/3.0=1, 678/3.6=1 HG3 LYS 86 - HA VAL 25 lone 3 81 - 4 - 678/3.6=1 HG13 ILE 39 - HA VAL 25 lone 3 92 - 3 - Peak 4897 from cnoeabs.peaks (1.14, 1.99, 32.18 ppm; 3.80 A): 2 out of 10 assignments used, quality = 0.95: HB3 LEU 21 + HB VAL 25 OK 78 95 - 83 - 4901/2.1=17, ~4912=13...(25) HB2 LEU 21 + HB VAL 25 OK 76 92 - 83 - 4901/2.1=17, ~4912=13...(25) HG13 ILE 27 - HB VAL 25 OK 21 85 - 25 - 4901/2.1=5, 4976/4907=5...(9) HB3 LEU 21 - HB2 LYS 77 OK 18 78 - 22 - ~6421=5, 3.1/4909=4...(8) HB2 LEU 21 - HB2 LYS 77 OK 17 75 - 22 - ~6421=5, 3.1/4909=4...(8) QG2 THR 15 - HB VAL 25 lone 9 92 - 9 - 4901/2.1=2, 4903/2.1=1...(4) QG2 THR 46 - HB2 LYS 77 lone 5 78 - 6 - 5570/3.7=2 HG13 ILE 27 - HB2 LYS 77 lone 4 67 - 5 - 4976/4907=1 QG2 THR 46 - HB VAL 25 lone 2 95 - 2 - QG2 THR 15 - HB2 LYS 77 lone 1 75 - 1 - Peak 4898 from cnoeabs.peaks (1.00, 1.99, 32.18 ppm; 4.79 A): 4 out of 8 assignments used, quality = 0.86: QD1 LEU 62 + HB VAL 25 OK 75 100 - 75 - 4902/2.1=28, 5963/4.0=26...(15) HG12 ILE 51 + HB VAL 25 OK 23 93 - 24 - 4902/2.1=9, 2.1/5742=6...(5) QG2 THR 55 + HB VAL 25 OK 17 65 - 25 - 4902/2.1=7, 4893/4.0=5...(6) QG1 VAL 95 + HB VAL 25 OK 15 76 - 20 - ~6906=7, 4902/2.1=5...(6) QD1 LEU 62 - HB2 LYS 77 lone 8 86 - 9 - 5962/4907=2, 7099/5808=1 HG12 ILE 51 - HB2 LYS 77 lone 8 76 - 10 - 2.1/5742=3, 5762/2.9=1...(4) QG1 VAL 95 - HB2 LYS 77 lone 3 59 - 5 - 6911/4909=1 QG2 THR 55 - HB2 LYS 77 lone 2 50 - 5 - Peak 4899 from cnoeabs.peaks (1.83, 0.79, 21.07 ppm; 4.93 A): 3 out of 10 assignments used, quality = 0.76: HG LEU 62 + QG1 VAL 25 OK 58 90 - 65 - 2.1/4902=28, ~4898=14...(13) HB ILE 93 + QG1 VAL 25 OK 32 85 - 38 - 2.1/3822=8, 3.0/3808=7...(9) HB2 LYS 94 + QG1 VAL 25 OK 16 100 - 16 - 4.0/436=7, 1.8/4900=3...(4) HB ILE 37 - QG1 VAL 25 lone 6 63 - 9 - 7160/3.9=2, 5806/4910=1 HB2 PRO 74 - QG1 VAL 25 lone 5 97 - 5 - HB ILE 39 - QG1 VAL 25 lone 4 100 - 4 - HB3 GLU 65 - QG1 VAL 25 lone 4 100 - 4 - 5806/4910=1 HB2 GLN 48 - QG1 VAL 25 lone 3 81 - 4 - HB2 LYS 61 - QG1 VAL 25 lone 3 97 - 3 - HG2 GLU 87 - QG1 VAL 25 lone 2 65 - 4 - Peak 4900 from cnoeabs.peaks (1.52, 0.79, 21.07 ppm; 3.89 A): 4 out of 10 assignments used, quality = 0.86: HG LEU 53 + QG1 VAL 25 OK 52 73 - 71 - 2.1/4910=43, ~5112=15...(11) HB3 LEU 62 + QG1 VAL 25 OK 49 100 - 49 - 3.1/4902=21, 3.0/4899=9...(14) HB3 LYS 63 + QG1 VAL 25 OK 27 99 - 27 - 4.7/4881=9, 3.0/4906=6...(6) HG13 ILE 93 + QG1 VAL 25 OK 22 100 - 22 - 3.2/3822=6, 3.0/4899=5...(4) HB3 LYS 94 - QG1 VAL 25 poor 9 93 - 10 - 4.0/436=5, 1.8/4899=3 HG2 LYS 94 - QG1 VAL 25 lone 8 89 - 9 - 4.9/436=4, 2.9/4899=2 HD2 LYS 86 - QG1 VAL 25 lone 6 85 - 7 - 5.7/6658=3 HG2 LYS 86 - QG1 VAL 25 lone 5 63 - 7 - 4.7/6658=3 HG2 LYS 45 - QG1 VAL 25 lone 3 99 - 3 - HG3 LYS 41 - QG1 VAL 25 lone 3 92 - 3 - Peak 4901 from cnoeabs.peaks (1.15, 0.79, 21.07 ppm; 3.23 A): 3 out of 5 assignments used, quality = 0.95: HB3 LEU 21 + QG1 VAL 25 OK 75 99 - 76 - 3.1/4912=17, 3.1/4911=16...(32) HB2 LEU 21 + QG1 VAL 25 OK 74 97 - 76 - 3.1/4912=17, 3.1/4911=16...(32) HG13 ILE 27 + QG1 VAL 25 OK 20 93 - 22 - 4976/4910=5, 4.6/4955=3...(8) QG2 THR 15 - QG1 VAL 25 lone 8 97 - 8 - 4903/2.1=1 QG2 THR 46 - QG1 VAL 25 lone 2 87 - 2 - Peak 4902 from cnoeabs.peaks (1.01, 0.79, 21.07 ppm; 2.94 A): 0 out of 4 assignments used, low quality = 0.44: QD1 LEU 62 - QG1 VAL 25 OK 37 98 - 38 - 4893/3.9=10, 5962/4910=6...(12) HG12 ILE 51 - QG1 VAL 25 OK 11 98 - 11 - 4893/3.9=2, 4898/2.1=2...(5) QG2 THR 55 - QG1 VAL 25 poor 10 78 - 12 - 5870/2.1=3, 4893/3.9=2...(5) QG1 VAL 95 - QG1 VAL 25 poor 7 63 - 11 - 2.1/6906=5, 4898/2.1=1 Peak 4903 from cnoeabs.peaks (1.15, 0.82, 22.47 ppm; 3.42 A): 2 out of 10 assignments used, quality = 0.95: HB3 LEU 21 + QG2 VAL 25 OK 77 99 - 78 - 4901/2.1=15, 3.1/4913=13...(25) HB2 LEU 21 + QG2 VAL 25 OK 76 97 - 78 - 4901/2.1=15, 3.1/4913=13...(25) HB3 LEU 21 - QG1 VAL 30 OK 31 60 - 52 - ~5108=7, 3.1/4913=7...(19) HB2 LEU 21 - QG1 VAL 30 OK 31 59 - 52 - ~5108=7, 3.1/4913=7...(19) HG13 ILE 27 - QG2 VAL 25 OK 20 93 - 21 - 4976/5112=4, 4901/2.1=4...(7) QG2 THR 15 - QG2 VAL 25 lone 10 97 - 10 - 4901/2.1=2, 3.2/4564=1...(5) HG13 ILE 27 - QG1 VAL 30 poor 9 54 - 16 - ~4984=3, 3.8/4957=3...(5) QG2 THR 15 - QG1 VAL 30 lone 5 59 - 9 - 3.2/4564=2, 4.1/620=2 QG2 THR 46 - QG2 VAL 25 lone 2 87 - 2 - QG2 THR 46 - QG1 VAL 30 lone 1 49 - 2 - Peak 4904 from cnoeabs.peaks (0.97, 0.82, 22.47 ppm; 3.40 A): 6 out of 8 assignments used, quality = 0.65: QD1 LEU 62 + QG2 VAL 25 OK 23 65 - 36 - 5963/3.9=8, ~4899=5...(12) QG1 VAL 95 + QG2 VAL 25 OK 17 99 - 17 - ~6906=3, 6913=2...(6) QB ALA 66 + QG2 VAL 25 OK 17 96 - 18 - 6028/5112=6, 4821/4913=3...(5) QB ALA 66 + QG1 VAL 30 OK 14 57 - 25 - 6026/2.1=4, 6028/5112=3...(8) QG1 VAL 95 + QG1 VAL 30 OK 13 60 - 21 - 6913=3, 6913/2.1=2...(5) QD1 ILE 27 + QG2 VAL 25 OK 11 73 - 15 - 4980/5112=4, 2.1/4903=2...(7) QD1 ILE 27 - QG1 VAL 30 poor 9 39 - 24 - 5083/4.2=6, 5039/3.9=5...(7) QD1 LEU 62 - QG1 VAL 30 lone 3 34 - 10 - 5962/5112=2, 4.5/878=1 Peak 4905 from cnoeabs.peaks (3.73, 0.79, 21.07 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.72: HA2 GLY 64 + QG1 VAL 25 OK 55 97 - 57 - 3.0/4881=12, 1.8/4906=12...(13) HA VAL 30 + QG1 VAL 25 OK 30 96 - 31 - 3.0/4880=4, 5104/4911=3...(16) HA2 GLY 20 + QG1 VAL 25 OK 12 100 - 12 - 3.6/1029=3, 4765/3808=2...(5) HB THR 42 - QG1 VAL 25 lone 2 100 - 2 - Peak 4906 from cnoeabs.peaks (4.25, 0.79, 21.07 ppm; 4.23 A): 4 out of 9 assignments used, quality = 0.86: HA3 GLY 64 + QG1 VAL 25 OK 65 97 - 67 - 1.8/4905=25, 3.0/4881=16...(12) HA LYS 63 + QG1 VAL 25 OK 36 81 - 45 - 3.6/4881=14, 4.9/4905=12...(9) HA VAL 68 + QG1 VAL 25 OK 31 100 - 31 - 3.2/4911=11, ~4908=4...(9) HA3 GLY 85 + QG1 VAL 25 OK 13 95 - 13 - 3.6/6658=5, 5995=2 HA ALA 79 - QG1 VAL 25 lone 6 87 - 7 - 4799/4864=1 HA ILE 37 - QG1 VAL 25 lone 4 73 - 6 - 3.0/4899=1 HA LYS 45 - QG1 VAL 25 lone 4 99 - 4 - 3.0/4881=1 HD2 PRO 73 - QG1 VAL 25 lone 1 71 - 2 - HA GLU 58 - QG1 VAL 25 lone 1 92 - 1 - Peak 4907 from cnoeabs.peaks (0.61, 1.99, 32.18 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 53 + HB VAL 25 OK 91 99 - 92 - 4910/2.1=48, 5112/2.1=31...(20) QD2 LEU 53 + HB2 LYS 77 OK 20 84 - 24 - 5805=4, 2.1/5808=4...(7) Peak 4908 from cnoeabs.peaks (0.30, 1.99, 32.18 ppm; 4.76 A): 3 out of 4 assignments used, quality = 0.94: QD1 LEU 21 + HB VAL 25 OK 85 92 - 92 - 4911/2.1=34, ~4912=27...(20) QG2 VAL 68 + HB VAL 25 OK 44 100 - 44 - 4911/2.1=14, 4913/2.1=7...(12) QD1 LEU 21 + HB2 LYS 77 OK 32 75 - 42 - ~6421=9, ~6420=8...(10) QG2 VAL 68 - HB2 LYS 77 lone 6 87 - 7 - ~6147=1 Peak 4909 from cnoeabs.peaks (-0.19, 1.99, 32.18 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.99: QD2 LEU 21 + HB VAL 25 OK 92 100 - 92 - 4912/2.1=32, ~4911=25...(20) QD1 ILE 80 + HB2 LYS 77 OK 71 81 - 87 - 6528/3.0=29, 6421/1.8=20...(18) QD2 LEU 21 + HB2 LYS 77 OK 47 86 - 54 - 6421/1.8=12, 6420/3.0=11...(13) QD1 ILE 80 - HB VAL 25 OK 22 97 - 22 - 4912/2.1=6, 4914/2.1=6...(5) Peak 4910 from cnoeabs.peaks (0.61, 0.79, 21.07 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 53 + QG1 VAL 25 OK 60 100 - 60 - 5112/2.1=18, 4907/2.1=10...(16) Peak 4911 from cnoeabs.peaks (0.29, 0.79, 21.07 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.83: QD1 LEU 21 + QG1 VAL 25 OK 75 97 - 78 - 2.1/4912=24, 4913/2.1=16...(22) QG2 VAL 68 + QG1 VAL 25 OK 31 100 - 31 - 4913/2.1=5, 4908/2.1=5...(11) Peak 4912 from cnoeabs.peaks (-0.20, 0.79, 21.07 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.75: QD2 LEU 21 + QG1 VAL 25 OK 72 87 - 83 - 2.1/4911=28, 4914/2.1=14...(27) QD1 ILE 80 + QG1 VAL 25 OK 13 68 - 19 - 4914/2.1=4, 5824/4910=3...(4) Peak 4913 from cnoeabs.peaks (0.29, 0.82, 22.47 ppm; 3.05 A): 4 out of 4 assignments used, quality = 0.87: QD1 LEU 21 + QG2 VAL 25 OK 67 97 - 68 - 4911/2.1=19, ~4912=11...(16) QD1 LEU 21 + QG1 VAL 30 OK 35 59 - 59 - 5107/2.1=12, 4822=9...(16) QG2 VAL 68 + QG1 VAL 30 OK 26 63 - 42 - 5107/2.1=10, 5106/2.1=5...(14) QG2 VAL 68 + QG2 VAL 25 OK 22 100 - 22 - 4911/2.1=8, 4908/2.1=3...(6) Peak 4914 from cnoeabs.peaks (-0.19, 0.82, 22.47 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.94: QD2 LEU 21 + QG2 VAL 25 OK 82 100 - 82 - 4912/2.1=25, 2.1/4913=19...(24) QD2 LEU 21 + QG1 VAL 30 OK 46 63 - 74 - 5108/2.1=19, ~5107=10...(21) QD1 ILE 80 + QG2 VAL 25 OK 20 96 - 21 - 4912/2.1=5, 4909/2.1=2...(4) QD1 ILE 80 + QG1 VAL 30 OK 20 57 - 36 - 5108/2.1=10, 5105/3.2=6...(7) Peak 4918 from cnoeabs.peaks (8.80, 1.26, 21.58 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.74: H GLU 28 + QG2 THR 26 OK 68 100 - 68 - 87/4.0=30, 4987=21...(6) H ILE 16 + QG2 THR 26 OK 19 89 - 21 - 1079/4.0=5, 4.1/4569=3...(8) H ASN 43 - QG2 THR 26 lone 7 97 - 7 - 1079/4.0=3, 94/4919=1 H LEU 62 - QG2 THR 26 lone 1 60 - 1 - Peak 4919 from cnoeabs.peaks (8.22, 1.26, 21.58 ppm; 4.90 A): 3 out of 4 assignments used, quality = 0.89: H SER 29 + QG2 THR 26 OK 86 99 - 87 - 1139/4.0=29, 5022=26...(9) H GLY 20 + QG2 THR 26 OK 12 98 - 12 - 1136/4.0=4, 4916/4.0=3...(4) H ASP 12 + QG2 THR 26 OK 10 99 - 10 - 1136/4.0=3, 4916/4.0=2 H GLU 87 - QG2 THR 26 lone 5 60 - 8 - 4.6/995=1, 3.0/1563=1...(4) Peak 4921 from cnoeabs.peaks (4.16, 1.26, 21.58 ppm; 4.10 A): 1 out of 6 assignments used, quality = 0.73: HA VAL 25 + QG2 THR 26 OK 73 97 - 76 - 4086/4.0=31, 4896=30...(7) HA THR 99 - QG2 THR 26 lone 4 78 - 5 - 7030=2, 79/4.0=1 HA ALA 78 - QG2 THR 26 lone 2 100 - 2 - HA3 GLY 90 - QG2 THR 26 lone 1 100 - 1 - HA3 GLY 47 - QG2 THR 26 lone 1 89 - 1 - HA3 GLY 60 - QG2 THR 26 lone 1 89 - 1 - Peak 4922 from cnoeabs.peaks (4.01, 1.26, 21.58 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.57: HB2 SER 29 + QG2 THR 26 OK 57 99 - 58 - 4920/4.0=24, 4.0/4919=19...(5) HB3 SER 89 - QG2 THR 26 lone 6 90 - 6 - 4920/4.0=3, 5030=2 HA SER 75 - QG2 THR 26 lone 3 99 - 3 - 4920/4.0=2 HA ARG 57 - QG2 THR 26 lone 2 99 - 2 - HA LYS 44 - QG2 THR 26 lone 2 81 - 2 - Peak 4928 from cnoeabs.peaks (0.80, 1.26, 21.58 ppm; 4.03 A): 2 out of 5 assignments used, quality = 0.80: QG1 VAL 25 + QG2 THR 26 OK 58 97 - 60 - 3.2/4921=25, 4.3/1562=25...(6) QG2 VAL 25 + QG2 THR 26 OK 52 90 - 57 - 3.2/4921=25, 4.3/1562=25...(6) QD1 ILE 93 - QG2 THR 26 lone 9 93 - 9 - 6816/2.1=2, 4929/3.2=2...(5) QG2 ILE 16 - QG2 THR 26 lone 6 63 - 10 - 4.0/4918=5 QG2 ILE 40 - QG2 THR 26 lone 6 93 - 6 - 3.3/5442=1 Peak 4929 from cnoeabs.peaks (0.79, 4.72, 58.37 ppm; 3.34 A): 3 out of 5 assignments used, quality = 0.90: QG1 VAL 25 + HA THR 26 OK 69 100 - 70 - 4088/3.0=21, ~4087=11...(15) QD1 LEU 53 + HA THR 26 OK 47 85 - 56 - 5791/3.6=15, 5787/3.0=10...(13) QG2 VAL 25 + HA THR 26 OK 35 57 - 62 - ~4088=12, ~4087=11...(13) QD1 ILE 93 - HA THR 26 lone 8 100 - 8 - 4955/3.6=1, 4928/3.2=1, 81/3.0=1 QG2 ILE 40 - HA THR 26 lone 2 63 - 2 - Peak 4930 from cnoeabs.peaks (8.71, 0.93, 16.99 ppm; 4.76 A): 4 out of 4 assignments used, quality = 0.93: H ALA 31 + QG2 ILE 27 OK 87 100 - 87 - 1148/3.2=29, 2.9/7178=19...(25) H ILE 40 + QG2 ILE 27 OK 31 99 - 31 - 4410/3.2=8, 4.7/4967=7...(10) H GLN 19 + QG2 ILE 27 OK 12 85 - 14 - 4410/3.2=4, 5707/4967=2 H LYS 41 + QG2 ILE 27 OK 12 63 - 19 - 5695/5658=3, 4.6/166=3...(7) Peak 4931 from cnoeabs.peaks (8.26, 0.93, 16.99 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.49: H SER 29 + QG2 ILE 27 OK 49 60 - 82 - 3.6/4947=24, 4.6/4095=21...(14) H ASP 12 - QG2 ILE 27 poor 7 57 - 11 - 1080/4.3=3, 1136/4.0=2...(4) Peak 4932 from cnoeabs.peaks (7.99, 0.93, 16.99 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.84: H VAL 30 + QG2 ILE 27 OK 75 92 - 82 - 1143/3.2=30, 4.6/4931=22...(14) H PHE 34 + QG2 ILE 27 OK 26 100 - 26 - 4407/3.2=6, 5180/4930=4...(8) H GLY 22 + QG2 ILE 27 OK 16 97 - 16 - 1137/4.3=3, 4407/3.2=2...(5) H LYS 63 - QG2 ILE 27 lone 9 97 - 9 - 1137/4.3=1, 4407/3.2=1 H LYS 86 - QG2 ILE 27 poor 8 73 - 10 - 6668/3.2=3, 7.0/4972=2 Peak 4933 from cnoeabs.peaks (7.72, 0.93, 16.99 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.91: H ILE 51 + QG2 ILE 27 OK 91 100 - 91 - 4936/2.8=33, 4937/3.2=25...(15) Peak 4935 from cnoeabs.peaks (8.58, 0.95, 12.61 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.72: H LEU 53 + QD1 ILE 27 OK 72 100 - 72 - 4.6/4980=25, 5816=18...(13) H GLU 58 - QD1 ILE 27 lone 5 76 - 7 - 2574/4980=2 Peak 4936 from cnoeabs.peaks (7.72, 0.95, 12.61 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.84: H ILE 51 + QD1 ILE 27 OK 84 100 - 85 - 4933/2.8=34, 4937/2.1=30...(14) Peak 4937 from cnoeabs.peaks (7.72, 1.16, 28.79 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.85: H ILE 51 + HG13 ILE 27 OK 85 100 - 86 - 4936/2.1=45, 4933/3.2=39...(8) Peak 4938 from cnoeabs.peaks (7.71, 1.66, 28.79 ppm; 5.07 A): 2 out of 9 assignments used, quality = 0.87: H ILE 51 + HG12 ILE 27 OK 84 100 - 84 - 4936/2.1=41, 4937/1.8=36...(8) H ILE 51 + HG12 ILE 40 OK 18 58 - 31 - ~5429=8, ~5424=7...(6) H ILE 51 - HD2 LYS 94 poor 9 69 - 13 - 1099/6.1=4, 823/2.9=1...(6) H ILE 51 - HD3 LYS 94 poor 9 69 - 13 - 1099/6.1=4, 823/2.9=1...(6) H ILE 51 - HD3 LYS 63 lone 5 63 - 8 - ~7102=2, 823/3.0=1, 823/3.0=1 H ILE 51 - HD3 LYS 61 lone 4 63 - 7 - H ILE 51 - HD2 LYS 61 lone 4 63 - 7 - H ILE 51 - HD2 LYS 44 lone 2 45 - 5 - 4.9/5746=1 H ILE 51 - HD3 LYS 44 lone 2 42 - 5 - 4.9/5746=1 Peak 4941 from cnoeabs.peaks (3.99, 3.51, 65.32 ppm; 5.20 A): 2 out of 6 assignments used, quality = 0.97: HA GLU 28 + HA ILE 27 OK 93 98 - 95 - 3.6/1138=30, ~87=27...(21) HB2 SER 29 + HA ILE 27 OK 51 89 - 58 - 4.0/1138=28, 4.6/1143=27...(8) HA LYS 44 - HA ILE 27 OK 25 100 - 25 - 5543/5738=5, 4947/3.2=5...(10) HB3 SER 96 - HA ILE 27 OK 20 73 - 27 - 4943/3.0=5, 4947/3.2=5...(10) HB3 SER 89 - HA ILE 27 lone 6 99 - 6 - HA SER 75 - HA ILE 27 lone 3 60 - 5 - 6364/5046=1 Peak 4942 from cnoeabs.peaks (4.71, 3.51, 65.32 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.97: HA THR 26 + HA ILE 27 OK 75 97 - 78 - 84/3.0=28, ~4091=18...(15) HA LEU 53 + HA ILE 27 OK 69 99 - 70 - 4.0/4959=29, 4.0/5810=24...(11) HB THR 26 + HA ILE 27 OK 57 76 - 76 - 4091/3.0=28, ~4092=22...(14) HA SER 96 - HA ILE 27 OK 25 97 - 25 - 4944/3.0=4, 4948/3.2=3...(11) HA GLU 87 - HA ILE 27 OK 17 99 - 16 - 4944/3.0=2, 5008/3.6=2...(6) Peak 4943 from cnoeabs.peaks (3.98, 1.87, 37.41 ppm; 5.20 A): 1 out of 5 assignments used, quality = 0.96: HA GLU 28 + HB ILE 27 OK 96 100 - 97 - 2.9/4094=32, 4947/2.1=30...(22) HB3 SER 96 - HB ILE 27 OK 22 85 - 26 - 4947/2.1=5, 3.0/4944=5...(8) HA LYS 44 - HB ILE 27 OK 19 99 - 19 - 4947/2.1=5, 4941/3.0=4...(5) HB2 SER 29 - HB ILE 27 OK 15 78 - 19 - 4941/3.0=9, 4947/2.1=7...(4) HB3 SER 89 - HB ILE 27 lone 4 96 - 4 - 4941/3.0=1 Peak 4944 from cnoeabs.peaks (4.70, 1.87, 37.41 ppm; 4.22 A): 4 out of 6 assignments used, quality = 0.93: HA LEU 53 + HB ILE 27 OK 61 100 - 62 - 4.0/4962=19, ~4935=12...(10) HB THR 26 + HB ILE 27 OK 52 93 - 56 - 4.4/1573=27, 5008/4.4=9...(12) HA THR 26 + HB ILE 27 OK 50 83 - 61 - 3.6/1573=34, 5008/4.4=10...(12) HA SER 96 + HB ILE 27 OK 25 100 - 24 - 4948/2.1=4, 3.0/4943=3...(10) HA GLN 48 - HB ILE 27 OK 17 60 - 28 - ~5613=8, 4948/2.1=7...(8) HA GLU 87 - HB ILE 27 OK 15 100 - 14 - 4948/2.1=2, 4942/3.0=2...(8) Peak 4945 from cnoeabs.peaks (3.67, 0.93, 16.99 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.91: HD3 PRO 49 + QG2 ILE 27 OK 91 100 - 92 - 1.8/4946=29, 5654=23...(20) HA2 GLY 47 - QG2 ILE 27 lone 7 98 - 7 - 5606/5617=1, 4951/2.8=1...(4) HD2 PRO 74 - QG2 ILE 27 lone 6 73 - 8 - 5654=2, 2.3/4969=1, ~4985=1 HA LEU 21 - QG2 ILE 27 lone 6 73 - 8 - 3.6/4932=2, 4815/5752=2, ~1571=1 Peak 4946 from cnoeabs.peaks (3.85, 0.93, 16.99 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.93: HD2 PRO 49 + QG2 ILE 27 OK 93 99 - 95 - 1.8/4945=35, 2.3/5642=26...(20) HB2 SER 11 - QG2 ILE 27 lone 6 100 - 6 - 4.6/4931=2, 4952/2.8=1 HB THR 55 - QG2 ILE 27 lone 4 85 - 5 - 4952/2.8=1 Peak 4947 from cnoeabs.peaks (3.98, 0.93, 16.99 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.92: HA GLU 28 + QG2 ILE 27 OK 92 100 - 92 - 4992=21, 2.9/4095=21...(29) HB2 SER 29 - QG2 ILE 27 OK 21 68 - 31 - 4.0/4931=15, 4.6/4932=9...(7) HB3 SER 96 - QG2 ILE 27 OK 17 92 - 18 - 4943/2.1=3, 3.0/4948=3...(8) HA LYS 44 - QG2 ILE 27 OK 16 97 - 17 - 3.7/4965=3, 4943/2.1=3...(5) HB3 SER 89 - QG2 ILE 27 lone 3 90 - 3 - Peak 4948 from cnoeabs.peaks (4.69, 0.93, 16.99 ppm; 4.28 A): 4 out of 6 assignments used, quality = 0.96: HA LEU 53 + QG2 ILE 27 OK 64 99 - 65 - 4.0/4968=25, ~4935=14...(10) HB THR 26 + QG2 ILE 27 OK 57 98 - 58 - 4091/4.0=29, 5008/4.3=10...(12) HA GLN 48 + QG2 ILE 27 OK 50 73 - 68 - 3.8/4945=24, 3.8/4946=24...(13) HA THR 26 + QG2 ILE 27 OK 43 71 - 60 - 3.6/1580=31, 5008/4.3=11...(13) HA SER 96 - QG2 ILE 27 OK 26 100 - 25 - 4944/2.1=4, 3.0/4947=4...(10) HA GLU 87 - QG2 ILE 27 OK 16 99 - 15 - 4944/2.1=3, 3.0/4965=2...(7) Peak 4949 from cnoeabs.peaks (4.70, 1.66, 28.79 ppm; 5.56 A): 3 out of 54 assignments used, quality = 0.95: HA LEU 53 + HG12 ILE 27 OK 69 100 - 69 - ~4935=28, 4950/1.8=16...(9) HB THR 26 + HG12 ILE 27 OK 62 93 - 67 - 4091/4.6=36, 4944/2.8=11...(9) HA THR 26 + HG12 ILE 27 OK 55 83 - 67 - 3.6/1587=34, 4950/1.8=13...(9) HA SER 96 - HG12 ILE 27 OK 30 100 - 29 - 4944/2.8=5, 4950/1.8=5...(8) HA GLN 48 - HG12 ILE 27 OK 25 60 - 41 - ~5613=13, ~4984=10...(7) HA GLU 87 - HG12 ILE 27 OK 19 100 - 18 - 4944/2.8=3, 4950/1.8=3...(7) HA GLU 87 - HD3 LYS 94 poor 8 69 - 12 - ~405=3, ~408=3, ~1004=2, ~1003=2 HA GLU 87 - HD2 LYS 94 poor 8 69 - 12 - ~405=3, ~408=3, ~1004=2, ~1003=2 HA SER 96 - HD3 LYS 94 lone 6 70 - 9 - ~6941=5, 6954/6898=2 HA SER 96 - HD2 LYS 94 lone 6 70 - 9 - ~6941=5, 6954/6898=2 HA SER 96 - HG12 ILE 40 lone 5 58 - 8 - ~5414=1 HB THR 26 - HG12 ILE 40 lone 4 50 - 9 - 4.4/683=3, ~5442=2, ~4928=1 HA THR 26 - HG12 ILE 40 lone 4 42 - 10 - 3.6/1587=3, ~5442=1, ~4928=1 HA GLU 87 - HD3 LYS 61 lone 4 63 - 6 - 6764/6.0=2 HA GLU 87 - HD2 LYS 61 lone 4 63 - 6 - 6764/6.0=2 HA LEU 53 - HG12 ILE 40 lone 3 58 - 6 - ~837=2 HA LEU 53 - HD3 LYS 94 lone 3 69 - 4 - HA LEU 53 - HD2 LYS 94 lone 3 69 - 4 - HA GLU 87 - HD3 LYS 63 lone 3 63 - 4 - ~408=2 HA LEU 53 - HD3 LYS 61 lone 2 63 - 4 - HA LEU 53 - HD2 LYS 61 lone 2 63 - 4 - HA GLN 48 - HG12 ILE 40 lone 2 28 - 8 - ~5387=3, ~5438=1, ~5445=1 HA SER 96 - HD2 LYS 61 lone 2 64 - 3 - HA SER 96 - HD3 LYS 61 lone 2 64 - 3 - HA SER 96 - HD3 LYS 63 lone 2 63 - 3 - HB THR 26 - HD3 LYS 94 lone 2 60 - 4 - 4.4/1587=1 HB THR 26 - HD2 LYS 94 lone 2 60 - 4 - 4.4/1587=1 HA LEU 53 - HD3 LYS 63 lone 2 63 - 3 - 4697/4867=1 HA GLU 87 - HG12 ILE 40 lone 2 58 - 4 - ~5435=1 HA GLU 87 - HD2 LYS 44 lone 2 45 - 4 - HA THR 26 - HD3 LYS 94 lone 2 51 - 4 - 3.6/1587=1 HA THR 26 - HD2 LYS 94 lone 2 51 - 4 - 3.6/1587=1 HB THR 26 - HD2 LYS 61 lone 2 55 - 3 - HB THR 26 - HD3 LYS 61 lone 2 55 - 3 - HA GLU 87 - HD3 LYS 44 lone 2 43 - 4 - HB THR 26 - HD2 LYS 44 lone 2 39 - 4 - 4.4/683=2 HA THR 26 - HD2 LYS 61 lone 2 46 - 4 - 3.6/1587=1 HA THR 26 - HD3 LYS 61 lone 2 46 - 4 - 3.6/1587=1 HB THR 26 - HD3 LYS 44 lone 2 36 - 4 - 4.4/683=2 HA THR 26 - HD2 LYS 44 lone 2 32 - 5 - 3.6/683=2 HA LEU 53 - HD2 LYS 44 lone 2 45 - 3 - HB THR 26 - HD3 LYS 63 lone 1 54 - 3 - HA THR 26 - HD3 LYS 44 lone 1 30 - 5 - 3.6/683=2 HA LEU 53 - HD3 LYS 44 lone 1 43 - 3 - HA SER 96 - HD2 LYS 44 lone 1 46 - 3 - HA THR 26 - HD3 LYS 63 lone 1 46 - 3 - HA SER 96 - HD3 LYS 44 lone 1 43 - 3 - HA GLN 48 - HD2 LYS 94 lone 1 35 - 3 - HA GLN 48 - HD3 LYS 94 lone 1 35 - 3 - HA GLN 48 - HD2 LYS 61 lone 1 31 - 2 - HA GLN 48 - HD3 LYS 61 lone 1 31 - 2 - HA GLN 48 - HD3 LYS 63 lone 1 31 - 2 - HA GLN 48 - HD2 LYS 44 lone 1 21 - 3 - HA GLN 48 - HD3 LYS 44 lone 1 20 - 3 - Peak 4950 from cnoeabs.peaks (4.71, 1.16, 28.79 ppm; 4.74 A): 3 out of 5 assignments used, quality = 0.95: HA LEU 53 + HG13 ILE 27 OK 76 99 - 77 - 4.0/4976=27, 4.0/4975=25...(12) HA THR 26 + HG13 ILE 27 OK 62 97 - 64 - 3.6/1594=37, 4942/3.8=9...(12) HB THR 26 + HG13 ILE 27 OK 44 76 - 58 - 4.4/1594=31, 4944/2.8=9...(11) HA SER 96 - HG13 ILE 27 OK 23 97 - 23 - 4944/2.8=4, 4942/3.8=3...(9) HA GLU 87 - HG13 ILE 27 OK 15 99 - 14 - 4944/2.8=3, 4942/3.8=2...(6) Peak 4951 from cnoeabs.peaks (3.66, 0.95, 12.61 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.89: HD3 PRO 49 + QD1 ILE 27 OK 89 96 - 93 - 4945/2.8=30, 1.8/4952=29...(17) HB3 SER 69 - QD1 ILE 27 poor 8 65 - 12 - 5688/4985=3, ~6184=2...(5) HA2 GLY 47 - QD1 ILE 27 lone 6 87 - 7 - 4945/2.8=2, 5600/5613=1 Peak 4952 from cnoeabs.peaks (3.83, 0.95, 12.61 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.96: HD2 PRO 49 + QD1 ILE 27 OK 96 100 - 97 - 1.8/4951=39, 4946/2.8=33...(19) HB THR 55 - QD1 ILE 27 lone 6 99 - 6 - 4946/2.8=1, 5599/5613=1 HB2 SER 11 - QD1 ILE 27 lone 6 97 - 6 - 4946/2.8=2 Peak 4954 from cnoeabs.peaks (4.94, 0.95, 12.61 ppm; 4.64 A): 2 out of 5 assignments used, quality = 0.58: HA ASN 52 + QD1 ILE 27 OK 54 100 - 54 - 3.6/4935=27, 2.9/5768=8...(10) HA VAL 18 + QD1 ILE 27 OK 10 83 - 12 - 3.0/4708=3, 3.0/4714=2...(4) HA LYS 35 - QD1 ILE 27 poor 10 73 - 13 - 5799/4980=2, 5227/4979=2...(6) HA ASN 24 - QD1 ILE 27 lone 9 99 - 9 - 5799/4980=3, 236/4935=2 HA VAL 95 - QD1 ILE 27 poor 8 76 - 10 - 5799/4980=2 Peak 4957 from cnoeabs.peaks (0.85, 3.51, 65.32 ppm; 3.33 A): 5 out of 9 assignments used, quality = 0.94: QG2 VAL 30 + HA ILE 27 OK 64 100 - 64 - 5046=23, 2.1/4409=19...(11) QG1 VAL 30 + HA ILE 27 OK 58 99 - 59 - 2.1/4409=19, 2.1/5046=19...(9) QD1 ILE 51 + HA ILE 27 OK 44 73 - 61 - 3.2/5730=19, 5738=15...(17) QD2 LEU 62 + HA ILE 27 OK 13 97 - 13 - 7100/5810=4, 5052/4959=4, 5046=3 QG2 ILE 80 + HA ILE 27 OK 12 100 - 12 - 3.2/4960=1, 4324/1143=1 QG2 ILE 16 - HA ILE 27 poor 9 87 - 11 - 1296/3.6=3 QG2 ILE 37 - HA ILE 27 lone 7 100 - 7 - QG1 VAL 18 - HA ILE 27 lone 5 78 - 7 - 4.1/4410=2 QG2 THR 42 - HA ILE 27 lone 4 65 - 6 - 4173/3.6=2 Peak 4958 from cnoeabs.peaks (0.74, 3.51, 65.32 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.78: QG2 ILE 51 + HA ILE 27 OK 60 83 - 73 - 5730=26, 4967/3.2=15...(18) QD1 ILE 40 + HA ILE 27 OK 37 97 - 38 - 4967/3.2=5, 4975/3.8=5...(14) QG2 ILE 93 + HA ILE 27 OK 13 89 - 15 - 4967/3.2=2, 5051/5046=2...(8) Peak 4959 from cnoeabs.peaks (0.62, 3.51, 65.32 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 53 + HA ILE 27 OK 92 96 - 96 - 5803=43, 2.1/5810=30...(20) Peak 4960 from cnoeabs.peaks (1.47, 3.51, 65.32 ppm; 4.02 A): 3 out of 8 assignments used, quality = 0.98: HB ILE 51 + HA ILE 27 OK 79 92 - 86 - 2.1/5730=35, 3.2/5738=23...(21) QB ALA 31 + HA ILE 27 OK 76 98 - 78 - 5081=26, 2.9/1148=23...(18) HG LEU 53 + HA ILE 27 OK 58 65 - 89 - 2.1/4959=36, 2.1/5810=31...(17) HG2 LYS 44 - HA ILE 27 OK 21 100 - 21 - 4988/3.6=3, 3.7/4941=2...(9) HG12 ILE 80 - HA ILE 27 OK 19 83 - 23 - 4978/4.2=2, 4966/3.2=2...(11) QG2 THR 67 - HA ILE 27 OK 18 83 - 22 - 6101/4.2=4, 6092/3.8=4...(6) HB2 LYS 41 - HA ILE 27 OK 15 100 - 15 - 4988/3.6=2, 4966/3.2=1...(7) HG2 LYS 86 - HA ILE 27 poor 8 76 - 10 - 4.7/6668=2, 7127=2...(4) Peak 4961 from cnoeabs.peaks (0.74, 1.87, 37.41 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.93: QD1 LEU 53 + HB ILE 27 OK 64 68 - 93 - 2.1/4962=25, 4975/2.8=25...(19) QG2 ILE 51 + HB ILE 27 OK 62 71 - 87 - 4967/2.1=26, 4958/3.0=21...(20) QD1 ILE 40 + HB ILE 27 OK 44 99 - 44 - 4958/3.0=13, 4975/2.8=11...(9) QG2 ILE 93 + HB ILE 27 OK 13 78 - 17 - 4958/3.0=5, 4967/2.1=4...(5) Peak 4962 from cnoeabs.peaks (0.62, 1.87, 37.41 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 53 + HB ILE 27 OK 89 90 - 98 - 4968/2.1=46, 4959/3.0=43...(19) Peak 4963 from cnoeabs.peaks (1.46, 1.87, 37.41 ppm; 4.25 A): 3 out of 10 assignments used, quality = 0.99: HB ILE 51 + HB ILE 27 OK 91 100 - 91 - 5748/2.1=26, 5726/3.0=20...(21) QB ALA 31 + HB ILE 27 OK 78 100 - 78 - 5081/3.0=26, 7178/2.1=20...(17) HG13 ILE 51 + HB ILE 27 OK 56 68 - 83 - ~5738=16, ~4967=14...(20) QG2 THR 67 - HB ILE 27 OK 33 99 - 33 - 6101/3.2=7, 6092/2.8=6...(9) HG12 ILE 80 - HB ILE 27 OK 26 99 - 26 - 2.1/6508=4, 4966/2.1=3...(10) HG2 LYS 44 - HB ILE 27 OK 21 95 - 22 - ~4965=3, 4988/4.4=3...(7) HB2 LYS 41 - HB ILE 27 OK 11 97 - 11 - 4966/2.1=2, 4978/3.2=2...(5) HG3 LYS 94 - HB ILE 27 lone 4 87 - 5 - HG2 LYS 63 - HB ILE 27 lone 2 68 - 3 - HG3 LYS 63 - HB ILE 27 lone 2 68 - 3 - Peak 4965 from cnoeabs.peaks (1.56, 0.93, 16.99 ppm; 3.80 A): 2 out of 7 assignments used, quality = 0.90: HB3 PRO 49 + QG2 ILE 27 OK 89 100 - 89 - 3.0/4945=23, 3.0/4946=22...(20) HG3 LYS 44 + QG2 ILE 27 OK 13 100 - 13 - 3.7/4947=3, 1.8/4966=2...(5) HD2 LYS 86 - QG2 ILE 27 lone 8 89 - 8 - 3.0/4972=3, ~7127=1, ~6682=1 HB3 GLU 87 - QG2 ILE 27 lone 7 100 - 7 - 3.0/4948=2, ~4944=1 HG2 LYS 77 - QG2 ILE 27 lone 3 98 - 3 - HG3 LYS 77 - QG2 ILE 27 lone 3 97 - 3 - HB3 LYS 94 - QG2 ILE 27 lone 3 78 - 4 - Peak 4966 from cnoeabs.peaks (1.46, 0.93, 16.99 ppm; 3.04 A): 3 out of 10 assignments used, quality = 0.95: HB ILE 51 + QG2 ILE 27 OK 78 100 - 78 - 5748=24, 2.1/4967=20...(25) QB ALA 31 + QG2 ILE 27 OK 63 100 - 63 - 7178=18, 5081/3.2=11...(18) HG13 ILE 51 + QG2 ILE 27 OK 43 68 - 63 - 3.2/4967=14, 3.0/5748=13...(24) QG2 THR 67 - QG2 ILE 27 OK 18 99 - 18 - 6101/2.8=3, 6092/3.2=3...(6) HG12 ILE 80 - QG2 ILE 27 OK 17 99 - 17 - 4978/2.8=2, 4963/2.1=1...(5) HG2 LYS 44 - QG2 ILE 27 OK 13 95 - 14 - 1.8/4965=2, 3.7/4947=2...(5) HB2 LYS 41 - QG2 ILE 27 OK 11 97 - 12 - 4978/2.8=1, 5664/4970=1 HG3 LYS 94 - QG2 ILE 27 lone 3 87 - 3 - HG2 LYS 63 - QG2 ILE 27 lone 2 68 - 3 - HG3 LYS 63 - QG2 ILE 27 lone 2 68 - 3 - Peak 4967 from cnoeabs.peaks (0.73, 0.93, 16.99 ppm; 3.16 A): 3 out of 3 assignments used, quality = 0.86: QG2 ILE 51 + QG2 ILE 27 OK 79 97 - 82 - 5752=27, 2.1/5748=17...(26) QD1 ILE 40 + QG2 ILE 27 OK 27 83 - 33 - 4958/3.2=7, 4979/2.8=5...(12) QG2 ILE 93 + QG2 ILE 27 OK 12 99 - 12 - 4958/3.2=3, 4979/2.8=2 Peak 4968 from cnoeabs.peaks (0.63, 0.93, 16.99 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.75: QD2 LEU 53 + QG2 ILE 27 OK 75 81 - 93 - 4959/3.2=30, 4980/2.8=27...(21) Peak 4969 from cnoeabs.peaks (1.96, 0.93, 16.99 ppm; 3.44 A): 2 out of 10 assignments used, quality = 0.89: HG3 PRO 49 + QG2 ILE 27 OK 70 81 - 87 - 2.3/4945=22, 5646=21...(20) HB3 GLU 28 + QG2 ILE 27 OK 62 89 - 70 - 3.0/4947=14, 3.7/4095=13...(17) HB VAL 95 - QG2 ILE 27 lone 6 92 - 7 - ~6039=2 HB2 GLU 65 - QG2 ILE 27 lone 5 90 - 5 - HG3 PRO 74 - QG2 ILE 27 lone 4 76 - 5 - 2.3/4945=2 HB2 LYS 77 - QG2 ILE 27 lone 4 89 - 5 - HG2 GLN 19 - QG2 ILE 27 lone 3 93 - 3 - HG3 PRO 73 - QG2 ILE 27 lone 2 97 - 2 - HB2 LYS 45 - QG2 ILE 27 lone 2 97 - 2 - HB3 LYS 45 - QG2 ILE 27 lone 2 97 - 2 - Peak 4970 from cnoeabs.peaks (2.03, 0.93, 16.99 ppm; 4.06 A): 2 out of 7 assignments used, quality = 0.65: HB3 MET 50 + QG2 ILE 27 OK 48 99 - 49 - 4.6/4933=18, 4.0/5658=13...(8) QE MET 50 + QG2 ILE 27 OK 32 100 - 32 - 5.4/5659=8, 6.0/5658=7...(8) HB2 LYS 35 - QG2 ILE 27 lone 6 90 - 7 - 5229/4967=2, ~4954=1 HG2 PRO 92 - QG2 ILE 27 lone 3 99 - 3 - HB3 GLU 23 - QG2 ILE 27 lone 2 68 - 3 - HB2 GLU 23 - QG2 ILE 27 lone 2 60 - 3 - HB3 GLN 36 - QG2 ILE 27 lone 1 85 - 1 - Peak 4971 from cnoeabs.peaks (2.22, 0.93, 16.99 ppm; 3.83 A): 3 out of 6 assignments used, quality = 0.96: HB2 PRO 49 + QG2 ILE 27 OK 89 100 - 89 - 1.8/4965=26, 3.0/4945=24...(19) HB3 GLN 48 + QG2 ILE 27 OK 42 71 - 60 - 4.8/4946=15, 4.8/4945=14...(13) HB VAL 30 + QG2 ILE 27 OK 31 63 - 50 - ~5046=12, 4409/3.2=11...(11) HG3 GLU 87 - QG2 ILE 27 lone 5 76 - 6 - 3.0/4965=2, 3.8/4948=1 HG2 GLU 65 - QG2 ILE 27 lone 4 63 - 6 - HG2 GLU 58 - QG2 ILE 27 lone 1 89 - 1 - Peak 4972 from cnoeabs.peaks (2.45, 0.93, 16.99 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.87: HG3 GLU 28 + QG2 ILE 27 OK 85 95 - 90 - 691/4.3=27, 3.7/4947=23...(16) HE2 LYS 86 + QG2 ILE 27 OK 14 99 - 14 - 691/4.3=4, 6682/2.1=3...(4) HB3 ASP 56 - QG2 ILE 27 lone 4 97 - 4 - Peak 4974 from cnoeabs.peaks (0.77, 1.66, 28.79 ppm; 3.12 A): 0 out of 1 assignment used, low quality = 0.40: QD1 ILE 40 - HG12 ILE 40 OK 40 40 - 100 - 2.1=100 Peak 4975 from cnoeabs.peaks (0.75, 1.16, 28.79 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.81: QD1 LEU 53 + HG13 ILE 27 OK 72 89 - 81 - 2.1/4976=20, ~4980=16...(16) QD1 ILE 40 + HG13 ILE 27 OK 31 100 - 31 - 4979/2.1=8, 4958/3.8=7...(8) Peak 4976 from cnoeabs.peaks (0.62, 1.16, 28.79 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 53 + HG13 ILE 27 OK 93 96 - 97 - 4980/2.1=42, 4968/3.2=34...(21) Peak 4977 from cnoeabs.peaks (1.47, 1.16, 28.79 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.95: HB ILE 51 + HG13 ILE 27 OK 75 92 - 82 - 5748/3.2=17, 3.8/4937=16...(20) QB ALA 31 + HG13 ILE 27 OK 60 98 - 61 - 5081/3.8=18, 7178/2.1=15...(14) HG LEU 53 + HG13 ILE 27 OK 54 65 - 83 - 2.1/4975=27, 2.1/4976=25...(16) QG2 THR 67 - HG13 ILE 27 OK 30 83 - 36 - 2.1/6094=7, 6092=6...(10) HG12 ILE 80 - HG13 ILE 27 OK 17 83 - 20 - 4978/2.1=4, ~6504=3...(9) HG2 LYS 44 - HG13 ILE 27 OK 14 100 - 14 - 4978/2.1=2, ~4965=2...(5) HB2 LYS 41 - HG13 ILE 27 OK 11 100 - 11 - 4978/2.1=2, 4966/3.2=1 HG2 LYS 86 - HG13 ILE 27 lone 4 76 - 5 - 7127/3.8=2 Peak 4978 from cnoeabs.peaks (1.47, 0.95, 12.61 ppm; 3.41 A): 3 out of 8 assignments used, quality = 0.93: HB ILE 51 + QD1 ILE 27 OK 75 97 - 78 - 5748/2.8=16, 5748=15...(19) QB ALA 31 + QD1 ILE 27 OK 65 100 - 65 - 7178=17, 7178/2.8=13...(18) QG2 THR 67 + QD1 ILE 27 OK 26 90 - 29 - 6092/2.1=5, 6101=4...(8) HG12 ILE 80 - QD1 ILE 27 OK 19 90 - 21 - 1.8/6504=3, 4966/2.8=2...(10) HG2 LYS 44 - QD1 ILE 27 OK 13 100 - 13 - 4966/2.8=2, ~4965=2...(5) HB2 LYS 41 - QD1 ILE 27 OK 11 100 - 11 - 4966/2.8=1, 4977/2.1=1 HG2 LYS 86 - QD1 ILE 27 lone 2 65 - 3 - HG3 LYS 94 - QD1 ILE 27 lone 2 65 - 3 - Peak 4979 from cnoeabs.peaks (0.74, 0.95, 12.61 ppm; 3.26 A): 4 out of 4 assignments used, quality = 0.87: QG2 ILE 51 + QD1 ILE 27 OK 52 71 - 74 - 4967/2.8=16, 4.0/4936=13...(24) QD1 LEU 53 + QD1 ILE 27 OK 52 68 - 76 - 2.1/4980=21, 4975/2.1=19...(17) QD1 ILE 40 + QD1 ILE 27 OK 34 99 - 34 - 4975/2.1=8, 4958/4.2=6...(9) QG2 ILE 93 + QD1 ILE 27 OK 11 78 - 14 - 4967/2.8=2, 4958/4.2=2...(4) Peak 4980 from cnoeabs.peaks (0.61, 0.95, 12.61 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 53 + QD1 ILE 27 OK 94 99 - 95 - 4976/2.1=31, 4968/2.8=28...(23) Peak 4983 from cnoeabs.peaks (1.98, 0.95, 12.61 ppm; 4.46 A): 2 out of 11 assignments used, quality = 0.96: HB3 GLU 28 + QD1 ILE 27 OK 86 100 - 86 - 3.7/93=17, 3.0/5003=14...(22) HG2 PRO 49 + QD1 ILE 27 OK 69 73 - 95 - 2.3/4951=31, 2.3/4952=27...(21) HB VAL 25 - QD1 ILE 27 OK 26 93 - 27 - 4907/4980=8, ~4901=4...(8) HB2 GLU 65 - QD1 ILE 27 OK 12 100 - 11 - 3.0/5999=3, 3.0/4984=2...(4) HG3 PRO 74 - QD1 ILE 27 OK 10 100 - 10 - 2.3/4985=3, ~4945=1...(4) HB2 LYS 77 - QD1 ILE 27 lone 8 100 - 8 - 4907/4980=2 HG2 GLN 19 - QD1 ILE 27 lone 5 100 - 4 - HB2 GLU 23 - QD1 ILE 27 lone 3 68 - 5 - HG3 PRO 73 - QD1 ILE 27 lone 2 60 - 3 - HB2 LYS 45 - QD1 ILE 27 lone 2 60 - 3 - HB3 LYS 45 - QD1 ILE 27 lone 2 60 - 3 - Peak 4984 from cnoeabs.peaks (2.20, 0.95, 12.61 ppm; 4.29 A): 3 out of 8 assignments used, quality = 0.95: HB3 GLN 48 + QD1 ILE 27 OK 69 100 - 70 - 4.8/4951=17, 5613=17...(13) HB2 PRO 49 + QD1 ILE 27 OK 69 76 - 92 - 3.0/4951=25, 1.8/5638=24...(21) HB VAL 30 + QD1 ILE 27 OK 47 100 - 48 - 4409/4.2=19, 4.4/5083=10...(10) HG2 GLU 65 - QD1 ILE 27 OK 11 100 - 11 - 3.9/5999=2, 3.0/4983=2...(4) HB2 PHE 88 - QD1 ILE 27 lone 7 83 - 8 - 6714/5752=1, 4408/4.2=1 HG3 GLU 87 - QD1 ILE 27 lone 7 100 - 6 - 4408/4.2=1, ~4965=1 HB3 PRO 92 - QD1 ILE 27 lone 4 63 - 6 - 4409/4.2=1 HG3 PRO 92 - QD1 ILE 27 lone 4 73 - 5 - Peak 4985 from cnoeabs.peaks (2.38, 0.95, 12.61 ppm; 5.08 A): 3 out of 5 assignments used, quality = 0.70: HG3 MET 50 + QD1 ILE 27 OK 45 100 - 45 - 4208/4936=14, ~4970=12...(10) HG3 GLN 48 + QD1 ILE 27 OK 37 60 - 61 - 3.0/5613=16, ~5617=14...(11) HB3 ASP 71 + QD1 ILE 27 OK 13 100 - 13 - 226/4936=4, 6272/2.1=2 HB3 PRO 74 - QD1 ILE 27 lone 10 100 - 10 - 2.3/4983=2, ~4945=1 HG2 PRO 73 - QD1 ILE 27 lone 3 76 - 4 - Peak 4992 from cnoeabs.peaks (0.93, 3.98, 60.18 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 27 + HA GLU 28 OK 94 100 - 94 - 4947=31, 4095/2.9=22...(28) QD1 ILE 27 + HA GLU 28 OK 78 87 - 89 - 2.8/4947=20, 93/2.9=16...(27) QD1 ILE 39 - HA GLU 28 OK 16 89 - 18 - 4155/4412=2, ~4996=2...(10) QB ALA 66 - HA GLU 28 poor 8 57 - 15 - 93/2.9=3, 5023/3.6=2...(7) Peak 4993 from cnoeabs.peaks (0.85, 3.98, 60.18 ppm; 4.91 A): 7 out of 9 assignments used, quality = 0.94: QG2 VAL 30 + HA GLU 28 OK 53 100 - 53 - 4.2/4412=23, 5073/3.6=16...(7) QG1 VAL 30 + HA GLU 28 OK 46 97 - 48 - 4.2/4412=23, 3.9/1141=15...(6) QD1 ILE 51 + HA GLU 28 OK 39 83 - 48 - 5724=14, 3.2/4413=8...(14) QG2 ILE 16 + HA GLU 28 OK 29 78 - 38 - 2.1/4994=6, 1296/2.9=5...(10) QG2 THR 42 + HA GLU 28 OK 21 76 - 27 - 5498=8, 4173/2.9=5...(7) QG2 ILE 80 + HA GLU 28 OK 20 99 - 20 - 3.2/4413=3, 5024/3.6=3...(10) QG2 ILE 37 + HA GLU 28 OK 10 100 - 10 - 5024/3.6=2, 2.1/4994=1, ~92=1 QG1 VAL 18 - HA GLU 28 lone 8 87 - 9 - 4.1/4412=3, 5024/3.6=1 QD2 LEU 62 - HA GLU 28 lone 7 93 - 7 - 5024/3.6=2 Peak 4994 from cnoeabs.peaks (1.86, 3.98, 60.18 ppm; 4.77 A): 2 out of 14 assignments used, quality = 0.97: HB ILE 27 + HA GLU 28 OK 95 100 - 95 - 4094/2.9=29, 2.1/4947=28...(21) HB ILE 16 + HA GLU 28 OK 36 99 - 37 - 89/2.9=7, ~4987=5...(10) HB3 LYS 44 - HA GLU 28 OK 34 100 - 34 - 2.9/4413=6, 5004/3.7=5...(11) HB2 LYS 44 - HA GLU 28 OK 34 100 - 34 - 2.9/4413=6, 5004/3.7=5...(11) HB2 LYS 63 - HA GLU 28 OK 15 89 - 17 - 7101/3.0=3, 5004/3.7=2...(7) HB ILE 37 - HA GLU 28 lone 7 98 - 7 - 2.1/4993=2, 89/2.9=1, ~92=1 HB2 GLU 87 - HA GLU 28 lone 4 83 - 5 - ~5008=1 HD3 LYS 77 - HA GLU 28 lone 3 100 - 3 - HB2 PRO 74 - HA GLU 28 lone 3 65 - 5 - HB2 LEU 62 - HA GLU 28 lone 3 63 - 5 - 4.4/4411=1 HB2 PRO 92 - HA GLU 28 lone 3 100 - 3 - HB2 LYS 61 - HA GLU 28 lone 2 68 - 3 - HB2 ARG 57 - HA GLU 28 lone 1 57 - 3 - HB3 ARG 57 - HA GLU 28 lone 1 57 - 3 - Peak 4995 from cnoeabs.peaks (1.46, 2.08, 28.54 ppm; 5.08 A): 3 out of 10 assignments used, quality = 0.94: QB ALA 31 + HB2 GLU 28 OK 84 100 - 84 - 4414/3.0=28, 5079/3.7=21...(15) HB ILE 51 + HB2 GLU 28 OK 45 100 - 46 - 4413/3.0=8, ~5724=7...(12) HG2 LYS 44 + HB2 GLU 28 OK 36 95 - 38 - 4413/3.0=7, 5001/3.0=6...(11) QG2 THR 67 - HB2 GLU 28 OK 26 99 - 27 - 6057/3.7=7, 4413/3.0=4...(7) HB2 LYS 41 - HB2 GLU 28 OK 24 97 - 25 - 5466/3.0=5, 4413/3.0=4...(8) HG13 ILE 51 - HB2 GLU 28 OK 22 68 - 33 - ~5724=9, ~5742=5...(9) HG12 ILE 80 - HB2 GLU 28 OK 20 99 - 20 - 4413/3.0=3, 5021/4.4=3...(9) HG2 LYS 63 - HB2 GLU 28 OK 10 68 - 15 - ~7101=3, ~7208=2...(8) HG3 LYS 63 - HB2 GLU 28 OK 10 68 - 15 - ~7101=3, ~7208=2...(8) HG3 LYS 94 - HB2 GLU 28 lone 3 87 - 4 - Peak 4996 from cnoeabs.peaks (1.27, 2.08, 28.54 ppm; 5.21 A): 5 out of 6 assignments used, quality = 0.73: QG2 THR 26 + HB2 GLU 28 OK 43 99 - 44 - 4918/3.7=27, 4919/4.4=21 HG12 ILE 16 + HB2 GLU 28 OK 23 89 - 26 - 4987/3.7=10, 4.6/1614=4...(7) HG13 ILE 39 + HB2 GLU 28 OK 17 95 - 18 - 5022/4.4=4, 4987/3.7=3...(7) QB ALA 98 + HB2 GLU 28 OK 14 99 - 14 - 6985/3.7=6, 5022/4.4=4 HG3 LYS 86 + HB2 GLU 28 OK 13 76 - 16 - 5022/4.4=4, 4987/3.7=3...(6) HG3 LYS 35 - HB2 GLU 28 lone 6 99 - 6 - 5022/4.4=1, 4987/3.7=1 Peak 4997 from cnoeabs.peaks (0.94, 2.08, 28.54 ppm; 5.10 A): 2 out of 4 assignments used, quality = 0.99: QD1 ILE 27 + HB2 GLU 28 OK 91 100 - 91 - 93/3.7=20, 4983/1.8=18...(20) QG2 ILE 27 + HB2 GLU 28 OK 86 92 - 94 - 4.3/688=34, 4972/3.0=26...(20) QB ALA 66 - HB2 GLU 28 OK 15 89 - 17 - 93/3.7=4, 5023/4.4=3...(7) QD1 ILE 39 - HB2 GLU 28 OK 13 57 - 21 - 2.1/4996=6, 4992/3.0=3...(7) Peak 4998 from cnoeabs.peaks (1.46, 1.98, 28.54 ppm; 4.71 A): 3 out of 20 assignments used, quality = 0.93: QB ALA 31 + HB3 GLU 28 OK 82 100 - 83 - 4414/3.0=27, 5079/3.7=19...(15) HB ILE 51 + HB3 GLU 28 OK 44 100 - 44 - 4413/3.0=8, ~5724=6...(13) HG2 LYS 44 + HB3 GLU 28 OK 33 95 - 35 - 4413/3.0=6, 5001/3.0=6...(9) QG2 THR 67 - HB3 GLU 28 OK 24 99 - 24 - 6057/3.7=6, 4413/3.0=4...(7) HB2 LYS 41 - HB3 GLU 28 OK 22 97 - 23 - 5466/3.0=5, 4413/3.0=3...(8) HG13 ILE 51 - HB3 GLU 28 OK 21 68 - 31 - ~5724=8, 2.1/5742=6...(9) HG12 ILE 80 - HB3 GLU 28 OK 19 99 - 19 - 4413/3.0=3, 4995/1.8=3...(8) HB2 LYS 41 - HG3 PRO 74 OK 11 76 - 14 - 5475/3.8=3, ~7081=2...(6) HG2 LYS 63 - HB3 GLU 28 OK 10 68 - 15 - 2.9/7101=4, 2.9/7208=3...(7) HG3 LYS 63 - HB3 GLU 28 OK 10 68 - 15 - 2.9/7101=4, 2.9/7208=3...(7) QG2 THR 67 - HG3 PRO 74 lone 7 78 - 9 - 6066/4791=3, 6069/4703=1 QB ALA 31 - HG3 PRO 74 lone 7 80 - 8 - 3.5/5114=1, 2.9/5084=1, ~6339=1 HB ILE 51 - HG3 PRO 74 lone 5 81 - 6 - HG3 LYS 63 - HG3 PRO 74 lone 4 48 - 8 - 2.9/7101=2, 2.9/7208=2 HG2 LYS 63 - HG3 PRO 74 lone 4 48 - 8 - 2.9/7101=2, 2.9/7208=2 HG12 ILE 80 - HG3 PRO 74 lone 4 78 - 5 - ~6525=1 HG3 LYS 94 - HB3 GLU 28 lone 3 87 - 4 - HG3 LYS 94 - HG3 PRO 74 lone 2 64 - 4 - HG13 ILE 51 - HG3 PRO 74 lone 2 48 - 4 - HG2 LYS 44 - HG3 PRO 74 lone 1 72 - 2 - Peak 4999 from cnoeabs.peaks (0.93, 1.98, 28.54 ppm; 5.18 A): 2 out of 8 assignments used, quality = 0.99: QG2 ILE 27 + HB3 GLU 28 OK 95 99 - 96 - 4972/3.0=29, 4.3/689=29...(22) QD1 ILE 27 + HB3 GLU 28 OK 87 93 - 94 - 93/3.7=19, ~4972=18...(23) QD1 ILE 39 - HB3 GLU 28 OK 18 81 - 22 - ~4996=4, 4992/3.0=4...(8) QD1 ILE 39 - HG3 PRO 74 OK 18 58 - 30 - 5359/2.3=6, ~5357=6...(7) QB ALA 66 - HB3 GLU 28 OK 13 68 - 19 - 93/3.7=4, 4997/1.8=3...(7) QG2 ILE 27 - HG3 PRO 74 OK 11 79 - 13 - 4945/2.3=3, ~4985=2...(5) QD1 ILE 27 - HG3 PRO 74 poor 10 71 - 13 - 4985/2.3=3, 4983=2...(5) QB ALA 66 - HG3 PRO 74 lone 2 48 - 5 - Peak 5000 from cnoeabs.peaks (1.87, 2.26, 36.84 ppm; 4.55 A): 5 out of 12 assignments used, quality = 0.94: HB ILE 27 + HG2 GLU 28 OK 80 100 - 81 - 4.4/690=22, ~4972=20...(11) HB3 LYS 44 + HG2 GLU 28 OK 34 99 - 34 - 5004/1.8=7, 2.9/5001=6...(10) HB2 LYS 44 + HG2 GLU 28 OK 34 98 - 34 - 5004/1.8=7, 2.9/5001=6...(10) HB ILE 16 + HG2 GLU 28 OK 17 97 - 18 - 4994/3.7=4, 89/5.1=4...(5) HB2 LYS 63 + HG2 GLU 28 OK 12 96 - 13 - 7101/3.0=3, 5004/1.8=3...(4) HB ILE 37 - HG2 GLU 28 lone 3 93 - 3 - HB2 GLU 87 - HG2 GLU 28 lone 3 92 - 3 - HD3 LYS 77 - HG2 GLU 28 lone 3 100 - 3 - HB2 PRO 92 - HG2 GLU 28 lone 2 100 - 2 - HB2 ARG 57 - HG2 GLU 28 lone 2 71 - 3 - HB3 ARG 57 - HG2 GLU 28 lone 2 71 - 3 - HB2 LEU 62 - HG2 GLU 28 lone 2 76 - 3 - Peak 5001 from cnoeabs.peaks (1.47, 2.26, 36.84 ppm; 4.50 A): 6 out of 8 assignments used, quality = 0.89: QB ALA 31 + HG2 GLU 28 OK 57 98 - 59 - 4414/3.7=22, 5079/5.1=12...(11) HG2 LYS 44 + HG2 GLU 28 OK 35 100 - 36 - 5005/1.8=7, 2.9/5000=5...(9) HB ILE 51 + HG2 GLU 28 OK 32 92 - 35 - 4413/3.7=6, 5005/1.8=6...(13) HB2 LYS 41 + HG2 GLU 28 OK 24 100 - 24 - 5466=5, 5005/1.8=4...(8) QG2 THR 67 + HG2 GLU 28 OK 15 83 - 18 - 6057/5.1=3, 4413/3.7=3...(5) HG12 ILE 80 + HG2 GLU 28 OK 12 83 - 14 - 4413/3.7=3, 5005/1.8=2...(6) HG2 LYS 86 - HG2 GLU 28 lone 7 76 - 9 - ~4996=2, 4988/5.1=2, 3.9/3625=1 HG LEU 53 - HG2 GLU 28 lone 5 65 - 8 - 4988/5.1=2, 5814/5003=1...(4) Peak 5003 from cnoeabs.peaks (0.94, 2.26, 36.84 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.93: QG2 ILE 27 + HG2 GLU 28 OK 76 97 - 78 - 4972/1.8=23, 4.3/690=20...(15) QD1 ILE 27 + HG2 GLU 28 OK 71 98 - 73 - ~4972=15, 5006/1.8=12...(15) QD1 ILE 39 - HG2 GLU 28 poor 9 68 - 13 - ~4996=2, 4992/3.7=2...(6) QB ALA 66 - HG2 GLU 28 poor 9 81 - 11 - 93/5.1=2, 4997/3.0=2...(5) Peak 5004 from cnoeabs.peaks (1.87, 2.47, 36.84 ppm; 4.60 A): 5 out of 12 assignments used, quality = 0.93: HB ILE 27 + HG3 GLU 28 OK 78 100 - 79 - 2.1/4972=25, 4.4/691=25...(10) HB3 LYS 44 + HG3 GLU 28 OK 34 99 - 35 - 5000/1.8=7, 2.9/5005=6...(10) HB2 LYS 44 + HG3 GLU 28 OK 34 98 - 35 - 5000/1.8=7, 2.9/5005=6...(10) HB ILE 16 + HG3 GLU 28 OK 17 97 - 18 - 4.0/1632=4, 4994/3.7=4...(5) HB2 LYS 63 + HG3 GLU 28 OK 13 96 - 13 - 7101/3.0=3, 5000/1.8=3...(4) HB ILE 37 - HG3 GLU 28 lone 3 93 - 3 - HB2 GLU 87 - HG3 GLU 28 lone 3 92 - 3 - HD3 LYS 77 - HG3 GLU 28 lone 3 100 - 3 - HB2 PRO 92 - HG3 GLU 28 lone 2 100 - 2 - HB2 LEU 62 - HG3 GLU 28 lone 2 76 - 2 - HB2 ARG 57 - HG3 GLU 28 lone 2 71 - 2 - HB3 ARG 57 - HG3 GLU 28 lone 2 71 - 2 - Peak 5005 from cnoeabs.peaks (1.47, 2.47, 36.84 ppm; 4.88 A): 6 out of 8 assignments used, quality = 0.92: QB ALA 31 + HG3 GLU 28 OK 63 98 - 64 - 4414/3.7=24, 5079/5.1=15...(11) HG2 LYS 44 + HG3 GLU 28 OK 40 100 - 40 - 5001/1.8=8, 2.9/5004=6...(10) HB ILE 51 + HG3 GLU 28 OK 35 92 - 38 - 5001/1.8=7, 4413/3.7=7...(12) HB2 LYS 41 + HG3 GLU 28 OK 22 100 - 22 - 5466/1.8=6, 4413/3.7=3...(8) QG2 THR 67 + HG3 GLU 28 OK 16 83 - 20 - 6057/5.1=4, 5001/1.8=3...(6) HG12 ILE 80 + HG3 GLU 28 OK 14 83 - 16 - 4413/3.7=3, 5001/1.8=3...(7) HG LEU 53 - HG3 GLU 28 lone 6 65 - 10 - 5814/4972=2, 4988/5.1=2...(6) HG2 LYS 86 - HG3 GLU 28 lone 6 76 - 7 - ~4996=2, 4988/5.1=2, 5001/1.8=2 Peak 5006 from cnoeabs.peaks (0.93, 2.47, 36.84 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.98: QG2 ILE 27 + HG3 GLU 28 OK 90 99 - 91 - 4972=36, 4.3/691=28...(15) QD1 ILE 27 + HG3 GLU 28 OK 78 93 - 84 - 2.8/4972=26, 5003/1.8=20...(14) QD1 ILE 39 - HG3 GLU 28 OK 14 81 - 16 - ~4996=3, 4992/3.7=3...(7) QB ALA 66 - HG3 GLU 28 poor 10 68 - 14 - 93/5.1=3, 5003/1.8=2...(6) Peak 5017 from cnoeabs.peaks (7.31, 4.01, 62.58 ppm; 4.36 A): 2 out of 6 assignments used, quality = 0.80: H THR 26 + HB2 SER 29 OK 78 99 - 79 - 4920=38, 5019/1.8=27...(8) H GLY 38 + HB2 SER 29 OK 10 63 - 16 - 5019/1.8=6, 5011/4.0=3...(4) QD PHE 97 - HB2 SER 29 poor 10 73 - 13 - 5019/1.8=5, 5055/4.6=3 H THR 26 - HB3 SER 89 poor 9 74 - 12 - 4920=5, 4.0/4922=2...(5) QD PHE 97 - HB3 SER 89 lone 3 49 - 5 - 4759/3.0=1, ~6725=1 H GLY 38 - HB3 SER 89 lone 1 41 - 3 - Peak 5018 from cnoeabs.peaks (6.99, 4.08, 62.58 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.60: HZ PHE 88 + HB3 SER 29 OK 55 99 - 55 - 4848=21, 4849/1.8=20...(7) QE PHE 83 + HB3 SER 29 OK 12 100 - 12 - 7070/1.8=3, 5054/4.6=2...(4) QE PHE 70 - HB3 SER 29 lone 8 87 - 9 - 7070/1.8=3, 5054/4.6=2 HE22 GLN 48 - HB3 SER 29 lone 5 99 - 5 - 7070/1.8=2 HE22 GLN 19 - HB3 SER 29 lone 3 76 - 4 - 1.7/4106=1, ~4105=1, 7070/1.8=1 HD21 ASN 52 - HB3 SER 29 lone 3 100 - 2 - HD21 ASN 24 - HB3 SER 29 lone 2 98 - 2 - QE PHE 17 - HB3 SER 29 lone 0 63 - 1 - Peak 5019 from cnoeabs.peaks (7.31, 4.08, 62.58 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.68: H THR 26 + HB3 SER 29 OK 59 96 - 62 - 4920/1.8=31, 5011/4.0=20...(7) H GLY 38 + HB3 SER 29 OK 12 76 - 15 - 5017/1.8=4, 5011/4.0=3...(5) QD PHE 97 + HB3 SER 29 OK 10 85 - 12 - 5017/1.8=3, 5055/4.6=3 HZ2 TRP 82 - HB3 SER 29 lone 2 71 - 3 - 5055/4.6=1 Peak 5025 from cnoeabs.peaks (2.26, 4.38, 61.01 ppm; 4.24 A): 5 out of 10 assignments used, quality = 0.92: HG2 GLU 28 + HA SER 29 OK 72 100 - 72 - 98/2.9=23, ~99=18...(11) HG2 MET 50 + HA THR 42 OK 60 87 - 69 - 5525/3.6=17, 1.8/7092=16...(17) HB3 LYS 86 + HA SER 29 OK 12 85 - 14 - 98/2.9=4, ~96=3, 7091=2...(6) HG2 MET 50 + HA SER 29 OK 12 97 - 12 - 98/2.9=3, 1.8/7092=2...(4) HG2 GLU 28 + HA THR 42 OK 11 92 - 12 - 5525/3.6=8, 5495/3.2=2 HB3 LYS 86 - HA THR 42 poor 9 73 - 12 - 7091=2, 5525/3.6=2...(4) HG3 GLU 23 - HA SER 29 lone 5 96 - 5 - 98/2.9=2 HG3 GLU 23 - HA THR 42 lone 4 84 - 4 - HG2 GLU 58 - HA SER 29 lone 1 65 - 1 - HG2 GLU 58 - HA THR 42 lone 1 55 - 1 - Peak 5026 from cnoeabs.peaks (2.00, 4.38, 61.01 ppm; 5.02 A): 3 out of 20 assignments used, quality = 0.92: HB3 GLU 28 + HA SER 29 OK 73 83 - 89 - ~96=27, ~4100=23...(15) HG2 PRO 49 + HA THR 42 OK 54 91 - 60 - 3.8/5631=26, ~5497=21...(8) HB VAL 25 + HA SER 29 OK 37 100 - 37 - 5028/3.0=9, ~7067=9...(8) HG2 PRO 49 - HA SER 29 OK 15 100 - 15 - 3.8/5631=4, 97/2.9=2...(5) HB3 GLU 28 - HA THR 42 OK 14 71 - 20 - ~5498=5, 1620/3.6=4...(6) HG2 GLN 19 - HA SER 29 OK 14 76 - 18 - 4066/2.9=4, ~4067=4...(6) HB2 LYS 77 - HA SER 29 OK 12 83 - 14 - 5028/3.0=3, 1.8/4456=2...(7) HB2 GLU 23 - HA SER 29 lone 8 99 - 8 - ~98=2, ~96=1, 3.0/5025=1 HB2 GLU 23 - HA THR 42 lone 7 89 - 7 - HB2 GLU 65 - HA SER 29 lone 5 81 - 7 - ~6016=2, 97/2.9=1 HB3 GLN 36 - HA SER 29 lone 5 89 - 6 - 4.0/4422=2 HG3 PRO 74 - HA THR 42 lone 5 82 - 6 - ~5504=2, 1620/3.6=1 HG3 PRO 74 - HA SER 29 lone 5 93 - 5 - 4101/2.9=1 HB3 GLN 36 - HA THR 42 lone 4 77 - 5 - 4.0/4422=1 HB VAL 25 - HA THR 42 lone 3 91 - 4 - HB2 LYS 77 - HA THR 42 lone 3 71 - 4 - HG2 PRO 92 - HA THR 42 lone 3 52 - 6 - 4374/3.0=1, ~4375=1 HB2 GLU 65 - HA THR 42 lone 3 69 - 4 - HG2 GLN 19 - HA THR 42 lone 2 64 - 4 - HG2 PRO 92 - HA SER 29 lone 1 63 - 2 - Peak 5028 from cnoeabs.peaks (1.99, 4.01, 62.58 ppm; 5.13 A): 6 out of 18 assignments used, quality = 0.83: HB VAL 25 + HB2 SER 29 OK 48 100 - 48 - 4.4/4920=25, 2.1/7067=11...(6) HB3 GLU 28 + HB2 SER 29 OK 45 93 - 48 - 4.4/1642=28, 5026/3.0=9...(6) HB2 LYS 77 + HB2 SER 29 OK 15 93 - 15 - 3.7/1176=3, 4.7/1182=2...(6) HB VAL 25 + HB3 SER 89 OK 12 77 - 16 - ~6726=8, 4.4/4920=3, 2.1/5031=2 HG2 PRO 49 + HB2 SER 29 OK 11 97 - 12 - 97/4.0=2, 5026/3.0=2 HG2 GLN 19 + HB2 SER 29 OK 11 89 - 12 - 4066/4.0=5, 3.5/4105=2...(4) HB2 GLU 23 - HB2 SER 29 lone 5 95 - 6 - 5026/3.0=1 HG3 PRO 74 - HB2 SER 29 lone 5 99 - 5 - 4101/4.0=1 HB2 GLU 65 - HB2 SER 29 lone 4 92 - 4 - 97/4.0=1 HB2 LYS 77 - HB3 SER 89 lone 4 66 - 6 - HB3 GLN 36 - HB2 SER 29 lone 3 76 - 4 - HB3 GLU 28 - HB3 SER 89 lone 3 66 - 4 - 4.4/1642=1 HG2 PRO 49 - HB3 SER 89 lone 3 70 - 4 - HG3 PRO 74 - HB3 SER 89 lone 2 73 - 2 - HB2 GLU 23 - HB3 SER 89 lone 1 68 - 2 - HB2 GLU 65 - HB3 SER 89 lone 1 65 - 2 - HG2 GLN 19 - HB3 SER 89 lone 1 62 - 2 - HB3 GLN 36 - HB3 SER 89 lone 1 51 - 2 - Peak 5030 from cnoeabs.peaks (1.27, 4.01, 62.58 ppm; 5.26 A): 5 out of 12 assignments used, quality = 0.85: QG2 THR 26 + HB2 SER 29 OK 75 100 - 75 - 4922=40, 4.0/4920=28...(5) HG13 ILE 39 + HB2 SER 29 OK 14 85 - 16 - 5034/1.8=5, 5022/4.0=4...(6) QB ALA 98 + HB2 SER 29 OK 13 100 - 13 - 5034/1.8=4, 5022/4.0=4 HG12 ILE 16 + HB2 SER 29 OK 12 76 - 16 - 5034/1.8=4, 5022/4.0=4...(5) HG3 LYS 86 + HB2 SER 29 OK 12 89 - 13 - 5022/4.0=4, 5034/1.8=4...(4) QG2 THR 26 - HB3 SER 89 lone 8 77 - 10 - 4922=4, 4.0/4920=3 HG3 LYS 35 - HB2 SER 29 lone 7 100 - 7 - 5034/1.8=2, 5022/4.0=2 HG12 ILE 16 - HB3 SER 89 lone 3 51 - 6 - ~6726=2 QB ALA 98 - HB3 SER 89 lone 2 77 - 3 - HG3 LYS 35 - HB3 SER 89 lone 2 77 - 2 - HG13 ILE 39 - HB3 SER 89 lone 1 58 - 2 - HG3 LYS 86 - HB3 SER 89 lone 1 62 - 2 - Peak 5031 from cnoeabs.peaks (0.83, 4.01, 62.58 ppm; 4.20 A): 8 out of 16 assignments used, quality = 0.90: QG2 VAL 25 + HB2 SER 29 OK 41 97 - 42 - 4.3/4920=18, 7067=8...(10) QG1 VAL 30 + HB2 SER 29 OK 39 95 - 41 - 3.9/102=15, 5035/1.8=8...(9) QG2 VAL 30 + HB2 SER 29 OK 39 85 - 46 - 3.9/102=15, 5035/1.8=9...(10) QG2 ILE 40 + HB2 SER 29 OK 22 96 - 23 - 5035/1.8=4, 5421/3.0=3...(9) QG2 ILE 16 + HB2 SER 29 OK 14 100 - 14 - 5035/1.8=3, 5288=2...(6) QG2 ILE 37 + HB2 SER 29 OK 12 81 - 15 - 5288=4, 5035/1.8=4...(6) QG2 VAL 25 + HB3 SER 89 OK 11 71 - 16 - ~6726=5, 6726/1.8=4...(5) QG2 ILE 80 + HB2 SER 29 OK 11 90 - 12 - 4324/4.6=3, 5035/1.8=2...(4) QG2 ILE 40 - HB3 SER 89 poor 9 69 - 12 - 6726/1.8=6, ~5433=2 QD2 LEU 62 - HB2 SER 29 lone 7 97 - 7 - 5035/1.8=2, 700/4.6=1 QG2 ILE 16 - HB3 SER 89 lone 4 76 - 6 - 6726/1.8=2 QG1 VAL 30 - HB3 SER 89 lone 4 68 - 6 - 3.9/102=1 QG2 VAL 30 - HB3 SER 89 lone 4 58 - 6 - 3.9/102=1, 5062/6733=1 QG2 ILE 80 - HB3 SER 89 lone 3 63 - 5 - QG2 ILE 37 - HB3 SER 89 lone 3 55 - 5 - QD2 LEU 62 - HB3 SER 89 lone 1 71 - 2 - Peak 5034 from cnoeabs.peaks (1.26, 4.08, 62.58 ppm; 5.33 A): 5 out of 6 assignments used, quality = 0.80: QG2 THR 26 + HB3 SER 29 OK 65 100 - 66 - 4922/1.8=38, 4.0/5019=25 HG13 ILE 39 + HB3 SER 29 OK 14 73 - 19 - 5022/4.0=4, 5030/1.8=4...(7) QB ALA 98 + HB3 SER 29 OK 13 100 - 13 - 5022/4.0=4, 5030/1.8=3 HG3 LYS 86 + HB3 SER 29 OK 12 96 - 13 - 5022/4.0=4, 5030/1.8=3...(4) HG12 ILE 16 + HB3 SER 29 OK 11 63 - 18 - 3.2/5035=4, 5022/4.0=4...(6) HG3 LYS 35 - HB3 SER 29 lone 7 100 - 7 - 5030/1.8=2, 5022/4.0=2 Peak 5035 from cnoeabs.peaks (0.84, 4.08, 62.58 ppm; 4.08 A): 7 out of 8 assignments used, quality = 0.86: QG2 VAL 30 + HB3 SER 29 OK 41 97 - 42 - 3.9/103=16, 5073/4.0=10...(9) QG1 VAL 30 + HB3 SER 29 OK 34 100 - 34 - 3.9/103=16, 5024/4.0=6...(8) QG2 VAL 25 + HB3 SER 29 OK 28 85 - 34 - 4.3/5019=15, 7067/1.8=8...(8) QG2 ILE 40 + HB3 SER 29 OK 20 81 - 24 - 5031/1.8=3, 2.1/5412=3...(10) QG2 ILE 37 + HB3 SER 29 OK 16 96 - 16 - 7203/7069=4, 5288/1.8=4...(6) QG2 ILE 16 + HB3 SER 29 OK 15 99 - 15 - 7203/7069=4, 5031/1.8=2...(7) QG2 ILE 80 + HB3 SER 29 OK 11 99 - 11 - 4324/4.6=4, 5031/1.8=2...(4) QD2 LEU 62 - HB3 SER 29 lone 7 100 - 7 - 700/4.6=1, 5031/1.8=1 Peak 5043 from cnoeabs.peaks (0.72, 2.19, 31.35 ppm; 3.62 A): 4 out of 6 assignments used, quality = 0.87: QG2 ILE 51 + HB VAL 30 OK 63 100 - 63 - 5732=15, 5051/2.1=13...(16) QG2 ILE 93 + HB VAL 30 OK 36 100 - 36 - 5051/2.1=8, 6833=7...(13) QD1 ILE 40 + HB VAL 30 OK 26 63 - 41 - 5082/4.4=8, 5051/2.1=8...(11) QG2 ILE 93 + HB3 PRO 92 OK 24 62 - 39 - 1026/4.1=10, 6833=7...(13) QG2 ILE 51 - HB3 PRO 92 poor 8 61 - 13 - 1026/4.1=3, 5732=2, 5733/1.8=1 QD1 ILE 40 - HB3 PRO 92 lone 3 32 - 10 - 5445=2, 2040/3.0=2...(4) Peak 5044 from cnoeabs.peaks (1.47, 2.19, 31.35 ppm; 4.32 A): 2 out of 16 assignments used, quality = 0.95: QB ALA 31 + HB VAL 30 OK 85 99 - 85 - 2.9/106=23, 2.1/5086=13...(22) HB ILE 51 + HB VAL 30 OK 65 96 - 68 - 2.1/5043=17, ~5051=11...(21) HG12 ILE 80 - HB VAL 30 OK 33 89 - 38 - ~5108=8, ~5111=6...(11) HB2 LYS 41 - HB VAL 30 OK 32 100 - 32 - 2056/4.4=5, ~7084=5...(10) QG2 THR 67 - HB VAL 30 OK 14 89 - 15 - 5050/2.1=2, 6110/5106=2...(7) HG2 LYS 86 - HB3 PRO 92 OK 10 35 - 30 - ~6664=7, 6663/2.3=6...(6) HG2 LYS 44 - HB VAL 30 lone 7 100 - 7 - 5036/4.0=2, 703/4.4=1 HB ILE 51 - HB3 PRO 92 lone 6 55 - 10 - 2.1/5043=2, ~5733=1, 5764/1.8=1 QB ALA 31 - HB3 PRO 92 lone 4 60 - 7 - 2.9/4108=1 HG12 ILE 80 - HB3 PRO 92 lone 4 49 - 7 - 6520/3.0=1, ~6528=1, ~6508=1 HB2 LYS 41 - HB3 PRO 92 lone 3 62 - 5 - HG2 LYS 86 - HB VAL 30 lone 3 68 - 4 - HG3 LYS 94 - HB VAL 30 lone 2 63 - 4 - HG2 LYS 44 - HB3 PRO 92 lone 1 61 - 2 - QG2 THR 67 - HB3 PRO 92 lone 1 49 - 2 - HG3 LYS 94 - HB3 PRO 92 lone 0 32 - 1 - Peak 5045 from cnoeabs.peaks (2.01, 0.85, 24.20 ppm; 4.15 A): 9 out of 16 assignments used, quality = 0.94: HG2 PRO 49 + QG2 VAL 30 OK 54 99 - 54 - 5643=8, 2.3/5636=6...(17) HB VAL 25 + QG2 VAL 30 OK 34 90 - 37 - 4.4/5065=12, ~4905=6...(9) HB3 MET 50 + QG2 VAL 30 OK 33 85 - 39 - 5679/3.2=6, ~5677=6...(12) HB VAL 25 + QD2 LEU 62 OK 24 43 - 55 - ~4902=17, 4898/2.1=12...(14) HB2 GLU 23 + QD2 LEU 62 OK 23 53 - 44 - ~4862=13, ~4861=7...(9) HB3 GLN 36 + QG2 VAL 30 OK 17 99 - 17 - 3.0/5049=3, 4.0/5245=3...(6) QE MET 50 + QG2 VAL 30 OK 16 76 - 21 - 5691/3.2=5, 3.3/5670=4...(7) HB3 GLN 36 + QD2 LEU 62 OK 14 52 - 27 - 3.0/5248=4, ~4862=3...(11) HG2 PRO 49 + QD2 LEU 62 OK 12 52 - 22 - ~5621=4, 5643=4...(7) HB2 GLU 23 - QG2 VAL 30 lone 9 100 - 8 - ~4855=1 HG3 PRO 74 - QG2 VAL 30 lone 4 71 - 5 - HB3 MET 50 - QD2 LEU 62 lone 3 39 - 9 - 4.0/5657=2, 2.9/5670=2...(4) QE MET 50 - QD2 LEU 62 lone 2 34 - 6 - 3.3/5670=1 HG2 PRO 92 - QG2 VAL 30 lone 2 89 - 2 - HG2 PRO 92 - QD2 LEU 62 lone 1 42 - 2 - HG3 PRO 74 - QD2 LEU 62 lone 1 31 - 2 - Peak 5046 from cnoeabs.peaks (3.52, 0.85, 24.20 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.76: HA ILE 27 + QG2 VAL 30 OK 73 100 - 74 - 4409/2.1=27, 1143/3.9=20...(13) HB2 ASN 14 + QG2 VAL 30 OK 10 65 - 15 - 4409/2.1=4, 1143/3.9=3...(4) HA ILE 27 - QD2 LEU 62 poor 8 52 - 16 - 4959/5052=5, 5810/5825=4, 4957=3 HB2 ASN 14 - QD2 LEU 62 lone 1 28 - 3 - Peak 5047 from cnoeabs.peaks (3.50, 0.84, 22.51 ppm; 4.96 A): 5 out of 8 assignments used, quality = 0.92: HA ILE 27 + QG1 VAL 30 OK 76 95 - 81 - 4409/2.1=30, 1143/3.9=28...(13) HB3 PHE 83 + QG1 VAL 30 OK 38 89 - 43 - 2.4/5071=9, ~4424=5...(14) HB2 ASN 14 + QG1 VAL 30 OK 22 98 - 21 - 4409/2.1=4, 5046/2.1=4...(5) HB3 PHE 83 + QG2 VAL 25 OK 17 50 - 34 - ~6614=8, 6616/2.1=8...(8) HA ILE 27 + QG2 VAL 25 OK 13 56 - 23 - ~4955=8, 4959/5112=4...(7) HD3 PRO 74 - QG1 VAL 30 lone 3 60 - 5 - HB2 ASN 14 - QG2 VAL 25 lone 3 60 - 4 - HD3 PRO 74 - QG2 VAL 25 lone 1 31 - 4 - Peak 5048 from cnoeabs.peaks (1.46, 0.84, 22.51 ppm; 4.99 A): 4 out of 20 assignments used, quality = 1.00: QB ALA 31 + QG1 VAL 30 OK 94 99 - 95 - 1673/4.2=26, ~106=17...(32) HB ILE 51 + QG1 VAL 30 OK 78 100 - 78 - ~5043=14, ~5051=14...(21) HG13 ILE 51 + QG1 VAL 30 OK 52 78 - 67 - ~5043=11, ~5051=11...(16) HG12 ILE 80 + QG1 VAL 30 OK 52 100 - 52 - 2.1/5111=11, ~5108=10...(12) HB2 LYS 41 - QG1 VAL 30 OK 40 93 - 43 - ~7084=6, 2056/4.2=6...(12) QG2 THR 67 - QG1 VAL 30 OK 34 100 - 34 - 4.1/6113=4, 3.2/6098=3...(13) QB ALA 31 - QG2 VAL 25 OK 18 60 - 30 - 5096/2.1=3, 5102/5110=3...(11) HB ILE 51 - QG2 VAL 25 OK 15 63 - 23 - ~4902=6, ~4898=4...(6) HG12 ILE 80 - QG2 VAL 25 OK 11 63 - 17 - ~4912=5, 2.1/5111=3, ~4909=3 QG2 THR 67 - QG2 VAL 25 OK 10 63 - 16 - 6068/3.9=6, 6110/4822=2 HG13 ILE 51 - QG2 VAL 25 poor 9 43 - 22 - ~4902=7, ~4898=5...(4) HG2 LYS 44 - QG1 VAL 30 lone 9 89 - 10 - 5036/3.9=2, 703/4.2=2 HG3 LYS 94 - QG1 VAL 30 lone 9 93 - 9 - 4.9/6903=2 HG2 LYS 63 - QG2 VAL 25 poor 8 43 - 18 - ~4900=4, 4.9/286=4...(5) HG3 LYS 63 - QG2 VAL 25 poor 8 43 - 18 - ~4900=4, 4.9/286=4...(5) HG2 LYS 63 - QG1 VAL 30 lone 7 78 - 9 - 4.9/286=3 HG3 LYS 63 - QG1 VAL 30 lone 7 78 - 9 - 4.9/286=3 HB2 LYS 41 - QG2 VAL 25 lone 5 54 - 9 - 1.8/5462=1 HG3 LYS 94 - QG2 VAL 25 lone 4 54 - 8 - ~4899=3, ~4900=2 HG2 LYS 44 - QG2 VAL 25 lone 1 50 - 2 - Peak 5049 from cnoeabs.peaks (4.13, 0.85, 24.20 ppm; 4.56 A): 8 out of 18 assignments used, quality = 0.87: HA VAL 25 + QG2 VAL 30 OK 32 93 - 35 - 3.6/5065=17, ~4905=5...(8) HA VAL 25 + QD2 LEU 62 OK 32 45 - 70 - ~4893=18, ~5963=18...(16) HA GLN 36 + QG2 VAL 30 OK 29 99 - 29 - 5248=5, 2.9/5245=5...(10) HA GLU 23 + QD2 LEU 62 OK 21 37 - 59 - 4862/2.1=22, 4860/3.1=14...(7) HA ALA 78 + QG2 VAL 30 OK 21 81 - 26 - 2.1/6455=4, 6451=4...(8) HA GLN 36 + QD2 LEU 62 OK 20 51 - 38 - 5248=8, 5954/2.1=6...(10) HB2 SER 96 + QG2 VAL 30 OK 11 65 - 17 - 1.8/6951=3, 4.1/6943=2...(8) HA3 GLY 22 + QD2 LEU 62 OK 10 28 - 37 - 5954/2.1=6, 5952/3.1=6...(11) HB THR 15 - QG2 VAL 30 lone 9 100 - 9 - ~4564=2, 3.0/4564=2, 4.4/620=2 HA3 GLY 22 - QG2 VAL 30 poor 8 65 - 12 - 3.0/1660=2, ~4826=1...(5) HA GLU 23 - QG2 VAL 30 lone 7 81 - 9 - 4855/3.2=2, 3.0/5045=1 HB THR 15 - QD2 LEU 62 lone 5 52 - 9 - 3.0/4564=2, 5954/2.1=1...(5) HB2 SER 96 - QD2 LEU 62 poor 5 28 - 17 - 1.8/6951=2, 5954/2.1=2...(9) HA ALA 78 - QD2 LEU 62 poor 5 37 - 13 - 2.1/6455=3, 6451=2...(5) HA3 GLY 90 - QD2 LEU 62 lone 3 31 - 9 - ~6741=2, 6744/2.1=2...(4) HA THR 99 - QG2 VAL 30 lone 2 100 - 2 - HA THR 99 - QD2 LEU 62 lone 2 53 - 4 - HA3 GLY 90 - QG2 VAL 30 lone 1 71 - 2 - Peak 5050 from cnoeabs.peaks (1.46, 0.85, 24.20 ppm; 4.84 A): 3 out of 20 assignments used, quality = 0.99: QB ALA 31 + QG2 VAL 30 OK 95 100 - 95 - 1673/4.2=25, 5.0/1661=19...(33) HB ILE 51 + QG2 VAL 30 OK 76 100 - 77 - 2.1/5051=18, ~5043=13...(22) HG12 ILE 80 + QG2 VAL 30 OK 52 99 - 53 - 2.1/5108=14, ~5111=8...(12) HB2 LYS 41 - QG2 VAL 30 OK 42 98 - 43 - 2056/4.2=6, ~7084=6...(10) HG13 ILE 51 - QG2 VAL 30 OK 42 65 - 64 - 3.2/5051=16, ~5043=10...(17) QG2 THR 67 - QG2 VAL 30 OK 33 99 - 34 - 4.0/6100=4, 4.1/6113=3...(11) HB ILE 51 - QD2 LEU 62 OK 18 53 - 34 - 4.4/7218=7, ~2504=6...(8) QB ALA 31 - QD2 LEU 62 OK 11 53 - 21 - 2.9/4109=2, 2.1/7072=1...(5) QG2 THR 67 - QD2 LEU 62 OK 11 51 - 21 - 6079/4.0=3, 4.1/6113=2...(7) HG2 LYS 44 - QG2 VAL 30 OK 10 96 - 10 - 5036/3.9=2, 703/4.2=2 HG12 ILE 80 - QD2 LEU 62 poor 9 51 - 18 - 6503/2.1=3, 2.1/5108=3...(5) HG3 LYS 94 - QG2 VAL 30 lone 8 85 - 10 - 4.9/6903=2, 4.9/6855=2 HG3 LYS 63 - QD2 LEU 62 poor 8 28 - 27 - 4.9/286=14, ~5957=2...(6) HG2 LYS 63 - QD2 LEU 62 poor 8 28 - 27 - 4.9/286=14, ~5957=2...(6) HG13 ILE 51 - QD2 LEU 62 poor 7 28 - 25 - ~2504=5, 3.2/5051=4...(7) HG3 LYS 94 - QD2 LEU 62 poor 7 39 - 18 - 4.9/6903=3, 3887/3.1=2...(7) HG3 LYS 63 - QG2 VAL 30 lone 6 65 - 9 - 4.9/286=3 HG2 LYS 63 - QG2 VAL 30 lone 6 65 - 9 - 4.9/286=3 HB2 LYS 41 - QD2 LEU 62 lone 4 50 - 9 - HG2 LYS 44 - QD2 LEU 62 lone 2 47 - 4 - Peak 5051 from cnoeabs.peaks (0.73, 0.85, 24.20 ppm; 3.47 A): 4 out of 6 assignments used, quality = 0.86: QG2 ILE 51 + QG2 VAL 30 OK 58 96 - 61 - 5043/2.1=12, 5751/5052=8...(22) QG2 ILE 93 + QG2 VAL 30 OK 38 98 - 39 - 5043/2.1=7, 6848/5108=5...(13) QD1 ILE 40 + QG2 VAL 30 OK 38 85 - 45 - 5082/4.2=9, 5037/3.9=6...(16) QG2 ILE 51 + QD2 LEU 62 OK 13 47 - 27 - 2504/2.1=6, 5751/5052=5...(7) QD1 ILE 40 - QD2 LEU 62 poor 5 39 - 13 - 7099/2.1=2, 2042=1 QG2 ILE 93 - QD2 LEU 62 lone 4 50 - 8 - Peak 5052 from cnoeabs.peaks (0.61, 0.85, 24.20 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.75: QD2 LEU 53 + QG2 VAL 30 OK 61 100 - 61 - 5038/3.9=12, 5112/2.1=11...(17) QD2 LEU 53 + QD2 LEU 62 OK 37 53 - 70 - 5962/2.1=23, ~7099=14...(16) Peak 5056 from cnoeabs.peaks (5.84, 3.75, 66.89 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.95: QD TYR 33 + HA VAL 30 OK 95 100 - 95 - 2.5/4427=40, 2.5/4425=29...(25) Peak 5057 from cnoeabs.peaks (6.22, 3.75, 66.89 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 33 + HA VAL 30 OK 86 100 - 86 - 2.2/5056=38, 4.4/4427=28...(18) QD PHE 88 + HA VAL 30 OK 77 100 - 77 - 2.2/4743=26, 3.8/4850=23...(21) Peak 5058 from cnoeabs.peaks (6.87, 3.75, 66.89 ppm; 4.73 A): 3 out of 4 assignments used, quality = 0.92: QE PHE 34 + HA VAL 30 OK 82 96 - 86 - 2.2/5060=30, 5068/3.2=17...(23) HZ PHE 34 + HA VAL 30 OK 51 76 - 67 - 3.8/5060=22, 5068/3.2=12...(14) H VAL 25 + HA VAL 30 OK 15 71 - 21 - 3.9/4905=10, ~5049=2...(6) QE TYR 54 - HA VAL 30 poor 9 85 - 11 - 5063/3.2=2, ~4702=1...(4) Peak 5059 from cnoeabs.peaks (6.96, 3.75, 66.89 ppm; 3.45 A): 5 out of 7 assignments used, quality = 0.92: QE PHE 88 + HA VAL 30 OK 62 93 - 67 - 4743=19, 2.2/4850=18...(23) HZ PHE 88 + HA VAL 30 OK 49 89 - 56 - 4850=19, 2.2/4743=16...(12) QE PHE 70 + HA VAL 30 OK 26 100 - 26 - 4743=5, 5064/3.2=3...(10) HZ PHE 83 + HA VAL 30 OK 25 92 - 27 - 3.8/4424=4, 5064/3.2=3...(14) QE PHE 83 + HA VAL 30 OK 22 81 - 27 - 2.2/4424=5, 5054/3.0=3...(13) HE22 GLN 48 - HA VAL 30 lone 4 90 - 4 - HD21 ASN 52 - HA VAL 30 lone 2 76 - 3 - Peak 5060 from cnoeabs.peaks (7.43, 3.75, 66.89 ppm; 4.26 A): 3 out of 3 assignments used, quality = 0.92: QD PHE 34 + HA VAL 30 OK 89 100 - 89 - 4680=34, 5070/3.2=20...(26) H ALA 76 + HA VAL 30 OK 19 93 - 21 - 5066/3.2=6, 5070/3.2=6...(6) H THR 46 + HA VAL 30 OK 17 99 - 17 - 4.6/4423=3, 5070/3.2=3...(7) Peak 5062 from cnoeabs.peaks (6.21, 0.85, 24.20 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.96: QE TYR 33 + QG2 VAL 30 OK 81 97 - 83 - ~5056=26, 5057/3.2=19...(18) QD PHE 88 + QG2 VAL 30 OK 78 99 - 79 - 5057/3.2=17, ~4743=17...(23) QE TYR 33 - QD2 LEU 62 poor 7 49 - 14 - 2.2/4654=2, 4.4/5170=2...(4) QD PHE 88 - QD2 LEU 62 poor 6 52 - 12 - Peak 5063 from cnoeabs.peaks (6.87, 0.85, 24.20 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.95: QE PHE 34 + QG2 VAL 30 OK 87 99 - 88 - 5068/2.1=21, ~5070=18...(28) HZ PHE 34 + QG2 VAL 30 OK 62 87 - 72 - 5068/2.1=15, ~5068=14...(20) QE PHE 34 - QD2 LEU 62 OK 11 51 - 22 - 2.2/5066=3, 5208/2.1=3...(8) QE TYR 54 - QG2 VAL 30 poor 10 73 - 13 - 5786/5052=2, 5058/3.2=2...(4) HZ PHE 34 - QD2 LEU 62 poor 6 40 - 16 - 3.8/5066=2, ~5208=2...(5) QE TYR 54 - QD2 LEU 62 poor 4 32 - 12 - 5963/2.1=3, ~4706=2...(5) Peak 5064 from cnoeabs.peaks (6.96, 0.85, 24.20 ppm; 3.73 A): 5 out of 14 assignments used, quality = 0.93: QE PHE 88 + QG2 VAL 30 OK 61 98 - 63 - 4743/3.2=14, ~4850=9...(21) HZ PHE 88 + QG2 VAL 30 OK 43 78 - 55 - 4850/3.2=12, ~4743=8...(16) QE PHE 70 + QG2 VAL 30 OK 33 97 - 35 - 5059/3.2=4, 2.2/4777=4...(12) HZ PHE 83 + QG2 VAL 30 OK 32 97 - 33 - 4836=5, 4836/2.1=4...(12) QE PHE 83 + QG2 VAL 30 OK 25 68 - 36 - 2.2/4836=4, ~5071=3...(12) QE PHE 70 - QD2 LEU 62 poor 6 49 - 11 - ~5963=2, 2.2/4777=1 HE22 GLN 48 - QG2 VAL 30 lone 5 81 - 6 - HD21 ASN 52 - QG2 VAL 30 lone 4 63 - 6 - 5.5/7218=2 QE PHE 88 - QD2 LEU 62 lone 4 50 - 7 - HZ PHE 83 - QD2 LEU 62 lone 3 49 - 7 - 4836=1 QE PHE 83 - QD2 LEU 62 lone 2 30 - 7 - 2.2/4738=1 HZ PHE 88 - QD2 LEU 62 lone 2 35 - 6 - HD21 ASN 52 - QD2 LEU 62 lone 1 27 - 5 - 5.5/7218=3, 4.3/5961=1 HE22 GLN 48 - QD2 LEU 62 lone 1 37 - 2 - Peak 5065 from cnoeabs.peaks (7.31, 0.85, 24.20 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.51: H THR 26 + QG2 VAL 30 OK 43 100 - 43 - 5055/3.9=17, 4089/2.1=8...(10) QD PHE 97 + QG2 VAL 30 OK 14 68 - 20 - 5055/3.9=4, 4764/2.1=3...(8) H THR 26 - QD2 LEU 62 poor 9 52 - 18 - 5784/5052=4, 3.6/5049=4...(5) H GLY 38 - QG2 VAL 30 poor 8 57 - 15 - 5055/3.9=3, 4.6/745=2...(4) QD PHE 97 - QD2 LEU 62 lone 2 30 - 5 - 4.5/6966=1 H GLY 38 - QD2 LEU 62 lone 1 24 - 5 - 4.6/745=2 Peak 5066 from cnoeabs.peaks (7.42, 0.85, 24.20 ppm; 4.84 A): 2 out of 6 assignments used, quality = 0.95: QD PHE 34 + QG2 VAL 30 OK 92 100 - 92 - 5070/2.1=28, 5060/3.2=26...(31) H ALA 76 + QG2 VAL 30 OK 42 87 - 48 - 5070/2.1=8, 6380=6...(13) H THR 46 - QG2 VAL 30 OK 18 100 - 18 - 5060/3.2=5, 5070/2.1=4...(4) QD PHE 34 - QD2 LEU 62 OK 16 53 - 30 - 4.3/5225=4, 4.5/5192=3...(11) H ALA 76 - QD2 LEU 62 poor 6 40 - 15 - 6380=2, 3.6/6364=1...(7) H THR 46 - QD2 LEU 62 lone 3 53 - 6 - Peak 5067 from cnoeabs.peaks (6.21, 0.84, 22.51 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.98: QE TYR 33 + QG1 VAL 30 OK 84 100 - 84 - ~5056=25, 5057/3.2=19...(19) QD PHE 88 + QG1 VAL 30 OK 78 100 - 78 - 5057/3.2=17, 5062/2.1=17...(20) QD PHE 88 + QG2 VAL 25 OK 48 64 - 76 - 4890/2.1=25, ~4861=9...(21) QE TYR 33 - QG2 VAL 25 OK 25 62 - 41 - 4890/2.1=14, ~4855=8...(12) Peak 5068 from cnoeabs.peaks (6.88, 0.84, 22.51 ppm; 3.48 A): 4 out of 6 assignments used, quality = 0.90: QE PHE 34 + QG1 VAL 30 OK 71 100 - 72 - 2.2/5070=19, 5063/2.1=10...(23) HZ PHE 34 + QG1 VAL 30 OK 51 95 - 54 - 3.8/5070=12, 4828=8...(14) QE PHE 34 + QG2 VAL 25 OK 18 63 - 28 - 4833/2.1=8, 2.2/5070=5...(6) HZ PHE 34 + QG2 VAL 25 OK 14 56 - 26 - 4829/2.1=7, ~4833=5...(6) QE TYR 54 - QG1 VAL 30 lone 4 60 - 6 - 5063/2.1=1 QE TYR 54 - QG2 VAL 25 lone 2 31 - 5 - Peak 5069 from cnoeabs.peaks (6.97, 0.84, 22.51 ppm; 3.80 A): 5 out of 16 assignments used, quality = 0.94: HZ PHE 88 + QG1 VAL 30 OK 60 99 - 61 - 4850/3.2=17, 4852=9...(15) QE PHE 88 + QG1 VAL 30 OK 45 76 - 59 - 4743/3.2=10, ~4850=9...(18) QE PHE 83 + QG1 VAL 30 OK 40 96 - 41 - 2.2/5071=5, 2.2/4836=4...(16) QE PHE 70 + QG1 VAL 30 OK 38 100 - 38 - 5064/2.1=5, 2.2/4777=4...(14) HZ PHE 88 + QG2 VAL 25 OK 31 60 - 51 - 4878/2.1=8, 4852=7...(15) HZ PHE 83 - QG1 VAL 30 OK 25 73 - 34 - 5064/2.1=4, 4836=4...(12) QE PHE 83 - QG2 VAL 25 OK 22 57 - 39 - ~4806=6, 4878/2.1=5...(13) QE PHE 88 - QG2 VAL 25 OK 21 41 - 51 - ~4890=9, 4878/2.1=8...(14) QE PHE 70 - QG2 VAL 25 OK 21 63 - 33 - 4878/2.1=5, 4925/4.3=4...(10) HZ PHE 83 - QG2 VAL 25 OK 12 39 - 30 - 4806/2.1=7, 4878/2.1=4...(10) HE22 GLN 48 - QG1 VAL 30 lone 7 99 - 7 - HD21 ASN 52 - QG1 VAL 30 lone 5 93 - 6 - 5.5/7218=1 HD21 ASN 24 - QG2 VAL 25 lone 3 41 - 8 - ~4871=4, 4878/2.1=2 HE22 GLN 48 - QG2 VAL 25 lone 3 61 - 5 - 4925/4.3=1 HD21 ASN 52 - QG2 VAL 25 lone 2 54 - 4 - 4878/2.1=1 HD21 ASN 24 - QG1 VAL 30 lone 1 76 - 2 - Peak 5070 from cnoeabs.peaks (7.42, 0.84, 22.51 ppm; 3.45 A): 3 out of 6 assignments used, quality = 0.81: QD PHE 34 + QG1 VAL 30 OK 71 99 - 72 - 2.2/5068=14, 5060/3.2=13...(25) H ALA 76 + QG1 VAL 30 OK 21 76 - 27 - 5066/2.1=4, 5060/3.2=3...(11) QD PHE 34 + QG2 VAL 25 OK 17 60 - 29 - ~4833=5, 2.2/5068=4...(8) H THR 46 - QG1 VAL 30 lone 9 100 - 9 - 5060/3.2=3, 5066/2.1=2 H ALA 76 - QG2 VAL 25 lone 3 41 - 6 - 2.9/6384=1 H THR 46 - QG2 VAL 25 lone 1 63 - 2 - Peak 5071 from cnoeabs.peaks (7.53, 0.84, 22.51 ppm; 5.16 A): 5 out of 6 assignments used, quality = 0.95: H TYR 33 + QG1 VAL 30 OK 82 100 - 83 - 4424/3.2=26, 1149/4.2=21...(19) QD PHE 83 + QG1 VAL 30 OK 47 76 - 61 - 4424/3.2=9, 2.4/5047=9...(22) H GLN 36 + QG1 VAL 30 OK 25 60 - 41 - 4424/3.2=6, 1149/4.2=6...(12) QD PHE 83 + QG2 VAL 25 OK 20 41 - 48 - ~6614=8, 4864/2.1=7...(14) H TYR 33 + QG2 VAL 25 OK 13 62 - 21 - 4.5/4654=4, 4.0/5169=2...(6) H GLN 36 - QG2 VAL 25 lone 2 31 - 7 - Peak 5072 from cnoeabs.peaks (8.21, 2.19, 31.35 ppm; 5.02 A): 4 out of 8 assignments used, quality = 0.83: H SER 29 + HB VAL 30 OK 58 92 - 63 - 100/4.0=27, 1146/4.4=19...(8) H GLY 20 + HB VAL 30 OK 48 100 - 48 - 5074/2.1=11, 4753/2.1=8...(15) H ASP 12 + HB VAL 30 OK 14 93 - 14 - 1146/4.4=3, 100/4.0=3...(5) H GLY 20 + HB3 PRO 92 OK 12 62 - 20 - 1072/4.1=13, 6800/5043=1 H GLU 87 - HB VAL 30 lone 6 81 - 8 - 5074/2.1=1, 1005=1 H GLU 87 - HB3 PRO 92 poor 6 43 - 14 - 4.6/1008=3, 1002/1.8=3...(6) H SER 29 - HB3 PRO 92 lone 3 52 - 5 - H ASP 12 - HB3 PRO 92 lone 1 53 - 2 - Peak 5073 from cnoeabs.peaks (8.24, 0.85, 24.20 ppm; 5.01 A): 3 out of 6 assignments used, quality = 0.87: H SER 29 + QG2 VAL 30 OK 75 99 - 76 - 100/3.9=29, 1146/4.2=21...(12) H GLY 20 + QG2 VAL 30 OK 36 76 - 48 - 100/3.9=9, 5072/2.1=7...(15) H ASP 12 + QG2 VAL 30 OK 15 99 - 15 - 1146/4.2=4, 100/3.9=3...(5) H SER 29 - QD2 LEU 62 poor 7 51 - 13 - 5024=2, 4.6/700=2...(5) H GLY 20 - QD2 LEU 62 lone 3 34 - 10 - 4.6/4813=1 H ASP 12 - QD2 LEU 62 lone 1 51 - 3 - Peak 5074 from cnoeabs.peaks (8.21, 0.84, 22.51 ppm; 5.23 A): 5 out of 8 assignments used, quality = 0.83: H SER 29 + QG1 VAL 30 OK 50 73 - 68 - 100/3.9=22, 1146/4.2=17...(11) H GLY 20 + QG1 VAL 30 OK 47 99 - 48 - 5072/2.1=13, 4753/2.1=9...(12) H SER 29 + QG2 VAL 25 OK 16 39 - 41 - 5011/4.3=18, 4.0/5031=6...(7) H GLY 20 + QG2 VAL 25 OK 14 60 - 24 - ~4905=4, 49/2.1=4...(8) H ASP 12 + QG1 VAL 30 OK 11 76 - 14 - 5072/2.1=4, 1146/4.2=3...(5) H GLU 87 - QG1 VAL 30 lone 6 96 - 7 - 5072/2.1=2 H GLU 87 - QG2 VAL 25 lone 4 57 - 7 - 4.6/6716=2 H ASP 12 - QG2 VAL 25 lone 2 41 - 5 - 4916/4.3=2 Peak 5076 from cnoeabs.peaks (7.42, 3.89, 55.52 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.87: QD PHE 34 + HA ALA 31 OK 81 100 - 81 - 2.4/4435=22, 4.5/1162=21...(15) H ALA 76 + HA ALA 31 OK 22 87 - 25 - 345=5, ~5093=5...(7) H THR 46 + HA ALA 31 OK 14 100 - 14 - 197/3.6=5, 5712/5723=3...(5) Peak 5077 from cnoeabs.peaks (7.96, 1.46, 17.52 ppm; 4.40 A): 4 out of 5 assignments used, quality = 0.94: H VAL 30 + QB ALA 31 OK 81 97 - 83 - 1082/2.9=26, 1144/3.5=19...(21) H PHE 34 + QB ALA 31 OK 52 71 - 74 - 1162/2.1=17, 4.6/5078=16...(14) H ASP 81 + QB ALA 31 OK 26 100 - 26 - 369=5, 3.0/5080=3...(8) H ASP 84 + QB ALA 31 OK 16 97 - 16 - 104/2.9=3, ~7165=2...(5) HE21 GLN 19 - QB ALA 31 lone 5 96 - 5 - Peak 5078 from cnoeabs.peaks (7.53, 1.46, 17.52 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.91: H TYR 33 + QB ALA 31 OK 87 100 - 87 - 1084/3.5=31, 5163=24...(13) H GLN 36 + QB ALA 31 OK 31 83 - 37 - 4430/2.1=8, 1084/3.5=8...(10) Peak 5079 from cnoeabs.peaks (8.79, 1.46, 17.52 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.89: H GLU 28 + QB ALA 31 OK 81 97 - 84 - 2.9/4414=26, 3.6/5081=25...(17) H ASN 43 + QB ALA 31 OK 25 87 - 29 - 4.2/5492=6, 4.6/176=4...(7) H ILE 16 + QB ALA 31 OK 22 73 - 29 - 4572/5102=6, 4576=4...(8) H LEU 62 - QB ALA 31 lone 4 78 - 6 - 4.5/7073=1 Peak 5080 from cnoeabs.peaks (4.31, 1.46, 17.52 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.98: HA ASP 32 + QB ALA 31 OK 96 100 - 96 - 4.8=68, 3.0/4112=31...(17) HA PHE 34 + QB ALA 31 OK 45 65 - 69 - ~1162=12, 3.0/5099=10...(16) HA ASP 81 - QB ALA 31 OK 15 99 - 16 - 3.0/5077=4, 3.0/5098=3...(6) HB THR 59 - QB ALA 31 lone 2 87 - 3 - Peak 5081 from cnoeabs.peaks (3.53, 1.46, 17.52 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.78: HA ILE 27 + QB ALA 31 OK 78 93 - 84 - 1148/2.9=29, 3.6/5079=20...(18) Peak 5086 from cnoeabs.peaks (2.20, 3.89, 55.52 ppm; 4.84 A): 2 out of 8 assignments used, quality = 0.95: HB VAL 30 + HA ALA 31 OK 84 99 - 85 - 4108/3.0=25, 5113/3.6=14...(19) HB2 PRO 49 + HA ALA 31 OK 67 81 - 84 - ~5093=27, ~5095=19...(18) HB3 GLN 48 - HA ALA 31 OK 11 100 - 11 - 106/3.0=3, 5097/2.1=2...(4) HG2 GLU 65 - HA ALA 31 lone 10 99 - 9 - 5113/3.6=2, 106/3.0=2...(4) HB2 PHE 88 - HA ALA 31 lone 7 78 - 9 - 106/3.0=2, 5445/5089=2 HG3 GLU 87 - HA ALA 31 lone 7 100 - 7 - 5740/5723=1, 106/3.0=1 HG3 PRO 92 - HA ALA 31 lone 5 68 - 7 - 106/3.0=1 HB3 PRO 92 - HA ALA 31 lone 4 57 - 8 - 4108/3.0=1 Peak 5087 from cnoeabs.peaks (1.63, 3.89, 55.52 ppm; 4.87 A): 1 out of 8 assignments used, quality = 0.96: HG12 ILE 40 + HA ALA 31 OK 96 99 - 97 - 2.1/5089=41, ~5091=29...(23) HG12 ILE 27 - HA ALA 31 OK 38 68 - 56 - ~7178=13, ~5083=12...(9) HD2 LYS 41 - HA ALA 31 OK 31 99 - 32 - ~2128=4, 2096/3.0=4...(12) HD3 LYS 41 - HA ALA 31 OK 31 99 - 32 - ~2128=4, 2096/3.0=4...(12) HB2 MET 50 - HA ALA 31 OK 23 87 - 26 - 5661/2.1=6, ~5697=5...(7) HB VAL 18 - HA ALA 31 OK 17 100 - 17 - 2.1/5088=3, 6138/5101=3...(6) HG3 GLN 19 - HA ALA 31 lone 7 92 - 7 - ~1416=2, 1424/3.0=2, ~5084=1 HB3 LYS 61 - HA ALA 31 lone 1 68 - 2 - Peak 5088 from cnoeabs.peaks (0.87, 3.89, 55.52 ppm; 3.15 A): 4 out of 7 assignments used, quality = 0.84: QD1 ILE 51 + HA ALA 31 OK 58 100 - 59 - 5723=34, 5708/3.0=11...(10) QG2 VAL 30 + HA ALA 31 OK 41 73 - 56 - 5090/2.1=9, 4109/3.0=6...(17) QG2 ILE 39 + HA ALA 31 OK 27 92 - 29 - 4152/3.0=6, 5090/2.1=4...(12) QG2 THR 42 + HA ALA 31 OK 13 100 - 13 - 5492/2.1=4, ~5490=2...(6) QG1 VAL 18 - HA ALA 31 lone 9 100 - 9 - 4061/3.0=2, 5090/2.1=2 QG2 ILE 80 - HA ALA 31 lone 6 65 - 10 - 5090/2.1=2, 5116/3.6=2...(4) QG2 ILE 37 - HA ALA 31 lone 5 78 - 7 - 5287=1 Peak 5089 from cnoeabs.peaks (0.75, 3.89, 55.52 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.83: QD1 ILE 40 + HA ALA 31 OK 83 100 - 83 - 5426=36, 5091/2.1=23...(29) QG2 ILE 93 - HA ALA 31 poor 9 65 - 14 - 5082/3.0=3, 5091/2.1=3 QD1 LEU 53 - HA ALA 31 poor 9 81 - 11 - 5091/2.1=3, 5117/3.6=2 Peak 5090 from cnoeabs.peaks (0.87, 1.46, 17.52 ppm; 2.75 A): 6 out of 9 assignments used, quality = 0.89: QG2 VAL 30 + QB ALA 31 OK 46 85 - 54 - 4.2/1673=8, 2.1/5097=6...(20) QD1 ILE 51 + QB ALA 31 OK 43 99 - 44 - 5723/2.1=17, 5708/2.9=8...(10) QG1 VAL 30 + QB ALA 31 OK 35 71 - 50 - 4.2/1673=8, 2.1/5097=6...(20) QG2 ILE 39 + QB ALA 31 OK 22 83 - 27 - 5088/2.1=4, 4152/2.9=4...(12) QG2 THR 42 + QB ALA 31 OK 22 98 - 22 - 5492=3, 5088/2.1=2...(12) QG2 ILE 80 + QB ALA 31 OK 11 78 - 14 - 7125/4.8=2, 5116/3.5=1...(4) QG1 VAL 18 - QB ALA 31 lone 8 100 - 8 - 4061/2.9=2, 5088/2.1=1 QG2 ILE 37 - QB ALA 31 lone 5 89 - 6 - QD2 LEU 62 - QB ALA 31 lone 3 63 - 5 - Peak 5091 from cnoeabs.peaks (0.75, 1.46, 17.52 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.86: QD1 ILE 40 + QB ALA 31 OK 84 100 - 84 - 5089/2.1=27, 5440=22...(31) QD1 LEU 53 + QB ALA 31 OK 12 81 - 15 - 5089/2.1=3, 5810/5081=2...(5) QG2 ILE 93 - QB ALA 31 poor 9 65 - 14 - 5082/2.9=3, 5089/2.1=3, ~6796=1 Peak 5092 from cnoeabs.peaks (0.53, 1.46, 17.52 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.98: HG13 ILE 40 + QB ALA 31 OK 98 99 - 99 - 2.1/5091=40, ~5089=37...(26) Peak 5093 from cnoeabs.peaks (1.59, 1.46, 17.52 ppm; 3.43 A): 0 out of 5 assignments used, low quality = 0.38: HB3 PRO 49 - QB ALA 31 OK 38 63 - 61 - 2.3/5095=17, 1.8/5097=17...(16) QB ALA 76 - QB ALA 31 lone 8 98 - 8 - ~5076=2, ~345=2 HD2 LYS 63 - QB ALA 31 lone 3 100 - 3 - HG3 LYS 77 - QB ALA 31 lone 2 78 - 3 - HG2 LYS 77 - QB ALA 31 lone 2 76 - 3 - Peak 5094 from cnoeabs.peaks (1.69, 1.46, 17.52 ppm; 3.94 A): 3 out of 18 assignments used, quality = 0.97: HB ILE 40 + QB ALA 31 OK 90 100 - 90 - 3.2/5091=27, 3.0/5092=16...(26) HG12 ILE 39 + QB ALA 31 OK 45 100 - 46 - 4153/2.9=9, 5370/2.1=7...(12) HG12 ILE 27 + QB ALA 31 OK 36 60 - 60 - 3.8/5081=19, 2.1/7178=16...(10) HD3 LYS 35 - QB ALA 31 OK 22 100 - 22 - 5240/4.8=8, ~5115=6...(5) HD3 LYS 45 - QB ALA 31 OK 20 93 - 21 - 3.6/5095=4, 3.6/5095=4...(6) HD2 LYS 45 - QB ALA 31 OK 19 90 - 21 - 3.6/5095=4, 3.6/5095=4...(6) QB ALA 79 - QB ALA 31 OK 12 85 - 14 - 6494/5102=4, 3.7/958=2 HD3 LYS 44 - QB ALA 31 OK 11 100 - 11 - 5.4/4414=2 HD2 LYS 44 - QB ALA 31 OK 11 99 - 11 - 5.4/4414=2 HD2 LYS 94 - QB ALA 31 lone 9 97 - 9 - ~6871=2, ~6872=1 HD3 LYS 94 - QB ALA 31 lone 9 97 - 9 - ~6871=2, ~6872=1 HD3 LYS 63 - QB ALA 31 lone 6 99 - 6 - 1.8/5093=2 HD3 LYS 61 - QB ALA 31 lone 6 99 - 6 - HD2 LYS 61 - QB ALA 31 lone 6 99 - 6 - HD2 LYS 77 - QB ALA 31 lone 5 92 - 5 - 3.0/5093=1, 3.0/5093=1 HB3 LYS 61 - QB ALA 31 lone 2 60 - 4 - HG2 ARG 57 - QB ALA 31 lone 1 100 - 1 - HG3 ARG 57 - QB ALA 31 lone 1 99 - 1 - Peak 5095 from cnoeabs.peaks (1.94, 1.46, 17.52 ppm; 3.72 A): 3 out of 5 assignments used, quality = 0.79: HG3 PRO 49 + QB ALA 31 OK 70 100 - 70 - 2.3/5093=26, 2.3/5097=17...(15) HB2 LYS 45 + QB ALA 31 OK 16 95 - 17 - 4.0/4112=4, 3.0/2078=2...(9) HB3 LYS 45 + QB ALA 31 OK 16 95 - 17 - 4.0/4112=4, 3.0/2078=2...(9) HB VAL 95 - QB ALA 31 lone 9 98 - 9 - ~6929=2, 2.1/6896=1, ~5083=1 HG3 PRO 73 - QB ALA 31 lone 2 95 - 2 - Peak 5096 from cnoeabs.peaks (2.00, 1.46, 17.52 ppm; 3.70 A): 5 out of 11 assignments used, quality = 0.91: HG2 PRO 49 + QB ALA 31 OK 75 100 - 75 - 2.3/5093=25, 1.8/5095=22...(16) HB3 GLU 28 + QB ALA 31 OK 42 65 - 64 - 3.0/4414=20, 3.7/5079=12...(13) HB3 MET 50 + QB ALA 31 OK 20 76 - 27 - 1.8/5661=5, 5664=4...(9) HB VAL 25 + QB ALA 31 OK 14 96 - 14 - 2.1/7073=2, 5084/2.9=2...(4) QE MET 50 + QB ALA 31 OK 12 65 - 18 - 4.1/5661=3, 4.1/5664=3...(6) HB3 GLN 36 - QB ALA 31 lone 8 97 - 8 - 4.0/5078=4, 5114/3.5=1 HB2 GLU 65 - QB ALA 31 lone 4 63 - 6 - HB2 LYS 77 - QB ALA 31 lone 4 65 - 5 - 2.9/5093=1, 2.9/5093=1 HG3 PRO 74 - QB ALA 31 lone 3 81 - 4 - HG2 PRO 92 - QB ALA 31 lone 3 81 - 4 - HB2 GLU 23 - QB ALA 31 lone 3 100 - 3 - Peak 5097 from cnoeabs.peaks (2.22, 1.46, 17.52 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.87: HB2 PRO 49 + QB ALA 31 OK 74 100 - 75 - 1.8/5093=29, 2.3/5095=20...(18) HB VAL 30 + QB ALA 31 OK 51 71 - 72 - 4.4/1673=14, 2.1/5090=10...(18) HB3 GLN 48 - QB ALA 31 poor 10 78 - 13 - 4.8/5650=3, 4.8/5653=2...(5) HG2 GLU 65 - QB ALA 31 lone 5 71 - 6 - HG3 GLU 87 - QB ALA 31 lone 3 83 - 4 - HG2 GLU 58 - QB ALA 31 lone 1 83 - 1 - Peak 5098 from cnoeabs.peaks (2.63, 1.46, 17.52 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.94: HB3 ASP 32 + QB ALA 31 OK 92 99 - 93 - 707/3.5=36, ~1680=27...(11) HB3 ASP 12 + QB ALA 31 OK 19 100 - 18 - 707/3.5=6, 5138/2.9=4...(5) HB3 ASP 81 + QB ALA 31 OK 15 100 - 14 - 4.0/5077=5, 3.0/5080=4 Peak 5099 from cnoeabs.peaks (2.76, 1.46, 17.52 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.94: HB2 ASP 32 + QB ALA 31 OK 86 100 - 86 - 1680/3.5=31, 1.8/5098=20...(10) HB3 PHE 34 + QB ALA 31 OK 60 92 - 66 - 4435/2.1=14, ~5076=11...(12) HB3 PHE 70 - QB ALA 31 OK 24 76 - 32 - 4434/2.1=5, 5085/2.9=5...(11) HB3 ASP 84 - QB ALA 31 OK 11 83 - 13 - 5085/2.9=2, 4434/2.1=2...(5) Peak 5101 from cnoeabs.peaks (0.01, 3.89, 55.52 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.89: QG1 VAL 68 + HA ALA 31 OK 89 100 - 89 - 5102/2.1=35, 6146=29...(19) Peak 5102 from cnoeabs.peaks (0.00, 1.46, 17.52 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.83: QG1 VAL 68 + QB ALA 31 OK 83 99 - 84 - 5101/2.1=38...(23) Peak 5104 from cnoeabs.peaks (0.28, 3.75, 66.89 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 21 + HA VAL 30 OK 87 100 - 87 - 2.1/5105=19, 5107/3.2=19...(26) QG2 VAL 68 + HA VAL 30 OK 70 95 - 74 - ~5110=16, 5107/3.2=15...(18) QD1 ILE 16 - HA VAL 30 OK 18 68 - 27 - 4684/5060=4, 5107/3.2=4...(11) Peak 5105 from cnoeabs.peaks (-0.19, 3.75, 66.89 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 21 + HA VAL 30 OK 91 100 - 91 - 5108/3.2=25, 2.1/5104=22...(28) QD1 ILE 80 + HA VAL 30 OK 58 97 - 60 - 5108/3.2=13, 5111/3.2=10...(19) Peak 5106 from cnoeabs.peaks (0.29, 2.19, 31.35 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.97: QD1 LEU 21 + HB VAL 30 OK 85 97 - 87 - 5107/2.1=20, ~5108=19...(26) QG2 VAL 68 + HB VAL 30 OK 79 100 - 80 - ~5110=20, 6130=19...(21) QD1 LEU 21 - HB3 PRO 92 OK 13 57 - 23 - 1473/4.1=6, 2.1/4804=3...(7) QG2 VAL 68 - HB3 PRO 92 lone 6 61 - 10 - 6170/4.1=3 Peak 5107 from cnoeabs.peaks (0.28, 0.85, 24.20 ppm; 3.22 A): 4 out of 6 assignments used, quality = 0.89: QD1 LEU 21 + QG2 VAL 30 OK 69 100 - 69 - 2.1/5108=14, 5109/2.1=12...(20) QG2 VAL 68 + QG2 VAL 30 OK 55 95 - 58 - 5109/2.1=10, ~5110=8...(20) QD1 ILE 16 + QG2 VAL 30 OK 13 68 - 20 - 5109/2.1=3, 1320=2...(6) QG2 VAL 68 + QD2 LEU 62 OK 12 46 - 26 - 6125/2.1=5, 6124=3...(10) QD1 LEU 21 - QD2 LEU 62 poor 9 53 - 17 - 4824/5052=4, 4822=2...(4) QD1 ILE 16 - QD2 LEU 62 lone 3 30 - 8 - 4599/2.1=1 Peak 5108 from cnoeabs.peaks (-0.18, 0.85, 24.20 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.88: QD2 LEU 21 + QG2 VAL 30 OK 79 100 - 79 - 2.1/5107=18, 5111/2.1=16...(26) QD1 ILE 80 + QG2 VAL 30 OK 41 99 - 42 - 5111/2.1=8, 5105/3.2=6...(11) QD2 LEU 21 - QD2 LEU 62 poor 9 53 - 17 - 5824/5052=3, 2.1/5107=2...(4) QD1 ILE 80 - QD2 LEU 62 poor 9 51 - 17 - 6505/2.1=3, 3390=2...(4) Peak 5109 from cnoeabs.peaks (0.28, 0.84, 22.51 ppm; 2.91 A): 5 out of 6 assignments used, quality = 0.89: QD1 LEU 21 + QG1 VAL 30 OK 58 100 - 58 - 5107/2.1=11, 4822=9...(17) QG2 VAL 68 + QG1 VAL 30 OK 46 95 - 48 - 5107/2.1=9, 2.1/5110=9...(17) QD1 LEU 21 + QG2 VAL 25 OK 37 64 - 58 - 4911/2.1=17, 4822=10...(16) QD1 ILE 16 + QG1 VAL 30 OK 12 68 - 18 - 1320=3, 5107/2.1=2...(6) QG2 VAL 68 + QG2 VAL 25 OK 11 56 - 20 - 4911/2.1=7, 2.1/5110=3...(6) QD1 ILE 16 - QG2 VAL 25 poor 4 36 - 10 - 1320=2, 4632/3.9=2 Peak 5110 from cnoeabs.peaks (-0.00, 0.84, 22.51 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.85: QG1 VAL 68 + QG1 VAL 30 OK 80 97 - 82 - 2.1/5109=14, ~5107=12...(30) QG1 VAL 68 + QG2 VAL 25 OK 26 59 - 44 - ~4911=10, ~4908=7...(11) Peak 5111 from cnoeabs.peaks (-0.19, 0.84, 22.51 ppm; 3.70 A): 4 out of 4 assignments used, quality = 0.93: QD2 LEU 21 + QG1 VAL 30 OK 75 100 - 75 - 5108/2.1=19, 2.1/5109=15...(23) QD2 LEU 21 + QG2 VAL 25 OK 47 63 - 74 - 4912/2.1=24, ~4911=16...(18) QD1 ILE 80 + QG1 VAL 30 OK 38 97 - 40 - 5108/2.1=10, 5105/3.2=6...(9) QD1 ILE 80 + QG2 VAL 25 OK 10 58 - 17 - 4912/2.1=4, 4909/2.1=2, 3390=1 Peak 5112 from cnoeabs.peaks (0.61, 0.82, 22.47 ppm; 3.48 A): 2 out of 2 assignments used, quality = 0.82: QD2 LEU 53 + QG2 VAL 25 OK 70 100 - 70 - 4910/2.1=37, 4907/2.1=14...(15) QD2 LEU 53 + QG1 VAL 30 OK 39 64 - 61 - 5052/2.1=22, 5038/3.9=14...(18) Peak 5118 from cnoeabs.peaks (1.74, 4.30, 56.98 ppm; 3.16 A): 5 out of 10 assignments used, quality = 0.94: HD2 LYS 35 + HA ASP 32 OK 61 100 - 62 - 5239=13, 1.8/5240=11...(15) HG2 LYS 35 + HA ASP 32 OK 50 83 - 61 - 5236=12, 1.8/5121=10...(17) HD2 LYS 35 + HA ASP 81 OK 39 91 - 43 - 5239=9, 1.8/5240=8...(12) HG2 LYS 35 + HA ASP 81 OK 29 70 - 42 - 5236=8, 1.8/5121=7...(11) HB ILE 80 + HA ASP 81 OK 28 65 - 43 - 2.1/7125=10, 367/3.0=10...(14) HB ILE 80 - HA ASP 32 OK 19 78 - 25 - 2.1/7125=7, 5123/3.0=4...(11) HB2 LEU 53 - HA ASP 32 lone 3 78 - 4 - ~5117=1 HB2 LEU 53 - HA ASP 81 lone 3 65 - 5 - HB3 GLN 19 - HA ASP 32 lone 2 89 - 3 - HB3 GLN 19 - HA ASP 81 lone 1 76 - 1 - Peak 5119 from cnoeabs.peaks (1.67, 4.30, 56.98 ppm; 4.14 A): 5 out of 38 assignments used, quality = 0.92: HD3 LYS 35 + HA ASP 32 OK 66 83 - 80 - 1.8/5239=20, 5240=17...(16) HD3 LYS 35 + HA ASP 81 OK 41 70 - 60 - 1.8/5239=14, 5240=12...(11) QB ALA 79 + HA ASP 81 OK 36 90 - 40 - ~1196=8, 6459/3.6=8...(8) HB ILE 40 + HA ASP 32 OK 24 89 - 27 - ~5117=9, 3.2/5428=8...(6) HG12 ILE 40 + HA ASP 32 OK 20 71 - 28 - ~5117=12, 2.1/5428=9...(4) HD2 LYS 44 - HA ASP 32 lone 9 90 - 10 - 3.0/5134=1, 3.0/5134=1 HD3 LYS 44 - HA ASP 32 lone 9 89 - 10 - 3.0/5134=1, 3.0/5134=1 QB ALA 79 - HA ASP 32 lone 8 100 - 8 - 6461/1160=2, 6491/7079=1 HD3 LYS 61 - HA ASP 32 lone 6 90 - 7 - 2.9/5134=1 HD2 LYS 61 - HA ASP 32 lone 6 90 - 7 - 2.9/5134=1 HB ILE 40 - HA ASP 81 lone 6 76 - 8 - 3.2/5428=3, ~1198=1 HB2 MET 50 - HA ASP 32 lone 6 92 - 6 - 5661/4.8=3 HD3 LYS 63 - HA ASP 32 lone 6 90 - 6 - 5.9/4437=1 HD2 LYS 94 - HA ASP 32 lone 5 96 - 5 - HD3 LYS 94 - HA ASP 32 lone 5 96 - 5 - HB3 LYS 61 - HA ASP 32 lone 4 99 - 4 - HD2 LYS 61 - HA ASP 81 lone 4 77 - 5 - HD3 LYS 61 - HA ASP 81 lone 4 77 - 5 - HG12 ILE 40 - HA ASP 81 lone 3 59 - 6 - 2.1/5428=3 HG12 ILE 27 - HA ASP 32 lone 3 99 - 3 - 5094/4.8=1 HB3 LYS 61 - HA ASP 81 lone 3 88 - 4 - HG12 ILE 39 - HA ASP 32 lone 3 65 - 4 - 5094/4.8=2 HD3 LYS 63 - HA ASP 81 lone 3 77 - 3 - HG3 ARG 57 - HA ASP 81 lone 3 79 - 3 - HG3 GLN 19 - HA ASP 32 lone 3 87 - 3 - HD3 LYS 94 - HA ASP 81 lone 2 83 - 3 - HD2 LYS 94 - HA ASP 81 lone 2 83 - 3 - HG2 ARG 57 - HA ASP 81 lone 2 76 - 3 - HD2 LYS 44 - HA ASP 81 lone 2 77 - 3 - HD3 LYS 44 - HA ASP 81 lone 2 76 - 3 - HB2 MET 50 - HA ASP 81 lone 2 79 - 3 - HG3 ARG 57 - HA ASP 32 lone 2 92 - 2 - HG2 ARG 57 - HA ASP 32 lone 2 89 - 2 - HG12 ILE 27 - HA ASP 81 lone 1 88 - 2 - HB VAL 18 - HA ASP 32 lone 1 63 - 2 - HB VAL 18 - HA ASP 81 lone 1 51 - 2 - HG3 GLN 19 - HA ASP 81 lone 1 74 - 1 - HG12 ILE 39 - HA ASP 81 lone 1 54 - 2 - Peak 5120 from cnoeabs.peaks (1.45, 4.30, 56.98 ppm; 4.54 A): 3 out of 26 assignments used, quality = 0.98: QB ALA 31 + HA ASP 32 OK 89 90 - 99 - 4.8=86, 4112/3.0=30...(17) HG12 ILE 80 + HA ASP 81 OK 63 90 - 71 - 3.2/7125=17, 369/3.0=14...(13) HG12 ILE 80 + HA ASP 32 OK 46 100 - 46 - 3.2/7125=10, 5124/3.0=7...(12) HB ILE 51 - HA ASP 32 OK 24 97 - 25 - 111/3.0=4, 5124/3.0=3...(9) HG13 ILE 51 - HA ASP 32 OK 18 93 - 20 - ~5116=4, ~5739=3, ~111=2...(8) QB ALA 31 - HA ASP 81 OK 15 77 - 19 - 5080=4, 5077/3.0=4...(6) HG2 LYS 63 - HA ASP 32 OK 10 93 - 11 - 4.9/4437=2 HG3 LYS 63 - HA ASP 32 OK 10 93 - 11 - 4.9/4437=2 HB2 LYS 41 - HA ASP 32 OK 10 78 - 13 - 111/3.0=3, 5163/3.6=2...(6) HG2 LYS 44 - HA ASP 32 poor 9 71 - 13 - 111/3.0=2, 5163/3.6=1...(8) HG3 LYS 94 - HA ASP 32 lone 9 99 - 9 - 4.9/4438=2 HB ILE 51 - HA ASP 81 poor 9 86 - 10 - ~5704=3, 369/3.0=2, ~5710=2 QG2 THR 67 - HA ASP 32 lone 8 100 - 8 - 5163/3.6=1, 111/3.0=1 HG13 ILE 51 - HA ASP 81 lone 8 81 - 10 - ~5710=2, ~5704=2, 369/3.0=1 HG3 LYS 61 - HA ASP 32 lone 5 68 - 7 - HG2 LYS 61 - HA ASP 32 lone 5 65 - 7 - QG2 THR 67 - HA ASP 81 lone 5 90 - 5 - 6089/3.0=1 HG3 LYS 94 - HA ASP 81 lone 4 89 - 5 - 369/3.0=1 HD3 LYS 86 - HA ASP 32 lone 4 68 - 6 - 3.0/5121=1 HG2 LYS 63 - HA ASP 81 lone 4 81 - 5 - HG3 LYS 63 - HA ASP 81 lone 4 81 - 5 - HB2 LYS 41 - HA ASP 81 lone 3 65 - 5 - HG3 LYS 61 - HA ASP 81 lone 3 56 - 6 - HG2 LYS 61 - HA ASP 81 lone 3 54 - 5 - HG2 LYS 44 - HA ASP 81 lone 2 59 - 3 - HD3 LYS 86 - HA ASP 81 lone 2 56 - 3 - Peak 5121 from cnoeabs.peaks (1.25, 4.30, 56.98 ppm; 4.20 A): 2 out of 10 assignments used, quality = 0.88: HG3 LYS 35 + HA ASP 32 OK 76 93 - 81 - 1.8/5236=22, 5238=19...(16) HG3 LYS 35 + HA ASP 81 OK 51 81 - 64 - 1.8/5236=15, 5238=13...(13) QB ALA 98 - HA ASP 81 poor 9 81 - 11 - 7008/3.0=2, ~4329=2...(5) HG3 LYS 86 - HA ASP 32 lone 6 100 - 6 - 6675/3.6=1 QB ALA 98 - HA ASP 32 lone 5 93 - 5 - 7015/4.8=1 HG3 LYS 86 - HA ASP 81 lone 3 90 - 3 - QG2 THR 59 - HA ASP 32 lone 2 60 - 3 - QG2 THR 26 - HA ASP 32 lone 1 95 - 1 - QG2 THR 59 - HA ASP 81 lone 1 49 - 2 - QG2 THR 26 - HA ASP 81 lone 1 82 - 1 - Peak 5122 from cnoeabs.peaks (0.84, 4.30, 56.98 ppm; 4.09 A): 4 out of 16 assignments used, quality = 0.95: QG2 ILE 80 + HA ASP 81 OK 66 90 - 73 - 7125=23, 4324/3.0=17...(17) QG2 ILE 80 + HA ASP 32 OK 49 100 - 49 - 7125=15, 6518/3.0=7...(16) QG1 VAL 30 + HA ASP 32 OK 46 100 - 46 - 5071/3.6=8, ~4423=7...(11) QG2 VAL 30 + HA ASP 32 OK 44 99 - 45 - ~4423=7, ~5113=7...(11) QG2 ILE 37 - HA ASP 81 OK 30 87 - 35 - 3.3/7079=19, 6577/3.6=6...(5) QG2 ILE 40 - HA ASP 32 OK 21 73 - 28 - ~5117=8, 3.3/5428=8...(6) QG2 ILE 37 - HA ASP 32 OK 18 98 - 18 - 3.3/7079=5, 5164/3.6=3...(5) QG1 VAL 30 - HA ASP 81 OK 12 91 - 14 - 368/3.0=2, 6577/3.6=2...(5) QG2 VAL 30 - HA ASP 81 OK 12 88 - 14 - 368/3.0=3, 6577/3.6=2...(5) QD2 LEU 62 - HA ASP 32 lone 10 100 - 10 - 5164/3.6=1, 4258/1160=1 QG2 ILE 16 - HA ASP 32 lone 8 97 - 8 - 4588/4.8=2, 5164/3.6=1 QG2 VAL 25 - HA ASP 32 lone 8 78 - 10 - ~4881=2, ~5114=1...(4) QG2 ILE 16 - HA ASP 81 lone 7 86 - 9 - 368/3.0=2, 6577/3.6=2 QD2 LEU 62 - HA ASP 81 lone 6 91 - 6 - QG2 ILE 40 - HA ASP 81 lone 5 61 - 8 - 3.3/5428=3, ~1198=1 QG2 VAL 25 - HA ASP 81 lone 3 65 - 5 - Peak 5123 from cnoeabs.peaks (1.73, 2.75, 40.87 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.87: HD2 LYS 35 + HB2 ASP 32 OK 72 93 - 78 - 5126/1.8=20, 5239/3.0=19...(13) HB ILE 80 + HB2 ASP 32 OK 54 99 - 55 - 5126/1.8=15, 2.1/6518=10...(12) HB2 LEU 53 - HB2 ASP 32 lone 6 99 - 6 - 5126/1.8=2, 5115/3.9=2 HD2 LYS 45 - HB2 ASP 32 lone 4 71 - 6 - 5126/1.8=2, 6.3/1680=2, ~5126=1 HD3 LYS 45 - HB2 ASP 32 lone 4 65 - 6 - 5126/1.8=2, 6.3/1680=2, ~5126=1 HD2 LYS 77 - HB2 ASP 32 lone 2 68 - 2 - Peak 5124 from cnoeabs.peaks (1.46, 2.75, 40.87 ppm; 4.39 A): 2 out of 10 assignments used, quality = 0.93: QB ALA 31 + HB2 ASP 32 OK 88 99 - 89 - 3.5/1680=34, 5099=23...(10) HG12 ILE 80 + HB2 ASP 32 OK 43 100 - 44 - 2.9/5123=9, ~5126=7...(12) HB ILE 51 - HB2 ASP 32 OK 21 100 - 21 - 3.2/5739=4, 111/3.9=4...(9) HG13 ILE 51 - HB2 ASP 32 OK 11 76 - 15 - 2.1/5739=5, 5127/1.8=2...(5) HB2 LYS 41 - HB2 ASP 32 lone 9 95 - 9 - 111/3.9=3, 5163/4.5=2 HG2 LYS 44 - HB2 ASP 32 lone 8 90 - 8 - 111/3.9=2, 4.9/1680=2...(4) QG2 THR 67 - HB2 ASP 32 lone 7 100 - 7 - 5163/4.5=1, 111/3.9=1 HG3 LYS 94 - HB2 ASP 32 lone 5 92 - 5 - HG2 LYS 63 - HB2 ASP 32 lone 4 76 - 5 - HG3 LYS 63 - HB2 ASP 32 lone 4 76 - 5 - Peak 5126 from cnoeabs.peaks (1.72, 2.62, 40.87 ppm; 4.65 A): 2 out of 12 assignments used, quality = 0.83: HD2 LYS 35 + HB3 ASP 32 OK 66 87 - 76 - 5123/1.8=17, 5239/3.0=16...(14) HB ILE 80 + HB3 ASP 32 OK 49 100 - 49 - 5123/1.8=13, ~6518=7...(12) HD2 LYS 45 - HB3 ASP 32 lone 6 81 - 7 - 3.6/5130=1, 3.6/5130=1...(4) HB2 LEU 53 - HB3 ASP 32 lone 6 100 - 6 - 5123/1.8=1, 5115/3.9=1 HD3 LYS 45 - HB3 ASP 32 lone 5 76 - 7 - 3.6/5130=1, 3.6/5130=1 HB ILE 80 - HB3 ASP 12 lone 4 98 - 4 - 4.5/964=1 HD2 LYS 35 - HB3 ASP 12 lone 4 83 - 4 - HD2 LYS 77 - HB3 ASP 32 lone 2 78 - 2 - HD2 LYS 45 - HB3 ASP 12 lone 2 76 - 2 - HD3 LYS 45 - HB3 ASP 12 lone 2 72 - 2 - HB2 LEU 53 - HB3 ASP 12 lone 2 98 - 2 - HD2 LYS 77 - HB3 ASP 12 lone 1 74 - 2 - Peak 5127 from cnoeabs.peaks (1.45, 2.62, 40.87 ppm; 4.72 A): 3 out of 26 assignments used, quality = 0.93: QB ALA 31 + HB3 ASP 32 OK 83 90 - 92 - 3.5/707=34, 5098=27...(11) HG12 ILE 80 + HB3 ASP 32 OK 48 100 - 48 - 2.9/5126=11, 5124/1.8=9...(11) HB ILE 51 + HB3 ASP 32 OK 22 97 - 23 - 5124/1.8=4, ~5739=4...(9) QB ALA 31 - HB3 ASP 12 OK 17 86 - 19 - 5098=5, 3.5/707=5...(5) HG13 ILE 51 - HB3 ASP 32 OK 15 93 - 17 - ~5739=5, ~5124=3...(6) HB2 LYS 41 - HB3 ASP 32 poor 10 78 - 13 - 111/3.9=3, 5124/1.8=2...(4) HG2 LYS 44 - HB3 ASP 32 poor 9 71 - 12 - 4.9/1684=2, 111/3.9=2...(6) QG2 THR 67 - HB3 ASP 32 lone 8 100 - 8 - 5124/1.8=1, 5163/4.5=1 HG2 LYS 63 - HB3 ASP 32 lone 6 93 - 6 - HG3 LYS 63 - HB3 ASP 32 lone 6 93 - 6 - QG2 THR 67 - HB3 ASP 12 lone 5 97 - 5 - 4280/4.6=3 HG3 LYS 94 - HB3 ASP 32 lone 5 99 - 5 - HG12 ILE 80 - HB3 ASP 12 lone 4 97 - 4 - 2.9/5126=1 HD3 LYS 86 - HB3 ASP 32 lone 3 68 - 5 - HB ILE 51 - HB3 ASP 12 lone 3 94 - 3 - HG3 LYS 61 - HB3 ASP 32 lone 3 68 - 4 - 3.9/5133=1 HG2 LYS 61 - HB3 ASP 32 lone 3 65 - 4 - 3.9/5133=1 HB2 LYS 41 - HB3 ASP 12 lone 3 74 - 3 - HG3 LYS 63 - HB3 ASP 12 lone 2 89 - 2 - HG2 LYS 63 - HB3 ASP 12 lone 2 89 - 2 - HG13 ILE 51 - HB3 ASP 12 lone 2 89 - 2 - HG2 LYS 44 - HB3 ASP 12 lone 2 67 - 3 - HG3 LYS 94 - HB3 ASP 12 lone 1 97 - 2 - HD3 LYS 86 - HB3 ASP 12 lone 1 64 - 2 - HG3 LYS 61 - HB3 ASP 12 lone 1 64 - 2 - HG2 LYS 61 - HB3 ASP 12 lone 1 62 - 2 - Peak 5128 from cnoeabs.peaks (0.85, 2.62, 40.87 ppm; 5.32 A): 5 out of 18 assignments used, quality = 0.93: QG2 ILE 80 + HB3 ASP 32 OK 62 100 - 62 - 2.1/5126=15, 7125/3.0=13...(12) QG1 VAL 30 + HB3 ASP 32 OK 43 99 - 43 - 4.2/5138=17, 5071/4.5=12...(7) QG2 VAL 30 + HB3 ASP 32 OK 42 100 - 42 - 4.2/5138=17, 5116/3.9=9...(7) QG2 THR 42 + HB3 ASP 32 OK 27 68 - 40 - 3.2/4420=14, ~4418=12...(6) QD1 ILE 51 + HB3 ASP 32 OK 22 76 - 29 - 5116/3.9=7, 5739/1.8=6...(10) QG2 ILE 37 - HB3 ASP 32 OK 17 100 - 17 - 5164/4.5=4, ~7079=4...(4) QG2 THR 42 - HB3 ASP 12 OK 17 64 - 26 - 3.2/4420=7, ~5501=7...(4) QG2 VAL 30 - HB3 ASP 12 OK 12 98 - 12 - 4.2/5138=4, 5073/4.0=4 QG1 VAL 30 - HB3 ASP 12 OK 10 96 - 11 - 4.2/5138=4, 5074/4.0=2 QD2 LEU 62 - HB3 ASP 32 lone 9 97 - 9 - 5164/4.5=2, 5122/3.0=1 QG2 ILE 80 - HB3 ASP 12 lone 7 97 - 7 - 2.1/5126=1, 4.4/964=1 QG2 ILE 16 - HB3 ASP 32 lone 6 85 - 8 - 5164/4.5=2, 4588/5098=1 QG1 VAL 18 - HB3 ASP 32 lone 5 81 - 6 - 5116/3.9=2, 5164/4.5=1 QG2 ILE 37 - HB3 ASP 12 lone 4 98 - 4 - QD1 ILE 51 - HB3 ASP 12 lone 3 72 - 5 - QD2 LEU 62 - HB3 ASP 12 lone 3 93 - 3 - QG2 ILE 16 - HB3 ASP 12 lone 2 81 - 3 - QG1 VAL 18 - HB3 ASP 12 lone 2 76 - 2 - Peak 5130 from cnoeabs.peaks (1.96, 2.62, 40.87 ppm; 4.99 A): 3 out of 22 assignments used, quality = 0.74: HG3 PRO 73 + HB3 ASP 12 OK 58 88 - 67 - ~4502=28, ~7197=25...(6) HG3 PRO 73 + HB3 ASP 32 OK 28 92 - 31 - 2.3/7198=13, 2.3/5131=7...(6) HB3 GLU 28 + HB3 ASP 32 OK 12 95 - 13 - 5114/3.9=5, ~4439=3...(4) HG3 PRO 74 - HB3 ASP 32 poor 9 85 - 11 - 4.6/4421=5, ~6340=2...(4) HB2 LYS 45 - HB3 ASP 32 lone 9 92 - 9 - 4.0/1684=3, 2257/3.9=2...(4) HB3 LYS 45 - HB3 ASP 32 lone 9 92 - 9 - 4.0/1684=3, 2257/3.9=2...(4) HB3 GLU 28 - HB3 ASP 12 lone 6 91 - 7 - 4101/4.0=4 HB VAL 95 - HB3 ASP 32 lone 6 85 - 7 - ~6886=2, 6880/1.8=2 HG3 PRO 74 - HB3 ASP 12 lone 6 81 - 8 - 4.6/4421=5 HG3 PRO 49 - HB3 ASP 32 lone 5 71 - 6 - 5095/5098=2 HB2 LYS 77 - HB3 ASP 32 lone 4 95 - 4 - HB2 GLU 65 - HB3 ASP 32 lone 4 96 - 4 - HG2 GLN 19 - HB3 ASP 12 lone 3 94 - 3 - 4066/4.0=2 HG2 GLN 19 - HB3 ASP 32 lone 3 97 - 3 - HB VAL 25 - HB3 ASP 32 lone 3 63 - 5 - 5114/3.9=2 HB2 LYS 45 - HB3 ASP 12 lone 3 88 - 3 - HB3 LYS 45 - HB3 ASP 12 lone 3 88 - 3 - HB2 LYS 77 - HB3 ASP 12 lone 2 91 - 2 - HB2 GLU 65 - HB3 ASP 12 lone 2 92 - 2 - HB VAL 95 - HB3 ASP 12 lone 2 81 - 2 - HG3 PRO 49 - HB3 ASP 12 lone 2 67 - 2 - HB VAL 25 - HB3 ASP 12 lone 1 59 - 2 - Peak 5131 from cnoeabs.peaks (2.15, 2.62, 40.87 ppm; 4.71 A): 3 out of 16 assignments used, quality = 0.90: HB3 LYS 35 + HB3 ASP 32 OK 67 97 - 70 - 4442/3.0=13, 3.6/5126=13...(12) HB2 PRO 73 + HB3 ASP 12 OK 58 91 - 64 - ~7197=25, ~4502=23...(6) HB2 PRO 73 + HB3 ASP 32 OK 31 95 - 33 - 1.8/7198=13, 2.3/4421=6...(6) HB3 GLU 58 - HB3 ASP 12 lone 5 97 - 4 - ~4502=2, 3.0/5132=1 HB3 LYS 35 - HB3 ASP 12 lone 4 94 - 4 - HB2 GLU 58 - HB3 ASP 12 lone 4 81 - 4 - ~4502=2, 3.0/5132=1 HG3 PRO 92 - HB3 ASP 32 lone 3 76 - 4 - HB3 PRO 92 - HB3 ASP 32 lone 3 85 - 4 - HB3 GLU 58 - HB3 ASP 32 lone 3 99 - 3 - HB2 GLU 58 - HB3 ASP 32 lone 3 85 - 3 - HG3 GLU 65 - HB3 ASP 32 lone 2 93 - 2 - HG3 GLU 65 - HB3 ASP 12 lone 1 89 - 2 - HB2 PHE 88 - HB3 ASP 32 lone 1 65 - 2 - HB3 PRO 92 - HB3 ASP 12 lone 1 81 - 1 - HG3 PRO 92 - HB3 ASP 12 lone 1 72 - 1 - HB2 PHE 88 - HB3 ASP 12 lone 1 62 - 1 - Peak 5132 from cnoeabs.peaks (2.30, 2.62, 40.87 ppm; 4.50 A): 3 out of 10 assignments used, quality = 0.83: HB3 PRO 73 + HB3 ASP 12 OK 66 97 - 68 - 7197/1.8=30, ~4502=21...(7) HB3 PRO 73 + HB3 ASP 32 OK 37 100 - 37 - 7198=13, 1.8/5131=6...(8) HG3 GLN 36 + HB3 ASP 32 OK 18 100 - 18 - 1906/4.5=7, ~7180=4...(4) HG2 MET 50 - HB3 ASP 12 lone 4 54 - 8 - ~5680=2, ~5681=2, 5685/3.0=2 HG3 GLU 58 - HB3 ASP 12 lone 4 94 - 4 - 4502/1.8=1 HB3 LYS 86 - HB3 ASP 32 lone 4 81 - 5 - HG3 GLN 36 - HB3 ASP 12 lone 3 98 - 3 - HG3 GLU 58 - HB3 ASP 32 lone 3 97 - 3 - HG2 MET 50 - HB3 ASP 32 lone 2 57 - 3 - HB3 LYS 86 - HB3 ASP 12 lone 1 76 - 2 - Peak 5133 from cnoeabs.peaks (3.04, 2.62, 40.87 ppm; 4.66 A): 2 out of 14 assignments used, quality = 0.74: HE2 LYS 35 + HB3 ASP 32 OK 49 83 - 59 - 3.0/5126=14, ~5123=11...(11) HE3 LYS 35 + HB3 ASP 32 OK 49 83 - 59 - 3.0/5126=14, ~5123=11...(11) HE3 LYS 44 - HB3 ASP 32 lone 6 78 - 7 - 5134/3.0=1, ~5134=1 HE2 LYS 44 - HB3 ASP 32 lone 5 76 - 7 - 5134/3.0=1, ~5134=1 HE2 LYS 61 - HB3 ASP 32 lone 5 99 - 5 - 5134/3.0=1 HE2 LYS 41 - HB3 ASP 32 lone 4 97 - 4 - HB2 SER 75 - HB3 ASP 32 lone 3 100 - 3 - HE3 LYS 35 - HB3 ASP 12 lone 2 79 - 3 - HE2 LYS 35 - HB3 ASP 12 lone 2 79 - 3 - HE2 LYS 41 - HB3 ASP 12 lone 2 94 - 2 - HB2 SER 75 - HB3 ASP 12 lone 2 98 - 2 - HE2 LYS 61 - HB3 ASP 12 lone 2 96 - 2 - HE3 LYS 44 - HB3 ASP 12 lone 1 74 - 2 - HE2 LYS 44 - HB3 ASP 12 lone 1 72 - 2 - Peak 5134 from cnoeabs.peaks (3.02, 4.30, 56.98 ppm; 3.64 A): 4 out of 16 assignments used, quality = 0.96: HE3 LYS 35 + HA ASP 32 OK 66 99 - 67 - 3.0/5239=13, 3.0/5240=12...(17) HE2 LYS 35 + HA ASP 32 OK 66 99 - 67 - 3.0/5239=13, 3.0/5240=12...(17) HE3 LYS 35 + HA ASP 81 OK 39 88 - 45 - 3.0/5239=9, 3.0/5240=8...(12) HE2 LYS 35 + HA ASP 81 OK 39 88 - 45 - 3.0/5239=9, 3.0/5240=8...(12) HE3 LYS 44 - HA ASP 32 OK 11 98 - 11 - 7157=1, 1.8/7157=1 HE2 LYS 44 - HA ASP 32 OK 11 97 - 11 - 7157=1, 1.8/7157=1 HE2 LYS 61 - HA ASP 32 lone 8 100 - 8 - HE3 LYS 61 - HA ASP 32 lone 5 73 - 7 - HE2 LYS 61 - HA ASP 81 lone 4 90 - 4 - HE3 LYS 44 - HA ASP 81 lone 3 87 - 4 - HE2 LYS 44 - HA ASP 81 lone 3 86 - 4 - HB2 SER 75 - HA ASP 81 lone 3 86 - 3 - 6351/3.6=2 HE3 LYS 61 - HA ASP 81 lone 2 61 - 4 - HE2 LYS 41 - HA ASP 32 lone 2 76 - 3 - 2118/4.8=1 HB2 SER 75 - HA ASP 32 lone 2 97 - 2 - HE2 LYS 41 - HA ASP 81 lone 1 63 - 1 - Peak 5137 from cnoeabs.peaks (8.71, 2.75, 40.87 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.87: H ALA 31 + HB2 ASP 32 OK 83 100 - 84 - 4.6/1680=31, 2.9/5099=19...(14) H ILE 40 + HB2 ASP 32 OK 23 100 - 23 - 109/3.9=8, 1156/4.5=6...(5) H GLN 19 - HB2 ASP 32 lone 8 92 - 9 - 109/3.9=2, 1156/4.5=2 Peak 5138 from cnoeabs.peaks (8.69, 2.62, 40.87 ppm; 5.24 A): 4 out of 6 assignments used, quality = 0.88: H ALA 31 + HB3 ASP 32 OK 80 93 - 86 - 4.6/707=31, 2.9/5098=26...(13) H ILE 40 + HB3 ASP 32 OK 20 81 - 25 - 109/3.9=8, 1156/4.5=6...(4) H ALA 31 + HB3 ASP 12 OK 18 89 - 19 - 2.9/5098=5, 4.6/707=5...(6) H LYS 41 + HB3 ASP 32 OK 10 95 - 11 - 768/5098=2, 109/3.9=2...(4) H ILE 40 - HB3 ASP 12 lone 4 76 - 5 - H LYS 41 - HB3 ASP 12 lone 3 91 - 4 - Peak 5140 from cnoeabs.peaks (6.95, 4.20, 60.73 ppm; 4.74 A): 3 out of 5 assignments used, quality = 0.95: QE PHE 88 + HA TYR 33 OK 79 100 - 80 - 4745/3.0=28, 4811/3.7=23...(11) HZ PHE 83 + HA TYR 33 OK 52 99 - 52 - 4841/5.7=14, 5142/3.0=11...(12) HZ PHE 88 + HA TYR 33 OK 51 68 - 75 - ~4745=18, ~6702=14...(13) QE PHE 70 - HA TYR 33 OK 32 93 - 34 - 4745/3.0=7, 7129/3.7=7...(7) HE22 GLN 48 - HA TYR 33 poor 9 71 - 13 - 3.5/5166=3, 5139/3.0=1...(5) Peak 5141 from cnoeabs.peaks (7.43, 3.09, 39.80 ppm; 4.57 A): 1 out of 3 assignments used, quality = 0.95: QD PHE 34 + HB2 TYR 33 OK 95 100 - 95 - 4794/1.8=44, 4820/2.5=39...(17) H THR 46 - HB2 TYR 33 OK 27 100 - 27 - 4657/2.5=9, 5146/1.8=8...(6) H ALA 76 - HB2 TYR 33 OK 18 89 - 21 - 5146/1.8=5, 723/4.3=4...(5) Peak 5142 from cnoeabs.peaks (6.95, 3.09, 39.80 ppm; 4.04 A): 3 out of 4 assignments used, quality = 0.95: QE PHE 88 + HB2 TYR 33 OK 86 100 - 86 - 4745/1.8=28, 4811/2.5=22...(17) HZ PHE 83 + HB2 TYR 33 OK 48 100 - 48 - 4841/4.4=14, 4659/2.5=7...(12) QE PHE 70 + HB2 TYR 33 OK 27 87 - 31 - 4745/1.8=7, 4811/2.5=6...(9) HE22 GLN 48 - HB2 TYR 33 lone 5 60 - 7 - 5140/3.0=1 Peak 5143 from cnoeabs.peaks (8.33, 3.09, 39.80 ppm; 4.93 A): 5 out of 5 assignments used, quality = 0.92: H LYS 35 + HB2 TYR 33 OK 62 95 - 66 - 4.6/118=28, 4.3/5141=19...(6) H ASP 32 + HB2 TYR 33 OK 51 83 - 61 - 4.6/710=29, 3.9/5168=17...(7) H GLY 64 + HB2 TYR 33 OK 46 100 - 46 - 5144/1.8=11, 3.0/4426=8...(9) H LYS 45 + HB2 TYR 33 OK 12 83 - 14 - 4.6/5141=5, 5144/1.8=3...(4) H LYS 94 + HB2 TYR 33 OK 11 78 - 15 - 1086/4.3=5, 4444/3.0=3...(4) Peak 5144 from cnoeabs.peaks (8.33, 2.82, 39.80 ppm; 4.93 A): 5 out of 5 assignments used, quality = 0.94: H LYS 35 + HB3 TYR 33 OK 69 95 - 73 - 4.6/119=32, 4.3/4794=31...(6) H GLY 64 + HB3 TYR 33 OK 52 100 - 52 - 5143/1.8=10, 3.0/4428=9...(12) H ASP 32 + HB3 TYR 33 OK 47 83 - 57 - 4.6/711=33, 5143/1.8=11...(6) H LYS 94 + HB3 TYR 33 OK 13 78 - 16 - 1086/4.3=5, 4444/3.0=3...(4) H LYS 45 + HB3 TYR 33 OK 13 83 - 15 - 4.6/5146=5, 5143/1.8=3...(5) Peak 5145 from cnoeabs.peaks (6.96, 2.82, 39.80 ppm; 3.98 A): 3 out of 7 assignments used, quality = 0.96: QE PHE 88 + HB3 TYR 33 OK 75 90 - 83 - 4745=28, ~6701=19...(16) HZ PHE 88 + HB3 TYR 33 OK 71 92 - 77 - 2.2/4745=24, ~4811=13...(18) HZ PHE 83 + HB3 TYR 33 OK 40 89 - 46 - 4841/4.4=12, 5142/1.8=9...(12) QE PHE 83 - HB3 TYR 33 OK 39 85 - 46 - 4817/4.4=8, 2.2/1704=7...(13) QE PHE 70 - HB3 TYR 33 OK 33 100 - 33 - 4745=7, 7129/2.5=5...(9) HE22 GLN 48 - HB3 TYR 33 lone 8 93 - 8 - HD21 ASN 52 - HB3 TYR 33 lone 3 81 - 3 - Peak 5146 from cnoeabs.peaks (7.42, 2.82, 39.80 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.94: QD PHE 34 + HB3 TYR 33 OK 94 99 - 95 - 4794=46, 4820/2.5=35...(19) H THR 46 - HB3 TYR 33 OK 26 100 - 25 - 4657/2.5=8, 5141/1.8=7...(6) H ALA 76 - HB3 TYR 33 OK 17 78 - 22 - 5141/1.8=5, 723/4.3=4...(7) Peak 5147 from cnoeabs.peaks (6.96, 5.84, 132.43 ppm; 5.48 A): 5 out of 7 assignments used, quality = 1.00: QE PHE 88 + QD TYR 33 OK 93 97 - 95 - 2.2/6701=49, 7129=36...(18) HZ PHE 83 + QD TYR 33 OK 78 97 - 81 - 4841/2.2=30, ~4817=18...(16) HZ PHE 88 + QD TYR 33 OK 77 81 - 95 - 3.8/6701=40, 2.2/4811=31...(21) QE PHE 83 + QD TYR 33 OK 63 71 - 88 - ~4841=25, ~4732=21...(20) QE PHE 70 + QD TYR 33 OK 55 98 - 56 - 7129=14, 6702/2.5=9...(13) HE22 GLN 48 - QD TYR 33 OK 13 83 - 15 - 5140/3.7=2, 5145/2.5=1...(6) HD21 ASN 52 - QD TYR 33 lone 5 65 - 7 - 5171/4.6=2 Peak 5148 from cnoeabs.peaks (6.88, 5.84, 132.43 ppm; 5.53 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 34 + QD TYR 33 OK 99 100 - 100 - 4815=50, 2.2/4820=49...(23) HZ PHE 34 + QD TYR 33 OK 91 95 - 96 - 2.2/4815=48, 3.8/4820=41...(17) QE TYR 54 - QD TYR 33 poor 7 60 - 11 - 5181/4.6=4, 7179/2.5=3 Peak 5149 from cnoeabs.peaks (7.43, 6.22, 118.89 ppm; 5.34 A): 2 out of 3 assignments used, quality = 0.97: QD PHE 34 + QE TYR 33 OK 95 97 - 98 - 4820/2.2=48, 4794/4.4=35...(21) H THR 46 + QE TYR 33 OK 36 94 - 38 - 2.9/4666=14, 5152/2.2=11...(6) H ALA 76 - QE TYR 33 OK 20 89 - 22 - 5152/2.2=6, 5141/4.4=4...(7) Peak 5150 from cnoeabs.peaks (6.97, 6.22, 118.89 ppm; 4.47 A): 4 out of 8 assignments used, quality = 0.98: QE PHE 83 + QE TYR 33 OK 65 85 - 77 - 2.2/4841=27, 2.2/5158=22...(13) QE PHE 88 + QE TYR 33 OK 64 79 - 82 - ~6701=26, ~4814=24...(18) HZ PHE 88 + QE TYR 33 OK 59 90 - 65 - ~4811=18, ~7129=14...(16) HZ PHE 83 + QE TYR 33 OK 55 77 - 71 - 4841=24, 3.8/5158=16...(14) QE PHE 70 - QE TYR 33 OK 27 97 - 28 - 7129/2.2=7, 6702/4.4=4...(7) HE22 GLN 48 - QE TYR 33 lone 8 91 - 8 - 1.7/5158=1, 4659/2.2=1 HD21 ASN 52 - QE TYR 33 lone 3 81 - 4 - HD21 ASN 24 - QE TYR 33 lone 1 60 - 2 - Peak 5151 from cnoeabs.peaks (6.88, 6.22, 118.89 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.97: QE PHE 34 + QE TYR 33 OK 89 97 - 92 - 4815/2.2=33, 4847=30...(26) HZ PHE 34 + QE TYR 33 OK 73 89 - 82 - 2.2/4847=22, ~4815=21...(21) QE TYR 54 - QE TYR 33 lone 2 55 - 4 - 7179/4.4=1 Peak 5152 from cnoeabs.peaks (7.43, 5.84, 132.43 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.99: QD PHE 34 + QD TYR 33 OK 99 100 - 100 - 4820=50, 2.2/4815=46...(24) H THR 46 - QD TYR 33 OK 44 100 - 44 - ~4666=10, ~5155=9...(8) H ALA 76 - QD TYR 33 OK 24 89 - 27 - 5146/2.5=6, 5141/2.5=6...(7) Peak 5153 from cnoeabs.peaks (7.63, 4.20, 60.73 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.72: HE22 GLN 36 + HA TYR 33 OK 72 100 - 72 - 7173/3.7=25, 3.5/5166=23...(9) H GLN 48 - HA TYR 33 lone 4 78 - 5 - 5.0/5166=2 H TYR 54 - HA TYR 33 lone 2 99 - 2 - HD21 ASN 43 - HA TYR 33 lone 1 90 - 2 - HD22 ASN 24 - HA TYR 33 lone 1 100 - 1 - Peak 5155 from cnoeabs.peaks (4.48, 6.22, 118.89 ppm; 4.28 A): 0 out of 4 assignments used, low quality = 0.40: HA PHE 88 - QE TYR 33 OK 27 97 - 28 - 3.0/4672=13, 5.6/4662=6...(6) HA THR 46 - QE TYR 33 OK 17 93 - 18 - 2.9/4663=7, ~4657=5...(4) HA LYS 86 - QE TYR 33 lone 4 83 - 5 - 6817/5161=2, 6823/6821=1 HA ASP 84 - QE TYR 33 lone 4 75 - 6 - 6635/6915=3 Peak 5156 from cnoeabs.peaks (3.47, 6.22, 118.89 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.69: HB3 PHE 83 + QE TYR 33 OK 65 93 - 71 - 2.4/5158=22, 1.8/6598=19...(11) HB2 SER 89 + QE TYR 33 OK 11 65 - 16 - 6728=7, 1.8/6733=5, 6729/4662=2 HD3 PRO 74 - QE TYR 33 lone 6 97 - 6 - 6838/5161=1, ~4670=1, 6334/4.4=1 HB2 ASN 14 - QE TYR 33 lone 3 81 - 4 - Peak 5157 from cnoeabs.peaks (3.43, 6.22, 118.89 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.95: HB2 PHE 34 + QE TYR 33 OK 74 88 - 84 - ~4820=27, ~5184=22...(12) HB2 PHE 83 + QE TYR 33 OK 71 97 - 73 - 6598=23, 2.4/5158=23...(12) HA ILE 80 + QE TYR 33 OK 16 89 - 18 - 4491/6595=5, 6500/6915=3...(7) HB2 SER 89 + QE TYR 33 OK 15 77 - 19 - 6728=8, 1.8/6733=5, 6729/4662=2 HB2 PHE 70 - QE TYR 33 lone 7 95 - 7 - 4.4/4662=3 Peak 5158 from cnoeabs.peaks (7.56, 6.22, 118.89 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.84: QD PHE 83 + QE TYR 33 OK 71 97 - 73 - 2.4/5156=22, 4732=20...(15) H TYR 33 + QE TYR 33 OK 45 57 - 78 - 6.5=25, 715/2.2=20...(12) H ILE 80 - QE TYR 33 poor 9 88 - 10 - 3.0/5157=2, 6807/5161=2...(4) HE21 GLN 48 - QE TYR 33 lone 3 68 - 4 - Peak 5159 from cnoeabs.peaks (2.17, 6.22, 118.89 ppm; 4.85 A): 2 out of 10 assignments used, quality = 0.83: HB2 PHE 88 + QE TYR 33 OK 68 96 - 70 - ~6701=28, ~4814=27...(9) HB VAL 30 + QE TYR 33 OK 49 77 - 64 - ~5056=22, 3.0/5057=17...(9) HB3 PRO 92 - QE TYR 33 lone 5 97 - 5 - 6842/5161=2, 6833/5162=1 HB2 PRO 73 - QE TYR 33 lone 5 93 - 5 - 3.8/5156=2 HG3 PRO 92 - QE TYR 33 lone 4 97 - 4 - 6842/5161=1 HG3 GLU 87 - QE TYR 33 lone 4 65 - 6 - 6688/4666=2 HB3 GLN 48 - QE TYR 33 lone 3 70 - 4 - HB3 LYS 35 - QE TYR 33 lone 3 90 - 3 - HG2 GLU 65 - QE TYR 33 lone 2 77 - 3 - HB3 GLU 58 - QE TYR 33 lone 1 85 - 2 - Peak 5160 from cnoeabs.peaks (1.10, 6.22, 118.89 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.82: QG2 VAL 95 + QE TYR 33 OK 59 97 - 61 - 6915=25, 6884/5156=9...(15) HG LEU 21 + QE TYR 33 OK 49 97 - 51 - 2.1/4778=16, 4.3/4780=10...(11) QG2 THR 46 + QE TYR 33 OK 13 52 - 24 - 3.2/4666=14, 4.0/4663=9 QG2 THR 99 - QE TYR 33 lone 4 79 - 5 - Peak 5161 from cnoeabs.peaks (0.79, 6.22, 118.89 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.70: QD1 ILE 93 + QE TYR 33 OK 60 97 - 62 - 6813=22, 6814/2.2=20...(16) QG1 VAL 25 + QE TYR 33 OK 24 95 - 25 - 4890=5, 4855/2.2=5...(9) QD1 LEU 53 - QE TYR 33 lone 8 85 - 9 - 4855/2.2=3 Peak 5162 from cnoeabs.peaks (0.70, 6.22, 118.89 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.68: QG2 ILE 93 + QE TYR 33 OK 63 83 - 76 - 3.1/5161=29, ~6814=23...(17) QG2 ILE 51 + QE TYR 33 OK 15 88 - 17 - 3840/5161=2, 6714/4672=2...(9) Peak 5165 from cnoeabs.peaks (2.62, 4.20, 60.73 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.68: HB3 ASP 32 + HA TYR 33 OK 64 100 - 64 - 115/3.0=30, ~4114=22...(4) HB3 ASP 12 + HA TYR 33 OK 12 100 - 12 - 115/3.0=7, 5168/3.0=4 HB3 ASP 81 - HA TYR 33 lone 8 97 - 8 - 5168/3.0=4, 115/3.0=3 HB3 ASN 52 - HA TYR 33 lone 5 68 - 7 - 4.0/4444=2, 5168/3.0=1 HB2 ASN 52 - HA TYR 33 lone 4 60 - 6 - 4.0/4444=2, 5168/3.0=1, ~5168=1 Peak 5166 from cnoeabs.peaks (2.41, 4.20, 60.73 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.75: HG2 GLN 36 + HA TYR 33 OK 75 99 - 76 - 3.5/5153=31, 1.8/5251=17...(11) HG3 GLN 48 - HA TYR 33 lone 7 100 - 7 - 3.5/5140=1, 5.0/5153=1 Peak 5168 from cnoeabs.peaks (2.62, 3.09, 39.80 ppm; 5.06 A): 3 out of 6 assignments used, quality = 0.68: HB3 ASP 32 + HB2 TYR 33 OK 58 100 - 58 - 4.5/710=31, 5165/3.0=25...(4) HB3 ASP 81 + HB2 TYR 33 OK 13 93 - 14 - 5165/3.0=3, 4.0/6547=2...(5) HB3 ASP 12 + HB2 TYR 33 OK 13 99 - 13 - 115/4.0=6, 5165/3.0=5 HB3 ASN 52 - HB2 TYR 33 lone 4 78 - 5 - 5165/3.0=2, ~5165=1 HB2 ASN 52 - HB2 TYR 33 lone 4 71 - 5 - 5165/3.0=2, ~5165=1 HB2 ASP 71 - HB2 TYR 33 lone 1 57 - 2 - Peak 5169 from cnoeabs.peaks (0.83, 3.09, 39.80 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.97: QG1 VAL 30 + HB2 TYR 33 OK 84 99 - 85 - 3.2/4425=24, ~4427=23...(14) QG2 VAL 30 + HB2 TYR 33 OK 80 96 - 84 - 3.2/4425=24, ~4427=23...(15) QG2 ILE 37 - HB2 TYR 33 OK 33 93 - 35 - 3.3/5277=5, 3.2/5281=5...(12) QG2 VAL 25 - HB2 TYR 33 OK 21 89 - 23 - ~4855=6, 4654/2.5=5...(7) QG2 ILE 80 - HB2 TYR 33 OK 19 98 - 20 - 5164/4.0=3, 5192/4.3=3...(7) QD2 LEU 62 - HB2 TYR 33 OK 17 100 - 17 - 4258/4.3=4, 5170/1.8=2...(4) QG2 ILE 16 - HB2 TYR 33 OK 14 100 - 14 - 4654/2.5=2, 5170/1.8=2...(5) QG2 ILE 40 - HB2 TYR 33 OK 11 85 - 14 - ~4855=3, ~5446=3...(5) Peak 5170 from cnoeabs.peaks (0.84, 2.82, 39.80 ppm; 4.42 A): 2 out of 10 assignments used, quality = 0.97: QG1 VAL 30 + HB3 TYR 33 OK 84 100 - 84 - 3.2/4427=31, ~5056=16...(16) QG2 VAL 30 + HB3 TYR 33 OK 84 100 - 84 - 3.2/4427=31, ~5056=16...(17) QG2 ILE 37 - HB3 TYR 33 OK 32 100 - 32 - 5169/1.8=4, ~5281=3...(11) QG2 ILE 80 - HB3 TYR 33 OK 18 100 - 17 - 5164/4.0=3, 5192/4.3=3...(6) QG2 VAL 25 - HB3 TYR 33 OK 17 68 - 26 - ~4855=5, 4654/2.5=4...(8) QD2 LEU 62 - HB3 TYR 33 OK 16 99 - 16 - 4258/4.3=4, 5169/1.8=2...(5) QG2 ILE 16 - HB3 TYR 33 OK 15 93 - 16 - 4682/4794=3, 4654/2.5=2...(6) QG1 VAL 18 - HB3 TYR 33 poor 10 68 - 14 - 4696/4.4=5, 5192/4.3=2...(5) QG2 ILE 40 - HB3 TYR 33 poor 8 63 - 14 - ~4855=3, 4682/4794=2...(5) QD1 ILE 51 - HB3 TYR 33 poor 8 63 - 13 - 5712/4794=4, 5192/4.3=3...(4) Peak 5172 from cnoeabs.peaks (6.98, 4.33, 61.55 ppm; 3.61 A): 3 out of 7 assignments used, quality = 0.82: QE PHE 70 + HA PHE 34 OK 58 93 - 62 - 2.2/5182=16, ~5173=11...(14) QE PHE 83 + HA PHE 34 OK 47 100 - 47 - 2.2/4804=16, 2.2/7155=13...(12) HZ PHE 88 + HA PHE 34 OK 18 100 - 18 - 4865/3.0=4, 5176/3.7=3...(7) HD21 ASN 52 - HA PHE 34 lone 6 100 - 5 - 515/3.5=1, 5171/3.0=1 HE22 GLN 48 - HA PHE 34 lone 5 100 - 5 - HD21 ASN 24 - HA PHE 34 lone 2 95 - 2 - HE22 GLN 19 - HA PHE 34 lone 0 65 - 1 - Peak 5173 from cnoeabs.peaks (6.82, 3.41, 39.73 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.88: HZ PHE 70 + HB2 PHE 34 OK 85 100 - 85 - 4856/2.4=32, 4773=26...(16) H VAL 25 + HB2 PHE 34 OK 18 85 - 21 - 5175/1.8=7, 5182/3.0=5...(5) QE TYR 54 - HB2 PHE 34 lone 6 71 - 8 - 5175/1.8=2, 5182/3.0=2...(4) Peak 5174 from cnoeabs.peaks (6.97, 2.77, 39.73 ppm; 4.36 A): 2 out of 8 assignments used, quality = 0.96: QE PHE 70 + HB3 PHE 34 OK 90 100 - 90 - 2.2/5175=29, ~4856=23...(16) QE PHE 83 + HB3 PHE 34 OK 61 90 - 68 - ~4804=13, ~4676=12...(15) HZ PHE 83 - HB3 PHE 34 OK 43 83 - 53 - 4804/3.0=16, ~5172=8...(13) QE PHE 88 - HB3 PHE 34 OK 37 85 - 44 - 2.2/4860=9, ~4819=9...(13) HZ PHE 88 - HB3 PHE 34 OK 32 96 - 34 - 3.8/4860=6, 4865/4.1=5...(10) HD21 ASN 52 - HB3 PHE 34 lone 8 87 - 9 - 515/4.2=2, 5172/3.0=1...(5) HE22 GLN 48 - HB3 PHE 34 lone 7 97 - 7 - 5176/2.4=1, 5172/3.0=1 HD21 ASN 24 - HB3 PHE 34 lone 2 65 - 3 - Peak 5175 from cnoeabs.peaks (6.83, 2.77, 39.73 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.91: HZ PHE 70 + HB3 PHE 34 OK 88 100 - 88 - 4856/2.4=33, 5173/1.8=31...(17) H VAL 25 + HB3 PHE 34 OK 23 93 - 24 - 5173/1.8=7, 5182/3.0=6...(7) QE TYR 54 - HB3 PHE 34 lone 8 83 - 10 - 5182/3.0=2, 5173/1.8=2...(4) Peak 5176 from cnoeabs.peaks (6.98, 7.43, 131.99 ppm; 4.58 A): 3 out of 8 assignments used, quality = 0.99: QE PHE 70 + QD PHE 34 OK 92 97 - 94 - 2.2/4856=41, ~4846=31...(25) QE PHE 83 + QD PHE 34 OK 79 98 - 81 - 2.2/4676=22, ~4731=15...(27) HZ PHE 88 + QD PHE 34 OK 49 99 - 50 - 3.8/4819=11, 4850/5060=7...(20) QE PHE 88 - QD PHE 34 OK 39 62 - 63 - 2.2/4819=15, ~4847=10...(24) HZ PHE 83 - QD PHE 34 OK 33 59 - 57 - 3.8/4676=17, 2.2/4812=10...(20) HE22 GLN 48 - QD PHE 34 OK 14 100 - 14 - 6.9/5586=2, 5172/3.7=1 HD21 ASN 52 - QD PHE 34 OK 12 97 - 12 - 515/4.3=2, 5172/3.7=1...(6) HD21 ASN 24 - QD PHE 34 lone 3 86 - 4 - Peak 5177 from cnoeabs.peaks (7.54, 6.88, 130.24 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.95: QD PHE 83 + QE PHE 34 OK 85 95 - 90 - 4731=24, 2.4/5212=23...(23) H TYR 33 + QE PHE 34 OK 69 92 - 75 - 4.5/4815=27, 4676/2.2=25...(11) H ILE 80 - QE PHE 34 OK 28 65 - 43 - 4.6/4692=10, 5178/2.2=7...(12) Peak 5178 from cnoeabs.peaks (7.55, 7.43, 131.99 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.94: QD PHE 83 + QD PHE 34 OK 81 97 - 84 - 4813=24, 4731/2.2=20...(28) H TYR 33 + QD PHE 34 OK 69 84 - 82 - 4.0/4794=27, 4.5/4820=23...(14) H ILE 80 - QD PHE 34 OK 32 75 - 43 - 3.7/6463=13, 3.6/6466=10...(10) Peak 5179 from cnoeabs.peaks (7.82, 4.33, 61.55 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.62: H ILE 37 + HA PHE 34 OK 58 100 - 58 - 5292=29, 5242/3.5=24...(7) H THR 99 + HA PHE 34 OK 10 100 - 10 - 5242/3.5=6, 1088/7156=1 Peak 5182 from cnoeabs.peaks (6.83, 4.33, 61.55 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.82: HZ PHE 70 + HA PHE 34 OK 77 98 - 78 - 5173/3.0=28, 4856/3.7=27...(10) H VAL 25 + HA PHE 34 OK 24 97 - 25 - 5175/3.0=7, 5173/3.0=6...(6) QE TYR 54 - HA PHE 34 lone 9 90 - 10 - 5181/3.0=3, 5175/3.0=2 Peak 5184 from cnoeabs.peaks (5.85, 4.33, 61.55 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.89: QD TYR 33 + HA PHE 34 OK 89 99 - 90 - 123/3.0=36, 4820/3.7=29...(13) Peak 5185 from cnoeabs.peaks (5.85, 7.43, 131.99 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 33 + QD PHE 34 OK 99 99 - 99 - 4815/2.2=47, 2.5/4794=45...(24) Peak 5186 from cnoeabs.peaks (6.21, 6.88, 130.24 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 33 + QE PHE 34 OK 92 93 - 98 - 2.2/4815=47, ~4820=36...(27) QD PHE 88 + QE PHE 34 OK 76 97 - 78 - 4819/2.2=19, 4823/2.2=18...(22) Peak 5187 from cnoeabs.peaks (5.83, 6.88, 130.24 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.91: QD TYR 33 + QE PHE 34 OK 91 92 - 99 - 4820/2.2=45, ~4794=34...(24) Peak 5194 from cnoeabs.peaks (0.84, 4.33, 61.55 ppm; 4.08 A): 4 out of 10 assignments used, quality = 0.94: QG1 VAL 30 + HA PHE 34 OK 60 100 - 60 - 5070/3.7=17, 5068/5.6=7...(16) QG2 VAL 30 + HA PHE 34 OK 56 100 - 56 - 5066/3.7=11, 1660/3.0=8...(17) QG2 ILE 37 + HA PHE 34 OK 48 100 - 48 - 4.0/5179=17, 5302/3.7=7...(15) QG2 ILE 80 + HA PHE 34 OK 41 100 - 40 - 6518/3.0=8, 7125=8...(11) QG2 ILE 16 - HA PHE 34 OK 34 93 - 37 - 4682/3.7=5, 7203/7.2=4...(13) QG2 ILE 40 - HA PHE 34 OK 34 63 - 54 - 3.3/5195=14, ~5193=9...(13) QD2 LEU 62 - HA PHE 34 OK 26 99 - 26 - 4258/3.0=5, 5967/3.5=4...(10) QG2 VAL 25 - HA PHE 34 OK 17 68 - 25 - 3.9/5182=5, 5070/3.7=4...(9) QD1 ILE 51 - HA PHE 34 OK 16 63 - 26 - 5712/3.7=7, 5739/3.0=5...(7) QG1 VAL 18 - HA PHE 34 OK 14 68 - 20 - 4690/5.6=5, 4690/7.2=3...(7) Peak 5195 from cnoeabs.peaks (0.75, 4.33, 61.55 ppm; 4.59 A): 3 out of 3 assignments used, quality = 0.93: QD1 ILE 40 + HA PHE 34 OK 86 100 - 86 - 5193/3.0=28, 5202/3.0=25...(18) QD1 LEU 53 + HA PHE 34 OK 33 83 - 39 - 5193/3.0=11, 5226/3.5=8...(9) QG2 ILE 93 + HA PHE 34 OK 30 63 - 48 - 4683/3.7=9, 5199/3.0=8...(12) Peak 5197 from cnoeabs.peaks (1.66, 3.41, 39.73 ppm; 5.07 A): 4 out of 18 assignments used, quality = 0.99: HG12 ILE 40 + HB2 PHE 34 OK 82 90 - 91 - ~5202=25, 2.1/5199=23...(23) QB ALA 79 + HB2 PHE 34 OK 64 96 - 67 - 6463/2.4=19, ~6466=11...(16) HB ILE 40 + HB2 PHE 34 OK 57 68 - 84 - 3.2/5199=20, ~5202=19...(20) HB VAL 18 + HB2 PHE 34 OK 49 85 - 57 - ~4692=19, 4681/2.4=14...(14) HG12 ILE 27 - HB2 PHE 34 OK 18 100 - 17 - 4681/2.4=3, 4686/4.4=3...(5) HB2 MET 50 - HB2 PHE 34 OK 14 99 - 14 - 4681/2.4=3, 6138/5220=2...(5) HD3 LYS 35 - HB2 PHE 34 poor 9 60 - 14 - 1844/4.2=8, 5240/3.0=2...(4) HD2 LYS 94 - HB2 PHE 34 lone 8 81 - 9 - 731/4.2=1 HD3 LYS 94 - HB2 PHE 34 lone 8 81 - 9 - 731/4.2=1 HB3 LYS 61 - HB2 PHE 34 lone 7 100 - 6 - HG3 GLN 19 - HB2 PHE 34 lone 6 98 - 6 - HD3 LYS 63 - HB2 PHE 34 lone 5 71 - 7 - 5.9/1744=1 HD3 LYS 61 - HB2 PHE 34 lone 4 71 - 6 - HD2 LYS 61 - HB2 PHE 34 lone 4 71 - 6 - HD2 LYS 44 - HB2 PHE 34 lone 4 71 - 5 - HD3 LYS 44 - HB2 PHE 34 lone 4 68 - 5 - HG3 ARG 57 - HB2 PHE 34 lone 3 73 - 4 - HG2 ARG 57 - HB2 PHE 34 lone 2 68 - 3 - Peak 5198 from cnoeabs.peaks (0.84, 3.41, 39.73 ppm; 4.24 A): 6 out of 10 assignments used, quality = 1.00: QG1 VAL 30 + HB2 PHE 34 OK 77 100 - 77 - 5070/2.4=24, 5068/4.4=12...(21) QG2 VAL 30 + HB2 PHE 34 OK 75 100 - 75 - ~5070=15, 5066/2.4=14...(21) QG2 ILE 16 + HB2 PHE 34 OK 54 93 - 58 - ~4635=9, 7203/5.8=8...(16) QG2 ILE 37 + HB2 PHE 34 OK 52 100 - 52 - 5302/2.4=10, 7203/5.8=8...(13) QG2 ILE 80 + HB2 PHE 34 OK 47 100 - 47 - 6518/1.8=11, 3367=8...(10) QG2 ILE 40 + HB2 PHE 34 OK 46 63 - 74 - 3.3/5199=15, ~5202=14...(20) QG1 VAL 18 - HB2 PHE 34 OK 31 68 - 46 - ~4692=13, 4690/4.4=9...(11) QD1 ILE 51 - HB2 PHE 34 OK 26 63 - 41 - 5712/2.4=10, 5761/5220=7...(12) QD2 LEU 62 - HB2 PHE 34 OK 22 99 - 22 - 5967/4.2=4, 4258/4.1=4...(7) QG2 VAL 25 - HB2 PHE 34 OK 18 68 - 26 - 5070/2.4=6, 3.9/5173=5...(9) Peak 5199 from cnoeabs.peaks (0.74, 3.41, 39.73 ppm; 4.04 A): 4 out of 4 assignments used, quality = 0.94: QD1 ILE 40 + HB2 PHE 34 OK 83 98 - 85 - 5202/1.8=26, 5402/2.4=23...(20) QG2 ILE 93 + HB2 PHE 34 OK 41 85 - 48 - 4683/2.4=10, 3.1/6839=9...(12) QG2 ILE 51 + HB2 PHE 34 OK 27 78 - 34 - ~5712=8, 5754/5220=7...(9) QD1 LEU 53 + HB2 PHE 34 OK 19 60 - 31 - 5202/1.8=7, 5193/4.1=7...(6) Peak 5200 from cnoeabs.peaks (1.66, 2.77, 39.73 ppm; 5.09 A): 4 out of 18 assignments used, quality = 0.98: HG12 ILE 40 + HB3 PHE 34 OK 82 90 - 91 - 2.1/5202=31, ~5402=23...(25) QB ALA 79 + HB3 PHE 34 OK 62 96 - 65 - 6463/2.4=19...(17) HB ILE 40 + HB3 PHE 34 OK 58 68 - 84 - 3.2/5202=27, ~5402=18...(21) HB VAL 18 + HB3 PHE 34 OK 48 85 - 56 - ~4692=20, 4681/2.4=14...(12) HG12 ILE 27 - HB3 PHE 34 OK 19 100 - 18 - 4681/2.4=3, 4686/4.4=3...(6) HB2 MET 50 - HB3 PHE 34 OK 15 99 - 15 - 4681/2.4=3, 6138/5218=2...(5) HD3 LYS 35 - HB3 PHE 34 OK 12 60 - 21 - 6.3/127=14, 5240/3.0=2...(4) HD2 LYS 94 - HB3 PHE 34 lone 8 81 - 10 - 731/4.2=1 HD3 LYS 94 - HB3 PHE 34 lone 8 81 - 10 - 731/4.2=1 HB3 LYS 61 - HB3 PHE 34 lone 7 100 - 6 - HG3 GLN 19 - HB3 PHE 34 lone 6 98 - 7 - HD3 LYS 63 - HB3 PHE 34 lone 5 71 - 7 - 5.9/1752=2 HD3 LYS 61 - HB3 PHE 34 lone 4 71 - 6 - HD2 LYS 61 - HB3 PHE 34 lone 4 71 - 6 - HD2 LYS 44 - HB3 PHE 34 lone 4 71 - 5 - HD3 LYS 44 - HB3 PHE 34 lone 4 68 - 5 - HG3 ARG 57 - HB3 PHE 34 lone 3 73 - 4 - HG2 ARG 57 - HB3 PHE 34 lone 2 68 - 3 - Peak 5201 from cnoeabs.peaks (0.84, 2.77, 39.73 ppm; 4.13 A): 6 out of 8 assignments used, quality = 1.00: QG1 VAL 30 + HB3 PHE 34 OK 78 100 - 78 - 5070/2.4=23, 5068/4.4=11...(22) QG2 VAL 30 + HB3 PHE 34 OK 74 99 - 75 - ~5070=14, 5066/2.4=13...(21) QG2 ILE 16 + HB3 PHE 34 OK 55 97 - 56 - ~4635=9, 7203/5.8=7...(16) QG2 ILE 40 + HB3 PHE 34 OK 54 73 - 73 - 3.3/5202=20, ~5402=11...(21) QG2 ILE 80 + HB3 PHE 34 OK 48 100 - 48 - 6518=14, 3367/1.8=8...(11) QG2 ILE 37 + HB3 PHE 34 OK 46 98 - 47 - 5302/2.4=9, 7203/5.8=7...(12) QD2 LEU 62 - HB3 PHE 34 OK 23 100 - 23 - 5967/4.2=4, 4258/4.1=4...(8) QG2 VAL 25 - HB3 PHE 34 OK 20 78 - 26 - 5070/2.4=6, 3.9/5175=5...(10) Peak 5202 from cnoeabs.peaks (0.75, 2.77, 39.73 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.88: QD1 ILE 40 + HB3 PHE 34 OK 80 100 - 80 - 5402/2.4=19, 5446=18...(24) QG2 ILE 93 + HB3 PHE 34 OK 23 63 - 37 - 4683/2.4=8, 5199/1.8=7...(9) QD1 LEU 53 + HB3 PHE 34 OK 23 83 - 27 - 5193/4.1=6, 5226/4.2=5...(8) Peak 5203 from cnoeabs.peaks (1.66, 7.43, 131.99 ppm; 4.68 A): 4 out of 18 assignments used, quality = 0.99: QB ALA 79 + QD PHE 34 OK 74 98 - 76 - 6463=21, 2.1/6466=14...(24) HG12 ILE 40 + QD PHE 34 OK 67 81 - 83 - 2.1/5402=31, ~5202=19...(21) HB VAL 18 + QD PHE 34 OK 64 75 - 86 - ~4690=30, ~5211=27...(17) HB ILE 40 + QD PHE 34 OK 56 77 - 73 - 3.2/5402=25, ~5202=14...(17) HG12 ILE 27 - QD PHE 34 OK 25 100 - 24 - ~4688=4, 4686/2.2=4...(8) HB2 MET 50 - QD PHE 34 OK 18 96 - 19 - 5677/4680=3, 4686/2.2=2...(8) HD3 LYS 35 - QD PHE 34 OK 10 70 - 15 - 1844/4.3=8, 5240/3.7=2...(4) HD2 LYS 94 - QD PHE 34 lone 8 87 - 9 - 731/4.3=1 HD3 LYS 94 - QD PHE 34 lone 8 87 - 9 - 731/4.3=1 HB3 LYS 61 - QD PHE 34 lone 7 100 - 7 - HG3 GLN 19 - QD PHE 34 lone 6 93 - 6 - HD3 LYS 61 - QD PHE 34 lone 5 79 - 6 - HD2 LYS 61 - QD PHE 34 lone 5 79 - 6 - HD3 LYS 63 - QD PHE 34 lone 5 79 - 6 - HD2 LYS 44 - QD PHE 34 lone 4 79 - 5 - HD3 LYS 44 - QD PHE 34 lone 4 77 - 5 - HG3 ARG 57 - QD PHE 34 lone 3 81 - 4 - HG2 ARG 57 - QD PHE 34 lone 3 77 - 3 - Peak 5204 from cnoeabs.peaks (0.83, 7.43, 131.99 ppm; 3.63 A): 4 out of 8 assignments used, quality = 0.99: QG1 VAL 30 + QD PHE 34 OK 80 99 - 81 - 5070=28, 5068/2.2=16...(27) QG2 VAL 30 + QD PHE 34 OK 73 95 - 77 - 2.1/5070=21, 3.2/5060=15...(28) QG2 ILE 16 + QD PHE 34 OK 62 99 - 62 - 3.1/4635=13, ~4632=10...(18) QG2 ILE 40 + QD PHE 34 OK 51 84 - 61 - 3.3/5402=16, 5451/4685=9...(18) QG2 ILE 37 - QD PHE 34 OK 45 92 - 48 - 7203/3.8=9, 5302=8...(15) QG2 ILE 80 - QD PHE 34 OK 44 97 - 45 - 6518/2.4=7, 3367/2.4=6...(17) QG2 VAL 25 - QD PHE 34 OK 31 87 - 35 - 5070=7, ~4833=5, ~5210=4...(12) QD2 LEU 62 - QD PHE 34 OK 21 99 - 21 - 5967/4.3=3, 4258/4.5=2...(9) Peak 5205 from cnoeabs.peaks (0.73, 7.43, 131.99 ppm; 5.37 A): 3 out of 3 assignments used, quality = 0.98: QG2 ILE 93 + QD PHE 34 OK 82 99 - 83 - 6805/2.2=21, 6805/3.8=18...(22) QD1 ILE 40 + QD PHE 34 OK 68 75 - 92 - 5402=25, 5199/2.4=20...(28) QG2 ILE 51 + QD PHE 34 OK 65 98 - 66 - 3.2/5712=22...(15) Peak 5206 from cnoeabs.peaks (1.65, 6.88, 130.24 ppm; 4.71 A): 3 out of 12 assignments used, quality = 0.98: HB VAL 18 + QE PHE 34 OK 88 93 - 94 - 2.1/4690=46, ~4830=31...(24) HG12 ILE 40 + QE PHE 34 OK 64 97 - 66 - ~5402=21, ~4683=14...(16) QB ALA 79 + QE PHE 34 OK 56 89 - 64 - 6463/2.2=17...(19) HG12 ILE 27 - QE PHE 34 OK 27 99 - 27 - 2.1/4688=6, 3.8/5212=5...(7) HB2 MET 50 - QE PHE 34 OK 15 100 - 15 - 4681/2.2=3, 4825/2.2=2...(4) HG3 GLN 19 - QE PHE 34 lone 7 100 - 7 - 4825/2.2=1 HB3 LYS 61 - QE PHE 34 lone 6 99 - 5 - HD3 LYS 94 - QE PHE 34 lone 5 68 - 7 - 6898/6916=1 HD2 LYS 94 - QE PHE 34 lone 5 68 - 7 - 6898/6916=1 HD2 LYS 41 - QE PHE 34 lone 5 71 - 7 - HD3 LYS 41 - QE PHE 34 lone 5 71 - 7 - HG3 ARG 57 - QE PHE 34 lone 2 60 - 3 - Peak 5207 from cnoeabs.peaks (1.10, 6.88, 130.24 ppm; 4.56 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 95 + QE PHE 34 OK 86 100 - 86 - 6916/2.2=25, 2.1/4688=23...(24) HG LEU 21 + QE PHE 34 OK 84 100 - 85 - 2.1/4692=24, 4826/2.2=19...(21) QG2 THR 99 - QE PHE 34 lone 4 85 - 5 - 4826/2.2=1 QG2 THR 46 - QE PHE 34 lone 2 57 - 4 - 2345/2.2=1 Peak 5208 from cnoeabs.peaks (0.97, 6.88, 130.24 ppm; 4.65 A): 4 out of 4 assignments used, quality = 0.92: QG1 VAL 95 + QE PHE 34 OK 80 98 - 82 - 2.1/6916=22, 4827/2.2=19...(22) QB ALA 66 + QE PHE 34 OK 44 97 - 46 - 4827/2.2=10, 6918=6...(16) QD1 ILE 27 + QE PHE 34 OK 18 76 - 24 - 4827/2.2=4, 4.2/5212=4...(8) QD1 LEU 62 + QE PHE 34 OK 12 63 - 19 - 2.1/5063=2, ~5066=2...(8) Peak 5209 from cnoeabs.peaks (0.85, 6.88, 130.24 ppm; 3.79 A): 4 out of 9 assignments used, quality = 0.99: QG1 VAL 30 + QE PHE 34 OK 80 99 - 82 - 5068=22, 5070/2.2=22...(25) QG2 VAL 30 + QE PHE 34 OK 79 100 - 80 - 2.1/5068=17, 5063=14...(25) QG1 VAL 18 + QE PHE 34 OK 68 81 - 84 - 2.1/4690=35, ~4830=21...(21) QG2 ILE 16 + QE PHE 34 OK 54 85 - 63 - 3.1/4632=16, 7203/2.2=16...(17) QG2 ILE 37 - QE PHE 34 OK 44 100 - 44 - 7203/2.2=16, 5302/2.2=9...(10) QG2 ILE 80 - QE PHE 34 OK 43 100 - 43 - 3.0/4692=9, 6518/4.4=5...(15) QD1 ILE 51 - QE PHE 34 OK 21 76 - 28 - 5712/2.2=10, 5739/4.4=4...(9) QD2 LEU 62 - QE PHE 34 OK 16 97 - 16 - 5066/2.2=2, 2.1/5208=2...(6) QG2 THR 42 - QE PHE 34 lone 2 68 - 3 - ~4680=1 Peak 5210 from cnoeabs.peaks (0.79, 6.88, 130.24 ppm; 4.46 A): 3 out of 5 assignments used, quality = 0.94: QD1 ILE 93 + QE PHE 34 OK 84 100 - 84 - 6809=26, 4829/2.2=25...(24) QG1 VAL 25 + QE PHE 34 OK 49 100 - 49 - 4829/2.2=11, 4912/4692=6...(21) QG2 ILE 40 + QE PHE 34 OK 30 68 - 44 - ~5402=14, ~4683=9...(8) QD1 LEU 53 - QE PHE 34 OK 23 81 - 28 - 4829/2.2=8, 2.1/5786=4...(12) QG2 VAL 25 - QE PHE 34 OK 11 63 - 17 - ~4829=7, 4914/4692=2...(4) Peak 5211 from cnoeabs.peaks (0.68, 6.88, 130.24 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 18 + QE PHE 34 OK 90 100 - 91 - 4830/2.2=38, 4694=25...(22) Peak 5212 from cnoeabs.peaks (3.50, 6.88, 130.24 ppm; 5.09 A): 3 out of 4 assignments used, quality = 0.91: HB3 PHE 83 + QE PHE 34 OK 87 95 - 92 - 1.8/6597=24, 6594=24...(19) HA ILE 27 + QE PHE 34 OK 23 89 - 26 - 4.2/4688=5, 5046/5063=4...(8) HB2 ASN 14 + QE PHE 34 OK 13 100 - 13 - 4527/4.4=4, 6884/6916=2...(5) HD3 PRO 74 - QE PHE 34 lone 4 71 - 5 - 6838/6809=1 Peak 5213 from cnoeabs.peaks (0.27, 6.88, 130.24 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.98: QD1 ILE 16 + QE PHE 34 OK 81 97 - 83 - 4632=26, 4635/2.2=20...(26) QD1 LEU 21 + QE PHE 34 OK 79 92 - 86 - 2.1/4692=22, 4786=19...(28) QG2 VAL 68 + QE PHE 34 OK 46 60 - 76 - ~4685=25, ~5216=16...(17) Peak 5214 from cnoeabs.peaks (-0.18, 6.88, 130.24 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 21 + QE PHE 34 OK 92 100 - 92 - 4777=26, 4832/2.2=24...(26) QD1 ILE 80 + QE PHE 34 OK 63 100 - 63 - 4832/2.2=13, 4727/4690=7...(27) Peak 5215 from cnoeabs.peaks (0.28, 7.43, 131.99 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 68 + QD PHE 34 OK 89 93 - 95 - 2.1/4685=42, 6152=35...(25) QD1 LEU 21 + QD PHE 34 OK 85 100 - 85 - 4786/2.2=18, ~4692=16...(26) QD1 ILE 16 + QD PHE 34 OK 51 67 - 76 - 4632/2.2=20, 4635=17...(22) Peak 5216 from cnoeabs.peaks (0.00, 7.43, 131.99 ppm; 5.81 A): 1 out of 1 assignment used, quality = 0.98: QG1 VAL 68 + QD PHE 34 OK 98 99 - 99 - 5220/2.4=48, 5218/2.4=48...(28) Peak 5217 from cnoeabs.peaks (0.28, 2.77, 39.73 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.96: QG2 VAL 68 + HB3 PHE 34 OK 90 95 - 95 - 2.1/5218=39, 6152/2.4=29...(20) QD1 LEU 21 + HB3 PHE 34 OK 58 100 - 58 - 4684/2.4=15, 4786/4.4=12...(14) QD1 ILE 16 - HB3 PHE 34 OK 44 68 - 64 - 4684/2.4=15, 4632/4.4=13...(18) Peak 5218 from cnoeabs.peaks (0.01, 2.77, 39.73 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 68 + HB3 PHE 34 OK 94 100 - 94 - 5220/1.8=39, 4685/2.4=38...(23) Peak 5219 from cnoeabs.peaks (0.28, 3.41, 39.73 ppm; 4.89 A): 3 out of 3 assignments used, quality = 0.97: QG2 VAL 68 + HB2 PHE 34 OK 85 89 - 96 - 2.1/5220=43, ~5218=32...(18) QD1 LEU 21 + HB2 PHE 34 OK 61 100 - 61 - 4684/2.4=16, 4786/4.4=13...(13) QD1 ILE 16 + HB2 PHE 34 OK 56 78 - 72 - 4635/2.4=17, 4632/4.4=17...(18) Peak 5220 from cnoeabs.peaks (0.00, 3.41, 39.73 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.92: QG1 VAL 68 + HB2 PHE 34 OK 92 99 - 93 - 5218/1.8=38, 4685/2.4=37...(19) Peak 5227 from cnoeabs.peaks (0.74, 4.91, 57.98 ppm; 3.81 A): 4 out of 4 assignments used, quality = 0.94: QD1 ILE 40 + HA LYS 35 OK 89 100 - 89 - 5430=43, 5226/3.0=19...(18) QD1 LEU 53 + HA LYS 35 OK 25 73 - 35 - 5226/3.0=7, 2.1/5798=6...(12) QG2 ILE 93 + HA LYS 35 OK 17 73 - 23 - 5226/3.0=6, 5229/3.0=4...(8) QG2 ILE 51 + HA LYS 35 OK 12 65 - 18 - ~7035=3, 5715=2...(9) Peak 5229 from cnoeabs.peaks (0.74, 2.05, 31.03 ppm; 4.22 A): 4 out of 4 assignments used, quality = 0.95: QD1 ILE 40 + HB2 LYS 35 OK 91 98 - 93 - 5430/3.0=31, 2.1/7076=30...(17) QG2 ILE 93 + HB2 LYS 35 OK 19 85 - 23 - 5226/3.8=6, 4.4/1794=5...(6) QD1 LEU 53 + HB2 LYS 35 OK 18 60 - 31 - 5226/3.8=7, 5227/3.0=6...(9) QG2 ILE 51 + HB2 LYS 35 OK 11 78 - 14 - 5715/3.0=3, 4212/3.8=3...(4) Peak 5230 from cnoeabs.peaks (0.74, 2.16, 31.03 ppm; 4.16 A): 5 out of 8 assignments used, quality = 0.94: QD1 ILE 40 + HB3 LYS 35 OK 88 98 - 90 - 5430/3.0=30, 5444/1.8=26...(16) QG2 ILE 93 + HB3 LYS 35 OK 20 85 - 23 - 5226/3.8=5, 5229/1.8=5...(7) QG2 ILE 93 + HB3 PRO 92 OK 20 47 - 42 - 1026/4.1=11, 6819/2.3=5...(13) QD1 LEU 53 + HB3 LYS 35 OK 18 60 - 30 - 5226/3.8=7, 5227/3.0=6...(8) QD1 ILE 40 + HB3 PRO 92 OK 11 59 - 19 - 2040/3.0=4, 5445/2.3=3...(6) QG2 ILE 51 - HB3 LYS 35 poor 10 78 - 12 - 5715/3.0=3, 5229/1.8=3...(4) QG2 ILE 51 - HB3 PRO 92 poor 5 42 - 11 - 1026/4.1=3, 5733/1.8=1 QD1 LEU 53 - HB3 PRO 92 lone 3 31 - 9 - ~5806=1, ~5804=1, 5644/2.3=1 Peak 5234 from cnoeabs.peaks (4.10, 2.16, 31.03 ppm; 5.53 A): 6 out of 18 assignments used, quality = 0.87: HA GLN 36 + HB3 LYS 35 OK 68 73 - 93 - 2.9/135=37, ~134=34...(12) HA3 GLY 38 + HB3 LYS 35 OK 23 76 - 31 - ~5335=19, 5348/3.0=3...(7) HA ILE 39 + HB3 LYS 35 OK 21 90 - 23 - ~5375=9, 5423/7074=4...(7) HB THR 67 + HB3 LYS 35 OK 14 100 - 13 - 6093/3.0=4, ~6091=2...(5) HA GLU 23 + HB3 LYS 35 OK 13 97 - 13 - 5235/3.0=3, ~661=2...(6) HA3 GLY 22 + HB3 LYS 35 OK 11 100 - 12 - ~5243=5, 5423/7074=2...(4) HB THR 15 - HB3 LYS 35 poor 7 68 - 11 - 5237/3.0=2, ~4569=2...(4) HA ILE 39 - HB3 PRO 92 poor 6 51 - 12 - 5364/3.0=3, ~5365=2...(4) HB3 SER 29 - HB3 LYS 35 lone 5 68 - 7 - 5034/3.0=1, ~5030=1...(4) HB2 SER 96 - HB3 LYS 35 lone 4 100 - 4 - HA GLU 23 - HB3 PRO 92 lone 3 58 - 5 - HA3 GLY 22 - HB3 PRO 92 lone 3 62 - 5 - HA GLN 36 - HB3 PRO 92 lone 3 39 - 7 - 2.9/135=1 HB2 SER 96 - HB3 PRO 92 lone 2 62 - 3 - HB THR 67 - HB3 PRO 92 lone 2 63 - 3 - HA3 GLY 38 - HB3 PRO 92 lone 1 41 - 3 - HB3 SER 29 - HB3 PRO 92 lone 1 36 - 3 - HB THR 15 - HB3 PRO 92 lone 1 36 - 3 - Peak 5235 from cnoeabs.peaks (4.12, 1.76, 23.83 ppm; 5.25 A): 1 out of 8 assignments used, quality = 0.95: HA GLN 36 + HG2 LYS 35 OK 95 99 - 95 - 2.9/4131=31, 5247/1.8=29...(14) HA GLU 23 - HG2 LYS 35 OK 14 99 - 14 - 5237/1.8=3, 5246=2...(6) HB THR 15 - HG2 LYS 35 OK 12 99 - 11 - 5237/1.8=5, ~4569=3, ~4565=2 HB THR 67 - HG2 LYS 35 poor 9 81 - 11 - 6093/1.8=3, ~6091=3...(4) HA3 GLY 22 - HG2 LYS 35 lone 7 93 - 8 - ~5243=3, 5237/1.8=2, 5234/3.0=1 HA THR 99 - HG2 LYS 35 lone 7 90 - 7 - 7030/1.8=3, ~466=2 HA VAL 25 - HG2 LYS 35 lone 4 65 - 5 - 5237/1.8=2, ~4891=2 HB2 SER 96 - HG2 LYS 35 lone 3 93 - 3 - Peak 5236 from cnoeabs.peaks (4.30, 1.76, 23.83 ppm; 3.69 A): 3 out of 4 assignments used, quality = 0.89: HA ASP 32 + HG2 LYS 35 OK 71 100 - 72 - 5121/1.8=15, 5239/3.0=13...(17) HA ASP 81 + HG2 LYS 35 OK 49 97 - 51 - 5121/1.8=10, 5239/3.0=9...(13) HB THR 59 + HG2 LYS 35 OK 22 81 - 28 - 5240/3.0=5, 5239/3.0=4...(11) HD2 PRO 73 - HG2 LYS 35 lone 3 63 - 4 - Peak 5237 from cnoeabs.peaks (4.13, 1.27, 23.83 ppm; 4.83 A): 1 out of 9 assignments used, quality = 0.92: HA GLN 36 + HG3 LYS 35 OK 92 100 - 92 - 2.9/4132=31, 5247=27...(13) HB THR 15 - HG3 LYS 35 OK 16 100 - 15 - 4568=4, 2.1/4569=3...(5) HA GLU 23 - HG3 LYS 35 OK 12 95 - 13 - 5235/1.8=3, 5247=2...(6) HB THR 67 - HG3 LYS 35 OK 10 68 - 15 - 2.1/6091=3, 6093=3...(6) HA THR 99 - HG3 LYS 35 OK 10 97 - 10 - 7030=4, 3.0/466=3, 5235/1.8=2 HA VAL 25 - HG3 LYS 35 lone 7 78 - 8 - 3.0/4891=2, 4896=2, 3.6/678=2 HA3 GLY 22 - HG3 LYS 35 lone 6 85 - 7 - ~5243=3, 5235/1.8=2 HB2 SER 96 - HG3 LYS 35 lone 3 85 - 3 - HA ALA 78 - HG3 LYS 35 lone 1 60 - 2 - Peak 5238 from cnoeabs.peaks (4.30, 1.27, 23.83 ppm; 4.37 A): 3 out of 5 assignments used, quality = 0.95: HA ASP 32 + HG3 LYS 35 OK 83 100 - 84 - 5236/1.8=22, 5121=22...(16) HA ASP 81 + HG3 LYS 35 OK 60 90 - 66 - 5236/1.8=15, 5121=15...(13) HB THR 59 + HG3 LYS 35 OK 25 68 - 36 - 5236/1.8=7, 5240/3.0=6...(11) HA LYS 63 - HG3 LYS 35 lone 6 65 - 9 - 3.6/1824=5, ~5243=2 HD2 PRO 73 - HG3 LYS 35 lone 5 76 - 6 - Peak 5239 from cnoeabs.peaks (4.30, 1.74, 29.74 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.92: HA ASP 32 + HD2 LYS 35 OK 76 100 - 77 - 5240/1.8=17, 5236/3.0=15...(18) HA ASP 81 + HD2 LYS 35 OK 54 97 - 56 - 5240/1.8=12, 5236/3.0=10...(13) HB THR 59 + HD2 LYS 35 OK 24 81 - 30 - 5240/1.8=7, 5236/3.0=5...(10) HD2 PRO 73 - HD2 LYS 35 lone 3 63 - 4 - Peak 5240 from cnoeabs.peaks (4.31, 1.69, 29.74 ppm; 3.74 A): 4 out of 4 assignments used, quality = 0.91: HA ASP 32 + HD3 LYS 35 OK 71 100 - 71 - 5239/1.8=17, 5236/3.0=14...(18) HA ASP 81 + HD3 LYS 35 OK 51 99 - 52 - 5239/1.8=12, 5236/3.0=10...(13) HB THR 59 + HD3 LYS 35 OK 29 89 - 32 - 5239/1.8=6, 5236/3.0=4...(11) HA PHE 34 + HD3 LYS 35 OK 12 68 - 18 - 3.5/1844=9, ~5190=5, 7156/4134=1 Peak 5243 from cnoeabs.peaks (8.00, 2.05, 31.03 ppm; 5.45 A): 4 out of 4 assignments used, quality = 0.86: H PHE 34 + HB2 LYS 35 OK 74 90 - 82 - 4.6/726=35, 5189=29...(9) H GLY 22 + HB2 LYS 35 OK 22 99 - 22 - 4847/3.8=7, 1170/4.6=3...(6) H LYS 63 + HB2 LYS 35 OK 20 99 - 20 - 1107/3.8=7, 4.7/1794=5...(5) H LYS 86 + HB2 LYS 35 OK 14 99 - 14 - 1170/4.6=2, 124/3.8=2...(5) Peak 5246 from cnoeabs.peaks (1.75, 4.13, 57.34 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.98: HG2 LYS 35 + HA GLN 36 OK 90 99 - 91 - 4131/2.9=27, 1.8/5247=26...(13) HD2 LYS 35 + HA GLN 36 OK 79 95 - 84 - 3.0/5247=22, 138/2.9=18...(12) HB3 GLN 19 - HA GLN 36 OK 10 100 - 10 - 136/2.9=2, 1.8/1876=2, ~736=2 HG2 LYS 35 - HA GLU 23 poor 7 53 - 12 - 5235=3, 1.8/5237=3...(5) HD2 LYS 35 - HA GLU 23 poor 5 48 - 10 - 3.0/5235=3, 3.0/5237=2...(4) HB3 GLN 19 - HA GLU 23 lone 2 55 - 4 - 7177/3.8=2 Peak 5247 from cnoeabs.peaks (1.25, 4.13, 57.34 ppm; 4.41 A): 3 out of 10 assignments used, quality = 0.84: HG3 LYS 35 + HA GLN 36 OK 78 90 - 87 - 137/2.9=24, 5237=19...(13) QB ALA 98 + HA GLN 36 OK 20 90 - 21 - 4405/3.5=6, 137/2.9=5...(6) HG3 LYS 86 + HA GLN 36 OK 12 100 - 12 - 137/2.9=3, 2.8/1879=2...(5) QG2 THR 59 - HA GLN 36 lone 5 65 - 8 - ~7156=3, 5918/4.0=2, 5917/4.0=1 HG3 LYS 35 - HA GLU 23 poor 5 45 - 11 - 1.8/5235=3, 5237=3...(4) QG2 THR 26 - HA GLN 36 lone 2 92 - 2 - QB ALA 98 - HA GLU 23 lone 2 45 - 4 - QG2 THR 26 - HA GLU 23 lone 1 46 - 3 - 4891/4853=1 HG3 LYS 86 - HA GLU 23 lone 1 55 - 2 - QG2 THR 59 - HA GLU 23 lone 1 30 - 3 - Peak 5248 from cnoeabs.peaks (0.85, 4.13, 57.34 ppm; 4.50 A): 7 out of 18 assignments used, quality = 0.92: QG2 ILE 37 + HA GLN 36 OK 60 100 - 60 - 1928/3.5=25, ~5313=11...(8) QD2 LEU 62 + HA GLN 36 OK 37 97 - 39 - 3.1/5949=7, 2.1/5954=7...(10) QG2 VAL 30 + HA GLN 36 OK 26 100 - 26 - 5049=6, 5245/2.9=5...(8) QD2 LEU 62 + HA GLU 23 OK 26 50 - 52 - 3.1/5949=15, 2.1/5954=14...(7) QG1 VAL 30 + HA GLN 36 OK 21 99 - 21 - 2.1/5049=5, 5245/2.9=4...(7) QG2 ILE 80 + HA GLN 36 OK 18 100 - 17 - 745/3.5=4, 7183/4.0=3...(5) QG2 ILE 16 + HA GLN 36 OK 11 85 - 13 - 745/3.5=3, 5245/2.9=2...(5) QG2 ILE 37 - HA GLU 23 poor 7 55 - 12 - 5318/3.0=3, ~5322=2...(5) QD1 ILE 51 - HA GLN 36 lone 7 76 - 9 - 5245/2.9=2, 5722/4.7=1 QG1 VAL 18 - HA GLN 36 lone 6 81 - 7 - 5245/2.9=1 QG2 VAL 30 - HA GLU 23 lone 4 55 - 8 - 5049=2, 5045/3.0=1 QG2 ILE 16 - HA GLU 23 lone 4 41 - 9 - ~4648=1, ~4642=1 QG1 VAL 30 - HA GLU 23 lone 3 53 - 6 - 2.1/5049=1 QG2 THR 42 - HA GLN 36 lone 3 68 - 4 - QG2 ILE 80 - HA GLU 23 lone 2 54 - 3 - 3.0/6529=1 QD1 ILE 51 - HA GLU 23 lone 1 35 - 3 - QG2 THR 42 - HA GLU 23 lone 1 31 - 3 - QG1 VAL 18 - HA GLU 23 lone 1 38 - 2 - Peak 5250 from cnoeabs.peaks (4.21, 2.42, 33.99 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 37 + HG2 GLN 36 OK 88 95 - 93 - 3.0/146=27, 4.7/1878=23...(17) HA TYR 33 + HG2 GLN 36 OK 72 96 - 76 - 5166=31, 5153/3.5=25...(11) HB THR 99 - HG2 GLN 36 OK 41 97 - 42 - 5251/1.8=8, 3.9/4140=8...(9) HA3 GLY 64 - HG2 GLN 36 lone 5 65 - 8 - 3.0/5261=4, 7036/3.0=1 Peak 5251 from cnoeabs.peaks (4.20, 2.30, 33.99 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.96: HA ILE 37 + HG3 GLN 36 OK 73 78 - 93 - 3.0/147=29, 4.7/1879=23...(16) HA TYR 33 + HG3 GLN 36 OK 72 100 - 73 - 5166/1.8=32, 5153/3.5=27...(10) HB THR 99 + HG3 GLN 36 OK 41 100 - 41 - 3.9/4141=8, 5250/1.8=8...(9) HA3 GLY 60 - HG3 GLN 36 lone 2 63 - 3 - ~5932=1 HA3 GLY 47 - HG3 GLN 36 lone 1 63 - 2 - Peak 5252 from cnoeabs.peaks (4.93, 4.13, 57.34 ppm; 4.82 A): 3 out of 10 assignments used, quality = 0.81: HA LYS 35 + HA GLN 36 OK 73 87 - 84 - 5293/3.5=25, ~134=20...(11) HA ASN 24 + HA GLU 23 OK 23 47 - 49 - ~1075=18, ~66=17...(6) HA ASN 52 + HA GLN 36 OK 11 100 - 11 - 5293/3.5=3, 2.9/5262=3, ~132=2 HA ASN 24 - HA GLN 36 lone 6 93 - 7 - 3.0/4871=2, 3.0/4872=1 HA LYS 35 - HA GLU 23 poor 5 42 - 13 - 3.9/5235=2, 3.9/5237=2...(5) HA ASN 52 - HA GLU 23 lone 3 55 - 5 - 5959/5954=2 HA VAL 18 - HA GLN 36 lone 3 68 - 4 - HA VAL 95 - HA GLN 36 lone 2 60 - 3 - HA VAL 95 - HA GLU 23 lone 1 27 - 4 - ~6922=1 HA VAL 18 - HA GLU 23 lone 1 31 - 3 - Peak 5255 from cnoeabs.peaks (7.34, 4.13, 57.34 ppm; 4.84 A): 4 out of 8 assignments used, quality = 0.75: H GLY 38 + HA GLN 36 OK 60 99 - 60 - 150/3.5=35, 5331/2.9=27...(4) QD PHE 97 + HA GLN 36 OK 21 97 - 21 - 1089/3.5=5, 5256/2.9=5...(6) HZ2 TRP 82 + HA GLN 36 OK 12 100 - 12 - 1089/3.5=6, 5256/2.9=3 HD21 ASN 91 + HA GLN 36 OK 12 90 - 12 - 6774=4, 1.7/6768=3...(4) H GLY 38 - HA GLU 23 poor 7 54 - 13 - 1090/3.0=5, ~4149=2, ~4148=2 HD21 ASN 91 - HA GLU 23 lone 3 45 - 8 - 6774=3, 1.7/6768=3 QD PHE 97 - HA GLU 23 lone 3 51 - 6 - HZ2 TRP 82 - HA GLU 23 lone 1 55 - 2 - Peak 5257 from cnoeabs.peaks (6.96, 2.11, 29.64 ppm; 4.62 A): 6 out of 14 assignments used, quality = 0.94: HZ PHE 83 + HB2 GLN 36 OK 58 90 - 64 - 4807=17, 4806/1.8=16...(10) QE PHE 83 + HB2 GLN 36 OK 52 83 - 64 - 2.2/4807=15, ~4806=12...(13) HZ PHE 88 + HB2 GLN 36 OK 30 90 - 34 - 5258/1.8=5, 5294/4.6=5...(11) QE PHE 88 + HB2 GLN 36 OK 28 92 - 30 - 5258/1.8=6, 7170/4.6=5...(9) QE PHE 70 + HB2 GLN 36 OK 24 100 - 24 - 5294/4.6=5, 5258/1.8=5...(7) HE22 GLN 48 + HB2 GLN 36 OK 18 92 - 19 - 5294/4.6=3, 5258/1.8=3...(8) HD21 ASN 52 - HB2 GLN 36 poor 9 78 - 11 - 5294/4.6=2, 5253/4.0=2...(5) QE PHE 83 - HB2 GLU 58 lone 1 24 - 3 - QE PHE 70 - HB2 GLU 58 lone 1 34 - 2 - HZ PHE 88 - HB2 GLU 58 lone 0 27 - 2 - HE22 GLN 48 - HB2 GLU 58 lone 0 28 - 1 - QE PHE 88 - HB2 GLU 58 lone 0 28 - 1 - HZ PHE 83 - HB2 GLU 58 lone 0 27 - 1 - HD21 ASN 52 - HB2 GLU 58 lone 0 22 - 1 - Peak 5258 from cnoeabs.peaks (6.96, 2.01, 29.64 ppm; 4.43 A): 6 out of 7 assignments used, quality = 0.92: HZ PHE 83 + HB3 GLN 36 OK 60 96 - 63 - 4807/1.8=20, 4840/4.6=16...(10) QE PHE 83 + HB3 GLN 36 OK 43 73 - 59 - ~4807=15, 2.2/4806=11...(14) QE PHE 88 + HB3 GLN 36 OK 27 97 - 28 - 7170/4.6=5, 5257/1.8=5...(9) HZ PHE 88 + HB3 GLN 36 OK 25 83 - 30 - 5257/1.8=5, 5294/4.6=4...(11) QE PHE 70 + HB3 GLN 36 OK 22 99 - 23 - 5294/4.6=4, 5253/4.0=4...(7) HE22 GLN 48 + HB3 GLN 36 OK 15 85 - 17 - 5257/1.8=3, 5294/4.6=3...(7) HD21 ASN 52 - HB3 GLN 36 lone 7 68 - 9 - 5294/4.6=2, 5253/4.0=2...(5) Peak 5259 from cnoeabs.peaks (6.98, 2.42, 33.99 ppm; 4.83 A): 5 out of 8 assignments used, quality = 0.93: QE PHE 83 + HG2 GLN 36 OK 70 99 - 71 - ~4807=13, 7171/3.5=13...(18) HZ PHE 88 + HG2 GLN 36 OK 39 100 - 39 - 7171/3.5=6, 7172/3.5=5...(12) HZ PHE 83 + HG2 GLN 36 OK 32 57 - 57 - 4840/3.5=12, 7170/3.5=11...(12) QE PHE 70 + HG2 GLN 36 OK 26 97 - 27 - 5253/5.0=4, 5260/1.8=4...(10) HE22 GLN 48 + HG2 GLN 36 OK 22 100 - 21 - 7172/3.5=3, 7171/3.5=3...(8) QE PHE 88 - HG2 GLN 36 OK 18 60 - 31 - 7170/3.5=5, 5260/1.8=5...(10) HD21 ASN 52 - HG2 GLN 36 OK 14 99 - 14 - 7172/3.5=2, 7171/3.5=2...(7) HD21 ASN 24 - HG2 GLN 36 lone 6 89 - 6 - 7171/3.5=1, 7172/3.5=1 Peak 5260 from cnoeabs.peaks (6.96, 2.30, 33.99 ppm; 4.71 A): 6 out of 7 assignments used, quality = 0.94: HZ PHE 83 + HG3 GLN 36 OK 61 90 - 68 - 4840/3.5=20, 4807/3.0=17...(12) QE PHE 83 + HG3 GLN 36 OK 53 83 - 64 - ~4807=13, 5259/1.8=10...(15) QE PHE 88 + HG3 GLN 36 OK 30 92 - 33 - 7170/3.5=7, 5258/3.0=5...(11) HZ PHE 88 + HG3 GLN 36 OK 30 90 - 33 - 5259/1.8=6, 5257/3.0=5...(11) QE PHE 70 + HG3 GLN 36 OK 24 100 - 24 - 5258/3.0=4, 5259/1.8=4...(8) HE22 GLN 48 + HG3 GLN 36 OK 17 92 - 18 - 5259/1.8=3, 5257/3.0=3...(7) HD21 ASN 52 - HG3 GLN 36 poor 8 78 - 10 - 5259/1.8=2, 5253/5.0=2...(5) Peak 5261 from cnoeabs.peaks (8.35, 2.42, 33.99 ppm; 5.24 A): 3 out of 4 assignments used, quality = 0.76: H LYS 35 + HG2 GLN 36 OK 62 100 - 62 - 4.6/738=34, 5262/4.0=15...(8) H LYS 94 + HG2 GLN 36 OK 25 99 - 25 - 6857/3.0=7, 132/5.0=6...(6) H GLY 64 + HG2 GLN 36 OK 16 90 - 17 - 132/5.0=4, 5262/4.0=4...(6) H ASN 52 - HG2 GLN 36 poor 10 85 - 11 - 132/5.0=3, 5262/4.0=3...(4) Peak 5262 from cnoeabs.peaks (8.34, 4.13, 57.34 ppm; 5.06 A): 4 out of 8 assignments used, quality = 0.91: H LYS 35 + HA GLN 36 OK 82 100 - 82 - 1087/2.9=33, 5242/3.5=26...(9) H LYS 94 + HA GLN 36 OK 30 96 - 31 - 132/2.9=8, 6857/3.0=7...(7) H GLY 64 + HA GLN 36 OK 21 96 - 22 - 132/2.9=5, 5261/4.0=4...(7) H ASN 52 + HA GLN 36 OK 14 76 - 18 - 132/2.9=4, 5317/3.5=3...(4) H LYS 35 - HA GLU 23 poor 8 55 - 14 - 4.8/5235=2, 4.8/5237=2...(7) H GLY 64 - HA GLU 23 poor 7 49 - 14 - 5964/5949=3, 5965/5952=2 H LYS 94 - HA GLU 23 lone 4 49 - 8 - 5965/5952=2, 5964/5949=1 H ASN 52 - HA GLU 23 lone 2 35 - 7 - 5965/5952=1, 5968/5954=1 Peak 5268 from cnoeabs.peaks (1.67, 1.85, 40.08 ppm; 4.44 A): 2 out of 36 assignments used, quality = 0.97: QB ALA 79 + HB ILE 37 OK 94 100 - 94 - 6491/3.2=23, 6472=20...(26) QB ALA 79 + HB ILE 16 OK 49 63 - 78 - 6493/3.2=29, ~6488=17...(19) HD2 LYS 61 - HB ILE 37 OK 29 96 - 30 - ~5286=3, 5269/2.1=3...(13) HD3 LYS 61 - HB ILE 37 OK 29 96 - 30 - ~5286=3, 5269/2.1=3...(13) HB2 MET 50 - HB ILE 37 OK 18 85 - 21 - 5662/3.0=4, ~5665=3...(9) HB ILE 40 - HB ILE 37 OK 16 95 - 17 - 5336/4.4=2, ~5432=2...(8) HB3 LYS 61 - HB ILE 37 OK 14 97 - 15 - ~7159=2, 5269/2.1=2...(7) HD2 LYS 44 - HB ILE 37 OK 12 96 - 13 - 5336/4.4=1, 5270/3.0=1...(5) HD3 LYS 44 - HB ILE 37 OK 12 95 - 13 - 5336/4.4=1, 5270/3.0=1...(5) HD2 LYS 94 - HB ILE 37 OK 12 99 - 12 - 5270/3.0=1, 5272/3.2=1...(4) HD3 LYS 94 - HB ILE 37 OK 12 99 - 12 - 5270/3.0=1, 5272/3.2=1...(4) HD3 LYS 35 - HB ILE 37 OK 11 90 - 13 - 5266/3.9=4, 4134/5313=2...(4) HG12 ILE 27 - HB ILE 16 OK 11 57 - 20 - 4096/4.0=4, ~4579=3...(9) HB ILE 40 - HB ILE 16 OK 10 55 - 19 - ~5432=3, 4602/3.2=2...(9) HG3 ARG 57 - HB ILE 37 lone 9 97 - 10 - 5272/3.2=1, 5270/3.0=1 HG2 ARG 57 - HB ILE 37 lone 9 95 - 9 - 5272/3.2=1, 5270/3.0=1 HG12 ILE 27 - HB ILE 37 lone 9 97 - 9 - 5271/3.0=1, ~1933=1 HG12 ILE 39 - HB ILE 37 poor 9 76 - 12 - 5336/4.4=4, 5269/2.1=1 HB2 MET 50 - HB ILE 16 poor 9 47 - 19 - 5663/2.1=4, 5662/3.0=3...(8) HG12 ILE 40 - HB ILE 37 poor 8 60 - 14 - 5271/3.0=2, ~5441=2...(4) HD3 LYS 63 - HB ILE 37 lone 6 96 - 6 - HG12 ILE 40 - HB ILE 16 poor 6 31 - 20 - ~2042=3, ~5454=3...(8) HD2 LYS 94 - HB ILE 16 lone 6 60 - 10 - ~3875=1 HD3 LYS 94 - HB ILE 16 lone 6 60 - 10 - ~3875=1 HD2 LYS 44 - HB ILE 16 lone 4 56 - 8 - HD3 LYS 63 - HB ILE 16 lone 4 56 - 8 - ~4589=2, ~4603=1 HD3 LYS 44 - HB ILE 16 lone 4 55 - 8 - HD2 LYS 61 - HB ILE 16 lone 4 56 - 6 - HD3 LYS 61 - HB ILE 16 lone 4 56 - 6 - HG3 GLN 19 - HB ILE 37 lone 3 78 - 3 - HG3 GLN 19 - HB ILE 16 lone 3 42 - 6 - ~4742=3 HB3 LYS 61 - HB ILE 16 lone 3 57 - 4 - HG12 ILE 39 - HB ILE 16 lone 3 40 - 6 - ~1981=1, ~1286=1 HD3 LYS 35 - HB ILE 16 lone 2 51 - 3 - HG3 ARG 57 - HB ILE 16 lone 1 57 - 2 - HG2 ARG 57 - HB ILE 16 lone 1 55 - 2 - Peak 5269 from cnoeabs.peaks (1.67, 0.85, 19.06 ppm; 2.85 A): 4 out of 40 assignments used, quality = 0.85: QB ALA 79 + QG2 ILE 37 OK 71 99 - 71 - 6490=15, 2.1/5290=10...(22) QB ALA 79 + QG2 ILE 16 OK 28 55 - 51 - 6493/3.1=14, 6490=11...(15) HD2 LYS 61 + QG2 ILE 37 OK 15 99 - 16 - 2.9/5286=2, 3.0/7159=2...(5) HD3 LYS 61 + QG2 ILE 37 OK 15 99 - 16 - 2.9/5286=2, 3.0/7159=2...(5) HB3 LYS 61 - QG2 ILE 37 lone 8 90 - 9 - 3.0/7159=2, 3.0/7159=2 HB2 MET 50 - QG2 ILE 37 poor 8 73 - 11 - 5662/3.2=1, 3.0/5660=1...(4) HB ILE 40 - QG2 ILE 37 lone 8 99 - 8 - HG12 ILE 39 - QG2 ILE 37 lone 6 87 - 7 - 4.6/5318=2, 5336/4.4=2 HD3 LYS 35 - QG2 ILE 37 lone 6 97 - 6 - 5266/4.0=1 HD2 LYS 44 - QG2 ILE 37 lone 6 99 - 6 - HD3 LYS 44 - QG2 ILE 37 lone 5 99 - 6 - HG3 ARG 57 - QG2 ILE 37 lone 5 99 - 5 - 3.9/5288=1 HG2 ARG 57 - QG2 ILE 37 lone 5 99 - 5 - 3.9/5288=1 HD2 LYS 94 - QG2 ILE 37 lone 5 100 - 5 - HD3 LYS 94 - QG2 ILE 37 lone 5 100 - 5 - HB ILE 40 - QG2 ILE 16 lone 5 53 - 9 - 4602/3.1=1 HG12 ILE 27 - QG2 ILE 37 lone 4 90 - 5 - HD2 LYS 77 - QG2 ILE 37 lone 4 63 - 6 - 4.6/6418=1, 3.0/5286=1 HG12 ILE 27 - QG2 ILE 16 lone 4 45 - 8 - 4096/4.0=1 HD3 LYS 63 - QG2 ILE 37 lone 3 99 - 3 - HB2 MET 50 - QG2 ILE 16 lone 3 34 - 8 - HD2 LYS 94 - QG2 ILE 16 lone 2 56 - 4 - HD3 LYS 94 - QG2 ILE 16 lone 2 56 - 4 - HD3 LYS 63 - QG2 ILE 16 lone 2 54 - 3 - HD2 LYS 61 - QG2 ILE 16 lone 2 54 - 3 - HD3 LYS 61 - QG2 ILE 16 lone 2 54 - 3 - HD2 LYS 44 - QG2 ILE 16 lone 2 54 - 3 - HD3 LYS 44 - QG2 ILE 16 lone 2 53 - 3 - HD3 LYS 45 - QG2 ILE 37 lone 1 65 - 2 - HD2 LYS 45 - QG2 ILE 37 lone 1 60 - 2 - HG12 ILE 39 - QG2 ILE 16 lone 1 43 - 3 - HG3 GLN 19 - QG2 ILE 37 lone 1 65 - 2 - HB3 LYS 61 - QG2 ILE 16 lone 1 45 - 2 - HD2 LYS 77 - QG2 ILE 16 lone 1 28 - 4 - 4.6/6418=1 HD3 LYS 35 - QG2 ILE 16 lone 1 51 - 2 - HG3 GLN 19 - QG2 ILE 16 lone 1 30 - 3 - HG3 ARG 57 - QG2 ILE 16 lone 1 55 - 1 - HG2 ARG 57 - QG2 ILE 16 lone 1 53 - 1 - HD3 LYS 45 - QG2 ILE 16 lone 0 30 - 1 - HD2 LYS 45 - QG2 ILE 16 lone 0 27 - 1 - Peak 5270 from cnoeabs.peaks (1.67, 1.36, 29.44 ppm; 4.06 A): 1 out of 18 assignments used, quality = 0.93: QB ALA 79 + HG12 ILE 37 OK 93 100 - 93 - 6491/2.1=25, 2.1/5282=23...(23) HD2 LYS 61 - HG12 ILE 37 OK 22 96 - 23 - 5272/2.1=3, 5269/3.2=2...(12) HD3 LYS 61 - HG12 ILE 37 OK 22 96 - 23 - 5272/2.1=3, 5269/3.2=2...(12) HB2 MET 50 - HG12 ILE 37 OK 16 85 - 19 - 5662/1.8=5, ~5665=3...(8) HB ILE 40 - HG12 ILE 37 OK 14 95 - 15 - ~5432=2, 5272/2.1=2...(6) HD2 LYS 94 - HG12 ILE 37 OK 10 99 - 10 - 5272/2.1=1, 5271/1.8=1 HD3 LYS 94 - HG12 ILE 37 OK 10 99 - 10 - 5272/2.1=1, 5271/1.8=1 HB3 LYS 61 - HG12 ILE 37 lone 9 97 - 10 - 5272/2.1=2, 5271/1.8=1...(5) HD2 LYS 44 - HG12 ILE 37 lone 9 96 - 10 - 5272/2.1=1 HD3 LYS 44 - HG12 ILE 37 lone 9 95 - 10 - 5272/2.1=1 HG3 ARG 57 - HG12 ILE 37 lone 8 97 - 8 - 5272/2.1=1 HG2 ARG 57 - HG12 ILE 37 lone 8 95 - 8 - 5272/2.1=1 HG12 ILE 39 - HG12 ILE 37 poor 8 76 - 10 - 4.6/5321=4, 5336/154=1 HG12 ILE 40 - HG12 ILE 37 poor 7 60 - 13 - 5271/1.8=2, 2.1/5441=2 HG12 ILE 27 - HG12 ILE 37 lone 7 97 - 7 - 5271/1.8=1, 5272/2.1=1 HD3 LYS 35 - HG12 ILE 37 lone 7 90 - 8 - 5266/4.6=3, 5272/2.1=1 HD3 LYS 63 - HG12 ILE 37 lone 5 96 - 5 - HG3 GLN 19 - HG12 ILE 37 lone 2 78 - 3 - Peak 5271 from cnoeabs.peaks (1.66, 1.18, 29.44 ppm; 3.39 A): 5 out of 18 assignments used, quality = 0.89: QB ALA 79 + HG13 ILE 37 OK 81 96 - 84 - 2.1/5283=18, 6491/2.1=17...(24) HB2 MET 50 + HG13 ILE 37 OK 20 99 - 20 - 5662=3, 1.8/5665=2...(8) HD2 LYS 61 + HG13 ILE 37 OK 11 71 - 16 - 5272/2.1=2, 5270/1.8=2...(7) HD3 LYS 61 + HG13 ILE 37 OK 11 71 - 16 - 5272/2.1=2, 5270/1.8=2...(7) HG12 ILE 40 + HG13 ILE 37 OK 11 90 - 13 - 3.8/5432=1, ~5441=1 HB ILE 40 - HG13 ILE 37 poor 8 68 - 11 - 3.0/5432=2, 4.5/769=1...(4) HB VAL 18 - HG13 ILE 37 lone 7 85 - 8 - ~4584=1, ~4587=1 HG12 ILE 27 - HG13 ILE 37 lone 7 100 - 7 - HB3 LYS 61 - HG13 ILE 37 lone 7 100 - 7 - 5272/2.1=1 HD3 LYS 94 - HG13 ILE 37 lone 5 81 - 7 - HD2 LYS 94 - HG13 ILE 37 lone 5 81 - 7 - HD2 LYS 44 - HG13 ILE 37 lone 5 71 - 7 - HD3 LYS 44 - HG13 ILE 37 lone 5 68 - 7 - HG3 ARG 57 - HG13 ILE 37 lone 4 73 - 6 - HG2 ARG 57 - HG13 ILE 37 lone 4 68 - 6 - HD3 LYS 35 - HG13 ILE 37 lone 3 60 - 5 - 5266/4.6=2 HD3 LYS 63 - HG13 ILE 37 lone 3 71 - 4 - HG3 GLN 19 - HG13 ILE 37 lone 2 98 - 2 - Peak 5272 from cnoeabs.peaks (1.67, 0.35, 11.68 ppm; 3.68 A): 1 out of 19 assignments used, quality = 0.92: QB ALA 79 + QD1 ILE 37 OK 92 100 - 93 - 6491=30, 2.1/6487=22...(26) HD2 LYS 61 - QD1 ILE 37 OK 20 90 - 22 - 5270/2.1=2, 3.0/7158=2...(11) HD3 LYS 61 - QD1 ILE 37 OK 20 90 - 22 - 5270/2.1=2, 3.0/7158=2...(11) HB2 MET 50 - QD1 ILE 37 OK 15 92 - 16 - 5662/2.1=4, ~5665=2...(6) HB ILE 40 - QD1 ILE 37 OK 12 89 - 14 - ~5432=2, 5270/2.1=2...(4) HB3 LYS 61 - QD1 ILE 37 OK 11 99 - 11 - 3.0/7158=2, 3.0/7158=2...(5) HG12 ILE 40 - QD1 ILE 37 poor 9 71 - 13 - 4775/5308=2, 5271/2.1=2, ~5441=1 HG3 ARG 57 - QD1 ILE 37 lone 9 92 - 10 - 3.9/5274=3 HG2 ARG 57 - QD1 ILE 37 lone 9 89 - 10 - 3.9/5274=3 HD2 LYS 44 - QD1 ILE 37 lone 8 90 - 9 - 5270/2.1=1 HD3 LYS 94 - QD1 ILE 37 lone 8 96 - 8 - 5270/2.1=1 HD2 LYS 94 - QD1 ILE 37 lone 8 96 - 8 - 5270/2.1=1 HD3 LYS 44 - QD1 ILE 37 lone 8 89 - 9 - HD3 LYS 35 - QD1 ILE 37 lone 7 83 - 8 - 5266/4.5=2, 5240/7079=2 HG12 ILE 27 - QD1 ILE 37 lone 7 99 - 7 - 5271/2.1=1 HB VAL 18 - QD1 ILE 37 lone 6 63 - 10 - ~4584=1, ~4587=1...(5) HG12 ILE 39 - QD1 ILE 37 lone 6 65 - 9 - 4.6/5323=4 HD3 LYS 63 - QD1 ILE 37 lone 6 90 - 6 - 5.0/7079=2 HG3 GLN 19 - QD1 ILE 37 lone 3 87 - 3 - Peak 5274 from cnoeabs.peaks (4.04, 0.35, 11.68 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.55: HA SER 75 + QD1 ILE 37 OK 40 85 - 48 - 5288/3.3=17, 4460/6456=8...(9) HA LYS 41 + QD1 ILE 37 OK 14 83 - 17 - 4.0/7158=5, 6.2/5277=3...(5) HA ARG 57 + QD1 ILE 37 OK 12 89 - 13 - 5288/3.3=4, 5889/4.2=2...(7) Peak 5276 from cnoeabs.peaks (3.42, 0.35, 11.68 ppm; 4.94 A): 3 out of 5 assignments used, quality = 0.95: HB2 PHE 83 + QD1 ILE 37 OK 73 97 - 75 - 2.4/4739=23, ~5312=14...(15) HA ILE 80 + QD1 ILE 37 OK 64 100 - 65 - 3.0/5310=16, 3357=12...(15) HB2 PHE 34 + QD1 ILE 37 OK 49 100 - 49 - 2.4/5309=12, ~5311=11...(11) HB2 PHE 70 - QD1 ILE 37 OK 29 89 - 33 - 5.8/5308=15, 4.4/5307=7...(7) HB2 SER 89 - QD1 ILE 37 lone 3 57 - 5 - Peak 5277 from cnoeabs.peaks (3.09, 0.35, 11.68 ppm; 3.60 A): 3 out of 6 assignments used, quality = 0.93: HB3 TRP 82 + QD1 ILE 37 OK 89 100 - 89 - 6584=33, 1.8/5278=29...(21) HE3 LYS 41 + QD1 ILE 37 OK 21 100 - 21 - 2129/2.1=5, 3.8/7158=3...(6) HB2 TYR 33 + QD1 ILE 37 OK 20 100 - 20 - 5281/2.1=3, 3.0/1950=3...(9) HE3 LYS 77 - QD1 ILE 37 lone 8 100 - 8 - 5.6/6419=2, ~5286=1, 5281/2.1=1 HE2 LYS 77 - QD1 ILE 37 lone 6 85 - 7 - 5.6/6419=2 HB2 ASP 56 - QD1 ILE 37 lone 4 81 - 5 - 1.8/5279=2 Peak 5278 from cnoeabs.peaks (2.54, 0.35, 11.68 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.86: HB2 TRP 82 + QD1 ILE 37 OK 86 100 - 86 - 6582=32, 1.8/6584=26...(19) HB2 ASN 13 - QD1 ILE 37 lone 7 96 - 8 - 5280/2.1=2, 5285/2.1=1 HB3 ASN 43 - QD1 ILE 37 lone 6 97 - 6 - 5280/2.1=2, 5285/2.1=1 HB3 ASN 14 - QD1 ILE 37 lone 5 85 - 6 - 5280/2.1=1 Peak 5279 from cnoeabs.peaks (2.42, 0.35, 11.68 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.83: HG2 GLN 36 + QD1 ILE 37 OK 77 100 - 77 - 7181=27, 1.8/7182=25...(9) HG3 GLN 48 + QD1 ILE 37 OK 25 97 - 25 - 3.5/5310=5, 3.5/5307=5...(9) HB3 ASP 56 - QD1 ILE 37 poor 9 73 - 12 - 1.8/5277=1, 6571/6587=1...(8) HE2 LYS 86 - QD1 ILE 37 poor 7 63 - 11 - 6571/6587=2, 5880/4739=2...(4) Peak 5280 from cnoeabs.peaks (2.54, 1.18, 29.44 ppm; 4.98 A): 1 out of 4 assignments used, quality = 0.95: HB2 TRP 82 + HG13 ILE 37 OK 95 100 - 95 - 5278/2.1=40, 6568=37...(17) HB3 ASN 43 - HG13 ILE 37 OK 13 99 - 13 - 5285/1.8=3, 5278/2.1=3 HB2 ASN 13 - HG13 ILE 37 OK 12 90 - 13 - 5285/1.8=4, 5278/2.1=3 HB3 ASN 14 - HG13 ILE 37 poor 8 76 - 11 - 5278/2.1=2, 5285/1.8=2...(4) Peak 5281 from cnoeabs.peaks (3.09, 1.18, 29.44 ppm; 5.26 A): 1 out of 6 assignments used, quality = 0.96: HB3 TRP 82 + HG13 ILE 37 OK 96 100 - 96 - 6584/2.1=35, ~5278=34...(18) HB2 TYR 33 - HG13 ILE 37 OK 41 100 - 42 - 5277/2.1=7, 5284/1.8=6...(14) HE3 LYS 41 - HG13 ILE 37 OK 39 100 - 39 - 2129=8, 5277/2.1=7...(9) HE3 LYS 77 - HG13 ILE 37 OK 15 100 - 15 - ~5286=3, 5277/2.1=3...(5) HE2 LYS 77 - HG13 ILE 37 OK 11 85 - 13 - ~5277=2, 5284/1.8=2...(5) HB2 ASP 56 - HG13 ILE 37 poor 9 81 - 10 - ~5279=3, 5284/1.8=2...(4) Peak 5282 from cnoeabs.peaks (4.26, 1.36, 29.44 ppm; 3.78 A): 2 out of 8 assignments used, quality = 0.93: HA ALA 79 + HG12 ILE 37 OK 90 99 - 91 - 6487/2.1=23, 5283/1.8=22...(28) HA VAL 68 + HG12 ILE 37 OK 29 92 - 32 - 3.0/908=7, 5283/1.8=6...(9) HA3 GLY 85 - HG12 ILE 37 lone 8 100 - 8 - 5283/1.8=2, 6654/3.0=1 HA LYS 63 - HG12 ILE 37 lone 7 97 - 7 - 5283/1.8=3 HA3 GLY 64 - HG12 ILE 37 lone 7 81 - 8 - 5988/1.8=2, ~5984=2, ~5989=2 HD2 PRO 73 - HG12 ILE 37 lone 6 93 - 6 - 5283/1.8=2 HA LYS 45 - HG12 ILE 37 lone 4 89 - 4 - HA GLU 58 - HG12 ILE 37 lone 2 100 - 2 - Peak 5283 from cnoeabs.peaks (4.27, 1.18, 29.44 ppm; 3.63 A): 3 out of 8 assignments used, quality = 0.93: HA ALA 79 + HG13 ILE 37 OK 90 100 - 90 - 6478=27, 6487/2.1=22...(28) HA VAL 68 + HG13 ILE 37 OK 24 73 - 33 - 3.0/6112=7, 5282/1.8=6...(10) HA LYS 63 + HG13 ILE 37 OK 10 100 - 10 - 7079/2.1=2, 3.6/5989=2...(5) HA3 GLY 85 - HG13 ILE 37 lone 7 99 - 7 - 5282/1.8=2, 6654/3.0=1 HD2 PRO 73 - HG13 ILE 37 lone 7 100 - 7 - 7079/2.1=2, 5282/1.8=1 HA3 GLY 64 - HG13 ILE 37 lone 5 57 - 9 - 3.0/5989=2, 5282/1.8=2 HA LYS 45 - HG13 ILE 37 lone 3 68 - 4 - 3.6/5311=1 HA GLU 58 - HG13 ILE 37 lone 2 100 - 2 - Peak 5284 from cnoeabs.peaks (3.08, 1.36, 29.44 ppm; 5.74 A): 2 out of 6 assignments used, quality = 0.94: HB3 TRP 82 + HG12 ILE 37 OK 91 95 - 97 - ~5278=37, 6584/2.1=33...(17) HB2 TYR 33 + HG12 ILE 37 OK 37 96 - 39 - 5281/1.8=9, 5277/2.1=7...(11) HE3 LYS 41 - HG12 ILE 37 OK 33 97 - 34 - 2129/1.8=9, ~5286=8...(8) HE3 LYS 77 - HG12 ILE 37 OK 15 98 - 16 - ~5286=3, 5281/1.8=3...(5) HE2 LYS 77 - HG12 ILE 37 OK 14 97 - 14 - ~5281=3, ~5277=3...(5) HB2 ASP 56 - HG12 ILE 37 OK 11 96 - 12 - ~5279=3, ~6682=2...(4) Peak 5285 from cnoeabs.peaks (2.54, 1.36, 29.44 ppm; 5.61 A): 1 out of 4 assignments used, quality = 0.96: HB2 TRP 82 + HG12 ILE 37 OK 96 100 - 96 - 5278/2.1=41, 6568/1.8=36...(16) HB2 ASN 13 - HG12 ILE 37 OK 14 96 - 15 - 5280/1.8=4, 5278/2.1=4 HB3 ASN 43 - HG12 ILE 37 OK 12 97 - 12 - 5280/1.8=5, 5278/2.1=3 HB3 ASN 14 - HG12 ILE 37 poor 9 85 - 10 - 5280/1.8=3, 5278/2.1=2 Peak 5286 from cnoeabs.peaks (3.05, 0.85, 19.06 ppm; 4.09 A): 4 out of 10 assignments used, quality = 0.65: HB2 SER 75 + QG2 ILE 37 OK 39 87 - 46 - 3.0/5288=15, 6365=9...(7) HE2 LYS 41 + QG2 ILE 37 OK 24 100 - 24 - 2119/3.2=4, ~2129=3...(7) HE2 LYS 61 + QG2 ILE 37 OK 16 76 - 21 - 2.9/5269=3, 2.9/5269=3...(8) HE2 LYS 77 + QG2 ILE 37 OK 10 89 - 12 - 5.6/6418=2, 6447/7159=2...(5) HB2 SER 75 - QG2 ILE 16 poor 7 43 - 17 - 4.6/5302=5, 3.0/5288=4...(5) HB2 ASP 56 - QG2 ILE 37 lone 5 92 - 6 - ~6682=1, ~5279=1 HE2 LYS 41 - QG2 ILE 16 lone 5 55 - 9 - 2119/3.2=1, 4.8/5462=1 HE2 LYS 77 - QG2 ILE 16 lone 3 44 - 6 - 5.6/6418=2, 6.8/6416=2 HE2 LYS 61 - QG2 ILE 16 lone 2 36 - 5 - HB2 ASP 56 - QG2 ILE 16 lone 2 47 - 3 - 4.0/5887=1 Peak 5287 from cnoeabs.peaks (3.90, 0.85, 19.06 ppm; 4.15 A): 5 out of 12 assignments used, quality = 0.87: HA2 GLY 38 + QG2 ILE 37 OK 68 89 - 77 - 3.0/153=19, 5333/4.0=13...(15) HB3 SER 75 + QG2 ILE 37 OK 39 85 - 46 - 3.0/5288=16, 1.8/5286=13...(6) HA2 GLY 38 + QG2 ILE 16 OK 14 44 - 31 - 3.0/153=6, 5342/3.2=5...(10) HA ALA 31 + QG2 ILE 37 OK 12 95 - 13 - 3.0/107=1, 3.6/5116=1...(4) HA2 GLY 85 + QG2 ILE 16 OK 11 37 - 30 - 6645/3.2=6, ~6644=6...(9) HD3 PRO 73 - QG2 ILE 37 lone 8 76 - 10 - ~7079=3, 1.8/5290=2 HB3 SER 75 - QG2 ILE 16 poor 8 41 - 18 - 4.6/5302=5, 3.0/5288=4...(6) HA ALA 31 - QG2 ILE 16 poor 7 49 - 15 - ~4601=2, 7072=2...(6) HA2 GLY 85 - QG2 ILE 37 lone 7 78 - 9 - 1.8/5290=1, ~6654=1...(5) HD3 PRO 73 - QG2 ILE 16 lone 1 36 - 3 - HD3 PRO 92 - QG2 ILE 37 lone 1 63 - 1 - HD3 PRO 92 - QG2 ILE 16 lone 0 28 - 1 - Peak 5288 from cnoeabs.peaks (4.02, 0.85, 19.06 ppm; 4.19 A): 4 out of 8 assignments used, quality = 0.71: HA SER 75 + QG2 ILE 37 OK 57 100 - 57 - 6364=16, 5274/3.3=12...(10) HA SER 75 + QG2 ILE 16 OK 13 55 - 24 - 3.6/5302=6, 6364=5...(8) HB2 SER 29 + QG2 ILE 37 OK 12 89 - 14 - 1.8/5035=4, 5031=2...(6) HA ARG 57 + QG2 ILE 37 OK 12 100 - 12 - 5274/3.3=4, 5889/3.2=2 HB2 SER 29 - QG2 ILE 16 poor 6 44 - 14 - 1.8/5035=3, 5031=2...(7) HB3 SER 89 - QG2 ILE 37 lone 3 65 - 4 - HA ARG 57 - QG2 ILE 16 lone 2 56 - 3 - HB3 SER 89 - QG2 ILE 16 lone 1 30 - 4 - Peak 5290 from cnoeabs.peaks (4.29, 0.85, 19.06 ppm; 3.47 A): 3 out of 14 assignments used, quality = 0.82: HA ALA 79 + QG2 ILE 37 OK 71 89 - 81 - 6487/3.3=13, 6486=13...(25) HA ALA 79 + QG2 ILE 16 OK 26 44 - 58 - 6488/3.1=13, ~6493=10...(14) HA ASP 81 + QG2 ILE 37 OK 14 60 - 24 - 7079/3.3=12, 3.6/6577=4...(5) HA ASP 32 - QG2 ILE 37 poor 10 87 - 11 - 7079/3.3=3, 3.6/5164=2, 5122=1 HA LYS 63 - QG2 ILE 37 lone 8 93 - 9 - 7079/3.3=3, 3.0/286=2 HA3 GLY 85 - QG2 ILE 16 poor 7 37 - 20 - ~6645=4, 6644/3.2=4...(8) HD2 PRO 73 - QG2 ILE 37 lone 7 97 - 7 - 7079/3.3=3, 1.8/5287=1 HA3 GLY 85 - QG2 ILE 37 lone 5 78 - 6 - 1.8/5287=1 HA GLU 58 - QG2 ILE 16 lone 3 40 - 7 - ~5900=2, ~5899=2, ~5901=2 HA LYS 63 - QG2 ILE 16 lone 2 48 - 4 - 3.0/286=1 HA ASP 32 - QG2 ILE 16 lone 2 43 - 4 - HA ASP 81 - QG2 ILE 16 lone 1 27 - 6 - 3.0/368=2, 3.6/6577=1 HA GLU 58 - QG2 ILE 37 lone 1 83 - 2 - HD2 PRO 73 - QG2 ILE 16 lone 1 52 - 2 - Peak 5297 from cnoeabs.peaks (6.98, 4.23, 58.08 ppm; 4.90 A): 3 out of 16 assignments used, quality = 0.94: QE PHE 83 + HA ILE 37 OK 73 99 - 74 - 5307/4.2=12, 5300/3.2=12...(18) QE PHE 70 + HA ILE 37 OK 61 99 - 62 - 5330/3.6=11, ~5301=11...(14) HZ PHE 88 + HA ILE 37 OK 47 100 - 48 - 5294/3.0=9, 4852/3.2=7...(8) HZ PHE 83 - HA ILE 37 OK 33 63 - 53 - 4808/3.0=9, 4863/4.0=8...(15) HE22 GLN 48 - HA ILE 37 OK 31 100 - 31 - 5294/3.0=6, 5307/4.2=4...(10) QE PHE 88 - HA ILE 37 OK 19 65 - 30 - ~5294=6, ~4852=5...(9) HD21 ASN 52 - HA ILE 37 OK 14 97 - 14 - 5294/3.0=4, 5330/3.6=2...(6) HD21 ASN 24 - HA ILE 37 lone 8 85 - 9 - 5294/3.0=2, 5330/3.6=1 QE PHE 83 - HA LYS 45 lone 4 74 - 5 - 4812/3.6=1 QE PHE 70 - HA LYS 45 lone 2 74 - 3 - HZ PHE 88 - HA LYS 45 lone 2 76 - 2 - HE22 GLN 48 - HA LYS 45 lone 1 77 - 2 - HD21 ASN 52 - HA LYS 45 lone 1 72 - 2 - HZ PHE 83 - HA LYS 45 lone 1 41 - 2 - QE PHE 88 - HA LYS 45 lone 1 43 - 2 - HD21 ASN 24 - HA LYS 45 lone 1 59 - 1 - Peak 5298 from cnoeabs.peaks (6.12, 4.23, 58.08 ppm; 5.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5299 from cnoeabs.peaks (6.99, 1.85, 40.08 ppm; 3.56 A): 4 out of 18 assignments used, quality = 0.93: QE PHE 83 + HB ILE 37 OK 74 97 - 76 - 2.2/7202=11, 5300/2.1=9...(23) HZ PHE 88 + HB ILE 37 OK 42 93 - 45 - 2.2/7202=7, 4852/2.1=6...(13) QE PHE 70 + HB ILE 37 OK 35 68 - 51 - ~5301=8, ~5308=8...(16) QE PHE 83 + HB ILE 16 OK 29 58 - 50 - 4838/3.2=9, 2.2/4808=7...(14) QE PHE 70 - HB ILE 16 OK 25 36 - 71 - ~4779=13, ~4625=11...(17) HE22 GLN 48 - HB ILE 37 OK 22 92 - 24 - 5307/3.2=3, 5304/3.0=3...(12) HZ PHE 88 - HB ILE 16 OK 15 54 - 28 - 4852/2.1=4, 4631/3.0=4...(11) HD21 ASN 52 - HB ILE 37 lone 8 99 - 8 - 5294/3.9=2, 5306/3.0=1 QE PHE 17 - HB ILE 16 poor 7 45 - 15 - 6.5/27=5, 4786=2...(6) HD21 ASN 24 - HB ILE 37 lone 5 100 - 5 - HE22 GLN 48 - HB ILE 16 lone 5 52 - 9 - 4613/4.0=1, 4631/3.0=1...(4) QE PHE 17 - HB ILE 37 lone 4 83 - 5 - HD21 ASN 13 - HB ILE 37 lone 3 71 - 4 - 4507/4.4=1 HE22 GLN 19 - HB ILE 37 lone 3 92 - 3 - HD21 ASN 52 - HB ILE 16 lone 2 60 - 4 - HD21 ASN 13 - HB ILE 16 lone 2 37 - 6 - ~4519=1, 4517/3.0=1 HD21 ASN 24 - HB ILE 16 lone 2 63 - 2 - HE22 GLN 19 - HB ILE 16 lone 1 52 - 2 - Peak 5300 from cnoeabs.peaks (6.98, 0.85, 19.06 ppm; 3.10 A): 5 out of 14 assignments used, quality = 0.93: QE PHE 83 + QG2 ILE 37 OK 66 100 - 66 - 2.2/5303=8, 5307/3.3=7...(24) QE PHE 70 + QG2 ILE 37 OK 39 95 - 42 - 2.2/5301=10, ~5308=5...(12) HZ PHE 88 + QG2 ILE 37 OK 39 100 - 39 - 4852=7, 5307/3.3=4...(12) QE PHE 70 + QG2 ILE 16 OK 29 49 - 59 - 4720/3.1=10, ~4779=9...(16) QE PHE 83 + QG2 ILE 16 OK 23 56 - 41 - 4838/3.1=7, 4631/3.2=4...(12) HE22 GLN 48 - QG2 ILE 37 OK 19 100 - 19 - 5307/3.3=2, 1.7/5303=2...(11) HZ PHE 88 - QG2 ILE 16 OK 14 56 - 26 - 4852=5, 4633/3.1=3...(8) HD21 ASN 52 - QG2 ILE 37 lone 7 100 - 7 - 5294/4.0=1 HE22 GLN 48 - QG2 ILE 16 lone 4 56 - 8 - 4633/3.1=1 HD21 ASN 24 - QG2 ILE 37 lone 4 93 - 4 - HD21 ASN 52 - QG2 ILE 16 lone 2 55 - 4 - HE22 GLN 19 - QG2 ILE 37 lone 2 63 - 2 - HD21 ASN 24 - QG2 ILE 16 lone 1 48 - 2 - HE22 GLN 19 - QG2 ILE 16 lone 0 28 - 1 - Peak 5301 from cnoeabs.peaks (6.83, 0.85, 19.06 ppm; 3.75 A): 3 out of 6 assignments used, quality = 0.71: HZ PHE 70 + QG2 ILE 37 OK 50 96 - 52 - 5308/3.3=14, 7160/2.1=8...(17) HZ PHE 70 + QG2 ILE 16 OK 35 50 - 71 - 4779/3.1=26, 4777=10...(22) H VAL 25 + QG2 ILE 37 OK 11 99 - 11 - 5308/3.3=3, 7160/2.1=2 H VAL 25 - QG2 ILE 16 poor 7 54 - 13 - 4632/3.1=3, 4891/3.2=2...(5) QE TYR 54 - QG2 ILE 37 lone 6 95 - 7 - 5308/3.3=2, 7160/2.1=1 QE TYR 54 - QG2 ILE 16 lone 4 49 - 9 - 4632/3.1=2 Peak 5302 from cnoeabs.peaks (7.45, 0.85, 19.06 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.86: H ALA 76 + QG2 ILE 37 OK 51 100 - 52 - 3.6/5288=13, 5311/3.2=8...(15) QD PHE 34 + QG2 ILE 37 OK 42 87 - 48 - 3.8/7203=12, 5311/3.2=8...(13) H ALA 76 + QG2 ILE 16 OK 35 56 - 64 - 2.9/6384=11, 3.0/6382=11...(15) QD PHE 34 + QG2 ILE 16 OK 26 43 - 61 - 3.8/7203=12, ~4632=11...(17) H THR 46 - QG2 ILE 37 lone 5 73 - 7 - 5311/3.2=2 H THR 46 - QG2 ILE 16 lone 1 34 - 4 - Peak 5303 from cnoeabs.peaks (7.56, 0.85, 19.06 ppm; 3.75 A): 4 out of 6 assignments used, quality = 0.94: QD PHE 83 + QG2 ILE 37 OK 70 100 - 71 - 4739/3.3=12, 2.2/5300=11...(26) H ILE 80 + QG2 ILE 37 OK 61 97 - 63 - 3.6/5290=12, 959/3.3=11...(16) QD PHE 83 + QG2 ILE 16 OK 30 56 - 55 - 4636/3.1=9, ~4838=6...(20) H ILE 80 + QG2 ILE 16 OK 25 51 - 49 - 6497/3.1=9, 957=8...(15) HE21 GLN 48 - QG2 ILE 37 OK 19 81 - 23 - 1.7/5300=4, 5310/3.3=4...(9) HE21 GLN 48 - QG2 ILE 16 lone 4 39 - 9 - 4636/3.1=1 Peak 5304 from cnoeabs.peaks (6.99, 1.36, 29.44 ppm; 4.10 A): 3 out of 9 assignments used, quality = 0.96: QE PHE 83 + HG12 ILE 37 OK 86 99 - 87 - 2.2/7199=15, 5307/2.1=15...(24) HZ PHE 88 + HG12 ILE 37 OK 53 96 - 56 - 2.2/7199=11, 5307/2.1=9...(13) QE PHE 70 + HG12 ILE 37 OK 40 73 - 55 - ~5308=14, 5307/2.1=8...(16) HE22 GLN 48 - HG12 ILE 37 OK 30 95 - 32 - 5307/2.1=5, 5306/1.8=5...(11) HD21 ASN 52 - HG12 ILE 37 lone 10 99 - 10 - 5294/4.6=2, 5306/1.8=2...(5) HD21 ASN 24 - HG12 ILE 37 lone 7 100 - 6 - 5306/1.8=1, 5307/2.1=1 HD21 ASN 13 - HG12 ILE 37 lone 4 65 - 6 - 3.5/5285=2 HE22 GLN 19 - HG12 ILE 37 lone 4 89 - 4 - QE PHE 17 - HG12 ILE 37 lone 4 78 - 4 - Peak 5305 from cnoeabs.peaks (7.56, 1.36, 29.44 ppm; 4.73 A): 2 out of 3 assignments used, quality = 0.96: QD PHE 83 + HG12 ILE 37 OK 87 100 - 87 - 4739/2.1=23, 5312/1.8=20...(26) H ILE 80 + HG12 ILE 37 OK 69 97 - 71 - 3.6/5282=21, 5310/2.1=18...(12) HE21 GLN 48 - HG12 ILE 37 OK 27 81 - 33 - 5310/2.1=6, 1.7/5304=6...(8) Peak 5306 from cnoeabs.peaks (6.99, 1.18, 29.44 ppm; 3.96 A): 3 out of 9 assignments used, quality = 0.95: QE PHE 83 + HG13 ILE 37 OK 84 97 - 86 - 2.2/7200=15, 2.2/5312=14...(26) HZ PHE 88 + HG13 ILE 37 OK 49 93 - 53 - 2.2/7200=11, 5307/2.1=8...(12) QE PHE 70 + HG13 ILE 37 OK 38 68 - 56 - ~5308=13, 5307/2.1=7...(18) HE22 GLN 48 - HG13 ILE 37 OK 28 92 - 30 - 5307/2.1=5, 5304/1.8=5...(10) HD21 ASN 52 - HG13 ILE 37 lone 10 99 - 9 - 5294/4.6=2, 5304/1.8=2 HD21 ASN 24 - HG13 ILE 37 lone 7 100 - 6 - 5304/1.8=1, 5307/2.1=1 QE PHE 17 - HG13 ILE 37 lone 6 83 - 7 - 5.6/4667=2 HD21 ASN 13 - HG13 ILE 37 lone 5 71 - 8 - 3.5/5280=2 HE22 GLN 19 - HG13 ILE 37 lone 4 92 - 5 - Peak 5307 from cnoeabs.peaks (6.99, 0.35, 11.68 ppm; 3.61 A): 3 out of 8 assignments used, quality = 0.95: QE PHE 83 + QD1 ILE 37 OK 82 100 - 82 - 2.2/7201=17, 2.2/4739=13...(30) HZ PHE 88 + QD1 ILE 37 OK 49 100 - 49 - 2.2/7201=11, 5304/2.1=6...(14) QE PHE 70 + QD1 ILE 37 OK 44 89 - 50 - 2.2/5308=14, ~5301=6...(18) HE22 GLN 48 - QD1 ILE 37 OK 29 99 - 29 - 1.7/5310=4, 3.5/5279=4...(10) HD21 ASN 52 - QD1 ILE 37 lone 9 100 - 9 - 5294/4.5=1, 5306/2.1=1 HD21 ASN 24 - QD1 ILE 37 lone 6 97 - 6 - HE22 GLN 19 - QD1 ILE 37 lone 3 73 - 5 - QE PHE 17 - QD1 ILE 37 lone 3 60 - 4 - Peak 5308 from cnoeabs.peaks (6.83, 0.35, 11.68 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.68: HZ PHE 70 + QD1 ILE 37 OK 63 99 - 64 - 5301/3.3=17, 7160/3.2=12...(19) H VAL 25 + QD1 ILE 37 OK 15 96 - 15 - 5301/3.3=4, 7160/3.2=3...(4) QE TYR 54 - QD1 ILE 37 lone 7 87 - 8 - 5301/3.3=2, 7160/3.2=2 Peak 5309 from cnoeabs.peaks (7.41, 0.35, 11.68 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.71: HE3 TRP 82 + QD1 ILE 37 OK 61 92 - 66 - 4.2/5278=22, 4.2/6584=19...(9) QD PHE 34 + QD1 ILE 37 OK 27 76 - 36 - 2.4/5276=6, 4856/5308=5...(15) H THR 46 - QD1 ILE 37 lone 8 89 - 8 - 3.6/1920=2, 202/6456=1 Peak 5310 from cnoeabs.peaks (7.56, 0.35, 11.68 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.97: QD PHE 83 + QD1 ILE 37 OK 85 99 - 86 - 4739=20, 3.8/7201=15...(34) H ILE 80 + QD1 ILE 37 OK 76 99 - 77 - 3.6/6487=19, 3.7/6491=18...(20) HE21 GLN 48 - QD1 ILE 37 OK 27 89 - 30 - 1.7/5307=6, 3.5/5279=5...(11) Peak 5311 from cnoeabs.peaks (7.44, 1.18, 29.44 ppm; 5.28 A): 3 out of 3 assignments used, quality = 0.74: QD PHE 34 + HG13 ILE 37 OK 48 95 - 51 - 5302/3.2=11, ~5276=6...(20) H ALA 76 + HG13 ILE 37 OK 45 100 - 45 - 5302/3.2=14, 6468/5322=8...(10) H THR 46 + HG13 ILE 37 OK 10 85 - 12 - 6430/6454=2, 3.6/1943=2 Peak 5312 from cnoeabs.peaks (7.55, 1.18, 29.44 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.94: QD PHE 83 + HG13 ILE 37 OK 85 99 - 86 - 4739/2.1=22, 5305/1.8=18...(25) H ILE 80 + HG13 ILE 37 OK 61 83 - 74 - 3.6/5283=22, 5310/2.1=15...(14) H TYR 33 - HG13 ILE 37 OK 20 78 - 26 - 4.0/5281=5, 3.0/1943=4...(10) Peak 5313 from cnoeabs.peaks (7.52, 1.85, 40.08 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.73: H GLN 36 + HB ILE 37 OK 63 87 - 73 - 142/3.9=32, 5331/4.4=22...(8) H TYR 33 + HB ILE 37 OK 28 99 - 28 - 5331/4.4=6, 5164/2.1=6...(11) H GLN 36 - HB ILE 16 poor 8 48 - 16 - 4.6/744=4, 5331/152=2...(7) H TYR 33 - HB ILE 16 lone 5 61 - 8 - 5164/2.1=2, 5139/4808=1 Peak 5315 from cnoeabs.peaks (5.27, 0.35, 11.68 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.88: HD1 TRP 82 + QD1 ILE 37 OK 86 99 - 87 - 4729=35, 3.9/5278=22...(18) HA SER 69 + QD1 ILE 37 OK 12 63 - 18 - 5316/2.1=5, ~6181=3...(7) Peak 5316 from cnoeabs.peaks (5.27, 1.18, 29.44 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.86: HD1 TRP 82 + HG13 ILE 37 OK 82 99 - 83 - 5315/2.1=42, 3.9/6568=23...(13) HA SER 69 + HG13 ILE 37 OK 22 63 - 35 - 3.0/6181=6, 5315/2.1=6...(10) Peak 5318 from cnoeabs.peaks (8.12, 0.85, 19.06 ppm; 3.57 A): 4 out of 8 assignments used, quality = 0.95: H ALA 79 + QG2 ILE 37 OK 85 100 - 85 - 6480=16, 5323/3.3=13...(30) H ILE 39 + QG2 ILE 37 OK 37 99 - 37 - 157/4.4=12, 3.6/5287=8...(7) H ALA 79 + QG2 ILE 16 OK 35 56 - 62 - 6482/3.1=11, ~6488=8...(20) H GLU 23 + QG2 ILE 37 OK 13 99 - 12 - 5323/3.3=2, 5322/3.2=2...(4) H ILE 39 - QG2 ILE 16 poor 10 55 - 18 - 757/3.2=4, 4.6/153=3...(6) H GLU 23 - QG2 ILE 16 lone 4 54 - 7 - H ASN 13 - QG2 ILE 37 lone 1 60 - 2 - H ASN 13 - QG2 ILE 16 lone 1 27 - 5 - 4637/4.0=1 Peak 5319 from cnoeabs.peaks (8.48, 0.85, 19.06 ppm; 4.41 A): 4 out of 18 assignments used, quality = 0.94: H PHE 83 + QG2 ILE 37 OK 56 100 - 56 - 5324/3.3=9, 4.4/5303=9...(17) H TRP 82 + QG2 ILE 37 OK 55 92 - 60 - 6578/3.3=15, 6577=11...(18) H ALA 98 + QG2 ILE 37 OK 49 100 - 48 - 7017=9, 7010/2.1=7...(11) H ALA 98 + QG2 ILE 16 OK 45 55 - 82 - 6996/3.2=32, 6983/4.4=26...(12) H LEU 21 - QG2 ILE 37 OK 21 97 - 21 - 4813=3, 4.0/1933=2...(7) H LEU 21 - QG2 ILE 16 OK 20 52 - 39 - 4813=6, 4639/3.2=6...(12) H PHE 83 - QG2 ILE 16 OK 20 56 - 35 - 6609=5, 4.4/5303=4...(14) H THR 15 - QG2 ILE 16 OK 18 36 - 52 - ~4616=13, 3.0/4564=10...(11) H THR 42 - QG2 ILE 37 OK 18 99 - 18 - 177/3.2=2, 5324/3.3=2...(6) H ASP 72 - QG2 ILE 37 OK 17 100 - 17 - 5324/3.3=2, 6577=1...(4) H THR 15 - QG2 ILE 37 OK 12 76 - 15 - 4540/4.4=4, 3.0/4564=2...(4) H TRP 82 - QG2 ILE 16 OK 12 47 - 25 - 6577=3, 4.6/6609=3...(10) H THR 42 - QG2 ILE 16 OK 11 54 - 20 - 1094/4.0=3, 177/3.2=2...(7) H ASP 71 - QG2 ILE 37 OK 10 63 - 17 - 4.6/6233=3, 4.4/4717=2...(6) H ASP 71 - QG2 ILE 16 poor 7 28 - 26 - 4.4/4625=5, 4.6/6233=4...(9) H ASP 72 - QG2 ILE 16 poor 7 56 - 12 - 4649/4.4=2, 6300/4625=1...(4) H ILE 93 - QG2 ILE 37 lone 6 78 - 7 - H ILE 93 - QG2 ILE 16 lone 3 37 - 9 - 4639/3.2=1 Peak 5320 from cnoeabs.peaks (8.93, 0.83, 18.73 ppm; 4.68 A): 3 out of 10 assignments used, quality = 0.97: H SER 96 + QG2 ILE 16 OK 79 99 - 79 - 6931/4.4=31, 6935/3.2=19...(15) H VAL 18 + QG2 ILE 16 OK 72 100 - 72 - 3.9/4587=29, 4.6/4049=24...(14) H ALA 66 + QG2 ILE 16 OK 57 93 - 62 - 6033/4587=10, 4640/2.1=7...(20) H PHE 70 - QG2 ILE 16 OK 38 63 - 60 - 4.6/4625=18, 6216/4.0=12...(17) H ASP 56 - QG2 ILE 16 OK 19 99 - 19 - 5884/2.1=3, 5887=3...(7) H SER 96 - QG2 ILE 37 OK 13 55 - 24 - 6941/2.1=4, 6945/3.3=2...(12) H VAL 18 - QG2 ILE 37 poor 9 56 - 16 - 3.9/4587=4, 4.6/4049=3...(4) H PHE 70 - QG2 ILE 37 poor 8 28 - 29 - 4.6/4625=5, 4.6/6199=4...(11) H ALA 66 - QG2 ILE 37 poor 6 48 - 13 - 2.9/6026=1, 6033/4587=1, 5887=1 H ASP 56 - QG2 ILE 37 lone 5 53 - 10 - 4.1/5870=2, 5887=2, 5884/2.1=1 Peak 5321 from cnoeabs.peaks (8.13, 1.36, 29.44 ppm; 5.14 A): 2 out of 3 assignments used, quality = 0.98: H ALA 79 + HG12 ILE 37 OK 96 99 - 97 - 5323/2.1=30, 5322/1.8=28...(25) H ILE 39 + HG12 ILE 37 OK 46 96 - 48 - 4.6/154=22, 5322/1.8=12...(5) H GLU 23 - HG12 ILE 37 OK 17 95 - 18 - 5322/1.8=5, 5323/2.1=5...(4) Peak 5322 from cnoeabs.peaks (8.12, 1.18, 29.44 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.97: H ALA 79 + HG13 ILE 37 OK 97 100 - 97 - 5323/2.1=27, 6479=26...(27) H ILE 39 - HG13 ILE 37 OK 41 99 - 42 - 4.6/155=16, 5323/2.1=10...(6) H GLU 23 - HG13 ILE 37 OK 18 98 - 17 - 5323/2.1=4, 5321/1.8=4...(4) Peak 5323 from cnoeabs.peaks (8.12, 0.35, 11.68 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.97: H ALA 79 + QD1 ILE 37 OK 97 100 - 97 - 6481=31, 3.0/6487=24...(31) H ILE 39 - QD1 ILE 37 OK 37 99 - 38 - 4.6/156=15, 5322/2.1=8...(6) H GLU 23 - QD1 ILE 37 OK 15 98 - 15 - 5322/2.1=4, 5321/2.1=3...(4) Peak 5324 from cnoeabs.peaks (8.49, 0.35, 11.68 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.96: H TRP 82 + QD1 ILE 37 OK 84 99 - 85 - 6578=25, 4.0/5278=23...(20) H PHE 83 + QD1 ILE 37 OK 74 98 - 75 - 4.3/5278=21, 4.3/6584=18...(21) H ALA 98 - QD1 ILE 37 OK 35 95 - 37 - 7012/2.1=6, 4.6/1949=6...(8) H ASP 72 - QD1 ILE 37 OK 16 97 - 16 - 4.8/7079=3, 6578=2...(4) H THR 42 - QD1 ILE 37 OK 15 90 - 16 - 3.6/5274=5, 177/2.1=2...(4) H LEU 21 - QD1 ILE 37 OK 10 85 - 12 - 4813/3.3=1 Peak 5325 from cnoeabs.peaks (7.06, 4.08, 44.58 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.75: QD PHE 70 + HA3 GLY 38 OK 68 98 - 70 - 5329/3.0=22, 5327/1.8=22...(12) HZ3 TRP 82 + HA3 GLY 38 OK 12 76 - 15 - 5329/3.0=5, 5327/1.8=4 HZ PHE 17 + HA3 GLY 38 OK 11 68 - 15 - 5327/1.8=4, 5329/3.0=4...(4) HD22 ASN 91 - HA3 GLY 38 poor 9 63 - 14 - 5327/1.8=4, 5329/3.0=4 Peak 5326 from cnoeabs.peaks (6.99, 4.08, 44.58 ppm; 4.81 A): 3 out of 9 assignments used, quality = 0.70: QE PHE 70 + HA3 GLY 38 OK 45 73 - 62 - 2.2/5325=25, ~5327=17...(7) HZ PHE 88 + HA3 GLY 38 OK 31 96 - 33 - 4848=11, 5330/3.0=7...(7) QE PHE 83 + HA3 GLY 38 OK 19 99 - 20 - 5330/3.0=7, 5294/5334=3...(6) QE PHE 17 - HA3 GLY 38 poor 9 78 - 12 - 2.2/5325=4, ~5327=3, ~5329=2 HE22 GLN 48 - HA3 GLY 38 lone 7 95 - 7 - 5330/3.0=3, 5294/5334=1 HD21 ASN 52 - HA3 GLY 38 lone 6 99 - 5 - 5330/3.0=2 HD21 ASN 24 - HA3 GLY 38 lone 5 100 - 5 - 5330/3.0=2, ~4506=1 HD21 ASN 13 - HA3 GLY 38 lone 4 65 - 5 - 4507/3.0=3 HE22 GLN 19 - HA3 GLY 38 lone 1 89 - 2 - Peak 5327 from cnoeabs.peaks (7.05, 3.92, 44.58 ppm; 4.69 A): 4 out of 5 assignments used, quality = 0.81: QD PHE 70 + HA2 GLY 38 OK 70 100 - 71 - 5325/1.8=22, 5329/3.0=21...(11) HZ3 TRP 82 + HA2 GLY 38 OK 14 98 - 14 - 5329/3.0=5, 5325/1.8=4 HD22 ASN 91 + HA2 GLY 38 OK 14 93 - 14 - 5329/3.0=3, 5376/3.6=3...(5) HZ PHE 17 + HA2 GLY 38 OK 13 96 - 13 - 5325/1.8=4, 5329/3.0=3...(4) HD21 ASN 13 - HA2 GLY 38 lone 3 65 - 4 - 4507/3.0=3 Peak 5328 from cnoeabs.peaks (6.96, 3.92, 44.58 ppm; 4.84 A): 5 out of 7 assignments used, quality = 0.83: QE PHE 70 + HA2 GLY 38 OK 59 100 - 60 - 2.2/5327=24, ~5325=19...(7) HZ PHE 88 + HA2 GLY 38 OK 25 90 - 28 - 4848/1.8=10, 5330/3.0=7...(6) QE PHE 88 + HA2 GLY 38 OK 25 92 - 27 - ~4848=8, ~5326=7...(5) QE PHE 83 + HA2 GLY 38 OK 15 83 - 18 - 5330/3.0=7, 5294/5333=2...(5) HZ PHE 83 + HA2 GLY 38 OK 14 90 - 15 - ~5330=5, ~5326=4...(5) HE22 GLN 48 - HA2 GLY 38 lone 7 92 - 8 - 5330/3.0=3, 5294/5333=1 HD21 ASN 52 - HA2 GLY 38 lone 4 78 - 5 - 5330/3.0=2 Peak 5333 from cnoeabs.peaks (7.83, 3.92, 44.58 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.67: H ILE 37 + HA2 GLY 38 OK 59 96 - 62 - 150/3.0=37, 5334/1.8=21...(5) H THR 99 + HA2 GLY 38 OK 19 96 - 20 - 150/3.0=9, 5334/1.8=8 Peak 5334 from cnoeabs.peaks (7.81, 4.08, 44.58 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.72: H ILE 37 + HA3 GLY 38 OK 63 99 - 64 - 150/3.0=39, 5333/1.8=23...(5) H THR 99 + HA3 GLY 38 OK 23 99 - 23 - 150/3.0=10, 5333/1.8=7...(4) Peak 5339 from cnoeabs.peaks (3.04, 3.92, 44.58 ppm; 4.50 A): 7 out of 8 assignments used, quality = 0.70: HE2 LYS 61 + HA2 GLY 38 OK 23 98 - 23 - 5344/1.8=7, 5363/3.6=6...(8) HB2 SER 75 + HA2 GLY 38 OK 19 100 - 20 - 5363/3.6=7, 5344/1.8=6...(4) HE2 LYS 41 + HA2 GLY 38 OK 16 98 - 17 - 5344/1.8=6, 5363/3.6=5...(5) HE3 LYS 44 + HA2 GLY 38 OK 15 76 - 20 - 5344/1.8=5, ~5344=3...(8) HE2 LYS 44 + HA2 GLY 38 OK 15 73 - 20 - 5344/1.8=5, ~5344=3...(8) HE3 LYS 35 + HA2 GLY 38 OK 11 81 - 14 - 5344/1.8=4, ~5344=3...(6) HE2 LYS 35 + HA2 GLY 38 OK 11 81 - 14 - 5344/1.8=4, ~5344=3...(6) HB2 ASP 56 - HA2 GLY 38 lone 3 60 - 6 - ~5881=2, 5363/3.6=1, 5344/1.8=1 Peak 5340 from cnoeabs.peaks (1.83, 3.92, 44.58 ppm; 4.82 A): 2 out of 12 assignments used, quality = 0.96: HB ILE 39 + HA2 GLY 38 OK 86 95 - 91 - 3.9/158=34, 5365=25...(15) HB ILE 37 + HA2 GLY 38 OK 70 83 - 85 - 3.9/5333=20, 152/3.0=19...(14) HB ILE 16 - HA2 GLY 38 OK 29 76 - 39 - 3.0/5342=9, 152/3.0=6...(9) HB2 LYS 61 - HA2 GLY 38 OK 18 100 - 18 - 5.0/5339=5, 5345/1.8=2...(6) HB2 LYS 44 - HA2 GLY 38 OK 14 71 - 19 - 4.8/5339=3, 4.8/5339=3...(8) HB3 LYS 44 - HA2 GLY 38 OK 12 63 - 19 - 4.8/5339=3, 4.8/5339=3...(8) HB2 LYS 94 - HA2 GLY 38 lone 9 95 - 9 - 754/3.6=2, 5345/1.8=1 HB2 PRO 74 - HA2 GLY 38 lone 4 100 - 4 - 754/3.6=1 HB ILE 93 - HA2 GLY 38 lone 3 65 - 5 - 754/3.6=1 HB3 GLU 65 - HA2 GLY 38 lone 3 97 - 3 - HG LEU 62 - HA2 GLY 38 lone 2 73 - 3 - HB2 GLN 48 - HA2 GLY 38 lone 2 60 - 3 - 4.6/5328=1 Peak 5341 from cnoeabs.peaks (1.69, 3.92, 44.58 ppm; 4.72 A): 3 out of 18 assignments used, quality = 0.95: HG12 ILE 39 + HA2 GLY 38 OK 88 99 - 89 - 4.6/158=28, 5370=27...(13) HB ILE 40 + HA2 GLY 38 OK 40 100 - 40 - 5412/1.8=9, 756/3.6=7...(11) HD2 LYS 44 + HA2 GLY 38 OK 28 100 - 28 - 3.0/5339=5, 3.0/5339=4...(12) HD3 LYS 44 - HA2 GLY 38 OK 28 100 - 28 - 3.0/5339=5, 3.0/5339=4...(12) HD3 LYS 61 - HA2 GLY 38 OK 27 100 - 27 - 2.9/5339=7, ~5344=4...(10) HD2 LYS 61 - HA2 GLY 38 OK 27 100 - 27 - 2.9/5339=7, ~5344=4...(10) QB ALA 79 - HA2 GLY 38 OK 24 89 - 27 - 2.9/4148=6, ~1090=5...(9) HD3 LYS 35 - HA2 GLY 38 OK 20 100 - 20 - 3.0/5339=3, 3.0/5339=3...(8) HD2 LYS 77 - HA2 GLY 38 OK 15 89 - 17 - ~6408=5, ~152=3...(7) HD2 LYS 94 - HA2 GLY 38 OK 10 99 - 10 - 5347/1.8=1, 3.4/5340=1 HD3 LYS 94 - HA2 GLY 38 OK 10 99 - 10 - 5347/1.8=1, 3.4/5340=1 HB3 LYS 61 - HA2 GLY 38 poor 8 65 - 13 - 5.0/5339=5, 1.8/5340=3...(4) HD3 LYS 45 - HA2 GLY 38 lone 4 90 - 5 - HG3 ARG 57 - HA2 GLY 38 lone 4 100 - 4 - HG2 ARG 57 - HA2 GLY 38 lone 4 100 - 4 - HD2 LYS 45 - HA2 GLY 38 lone 4 87 - 5 - HD3 LYS 63 - HA2 GLY 38 lone 3 100 - 3 - HG12 ILE 27 - HA2 GLY 38 lone 3 65 - 4 - Peak 5342 from cnoeabs.peaks (1.30, 3.92, 44.58 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.86: HG13 ILE 39 + HA2 GLY 38 OK 79 89 - 90 - 4.6/158=31, 1.8/5370=25...(14) HG12 ILE 16 + HA2 GLY 38 OK 31 95 - 33 - 5348/1.8=6, 757/3.6=6...(10) Peak 5343 from cnoeabs.peaks (0.87, 3.92, 44.58 ppm; 4.29 A): 3 out of 8 assignments used, quality = 0.91: QG2 ILE 39 + HA2 GLY 38 OK 71 89 - 80 - 4.0/158=28, 5349/1.8=18...(13) QG2 ILE 37 + HA2 GLY 38 OK 66 83 - 80 - 153/3.0=16, 4.0/5333=16...(15) QG2 ILE 80 + HA2 GLY 38 OK 11 71 - 16 - ~156=4, ~6537=3...(4) QD1 ILE 51 - HA2 GLY 38 lone 9 100 - 9 - 5349/1.8=2, 755/3.6=2, 5723=1 QG1 VAL 18 - HA2 GLY 38 lone 7 100 - 7 - 5349/1.8=2, 755/3.6=1 QG2 THR 42 - HA2 GLY 38 lone 7 99 - 7 - 5349/1.8=2, ~5500=2, 755/3.6=1 QG2 VAL 30 - HA2 GLY 38 lone 7 78 - 9 - 5065/3.0=3, 5349/1.8=1, ~153=1 QG1 VAL 30 - HA2 GLY 38 lone 6 63 - 9 - ~5065=2, 153/3.0=2, ~153=2 Peak 5344 from cnoeabs.peaks (3.04, 4.08, 44.58 ppm; 4.74 A): 7 out of 8 assignments used, quality = 0.74: HE2 LYS 61 + HA3 GLY 38 OK 24 98 - 24 - 5339/1.8=8, 5363/3.6=6...(7) HB2 SER 75 + HA3 GLY 38 OK 20 100 - 21 - 5363/3.6=8, 5339/1.8=7 HE2 LYS 41 + HA3 GLY 38 OK 19 98 - 19 - 5339/1.8=6, 5363/3.6=6...(6) HE3 LYS 44 + HA3 GLY 38 OK 16 76 - 21 - 5339/1.8=6, ~5339=4...(9) HE2 LYS 44 + HA3 GLY 38 OK 16 73 - 21 - 5339/1.8=5, ~5339=4...(9) HE3 LYS 35 + HA3 GLY 38 OK 13 81 - 17 - 5339/1.8=4, ~5339=3...(7) HE2 LYS 35 + HA3 GLY 38 OK 13 81 - 17 - 5339/1.8=4, ~5339=3...(7) HB2 ASP 56 - HA3 GLY 38 lone 4 60 - 6 - ~5881=2, 5339/1.8=1, 5363/3.6=1 Peak 5345 from cnoeabs.peaks (1.84, 4.08, 44.58 ppm; 4.62 A): 3 out of 12 assignments used, quality = 0.96: HB ILE 37 + HA3 GLY 38 OK 82 97 - 85 - 152/3.0=21, 3.9/5334=18...(15) HB ILE 39 + HA3 GLY 38 OK 64 76 - 85 - 3.9/4149=28, 2.1/5349=19...(14) HB ILE 16 + HA3 GLY 38 OK 35 95 - 37 - 152/3.0=7, 3.0/5348=6...(9) HB2 LYS 61 - HA3 GLY 38 OK 16 99 - 16 - 5.0/5344=4, 5340/1.8=2...(6) HB2 LYS 44 - HA3 GLY 38 OK 16 92 - 17 - 4.8/5344=3, 4.8/5344=3...(8) HB3 LYS 44 - HA3 GLY 38 OK 15 87 - 17 - 4.8/5344=3, 4.8/5344=3...(8) HD3 LYS 77 - HA3 GLY 38 OK 11 78 - 14 - 6408/3.0=5, ~6407=2...(6) HB2 LYS 94 - HA3 GLY 38 lone 7 76 - 9 - 754/3.6=2, 5340/1.8=1 HB2 PRO 74 - HA3 GLY 38 lone 4 99 - 4 - 754/3.6=1 HB ILE 27 - HA3 GLY 38 lone 3 81 - 4 - HB3 GLU 65 - HA3 GLY 38 lone 2 81 - 3 - HB2 PRO 92 - HA3 GLY 38 lone 2 78 - 2 - Peak 5346 from cnoeabs.peaks (1.69, 4.08, 44.58 ppm; 4.55 A): 2 out of 16 assignments used, quality = 0.93: HG12 ILE 39 + HA3 GLY 38 OK 87 100 - 87 - 1983/3.6=24, 5370/1.8=22...(14) HB ILE 40 + HA3 GLY 38 OK 45 99 - 46 - 5412=10, 756/3.6=7...(12) HD3 LYS 44 - HA3 GLY 38 OK 24 99 - 24 - 3.0/5344=4, 3.0/5344=4...(10) HD2 LYS 44 - HA3 GLY 38 OK 24 98 - 24 - 3.0/5344=4, 3.0/5344=4...(10) HD2 LYS 61 - HA3 GLY 38 OK 23 98 - 23 - 2.9/5344=6, ~5339=5...(9) HD3 LYS 61 - HA3 GLY 38 OK 23 98 - 23 - 2.9/5344=6, ~5339=5...(9) HD3 LYS 35 - HA3 GLY 38 OK 20 100 - 20 - 3.0/5344=3, 3.0/5344=3...(8) QB ALA 79 - HA3 GLY 38 OK 19 78 - 25 - 2.9/4149=5, ~1090=4...(8) HD2 LYS 77 - HA3 GLY 38 OK 16 96 - 16 - ~6408=4, ~152=3...(7) HD3 LYS 94 - HA3 GLY 38 lone 8 95 - 8 - 5341/1.8=1 HD2 LYS 94 - HA3 GLY 38 lone 8 95 - 8 - 5341/1.8=1 HD3 LYS 45 - HA3 GLY 38 lone 4 97 - 4 - HD2 LYS 45 - HA3 GLY 38 lone 4 95 - 4 - HG2 ARG 57 - HA3 GLY 38 lone 3 99 - 3 - HG3 ARG 57 - HA3 GLY 38 lone 3 97 - 3 - HD3 LYS 63 - HA3 GLY 38 lone 3 98 - 3 - Peak 5347 from cnoeabs.peaks (1.69, 4.08, 44.58 ppm; 4.55 A): 2 out of 16 assignments used, quality = 0.93: HG12 ILE 39 + HA3 GLY 38 OK 87 100 - 87 - 1983/3.6=24, 5370/1.8=22...(14) HB ILE 40 + HA3 GLY 38 OK 45 99 - 46 - 5412=10, 756/3.6=7...(12) HD3 LYS 44 - HA3 GLY 38 OK 24 99 - 24 - 3.0/5344=4, 3.0/5344=4...(10) HD2 LYS 44 - HA3 GLY 38 OK 24 98 - 24 - 3.0/5344=4, 3.0/5344=4...(10) HD2 LYS 61 - HA3 GLY 38 OK 23 98 - 23 - 2.9/5344=6, ~5339=5...(9) HD3 LYS 61 - HA3 GLY 38 OK 23 98 - 23 - 2.9/5344=6, ~5339=5...(9) HD3 LYS 35 - HA3 GLY 38 OK 20 100 - 20 - 3.0/5344=3, 3.0/5344=3...(8) QB ALA 79 - HA3 GLY 38 OK 19 78 - 25 - 2.9/4149=5, ~1090=4...(8) HD2 LYS 77 - HA3 GLY 38 OK 16 96 - 16 - ~6408=4, ~152=3...(7) HD3 LYS 94 - HA3 GLY 38 lone 8 95 - 8 - 5341/1.8=1 HD2 LYS 94 - HA3 GLY 38 lone 8 95 - 8 - 5341/1.8=1 HD3 LYS 45 - HA3 GLY 38 lone 4 97 - 4 - HD2 LYS 45 - HA3 GLY 38 lone 4 95 - 4 - HG2 ARG 57 - HA3 GLY 38 lone 3 99 - 3 - HG3 ARG 57 - HA3 GLY 38 lone 3 97 - 3 - HD3 LYS 63 - HA3 GLY 38 lone 3 98 - 3 - Peak 5348 from cnoeabs.peaks (1.28, 4.08, 44.58 ppm; 5.08 A): 2 out of 5 assignments used, quality = 0.93: HG13 ILE 39 + HA3 GLY 38 OK 89 100 - 89 - 757/3.6=31, 5342/1.8=22...(14) HG12 ILE 16 + HA3 GLY 38 OK 37 100 - 37 - 5342/1.8=9, 757/3.6=7...(10) QB ALA 98 - HA3 GLY 38 OK 21 87 - 24 - 3.6/5334=8, 6989/3.0=5...(5) HG3 LYS 35 - HA3 GLY 38 OK 17 87 - 19 - 3.9/5344=3, 3.9/5344=3...(7) QG2 THR 26 - HA3 GLY 38 lone 3 85 - 3 - Peak 5349 from cnoeabs.peaks (0.88, 4.08, 44.58 ppm; 4.44 A): 2 out of 6 assignments used, quality = 0.92: QG2 ILE 39 + HA3 GLY 38 OK 83 97 - 85 - 4.0/4149=26, 5343/1.8=15...(17) QG2 ILE 37 + HA3 GLY 38 OK 51 65 - 79 - 4.0/5334=16, 5343/1.8=14...(14) QD1 ILE 51 - HA3 GLY 38 lone 9 100 - 9 - 5723/1.8=2, 755/3.6=2 QG2 THR 42 - HA3 GLY 38 lone 9 100 - 9 - 2.1/5500=2, 5343/1.8=2 QG1 VAL 18 - HA3 GLY 38 lone 7 99 - 7 - 755/3.6=2, 5343/1.8=2 QG2 VAL 30 - HA3 GLY 38 poor 6 60 - 11 - 3.9/103=2, 5065/3.0=2...(4) Peak 5355 from cnoeabs.peaks (2.38, 1.82, 38.41 ppm; 4.01 A): 2 out of 5 assignments used, quality = 0.94: HB3 ASP 71 + HB ILE 39 OK 92 100 - 92 - 6269=32, 6273/2.1=30...(19) HB3 PRO 74 + HB ILE 39 OK 27 100 - 27 - 5356/2.1=6, 5359/3.2=5...(7) HG3 MET 50 - HB ILE 39 OK 21 100 - 21 - 5356/2.1=6, 5359/3.2=4...(6) HG3 GLN 48 - HB ILE 39 poor 8 65 - 11 - ~5617=2, 5356/2.1=2...(6) HG2 PRO 73 - HB ILE 39 lone 6 71 - 8 - 5356/2.1=2, 5359/3.2=1 Peak 5356 from cnoeabs.peaks (2.38, 0.89, 17.20 ppm; 3.37 A): 3 out of 5 assignments used, quality = 0.91: HB3 ASP 71 + QG2 ILE 39 OK 86 100 - 86 - 6273=35, 1.8/5367=20...(20) HB3 PRO 74 + QG2 ILE 39 OK 21 100 - 21 - 5355/2.1=4, 5359/3.0=3...(7) HG3 MET 50 + QG2 ILE 39 OK 19 100 - 19 - 5355/2.1=3, 5359/3.0=3...(8) HG3 GLN 48 - QG2 ILE 39 lone 6 63 - 9 - 5.0/5610=1, ~5617=1...(4) HG2 PRO 73 - QG2 ILE 39 lone 5 73 - 6 - Peak 5357 from cnoeabs.peaks (2.38, 1.69, 27.57 ppm; 5.24 A): 1 out of 5 assignments used, quality = 0.96: HB3 ASP 71 + HG12 ILE 39 OK 96 100 - 96 - 6273/3.2=33, 6269/2.9=30...(15) HB3 PRO 74 - HG12 ILE 39 OK 40 100 - 40 - 5359/2.1=9, 5358/1.8=8...(9) HG3 MET 50 - HG12 ILE 39 OK 29 100 - 29 - 5359/2.1=8, 5356/3.2=6...(5) HG3 GLN 48 - HG12 ILE 39 OK 12 63 - 18 - ~5617=4, 5359/2.1=3...(7) HG2 PRO 73 - HG12 ILE 39 poor 9 73 - 12 - 5358/1.8=2, 5359/2.1=2...(6) Peak 5358 from cnoeabs.peaks (2.37, 1.28, 27.57 ppm; 5.38 A): 1 out of 5 assignments used, quality = 0.96: HB3 ASP 71 + HG13 ILE 39 OK 96 100 - 96 - 6273/3.2=33, 6269/2.9=31...(16) HB3 PRO 74 - HG13 ILE 39 OK 40 99 - 41 - 5357/1.8=9, 5359/2.1=9...(9) HG3 MET 50 - HG13 ILE 39 OK 29 99 - 29 - 5359/2.1=8, 5357/1.8=6...(5) HG2 GLN 48 - HG13 ILE 39 OK 13 63 - 20 - ~5615=4, 5617/2.1=3...(8) HG2 PRO 73 - HG13 ILE 39 OK 11 92 - 12 - 5359/2.1=2, 5357/1.8=2...(6) Peak 5359 from cnoeabs.peaks (2.38, 0.91, 12.01 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.96: HB3 ASP 71 + QD1 ILE 39 OK 93 100 - 94 - 6273/3.0=30, 6269/3.2=25...(17) HB3 PRO 74 + QD1 ILE 39 OK 35 100 - 35 - 5356/3.0=6, 5357/2.1=6...(10) HG3 MET 50 - QD1 ILE 39 OK 31 100 - 31 - 5356/3.0=6, 3.8/5659=5...(7) HG3 GLN 48 - QD1 ILE 39 OK 11 63 - 18 - 1.8/5617=4, 3.0/1999=2...(8) HG2 PRO 73 - QD1 ILE 39 poor 8 73 - 11 - 5358/2.1=2, 334/6298=2...(6) Peak 5364 from cnoeabs.peaks (3.79, 4.09, 61.40 ppm; 4.72 A): 4 out of 7 assignments used, quality = 0.92: HA ILE 40 + HA ILE 39 OK 87 100 - 87 - 3.0/4150=33, 5366/3.2=20...(16) HA2 GLY 22 + HA ILE 39 OK 19 89 - 21 - 5366/3.2=5, 4076/3.0=4...(7) HA LYS 77 + HA ILE 39 OK 17 100 - 17 - 4468/3.0=7, ~1179=3...(4) HD2 PRO 92 + HA ILE 39 OK 10 100 - 10 - 5366/3.2=3, ~5365=2, ~158=1 HA SER 89 - HA ILE 39 lone 2 99 - 2 - HA2 GLY 60 - HA ILE 39 lone 2 68 - 3 - HB3 SER 11 - HA ILE 39 lone 2 100 - 2 - Peak 5365 from cnoeabs.peaks (3.92, 1.82, 38.41 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.94: HA2 GLY 38 + HB ILE 39 OK 91 100 - 92 - 3.6/754=37, 5342/2.9=25...(15) HA ALA 31 + HB ILE 39 OK 36 63 - 58 - 5370/2.9=11, 5371/2.9=10...(12) HD3 PRO 92 - HB ILE 39 OK 14 95 - 15 - ~5366=3, 5370/2.9=3...(5) Peak 5366 from cnoeabs.peaks (3.79, 0.89, 17.20 ppm; 4.61 A): 4 out of 7 assignments used, quality = 0.92: HA ILE 40 + QG2 ILE 39 OK 86 100 - 87 - 3.0/4152=28, 5364/3.2=19...(18) HA2 GLY 22 + QG2 ILE 39 OK 20 89 - 22 - 3.6/1976=7, 5364/3.2=4...(8) HA LYS 77 + QG2 ILE 39 OK 15 100 - 15 - 4468/4.0=6, 5364/3.2=4...(4) HD2 PRO 92 + QG2 ILE 39 OK 13 100 - 12 - ~5365=3, 5364/3.2=2...(4) HA SER 89 - QG2 ILE 39 lone 3 99 - 3 - HA2 GLY 60 - QG2 ILE 39 lone 2 68 - 3 - HB3 SER 11 - QG2 ILE 39 lone 2 100 - 2 - Peak 5367 from cnoeabs.peaks (2.58, 0.89, 17.20 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.93: HB2 ASP 71 + QG2 ILE 39 OK 88 100 - 88 - 1.8/6273=29, 6265/2.1=23...(19) HB2 ASN 52 + QG2 ILE 39 OK 25 98 - 25 - 3.0/5375=8, 5368/2.1=6...(7) HB3 ASN 52 + QG2 ILE 39 OK 25 96 - 25 - 3.0/5375=8, 5368/2.1=5...(7) Peak 5368 from cnoeabs.peaks (2.58, 1.82, 38.41 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.95: HB2 ASP 71 + HB ILE 39 OK 93 100 - 93 - 6265=34, 1.8/6269=27...(19) HB2 ASN 52 + HB ILE 39 OK 28 98 - 28 - 5367/2.1=7, ~5375=6...(7) HB3 ASN 52 - HB ILE 39 OK 27 96 - 28 - 5367/2.1=7, ~5375=6...(7) Peak 5369 from cnoeabs.peaks (4.41, 0.89, 17.20 ppm; 4.97 A): 1 out of 7 assignments used, quality = 0.97: HA ASP 71 + QG2 ILE 39 OK 97 100 - 97 - 3.0/6273=32, 3.0/5367=28...(27) HA PRO 74 - QG2 ILE 39 OK 29 99 - 29 - 2.3/5356=7, ~5355=6...(7) HA MET 50 - QG2 ILE 39 OK 23 93 - 24 - 5659/3.0=6, 3.8/5356=6...(6) HA SER 29 - QG2 ILE 39 OK 12 65 - 19 - 4416/3.8=3, ~5022=2...(8) HB THR 46 - QG2 ILE 39 OK 12 85 - 14 - 4.4/5581=5, 5559/2.1=3...(4) HA PRO 73 - QG2 ILE 39 OK 11 92 - 12 - 5.0/5356=5, 6309/5375=2...(4) HA THR 59 - QG2 ILE 39 lone 2 83 - 2 - Peak 5370 from cnoeabs.peaks (3.92, 1.69, 27.57 ppm; 4.90 A): 3 out of 3 assignments used, quality = 0.94: HA2 GLY 38 + HG12 ILE 39 OK 88 99 - 89 - 158/4.6=30, 5342/1.8=28...(13) HA ALA 31 + HG12 ILE 39 OK 43 73 - 59 - 3.0/4153=13, 5371/1.8=12...(12) HD3 PRO 92 + HG12 ILE 39 OK 11 89 - 12 - 5365/2.9=3, 5371/1.8=3...(4) Peak 5371 from cnoeabs.peaks (3.91, 1.28, 27.57 ppm; 5.19 A): 2 out of 6 assignments used, quality = 0.95: HA2 GLY 38 + HG13 ILE 39 OK 89 97 - 93 - 158/4.6=32, 5342=30...(14) HA ALA 31 + HG13 ILE 39 OK 52 85 - 62 - 3.0/4154=14, 5370/1.8=13...(12) HD3 PRO 92 - HG13 ILE 39 OK 11 78 - 13 - 5365/2.9=4, 5370/1.8=3...(5) HD3 PRO 73 - HG13 ILE 39 lone 5 60 - 9 - 2.3/5358=2, ~5359=1...(5) HB3 SER 75 - HG13 ILE 39 lone 1 71 - 2 - HA2 GLY 85 - HG13 ILE 39 lone 1 63 - 2 - Peak 5373 from cnoeabs.peaks (2.59, 0.91, 12.01 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.94: HB2 ASP 71 + QD1 ILE 39 OK 94 100 - 95 - 6265/3.2=25, 5367/3.0=24...(19) HB2 ASN 52 - QD1 ILE 39 OK 31 100 - 31 - 5367/3.0=7, 5368/3.2=6...(7) HB3 ASN 52 - QD1 ILE 39 OK 31 99 - 31 - 5367/3.0=7, ~5375=6...(7) Peak 5375 from cnoeabs.peaks (4.91, 0.89, 17.20 ppm; 4.86 A): 0 out of 3 assignments used, low quality = 0.33: HA ASN 52 - QG2 ILE 39 OK 18 68 - 27 - 3.0/5367=8, 3.0/5367=8...(5) HA LYS 35 - QG2 ILE 39 OK 18 100 - 18 - 5430/7162=7, 3.9/1981=3...(6) HA ASN 14 - QG2 ILE 39 lone 8 97 - 8 - 3.6/5379=3, 4041/6258=1 Peak 5378 from cnoeabs.peaks (8.46, 1.82, 38.41 ppm; 4.75 A): 5 out of 10 assignments used, quality = 0.94: H ASP 71 + HB ILE 39 OK 78 97 - 80 - 3.9/6265=24, 3.9/6269=22...(11) H ASP 72 + HB ILE 39 OK 53 89 - 60 - 4.5/6265=21, 4.5/6269=20...(6) H THR 42 + HB ILE 39 OK 19 97 - 20 - 5379/2.1=6, 5381/3.2=3...(7) H THR 15 + HB ILE 39 OK 17 100 - 17 - 5379/2.1=4, 4562/2.9=4...(5) H ALA 98 + HB ILE 39 OK 11 93 - 11 - 5377/3.9=3, 5379/2.1=2...(6) H ILE 93 - HB ILE 39 lone 8 100 - 8 - 5379/2.1=2, 5381/3.2=1...(4) H LEU 21 - HB ILE 39 lone 6 99 - 6 - 5379/2.1=1, 5377/3.9=1 H PHE 83 - HB ILE 39 lone 6 87 - 6 - 5379/2.1=1 H GLY 60 - HB ILE 39 lone 3 65 - 4 - H GLY 90 - HB ILE 39 lone 2 68 - 2 - Peak 5379 from cnoeabs.peaks (8.46, 0.89, 17.20 ppm; 3.97 A): 4 out of 10 assignments used, quality = 0.92: H ASP 71 + QG2 ILE 39 OK 73 97 - 75 - 6258=20, 3.9/6273=20...(14) H ASP 72 + QG2 ILE 39 OK 51 89 - 58 - 4.5/6273=17, 4.5/5367=14...(8) H THR 42 + QG2 ILE 39 OK 25 97 - 26 - 779=5, 3.6/5459=5...(11) H THR 15 + QG2 ILE 39 OK 18 100 - 17 - 3.6/5375=4, 4562/3.2=3...(7) H ILE 93 - QG2 ILE 39 lone 9 100 - 9 - 4.7/6855=1, 4.0/6844=1...(4) H ALA 98 - QG2 ILE 39 lone 9 93 - 9 - 5377/4.0=2, 2.9/1981=2...(4) H LEU 21 - QG2 ILE 39 lone 5 99 - 5 - H PHE 83 - QG2 ILE 39 lone 5 87 - 6 - H GLY 60 - QG2 ILE 39 lone 2 65 - 3 - H GLY 90 - QG2 ILE 39 lone 1 68 - 2 - Peak 5381 from cnoeabs.peaks (8.47, 0.91, 12.01 ppm; 5.00 A): 5 out of 9 assignments used, quality = 0.94: H ASP 72 + QD1 ILE 39 OK 69 99 - 70 - 6298=24, 4.5/5373=17...(8) H ASP 71 + QD1 ILE 39 OK 66 85 - 78 - 3.9/5373=19, 3.9/5359=16...(12) H THR 42 + QD1 ILE 39 OK 22 100 - 22 - 779/3.0=5, 5378/3.2=3...(9) H THR 15 + QD1 ILE 39 OK 17 93 - 18 - 4562/2.1=4, 5379/3.0=4...(5) H ALA 98 + QD1 ILE 39 OK 10 100 - 10 - 5377/5.0=2, 5379/3.0=2...(5) H ILE 93 - QD1 ILE 39 lone 8 95 - 9 - 5379/3.0=2, 6298=1, 5378/3.2=1 H PHE 83 - QD1 ILE 39 lone 7 98 - 7 - 6602/2.1=1, 5379/3.0=1 H LEU 21 - QD1 ILE 39 lone 5 100 - 5 - 5379/3.0=1 H TRP 82 - QD1 ILE 39 lone 3 73 - 4 - Peak 5382 from cnoeabs.peaks (8.45, 3.79, 61.01 ppm; 4.03 A): 4 out of 11 assignments used, quality = 0.91: H ASP 71 + HA ILE 40 OK 79 100 - 79 - 6253=31, 3.6/5410=25...(15) H THR 42 + HA ILE 40 OK 39 83 - 47 - 4.6/168=22, 4.6/5432=11...(8) H ASP 72 + HA ILE 40 OK 21 68 - 31 - 4.6/6253=13, 6280/5410=5...(8) H ILE 93 + HA ILE 40 OK 11 100 - 10 - ~6796=2, 4.0/2010=2, 5396/4.2=2 H THR 15 - HA ILE 40 lone 9 100 - 9 - 174/3.6=2, ~4564=2, 5396/4.2=1 H LEU 21 - HA ILE 40 poor 9 89 - 10 - 5396/4.2=3, 4.6/656=2...(4) H PHE 83 - HA ILE 40 poor 8 65 - 13 - 4.0/5433=2, 6.4/5384=2...(5) H ALA 98 - HA ILE 40 lone 7 76 - 9 - 4.9/4759=2, 5386/3.2=1 H THR 67 - HA ILE 40 lone 5 73 - 7 - 6103/4.2=2, 4.0/5431=2 H GLY 90 - HA ILE 40 lone 5 89 - 5 - 4.6/5433=2 H GLY 60 - HA ILE 40 lone 4 87 - 4 - Peak 5383 from cnoeabs.peaks (7.06, 3.79, 61.01 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.88: QD PHE 70 + HA ILE 40 OK 86 98 - 88 - 3.7/5410=26, 5485/3.6=23...(19) HD22 ASN 91 + HA ILE 40 OK 12 63 - 19 - 5403/4.2=3, 5391/3.2=3...(6) HZ3 TRP 82 - HA ILE 40 poor 8 76 - 11 - 5391/3.2=2, 5393/3.8=2...(4) HZ PHE 17 - HA ILE 40 lone 6 68 - 8 - 5406/3.8=2, 5391/3.2=2...(4) Peak 5384 from cnoeabs.peaks (6.98, 3.79, 61.01 ppm; 4.92 A): 5 out of 8 assignments used, quality = 0.93: QE PHE 70 + HA ILE 40 OK 80 97 - 82 - 2.2/5383=34, 5.6/5410=21...(14) QE PHE 83 + HA ILE 40 OK 39 99 - 39 - 5407/3.8=7, 5394/3.8=6...(11) HZ PHE 88 + HA ILE 40 OK 28 100 - 28 - 5404/4.2=5, 5392/3.2=5...(8) QE PHE 88 + HA ILE 40 OK 14 60 - 24 - 5404/4.2=4, ~4747=3...(8) HZ PHE 83 + HA ILE 40 OK 12 57 - 20 - ~5392=4, 5404/4.2=3...(8) HD21 ASN 52 - HA ILE 40 lone 9 99 - 9 - 5404/4.2=2, 5407/3.8=2...(5) HE22 GLN 48 - HA ILE 40 lone 8 100 - 7 - 5392/3.2=1, 5404/4.2=1...(4) HD21 ASN 24 - HA ILE 40 lone 7 89 - 8 - 5.7/4873=3 Peak 5385 from cnoeabs.peaks (8.88, 0.82, 16.23 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.74: H MET 50 + QG2 ILE 40 OK 69 100 - 69 - 3.6/5415=18, 5657=16...(14) H PHE 97 + QG2 ILE 40 OK 15 95 - 16 - 5483/4.1=3, 4.5/4764=3...(5) Peak 5386 from cnoeabs.peaks (8.47, 0.82, 16.23 ppm; 4.57 A): 5 out of 9 assignments used, quality = 0.92: H ASP 71 + QG2 ILE 40 OK 53 73 - 72 - 3.6/5416=33, 6253/3.2=18...(11) H THR 42 + QG2 ILE 40 OK 52 100 - 52 - 4.6/170=21, 4.6/5462=10...(10) H ASP 72 + QG2 ILE 40 OK 34 100 - 34 - 6280/5416=12, 3.6/5421=7...(7) H LEU 21 + QG2 ILE 40 OK 30 99 - 30 - 4.7/5450=7, 2.9/4814=4...(11) H ALA 98 + QG2 ILE 40 OK 22 100 - 22 - 4.6/5385=5, 4.9/4764=4...(7) H PHE 83 - QG2 ILE 40 OK 22 100 - 22 - 6602/2.1=3, 6.4/5392=3...(7) H THR 15 - QG2 ILE 40 OK 16 85 - 18 - 3.0/4564=4, 174/4.1=3...(4) H ILE 93 - QG2 ILE 40 OK 15 87 - 17 - 4.0/2024=3, 5396/3.3=3...(5) H TRP 82 - QG2 ILE 40 lone 6 85 - 7 - Peak 5387 from cnoeabs.peaks (7.68, 0.82, 16.23 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.69: H SER 69 + QG2 ILE 40 OK 69 100 - 70 - 4.3/5451=28, 4.3/5450=13...(16) H GLN 48 - QG2 ILE 40 poor 9 83 - 11 - 4.8/5655=2, 806/5438=2...(4) HD21 ASN 43 - QG2 ILE 40 lone 1 68 - 2 - Peak 5391 from cnoeabs.peaks (7.05, 0.82, 16.23 ppm; 5.34 A): 1 out of 4 assignments used, quality = 0.98: QD PHE 70 + QG2 ILE 40 OK 98 100 - 98 - 3.7/5416=40, 5383/3.2=31...(35) HD22 ASN 91 - QG2 ILE 40 OK 24 85 - 28 - 5403/3.3=6, 5393/3.2=5...(10) HZ3 TRP 82 - QG2 ILE 40 OK 18 93 - 19 - 5393/3.2=4, 5403/3.3=4...(5) HZ PHE 17 - QG2 ILE 40 OK 13 89 - 14 - 5406/3.2=3, 5393/3.2=3...(4) Peak 5392 from cnoeabs.peaks (6.98, 0.82, 16.23 ppm; 5.46 A): 3 out of 8 assignments used, quality = 0.99: QE PHE 70 + QG2 ILE 40 OK 94 97 - 97 - 5.6/5416=29, 2.2/5391=26...(24) QE PHE 83 + QG2 ILE 40 OK 64 99 - 64 - 5407/3.2=10, 5404/3.3=8...(19) HZ PHE 88 + QG2 ILE 40 OK 54 100 - 54 - 5404/3.3=7, 5407/3.2=6...(20) QE PHE 88 - QG2 ILE 40 OK 32 60 - 53 - 2.2/4747=7, ~4748=6...(20) HZ PHE 83 - QG2 ILE 40 OK 28 57 - 49 - ~5407=7, ~5404=6...(17) HE22 GLN 48 - QG2 ILE 40 OK 16 100 - 16 - 6.9/5387=2, 4.6/5438=2...(7) HD21 ASN 52 - QG2 ILE 40 OK 14 99 - 14 - 5404/3.3=2, 5407/3.2=2...(6) HD21 ASN 24 - QG2 ILE 40 poor 9 89 - 10 - 5.7/4869=3, 5384/3.2=1 Peak 5393 from cnoeabs.peaks (7.05, 0.53, 28.46 ppm; 4.98 A): 1 out of 4 assignments used, quality = 0.95: QD PHE 70 + HG13 ILE 40 OK 95 100 - 95 - 5403/2.1=32, 5406/1.8=27...(25) HD22 ASN 91 - HG13 ILE 40 OK 19 85 - 22 - 5403/2.1=6, 5391/3.2=5...(6) HZ3 TRP 82 - HG13 ILE 40 OK 15 93 - 16 - 5406/1.8=4, 5403/2.1=4...(5) HZ PHE 17 - HG13 ILE 40 OK 11 89 - 12 - 5406/1.8=4, 5403/2.1=3...(4) Peak 5394 from cnoeabs.peaks (6.98, 0.53, 28.46 ppm; 4.80 A): 2 out of 8 assignments used, quality = 0.95: QE PHE 70 + HG13 ILE 40 OK 89 97 - 92 - 2.2/5393=24, ~5403=21...(19) QE PHE 83 + HG13 ILE 40 OK 51 99 - 51 - 5407/1.8=10, 5404/2.1=9...(14) HZ PHE 88 - HG13 ILE 40 OK 33 100 - 33 - 5404/2.1=7, 5407/1.8=6...(11) QE PHE 88 - HG13 ILE 40 OK 21 60 - 35 - ~4748=6, 5404/2.1=5...(12) HZ PHE 83 - HG13 ILE 40 OK 21 57 - 36 - ~5407=7, ~5404=6...(12) HD21 ASN 52 - HG13 ILE 40 OK 12 99 - 12 - 4.3/5425=3, 5404/2.1=2...(6) HE22 GLN 48 - HG13 ILE 40 lone 8 100 - 8 - 5404/2.1=2, 5407/1.8=2...(4) HD21 ASN 24 - HG13 ILE 40 lone 5 89 - 6 - Peak 5396 from cnoeabs.peaks (8.46, 0.75, 13.50 ppm; 4.81 A): 5 out of 10 assignments used, quality = 0.94: H ASP 71 + QD1 ILE 40 OK 75 97 - 77 - 6253/4.2=22, 4.4/5403=21...(12) H LEU 21 + QD1 ILE 40 OK 37 99 - 37 - 4.7/5454=9, 4.6/5399=6...(11) H THR 42 + QD1 ILE 40 OK 31 97 - 32 - 5382/4.2=6, 5386/3.3=6...(7) H ILE 93 + QD1 ILE 40 OK 26 100 - 26 - 4.9/5441=4, 4.7/5398=3...(11) H PHE 83 + QD1 ILE 40 OK 26 87 - 30 - 4.4/5401=7, 4.0/5447=5...(9) H ASP 72 - QD1 ILE 40 OK 23 89 - 26 - 6280/5429=6, 6300/5403=5...(7) H THR 15 - QD1 ILE 40 OK 16 100 - 16 - ~4564=3, 3.6/5430=2...(4) H ALA 98 - QD1 ILE 40 OK 14 93 - 14 - 2.9/5442=3, 5386/3.3=3...(4) H GLY 90 - QD1 ILE 40 poor 7 68 - 10 - 4.6/6776=5, 3.6/2040=2 H GLY 60 - QD1 ILE 40 lone 5 65 - 7 - 4.4/5428=2 Peak 5398 from cnoeabs.peaks (8.33, 0.75, 13.50 ppm; 3.68 A): 4 out of 5 assignments used, quality = 0.95: H LYS 35 + QD1 ILE 40 OK 81 95 - 86 - 5226=27, 3.0/5430=25...(18) H ASP 32 + QD1 ILE 40 OK 59 83 - 72 - 3.6/5089=23, 3.5/5091=23...(17) H LYS 94 + QD1 ILE 40 OK 16 78 - 21 - 6868/4.7=2, 4436/5089=2...(7) H GLY 64 + QD1 ILE 40 OK 15 100 - 15 - 1086/5193=2, 4.7/5399=2 H LYS 45 - QD1 ILE 40 lone 6 83 - 7 - 4.6/5402=1, 4112/5091=1 Peak 5399 from cnoeabs.peaks (8.00, 0.75, 13.50 ppm; 4.14 A): 3 out of 5 assignments used, quality = 0.94: H PHE 34 + QD1 ILE 40 OK 84 97 - 86 - 5193=34, 4.1/5202=17...(21) H VAL 30 + QD1 ILE 40 OK 39 71 - 55 - 5037=11, 4.6/2039=11...(20) H GLY 22 + QD1 ILE 40 OK 39 100 - 39 - 3.0/2040=5, 4826/3.3=4...(15) H LYS 63 - QD1 ILE 40 OK 18 100 - 18 - 4.7/5398=2, 287/7099=2...(6) H LYS 86 - QD1 ILE 40 OK 13 93 - 13 - 6658/3.3=1, 3.6/5426=1 Peak 5401 from cnoeabs.peaks (7.53, 0.75, 13.50 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.91: H TYR 33 + QD1 ILE 40 OK 69 100 - 70 - 4.6/5193=21, 4.6/5117=17...(15) QD PHE 83 + QD1 ILE 40 OK 46 76 - 61 - 2.2/5404=9, 4735/2.1=8...(22) H GLN 36 + QD1 ILE 40 OK 44 60 - 74 - 3.6/5430=34, 4.6/5226=19...(11) Peak 5402 from cnoeabs.peaks (7.43, 0.75, 13.50 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.91: QD PHE 34 + QD1 ILE 40 OK 88 99 - 89 - 2.4/5202=25, 4683=22...(28) H ALA 76 + QD1 ILE 40 OK 24 98 - 25 - 6162/5455=4, 4.6/5426=3...(11) H THR 46 - QD1 ILE 40 lone 9 96 - 9 - 6162/5455=1, 723/5193=1 Peak 5403 from cnoeabs.peaks (7.06, 0.75, 13.50 ppm; 4.19 A): 3 out of 4 assignments used, quality = 0.93: QD PHE 70 + QD1 ILE 40 OK 90 100 - 91 - 5406/2.1=19, 2.5/5446=18...(25) HD22 ASN 91 + QD1 ILE 40 OK 17 73 - 22 - 5393/2.1=4, 5391/3.3=3...(7) HZ3 TRP 82 + QD1 ILE 40 OK 11 85 - 12 - 5393/2.1=3, 5406/2.1=3...(4) HZ PHE 17 - QD1 ILE 40 lone 8 78 - 9 - 5406/2.1=3, 5393/2.1=2...(4) Peak 5404 from cnoeabs.peaks (6.97, 0.75, 13.50 ppm; 3.98 A): 3 out of 8 assignments used, quality = 0.96: QE PHE 70 + QD1 ILE 40 OK 87 99 - 88 - 2.2/5403=23, 2.2/5405=21...(27) QE PHE 83 + QD1 ILE 40 OK 48 97 - 50 - 2.2/5401=7, 5407/2.1=6...(21) HZ PHE 88 + QD1 ILE 40 OK 38 99 - 38 - 3.8/4748=4, 5407/2.1=4...(17) QE PHE 88 - QD1 ILE 40 OK 27 71 - 38 - 2.2/4748=6, 4.4/5445=3...(19) HZ PHE 83 - QD1 ILE 40 OK 26 68 - 39 - 3.8/5401=6, ~5407=4...(17) HD21 ASN 52 - QD1 ILE 40 OK 12 96 - 13 - 4.3/5430=2, 5407/2.1=1...(6) HE22 GLN 48 - QD1 ILE 40 lone 9 100 - 9 - HD21 ASN 24 - QD1 ILE 40 lone 4 81 - 4 - Peak 5405 from cnoeabs.peaks (6.84, 0.75, 13.50 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.82: HZ PHE 70 + QD1 ILE 40 OK 73 87 - 85 - 3.8/5403=20, 2.2/5404=14...(26) H VAL 25 + QD1 ILE 40 OK 22 100 - 22 - 6159/5455=4, 3.9/2042=2...(8) QE TYR 54 + QD1 ILE 40 OK 12 99 - 12 - 6159/5455=2, 4696/6103=1...(4) Peak 5406 from cnoeabs.peaks (7.06, 1.64, 28.46 ppm; 4.78 A): 1 out of 8 assignments used, quality = 0.94: QD PHE 70 + HG12 ILE 40 OK 94 100 - 94 - 5403/2.1=31, 5393/1.8=25...(25) HD22 ASN 91 - HG12 ILE 40 OK 16 73 - 21 - 5403/2.1=6, 5393/1.8=5...(5) HZ3 TRP 82 - HG12 ILE 40 OK 13 85 - 15 - 5393/1.8=4, 5403/2.1=4...(4) HZ PHE 17 - HG12 ILE 40 OK 13 78 - 16 - 5393/1.8=3, 4790=3...(6) QD PHE 70 - HG12 ILE 27 poor 6 57 - 11 - 3.8/4775=2, 6161/5452=2 HZ PHE 17 - HG12 ILE 27 lone 2 39 - 5 - HZ3 TRP 82 - HG12 ILE 27 lone 1 43 - 2 - HD22 ASN 91 - HG12 ILE 27 lone 1 36 - 1 - Peak 5407 from cnoeabs.peaks (6.98, 1.64, 28.46 ppm; 4.59 A): 3 out of 14 assignments used, quality = 0.95: QE PHE 70 + HG12 ILE 40 OK 83 92 - 91 - 2.2/5406=22, ~5403=20...(24) QE PHE 83 + HG12 ILE 40 OK 56 100 - 56 - 2.2/4735=10, 4834=8...(17) HZ PHE 88 + HG12 ILE 40 OK 34 100 - 34 - 5404/2.1=6, 5394/1.8=5...(12) HE22 GLN 48 - HG12 ILE 27 OK 13 58 - 23 - ~5617=7, ~5615=6...(4) HD21 ASN 52 - HG12 ILE 40 OK 11 100 - 11 - 4.3/5420=2, 5404/2.1=2...(5) HE22 GLN 48 - HG12 ILE 40 lone 8 100 - 8 - 5404/2.1=2, 5392/3.2=1...(4) QE PHE 83 - HG12 ILE 27 poor 8 58 - 13 - 2.2/4735=3, ~4863=2...(4) HD21 ASN 24 - HG12 ILE 40 lone 5 96 - 5 - QE PHE 70 - HG12 ILE 27 poor 5 48 - 11 - 2.2/4775=2, 2.2/5406=2...(4) HD21 ASN 52 - HG12 ILE 27 lone 2 58 - 4 - 4.3/5420=2 HZ PHE 88 - HG12 ILE 27 lone 2 58 - 4 - HE22 GLN 19 - HG12 ILE 40 lone 2 68 - 3 - 6.6/42=1 HD21 ASN 24 - HG12 ILE 27 lone 1 52 - 2 - HE22 GLN 19 - HG12 ILE 27 lone 1 33 - 2 - Peak 5408 from cnoeabs.peaks (4.08, 3.79, 61.01 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.96: HA ILE 39 + HA ILE 40 OK 79 97 - 82 - 4150/3.0=30, 5364=23...(16) HA LYS 41 + HA ILE 40 OK 68 87 - 78 - 3.0/168=38, 3.0/5432=18...(16) HA3 GLY 38 + HA ILE 40 OK 34 100 - 35 - 161/3.0=7, 5325/5383=5...(12) HB3 SER 29 - HA ILE 40 OK 23 100 - 23 - 161/3.0=4, 5035/3.2=4...(9) HB THR 67 - HA ILE 40 OK 12 73 - 16 - 5412/3.0=3, 2.1/5431=3...(7) Peak 5409 from cnoeabs.peaks (4.08, 3.79, 61.01 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.96: HA ILE 39 + HA ILE 40 OK 79 96 - 82 - 4150/3.0=30, 5364=23...(16) HA LYS 41 + HA ILE 40 OK 68 87 - 78 - 3.0/168=38, 3.0/5432=18...(16) HA3 GLY 38 + HA ILE 40 OK 34 100 - 35 - 161/3.0=7, 5325/5383=5...(12) HB3 SER 29 - HA ILE 40 OK 23 100 - 23 - 161/3.0=4, 5035/3.2=4...(9) HB THR 67 - HA ILE 40 OK 12 73 - 16 - 5412/3.0=3, 2.1/5431=3...(7) Peak 5410 from cnoeabs.peaks (4.82, 3.79, 61.01 ppm; 3.22 A): 2 out of 3 assignments used, quality = 0.75: HA PHE 70 + HA ILE 40 OK 69 100 - 70 - 5469/3.6=17, 5416/3.2=15...(14) HA ILE 51 + HA ILE 40 OK 18 83 - 21 - 5429/4.2=4, 5469/3.6=3...(9) HA THR 55 - HA ILE 40 lone 2 71 - 3 - Peak 5412 from cnoeabs.peaks (4.09, 1.68, 37.87 ppm; 4.37 A): 6 out of 7 assignments used, quality = 0.93: HA ILE 39 + HB ILE 40 OK 71 100 - 71 - 4150/3.9=25, 5364/3.0=17...(11) HA3 GLY 38 + HB ILE 40 OK 41 97 - 42 - 3.6/756=6, 5346=6...(12) HA3 GLY 22 + HB ILE 40 OK 26 89 - 29 - 5414/2.1=5, ~4831=5...(9) HB3 SER 29 + HB ILE 40 OK 21 95 - 22 - 5035/2.1=4, 5427/3.2=4...(8) HB THR 67 + HB ILE 40 OK 20 97 - 20 - 5427/3.2=3, 5414/2.1=3...(9) HA GLU 23 + HB ILE 40 OK 19 76 - 25 - 4863/2.1=4, ~4859=4...(12) HB2 SER 96 - HB ILE 40 lone 5 89 - 5 - 5414/2.1=2 Peak 5413 from cnoeabs.peaks (3.90, 0.82, 16.23 ppm; 4.63 A): 1 out of 5 assignments used, quality = 0.94: HA ALA 31 + QG2 ILE 40 OK 94 99 - 95 - 5089/3.3=35, ~5091=20...(24) HA2 GLY 38 - QG2 ILE 40 OK 30 76 - 40 - 1.8/5414=6, ~5412=6...(13) HB3 SER 75 - QG2 ILE 40 OK 17 95 - 18 - 5426/3.3=5, 6350/5391=4...(4) HD3 PRO 73 - QG2 ILE 40 OK 10 89 - 11 - 4.8/5386=3, 5426/3.3=2...(4) HA2 GLY 85 - QG2 ILE 40 lone 7 90 - 8 - 5426/3.3=2, 5422/3.2=2 Peak 5414 from cnoeabs.peaks (4.09, 0.82, 16.23 ppm; 4.72 A): 4 out of 7 assignments used, quality = 0.93: HA ILE 39 + QG2 ILE 40 OK 71 100 - 71 - 4150/4.0=28, 5364/3.2=20...(10) HA3 GLY 38 + QG2 ILE 40 OK 40 97 - 42 - 5412/2.1=8, 1.8/5413=8...(10) HA3 GLY 22 + QG2 ILE 40 OK 39 89 - 44 - 1.8/4831=7, 4834=6...(11) HB3 SER 29 + QG2 ILE 40 OK 30 95 - 32 - 5427/3.3=4, 5412/2.1=4...(11) HA GLU 23 - QG2 ILE 40 OK 25 76 - 33 - 3.0/4859=6, 4863=4...(11) HB THR 67 - QG2 ILE 40 OK 24 97 - 24 - 2.1/5436=4, 5412/2.1=4...(9) HB2 SER 96 - QG2 ILE 40 OK 12 89 - 13 - 4.5/5385=6, 4396/5385=1 Peak 5415 from cnoeabs.peaks (4.60, 0.82, 16.23 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.76: HA PRO 49 + QG2 ILE 40 OK 76 98 - 78 - 2.3/5435=28, 2.3/5438=28...(14) HA ASP 12 - QG2 ILE 40 lone 4 99 - 4 - HA ASP 56 - QG2 ILE 40 lone 2 71 - 2 - HA ASN 13 - QG2 ILE 40 lone 1 81 - 1 - Peak 5416 from cnoeabs.peaks (4.84, 0.82, 16.23 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.66: HA PHE 70 + QG2 ILE 40 OK 66 83 - 80 - 5410/3.2=22, 5469/4.1=22...(22) Peak 5419 from cnoeabs.peaks (4.82, 1.64, 28.46 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.96: HA PHE 70 + HG12 ILE 40 OK 93 100 - 93 - 5410/3.8=31, 5416/3.2=27...(20) HA ILE 51 + HG12 ILE 40 OK 46 90 - 51 - 5429/2.1=13, 5424/1.8=10...(13) HA ILE 51 - HG12 ILE 27 OK 43 47 - 91 - ~4936=24, ~4937=22...(22) HA THR 55 - HG12 ILE 40 lone 8 81 - 10 - 5429/2.1=3, 7117/5452=1 HA PHE 70 - HG12 ILE 27 poor 6 58 - 11 - ~6222=2, 3.7/5406=1, 7117/5452=1 HA THR 55 - HG12 ILE 27 lone 2 40 - 4 - ~4952=1 Peak 5420 from cnoeabs.peaks (4.92, 1.64, 28.46 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.94: HA LYS 35 + HG12 ILE 40 OK 92 99 - 93 - 5430/2.1=35, 5425/1.8=30...(16) HA ASN 52 + HG12 ILE 27 OK 14 48 - 29 - 4954/2.1=17, ~5768=7...(5) HA ASN 52 + HG12 ILE 40 OK 12 92 - 13 - 5425/1.8=4, 5430/2.1=3...(5) HA ASN 14 - HG12 ILE 40 lone 7 78 - 9 - 5430/2.1=2, 6219/6221=2 HA ASN 24 - HG12 ILE 40 lone 4 68 - 6 - ~4869=3, 5425/1.8=1 HA LYS 35 - HG12 ILE 27 lone 4 57 - 7 - 4954/2.1=3, ~4970=1 HA ASN 14 - HG12 ILE 27 lone 2 39 - 6 - ~1595=2, ~1602=2 HA ASN 24 - HG12 ILE 27 lone 1 33 - 5 - 4954/2.1=3 Peak 5421 from cnoeabs.peaks (4.40, 0.82, 16.23 ppm; 4.99 A): 5 out of 8 assignments used, quality = 0.91: HA ASP 71 + QG2 ILE 40 OK 59 95 - 63 - 6242/4.1=17, ~6253=15...(15) HA MET 50 + QG2 ILE 40 OK 47 68 - 69 - 3.0/5385=37, 3.0/5666=13...(12) HA THR 42 + QG2 ILE 40 OK 36 85 - 43 - 5631/5415=11, 3.0/5386=8...(14) HA SER 29 + QG2 ILE 40 OK 29 92 - 31 - 3.0/5414=5, 4416/4.0=4...(14) HA PRO 73 + QG2 ILE 40 OK 12 100 - 11 - 3.6/5413=2, 5468/4.1=2 HA PRO 74 - QG2 ILE 40 lone 9 100 - 9 - 5468/4.1=2 HB THR 46 - QG2 ILE 40 lone 7 99 - 7 - 5631/5415=1 HA ALA 98 - QG2 ILE 40 lone 6 63 - 10 - 3.0/5386=3, ~5442=2 Peak 5422 from cnoeabs.peaks (3.89, 0.53, 28.46 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.97: HA ALA 31 + HG13 ILE 40 OK 97 100 - 97 - 5089/2.1=41, 2.1/5092=32...(21) HB3 SER 75 - HG13 ILE 40 OK 19 100 - 19 - 6350/5393=6, 5426/2.1=5...(4) HD3 PRO 73 - HG13 ILE 40 lone 9 99 - 9 - 5413/3.2=2, 5426/2.1=2...(4) HA2 GLY 85 - HG13 ILE 40 lone 8 99 - 7 - 5426/2.1=2, 5413/3.2=2 Peak 5423 from cnoeabs.peaks (4.10, 0.53, 28.46 ppm; 4.94 A): 6 out of 9 assignments used, quality = 0.94: HA ILE 39 + HG13 ILE 40 OK 70 96 - 74 - 3.6/764=39, 5364/3.8=18...(9) HA3 GLY 38 + HG13 ILE 40 OK 34 85 - 40 - 5427/2.1=7, 5412/3.0=7...(12) HA3 GLY 22 + HG13 ILE 40 OK 34 99 - 34 - 5427/2.1=6, 4834/3.2=6...(8) HB THR 67 + HG13 ILE 40 OK 23 100 - 23 - 5427/2.1=5, 5412/3.0=4...(8) HA GLU 23 + HG13 ILE 40 OK 22 93 - 23 - 4863/3.2=5, ~4859=4...(8) HB3 SER 29 + HG13 ILE 40 OK 19 78 - 24 - 5427/2.1=5, 5414/3.2=4...(7) HA GLN 36 - HG13 ILE 40 poor 9 63 - 14 - ~5401=6, 5234/7074=3 HB2 SER 96 - HG13 ILE 40 lone 6 99 - 6 - 5414/3.2=2, 5427/2.1=1 HB THR 15 - HG13 ILE 40 lone 3 57 - 5 - ~4564=3 Peak 5424 from cnoeabs.peaks (4.83, 0.53, 28.46 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.94: HA PHE 70 + HG13 ILE 40 OK 91 97 - 94 - 5416/3.2=40, 5410/3.8=33...(16) HA ILE 51 + HG13 ILE 40 OK 35 68 - 52 - 5429/2.1=13, 5419/1.8=9...(11) Peak 5425 from cnoeabs.peaks (4.92, 0.53, 28.46 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.95: HA LYS 35 + HG13 ILE 40 OK 94 99 - 94 - 5430/2.1=36, 3.0/7075=29...(15) HA ASN 52 + HG13 ILE 40 OK 12 92 - 13 - 5420/1.8=4, 5430/2.1=3...(5) HA ASN 14 - HG13 ILE 40 lone 5 78 - 6 - 5430/2.1=3, 5420/1.8=2 HA ASN 24 - HG13 ILE 40 lone 4 68 - 6 - ~4869=3, 5420/1.8=1 Peak 5426 from cnoeabs.peaks (3.89, 0.75, 13.50 ppm; 2.92 A): 2 out of 5 assignments used, quality = 0.83: HA ALA 31 + QD1 ILE 40 OK 80 100 - 81 - 5089=36, 2.1/5091=21...(27) HB3 SER 75 + QD1 ILE 40 OK 12 98 - 13 - 6350/5403=2, 4.6/5402=2...(6) HA2 GLY 38 - QD1 ILE 40 poor 10 65 - 15 - 1.8/5427=3, 5413/3.3=2...(8) HD3 PRO 73 - QD1 ILE 40 lone 5 95 - 5 - HA2 GLY 85 - QD1 ILE 40 lone 4 96 - 4 - Peak 5427 from cnoeabs.peaks (4.09, 0.75, 13.50 ppm; 4.41 A): 6 out of 7 assignments used, quality = 0.94: HA ILE 39 + QD1 ILE 40 OK 68 100 - 69 - 3.6/765=26, 3.2/7162=15...(12) HA3 GLY 38 + QD1 ILE 40 OK 38 97 - 40 - 5412/3.2=6, 5325/5403=5...(11) HA3 GLY 22 + QD1 ILE 40 OK 29 89 - 33 - 3.0/5399=7, 1.8/2040=7...(8) HB3 SER 29 + QD1 ILE 40 OK 27 95 - 29 - 4.6/5037=8, 5035/3.3=4...(10) HB THR 67 + QD1 ILE 40 OK 25 97 - 25 - 2.1/5440=4, 3.9/6103=4...(9) HA GLU 23 + QD1 ILE 40 OK 17 76 - 23 - 3.0/5444=3, 4863/3.3=3...(10) HB2 SER 96 - QD1 ILE 40 lone 6 89 - 6 - 5414/3.3=1 Peak 5428 from cnoeabs.peaks (4.32, 0.75, 13.50 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.93: HA PHE 34 + QD1 ILE 40 OK 79 92 - 87 - 3.0/5193=28, 5195=26...(17) HA ASP 32 + QD1 ILE 40 OK 58 92 - 63 - 4.8/5091=24, 3.0/5117=21...(13) HA ASP 81 + QD1 ILE 40 OK 19 100 - 19 - 1167/5226=3, 6555/5444=3...(6) HB THR 59 - QD1 ILE 40 lone 10 99 - 9 - 4440/5444=1, 1167/5226=1 Peak 5429 from cnoeabs.peaks (4.82, 0.75, 13.50 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.95: HA PHE 70 + QD1 ILE 40 OK 91 100 - 91 - 5410/4.2=26, 5416/3.3=24...(19) HA ILE 51 + QD1 ILE 40 OK 48 90 - 53 - 4.2/7162=13, 7117/5455=8...(13) HA THR 55 - QD1 ILE 40 poor 9 81 - 11 - 7117/5455=2, 5419/2.1=1 Peak 5430 from cnoeabs.peaks (4.91, 0.75, 13.50 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.80: HA LYS 35 + QD1 ILE 40 OK 80 99 - 81 - 5227=26, 3.0/5226=17...(18) HA ASN 52 - QD1 ILE 40 poor 7 60 - 11 - 5425/2.1=2, 5420/2.1=2...(5) HA ASN 14 - QD1 ILE 40 lone 5 99 - 6 - 6373/5402=1, 3.6/5396=1 Peak 5431 from cnoeabs.peaks (1.47, 3.79, 61.01 ppm; 4.49 A): 2 out of 8 assignments used, quality = 0.96: QB ALA 31 + HA ILE 40 OK 82 100 - 82 - 5091/4.2=26, 5092/3.8=20...(16) HB2 LYS 41 + HA ILE 40 OK 76 100 - 76 - 4.0/168=31, 1.8/5432=24...(15) HB ILE 51 - HA ILE 40 OK 43 98 - 44 - 3.0/5410=8, 5750/5448=8...(12) HG12 ILE 80 - HA ILE 40 OK 26 93 - 28 - 6520=6, 2.1/6528=5...(8) QG2 THR 67 - HA ILE 40 OK 20 93 - 21 - 5436/3.2=3, 5440/4.2=3...(9) HG2 LYS 44 - HA ILE 40 OK 15 99 - 14 - 5436/3.2=2, ~5435=2...(7) HG3 LYS 94 - HA ILE 40 OK 12 71 - 16 - ~6871=4, ~6872=3, ~162=3 HG2 LYS 86 - HA ILE 40 lone 3 60 - 5 - Peak 5432 from cnoeabs.peaks (1.20, 3.79, 61.01 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.82: HB3 LYS 41 + HA ILE 40 OK 72 100 - 72 - 4.0/168=33, 5462/3.2=13...(13) HG13 ILE 16 + HA ILE 40 OK 23 81 - 29 - 4593/5448=6, 7175/5383=6...(9) HG13 ILE 37 + HA ILE 40 OK 14 85 - 17 - 769/3.6=4, 5271/3.8=2...(5) QG2 THR 59 - HA ILE 40 lone 3 68 - 5 - Peak 5433 from cnoeabs.peaks (3.44, 3.79, 61.01 ppm; 5.28 A): 4 out of 5 assignments used, quality = 0.93: HB2 PHE 70 + HA ILE 40 OK 87 97 - 90 - 3.0/5410=38, 2.5/5383=35...(11) HB2 PHE 83 + HA ILE 40 OK 21 89 - 24 - 4.4/5384=6, 5447/4.2=4...(8) HB2 SER 89 + HA ILE 40 OK 19 100 - 19 - 6726/3.2=9, 1.8/3726=2...(4) HA ILE 80 + HA ILE 40 OK 17 57 - 30 - 3.0/1192=7, 3.8/6520=6...(7) HD3 PRO 74 - HA ILE 40 lone 3 68 - 4 - ~5421=1 Peak 5434 from cnoeabs.peaks (2.22, 1.68, 37.87 ppm; 5.37 A): 2 out of 6 assignments used, quality = 0.94: HB2 PRO 49 + HB ILE 40 OK 92 100 - 92 - 5438/2.1=35, ~5415=33...(14) HB VAL 30 + HB ILE 40 OK 33 68 - 48 - 4.4/2011=16, 5438/2.1=9...(11) HG3 GLU 87 - HB ILE 40 lone 5 81 - 6 - 5438/2.1=2, ~5435=1 HB3 GLN 48 - HB ILE 40 lone 4 76 - 6 - 5438/2.1=2 HG2 GLU 65 - HB ILE 40 lone 4 68 - 6 - ~6018=2, 5438/2.1=1 HG2 GLU 58 - HB ILE 40 lone 4 85 - 4 - Peak 5435 from cnoeabs.peaks (1.57, 0.82, 16.23 ppm; 3.39 A): 1 out of 8 assignments used, quality = 0.70: HB3 PRO 49 + QG2 ILE 40 OK 70 99 - 72 - 1.8/5438=24, 2.3/5415=22...(13) QB ALA 76 - QG2 ILE 40 poor 8 60 - 13 - 6384=2, 2.1/6382=2...(5) HG3 LYS 44 - QG2 ILE 40 lone 6 89 - 7 - 1.8/5436=2 HG3 LYS 77 - QG2 ILE 40 lone 5 100 - 5 - HG2 LYS 77 - QG2 ILE 40 lone 5 100 - 5 - HB3 GLU 87 - QG2 ILE 40 lone 4 96 - 4 - 4.1/6716=2 HD2 LYS 86 - QG2 ILE 40 lone 2 60 - 3 - HD2 LYS 63 - QG2 ILE 40 lone 2 76 - 3 - Peak 5436 from cnoeabs.peaks (1.46, 0.82, 16.23 ppm; 3.38 A): 3 out of 10 assignments used, quality = 0.95: QB ALA 31 + QG2 ILE 40 OK 84 99 - 84 - 5091/3.3=20, 7073=11...(29) HB2 LYS 41 + QG2 ILE 40 OK 51 96 - 54 - 4.0/170=14, 1.8/5462=7...(17) HB ILE 51 + QG2 ILE 40 OK 37 100 - 38 - 5750/5451=6, 5440/3.3=5...(19) QG2 THR 67 - QG2 ILE 40 OK 22 100 - 22 - 6065/5387=3, 5440/3.3=2...(8) HG13 ILE 51 - QG2 ILE 40 OK 17 73 - 24 - 5758/5451=5, ~7162=4...(12) HG12 ILE 80 - QG2 ILE 40 OK 15 100 - 15 - 6520/3.2=2, 5440/3.3=1, ~6528=1 HG2 LYS 44 - QG2 ILE 40 OK 10 92 - 11 - 1.8/5435=2, 5440/3.3=1 HG3 LYS 94 - QG2 ILE 40 lone 6 90 - 6 - HG2 LYS 63 - QG2 ILE 40 lone 3 73 - 4 - HG3 LYS 63 - QG2 ILE 40 lone 3 73 - 4 - Peak 5437 from cnoeabs.peaks (2.02, 0.82, 16.23 ppm; 4.06 A): 4 out of 8 assignments used, quality = 0.97: HG2 PRO 49 + QG2 ILE 40 OK 67 83 - 81 - 2.3/5435=28, 2.3/5438=28...(13) HB3 MET 50 + QG2 ILE 40 OK 66 100 - 66 - 4.0/5385=22, 5666=13...(14) HB2 LYS 35 + QG2 ILE 40 OK 47 65 - 71 - 7076/3.2=14, ~7074=12...(14) QE MET 50 + QG2 ILE 40 OK 46 98 - 47 - 6.0/5385=12, 3.3/5667=8...(12) HB2 GLU 23 - QG2 ILE 40 OK 22 87 - 25 - 4.0/4859=4, 5666=3...(11) HG2 PRO 92 - QG2 ILE 40 lone 10 100 - 10 - ~2040=2, ~5445=1...(5) HB VAL 25 - QG2 ILE 40 lone 5 57 - 9 - 4.0/674=1, ~2042=1 HB3 GLN 36 - QG2 ILE 40 lone 4 99 - 4 - Peak 5438 from cnoeabs.peaks (2.22, 0.82, 16.23 ppm; 3.51 A): 2 out of 6 assignments used, quality = 0.81: HB2 PRO 49 + QG2 ILE 40 OK 76 100 - 77 - 1.8/5435=25, 2.3/5415=24...(13) HB VAL 30 + QG2 ILE 40 OK 20 68 - 29 - 4.4/2018=8, 5434/2.1=3...(12) HB3 GLN 48 - QG2 ILE 40 lone 5 76 - 7 - 3.8/5387=2, 4.8/5655=2 HG3 GLU 87 - QG2 ILE 40 lone 3 81 - 4 - 3.0/5435=1 HG2 GLU 65 - QG2 ILE 40 lone 3 68 - 4 - HG2 GLU 58 - QG2 ILE 40 lone 2 85 - 2 - Peak 5439 from cnoeabs.peaks (1.47, 0.53, 28.46 ppm; 4.87 A): 3 out of 8 assignments used, quality = 1.00: QB ALA 31 + HG13 ILE 40 OK 97 99 - 99 - 5091/2.1=39, 5092=32...(26) HB2 LYS 41 + HG13 ILE 40 OK 70 100 - 70 - 4.0/172=31, ~5462=11...(16) HB ILE 51 + HG13 ILE 40 OK 52 93 - 56 - 5750/6131=13, ~7162=11...(13) QG2 THR 67 - HG13 ILE 40 OK 21 85 - 24 - 5440/2.1=4, 2.1/5423=4...(8) HG2 LYS 44 - HG13 ILE 40 OK 14 100 - 14 - 5440/2.1=2, ~5435=2...(5) HG12 ILE 80 - HG13 ILE 40 OK 11 85 - 13 - 6520/3.8=4, 5440/2.1=3...(4) HG2 LYS 86 - HG13 ILE 40 lone 6 73 - 8 - ~5442=2, ~5667=1, ~5444=1 HG LEU 53 - HG13 ILE 40 lone 5 63 - 7 - ~2024=2, 5798/5425=2, 7095/2.1=1 Peak 5440 from cnoeabs.peaks (1.47, 0.75, 13.50 ppm; 3.04 A): 5 out of 8 assignments used, quality = 0.94: QB ALA 31 + QD1 ILE 40 OK 84 100 - 84 - 5091=35, 2.1/5089=25...(31) HB ILE 51 + QD1 ILE 40 OK 34 98 - 35 - 3.2/7162=8, 5750/5455=5...(12) HB2 LYS 41 + QD1 ILE 40 OK 29 100 - 29 - 5436/3.3=4, ~5462=4...(11) QG2 THR 67 + QD1 ILE 40 OK 17 93 - 18 - 2.1/5427=2, 5436/3.3=2...(5) HG12 ILE 80 + QD1 ILE 40 OK 10 93 - 11 - 6520/4.2=1, 5436/3.3=1 HG2 LYS 44 - QD1 ILE 40 lone 8 99 - 8 - HG3 LYS 94 - QD1 ILE 40 lone 4 71 - 5 - HG2 LYS 86 - QD1 ILE 40 lone 3 60 - 5 - 1.8/5442=1 Peak 5441 from cnoeabs.peaks (1.34, 0.75, 13.50 ppm; 4.74 A): 3 out of 3 assignments used, quality = 0.94: HB VAL 68 + QD1 ILE 40 OK 92 97 - 95 - 2.1/5455=50, ~6131=33...(15) HG12 ILE 93 + QD1 ILE 40 OK 18 92 - 19 - ~6854=3, 4.9/5396=2...(9) HG12 ILE 37 + QD1 ILE 40 OK 11 89 - 12 - ~5271=2, 5270/3.2=2...(4) Peak 5442 from cnoeabs.peaks (1.26, 0.75, 13.50 ppm; 4.72 A): 5 out of 6 assignments used, quality = 0.95: HG3 LYS 35 + QD1 ILE 40 OK 86 100 - 86 - 3.9/5430=31, 3.0/5444=25...(15) HG13 ILE 39 + QD1 ILE 40 OK 35 73 - 48 - 3.2/7162=16, 165/4.7=11...(9) HG12 ILE 16 + QD1 ILE 40 OK 19 63 - 31 - 4594/5455=8, 2.1/5454=7...(7) QB ALA 98 + QD1 ILE 40 OK 16 100 - 16 - 6135/5455=3, 2.9/5396=2...(5) HG3 LYS 86 + QD1 ILE 40 OK 13 96 - 14 - 6135/5455=3, 4.7/5399=2...(5) QG2 THR 26 - QD1 ILE 40 lone 9 100 - 8 - 4928/3.3=2, 4891/5405=1 Peak 5444 from cnoeabs.peaks (2.04, 0.75, 13.50 ppm; 3.65 A): 4 out of 6 assignments used, quality = 0.90: HB2 LYS 35 + QD1 ILE 40 OK 85 100 - 85 - 3.0/5430=25, 7076/2.1=23...(16) HB3 MET 50 + QD1 ILE 40 OK 19 87 - 22 - 5666/3.3=6, ~5663=4...(8) HB3 GLU 23 + QD1 ILE 40 OK 13 93 - 13 - 4856/4.2=2, 3.0/5427=2...(6) QE MET 50 + QD1 ILE 40 OK 11 93 - 12 - ~5667=3, 2481/2.1=2...(4) HG2 PRO 92 - QD1 ILE 40 poor 9 83 - 11 - 2.3/2040=3, 1.8/5445=3...(4) HB2 LYS 86 - QD1 ILE 40 lone 5 76 - 6 - 2.8/5442=2, 4.0/5399=1 Peak 5445 from cnoeabs.peaks (2.18, 0.75, 13.50 ppm; 3.87 A): 5 out of 10 assignments used, quality = 0.90: HB3 LYS 35 + QD1 ILE 40 OK 67 78 - 86 - 3.0/5430=27, 1.8/5444=24...(15) HB VAL 30 + QD1 ILE 40 OK 45 97 - 46 - 4.4/2039=10, 2.1/5051=8...(14) HB2 PHE 88 + QD1 ILE 40 OK 27 100 - 27 - 2.5/4748=5, 6715/3.3=4...(10) HB3 PRO 92 + QD1 ILE 40 OK 14 95 - 15 - 3.0/2040=3, 2.3/5444=2...(5) HG3 PRO 92 + QD1 ILE 40 OK 14 98 - 14 - 2.3/2040=4, 1.8/5444=3...(4) HB3 GLN 48 - QD1 ILE 40 lone 6 95 - 6 - HG2 GLU 65 - QD1 ILE 40 lone 5 97 - 5 - ~6018=1 HG3 GLU 87 - QD1 ILE 40 lone 5 92 - 5 - HB2 PRO 73 - QD1 ILE 40 lone 5 85 - 5 - 3.0/5426=2 HB3 GLU 58 - QD1 ILE 40 lone 1 68 - 2 - Peak 5446 from cnoeabs.peaks (2.79, 0.75, 13.50 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.91: HB3 PHE 70 + QD1 ILE 40 OK 69 98 - 71 - 2.5/5403=16, 1.8/5447=12...(19) HB3 PHE 34 + QD1 ILE 40 OK 66 89 - 75 - 5202=22, 2.4/5402=17...(20) HB3 TYR 33 + QD1 ILE 40 OK 15 60 - 26 - 4.3/5193=11, 4.0/5401=6...(5) HB3 ASP 84 - QD1 ILE 40 lone 4 96 - 4 - Peak 5447 from cnoeabs.peaks (3.43, 0.75, 13.50 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.94: HB2 PHE 70 + QD1 ILE 40 OK 77 99 - 78 - 2.5/5403=19, 1.8/5446=18...(19) HB2 PHE 34 + QD1 ILE 40 OK 75 95 - 79 - 1.8/5202=23, 2.4/5402=19...(19) HB2 PHE 83 - QD1 ILE 40 OK 26 100 - 26 - 2.4/5401=6, ~4735=4...(11) HA ILE 80 - QD1 ILE 40 OK 13 96 - 14 - 6148/5455=1, 3.8/5440=1...(5) HB2 SER 89 - QD1 ILE 40 poor 9 81 - 11 - 6726/3.3=3, 5433/4.2=1...(4) Peak 5448 from cnoeabs.peaks (0.02, 3.79, 61.01 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.91: QG1 VAL 68 + HA ILE 40 OK 91 96 - 95 - 5451/3.2=40, 5455/4.2=35...(18) Peak 5450 from cnoeabs.peaks (0.30, 0.82, 16.23 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 68 + QG2 ILE 40 OK 97 100 - 97 - 2.1/5451=49, ~5455=27...(23) QD1 LEU 21 + QG2 ILE 40 OK 48 90 - 53 - 5454/3.3=10, 4811/3.2=7...(15) Peak 5451 from cnoeabs.peaks (0.01, 0.82, 16.23 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 68 + QG2 ILE 40 OK 81 100 - 81 - 5455/3.3=25, 6131/3.2=22...(19) Peak 5452 from cnoeabs.peaks (0.01, 1.64, 28.46 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.96: QG1 VAL 68 + HG12 ILE 40 OK 96 100 - 96 - 5455/2.1=48, 6131/1.8=46...(26) QG1 VAL 68 - HG12 ILE 27 OK 16 58 - 28 - 6136/1.8=6, 6138=4...(9) Peak 5453 from cnoeabs.peaks (0.01, 0.53, 28.46 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 68 + HG13 ILE 40 OK 95 100 - 95 - 6131=50, 5455/2.1=45...(19) Peak 5454 from cnoeabs.peaks (0.28, 0.75, 13.50 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.95: QG2 VAL 68 + QD1 ILE 40 OK 89 96 - 93 - 2.1/5455=46, ~6131=25...(27) QD1 LEU 21 + QD1 ILE 40 OK 55 100 - 55 - 4811/2.1=8, 4823=8...(19) QD1 ILE 16 - QD1 ILE 40 OK 26 65 - 40 - 4596/5455=9, 7057/5441=4...(13) Peak 5455 from cnoeabs.peaks (0.01, 0.75, 13.50 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.86: QG1 VAL 68 + QD1 ILE 40 OK 86 100 - 86 - 6132=37, 6131/2.1=24...(24) Peak 5459 from cnoeabs.peaks (0.88, 4.06, 57.23 ppm; 3.91 A): 3 out of 4 assignments used, quality = 0.74: QG2 THR 42 + HA LYS 41 OK 63 99 - 64 - 2.1/5500=29, 4.0/175=25...(10) QG2 ILE 39 + HA LYS 41 OK 21 100 - 22 - 6273/7081=4, 5367/7082=3...(8) QD1 ILE 51 + HA LYS 41 OK 11 97 - 11 - 5708/3.0=3, 779/3.6=2...(4) QG1 VAL 18 - HA LYS 41 lone 9 95 - 10 - 779/3.6=2, 4719/4.0=1 Peak 5462 from cnoeabs.peaks (0.82, 1.20, 33.42 ppm; 5.06 A): 3 out of 8 assignments used, quality = 0.91: QG2 ILE 40 + HB3 LYS 41 OK 83 100 - 84 - 4.1/769=31, 3.2/5432=23...(28) QG1 VAL 30 + HB3 LYS 41 OK 29 73 - 40 - 3.2/7084=9, 4.2/2066=6...(12) QG2 ILE 16 + HB3 LYS 41 OK 26 95 - 28 - 170/4.0=4, 4588/1.8=4...(10) QG2 VAL 25 - HB3 LYS 41 lone 8 100 - 8 - 7067/3.0=1, 170/4.0=1 QD2 LEU 62 - HB3 LYS 41 lone 8 81 - 10 - 170/4.0=1 QD1 ILE 93 - HB3 LYS 41 poor 8 60 - 13 - ~2087=2, ~2051=2...(4) QG2 ILE 80 - HB3 LYS 41 lone 5 65 - 8 - QG1 VAL 25 - HB3 LYS 41 lone 5 71 - 7 - ~7067=1 Peak 5463 from cnoeabs.peaks (2.03, 1.20, 33.42 ppm; 4.81 A): 2 out of 8 assignments used, quality = 1.00: HB3 MET 50 + HB3 LYS 41 OK 97 100 - 97 - 5665=30, 1.8/5662=29...(32) QE MET 50 + HB3 LYS 41 OK 96 100 - 96 - 5673=32, 5694/4.8=26...(26) HB2 GLU 23 - HB3 LYS 41 OK 12 68 - 17 - 5665=3, 3.0/5464=2...(7) HB2 LYS 35 - HB3 LYS 41 OK 12 85 - 14 - 5457/4.0=3, 5465/1.8=3...(8) HB3 GLU 23 - HB3 LYS 41 poor 10 60 - 16 - 1.8/5665=3, 3.0/5464=2...(6) HG2 PRO 49 - HB3 LYS 41 poor 10 63 - 15 - 5628/5729=2, 5437/5462=1...(9) HG2 PRO 92 - HB3 LYS 41 lone 8 100 - 7 - 4374/4.6=1, 5465/1.8=1 HB3 GLN 36 - HB3 LYS 41 lone 5 90 - 6 - 4.6/747=1 Peak 5464 from cnoeabs.peaks (2.28, 1.20, 33.42 ppm; 5.46 A): 1 out of 6 assignments used, quality = 0.97: HG2 MET 50 + HB3 LYS 41 OK 97 100 - 97 - 2.9/5662=29, 3.3/5673=28...(29) HB3 LYS 86 - HB3 LYS 41 OK 31 99 - 31 - 5466/1.8=7, 5467/3.0=4...(12) HG2 GLU 28 - HB3 LYS 41 OK 19 95 - 21 - 5466/1.8=7, ~5005=4...(5) HG3 GLU 23 - HB3 LYS 41 OK 13 73 - 17 - 5466/1.8=3, 3.0/5665=3...(6) HB3 PRO 73 - HB3 LYS 41 OK 12 76 - 15 - 2.3/5476=3, ~5475=3...(6) HG3 GLN 36 - HB3 LYS 41 lone 3 63 - 5 - Peak 5465 from cnoeabs.peaks (2.03, 1.47, 33.42 ppm; 4.83 A): 2 out of 7 assignments used, quality = 1.00: HB3 MET 50 + HB2 LYS 41 OK 95 99 - 96 - 5665/1.8=25, ~5662=22...(33) QE MET 50 + HB2 LYS 41 OK 95 100 - 95 - 5673/1.8=31, 5694/4.8=26...(24) HB2 LYS 35 - HB2 LYS 41 OK 16 92 - 18 - 5457/4.0=3, 7075/5439=2...(9) HB3 GLU 23 - HB2 LYS 41 OK 11 71 - 16 - 3.0/5466=2, ~5665=2...(6) HB2 GLU 23 - HB2 LYS 41 poor 10 57 - 17 - 5665/1.8=3, 3.0/5466=2...(7) HG2 PRO 92 - HB2 LYS 41 lone 7 98 - 7 - 4374/4.6=1, 5463/1.8=1 HB3 GLN 36 - HB2 LYS 41 lone 4 83 - 5 - Peak 5466 from cnoeabs.peaks (2.27, 1.47, 33.42 ppm; 5.38 A): 1 out of 5 assignments used, quality = 0.96: HG2 MET 50 + HB2 LYS 41 OK 96 99 - 97 - ~5662=21, 5464/1.8=21...(31) HB3 LYS 86 - HB2 LYS 41 OK 32 90 - 35 - 5464/1.8=7, 5467/3.0=4...(17) HG2 GLU 28 - HB2 LYS 41 OK 31 100 - 31 - 5001=6, 1.8/5005=5...(9) HG3 GLU 23 - HB2 LYS 41 OK 15 92 - 16 - 5464/1.8=3, ~5665=2...(6) HG2 GLU 58 - HB2 LYS 41 lone 4 57 - 7 - ~5903=2, ~5900=2 Peak 5467 from cnoeabs.peaks (2.28, 1.40, 24.75 ppm; 5.08 A): 2 out of 24 assignments used, quality = 0.94: HG2 MET 50 + HG2 LYS 41 OK 92 100 - 92 - 3.3/5672=19, 5464/3.0=17...(26) HB3 LYS 86 + HG2 LYS 41 OK 26 99 - 26 - 5464/3.0=5, 5466/3.0=5...(9) HG2 GLU 28 - HG2 LYS 41 OK 15 95 - 16 - 5466/3.0=5, 5464/3.0=3...(5) HG2 MET 50 - HG2 LYS 61 OK 12 60 - 20 - 5701/5.0=7, 3.3/5672=3...(5) HG2 MET 50 - HG3 LYS 61 OK 11 56 - 20 - 5701/5.0=7, 3.3/5672=3...(5) HB3 PRO 73 - HG2 LYS 41 poor 10 76 - 13 - 2.3/5479=2, 5464/3.0=2...(6) HG3 GLU 23 - HG2 LYS 41 poor 9 73 - 12 - 5466/3.0=3, 5464/3.0=2...(5) HB3 LYS 86 - HG2 LYS 61 poor 8 57 - 14 - 5701/5.0=6, 4.0/997=1...(5) HB3 LYS 86 - HG3 LYS 61 poor 8 54 - 14 - 5701/5.0=6, 4.0/997=1...(5) HG2 MET 50 - HG3 LYS 45 lone 7 87 - 8 - 3.3/5672=1, 1.8/7187=1 HB3 LYS 86 - HG3 LYS 45 lone 7 85 - 8 - HG3 GLN 36 - HG2 LYS 41 lone 3 63 - 4 - HB3 PRO 73 - HG3 LYS 45 lone 2 60 - 4 - HG2 GLU 28 - HG3 LYS 45 lone 2 79 - 2 - HG3 GLN 36 - HG2 LYS 61 lone 2 30 - 6 - ~7077=1, 7078/3.0=1 HG3 GLN 36 - HG3 LYS 61 lone 2 29 - 6 - ~7077=1, 7078/3.0=1 HG3 GLU 23 - HG2 LYS 61 lone 1 37 - 3 - HG3 GLU 23 - HG3 LYS 45 lone 1 58 - 2 - HG3 GLU 23 - HG3 LYS 61 lone 1 35 - 3 - HG2 GLU 28 - HG2 LYS 61 lone 1 52 - 2 - HG3 GLN 36 - HG3 LYS 45 lone 1 49 - 2 - HG2 GLU 28 - HG3 LYS 61 lone 1 49 - 2 - HB3 PRO 73 - HG2 LYS 61 lone 1 38 - 2 - HB3 PRO 73 - HG3 LYS 61 lone 1 36 - 2 - Peak 5470 from cnoeabs.peaks (3.75, 4.06, 57.23 ppm; 4.32 A): 3 out of 6 assignments used, quality = 0.77: HB THR 42 + HA LYS 41 OK 64 83 - 77 - 5500=33, 4.0/175=29...(11) HA VAL 30 + HA LYS 41 OK 29 100 - 29 - 7084/3.0=6, 3.0/103=4...(15) HA2 GLY 60 + HA LYS 41 OK 13 92 - 14 - 3.0/5929=8, ~267=2...(4) HA2 GLY 64 - HA LYS 41 lone 6 99 - 5 - 5980/3.6=2, 7084/3.0=2 HA2 GLY 20 - HA LYS 41 lone 5 92 - 5 - 7084/3.0=1, 778/3.6=1 HA2 GLY 22 - HA LYS 41 lone 1 73 - 1 - Peak 5471 from cnoeabs.peaks (4.40, 4.06, 57.23 ppm; 4.02 A): 3 out of 8 assignments used, quality = 0.98: HA ASP 71 + HA LYS 41 OK 89 97 - 92 - 6263/3.0=28, 6251=16...(26) HA THR 42 + HA LYS 41 OK 62 78 - 79 - 3.0/175=34, 3.0/5500=25...(15) HA MET 50 + HA LYS 41 OK 59 76 - 78 - ~5696=12, 3.8/7081=10...(29) HA PRO 74 - HA LYS 41 OK 19 100 - 18 - 2.3/7081=3, 5476/3.0=3...(11) HA PRO 73 - HA LYS 41 OK 14 99 - 14 - 5.0/7081=2, 5476/3.0=2...(4) HA THR 59 - HA LYS 41 OK 10 60 - 17 - 3.6/5929=6, 5476/3.0=2...(6) HA SER 29 - HA LYS 41 poor 9 87 - 11 - 3.6/103=3, 2.9/695=2...(5) HB THR 46 - HA LYS 41 lone 6 97 - 7 - 5557/7081=1 Peak 5473 from cnoeabs.peaks (3.72, 1.47, 33.42 ppm; 5.22 A): 2 out of 7 assignments used, quality = 0.94: HB THR 42 + HB2 LYS 41 OK 80 96 - 84 - 5500/3.0=35, 2140/4.6=25...(14) HB2 SER 69 + HB2 LYS 41 OK 73 87 - 84 - 1.8/5474=38, ~7083=33...(15) HA VAL 30 - HB2 LYS 41 OK 30 65 - 46 - 7084/1.8=9, 3.6/2056=8...(15) HD2 PRO 74 - HB2 LYS 41 OK 15 60 - 25 - 3.6/5475=4, 2.5/5475=3...(12) HA2 GLY 20 - HB2 LYS 41 lone 9 89 - 9 - 7084/1.8=2, 3.6/4163=2 HA2 GLY 64 - HB2 LYS 41 poor 8 71 - 11 - 7084/1.8=3, 778/4.6=2 HA LEU 21 - HB2 LYS 41 poor 6 60 - 10 - 2.9/4163=2, ~4164=1 Peak 5474 from cnoeabs.peaks (3.63, 1.47, 33.42 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.88: HB3 SER 69 + HB2 LYS 41 OK 88 100 - 88 - 7083/1.8=40, 6195=23...(15) HA ALA 76 - HB2 LYS 41 poor 8 63 - 12 - ~6368=3, ~4186=2, 2.1/2063=1 HA2 GLY 90 - HB2 LYS 41 lone 2 73 - 3 - Peak 5475 from cnoeabs.peaks (4.41, 1.47, 33.42 ppm; 4.75 A): 2 out of 7 assignments used, quality = 1.00: HA ASP 71 + HB2 LYS 41 OK 98 100 - 98 - 6263/1.8=42, 6262/3.0=26...(33) HA MET 50 + HB2 LYS 41 OK 83 93 - 89 - 3.0/5661=18, ~5662=17...(26) HA PRO 74 - HB2 LYS 41 OK 31 99 - 31 - 5476/1.8=4, 5479/3.0=3...(13) HA THR 59 - HB2 LYS 41 OK 20 83 - 24 - 5487/4.8=3, 5476/1.8=3...(11) HA PRO 73 - HB2 LYS 41 OK 20 92 - 21 - 5476/1.8=3, 2.5/5473=2...(11) HA SER 29 - HB2 LYS 41 OK 12 65 - 18 - 3.6/5036=4, 2.9/5021=4...(6) HB THR 46 - HB2 LYS 41 lone 7 85 - 9 - 5557/5668=1, 5476/1.8=1 Peak 5476 from cnoeabs.peaks (4.41, 1.20, 33.42 ppm; 4.23 A): 2 out of 7 assignments used, quality = 0.99: HA ASP 71 + HB3 LYS 41 OK 96 100 - 96 - 6263=42, 6262/3.0=22...(31) HA MET 50 + HB3 LYS 41 OK 78 93 - 84 - 3.0/5662=19, 3.0/5665=17...(26) HA PRO 74 - HB3 LYS 41 OK 23 99 - 24 - 5475/1.8=4, 5479/3.0=2...(12) HA THR 59 - HB3 LYS 41 OK 16 83 - 19 - 5487/4.8=3, 5475/1.8=2...(10) HA PRO 73 - HB3 LYS 41 OK 16 92 - 17 - 5475/1.8=2, 5471/3.0=2...(11) HA SER 29 - HB3 LYS 41 lone 6 65 - 9 - ~5021=2, 5475/1.8=1...(5) HB THR 46 - HB3 LYS 41 lone 6 85 - 7 - Peak 5477 from cnoeabs.peaks (4.82, 1.20, 33.42 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.80: HA PHE 70 + HB3 LYS 41 OK 72 100 - 72 - 5469/4.0=31, 3.6/6257=24...(10) HA ILE 51 + HB3 LYS 41 OK 30 85 - 36 - 3.0/5729=11, 5478/1.8=8...(10) HA THR 55 - HB3 LYS 41 lone 3 73 - 3 - Peak 5478 from cnoeabs.peaks (4.83, 1.47, 33.42 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.80: HA PHE 70 + HB2 LYS 41 OK 72 95 - 77 - 5469/4.0=38, 5477/1.8=31...(12) HA ILE 51 + HB2 LYS 41 OK 27 63 - 44 - 5477/1.8=13, ~5729=11...(10) Peak 5479 from cnoeabs.peaks (4.42, 1.40, 24.75 ppm; 4.19 A): 2 out of 24 assignments used, quality = 0.98: HA ASP 71 + HG2 LYS 41 OK 94 100 - 94 - 6262=32, 6263/3.0=31...(30) HA MET 50 + HG2 LYS 41 OK 76 97 - 78 - 5481/1.8=10, 5476/3.0=10...(26) HA PRO 74 - HG2 LYS 41 OK 28 96 - 29 - 3.5/6354=4, 5476/3.0=3...(13) HB THR 46 - HG3 LYS 45 OK 19 60 - 31 - ~7087=10, ~5563=9...(5) HA THR 59 - HG2 LYS 41 OK 19 90 - 20 - 5487/3.8=3, 5488/3.8=3...(8) HA PRO 73 - HG2 LYS 41 OK 17 85 - 20 - 5476/3.0=2, 5475/3.0=2...(12) HA ASP 71 - HG3 LYS 45 OK 16 87 - 18 - 6262=5, 6261/1.8=2...(4) HA THR 59 - HG2 LYS 61 OK 14 48 - 30 - 3.0/5911=8, ~5911=7...(7) HA THR 59 - HG3 LYS 61 OK 14 46 - 30 - 3.0/5911=8, ~5911=7...(7) HA ASP 71 - HG2 LYS 61 poor 10 59 - 17 - 6262=3, 6262/1.8=2...(6) HA ASP 71 - HG3 LYS 61 poor 9 56 - 17 - 6262=3, 6262/1.8=2...(6) HA PRO 74 - HG3 LYS 45 lone 7 80 - 8 - 6332/1.8=1, 3.5/6354=1 HB THR 46 - HG2 LYS 41 lone 6 76 - 7 - 4.1/202=1 HA MET 50 - HG3 LYS 45 lone 5 82 - 6 - HA MET 50 - HG2 LYS 61 lone 4 55 - 7 - 5.4/5672=1, 3.8/5467=1 HA MET 50 - HG3 LYS 61 lone 4 52 - 7 - 5.4/5672=1, 3.8/5467=1 HA PRO 73 - HG3 LYS 45 lone 3 69 - 5 - HA PRO 74 - HG2 LYS 61 lone 3 53 - 6 - 3.5/6354=2 HA PRO 74 - HG3 LYS 61 lone 3 50 - 6 - 3.5/6354=2 HA THR 59 - HG3 LYS 45 lone 2 74 - 3 - HA PRO 73 - HG2 LYS 61 lone 1 44 - 2 - HB THR 46 - HG2 LYS 61 lone 1 38 - 2 - HA PRO 73 - HG3 LYS 61 lone 1 42 - 2 - HB THR 46 - HG3 LYS 61 lone 1 36 - 2 - Peak 5481 from cnoeabs.peaks (4.42, 1.51, 24.75 ppm; 4.25 A): 2 out of 15 assignments used, quality = 0.97: HA ASP 71 + HG3 LYS 41 OK 89 96 - 93 - 6263/3.0=30, 6262/1.8=26...(30) HA MET 50 + HG3 LYS 41 OK 74 100 - 75 - ~5662=10, 5476/3.0=9...(26) HA PRO 74 - HG3 LYS 41 OK 19 81 - 24 - 5479/1.8=3, 5488/3.8=3...(12) HA THR 59 - HG3 LYS 41 OK 19 99 - 19 - 5487/3.8=3, 5488/3.8=3...(7) HA ASP 71 - HG2 LYS 45 OK 13 78 - 17 - 6262/1.8=4, 6261=2...(6) HA PRO 73 - HG3 LYS 41 OK 12 63 - 19 - 5479/1.8=2, 5476/3.0=2...(9) HA PRO 73 - HG13 ILE 93 poor 7 44 - 15 - ~6841=4, ~6838=3...(5) HA ASP 71 - HG13 ILE 93 lone 5 73 - 6 - HA MET 50 - HG2 LYS 45 lone 4 86 - 5 - HA MET 50 - HG13 ILE 93 lone 4 81 - 4 - ~6854=1 HA PRO 74 - HG2 LYS 45 lone 3 63 - 5 - HA THR 59 - HG2 LYS 45 lone 2 83 - 3 - HA PRO 73 - HG2 LYS 45 lone 2 47 - 4 - HA PRO 74 - HG13 ILE 93 lone 1 58 - 2 - HA THR 59 - HG13 ILE 93 lone 1 78 - 1 - Peak 5482 from cnoeabs.peaks (4.41, 1.63, 29.58 ppm; 4.21 A): 4 out of 14 assignments used, quality = 1.00: HA ASP 71 + HD3 LYS 41 OK 92 100 - 92 - 6263/3.8=26, 6262/3.0=22...(30) HA ASP 71 + HD2 LYS 41 OK 92 100 - 92 - 6263/3.8=26, 6262/3.0=22...(30) HA MET 50 + HD2 LYS 41 OK 49 93 - 53 - 5476/3.8=8, 5481/3.0=8...(15) HA MET 50 + HD3 LYS 41 OK 49 93 - 53 - 5476/3.8=8, 5481/3.0=8...(15) HA PRO 74 - HD2 LYS 41 OK 30 99 - 30 - 3.5/6353=5, 5487/3.0=3...(14) HA PRO 74 - HD3 LYS 41 OK 30 99 - 30 - 3.5/6353=5, 5487/3.0=3...(14) HA THR 59 - HD3 LYS 41 OK 19 83 - 22 - 5487/3.0=4, 5488/3.0=3...(8) HA THR 59 - HD2 LYS 41 OK 19 83 - 22 - 5487/3.0=4, 5488/3.0=3...(8) HA PRO 73 - HD2 LYS 41 OK 18 92 - 19 - 2.5/7085=2, 5487/3.0=2...(9) HA PRO 73 - HD3 LYS 41 OK 18 92 - 19 - 2.5/7085=2, 5487/3.0=2...(9) HB THR 46 - HD3 LYS 41 lone 5 85 - 6 - HB THR 46 - HD2 LYS 41 lone 5 85 - 6 - HA SER 29 - HD2 LYS 41 lone 4 65 - 6 - HA SER 29 - HD3 LYS 41 lone 4 65 - 6 - Peak 5486 from cnoeabs.peaks (7.21, 1.63, 29.58 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.85: HD22 ASN 14 + HD3 LYS 41 OK 61 99 - 61 - 4525=16, 4525/1.8=13...(12) HD22 ASN 14 + HD2 LYS 41 OK 61 99 - 61 - 4525=16, 4525/1.8=13...(12) H LYS 77 - HD2 LYS 41 poor 10 90 - 11 - 6413/3.0=2, 1177/6353=2...(4) H LYS 77 - HD3 LYS 41 poor 10 90 - 11 - 6413/3.0=2, 1177/6353=2...(4) HD22 ASN 43 - HD2 LYS 41 lone 2 90 - 2 - HD22 ASN 43 - HD3 LYS 41 lone 2 90 - 2 - Peak 5487 from cnoeabs.peaks (4.42, 3.09, 41.56 ppm; 4.08 A): 5 out of 6 assignments used, quality = 0.93: HA ASP 71 + HE3 LYS 41 OK 81 100 - 82 - 6259=26, 6263/4.8=19...(18) HA MET 50 + HE3 LYS 41 OK 36 97 - 37 - 5488/1.8=9, 5481/3.8=7...(10) HA THR 59 + HE3 LYS 41 OK 21 89 - 23 - 3.0/5908=5, 5488/1.8=4...(10) HA PRO 74 + HE3 LYS 41 OK 17 97 - 18 - 5488/1.8=4, 5482/3.0=2...(8) HA PRO 73 + HE3 LYS 41 OK 10 87 - 12 - 5488/1.8=2, 5476/4.8=1...(8) HB THR 46 - HE3 LYS 41 lone 3 78 - 4 - Peak 5488 from cnoeabs.peaks (4.42, 3.05, 41.56 ppm; 4.16 A): 5 out of 12 assignments used, quality = 0.94: HA ASP 71 + HE2 LYS 41 OK 79 99 - 80 - 6259/1.8=24, 6263/4.8=19...(18) HA MET 50 + HE2 LYS 41 OK 47 99 - 47 - 5.4/5694=16, 5487/1.8=8...(11) HA THR 59 + HE2 LYS 41 OK 21 95 - 21 - 5487/1.8=5, ~5908=3...(11) HA PRO 74 + HE2 LYS 41 OK 21 92 - 22 - 5487/1.8=4, 3.5/933=4...(9) HA PRO 73 + HE2 LYS 41 OK 10 78 - 13 - 5487/1.8=2, 5476/4.8=1...(8) HA THR 59 - HE2 LYS 61 poor 10 48 - 20 - ~5913=5, ~5916=5...(6) HA ASP 71 - HE2 LYS 61 lone 4 54 - 8 - 6262/3.9=2, 6262/3.9=1 HB THR 46 - HE2 LYS 41 lone 3 68 - 4 - HA MET 50 - HE2 LYS 61 lone 2 53 - 4 - 5.4/5694=1 HA PRO 74 - HE2 LYS 61 lone 2 46 - 4 - 3.5/933=2 HA PRO 73 - HE2 LYS 61 lone 1 37 - 2 - HB THR 46 - HE2 LYS 61 lone 0 31 - 1 - Peak 5489 from cnoeabs.peaks (1.67, 3.73, 70.24 ppm; 5.29 A): 6 out of 18 assignments used, quality = 0.82: HB2 MET 50 + HB THR 42 OK 60 87 - 70 - 5677=20, 1.8/5679=20...(11) HD2 LYS 44 + HB THR 42 OK 18 95 - 19 - 5493/2.1=6, ~5493=4...(4) HD3 LYS 44 + HB THR 42 OK 18 93 - 19 - 5493/2.1=6, ~5493=4...(4) HB ILE 40 + HB THR 42 OK 13 93 - 13 - ~5421=5, 5493/2.1=4, ~7162=3 HD3 LYS 94 + HB THR 42 OK 12 98 - 11 - 5493/2.1=3, ~5493=2...(5) HD2 LYS 94 + HB THR 42 OK 12 98 - 11 - 5493/2.1=3, ~5493=2...(5) HG12 ILE 27 - HB THR 42 poor 10 97 - 10 - 4096/4.7=4, 5493/2.1=2 QB ALA 79 - HB THR 42 lone 9 100 - 9 - 6459/4.0=2, 5493/2.1=2 HG12 ILE 40 - HB THR 42 poor 8 63 - 13 - ~5421=4, ~7162=4...(4) HD2 LYS 61 - HB THR 42 lone 5 95 - 5 - 5493/2.1=1 HD3 LYS 61 - HB THR 42 lone 5 95 - 5 - 5493/2.1=1 HG12 ILE 39 - HB THR 42 lone 4 73 - 5 - 3.8/5500=2, 5493/2.1=1 HB3 LYS 61 - HB THR 42 lone 3 97 - 3 - HG3 ARG 57 - HB THR 42 lone 3 96 - 3 - HD3 LYS 63 - HB THR 42 lone 3 95 - 3 - HG2 ARG 57 - HB THR 42 lone 3 93 - 3 - HD3 LYS 35 - HB THR 42 lone 3 89 - 3 - HG3 GLN 19 - HB THR 42 lone 3 81 - 4 - Peak 5490 from cnoeabs.peaks (1.48, 3.73, 70.24 ppm; 5.06 A): 5 out of 10 assignments used, quality = 0.95: HB2 LYS 41 + HB THR 42 OK 79 97 - 82 - 3.0/5500=36, 4.6/2140=25...(13) QB ALA 31 + HB THR 42 OK 44 89 - 49 - 5492/2.1=9, ~4417=7...(14) HG3 LYS 41 + HB THR 42 OK 40 63 - 65 - 4.0/5500=30, 3.0/7084=16...(9) HG2 LYS 44 + HB THR 42 OK 18 99 - 18 - 5492/2.1=5, ~5493=3...(6) HB ILE 51 + HB THR 42 OK 12 76 - 16 - 5492/2.1=4, 176/4.0=2...(6) QG2 THR 67 - HB THR 42 poor 9 63 - 14 - 6057/4.7=3, 5492/2.1=3...(4) HG2 LYS 94 - HB THR 42 poor 8 68 - 12 - 2.9/5489=2, 2.9/5489=2...(6) HG2 LYS 86 - HB THR 42 lone 7 92 - 7 - 179/4.0=2, ~7091=1, ~5025=1 HG12 ILE 80 - HB THR 42 lone 5 63 - 8 - 5492/2.1=2, 176/4.0=1 HG LEU 53 - HB THR 42 lone 3 85 - 3 - Peak 5491 from cnoeabs.peaks (1.46, 4.38, 60.77 ppm; 4.84 A): 3 out of 20 assignments used, quality = 0.98: HB2 LYS 41 + HA THR 42 OK 88 99 - 89 - ~175=20, 176/3.0=18...(22) QB ALA 31 + HA SER 29 OK 65 92 - 71 - 3.5/1152=16, 5077/3.6=15...(13) QB ALA 31 + HA THR 42 OK 53 100 - 53 - 3.5/1152=12, 5492/3.2=9...(15) HB ILE 51 - HA SER 29 OK 21 91 - 23 - 5036/3.6=7, 5021/2.9=6...(5) QG2 THR 67 - HA THR 42 OK 21 97 - 21 - 6057/3.6=6, 6079=4...(4) HB ILE 51 - HA THR 42 OK 20 100 - 20 - 5492/3.2=4, 176/3.0=2...(7) HB2 LYS 41 - HA SER 29 OK 17 89 - 19 - 5036/3.6=4, 5021/2.9=4...(6) HG12 ILE 80 - HA SER 29 OK 16 87 - 18 - 4325/3.6=6, 5021/2.9=3...(6) HG2 LYS 44 - HA THR 42 OK 15 97 - 15 - 5492/3.2=5, ~5493=2...(5) HG12 ILE 80 - HA THR 42 OK 14 97 - 14 - 5492/3.2=2, 176/3.0=2...(6) QG2 THR 67 - HA SER 29 OK 12 87 - 13 - 5021/2.9=4, 5036/3.6=2...(4) HG2 LYS 44 - HA SER 29 poor 9 87 - 11 - 5021/2.9=3, 5036/3.6=2 HG13 ILE 51 - HA THR 42 poor 8 60 - 13 - ~779=2, 7190/5631=2...(5) HG3 LYS 94 - HA THR 42 lone 8 81 - 9 - ~179=1, 5492/3.2=1...(4) HG13 ILE 51 - HA SER 29 poor 6 50 - 12 - ~5021=4, ~5724=3, ~5024=3 HG3 LYS 63 - HA THR 42 lone 2 60 - 4 - HG2 LYS 63 - HA THR 42 lone 2 60 - 4 - HG3 LYS 94 - HA SER 29 lone 2 69 - 3 - HG3 LYS 63 - HA SER 29 lone 1 50 - 3 - HG2 LYS 63 - HA SER 29 lone 1 50 - 3 - Peak 5492 from cnoeabs.peaks (1.47, 0.88, 21.14 ppm; 4.36 A): 5 out of 8 assignments used, quality = 0.92: HB2 LYS 41 + QG2 THR 42 OK 67 100 - 68 - 3.0/5459=21, ~5500=18...(10) QB ALA 31 + QG2 THR 42 OK 50 100 - 50 - 5090=5, 5490/2.1=5...(19) HG2 LYS 44 + QG2 THR 42 OK 28 99 - 28 - 3.7/5543=15, 3.0/5493=4...(7) HB ILE 51 + QG2 THR 42 OK 21 98 - 21 - 3.8/824=4, 7190/5502=2...(9) QG2 THR 67 + QG2 THR 42 OK 16 93 - 17 - 6057/4.2=4, 6079/3.2=3 HG12 ILE 80 - QG2 THR 42 poor 9 93 - 10 - 5649/5497=1, 6957/5509=1...(4) HG3 LYS 94 - QG2 THR 42 lone 7 71 - 10 - 2.9/5493=2, 2.9/5493=2...(4) HG2 LYS 86 - QG2 THR 42 lone 3 60 - 6 - Peak 5493 from cnoeabs.peaks (1.67, 0.88, 21.14 ppm; 4.70 A): 7 out of 19 assignments used, quality = 0.81: HB2 MET 50 + QG2 THR 42 OK 44 76 - 58 - 4.0/5509=21, 5677/2.1=14...(9) HD2 LYS 44 + QG2 THR 42 OK 24 99 - 25 - 5.4/5543=12, 3.0/5492=5...(5) HD3 LYS 44 + QG2 THR 42 OK 24 98 - 25 - 5.4/5543=12, 3.0/5492=5...(5) HB ILE 40 + QG2 THR 42 OK 17 98 - 17 - 3.2/7162=4, 5434/5495=4...(5) HD2 LYS 94 + QG2 THR 42 OK 10 100 - 10 - 5489/2.1=2, ~5489=1...(4) HD3 LYS 94 + QG2 THR 42 OK 10 100 - 10 - 5489/2.1=2, ~5489=1...(4) HG12 ILE 27 + QG2 THR 42 OK 10 92 - 11 - 4096/4.2=3, 5489/2.1=2...(4) QB ALA 79 - QG2 THR 42 lone 8 100 - 8 - 6459/4.0=2, 5489/2.1=1 HG12 ILE 39 - QG2 THR 42 lone 6 85 - 7 - 4.6/755=1 HD2 LYS 61 - QG2 THR 42 lone 5 99 - 5 - HD3 LYS 61 - QG2 THR 42 lone 5 99 - 5 - HG3 ARG 57 - QG2 THR 42 lone 3 99 - 3 - HG2 ARG 57 - QG2 THR 42 lone 3 98 - 3 - HD3 LYS 35 - QG2 THR 42 lone 3 96 - 3 - HD3 LYS 63 - QG2 THR 42 lone 3 99 - 3 - HB3 LYS 61 - QG2 THR 42 lone 3 92 - 3 - HG3 GLN 19 - QG2 THR 42 lone 2 68 - 3 - HD3 LYS 45 - QG2 THR 42 lone 2 63 - 3 - HD2 LYS 77 - QG2 THR 42 lone 1 60 - 2 - Peak 5495 from cnoeabs.peaks (2.24, 0.88, 21.14 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.76: HB2 PRO 49 + QG2 THR 42 OK 72 89 - 82 - 2.3/5502=37, 3.0/5497=31...(8) HG2 GLU 28 + QG2 THR 42 OK 14 68 - 20 - 3.7/5498=9, 1626/4.2=4 HG3 GLU 23 - QG2 THR 42 lone 4 92 - 4 - HG2 GLU 58 - QG2 THR 42 lone 2 100 - 2 - Peak 5496 from cnoeabs.peaks (3.28, 0.88, 21.14 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.77: HB2 ASN 43 + QG2 THR 42 OK 77 99 - 79 - 782/4.2=34, 5532=21...(9) Peak 5497 from cnoeabs.peaks (3.84, 0.88, 21.14 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.60: HD2 PRO 49 + QG2 THR 42 OK 60 100 - 60 - 3.6/5502=24, 3.8/7189=20...(6) HB THR 55 - QG2 THR 42 lone 7 95 - 7 - ~7194=1, 5861/3.2=1, 5595/7189=1 HB2 SER 11 - QG2 THR 42 lone 4 100 - 4 - 5595/7189=1 Peak 5498 from cnoeabs.peaks (3.99, 0.88, 21.14 ppm; 3.56 A): 0 out of 7 assignments used, low quality = 0.37: HA LYS 44 - QG2 THR 42 OK 27 100 - 28 - 5543=16, 5574/5510=6...(6) HA GLU 28 - QG2 THR 42 OK 14 95 - 15 - 2.9/4173=4, 3.7/5495=3...(5) HB3 SER 96 - QG2 THR 42 lone 6 63 - 10 - 4.5/5509=5, 3.0/7189=3 HB2 SER 29 - QG2 THR 42 lone 6 95 - 6 - 3.0/2145=2, ~5500=1 HA SER 75 - QG2 THR 42 lone 3 71 - 4 - 2.9/6363=1 HB3 SER 89 - QG2 THR 42 lone 1 100 - 1 - HA ARG 57 - QG2 THR 42 lone 1 65 - 2 - Peak 5499 from cnoeabs.peaks (4.18, 0.88, 21.14 ppm; 3.56 A): 1 out of 6 assignments used, quality = 0.53: HA3 GLY 47 + QG2 THR 42 OK 53 99 - 54 - 3.0/5510=21, 1.8/5582=18...(4) HA TYR 33 - QG2 THR 42 poor 10 85 - 11 - ~4422=3, ~1158=3...(5) HA ALA 78 - QG2 THR 42 lone 2 65 - 3 - HA3 GLY 60 - QG2 THR 42 lone 2 99 - 2 - HA3 GLY 90 - QG2 THR 42 lone 0 76 - 1 - HB THR 99 - QG2 THR 42 lone 0 81 - 1 - Peak 5500 from cnoeabs.peaks (4.06, 3.73, 70.24 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.67: HA LYS 41 + HB THR 42 OK 67 100 - 67 - 175/4.0=25, 5459/2.1=21...(11) HB3 SER 29 - HB THR 42 lone 5 93 - 5 - ~5498=3, ~2145=1 HA3 GLY 38 - HB THR 42 lone 4 89 - 5 - 5349/2.1=1 HA ILE 39 - HB THR 42 lone 3 73 - 4 - 175/4.0=1 Peak 5501 from cnoeabs.peaks (4.58, 3.73, 70.24 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.71: HA PRO 49 + HB THR 42 OK 64 99 - 65 - 5502/2.1=29, 5631/3.0=23...(7) HA ASP 12 + HB THR 42 OK 20 78 - 25 - 5502/2.1=8, 7143/3.0=6...(6) Peak 5502 from cnoeabs.peaks (4.59, 0.88, 21.14 ppm; 3.21 A): 2 out of 4 assignments used, quality = 0.70: HA PRO 49 + QG2 THR 42 OK 64 99 - 65 - 5501/2.1=14, 3.6/5497=14...(9) HA ASP 12 + QG2 THR 42 OK 16 99 - 16 - 5501/2.1=4, 7143/3.2=4...(5) HA ASN 13 - QG2 THR 42 lone 2 78 - 2 - HA ASP 56 - QG2 THR 42 lone 1 68 - 1 - Peak 5505 from cnoeabs.peaks (8.89, 4.38, 60.77 ppm; 4.65 A): 3 out of 6 assignments used, quality = 0.76: H MET 50 + HA THR 42 OK 64 92 - 70 - 5509/3.2=24, 3.6/5631=24...(7) H PHE 97 + HA THR 42 OK 25 100 - 25 - 5509/3.2=11, 5506/3.0=10...(4) H MET 50 + HA SER 29 OK 12 80 - 15 - 7052=4, 3.6/5631=3...(5) H PHE 97 - HA SER 29 lone 3 91 - 3 - H ALA 66 - HA SER 29 lone 2 50 - 3 - ~5023=2 H ALA 66 - HA THR 42 lone 1 60 - 2 - Peak 5509 from cnoeabs.peaks (8.88, 0.88, 21.14 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.67: H MET 50 + QG2 THR 42 OK 57 99 - 57 - 3.6/5502=25, 3.8/5495=17...(6) H PHE 97 + QG2 THR 42 OK 25 99 - 25 - 5506/4.0=6, 5505/3.2=5...(7) Peak 5510 from cnoeabs.peaks (8.64, 0.88, 21.14 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.77: H GLY 47 + QG2 THR 42 OK 77 100 - 77 - 5581=28, 3.0/5499=28...(10) H GLY 85 - QG2 THR 42 lone 5 78 - 7 - 5513/4.2=2 Peak 5511 from cnoeabs.peaks (8.64, 0.88, 21.14 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.77: H GLY 47 + QG2 THR 42 OK 77 100 - 77 - 5581=28, 3.0/5499=28...(10) H GLY 85 - QG2 THR 42 lone 5 78 - 7 - 5513/4.2=2 Peak 5512 from cnoeabs.peaks (7.66, 0.88, 21.14 ppm; 4.00 A): 3 out of 4 assignments used, quality = 0.92: H GLN 48 + QG2 THR 42 OK 84 99 - 85 - 5610=30, 3.0/7189=25...(10) HD21 ASN 43 + QG2 THR 42 OK 44 96 - 47 - 3.5/5496=22, 5.7/4173=12...(5) H SER 69 + QG2 THR 42 OK 13 90 - 14 - 6208/5509=4, 5520/4.2=4 H TYR 54 - QG2 THR 42 lone 1 83 - 1 - Peak 5514 from cnoeabs.peaks (8.64, 3.27, 38.75 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.94: H GLY 47 + HB2 ASN 43 OK 94 100 - 94 - 5575=50, 5576/1.8=37...(11) H GLY 85 - HB2 ASN 43 poor 7 68 - 10 - 5516/1.8=3, 5513/4.0=2 Peak 5515 from cnoeabs.peaks (7.42, 3.27, 38.75 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.90: H THR 46 + HB2 ASN 43 OK 90 99 - 91 - 5554=49, 5553/1.8=33...(8) QD PHE 34 - HB2 ASN 43 poor 10 95 - 10 - 5517/1.8=4, 5586/5608=2 H ALA 76 - HB2 ASN 43 lone 6 63 - 10 - 5517/1.8=3, 5586/5608=1...(4) HE3 TRP 82 - HB2 ASN 43 lone 1 71 - 1 - Peak 5516 from cnoeabs.peaks (8.64, 2.55, 38.75 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.94: H GLY 47 + HB3 ASN 43 OK 94 100 - 94 - 5575/1.8=49, 5576=43...(11) H GLY 85 - HB3 ASN 43 poor 9 78 - 11 - 5514/1.8=3, 5513/4.0=3 H GLY 47 - HB2 ASN 13 lone 1 35 - 4 - H GLY 85 - HB2 ASN 13 lone 1 22 - 3 - Peak 5517 from cnoeabs.peaks (7.42, 2.55, 38.75 ppm; 5.04 A): 2 out of 6 assignments used, quality = 0.92: H THR 46 + HB3 ASN 43 OK 91 100 - 91 - 5554/1.8=48, 5553=42...(8) QD PHE 34 + HB3 ASN 43 OK 11 100 - 11 - 5515/1.8=4, 5586/5607=2 H ALA 76 - HB3 ASN 43 poor 10 85 - 11 - 5515/1.8=2, 1117/3.5=2...(4) H THR 46 - HB2 ASN 13 lone 2 35 - 4 - 5553=1 QD PHE 34 - HB2 ASN 13 lone 1 34 - 3 - H ALA 76 - HB2 ASN 13 lone 1 25 - 3 - Peak 5518 from cnoeabs.peaks (7.18, 3.27, 38.75 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.93: HD22 ASN 43 + HB2 ASN 43 OK 93 93 - 100 - 3.5=100 Peak 5522 from cnoeabs.peaks (4.41, 3.27, 38.75 ppm; 4.20 A): 6 out of 8 assignments used, quality = 0.94: HB THR 46 + HB2 ASN 43 OK 67 90 - 75 - 4.1/5554=24, 2.1/5561=24...(11) HA MET 50 + HB2 ASN 43 OK 50 89 - 56 - 3.8/5689=21, 3.8/5683=18...(6) HA THR 42 + HB2 ASN 43 OK 41 63 - 65 - 3.6/782=34, 3.2/5496=25...(8) HA PRO 74 + HB2 ASN 43 OK 19 100 - 18 - 5523/1.8=4, 2.3/5528=3...(6) HA PRO 73 + HB2 ASN 43 OK 13 96 - 13 - 6306/1.8=4, 5.0/5528=2...(5) HA ASP 71 + HB2 ASN 43 OK 12 100 - 12 - 3.0/5528=2, 5523/1.8=2...(6) HA SER 29 - HB2 ASN 43 lone 4 73 - 5 - 185/4.0=1 HA THR 59 - HB2 ASN 43 lone 2 76 - 2 - Peak 5523 from cnoeabs.peaks (4.40, 2.55, 38.75 ppm; 3.95 A): 5 out of 16 assignments used, quality = 0.91: HB THR 46 + HB3 ASN 43 OK 65 97 - 68 - ~5561=16, 4.4/5576=15...(11) HA THR 42 + HB3 ASN 43 OK 44 76 - 58 - 3.6/783=27, ~5496=15...(8) HA MET 50 + HB3 ASN 43 OK 37 78 - 47 - 3.8/5684=16, 3.8/5534=12...(6) HA PRO 74 + HB3 ASN 43 OK 18 100 - 18 - 2.3/5534=4, 5522/1.8=3...(6) HA PRO 73 + HB3 ASN 43 OK 15 99 - 15 - 6306=3, 5522/1.8=2...(7) HA ASP 71 - HB3 ASN 43 lone 10 98 - 10 - 3.0/5534=2, 5522/1.8=2, ~5528=1 HA PRO 73 - HB2 ASN 13 poor 6 33 - 19 - 6306=7, 4537/4.6=6...(4) HA SER 29 - HB3 ASN 43 lone 4 85 - 5 - 185/4.0=2 HA PRO 74 - HB2 ASN 13 lone 3 35 - 8 - 4537/4.6=3, 4.5/6306=3 HA ASP 71 - HB2 ASN 13 lone 1 32 - 5 - 4537/4.6=3 HA THR 59 - HB3 ASN 43 lone 1 63 - 2 - HA THR 42 - HB2 ASN 13 lone 1 21 - 4 - HB THR 46 - HB2 ASN 13 lone 1 31 - 2 - HA MET 50 - HB2 ASN 13 lone 1 22 - 3 - HA SER 29 - HB2 ASN 13 lone 0 25 - 1 - HA THR 59 - HB2 ASN 13 lone 0 17 - 1 - Peak 5528 from cnoeabs.peaks (2.40, 3.27, 38.75 ppm; 4.45 A): 4 out of 5 assignments used, quality = 0.94: HG3 MET 50 + HB2 ASN 43 OK 80 89 - 90 - 5689=32, 1.8/5683=27...(14) HG3 GLN 48 + HB2 ASN 43 OK 59 95 - 62 - 3.0/5611=28, 5.0/5608=25...(7) HB3 PRO 74 + HB2 ASN 43 OK 18 89 - 20 - 5534/1.8=5, 2.3/5522=4...(7) HB3 ASP 71 + HB2 ASN 43 OK 15 85 - 17 - 5534/1.8=4, 5524/4.0=3...(7) HG2 GLN 36 - HB2 ASN 43 lone 2 71 - 3 - Peak 5529 from cnoeabs.peaks (2.02, 3.27, 38.75 ppm; 5.26 A): 2 out of 7 assignments used, quality = 0.99: QE MET 50 + HB2 ASN 43 OK 93 99 - 94 - 5690/3.0=40, 7193=36...(10) HB3 MET 50 + HB2 ASN 43 OK 90 100 - 90 - 2.9/5689=38, 2.9/5683=32...(10) HG2 PRO 49 - HB2 ASN 43 lone 6 78 - 8 - 5526/4.0=5, 5536/1.8=2 HB3 GLN 36 - HB2 ASN 43 lone 4 97 - 4 - HB2 GLU 23 - HB2 ASN 43 lone 3 83 - 4 - HG2 PRO 92 - HB2 ASN 43 lone 3 100 - 3 - HB2 LYS 35 - HB2 ASN 43 lone 1 71 - 2 - Peak 5530 from cnoeabs.peaks (1.81, 3.27, 38.75 ppm; 5.05 A): 3 out of 7 assignments used, quality = 0.92: HB2 GLN 48 + HB2 ASN 43 OK 87 100 - 87 - 5611=50, 3.8/5608=40...(9) HB ILE 39 + HB2 ASN 43 OK 25 90 - 28 - 2.1/5532=8, 5537/1.8=6...(7) HB ILE 93 + HB2 ASN 43 OK 12 100 - 12 - 5537/1.8=3, ~6820=2...(5) HB2 LYS 94 - HB2 ASN 43 lone 6 90 - 6 - 5580/5575=2, 5537/1.8=1 HG2 GLU 87 - HB2 ASN 43 lone 3 99 - 3 - HG LEU 62 - HB2 ASN 43 lone 3 100 - 3 - HB3 GLU 65 - HB2 ASN 43 lone 3 87 - 3 - Peak 5531 from cnoeabs.peaks (1.13, 3.27, 38.75 ppm; 4.95 A): 4 out of 5 assignments used, quality = 0.95: QG2 THR 46 + HB2 ASN 43 OK 91 100 - 92 - 5561=40, 4.0/5554=33...(11) QG2 THR 15 + HB2 ASN 43 OK 17 76 - 23 - 5538/1.8=5, 4046/4.0=4...(6) HB3 LEU 21 + HB2 ASN 43 OK 15 81 - 19 - 5538/1.8=4, 5542/3.5=4...(5) HB2 LEU 21 + HB2 ASN 43 OK 13 76 - 17 - 5538/1.8=4, 5542/3.5=3...(5) HG13 ILE 27 - HB2 ASN 43 poor 10 65 - 15 - 4097/4.0=3, 5538/1.8=3...(5) Peak 5532 from cnoeabs.peaks (0.88, 3.27, 38.75 ppm; 5.08 A): 4 out of 4 assignments used, quality = 0.94: QG2 THR 42 + HB2 ASN 43 OK 88 99 - 89 - 5496=48, 4.2/782=39...(9) QG2 ILE 39 + HB2 ASN 43 OK 35 100 - 35 - 2.1/5530=7, 5539/1.8=7...(9) QD1 ILE 51 + HB2 ASN 43 OK 23 97 - 23 - 5539/1.8=5, 187/4.0=5...(6) QG1 VAL 18 + HB2 ASN 43 OK 12 95 - 13 - 5539/1.8=3, 5533/3.0=2...(5) Peak 5533 from cnoeabs.peaks (0.89, 4.53, 52.54 ppm; 4.83 A): 4 out of 5 assignments used, quality = 0.87: QG2 THR 42 + HA ASN 43 OK 79 96 - 82 - 4173/2.9=33, 5496/3.0=32...(9) QG2 ILE 39 + HA ASN 43 OK 22 100 - 22 - 5532/3.0=7, 5539/3.0=5...(5) QD1 ILE 51 + HA ASN 43 OK 13 92 - 14 - 187/2.9=5, 5532/3.0=4 QD1 ILE 39 + HA ASN 43 OK 10 68 - 15 - ~5532=4, ~5539=3...(5) QG1 VAL 18 - HA ASN 43 lone 8 89 - 9 - 5532/3.0=2, 187/2.9=2 Peak 5534 from cnoeabs.peaks (2.39, 2.55, 38.75 ppm; 4.01 A): 4 out of 10 assignments used, quality = 0.91: HG3 MET 50 + HB3 ASN 43 OK 79 99 - 80 - 5689/1.8=26, 1.8/5684=23...(12) HG3 GLN 48 + HB3 ASN 43 OK 40 76 - 53 - 5.0/5607=17, ~5611=16...(8) HB3 PRO 74 + HB3 ASN 43 OK 17 99 - 17 - 5528/1.8=3, 2.3/5523=3...(7) HB3 ASP 71 + HB3 ASN 43 OK 14 98 - 14 - 5524/4.0=3, 5528/1.8=3...(6) HG2 PRO 73 - HB3 ASN 43 lone 5 60 - 9 - 3.8/5523=2, 5578/5576=2...(5) HB3 PRO 74 - HB2 ASN 13 lone 3 33 - 9 - 5.0/6306=3, ~6335=2, ~6337=2 HG2 PRO 73 - HB2 ASN 13 lone 2 16 - 10 - 3.8/6306=4, ~6322=2, ~6327=2 HG3 MET 50 - HB2 ASN 13 lone 1 33 - 3 - HB3 ASP 71 - HB2 ASN 13 lone 1 32 - 3 - HG3 GLN 48 - HB2 ASN 13 lone 0 21 - 2 - Peak 5535 from cnoeabs.peaks (2.28, 2.55, 38.75 ppm; 4.42 A): 1 out of 12 assignments used, quality = 0.90: HG2 MET 50 + HB3 ASN 43 OK 90 99 - 90 - 5684=34, 5683/1.8=26...(12) HG2 GLU 28 - HB3 ASN 43 poor 9 89 - 10 - 5525/4.0=7, 5.1/2160=1 HB3 LYS 86 - HB3 ASN 43 lone 9 100 - 9 - 5684=3, 5683/1.8=2, 5525/4.0=2 HB3 PRO 73 - HB3 ASN 43 lone 7 85 - 8 - 2.3/5523=3, ~5522=2, 2.3/5534=1 HB3 PRO 73 - HB2 ASN 13 poor 3 25 - 12 - 2.3/6306=7, ~6322=2, ~6327=2 HG3 GLN 36 - HB3 ASN 43 lone 2 73 - 3 - HG3 GLU 23 - HB3 ASN 43 lone 2 63 - 3 - HG2 MET 50 - HB2 ASN 13 lone 1 34 - 4 - HB3 LYS 86 - HB2 ASN 13 lone 1 35 - 2 - HG3 GLU 23 - HB2 ASN 13 lone 1 17 - 4 - 4082/4.6=1 HG2 GLU 28 - HB2 ASN 13 lone 0 27 - 1 - HG3 GLN 36 - HB2 ASN 13 lone 0 21 - 2 - Peak 5536 from cnoeabs.peaks (2.02, 2.55, 38.75 ppm; 4.63 A): 2 out of 14 assignments used, quality = 0.94: QE MET 50 + HB3 ASN 43 OK 77 90 - 85 - 7193/1.8=33, 5690/3.0=31...(9) HB3 MET 50 + HB3 ASN 43 OK 73 96 - 77 - 2.9/5684=26, ~5689=22...(9) HG2 PRO 49 - HB3 ASN 43 lone 6 95 - 6 - 5526/4.0=4 HB3 GLN 36 - HB3 ASN 43 lone 3 100 - 3 - HB2 GLU 23 - HB3 ASN 43 lone 3 97 - 3 - HG2 PRO 92 - HB3 ASN 43 lone 2 97 - 2 - HB VAL 25 - HB3 ASN 43 lone 2 76 - 2 - HB2 GLU 23 - HB2 ASN 13 lone 1 31 - 4 - ~4872=1 HB3 MET 50 - HB2 ASN 13 lone 1 31 - 4 - QE MET 50 - HB2 ASN 13 lone 1 28 - 2 - HB3 GLN 36 - HB2 ASN 13 lone 1 35 - 2 - HG2 PRO 49 - HB2 ASN 13 lone 0 30 - 1 - HG2 PRO 92 - HB2 ASN 13 lone 0 32 - 1 - HB VAL 25 - HB2 ASN 13 lone 0 21 - 1 - Peak 5537 from cnoeabs.peaks (1.82, 2.55, 38.75 ppm; 5.07 A): 4 out of 18 assignments used, quality = 0.88: HB2 GLN 48 + HB3 ASN 43 OK 78 97 - 80 - 5611/1.8=41, 3.8/5607=34...(8) HB ILE 39 + HB3 ASN 43 OK 27 99 - 28 - 2.1/5539=7, 5530/1.8=7...(7) HB2 PRO 74 + HB3 ASN 43 OK 16 81 - 20 - 1.8/5534=5, 2.3/5523=4...(5) HB ILE 93 + HB3 ASN 43 OK 12 99 - 12 - 5530/1.8=3, ~6820=2...(5) HB2 LYS 94 - HB3 ASN 43 lone 6 99 - 6 - 5580/5576=2, 5530/1.8=2 HB2 PRO 74 - HB2 ASN 13 poor 3 23 - 14 - 5.0/6306=5, ~6335=3...(4) HB3 GLU 65 - HB3 ASN 43 lone 3 99 - 3 - HG2 GLU 87 - HB3 ASN 43 lone 3 90 - 3 - HG LEU 62 - HB3 ASN 43 lone 3 100 - 3 - HB2 LYS 61 - HB3 ASN 43 lone 1 78 - 2 - HB ILE 39 - HB2 ASN 13 lone 1 34 - 3 - HB2 GLN 48 - HB2 ASN 13 lone 1 32 - 3 - HB3 GLU 65 - HB2 ASN 13 lone 1 33 - 2 - HB2 LYS 94 - HB2 ASN 13 lone 1 34 - 2 - HB ILE 93 - HB2 ASN 13 lone 1 33 - 2 - HG LEU 62 - HB2 ASN 13 lone 1 34 - 2 - HG2 GLU 87 - HB2 ASN 13 lone 0 28 - 2 - HB2 LYS 61 - HB2 ASN 13 lone 0 22 - 2 - Peak 5538 from cnoeabs.peaks (1.14, 2.55, 38.75 ppm; 5.00 A): 5 out of 10 assignments used, quality = 0.92: QG2 THR 46 + HB3 ASN 43 OK 83 97 - 86 - 5561/1.8=36, 4.3/5576=25...(10) QG2 THR 15 + HB3 ASN 43 OK 20 87 - 23 - 4046/4.0=5, 5531/1.8=5...(6) HB3 LEU 21 + HB3 ASN 43 OK 17 90 - 18 - 5531/1.8=4, 5542/3.5=4...(5) HB2 LEU 21 + HB3 ASN 43 OK 15 87 - 17 - 5531/1.8=4, 5542/3.5=4...(5) HG13 ILE 27 + HB3 ASN 43 OK 12 78 - 15 - 4097/4.0=4, 5531/1.8=3...(5) QG2 THR 15 - HB2 ASN 13 lone 2 26 - 8 - ~4872=3, 4547/4.0=3 QG2 THR 46 - HB2 ASN 13 lone 1 32 - 3 - HB3 LEU 21 - HB2 ASN 13 lone 0 28 - 2 - HB2 LEU 21 - HB2 ASN 13 lone 0 26 - 2 - HG13 ILE 27 - HB2 ASN 13 lone 0 22 - 2 - Peak 5539 from cnoeabs.peaks (0.87, 2.55, 38.75 ppm; 5.16 A): 4 out of 14 assignments used, quality = 0.93: QG2 THR 42 + HB3 ASN 43 OK 84 100 - 84 - 5496/1.8=45, 4.2/783=36...(8) QG2 ILE 39 + HB3 ASN 43 OK 33 95 - 35 - 5532/1.8=9, 2.1/5537=7...(10) QD1 ILE 51 + HB3 ASN 43 OK 23 100 - 23 - 5532/1.8=6, 187/4.0=5...(6) QG1 VAL 18 + HB3 ASN 43 OK 13 100 - 12 - 5532/1.8=3, 187/4.0=2...(5) QG2 ILE 37 - HB3 ASN 43 poor 9 73 - 12 - 3.2/5280=4, 3.2/5285=3 QG2 VAL 30 - HB3 ASN 43 lone 4 68 - 6 - 187/4.0=2 QG2 ILE 37 - HB2 ASN 13 poor 3 21 - 12 - 3.2/5280=3, 3.2/5285=3 QG2 THR 42 - HB2 ASN 13 lone 2 35 - 5 - 5502/3.0=1, 4.2/783=1 QG2 ILE 80 - HB3 ASN 43 lone 2 60 - 3 - QG2 ILE 39 - HB2 ASN 13 lone 1 30 - 3 - QD1 ILE 51 - HB2 ASN 13 lone 1 35 - 2 - QG1 VAL 18 - HB2 ASN 13 lone 1 35 - 2 - QG2 ILE 80 - HB2 ASN 13 lone 1 16 - 4 - 4.4/6548=2 QG2 VAL 30 - HB2 ASN 13 lone 0 19 - 2 - Peak 5543 from cnoeabs.peaks (0.88, 3.99, 57.96 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.51: QG2 THR 42 + HA LYS 44 OK 37 100 - 38 - 5498=23, 5510/5544=8...(6) QD1 ILE 51 + HA LYS 44 OK 22 99 - 23 - 5724=8, 5744/3.7=3...(6) QG2 ILE 39 - HA LYS 44 lone 6 99 - 6 - 5581/5544=1 QG1 VAL 18 - HA LYS 44 lone 3 98 - 3 - Peak 5544 from cnoeabs.peaks (8.63, 3.99, 57.96 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.66: H GLY 47 + HA LYS 44 OK 66 97 - 68 - 5574=33, 5547/3.6=25...(5) H GLY 85 - HA LYS 44 lone 8 96 - 9 - 5547/3.6=4, ~6651=1 Peak 5551 from cnoeabs.peaks (8.64, 1.95, 32.57 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.93: H GLY 47 + HB3 LYS 45 OK 73 100 - 73 - 1096/4.0=37, 5547/4.0=26...(5) H GLY 47 + HB2 LYS 45 OK 73 100 - 73 - 1096/4.0=37, 5547/4.0=26...(5) H GLY 85 - HB3 LYS 45 OK 23 73 - 31 - 6646=5, 3.6/6629=4...(12) H GLY 85 - HB2 LYS 45 OK 23 73 - 31 - 6646=5, 3.6/6629=4...(12) Peak 5557 from cnoeabs.peaks (2.37, 4.39, 70.74 ppm; 3.66 A): 3 out of 5 assignments used, quality = 0.59: HG2 GLN 48 + HB THR 46 OK 35 65 - 55 - 1.8/5601=14, 3.0/5559=13...(7) HG3 MET 50 + HB THR 46 OK 26 99 - 26 - 5560/2.1=10, 5578/4.4=6...(8) HG2 PRO 73 + HB THR 46 OK 15 93 - 16 - 5560/2.1=6, 2.3/5558=3...(4) HB3 ASP 71 - HB THR 46 lone 9 99 - 9 - 5560/2.1=4, 5578/4.4=3 HB3 PRO 74 - HB THR 46 lone 7 99 - 7 - 5560/2.1=3, 5578/4.4=3 Peak 5558 from cnoeabs.peaks (2.18, 4.39, 70.74 ppm; 4.77 A): 2 out of 10 assignments used, quality = 0.72: HB3 GLN 48 + HB THR 46 OK 66 90 - 74 - 1.8/5559=27, 3.0/5604=18...(7) HB2 PRO 73 + HB THR 46 OK 16 90 - 18 - 2.3/5557=8, ~5560=7, ~5563=3 HG3 GLU 87 - HB THR 46 lone 4 87 - 4 - 1.8/5559=2, 6688/3.0=1 HG2 GLU 65 - HB THR 46 lone 3 95 - 3 - HB VAL 30 - HB THR 46 lone 3 95 - 3 - HB2 PHE 88 - HB THR 46 lone 2 100 - 2 - HB3 PRO 92 - HB THR 46 lone 1 97 - 1 - HG3 PRO 92 - HB THR 46 lone 1 99 - 1 - HB3 LYS 35 - HB THR 46 lone 1 85 - 1 - HB3 GLU 58 - HB THR 46 lone 1 76 - 1 - Peak 5559 from cnoeabs.peaks (1.81, 4.39, 70.74 ppm; 4.73 A): 2 out of 7 assignments used, quality = 0.79: HB2 GLN 48 + HB THR 46 OK 77 100 - 78 - 1.8/5558=26, 3.0/5604=18...(12) HB ILE 93 + HB THR 46 OK 10 100 - 10 - 5580/4.4=2, ~6846=1...(4) HB ILE 39 - HB THR 46 poor 9 90 - 10 - 5580/4.4=3, 2.1/5369=2, ~5564=1 HB2 LYS 94 - HB THR 46 lone 9 90 - 9 - 5580/4.4=3, ~6864=2, ~6858=1 HG2 GLU 87 - HB THR 46 lone 4 99 - 4 - 1.8/5558=2 HB3 GLU 65 - HB THR 46 lone 3 87 - 3 - HG LEU 62 - HB THR 46 lone 2 100 - 2 - Peak 5560 from cnoeabs.peaks (2.38, 1.13, 20.93 ppm; 4.53 A): 4 out of 4 assignments used, quality = 0.56: HG3 MET 50 + QG2 THR 46 OK 31 100 - 32 - 5557/2.1=12, 5578/4.3=10...(5) HG2 PRO 73 + QG2 THR 46 OK 19 87 - 21 - 5557/2.1=7, 5578/4.3=6...(4) HB3 ASP 71 + QG2 THR 46 OK 12 100 - 12 - 5578/4.3=5, 5557/2.1=5 HB3 PRO 74 + QG2 THR 46 OK 10 100 - 10 - 5578/4.3=4, 5557/2.1=4 Peak 5561 from cnoeabs.peaks (3.26, 1.13, 20.93 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.91: HB2 ASN 43 + QG2 THR 46 OK 91 99 - 92 - 5554/4.0=35, 5575/4.3=35...(11) Peak 5563 from cnoeabs.peaks (1.94, 1.13, 20.93 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.84: HB3 LYS 45 + QG2 THR 46 OK 57 99 - 59 - 7087=21, 4.0/799=17...(9) HB2 LYS 45 + QG2 THR 46 OK 57 99 - 59 - 7087=21, 4.0/799=17...(9) HG3 PRO 73 + QG2 THR 46 OK 13 99 - 12 - 1.8/5560=5, ~5557=3...(4) HB VAL 95 - QG2 THR 46 lone 6 100 - 6 - 6877/3.2=2, 5579/4.3=1 HG3 PRO 49 - QG2 THR 46 lone 2 100 - 2 - Peak 5564 from cnoeabs.peaks (1.69, 1.13, 20.93 ppm; 4.53 A): 2 out of 18 assignments used, quality = 0.58: HD3 LYS 45 + QG2 THR 46 OK 36 90 - 40 - 3.6/7087=16, 3.6/7087=16...(5) HD2 LYS 45 + QG2 THR 46 OK 35 87 - 40 - 3.6/7087=16, 3.6/7087=16...(5) HG12 ILE 39 - QG2 THR 46 lone 6 99 - 6 - ~5559=2, ~5369=1 HD3 LYS 94 - QG2 THR 46 lone 5 99 - 5 - ~5559=1 HD2 LYS 94 - QG2 THR 46 lone 5 99 - 5 - ~5559=1 QB ALA 79 - QG2 THR 46 lone 4 89 - 5 - 6463/4.0=2 HD2 LYS 77 - QG2 THR 46 lone 4 89 - 4 - 6.3/5570=2 HD3 LYS 44 - QG2 THR 46 lone 3 100 - 3 - 193/5546=1 HD2 LYS 44 - QG2 THR 46 lone 3 100 - 3 - 193/5546=1 HB ILE 40 - QG2 THR 46 lone 2 100 - 2 - HD2 LYS 61 - QG2 THR 46 lone 2 100 - 2 - HD3 LYS 61 - QG2 THR 46 lone 2 100 - 2 - HD3 LYS 63 - QG2 THR 46 lone 2 100 - 2 - HD3 LYS 35 - QG2 THR 46 lone 1 100 - 1 - HG2 ARG 57 - QG2 THR 46 lone 1 100 - 1 - HG3 ARG 57 - QG2 THR 46 lone 1 100 - 1 - HB3 LYS 61 - QG2 THR 46 lone 1 65 - 2 - HG12 ILE 27 - QG2 THR 46 lone 1 65 - 1 - Peak 5565 from cnoeabs.peaks (5.64, 1.13, 20.93 ppm; 4.42 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5566 from cnoeabs.peaks (5.63, 4.39, 70.74 ppm; 4.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5567 from cnoeabs.peaks (7.66, 4.39, 70.74 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.95: H GLN 48 + HB THR 46 OK 87 100 - 87 - 5593/3.0=29, 211/4.4=28...(13) HD21 ASN 43 + HB THR 46 OK 63 97 - 65 - ~5570=18, ~5542=17...(11) H SER 69 - HB THR 46 lone 6 87 - 6 - 5571/4.1=2 H TYR 54 - HB THR 46 lone 3 87 - 3 - Peak 5568 from cnoeabs.peaks (7.65, 1.13, 20.93 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.96: H GLN 48 + QG2 THR 46 OK 84 100 - 85 - 211/4.3=30, 5593/3.2=29...(10) HD21 ASN 43 + QG2 THR 46 OK 75 100 - 75 - 1.7/5570=27, 3.5/5561=22...(10) H SER 69 - QG2 THR 46 lone 4 65 - 6 - 5571/4.0=2, 5567/2.1=1 H TYR 54 - QG2 THR 46 lone 4 98 - 3 - HE22 GLN 36 - QG2 THR 46 lone 1 78 - 2 - HD22 ASN 24 - QG2 THR 46 lone 1 81 - 1 - Peak 5570 from cnoeabs.peaks (7.21, 1.13, 20.93 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.81: HD22 ASN 43 + QG2 THR 46 OK 78 99 - 79 - 5542=30, 3.5/5561=28...(8) H LYS 77 + QG2 THR 46 OK 14 99 - 14 - 5545/4.0=5, 1178/2.1=3 HD22 ASN 14 - QG2 THR 46 lone 5 100 - 5 - 5545/4.0=2 Peak 5572 from cnoeabs.peaks (7.41, 3.67, 45.62 ppm; 5.49 A): 3 out of 4 assignments used, quality = 0.85: H THR 46 + HA2 GLY 47 OK 80 98 - 82 - 1096/3.0=44, 5586/3.6=31...(5) QD PHE 34 + HA2 GLY 47 OK 19 92 - 21 - 5573/1.8=7, 5586/3.6=6...(4) H ALA 76 + HA2 GLY 47 OK 10 57 - 17 - 3.6/7145=4, 5573/1.8=4...(5) HE3 TRP 82 - HA2 GLY 47 lone 2 76 - 2 - Peak 5573 from cnoeabs.peaks (7.42, 4.18, 45.62 ppm; 5.32 A): 2 out of 6 assignments used, quality = 0.79: H THR 46 + HA3 GLY 47 OK 74 100 - 74 - 1096/3.0=45, 5586/3.6=32 QD PHE 34 + HA3 GLY 47 OK 20 99 - 20 - 5572/1.8=7, 5586/3.6=6...(4) H ALA 76 - HA3 GLY 47 poor 10 81 - 12 - 5572/1.8=4, 5586/3.6=3 QD PHE 34 - HA3 GLY 60 lone 5 99 - 5 - 5712/5584=1, 4680/1.8=1 H THR 46 - HA3 GLY 60 lone 2 100 - 2 - H ALA 76 - HA3 GLY 60 lone 2 79 - 2 - Peak 5582 from cnoeabs.peaks (0.88, 3.67, 45.62 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.72: QG2 THR 42 + HA2 GLY 47 OK 59 100 - 59 - 5499/1.8=32, 5510/3.0=25...(5) QD1 ILE 51 + HA2 GLY 47 OK 21 100 - 21 - 5581/3.0=5, 5584/1.8=5...(6) QG2 ILE 39 + HA2 GLY 47 OK 13 98 - 13 - 5581/3.0=4, 5610/3.6=3...(4) QG1 VAL 18 - HA2 GLY 47 lone 9 99 - 9 - 5581/3.0=3, 5584/1.8=2 QG2 ILE 37 - HA2 GLY 47 lone 2 63 - 3 - Peak 5583 from cnoeabs.peaks (1.03, 4.18, 45.62 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.85: QG2 THR 55 + HA3 GLY 60 OK 74 100 - 75 - 7195=31, 5937/1.8=26...(5) HG12 ILE 51 + HA3 GLY 60 OK 32 92 - 34 - 5937/1.8=10, 5936/3.0=9...(7) HG12 ILE 51 + HA3 GLY 47 OK 16 93 - 17 - ~5582=6, 2.1/5584=6, ~5581=4 QG2 THR 55 - HA3 GLY 47 lone 7 100 - 7 - 7195=3, 2.1/5860=3 Peak 5584 from cnoeabs.peaks (0.87, 4.18, 45.62 ppm; 3.88 A): 4 out of 16 assignments used, quality = 0.82: QG2 THR 42 + HA3 GLY 47 OK 68 99 - 69 - 5499=38, 5511/3.0=25...(4) QD1 ILE 51 + HA3 GLY 60 OK 21 99 - 21 - 2.1/5583=7, ~5937=5...(6) QD1 ILE 51 + HA3 GLY 47 OK 21 100 - 21 - 5582/1.8=7, 5581/3.0=5...(4) QG2 ILE 39 + HA3 GLY 47 OK 12 87 - 13 - 5582/1.8=4, 5581/3.0=4...(4) QG1 VAL 18 - HA3 GLY 47 lone 8 100 - 8 - 5582/1.8=3, 5581/3.0=3 QG2 THR 42 - HA3 GLY 60 lone 2 98 - 2 - 5499=1 QG2 ILE 37 - HA3 GLY 47 lone 2 85 - 2 - QG2 ILE 80 - HA3 GLY 60 lone 2 72 - 2 - QG2 ILE 39 - HA3 GLY 60 lone 2 86 - 2 - QG2 VAL 30 - HA3 GLY 60 lone 1 79 - 2 - QG2 VAL 30 - HA3 GLY 47 lone 1 81 - 2 - QG1 VAL 30 - HA3 GLY 60 lone 1 64 - 2 - QG1 VAL 30 - HA3 GLY 47 lone 1 65 - 2 - QG2 ILE 80 - HA3 GLY 47 lone 1 73 - 1 - QG2 ILE 37 - HA3 GLY 60 lone 1 84 - 1 - QG1 VAL 18 - HA3 GLY 60 lone 1 100 - 1 - Peak 5587 from cnoeabs.peaks (8.81, 1.81, 29.03 ppm; 5.40 A): 2 out of 3 assignments used, quality = 0.73: H ASN 43 + HB2 GLN 48 OK 69 99 - 70 - 4.0/5611=34, 5585/3.8=32...(7) H ILE 16 + HB2 GLN 48 OK 11 100 - 11 - 5585/3.8=5, 4613/4.6=3 H GLU 28 - HB2 GLN 48 lone 6 93 - 7 - 5585/3.8=3, 2154/5611=1 Peak 5588 from cnoeabs.peaks (4.40, 1.81, 29.03 ppm; 5.04 A): 4 out of 7 assignments used, quality = 0.94: HB THR 46 + HB2 GLN 48 OK 82 98 - 84 - 5559=33, 5558/1.8=28...(12) HA THR 42 + HB2 GLN 48 OK 43 81 - 54 - 3.6/5587=22, ~7189=17...(9) HA PRO 73 + HB2 GLN 48 OK 33 100 - 33 - 5604/3.0=8, 5601/3.0=8...(7) HA PRO 74 + HB2 GLN 48 OK 15 100 - 15 - 5601/3.0=4, 5604/3.0=3...(5) HA ASP 71 - HB2 GLN 48 lone 10 97 - 10 - 5601/3.0=2, 5604/3.0=1...(5) HA SER 29 - HB2 GLN 48 poor 10 89 - 10 - 5601/3.0=2, 5589/1.8=2...(4) HA MET 50 - HB2 GLN 48 lone 5 73 - 7 - 5522/5611=3, 5523/5537=1 Peak 5589 from cnoeabs.peaks (4.39, 2.19, 29.03 ppm; 4.83 A): 6 out of 10 assignments used, quality = 0.93: HB THR 46 + HB3 GLN 48 OK 77 100 - 78 - 5558=29, 5559/1.8=27...(7) HA THR 42 + HB3 GLN 48 OK 36 99 - 37 - ~7189=15, 5590/3.8=9...(5) HA PRO 73 + HB3 GLN 48 OK 31 98 - 31 - 5604/3.0=8, 5601/3.0=7...(7) HA PRO 74 + HB3 GLN 48 OK 15 90 - 16 - 3.6/5600=4, 5601/3.0=3...(5) HA SER 29 + HB3 GLN 48 OK 12 100 - 12 - 3.6/698=3, 5604/3.0=2...(5) HA SER 11 + HB3 GLN 48 OK 11 60 - 18 - 3.0/5599=5, ~5597=4...(5) HA ASP 71 - HB3 GLN 48 lone 6 71 - 9 - 5588/1.8=2, 5601/3.0=2 HA TRP 82 - HB3 GLN 48 lone 3 71 - 4 - HA ALA 98 - HB3 GLN 48 lone 2 90 - 3 - HA LEU 62 - HB3 GLN 48 lone 2 73 - 3 - Peak 5592 from cnoeabs.peaks (5.64, 1.81, 29.03 ppm; 5.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5595 from cnoeabs.peaks (3.85, 4.67, 52.98 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.89: HD2 PRO 49 + HA GLN 48 OK 86 97 - 89 - 3.8=63, 1.8/5633=28...(13) HB2 SER 11 + HA GLN 48 OK 11 99 - 11 - 5594/3.0=2, 5605/3.7=2...(5) HB THR 55 + HA GLN 48 OK 10 78 - 13 - 5594/3.0=2, 5605/3.7=2...(6) HD3 PRO 73 - HA GLN 48 lone 1 57 - 1 - Peak 5596 from cnoeabs.peaks (3.65, 4.67, 52.98 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.87: HD3 PRO 49 + HA GLN 48 OK 81 85 - 96 - 3.8=79, 1.8/5632=37...(13) HA2 GLY 47 + HA GLN 48 OK 32 71 - 45 - ~211=10, 212/3.0=9...(10) HB3 SER 69 - HA GLN 48 lone 4 83 - 4 - 3058/3.0=1 Peak 5597 from cnoeabs.peaks (3.83, 1.81, 29.03 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.97: HD2 PRO 49 + HB2 GLN 48 OK 97 99 - 98 - 4.8=73, 5632/3.0=37...(13) HB THR 55 - HB2 GLN 48 OK 26 100 - 26 - 5599/1.8=7, 2.1/5865=5...(6) HB2 SER 11 - HB2 GLN 48 OK 20 95 - 21 - 5599/1.8=6, 5605/3.0=5...(6) Peak 5598 from cnoeabs.peaks (3.65, 1.81, 29.03 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.93: HD3 PRO 49 + HB2 GLN 48 OK 88 93 - 94 - 4.8=49, 5633/3.0=25...(15) HA2 GLY 47 + HB2 GLN 48 OK 45 83 - 54 - 3.6/805=25, 5600/1.8=10...(8) HB3 SER 69 - HB2 GLN 48 lone 4 71 - 5 - 5596/3.0=1 Peak 5599 from cnoeabs.peaks (3.83, 2.19, 29.03 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.95: HD2 PRO 49 + HB3 GLN 48 OK 95 99 - 96 - 4.8=58, 5632/3.0=34...(15) HB THR 55 - HB3 GLN 48 OK 23 100 - 22 - 5597/1.8=6, 5605/3.0=4...(6) HB2 SER 11 - HB3 GLN 48 OK 18 95 - 19 - 5597/1.8=5, 5605/3.0=4...(6) Peak 5600 from cnoeabs.peaks (3.67, 2.19, 29.03 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.95: HD3 PRO 49 + HB3 GLN 48 OK 91 100 - 91 - 4.8=40, 5633/3.0=24...(17) HA2 GLY 47 + HB3 GLN 48 OK 45 99 - 45 - 3.6/806=17, 5598/1.8=9...(8) HD2 PRO 74 - HB3 GLN 48 OK 17 81 - 21 - 5603/3.0=3, 2.5/5589=3...(11) HA LEU 21 - HB3 GLN 48 lone 7 81 - 8 - 5603/3.0=1, ~5616=1 Peak 5601 from cnoeabs.peaks (4.40, 2.41, 33.12 ppm; 4.12 A): 4 out of 8 assignments used, quality = 0.80: HB THR 46 + HG3 GLN 48 OK 62 100 - 63 - 5604/1.8=18, 5559/3.0=17...(6) HA PRO 73 + HG3 GLN 48 OK 26 100 - 25 - 5604/1.8=8, 2.5/5603=4...(8) HA THR 42 + HG3 GLN 48 OK 18 90 - 20 - 5590/5.0=5, 5604/1.8=5...(4) HA PRO 74 + HG3 GLN 48 OK 12 99 - 12 - 3.6/5603=4, 5604/1.8=3...(5) HA SER 29 - HG3 GLN 48 lone 8 96 - 8 - 5604/1.8=2, 5589/3.0=1 HA ASP 71 - HG3 GLN 48 lone 6 90 - 6 - 5604/1.8=1, 5588/3.0=1 HA MET 50 - HG3 GLN 48 lone 3 60 - 5 - HA ALA 98 - HG3 GLN 48 lone 1 71 - 2 - Peak 5602 from cnoeabs.peaks (3.84, 2.41, 33.12 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.93: HD2 PRO 49 + HG3 GLN 48 OK 93 100 - 93 - 5632/3.7=36, 4.8/808=27...(13) HB THR 55 - HG3 GLN 48 OK 27 95 - 28 - 5605/1.8=7, 5597/3.0=6...(6) HB2 SER 11 - HG3 GLN 48 OK 24 100 - 24 - 5605/1.8=7, 5599/3.0=5...(6) Peak 5603 from cnoeabs.peaks (3.67, 2.41, 33.12 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.96: HD3 PRO 49 + HG3 GLN 48 OK 90 100 - 90 - 5633/3.7=28, 4.8/808=23...(13) HA2 GLY 47 + HG3 GLN 48 OK 62 99 - 63 - 3.6/808=31, 5606/1.8=13...(8) HD2 PRO 74 - HG3 GLN 48 OK 27 81 - 33 - 2.5/5601=7, ~5604=5...(11) HA LEU 21 - HG3 GLN 48 OK 11 81 - 13 - 2.9/5614=3, ~5616=2...(6) Peak 5604 from cnoeabs.peaks (4.39, 2.34, 33.12 ppm; 3.97 A): 4 out of 9 assignments used, quality = 0.80: HB THR 46 + HG2 GLN 48 OK 63 100 - 63 - 5601/1.8=16, 5559/3.0=15...(7) HA PRO 73 + HG2 GLN 48 OK 28 100 - 27 - 3151=7, 5601/1.8=7...(9) HA THR 42 + HG2 GLN 48 OK 17 97 - 18 - 5590/5.0=5, 5601/1.8=5...(4) HA PRO 74 + HG2 GLN 48 OK 11 96 - 11 - 5601/1.8=3, 4.5/3151=3...(5) HA SER 29 - HG2 GLN 48 lone 7 99 - 7 - 5601/1.8=2, 5589/3.0=1 HA ASP 71 - HG2 GLN 48 lone 4 81 - 5 - 5601/1.8=2 HA TRP 82 - HG2 GLN 48 lone 3 60 - 5 - HA ALA 98 - HG2 GLN 48 lone 1 83 - 2 - HA LEU 62 - HG2 GLN 48 lone 1 63 - 1 - Peak 5605 from cnoeabs.peaks (3.84, 2.34, 33.12 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.93: HD2 PRO 49 + HG2 GLN 48 OK 93 100 - 93 - 5632/3.7=35, 4.8/807=27...(13) HB THR 55 - HG2 GLN 48 OK 25 95 - 27 - 5602/1.8=7, 5597/3.0=6...(6) HB2 SER 11 - HG2 GLN 48 OK 23 100 - 23 - 5602/1.8=6, 5599/3.0=5...(5) Peak 5606 from cnoeabs.peaks (3.65, 2.34, 33.12 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.91: HD3 PRO 49 + HG2 GLN 48 OK 81 93 - 87 - 5633/3.7=24, 4.8/807=23...(13) HA2 GLY 47 + HG2 GLN 48 OK 50 83 - 61 - 3.6/807=32, 5598/3.0=11...(8) HB3 SER 69 - HG2 GLN 48 lone 5 71 - 6 - ~6185=1, 5596/3.7=1 Peak 5611 from cnoeabs.peaks (3.27, 1.81, 29.03 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.80: HB2 ASN 43 + HB2 GLN 48 OK 80 100 - 80 - 5608/3.8=38, 5530=27...(9) Peak 5612 from cnoeabs.peaks (0.98, 1.81, 29.03 ppm; 4.57 A): 0 out of 3 assignments used, low quality = 0.18: QG1 VAL 95 - HB2 GLN 48 OK 18 100 - 18 - 2.1/6897=5, 6920/4.6=5...(6) QB ALA 66 - HB2 GLN 48 lone 6 73 - 8 - 6042/3.8=2, ~305=2...(4) QD1 LEU 62 - HB2 GLN 48 lone 2 92 - 2 - Peak 5613 from cnoeabs.peaks (0.94, 2.19, 29.03 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.92: QG2 ILE 27 + HB3 GLN 48 OK 72 97 - 74 - 4946/4.8=20, 4945/4.8=20...(13) QD1 ILE 27 + HB3 GLN 48 OK 68 97 - 70 - 4951/4.8=19, 4952/4.8=17...(14) QD1 ILE 39 + HB3 GLN 48 OK 12 71 - 16 - 5617/3.0=4, 5615/3.0=3...(7) QB ALA 66 - HB3 GLN 48 lone 8 78 - 10 - 2.9/305=2, 6042/3.8=2, ~304=1 Peak 5614 from cnoeabs.peaks (1.12, 2.41, 33.12 ppm; 5.05 A): 4 out of 4 assignments used, quality = 0.87: QG2 THR 46 + HG3 GLN 48 OK 79 100 - 80 - 2.1/5601=21, 5616/1.8=21...(12) QG2 VAL 95 + HG3 GLN 48 OK 18 65 - 28 - ~5612=17, ~6920=4...(5) HB3 LEU 21 + HG3 GLN 48 OK 13 57 - 22 - 5616/1.8=5, ~5616=3...(11) HG LEU 21 + HG3 GLN 48 OK 11 76 - 14 - ~5616=3, ~4806=3...(7) Peak 5615 from cnoeabs.peaks (0.93, 2.41, 33.12 ppm; 5.63 A): 3 out of 3 assignments used, quality = 0.91: QG2 ILE 27 + HG3 GLN 48 OK 74 100 - 74 - 5617/1.8=24, 5613/3.0=18...(12) QD1 ILE 27 + HG3 GLN 48 OK 56 83 - 67 - 5613/3.0=17, 5617/1.8=17...(10) QD1 ILE 39 + HG3 GLN 48 OK 21 92 - 22 - 5617/1.8=6, 5613/3.0=3...(8) Peak 5616 from cnoeabs.peaks (1.13, 2.34, 33.12 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.86: QG2 THR 46 + HG2 GLN 48 OK 71 99 - 72 - 5614/1.8=22, 2.1/5604=21...(9) HG13 ILE 27 + HG2 GLN 48 OK 36 68 - 54 - 3.2/5617=15, 2.1/5617=12...(9) HB3 LEU 21 + HG2 GLN 48 OK 15 83 - 18 - 5614/1.8=4, 5609/5.0=2...(7) HB2 LEU 21 + HG2 GLN 48 OK 12 78 - 15 - ~5614=3, ~4806=2...(6) QG2 THR 15 - HG2 GLN 48 lone 4 78 - 5 - 5609/5.0=3 Peak 5617 from cnoeabs.peaks (0.93, 2.34, 33.12 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.85: QG2 ILE 27 + HG2 GLN 48 OK 66 100 - 66 - 5615/1.8=16, 5613/3.0=15...(11) QD1 ILE 27 + HG2 GLN 48 OK 47 83 - 57 - 5613/3.0=15, 5615/1.8=12...(9) QD1 ILE 39 + HG2 GLN 48 OK 17 92 - 17 - 5615/1.8=5, 5613/3.0=3...(7) Peak 5620 from cnoeabs.peaks (0.87, 4.59, 62.40 ppm; 3.98 A): 2 out of 9 assignments used, quality = 0.98: QG2 THR 42 + HA PRO 49 OK 86 99 - 88 - 5502=37, 2.1/5501=25...(9) QD1 ILE 51 + HA PRO 49 OK 82 100 - 83 - 5744/2.3=29, 5740/2.3=15...(19) QG2 ILE 80 - HA PRO 49 OK 21 76 - 28 - 6517/3.8=5, ~6502=4...(11) QG2 VAL 30 - HA PRO 49 OK 19 83 - 23 - 5045/3.8=4, ~5636=4...(8) QG1 VAL 30 - HA PRO 49 OK 13 68 - 20 - ~5636=4, ~5622=3...(8) QD2 LEU 62 - HA PRO 49 poor 7 60 - 11 - ~5621=4, 5636/2.3=1 QG2 ILE 39 - HA PRO 49 lone 5 85 - 5 - 187/5521=1, 5356/5686=1 QG2 ILE 37 - HA PRO 49 lone 4 87 - 4 - QG1 VAL 18 - HA PRO 49 lone 2 100 - 2 - Peak 5621 from cnoeabs.peaks (0.99, 2.22, 32.31 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.65: HG12 ILE 51 + HB2 PRO 49 OK 56 63 - 90 - ~5744=28, ~5743=18...(22) QD1 LEU 62 + HB2 PRO 49 OK 21 97 - 21 - 2.1/5622=4, ~5636=3...(9) QG1 VAL 95 - HB2 PRO 49 lone 9 98 - 9 - 5638/1.8=2, 6503/7191=1 QB ALA 66 - HB2 PRO 49 poor 7 60 - 12 - 5638/1.8=3 Peak 5622 from cnoeabs.peaks (0.83, 2.22, 32.31 ppm; 3.44 A): 6 out of 8 assignments used, quality = 0.94: QG2 ILE 40 + HB2 PRO 49 OK 73 93 - 78 - 5438=30, 5435/1.8=23...(13) QG2 ILE 80 + HB2 PRO 49 OK 37 93 - 40 - 6517/2.3=7, 5636/1.8=7...(17) QG1 VAL 30 + HB2 PRO 49 OK 35 97 - 37 - 5636/1.8=6, 5643/2.3=4...(16) QG2 VAL 30 + HB2 PRO 49 OK 31 89 - 35 - 5636/1.8=5, 5045/2.3=4...(12) QD2 LEU 62 + HB2 PRO 49 OK 15 99 - 15 - 2.1/5621=4, 5636/1.8=2...(6) QG2 ILE 16 + HB2 PRO 49 OK 11 100 - 11 - 5636/1.8=2, 5657/3.8=2...(5) QG2 VAL 25 - HB2 PRO 49 lone 6 96 - 6 - QG2 ILE 37 - HB2 PRO 49 lone 5 85 - 6 - 5636/1.8=1, 5657/3.8=1 Peak 5623 from cnoeabs.peaks (0.75, 2.22, 32.31 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.94: QD1 ILE 40 + HB2 PRO 49 OK 84 100 - 84 - 3.3/5438=27, 5644/2.3=23...(18) QG2 ILE 51 + HB2 PRO 49 OK 54 63 - 86 - ~5744=18, 3.2/5621=16...(24) QD1 LEU 53 + HB2 PRO 49 OK 19 76 - 24 - 5644/2.3=7, ~5805=4...(8) QG2 ILE 93 - HB2 PRO 49 poor 8 71 - 11 - 5637/1.8=3, 6835/3.0=1...(4) Peak 5624 from cnoeabs.peaks (7.66, 3.84, 50.24 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: H GLN 48 + HD2 PRO 49 OK 100 100 - 100 - 4.8=100 Peak 5625 from cnoeabs.peaks (7.67, 3.67, 50.24 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.87: H GLN 48 + HD3 PRO 49 OK 87 87 - 100 - 4.8=100 Peak 5626 from cnoeabs.peaks (7.73, 1.94, 27.25 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.80: H ILE 51 + HG3 PRO 49 OK 80 97 - 83 - 5629/2.3=44, 5628/1.8=36...(10) Peak 5627 from cnoeabs.peaks (7.73, 1.93, 27.25 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.79: H ILE 51 + HG3 PRO 49 OK 79 94 - 83 - 5629/2.3=44, 5628/1.8=36...(10) Peak 5628 from cnoeabs.peaks (7.71, 2.00, 27.25 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.81: H ILE 51 + HG2 PRO 49 OK 81 100 - 81 - 5629/2.3=40, 5626/1.8=32...(10) H ILE 51 - HG2 PRO 92 lone 2 47 - 3 - Peak 5629 from cnoeabs.peaks (7.72, 1.56, 32.31 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.84: H ILE 51 + HB3 PRO 49 OK 84 99 - 85 - 1098/3.8=32, 5628/2.3=29...(10) Peak 5630 from cnoeabs.peaks (7.17, 1.56, 32.31 ppm; 5.30 A): 3 out of 6 assignments used, quality = 0.51: QD TYR 54 + HB3 PRO 49 OK 36 100 - 37 - 4695/3.8=12, 4866=7...(10) QE PHE 97 + HB3 PRO 49 OK 14 99 - 14 - 6976/2.3=2, 4767=2...(6) HZ PHE 97 + HB3 PRO 49 OK 10 76 - 14 - 2.2/4767=2, 6976/2.3=2...(7) H LYS 77 - HB3 PRO 49 poor 8 73 - 10 - 3.0/3254=2, 4.6/353=1 H GLU 65 - HB3 PRO 49 lone 5 60 - 8 - 3.7/7114=1 HD22 ASN 43 - HB3 PRO 49 lone 2 73 - 3 - 5541/2.3=1 Peak 5631 from cnoeabs.peaks (4.39, 4.59, 62.40 ppm; 3.55 A): 1 out of 9 assignments used, quality = 0.66: HA THR 42 + HA PRO 49 OK 66 97 - 69 - 7143=22, 3.2/5502=21...(11) HA SER 29 - HA PRO 49 lone 9 99 - 9 - 7143=3, 7052/3.6=2 HB THR 46 - HA PRO 49 lone 7 100 - 7 - 5557/5686=2, 185/5521=2...(4) HA PRO 73 - HA PRO 49 lone 5 100 - 5 - 7052/3.6=3 HA PRO 74 - HA PRO 49 lone 5 96 - 5 - 7052/3.6=2, 6332/2.3=2 HA ASP 71 - HA PRO 49 lone 2 81 - 3 - 5421/5415=2 HA ALA 98 - HA PRO 49 lone 2 83 - 2 - HA LEU 62 - HA PRO 49 lone 2 63 - 3 - 7052/3.6=1 HA TRP 82 - HA PRO 49 lone 1 60 - 1 - Peak 5632 from cnoeabs.peaks (4.67, 3.84, 50.24 ppm; 2.94 A): 1 out of 7 assignments used, quality = 0.81: HA GLN 48 + HD2 PRO 49 OK 81 100 - 82 - 3.8=47, 5633/1.8=24...(13) HA SER 96 - HD2 PRO 49 lone 6 73 - 8 - ~7089=2, ~7090=2, 5633/1.8=2 HB THR 26 - HD2 PRO 49 lone 2 97 - 2 - HA PHE 83 - HD2 PRO 49 lone 2 95 - 2 - HA PRO 92 - HD2 PRO 49 lone 1 89 - 1 - HA LEU 53 - HD2 PRO 49 lone 1 63 - 2 - HA GLU 87 - HD2 PRO 49 lone 1 63 - 1 - Peak 5633 from cnoeabs.peaks (4.67, 3.67, 50.24 ppm; 3.10 A): 1 out of 14 assignments used, quality = 0.87: HA GLN 48 + HD3 PRO 49 OK 87 100 - 88 - 3.8=56, 5632/1.8=31...(14) HA SER 96 - HD3 PRO 49 poor 8 73 - 11 - ~7089=3, ~7090=3...(4) HA GLN 48 - HD2 PRO 74 poor 7 69 - 11 - 3.0/5600=2, 3.7/5603=2...(5) HB THR 26 - HD3 PRO 49 lone 3 97 - 3 - HA PHE 83 - HD3 PRO 49 lone 2 95 - 2 - HA LEU 53 - HD3 PRO 49 lone 1 63 - 2 - HA PRO 92 - HD3 PRO 49 lone 1 89 - 1 - HA PHE 83 - HD2 PRO 74 lone 1 61 - 1 - HA GLU 87 - HD3 PRO 49 lone 1 63 - 1 - HA SER 96 - HD2 PRO 74 lone 0 44 - 1 - HA PRO 92 - HD2 PRO 74 lone 0 56 - 1 - HB THR 26 - HD2 PRO 74 lone 0 64 - 0 - HA LEU 53 - HD2 PRO 74 lone 0 37 - 0 - HA GLU 87 - HD2 PRO 74 lone 0 37 - 0 - Peak 5634 from cnoeabs.peaks (4.66, 1.94, 27.25 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.84: HA GLN 48 + HG3 PRO 49 OK 84 100 - 85 - 5632/2.3=40, 5633/2.3=35...(9) HA PHE 83 - HG3 PRO 49 lone 4 100 - 4 - HB THR 26 - HG3 PRO 49 lone 3 83 - 4 - 5632/2.3=1, 5633/2.3=1 HA PRO 92 - HG3 PRO 49 lone 2 99 - 2 - Peak 5635 from cnoeabs.peaks (4.67, 2.00, 27.25 ppm; 3.96 A): 0 out of 1 assignment used, low quality = 0.41: HA PRO 92 - HG2 PRO 92 OK 41 41 - 100 - 3.8=100 Peak 5636 from cnoeabs.peaks (0.84, 1.56, 32.31 ppm; 3.56 A): 6 out of 8 assignments used, quality = 0.92: QG2 ILE 40 + HB3 PRO 49 OK 56 76 - 74 - 5435=24, 5438/1.8=18...(13) QG2 ILE 80 + HB3 PRO 49 OK 45 100 - 45 - 6517/2.3=8, 5622/1.8=6...(18) QG1 VAL 30 + HB3 PRO 49 OK 36 100 - 36 - 5622/1.8=6, 5643/2.3=5...(13) QG2 VAL 30 + HB3 PRO 49 OK 35 99 - 35 - 5045/2.3=5, 5622/1.8=5...(12) QD2 LEU 62 + HB3 PRO 49 OK 16 100 - 15 - ~5621=3, 5622/1.8=3...(7) QG2 ILE 16 + HB3 PRO 49 OK 12 98 - 13 - 5622/1.8=2, 3.1/4603=2...(5) QG2 ILE 37 - HB3 PRO 49 lone 7 97 - 7 - 5657/3.8=1 QG2 VAL 25 - HB3 PRO 49 lone 5 81 - 6 - 5622/1.8=1 Peak 5637 from cnoeabs.peaks (0.74, 1.56, 32.31 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.95: QD1 ILE 40 + HB3 PRO 49 OK 84 99 - 85 - 3.3/5435=27, 5644/2.3=23...(16) QG2 ILE 51 + HB3 PRO 49 OK 70 76 - 92 - 3.2/5744=28, 4.0/5629=26...(26) QD1 LEU 53 - HB3 PRO 49 OK 15 63 - 24 - 5644/2.3=7, 5623/1.8=5...(5) QG2 ILE 93 - HB3 PRO 49 OK 12 83 - 15 - 5623/1.8=2, 6835/3.0=2...(7) Peak 5638 from cnoeabs.peaks (0.96, 1.56, 32.31 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.85: QD1 ILE 27 + HB3 PRO 49 OK 81 89 - 91 - 2.8/4965=28, 4951/3.0=24...(19) QB ALA 66 + HB3 PRO 49 OK 14 100 - 14 - 4706/5630=3, 6027/5637=1 QG1 VAL 95 + HB3 PRO 49 OK 10 92 - 11 - 5621/1.8=2, 6501/6502=1 Peak 5639 from cnoeabs.peaks (1.45, 1.56, 32.31 ppm; 3.69 A): 4 out of 10 assignments used, quality = 0.99: HB ILE 51 + HB3 PRO 49 OK 84 99 - 85 - 3.2/5744=20, 3.8/5629=17...(32) HG13 ILE 51 + HB3 PRO 49 OK 75 87 - 86 - 2.1/5744=27, 1.8/5762=12...(30) QB ALA 31 + HB3 PRO 49 OK 69 96 - 73 - 5093=19, 5095/2.3=19...(18) HG12 ILE 80 + HB3 PRO 49 OK 46 100 - 47 - 3.2/5636=6, 2.9/6502=5...(18) QG2 THR 67 - HB3 PRO 49 OK 14 100 - 14 - 6069/5630=2, 6101/5638=1...(6) HG3 LYS 63 - HB3 PRO 49 OK 14 87 - 16 - 7191/1.8=1, 5645/2.3=1 HG2 LYS 63 - HB3 PRO 49 OK 14 87 - 16 - 7191/1.8=1, 5645/2.3=1 HB2 LYS 41 - HB3 PRO 49 OK 13 87 - 15 - 5656/3.8=3, 7190/2.3=2...(6) HG3 LYS 94 - HB3 PRO 49 lone 8 97 - 8 - HG2 LYS 44 - HB3 PRO 49 lone 8 81 - 10 - 5640/2.3=1 Peak 5640 from cnoeabs.peaks (1.46, 2.00, 27.25 ppm; 3.59 A): 3 out of 20 assignments used, quality = 0.97: HB ILE 51 + HG2 PRO 49 OK 77 100 - 77 - 3.8/5628=13, 3.2/5742=10...(28) QB ALA 31 + HG2 PRO 49 OK 75 100 - 75 - 5093/2.3=24, 5095/1.8=21...(16) HG13 ILE 51 + HG2 PRO 49 OK 51 65 - 78 - ~5744=13, 2.1/5742=13...(27) HG12 ILE 80 - HG2 PRO 49 OK 41 99 - 41 - 5645/1.8=5, ~6517=4...(16) HB2 LYS 41 - HG2 PRO 49 OK 12 98 - 12 - 7190/3.8=1, 7191/2.3=1 HG2 LYS 44 - HG2 PRO 49 OK 11 96 - 11 - 3.7/7090=4 QG2 THR 67 - HG2 PRO 49 lone 10 99 - 10 - 5639/2.3=1, 7191/2.3=1 HG3 LYS 63 - HG2 PRO 49 poor 10 65 - 14 - 5645/1.8=1, 5639/2.3=1...(5) HG2 LYS 63 - HG2 PRO 49 poor 10 65 - 14 - 5645/1.8=1, 5639/2.3=1...(5) HG3 LYS 94 - HG2 PRO 49 lone 6 85 - 6 - HB ILE 51 - HG2 PRO 92 lone 3 47 - 6 - HG12 ILE 80 - HG2 PRO 92 lone 2 45 - 5 - 6520/2.3=1, ~6528=1 QB ALA 31 - HG2 PRO 92 lone 2 47 - 4 - HB2 LYS 41 - HG2 PRO 92 lone 1 44 - 3 - HG13 ILE 51 - HG2 PRO 92 lone 1 25 - 4 - HG2 LYS 44 - HG2 PRO 92 lone 0 42 - 1 - QG2 THR 67 - HG2 PRO 92 lone 0 45 - 1 - HG3 LYS 94 - HG2 PRO 92 lone 0 34 - 1 - HG3 LYS 63 - HG2 PRO 92 lone 0 25 - 1 - HG2 LYS 63 - HG2 PRO 92 lone 0 25 - 1 - Peak 5642 from cnoeabs.peaks (0.91, 2.00, 27.25 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.70: QG2 ILE 27 + HG2 PRO 49 OK 70 85 - 83 - 4945/2.3=20, 4946/2.3=19...(21) QD1 ILE 39 - HG2 PRO 49 lone 9 100 - 9 - 5646/1.8=2, 5651/2.3=2...(4) QG2 ILE 39 - HG2 PRO 49 lone 6 76 - 7 - 7162/5644=1, ~5646=1, ~5651=1 QD1 ILE 39 - HG2 PRO 92 lone 2 46 - 5 - ~5366=1, ~5370=1, ~5365=1 QG2 ILE 39 - HG2 PRO 92 lone 2 30 - 7 - 5366/2.3=1, ~5365=1 QG2 ILE 27 - HG2 PRO 92 lone 1 34 - 3 - Peak 5643 from cnoeabs.peaks (0.83, 2.00, 27.25 ppm; 3.96 A): 4 out of 16 assignments used, quality = 0.95: QG2 ILE 40 + HG2 PRO 49 OK 65 85 - 77 - 5435/2.3=22, 5438/2.3=22...(14) QG2 ILE 80 + HG2 PRO 49 OK 50 98 - 51 - 6517/1.8=11, 5636/2.3=8...(16) QG1 VAL 30 + HG2 PRO 49 OK 47 99 - 47 - 2.1/5045=7, 5622/2.3=6...(13) QG2 VAL 30 + HG2 PRO 49 OK 46 96 - 49 - 5045=9, 5636/2.3=6...(14) QD2 LEU 62 - HG2 PRO 49 OK 21 100 - 21 - ~5621=4, 5636/2.3=3...(9) QG2 ILE 16 - HG2 PRO 49 OK 15 100 - 15 - 5636/2.3=2, 5622/2.3=2...(5) QG2 VAL 25 - HG2 PRO 49 poor 9 89 - 10 - 5622/2.3=1, 4.3/80=1 QG2 ILE 37 - HG2 PRO 49 lone 8 93 - 8 - 5636/2.3=1, 5647/1.8=1 QG2 ILE 40 - HG2 PRO 92 lone 3 34 - 10 - ~2040=2, 3.3/5644=2...(5) QG2 ILE 80 - HG2 PRO 92 lone 2 44 - 5 - ~4471=1 QG2 VAL 30 - HG2 PRO 92 lone 1 42 - 2 - QD2 LEU 62 - HG2 PRO 92 lone 1 47 - 2 - QG1 VAL 30 - HG2 PRO 92 lone 1 46 - 2 - QG2 ILE 37 - HG2 PRO 92 lone 1 40 - 2 - QG2 ILE 16 - HG2 PRO 92 lone 1 46 - 1 - QG2 VAL 25 - HG2 PRO 92 lone 0 37 - 1 - Peak 5644 from cnoeabs.peaks (0.75, 2.00, 27.25 ppm; 4.69 A): 2 out of 4 assignments used, quality = 0.82: QD1 ILE 40 + HG2 PRO 49 OK 77 100 - 77 - 5623/2.3=19, ~5438=16...(16) QD1 LEU 53 + HG2 PRO 49 OK 22 87 - 26 - 2.1/5805=6, 5808=5...(6) QD1 ILE 40 - HG2 PRO 92 poor 8 47 - 16 - 2040/2.3=5, 5445/1.8=4...(5) QD1 LEU 53 - HG2 PRO 92 poor 4 36 - 11 - 5809/2.3=2, 5809/1.8=2...(6) Peak 5645 from cnoeabs.peaks (1.45, 1.94, 27.25 ppm; 3.69 A): 3 out of 10 assignments used, quality = 0.98: HB ILE 51 + HG3 PRO 49 OK 77 99 - 78 - 3.8/5626=13, ~5744=10...(28) QB ALA 31 + HG3 PRO 49 OK 71 96 - 75 - 5095=28, 5093/2.3=24...(15) HG13 ILE 51 + HG3 PRO 49 OK 68 87 - 79 - ~5744=14, 2.1/5743=11...(27) HG12 ILE 80 - HG3 PRO 49 OK 44 100 - 45 - 3.2/6517=7, 5640/1.8=5...(16) HG3 LYS 63 - HG3 PRO 49 OK 13 87 - 14 - 5639/2.3=1, 7191/2.3=1...(5) HG2 LYS 63 - HG3 PRO 49 OK 13 87 - 14 - 5639/2.3=1, 7191/2.3=1...(5) QG2 THR 67 - HG3 PRO 49 lone 9 100 - 9 - 5639/2.3=1, 5640/1.8=1 HG2 LYS 44 - HG3 PRO 49 poor 9 81 - 11 - 3.7/7089=3, 5640/1.8=1 HB2 LYS 41 - HG3 PRO 49 poor 9 87 - 11 - 7190/3.8=1, 5640/1.8=1...(4) HG3 LYS 94 - HG3 PRO 49 lone 7 97 - 7 - Peak 5646 from cnoeabs.peaks (0.93, 1.94, 27.25 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.93: QG2 ILE 27 + HG3 PRO 49 OK 83 100 - 84 - 4945/2.3=22, 4946/2.3=20...(19) QD1 ILE 27 + HG3 PRO 49 OK 58 83 - 70 - 4951/2.3=14, ~5642=12...(16) QD1 ILE 39 - HG3 PRO 49 poor 9 92 - 10 - 5642/1.8=2, 5651/2.3=2...(4) Peak 5647 from cnoeabs.peaks (0.84, 1.94, 27.25 ppm; 3.95 A): 5 out of 10 assignments used, quality = 0.96: QG2 ILE 80 + HG3 PRO 49 OK 57 100 - 57 - 6517=14, 5636/2.3=8...(18) QD1 ILE 51 + HG3 PRO 49 OK 51 63 - 81 - 5744/2.3=16, 4.9/5626=13...(25) QG1 VAL 30 + HG3 PRO 49 OK 41 100 - 42 - 5636/2.3=6, 5643/1.8=6...(12) QG2 ILE 40 + HG3 PRO 49 OK 41 63 - 66 - 5435/2.3=15, 5438/2.3=15...(12) QG2 VAL 30 + HG3 PRO 49 OK 40 100 - 40 - 5045/1.8=8, 5636/2.3=6...(12) QD2 LEU 62 - HG3 PRO 49 OK 17 99 - 17 - ~5621=4, 5636/2.3=3...(6) QG2 ILE 16 - HG3 PRO 49 OK 13 93 - 14 - 5636/2.3=2, 5643/1.8=2...(5) QG2 ILE 37 - HG3 PRO 49 lone 8 100 - 7 - 5636/2.3=1, 5643/1.8=1 QG2 VAL 25 - HG3 PRO 49 lone 4 68 - 6 - 5643/1.8=1 QG1 VAL 18 - HG3 PRO 49 lone 2 68 - 2 - Peak 5649 from cnoeabs.peaks (1.46, 3.84, 50.24 ppm; 4.94 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 51 + HD2 PRO 49 OK 91 100 - 91 - ~5744=15, ~5743=14...(28) QB ALA 31 + HD2 PRO 49 OK 84 99 - 85 - 5093/3.0=32, 5095/2.3=29...(15) HG13 ILE 51 + HD2 PRO 49 OK 69 76 - 91 - ~5744=21, ~5743=18...(26) HG12 ILE 80 + HD2 PRO 49 OK 60 100 - 60 - ~6517=8, 5645/2.3=6...(18) QG2 THR 67 - HD2 PRO 49 OK 17 100 - 17 - 6065/4.8=3, 6101/4952=3...(10) HG3 LYS 63 - HD2 PRO 49 OK 17 76 - 22 - 5645/2.3=2, 5639/3.0=2...(14) HG2 LYS 63 - HD2 PRO 49 OK 17 76 - 22 - 5645/2.3=2, 5639/3.0=2...(14) HB2 LYS 41 - HD2 PRO 49 OK 17 95 - 18 - 5492/5497=4, 7190/3.6=3...(8) HG2 LYS 44 - HD2 PRO 49 OK 13 90 - 14 - 5492/5497=2, 5640/2.3=2...(6) HG3 LYS 94 - HD2 PRO 49 lone 10 92 - 10 - 7191/3.0=1, 5645/2.3=1...(4) Peak 5650 from cnoeabs.peaks (1.46, 3.84, 50.24 ppm; 4.94 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 51 + HD2 PRO 49 OK 91 100 - 91 - ~5744=15, ~5743=14...(28) QB ALA 31 + HD2 PRO 49 OK 84 99 - 85 - 5093/3.0=32, 5095/2.3=29...(15) HG13 ILE 51 + HD2 PRO 49 OK 69 76 - 91 - ~5744=21, ~5743=18...(26) HG12 ILE 80 + HD2 PRO 49 OK 60 100 - 60 - ~6517=8, 5645/2.3=6...(18) QG2 THR 67 - HD2 PRO 49 OK 17 100 - 17 - 6065/4.8=3, 6101/4952=3...(10) HG3 LYS 63 - HD2 PRO 49 OK 17 76 - 22 - 5645/2.3=2, 5639/3.0=2...(14) HG2 LYS 63 - HD2 PRO 49 OK 17 76 - 22 - 5645/2.3=2, 5639/3.0=2...(14) HB2 LYS 41 - HD2 PRO 49 OK 17 94 - 18 - 5492/5497=4, 7190/3.6=3...(8) HG2 LYS 44 - HD2 PRO 49 OK 13 90 - 14 - 5492/5497=2, 5640/2.3=2...(6) HG3 LYS 94 - HD2 PRO 49 lone 10 92 - 10 - 7191/3.0=1, 5645/2.3=1...(4) Peak 5651 from cnoeabs.peaks (0.93, 3.84, 50.24 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.98: QG2 ILE 27 + HD2 PRO 49 OK 93 100 - 93 - 4946=36, 4945/1.8=32...(19) QD1 ILE 27 + HD2 PRO 49 OK 72 83 - 87 - 2.8/4946=25, 4951/1.8=21...(17) QD1 ILE 39 - HD2 PRO 49 OK 13 92 - 14 - 5642/2.3=3, 5654/1.8=3...(7) Peak 5652 from cnoeabs.peaks (0.85, 3.84, 50.24 ppm; 4.74 A): 5 out of 9 assignments used, quality = 0.98: QD1 ILE 51 + HD2 PRO 49 OK 65 76 - 86 - 5744/3.0=22, 5743/2.3=18...(22) QG2 ILE 80 + HD2 PRO 49 OK 56 100 - 57 - 6517/2.3=14, 5636/3.0=8...(16) QG1 VAL 30 + HD2 PRO 49 OK 47 99 - 48 - 5636/3.0=7, 5647/2.3=7...(12) QG2 VAL 30 + HD2 PRO 49 OK 46 100 - 46 - 5045/2.3=9, 5636/3.0=6...(11) QG2 THR 42 + HD2 PRO 49 OK 44 68 - 65 - 5497=26, 5502/3.6=19...(6) QD2 LEU 62 - HD2 PRO 49 OK 19 97 - 19 - ~5621=5, 5636/3.0=3...(6) QG2 ILE 16 - HD2 PRO 49 OK 12 85 - 14 - 5636/3.0=2, 5647/2.3=2...(6) QG2 ILE 37 - HD2 PRO 49 lone 8 100 - 7 - 5636/3.0=1, 5647/2.3=1...(4) QG1 VAL 18 - HD2 PRO 49 lone 3 81 - 4 - 5610/4.8=1 Peak 5653 from cnoeabs.peaks (1.45, 3.67, 50.24 ppm; 5.03 A): 4 out of 20 assignments used, quality = 1.00: HB ILE 51 + HD3 PRO 49 OK 91 99 - 92 - ~5744=16, ~5743=15...(29) QB ALA 31 + HD3 PRO 49 OK 81 96 - 85 - 5093/3.0=31, 5095/2.3=28...(15) HG13 ILE 51 + HD3 PRO 49 OK 80 87 - 93 - ~5744=22, ~5743=19...(29) HG12 ILE 80 + HD3 PRO 49 OK 62 100 - 62 - ~6517=8, 3.2/5655=7...(17) HG3 LYS 63 - HD3 PRO 49 OK 22 87 - 24 - 5645/2.3=2, 5639/3.0=2...(15) HG2 LYS 63 - HD3 PRO 49 OK 22 87 - 24 - 5645/2.3=2, 5639/3.0=2...(15) QG2 THR 67 - HD3 PRO 49 OK 19 100 - 19 - 6065/4.8=3, 6101/4951=3...(9) HB2 LYS 41 - HD3 PRO 49 OK 17 87 - 20 - 7190/3.6=3, 7191/3.0=2...(9) HG2 LYS 44 - HD3 PRO 49 OK 14 81 - 17 - 3.7/7144=5, 5640/2.3=2...(7) HB2 LYS 41 - HD2 PRO 74 OK 12 54 - 21 - 5475/3.6=3, 5475/2.5=2...(10) HG3 LYS 94 - HD3 PRO 49 OK 11 97 - 10 - 7191/3.0=1, 5645/2.3=1...(5) QB ALA 31 - HD2 PRO 74 poor 8 63 - 12 - ~1152=3, ~1145=1...(5) QG2 THR 67 - HD2 PRO 74 poor 7 70 - 11 - 6089/6294=2, 6088/6289=2 HG2 LYS 63 - HD2 PRO 74 lone 5 54 - 9 - ~6305=2, ~7101=2, ~7208=2 HG3 LYS 63 - HD2 PRO 74 lone 5 54 - 9 - ~6305=2, ~7101=2, ~7208=2 HB ILE 51 - HD2 PRO 74 lone 5 68 - 7 - HG12 ILE 80 - HD2 PRO 74 lone 4 70 - 5 - ~6525=1 HG13 ILE 51 - HD2 PRO 74 lone 3 54 - 5 - HG3 LYS 94 - HD2 PRO 74 lone 3 65 - 4 - HG2 LYS 44 - HD2 PRO 74 lone 1 49 - 3 - Peak 5654 from cnoeabs.peaks (0.93, 3.67, 50.24 ppm; 3.85 A): 2 out of 6 assignments used, quality = 0.98: QG2 ILE 27 + HD3 PRO 49 OK 93 100 - 93 - 4945=40, 4946/1.8=28...(20) QD1 ILE 27 + HD3 PRO 49 OK 70 83 - 85 - 2.8/4945=25, 4951=21...(17) QD1 ILE 39 - HD3 PRO 49 OK 13 92 - 14 - 5651/1.8=3, 5642/2.3=3...(6) QD1 ILE 39 - HD2 PRO 74 OK 10 59 - 18 - 5359/3.0=4, 1999/3.0=3...(7) QG2 ILE 27 - HD2 PRO 74 lone 6 70 - 9 - 4945=3, 4969/2.3=1, ~4985=1 QD1 ILE 27 - HD2 PRO 74 lone 4 51 - 7 - 2.8/4945=2, 4985/3.0=1 Peak 5655 from cnoeabs.peaks (0.84, 3.67, 50.24 ppm; 4.96 A): 4 out of 16 assignments used, quality = 0.97: QG2 ILE 80 + HD3 PRO 49 OK 63 100 - 63 - 6517/2.3=14, 5636/3.0=9...(18) QG2 ILE 40 + HD3 PRO 49 OK 62 76 - 82 - 5415/3.6=24, 5438/3.0=22...(13) QG1 VAL 30 + HD3 PRO 49 OK 53 100 - 53 - 5643/2.3=8, 5636/3.0=8...(12) QG2 VAL 30 + HD3 PRO 49 OK 50 99 - 51 - 5045/2.3=10, 5636/3.0=7...(12) QD2 LEU 62 - HD3 PRO 49 OK 23 100 - 22 - ~5621=5, 5643/2.3=4...(6) QG2 ILE 16 - HD3 PRO 49 OK 17 98 - 17 - 5636/3.0=3, 5643/2.3=2...(6) QG2 ILE 37 - HD3 PRO 49 OK 10 97 - 10 - 5636/3.0=1, 5643/2.3=1...(5) QG2 VAL 25 - HD3 PRO 49 lone 8 81 - 9 - 5643/2.3=2, 5622/3.0=1 QG2 ILE 80 - HD2 PRO 74 lone 5 69 - 7 - ~4491=2 QG2 VAL 30 - HD2 PRO 74 lone 4 67 - 6 - QG1 VAL 30 - HD2 PRO 74 lone 4 70 - 5 - QG2 ILE 40 - HD2 PRO 74 lone 3 46 - 7 - 5385/220=2, 5421/2.5=1 QG2 ILE 37 - HD2 PRO 74 lone 3 65 - 4 - 6363/340=2 QG2 VAL 25 - HD2 PRO 74 lone 2 49 - 5 - QG2 ILE 16 - HD2 PRO 74 lone 2 66 - 3 - QD2 LEU 62 - HD2 PRO 74 lone 2 70 - 2 - Peak 5659 from cnoeabs.peaks (0.92, 4.43, 55.09 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.80: QG2 ILE 27 + HA MET 50 OK 65 98 - 67 - 4933/3.6=31, 5658/3.0=27...(7) QD1 ILE 27 + HA MET 50 OK 28 60 - 46 - 4936/3.6=17, ~5658=15...(6) QD1 ILE 39 + HA MET 50 OK 21 99 - 21 - 5658/3.0=7, 5359/3.8=5...(5) Peak 5660 from cnoeabs.peaks (0.84, 4.43, 55.09 ppm; 4.60 A): 7 out of 10 assignments used, quality = 0.88: QD1 ILE 51 + HA MET 50 OK 39 63 - 62 - 4.9/4204=30, 3.2/5713=17...(9) QG2 VAL 30 + HA MET 50 OK 34 100 - 34 - 5657/3.0=6, ~5677=5...(11) QG1 VAL 30 + HA MET 50 OK 31 100 - 31 - 5657/3.0=6, ~5677=5...(8) QG2 ILE 40 + HA MET 50 OK 29 63 - 47 - 5385/3.0=19, 5663/3.0=7...(11) QG2 ILE 37 + HA MET 50 OK 20 100 - 20 - 5670/3.8=3, ~5662=3...(8) QG2 ILE 16 + HA MET 50 OK 16 93 - 17 - 5657/3.0=3, 5663/3.0=3...(5) QG2 ILE 80 + HA MET 50 OK 13 100 - 13 - 5657/3.0=5, 5670/3.8=2...(5) QD2 LEU 62 - HA MET 50 lone 8 99 - 8 - 5657/3.0=3, 5670/3.8=2 QG2 VAL 25 - HA MET 50 lone 5 68 - 8 - 5657/3.0=1, 5663/3.0=1, ~5666=1 QG1 VAL 18 - HA MET 50 lone 2 68 - 3 - 824/3.6=1 Peak 5661 from cnoeabs.peaks (1.47, 1.65, 30.35 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.94: HB2 LYS 41 + HB2 MET 50 OK 84 100 - 85 - 1.8/5662=20, 4.0/5696=17...(29) HB ILE 51 + HB2 MET 50 OK 45 89 - 50 - 3.8/4205=20, 5713/3.0=10...(13) QB ALA 31 + HB2 MET 50 OK 29 97 - 30 - 5.0/5677=5, 5664/1.8=4...(11) QG2 THR 67 - HB2 MET 50 poor 10 78 - 12 - 6065/5699=3, 5664/1.8=2...(4) HG12 ILE 80 - HB2 MET 50 poor 9 78 - 12 - 5664/1.8=1, 3.2/5663=1...(4) HG2 LYS 44 - HB2 MET 50 lone 5 100 - 5 - HG2 LYS 86 - HB2 MET 50 lone 4 81 - 5 - ~2448=1, ~2466=1 HG LEU 53 - HB2 MET 50 lone 2 71 - 3 - Peak 5662 from cnoeabs.peaks (1.20, 1.65, 30.35 ppm; 4.39 A): 3 out of 4 assignments used, quality = 0.94: HB3 LYS 41 + HB2 MET 50 OK 91 100 - 92 - 4.0/5696=22, 5665/1.8=22...(30) HG13 ILE 37 + HB2 MET 50 OK 23 81 - 29 - 5665/1.8=5, 5271=4...(13) HG13 ILE 16 + HB2 MET 50 OK 16 85 - 19 - 5665/1.8=4, 3.2/5663=4...(9) QG2 THR 59 - HB2 MET 50 lone 7 73 - 9 - 5665/1.8=2, 2.1/5912=1 Peak 5663 from cnoeabs.peaks (0.82, 1.65, 30.35 ppm; 4.44 A): 4 out of 8 assignments used, quality = 0.92: QG2 ILE 40 + HB2 MET 50 OK 73 98 - 75 - 5385/4.0=25, 4.1/5696=23...(17) QG1 VAL 30 + HB2 MET 50 OK 38 90 - 42 - 3.2/5677=9, ~5679=6...(13) QG2 VAL 30 + HB2 MET 50 OK 32 78 - 41 - 3.2/5677=9, ~5679=6...(11) QG2 ILE 16 + HB2 MET 50 OK 29 100 - 29 - 3.2/5662=4, 5670/2.9=3...(12) QG2 ILE 37 - HB2 MET 50 OK 20 73 - 27 - 3.2/5662=5, 5670/2.9=3...(13) QG2 ILE 80 - HB2 MET 50 OK 14 85 - 16 - 5657/4.0=4, 3.2/5661=2...(5) QG2 VAL 25 - HB2 MET 50 OK 13 99 - 13 - ~5666=1, 5667/2.9=1, 5657/4.0=1 QD2 LEU 62 - HB2 MET 50 OK 11 95 - 12 - 5657/4.0=2, 5670/2.9=2 Peak 5664 from cnoeabs.peaks (1.46, 2.03, 30.35 ppm; 3.99 A): 3 out of 20 assignments used, quality = 0.96: HB2 LYS 41 + HB3 MET 50 OK 87 98 - 89 - 1.8/5665=18, ~5662=16...(31) HB ILE 51 + HB3 MET 50 OK 55 100 - 55 - 2493/4.6=22, 5713/3.0=13...(13) QB ALA 31 + HB3 MET 50 OK 36 100 - 37 - 5661/1.8=5, 5.0/5679=5...(15) HG13 ILE 51 - HB3 MET 50 OK 26 65 - 40 - 5.2/4206=15, ~5713=7...(12) QG2 THR 67 - HB3 MET 50 OK 13 99 - 13 - 6065/6180=2, 5661/1.8=2...(6) HG12 ILE 80 - HB3 MET 50 OK 12 99 - 12 - 5661/1.8=2, 5656/4.0=2...(4) HB2 LYS 41 - HB2 GLU 23 poor 7 57 - 13 - 1.8/5665=2, 5466/3.0=2...(5) HG2 LYS 44 - HB3 MET 50 lone 5 96 - 6 - HG3 LYS 94 - HB3 MET 50 lone 3 85 - 4 - QB ALA 31 - HB2 GLU 23 lone 2 60 - 4 - HB ILE 51 - HB2 GLU 23 lone 2 60 - 4 - HG3 LYS 63 - HB3 MET 50 lone 2 65 - 3 - HG2 LYS 63 - HB3 MET 50 lone 2 65 - 3 - QG2 THR 67 - HB2 GLU 23 lone 1 58 - 2 - HG13 ILE 51 - HB2 GLU 23 lone 1 33 - 4 - ~4862=1 HG12 ILE 80 - HB2 GLU 23 lone 1 58 - 2 - HG3 LYS 63 - HB2 GLU 23 lone 1 33 - 4 - HG2 LYS 63 - HB2 GLU 23 lone 1 33 - 4 - HG2 LYS 44 - HB2 GLU 23 lone 1 54 - 2 - HG3 LYS 94 - HB2 GLU 23 lone 1 45 - 1 - Peak 5665 from cnoeabs.peaks (1.20, 2.03, 30.35 ppm; 4.52 A): 1 out of 8 assignments used, quality = 0.94: HB3 LYS 41 + HB3 MET 50 OK 94 100 - 94 - 5662/1.8=27, 5463=16...(32) HG13 ILE 37 - HB3 MET 50 OK 22 81 - 27 - 5662/1.8=7, 5673/4.1=3...(10) HG13 ILE 16 - HB3 MET 50 OK 17 85 - 20 - 5662/1.8=5, ~5663=3...(8) HB3 LYS 41 - HB2 GLU 23 poor 10 60 - 16 - 5463=2, 5464/3.0=2...(8) QG2 THR 59 - HB3 MET 50 lone 7 73 - 9 - 5662/1.8=2, 2745/3.0=1 HG13 ILE 16 - HB2 GLU 23 lone 3 45 - 6 - 4645/4.0=1 HG13 ILE 37 - HB2 GLU 23 lone 3 42 - 6 - 5322/4.0=2 QG2 THR 59 - HB2 GLU 23 lone 1 37 - 4 - 5902/3.0=1, 5903/3.0=1 Peak 5666 from cnoeabs.peaks (0.80, 2.03, 30.35 ppm; 4.53 A): 5 out of 10 assignments used, quality = 0.83: QG2 ILE 40 + HB3 MET 50 OK 65 93 - 70 - 5385/4.0=25, 4.1/5697=16...(14) QG1 VAL 25 + HB2 GLU 23 OK 21 56 - 38 - 4863/3.0=12, 4869/4.1=11...(6) QG2 ILE 40 + HB2 GLU 23 OK 17 52 - 32 - 4859/4.0=5, 4863/3.0=5...(13) QG2 VAL 25 + HB2 GLU 23 OK 17 49 - 34 - 4869/4.1=8, 4863/3.0=8...(6) QG2 ILE 16 + HB3 MET 50 OK 12 63 - 19 - 3.2/5665=3, 5663/1.8=3...(6) QD1 ILE 93 - HB3 MET 50 lone 9 93 - 9 - 6841/2.9=3, 6854/1.8=2 QG1 VAL 25 - HB3 MET 50 lone 9 97 - 9 - ~5663=2, 4905/5679=1 QG2 VAL 25 - HB3 MET 50 lone 7 90 - 7 - 5667/2.9=1, 5663/1.8=1 QD1 ILE 93 - HB2 GLU 23 poor 6 52 - 11 - 4859/4.0=3, 4863/3.0=3...(4) QG2 ILE 16 - HB2 GLU 23 lone 3 31 - 8 - 4859/4.0=2, ~4860=1, ~4864=1 Peak 5667 from cnoeabs.peaks (0.81, 2.27, 32.38 ppm; 4.42 A): 5 out of 14 assignments used, quality = 0.80: QG2 ILE 40 + HG2 MET 50 OK 55 100 - 55 - 5385/5.0=20, 5666/2.9=12...(13) QD1 ILE 93 + HB3 LYS 86 OK 28 61 - 47 - 6841=14, 6658/4.0=13...(11) QG1 VAL 30 + HG2 MET 50 OK 17 57 - 31 - ~5677=5, 5663/2.9=4...(9) QG2 ILE 16 + HG2 MET 50 OK 15 85 - 18 - 5663/2.9=3, 5666/2.9=2...(6) QG2 ILE 40 + HB3 LYS 86 OK 10 87 - 11 - 5385/815=2, 6658/4.0=1...(4) QD2 LEU 62 - HG2 MET 50 poor 8 65 - 13 - 4.5/5701=5, 4.0/7091=2...(4) QG2 VAL 25 - HG2 MET 50 lone 8 99 - 7 - 5663/2.9=2, 5666/2.9=1, ~5666=1 QD1 ILE 93 - HG2 MET 50 lone 7 76 - 9 - 6841=3, 5666/2.9=2, 6854/2.9=1 QG1 VAL 25 - HB3 LYS 86 lone 6 70 - 9 - 6658/4.0=4 QD2 LEU 62 - HB3 LYS 86 poor 6 52 - 11 - 4.5/5701=5, 4.0/7091=1 QG1 VAL 25 - HG2 MET 50 lone 5 85 - 6 - 5666/2.9=2, ~5663=1 QG2 VAL 25 - HB3 LYS 86 lone 5 86 - 5 - 6658/4.0=1 QG2 ILE 16 - HB3 LYS 86 lone 3 70 - 5 - 4627/4734=2 QG1 VAL 30 - HB3 LYS 86 lone 2 45 - 5 - Peak 5668 from cnoeabs.peaks (1.46, 2.38, 32.38 ppm; 4.47 A): 2 out of 10 assignments used, quality = 0.96: HB2 LYS 41 + HG3 MET 50 OK 91 98 - 93 - ~5662=15, 3.0/7081=15...(33) HB ILE 51 + HG3 MET 50 OK 59 100 - 59 - 3.8/4208=27, 5713/3.8=14...(12) QB ALA 31 - HG3 MET 50 OK 32 100 - 32 - 5664/2.9=5, 5661/2.9=5...(14) HG13 ILE 51 - HG3 MET 50 OK 24 65 - 37 - 5.2/4208=20, ~5661=4...(8) QG2 THR 67 - HG3 MET 50 OK 15 99 - 15 - 5664/2.9=2, 5661/2.9=2...(5) HG12 ILE 80 - HG3 MET 50 OK 14 99 - 14 - 3.2/5670=2, 5664/2.9=2...(6) HG2 LYS 44 - HG3 MET 50 lone 6 96 - 6 - HG3 LYS 94 - HG3 MET 50 lone 4 85 - 4 - HG2 LYS 63 - HG3 MET 50 lone 2 65 - 3 - HG3 LYS 63 - HG3 MET 50 lone 2 65 - 3 - Peak 5669 from cnoeabs.peaks (1.17, 2.38, 32.38 ppm; 5.27 A): 4 out of 6 assignments used, quality = 0.90: HB3 LYS 41 + HG3 MET 50 OK 71 73 - 96 - 5673/3.3=23, 3.0/7081=19...(32) HG13 ILE 27 + HG3 MET 50 OK 45 97 - 47 - 2.1/4985=17...(8) HG13 ILE 37 + HG3 MET 50 OK 29 99 - 29 - 5271/2.9=5, 3.2/5670=5...(10) QG2 THR 15 + HG3 MET 50 OK 17 92 - 19 - 4571/6191=5, 4.1/5703=3...(6) HB2 LEU 21 - HG3 MET 50 poor 10 92 - 11 - ~4811=1, ~4807=1...(4) HB3 LEU 21 - HG3 MET 50 poor 9 89 - 10 - ~4811=1, ~4807=1, 6196/5688=1 Peak 5670 from cnoeabs.peaks (0.84, 2.38, 32.38 ppm; 5.17 A): 7 out of 8 assignments used, quality = 0.94: QG2 ILE 40 + HG3 MET 50 OK 47 76 - 62 - 5385/5.0=19, 4.1/5458=12...(13) QG2 VAL 30 + HG3 MET 50 OK 44 99 - 45 - ~5677=7, ~5679=6...(10) QG1 VAL 30 + HG3 MET 50 OK 40 100 - 41 - ~5677=7, ~5679=6...(11) QG2 ILE 37 + HG3 MET 50 OK 31 97 - 31 - 3.2/5669=5, ~5662=4...(12) QG2 ILE 16 + HG3 MET 50 OK 27 98 - 28 - 5663/2.9=4, 4.0/5703=3...(11) QG2 ILE 80 + HG3 MET 50 OK 17 100 - 17 - 5657/5.0=4, 5660/3.8=2...(7) QD2 LEU 62 + HG3 MET 50 OK 16 100 - 16 - 4.0/7092=3, 4.5/5703=3...(5) QG2 VAL 25 - HG3 MET 50 poor 10 81 - 12 - 5663/2.9=2, ~5666=1...(4) Peak 5671 from cnoeabs.peaks (1.49, 2.03, 16.76 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.86: HB2 LYS 41 + QE MET 50 OK 62 85 - 74 - 1.8/5673=19, 3.0/5672=16...(22) HG3 LYS 41 + QE MET 50 OK 57 83 - 70 - 1.8/5672=21, 3.8/5694=19...(17) QB ALA 31 + QE MET 50 OK 11 71 - 16 - 5.0/5691=3, 5661/4.1=2...(5) HG2 LYS 86 - QE MET 50 lone 3 99 - 3 - 3.0/5672=1 HG2 LYS 45 - QE MET 50 lone 3 65 - 5 - 1.8/5672=2 HG2 LYS 44 - QE MET 50 lone 3 90 - 3 - HG LEU 53 - QE MET 50 lone 2 97 - 3 - HG2 LYS 94 - QE MET 50 lone 2 87 - 3 - Peak 5672 from cnoeabs.peaks (1.42, 2.03, 16.76 ppm; 3.58 A): 2 out of 10 assignments used, quality = 0.62: HG2 LYS 41 + QE MET 50 OK 58 81 - 72 - 3.8/5694=19, 3.0/5673=15...(20) HG13 ILE 51 + QE MET 50 OK 11 92 - 12 - 6680/6.0=5, 5.2/227=4, ~5668=2 HG2 LYS 61 - QE MET 50 lone 8 100 - 8 - 3.9/5694=2, 3.0/2481=1 HG3 LYS 61 - QE MET 50 lone 8 100 - 8 - 3.9/5694=2, 3.0/2481=1 HD3 LYS 86 - QE MET 50 lone 4 100 - 4 - 6680/6.0=1 HG3 LYS 45 - QE MET 50 lone 4 90 - 5 - QB ALA 78 - QE MET 50 lone 3 83 - 3 - HG3 LYS 94 - QE MET 50 lone 2 76 - 2 - HG2 LYS 63 - QE MET 50 lone 1 92 - 1 - HG3 LYS 63 - QE MET 50 lone 1 92 - 1 - Peak 5673 from cnoeabs.peaks (1.19, 2.03, 16.76 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.91: HB3 LYS 41 + QE MET 50 OK 86 97 - 89 - 3.0/5672=21, 4.8/5694=20...(25) HG13 ILE 27 + QE MET 50 OK 18 71 - 26 - 3.2/4970=10, ~4985=6...(5) HG13 ILE 37 + QE MET 50 OK 16 99 - 16 - 5662/4.1=3, 5669/3.3=3...(5) QG2 THR 15 - QE MET 50 lone 5 60 - 8 - 4548/6180=2, 5669/3.3=2...(4) HB2 LEU 21 - QE MET 50 lone 4 60 - 6 - 4.0/426=1 Peak 5676 from cnoeabs.peaks (3.64, 1.65, 30.35 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.86: HB3 SER 69 + HB2 MET 50 OK 83 97 - 86 - 5678/1.8=35, 4.0/5699=17...(14) HD3 PRO 49 + HB2 MET 50 OK 19 63 - 30 - 3.6/5680=12, 220/4.0=7...(6) Peak 5677 from cnoeabs.peaks (3.73, 1.65, 30.35 ppm; 4.45 A): 3 out of 4 assignments used, quality = 0.76: HB THR 42 + HB2 MET 50 OK 56 100 - 57 - 5679/1.8=17, 5691/4.1=14...(12) HA VAL 30 + HB2 MET 50 OK 37 96 - 38 - 5679/1.8=11, 5691/4.1=7...(10) HA2 GLY 20 + HB2 MET 50 OK 15 100 - 15 - 5691/4.1=5, 5679/1.8=5, 2.9/50=2 HA2 GLY 64 - HB2 MET 50 lone 8 97 - 8 - 5679/1.8=2, 5691/4.1=2 Peak 5678 from cnoeabs.peaks (3.64, 2.03, 30.35 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.83: HB3 SER 69 + HB3 MET 50 OK 83 99 - 84 - 5676/1.8=29, 6193=22...(14) HB3 SER 69 - HB2 GLU 23 lone 4 59 - 6 - 6193=2, 6192/3.0=1 Peak 5679 from cnoeabs.peaks (3.74, 2.03, 30.35 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.74: HB THR 42 + HB3 MET 50 OK 54 99 - 55 - 5677/1.8=17, 5691/4.1=13...(11) HA VAL 30 + HB3 MET 50 OK 35 99 - 35 - 5677/1.8=11, 5691/4.1=6...(10) HA2 GLY 20 + HB3 MET 50 OK 14 100 - 14 - 5677/1.8=5, 5691/4.1=5, ~50=2 HA2 GLY 64 - HB3 MET 50 lone 8 100 - 7 - 5677/1.8=3, 5691/4.1=2 HA VAL 30 - HB2 GLU 23 lone 5 58 - 8 - 4857/3.0=2, 4855/3.0=2 HA2 GLY 64 - HB2 GLU 23 lone 4 59 - 7 - 4857/3.0=1, 4855/3.0=1 HB THR 42 - HB2 GLU 23 lone 3 58 - 5 - HA2 GLY 60 - HB2 GLU 23 lone 2 33 - 5 - 4857/3.0=2, 4855/3.0=1 HA2 GLY 20 - HB2 GLU 23 lone 1 60 - 2 - HA2 GLY 60 - HB3 MET 50 lone 1 65 - 2 - Peak 5680 from cnoeabs.peaks (4.59, 1.65, 30.35 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.87: HA PRO 49 + HB2 MET 50 OK 84 100 - 84 - 214/4.0=41, 5681/1.8=30...(8) HA ASP 12 + HB2 MET 50 OK 17 92 - 19 - 5681/1.8=7, 5685/2.9=5...(4) HA ASN 13 - HB2 MET 50 lone 3 60 - 4 - 5681/1.8=1 Peak 5681 from cnoeabs.peaks (4.59, 2.03, 30.35 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.87: HA PRO 49 + HB3 MET 50 OK 84 100 - 84 - 214/4.0=41, 5680/1.8=32...(7) HA ASP 12 + HB3 MET 50 OK 18 92 - 20 - 5680/1.8=7, 5685/2.9=5...(5) HA PRO 49 - HB2 GLU 23 lone 3 61 - 5 - 5415/5666=1, 3.6/2458=1 HA ASN 13 - HB3 MET 50 lone 3 60 - 5 - 5680/1.8=1 HA ASN 13 - HB2 GLU 23 lone 2 29 - 8 - ~1498=1, ~1504=1, ~4872=1 HA ASP 12 - HB2 GLU 23 lone 2 51 - 4 - ~4502=1 Peak 5682 from cnoeabs.peaks (3.64, 2.27, 32.38 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.95: HB3 SER 69 + HG2 MET 50 OK 91 97 - 95 - 5678/2.9=39, 5676/2.9=34...(12) HD3 PRO 49 + HG2 MET 50 OK 30 63 - 48 - 3.6/5685=22, 5688/1.8=11...(6) HB3 SER 69 + HB3 LYS 86 OK 11 82 - 14 - 6192=4, 1.8/6186=3...(6) HD3 PRO 49 - HB3 LYS 86 lone 5 50 - 10 - 3.8/6662=4, 3.6/5685=3 Peak 5683 from cnoeabs.peaks (3.28, 2.27, 32.38 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.89: HB2 ASN 43 + HG2 MET 50 OK 89 99 - 90 - 5689/1.8=44, 1.8/5684=36...(9) HB2 ASN 43 - HB3 LYS 86 lone 7 87 - 8 - 1.8/5535=3, 4.0/5525=2 Peak 5684 from cnoeabs.peaks (2.55, 2.27, 32.38 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.93: HB3 ASN 43 + HG2 MET 50 OK 92 100 - 92 - 5535=36, 1.8/5683=29...(12) HB2 TRP 82 + HB3 LYS 86 OK 10 77 - 13 - 4.3/6678=5, 6557/4734=3...(4) HB3 ASN 43 - HB3 LYS 86 lone 8 88 - 9 - 5535=4, 1.8/5683=2, 4.0/5525=2 HB2 TRP 82 - HG2 MET 50 lone 5 92 - 5 - HB2 ASN 13 - HG2 MET 50 lone 2 65 - 4 - HB2 ASN 13 - HB3 LYS 86 lone 1 52 - 2 - Peak 5685 from cnoeabs.peaks (4.58, 2.27, 32.38 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.80: HA PRO 49 + HG2 MET 50 OK 74 100 - 74 - 5686/1.8=31, 3.6/815=27...(9) HA ASP 12 + HG2 MET 50 OK 13 85 - 15 - 5680/2.9=4, 5681/2.9=4...(4) HA PRO 49 + HB3 LYS 86 OK 11 88 - 12 - 3.6/815=4, 4.8/6662=3 HA ASP 12 - HB3 LYS 86 lone 2 70 - 2 - Peak 5686 from cnoeabs.peaks (4.57, 2.38, 32.38 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.63: HA PRO 49 + HG3 MET 50 OK 63 89 - 71 - 3.6/2472=27, 5685/1.8=27...(7) Peak 5688 from cnoeabs.peaks (3.64, 2.38, 32.38 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.93: HB3 SER 69 + HG3 MET 50 OK 90 97 - 93 - 5678/2.9=37, 5676/2.9=32...(13) HD3 PRO 49 + HG3 MET 50 OK 31 63 - 50 - 3.6/5686=26, 220/5.0=8...(7) Peak 5689 from cnoeabs.peaks (3.28, 2.38, 32.38 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.91: HB2 ASN 43 + HG3 MET 50 OK 91 99 - 92 - 5683/1.8=33, ~5684=25...(14) Peak 5690 from cnoeabs.peaks (4.53, 2.03, 16.76 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.63: HA ASN 43 + QE MET 50 OK 63 100 - 63 - 3.0/7193=20, ~5689=9...(12) HA3 GLY 20 - QE MET 50 lone 8 100 - 8 - 1.8/5691=6, 3.6/426=1 Peak 5691 from cnoeabs.peaks (3.74, 2.03, 16.76 ppm; 4.10 A): 3 out of 5 assignments used, quality = 0.59: HB THR 42 + QE MET 50 OK 41 99 - 42 - 5677/4.1=10, 5679/4.1=9...(9) HA VAL 30 + QE MET 50 OK 20 99 - 21 - 5677/4.1=7, 5679/4.1=6...(7) HA2 GLY 20 + QE MET 50 OK 14 100 - 13 - 1.8/5690=5, 5677/4.1=3...(4) HA2 GLY 64 - QE MET 50 lone 5 100 - 5 - 5677/4.1=2, 5679/4.1=1 HA2 GLY 60 - QE MET 50 lone 1 65 - 2 - Peak 5693 from cnoeabs.peaks (3.65, 2.03, 16.76 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.77: HB3 SER 69 + QE MET 50 OK 70 83 - 85 - 5678/4.1=23, 5676/4.1=21...(14) HD3 PRO 49 + QE MET 50 OK 22 85 - 26 - 220/6.0=8, 5688/3.3=7...(5) HA2 GLY 47 - QE MET 50 lone 5 71 - 7 - ~5578=5, 220/6.0=1 Peak 5694 from cnoeabs.peaks (3.06, 2.03, 16.76 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.47: HE2 LYS 41 + QE MET 50 OK 47 98 - 49 - 3.8/5672=13, 4.8/5673=10...(11) HE2 LYS 61 - QE MET 50 lone 4 65 - 7 - 3.9/5672=2, 3.9/5672=2 HB2 SER 75 - QE MET 50 lone 1 78 - 2 - HB2 ASP 56 - QE MET 50 lone 1 97 - 1 - HE2 LYS 77 - QE MET 50 lone 1 95 - 1 - Peak 5696 from cnoeabs.peaks (8.67, 1.65, 30.35 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.86: H LYS 41 + HB2 MET 50 OK 86 100 - 87 - 5697/1.8=26, 5483/4.0=22...(19) Peak 5697 from cnoeabs.peaks (8.68, 2.03, 30.35 ppm; 5.09 A): 2 out of 4 assignments used, quality = 0.94: H LYS 41 + HB3 MET 50 OK 91 100 - 91 - 5696/1.8=42, 5483/4.0=23...(16) H ALA 31 + HB3 MET 50 OK 28 68 - 41 - 3.6/5679=10, 5695/4.0=7...(12) H LYS 41 - HB2 GLU 23 poor 8 61 - 13 - 4.1/5666=3, 4.0/5665=2...(4) H ALA 31 - HB2 GLU 23 lone 2 34 - 6 - 3.6/5679=1 Peak 5699 from cnoeabs.peaks (7.68, 1.65, 30.35 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.72: H SER 69 + HB2 MET 50 OK 72 99 - 72 - 4.0/5676=24, 6180/1.8=22...(9) H GLN 48 - HB2 MET 50 poor 7 63 - 11 - 4.8/5676=4, 808/2.9=2, ~6662=1 Peak 5701 from cnoeabs.peaks (8.78, 2.27, 32.38 ppm; 5.30 A): 4 out of 4 assignments used, quality = 0.48: H LEU 62 + HG2 MET 50 OK 17 98 - 18 - ~7092=3, 3.0/7091=3...(8) H LEU 62 + HB3 LYS 86 OK 16 84 - 18 - 1106/4.0=4, 4.6/3572=3...(7) H GLU 28 + HB3 LYS 86 OK 14 59 - 23 - 4.6/98=4, 690=4...(8) H GLU 28 + HG2 MET 50 OK 14 73 - 19 - 5703/1.8=5, 690=3...(6) Peak 5703 from cnoeabs.peaks (8.79, 2.38, 32.38 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.88: H ASN 43 + HG3 MET 50 OK 82 96 - 85 - 5524=32, 5525/1.8=25...(11) H GLU 28 + HG3 MET 50 OK 18 100 - 18 - 5701/1.8=5, 91/2.9=3...(5) H ILE 16 + HG3 MET 50 OK 11 87 - 13 - 4.0/5670=3, 4.1/5669=2 H LEU 62 + HG3 MET 50 OK 10 63 - 16 - 5701/1.8=6, 3.0/7092=3...(5) Peak 5704 from cnoeabs.peaks (7.96, 0.72, 16.24 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.80: H VAL 30 + QG2 ILE 51 OK 71 92 - 78 - 5038/5751=16, 5037=15...(16) H ASP 84 + QG2 ILE 51 OK 16 100 - 16 - 5710/3.2=4, 4.3/5730=2 H ASP 81 + QG2 ILE 51 OK 16 100 - 16 - 5710/3.2=4, 369/2.1=2...(5) HE21 GLN 19 - QG2 ILE 51 lone 10 99 - 10 - 6.6/5707=4, 5710/3.2=2 HD21 ASN 14 - QG2 ILE 51 lone 7 65 - 10 - 3.5/5730=4, ~5726=2, ~5738=2 Peak 5705 from cnoeabs.peaks (8.44, 0.72, 16.24 ppm; 4.60 A): 5 out of 6 assignments used, quality = 0.94: H THR 67 + QG2 ILE 51 OK 79 99 - 80 - 6103=28, 3.6/5716=26...(15) H GLY 60 + QG2 ILE 51 OK 37 100 - 36 - 5936/3.2=9, 5935/2.1=5...(10) H ILE 93 + QG2 ILE 51 OK 32 81 - 39 - 4.7/433=9, 3.0/3805=8...(10) H ASP 71 + QG2 ILE 51 OK 28 92 - 30 - 324/3.2=6, ~5713=6...(8) H THR 15 + QG2 ILE 51 OK 12 83 - 15 - 4.0/5735=3, 4.6/5730=3...(4) H GLY 90 - QG2 ILE 51 lone 6 100 - 5 - 4.6/6776=2 Peak 5706 from cnoeabs.peaks (8.59, 0.72, 16.24 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.80: H LEU 53 + QG2 ILE 51 OK 80 100 - 80 - 4.6/5751=34, 1100/4.1=28...(9) H GLU 58 - QG2 ILE 51 poor 10 68 - 14 - 2574/5751=3, 1100/4.1=3...(5) Peak 5707 from cnoeabs.peaks (8.71, 0.72, 16.24 ppm; 4.78 A): 4 out of 4 assignments used, quality = 0.94: H ALA 31 + QG2 ILE 51 OK 81 100 - 81 - 5708/3.2=21, ~5723=16...(17) H GLN 19 + QG2 ILE 51 OK 38 87 - 43 - 4.6/4752=8, 5708/3.2=7...(14) H ILE 40 + QG2 ILE 51 OK 37 100 - 37 - 5708/3.2=10, ~5410=4...(13) H LYS 41 + QG2 ILE 51 OK 17 60 - 29 - 5456/5754=6, 5708/3.2=4...(8) Peak 5708 from cnoeabs.peaks (8.71, 0.87, 14.06 ppm; 3.41 A): 4 out of 4 assignments used, quality = 0.78: H ALA 31 + QD1 ILE 51 OK 57 100 - 57 - 3.0/5723=21, 5707/3.2=7...(16) H ILE 40 + QD1 ILE 51 OK 28 100 - 28 - 163=7, 4.7/7162=6...(8) H GLN 19 + QD1 ILE 51 OK 20 87 - 22 - 43=6, 5707/3.2=3...(7) H LYS 41 + QD1 ILE 51 OK 12 60 - 20 - 5456/5761=3, 4.6/163=2...(9) Peak 5709 from cnoeabs.peaks (8.88, 0.87, 14.06 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.85: H MET 50 + QD1 ILE 51 OK 80 100 - 80 - 4.6/2521=29, 3.8/5744=28...(12) H PHE 97 + QD1 ILE 51 OK 27 98 - 28 - 6680/2.1=7, 221/4.9=6...(9) Peak 5710 from cnoeabs.peaks (7.96, 0.87, 14.06 ppm; 4.77 A): 5 out of 5 assignments used, quality = 0.89: H VAL 30 + QD1 ILE 51 OK 68 97 - 71 - 5704/3.2=18, 4.6/5708=15...(19) H PHE 34 + QD1 ILE 51 OK 39 68 - 58 - 4.5/5712=15, 4.1/5739=10...(18) H ASP 84 + QD1 ILE 51 OK 21 98 - 21 - 5704/3.2=4, 6634=3...(6) H ASP 81 + QD1 ILE 51 OK 18 100 - 18 - 5704/3.2=4, 369/3.2=2...(5) HE21 GLN 19 + QD1 ILE 51 OK 11 97 - 11 - 6.6/5708=3, 5704/3.2=2 Peak 5712 from cnoeabs.peaks (7.42, 0.87, 14.06 ppm; 4.80 A): 3 out of 4 assignments used, quality = 0.74: QD PHE 34 + QD1 ILE 51 OK 60 97 - 62 - 4685/5761=17...(13) H THR 46 + QD1 ILE 51 OK 24 100 - 23 - 4.7/5581=5, 5556/5543=3...(11) H ALA 76 + QD1 ILE 51 OK 15 71 - 21 - 4.6/5723=4, 6162/5761=3...(8) HE3 TRP 82 - QD1 ILE 51 lone 1 63 - 2 - Peak 5713 from cnoeabs.peaks (4.42, 1.46, 42.12 ppm; 4.94 A): 2 out of 5 assignments used, quality = 0.86: HA MET 50 + HB ILE 51 OK 77 100 - 77 - 4204/3.8=44, ~5709=13...(14) HA ASP 71 + HB ILE 51 OK 38 96 - 40 - ~6248=7, 222/3.8=6...(13) HA THR 59 - HB ILE 51 lone 8 99 - 8 - 3.6/5935=5 HA PRO 74 - HB ILE 51 lone 4 81 - 5 - HA PRO 73 - HB ILE 51 lone 3 63 - 4 - Peak 5715 from cnoeabs.peaks (4.93, 0.72, 16.24 ppm; 4.36 A): 4 out of 5 assignments used, quality = 0.91: HA ASN 52 + QG2 ILE 51 OK 84 100 - 84 - 2.9/231=31, 3.6/5706=22...(18) HA LYS 35 + QG2 ILE 51 OK 21 81 - 26 - 3.0/4212=5, ~7035=4...(12) HA VAL 18 + QG2 ILE 51 OK 17 76 - 23 - 3.6/5707=5, 3.2/2506=5...(8) HA ASN 24 + QG2 ILE 51 OK 15 97 - 16 - 5799/5751=3, ~4868=3...(7) HA VAL 95 - QG2 ILE 51 poor 9 68 - 13 - 3.2/6027=3, 5799/5751=2 Peak 5716 from cnoeabs.peaks (5.59, 0.72, 16.24 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.87: HA ALA 66 + QG2 ILE 51 OK 87 100 - 87 - 6020=31, 5775/4.1=31...(18) Peak 5717 from cnoeabs.peaks (4.24, 0.72, 16.24 ppm; 4.37 A): 2 out of 7 assignments used, quality = 0.99: HA VAL 68 + QG2 ILE 51 OK 97 99 - 99 - 6118=39, 3.2/6123=31...(31) HA3 GLY 64 + QG2 ILE 51 OK 48 100 - 48 - 5722/3.2=8, 1.8/5718=7...(17) HA ILE 37 - QG2 ILE 51 OK 17 96 - 17 - 5722/3.2=3, 3.0/5733=3...(7) HA LYS 45 - QG2 ILE 51 lone 8 99 - 8 - 5722/3.2=2, 5719/3.2=1 HA3 GLY 85 - QG2 ILE 51 poor 8 71 - 11 - ~5723=1, 5719/3.2=1, 5722/3.2=1 HA ALA 79 - QG2 ILE 51 poor 7 57 - 12 - 2.1/5734=3, ~5746=2 HA GLU 58 - QG2 ILE 51 lone 5 65 - 8 - 3.0/5706=3, 5770/4.1=1 Peak 5718 from cnoeabs.peaks (3.75, 0.72, 16.24 ppm; 5.15 A): 3 out of 6 assignments used, quality = 0.95: HA VAL 30 + QG2 ILE 51 OK 80 100 - 81 - 3.0/5704=21, 3.0/5043=18...(23) HA2 GLY 64 + QG2 ILE 51 OK 56 100 - 57 - 1.8/5717=12, ~5722=7...(16) HA2 GLY 20 + QG2 ILE 51 OK 46 95 - 49 - 4759=12, 1.8/4762=12...(9) HA2 GLY 60 - QG2 ILE 51 OK 32 89 - 36 - 5937/3.2=8, 3.0/5705=7...(8) HB THR 42 - QG2 ILE 51 OK 10 87 - 12 - ~5492=3, 5490/2.1=2...(4) HA2 GLY 22 - QG2 ILE 51 lone 7 68 - 10 - 4836/6118=2, 4808/5753=2 Peak 5719 from cnoeabs.peaks (4.24, 1.02, 27.65 ppm; 4.33 A): 2 out of 8 assignments used, quality = 0.99: HA VAL 68 + HG12 ILE 51 OK 98 100 - 98 - 6116=34, 3.2/5756=34...(27) HA3 GLY 64 + HG12 ILE 51 OK 47 100 - 47 - 3.0/5990=10, 5722/2.1=9...(14) HA LYS 63 - HG12 ILE 51 OK 20 63 - 32 - 3.6/5990=9, 3.0/287=7...(10) HA ILE 37 - HG12 ILE 51 OK 13 89 - 14 - 5722/2.1=3, 5717/3.2=3...(5) HA LYS 45 - HG12 ILE 51 lone 7 100 - 7 - 5722/2.1=2, 5717/3.2=1 HA3 GLY 85 - HG12 ILE 51 lone 7 83 - 9 - ~5723=2, 5717/3.2=1...(4) HA ALA 79 - HG12 ILE 51 lone 7 71 - 9 - ~5746=2, ~5734=1, 5717/3.2=1 HA GLU 58 - HG12 ILE 51 lone 6 78 - 8 - 5889/5888=2, ~5706=2 Peak 5720 from cnoeabs.peaks (4.24, 1.43, 27.65 ppm; 4.43 A): 2 out of 16 assignments used, quality = 0.99: HA VAL 68 + HG13 ILE 51 OK 98 100 - 98 - 6116/1.8=30, 3.2/5758=28...(30) HA3 GLY 64 + HG13 ILE 51 OK 49 100 - 50 - 5722/2.1=9, 5719/1.8=9...(15) HA3 GLY 85 - HD3 LYS 86 OK 21 71 - 31 - 3.6/997=14, ~6652=5...(6) HA LYS 63 - HG13 ILE 51 OK 19 63 - 30 - ~287=6, ~5977=5...(9) HA VAL 68 - HD3 LYS 86 OK 17 91 - 18 - 3.2/5758=5, 3.2/5757=3...(6) HA ILE 37 - HG13 ILE 51 OK 13 89 - 15 - 5722/2.1=3, 5717/3.2=3...(5) HA LYS 63 - HD3 LYS 86 OK 10 52 - 19 - ~3602=4, 3.0/3612=3...(7) HA3 GLY 85 - HG13 ILE 51 poor 9 83 - 10 - ~5723=2, 5719/1.8=1...(5) HA LYS 45 - HG13 ILE 51 lone 8 100 - 8 - 5722/2.1=2, 5719/1.8=1 HA3 GLY 64 - HD3 LYS 86 lone 8 91 - 8 - 3.0/293=1 HA ALA 79 - HG13 ILE 51 lone 7 71 - 10 - ~5746=2, ~5734=1...(4) HA LYS 45 - HD3 LYS 86 lone 6 92 - 6 - 3.6/202=2 HA ALA 79 - HD3 LYS 86 lone 6 59 - 10 - 3.6/6677=5, 4799/6677=2 HA GLU 58 - HG13 ILE 51 lone 5 78 - 6 - ~5706=2, 5719/1.8=1 HA ILE 37 - HD3 LYS 86 lone 3 76 - 4 - HA GLU 58 - HD3 LYS 86 lone 1 66 - 2 - Peak 5722 from cnoeabs.peaks (4.23, 0.87, 14.06 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.97: HA VAL 68 + QD1 ILE 51 OK 94 96 - 98 - 3.2/5761=38, 6116/2.1=27...(26) HA3 GLY 64 + QD1 ILE 51 OK 46 99 - 47 - 5719/2.1=8, 5717/3.2=8...(13) HA ILE 37 - QD1 ILE 51 OK 15 99 - 15 - 5717/3.2=3, 5719/2.1=2...(6) HA LYS 45 - QD1 ILE 51 OK 12 97 - 12 - 3.6/5712=6, 5719/2.1=1 HA3 GLY 85 - QD1 ILE 51 lone 6 60 - 10 - 1.8/5723=3, 5719/2.1=1...(4) Peak 5723 from cnoeabs.peaks (3.89, 0.87, 14.06 ppm; 3.25 A): 1 out of 5 assignments used, quality = 0.50: HA ALA 31 + QD1 ILE 51 OK 50 100 - 50 - 5088=18, 3.0/5708=12...(11) HB3 SER 75 - QD1 ILE 51 lone 8 99 - 8 - 4.6/5712=2, 6146/5761=1 HA2 GLY 85 - QD1 ILE 51 lone 4 97 - 4 - HA2 GLY 38 - QD1 ILE 51 lone 3 60 - 5 - 1.8/5349=1, 3.6/755=1 HD3 PRO 73 - QD1 ILE 51 lone 2 97 - 2 - Peak 5724 from cnoeabs.peaks (3.98, 0.87, 14.06 ppm; 5.03 A): 4 out of 5 assignments used, quality = 0.76: HA GLU 28 + QD1 ILE 51 OK 46 100 - 47 - 4413/3.2=8, 4412/5708=7...(14) HA LYS 44 + QD1 ILE 51 OK 34 99 - 34 - 5543=16, 3.7/5744=4...(12) HB2 SER 29 + QD1 ILE 51 OK 19 78 - 24 - 4.6/5710=12, 4.0/5024=3...(6) HB3 SER 96 + QD1 ILE 51 OK 16 85 - 18 - 4.5/5709=7, 7090/5742=2...(7) HB3 SER 89 - QD1 ILE 51 lone 3 96 - 4 - Peak 5726 from cnoeabs.peaks (3.51, 1.46, 42.12 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.94: HA ILE 27 + HB ILE 51 OK 93 100 - 93 - 5730/2.1=41, 5738/3.2=32...(22) HB2 ASN 14 + HB ILE 51 OK 13 78 - 16 - 5730/2.1=5, 5738/3.2=4, ~5704=1 HB3 PHE 83 - HB ILE 51 poor 7 57 - 13 - 5730/2.1=3, 5738/3.2=3...(4) Peak 5727 from cnoeabs.peaks (2.21, 1.46, 42.12 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.97: HB2 PRO 49 + HB ILE 51 OK 91 95 - 96 - ~5744=24, 5621/3.0=20...(35) HB VAL 30 + HB ILE 51 OK 73 92 - 80 - 5043/2.1=17, ~5051=14...(22) HB3 GLN 48 - HB ILE 51 OK 31 96 - 32 - 4.8/5650=6, 4.8/5653=5...(10) HG3 GLU 87 - HB ILE 51 OK 28 97 - 29 - 5736/3.0=4, 5740/3.2=4...(9) HB2 PHE 88 - HB ILE 51 OK 21 57 - 37 - ~6718=10, ~4748=9...(6) HG2 GLU 65 - HB ILE 51 OK 16 92 - 17 - 5740/3.2=3, 5732/2.1=2...(7) Peak 5728 from cnoeabs.peaks (1.16, 1.46, 42.12 ppm; 4.44 A): 3 out of 5 assignments used, quality = 0.98: HG13 ILE 27 + HB ILE 51 OK 90 100 - 90 - 3.2/5748=23, 4937/3.8=21...(21) HB2 LEU 21 + HB ILE 51 OK 62 100 - 62 - 5735/2.1=10, 3.1/5749=10...(14) HB3 LEU 21 + HB ILE 51 OK 61 99 - 61 - 3.1/5749=10, 5735/2.1=10...(13) QG2 THR 15 - HB ILE 51 OK 32 100 - 32 - 4570=6, 5735/2.1=4...(9) HG13 ILE 37 - HB ILE 51 OK 16 87 - 19 - 5735/2.1=3, 6136/5750=2...(8) Peak 5730 from cnoeabs.peaks (3.51, 0.72, 16.24 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.79: HA ILE 27 + QG2 ILE 51 OK 79 100 - 79 - 4958=22, 3.2/4967=18...(18) HB2 ASN 14 - QG2 ILE 51 poor 8 78 - 10 - 5738/3.2=2, 5726/2.1=2 HB3 PHE 83 - QG2 ILE 51 poor 6 57 - 10 - 4.3/5704=2, 5738/3.2=2 Peak 5731 from cnoeabs.peaks (2.60, 0.72, 16.24 ppm; 4.85 A): 3 out of 5 assignments used, quality = 0.97: HB3 ASN 52 + QG2 ILE 51 OK 76 100 - 77 - 4.0/231=28, 4.3/5706=24...(12) HB2 ASN 52 + QG2 ILE 51 OK 76 100 - 77 - 4.0/231=28, 4.3/5706=24...(12) HB2 ASP 71 + QG2 ILE 51 OK 39 99 - 39 - ~6248=8, 6247/3.2=8...(9) HB3 ASP 32 - QG2 ILE 51 OK 11 65 - 16 - ~5739=4, ~5124=3...(7) HB3 ASP 12 - QG2 ILE 51 lone 2 60 - 3 - Peak 5732 from cnoeabs.peaks (2.20, 0.72, 16.24 ppm; 3.53 A): 5 out of 8 assignments used, quality = 0.91: HB VAL 30 + QG2 ILE 51 OK 62 99 - 63 - 5043=18, 2.1/5051=12...(16) HB2 PRO 49 + QG2 ILE 51 OK 52 78 - 67 - ~5744=11, 5740/3.2=10...(25) HB2 PHE 88 + QG2 ILE 51 OK 33 81 - 41 - 6714=11, 1.8/6718=9...(9) HG3 GLU 87 + QG2 ILE 51 OK 16 100 - 16 - 5740/3.2=3, 5727/2.1=2...(7) HB3 GLN 48 + QG2 ILE 51 OK 15 100 - 15 - 5613/4967=3, 5740/3.2=2...(6) HG2 GLU 65 - QG2 ILE 51 lone 9 99 - 9 - 5740/3.2=2, 5804/5751=1 HB3 PRO 92 - QG2 ILE 51 poor 7 60 - 12 - 4.1/1026=3, 5043=2, 1.8/5733=1 HG3 PRO 92 - QG2 ILE 51 lone 5 71 - 7 - 2.3/5043=2, 2.3/5733=1 Peak 5733 from cnoeabs.peaks (1.86, 0.72, 16.24 ppm; 4.86 A): 1 out of 11 assignments used, quality = 0.95: HB ILE 27 + QG2 ILE 51 OK 95 100 - 95 - 3.0/5730=37, 2.1/4967=32...(22) HB ILE 37 - QG2 ILE 51 OK 23 99 - 23 - 3.0/5717=3, 3.0/5735=3...(11) HB2 GLU 87 - QG2 ILE 51 OK 20 76 - 26 - 4.1/6711=7, 3.0/5732=4...(9) HB3 LYS 44 - QG2 ILE 51 OK 20 100 - 20 - ~5543=6, ~5724=5...(5) HB2 LYS 44 - QG2 ILE 51 OK 20 100 - 20 - ~5543=6, ~5724=5...(5) HB ILE 16 - QG2 ILE 51 OK 17 100 - 17 - ~4601=3, ~4588=2...(8) HB2 LYS 63 - QG2 ILE 51 OK 16 83 - 19 - 1.8/7093=3, ~5762=3...(9) HB2 PRO 92 - QG2 ILE 51 OK 15 99 - 15 - 4.1/1026=5, 1.8/5043=2...(4) HB2 LYS 61 - QG2 ILE 51 poor 8 76 - 11 - 3.6/6776=2, ~7196=2, 1.8/5734=1 HD3 LYS 77 - QG2 ILE 51 lone 6 99 - 6 - 6426/4820=1 HB2 PRO 74 - QG2 ILE 51 lone 3 73 - 4 - Peak 5734 from cnoeabs.peaks (1.66, 0.72, 16.24 ppm; 4.16 A): 3 out of 18 assignments used, quality = 0.96: HG12 ILE 27 + QG2 ILE 51 OK 86 100 - 86 - 3.8/5730=25, 3.2/4967=24...(17) HB2 MET 50 + QG2 ILE 51 OK 51 99 - 52 - 4205/4.0=22, ~5713=9...(11) HG12 ILE 40 + QG2 ILE 51 OK 42 87 - 48 - 5452/5754=8, ~7162=7...(15) HB ILE 40 - QG2 ILE 51 OK 28 73 - 38 - ~7162=5, 3.9/5707=4...(14) QB ALA 79 - QG2 ILE 51 OK 26 97 - 27 - 6494/5754=8, 5746/3.2=2...(8) HB VAL 18 - QG2 ILE 51 OK 22 81 - 27 - 2.1/2506=6, 4.3/5707=4...(8) HD3 LYS 94 - QG2 ILE 51 OK 15 85 - 17 - 6.1/433=5, 2.9/7093=2...(5) HD2 LYS 94 - QG2 ILE 51 OK 15 85 - 17 - 6.1/433=5, 2.9/7093=2...(5) HG3 GLN 19 - QG2 ILE 51 OK 11 97 - 12 - 5.2/5707=3, 3.5/5704=2...(4) HB3 LYS 61 - QG2 ILE 51 lone 9 100 - 9 - 3.6/6776=1, 1.8/5733=1, ~7196=1 HD2 LYS 44 - QG2 ILE 51 poor 9 76 - 12 - 3.8/5733=2, 3.8/5733=2...(4) HD3 LYS 44 - QG2 ILE 51 poor 8 73 - 12 - 3.8/5733=2, 3.8/5733=2...(4) HD3 LYS 35 - QG2 ILE 51 poor 7 65 - 10 - 5.1/5715=3, 6.3/4212=2...(5) HD3 LYS 63 - QG2 ILE 51 lone 7 76 - 9 - 3.9/7093=2, ~7102=1, 3.9/5733=1 HD2 LYS 61 - QG2 ILE 51 lone 5 76 - 7 - HD3 LYS 61 - QG2 ILE 51 lone 5 76 - 7 - HG3 ARG 57 - QG2 ILE 51 lone 5 78 - 6 - 4.9/5706=2, ~5743=1 HG2 ARG 57 - QG2 ILE 51 lone 5 73 - 6 - 4.9/5706=2, ~5743=1 Peak 5735 from cnoeabs.peaks (1.16, 0.72, 16.24 ppm; 3.83 A): 3 out of 5 assignments used, quality = 0.97: HG13 ILE 27 + QG2 ILE 51 OK 82 100 - 83 - 3.8/5730=22, 3.2/4967=21...(20) HB2 LEU 21 + QG2 ILE 51 OK 56 99 - 57 - 3.1/5753=14, 2.9/4815=10...(15) HB3 LEU 21 + QG2 ILE 51 OK 55 97 - 57 - 3.1/5753=14, 2.9/4815=10...(15) QG2 THR 15 - QG2 ILE 51 OK 21 99 - 21 - 4570/2.1=5, 6136/5754=3...(8) HG13 ILE 37 - QG2 ILE 51 OK 18 93 - 20 - 3.0/5733=2, 6136/5754=2...(8) Peak 5736 from cnoeabs.peaks (2.22, 1.02, 27.65 ppm; 5.22 A): 2 out of 6 assignments used, quality = 0.96: HB2 PRO 49 + HG12 ILE 51 OK 93 100 - 93 - ~5744=30, 1.8/5762=23...(22) HB VAL 30 + HG12 ILE 51 OK 44 73 - 60 - 5043/3.2=12, ~5051=12...(13) HG3 GLU 87 - HG12 ILE 51 OK 24 85 - 28 - 3.0/5762=5, 5737/1.8=4...(9) HB3 GLN 48 - HG12 ILE 51 OK 14 81 - 17 - 5727/3.0=4, 5737/1.8=3...(6) HG2 GLU 65 - HG12 ILE 51 OK 13 73 - 17 - 5.0/250=4, 5737/1.8=2...(8) HG2 GLU 58 - HG12 ILE 51 lone 4 81 - 5 - 6139/5756=1, 4.1/5719=1 Peak 5737 from cnoeabs.peaks (2.21, 1.43, 27.65 ppm; 4.55 A): 2 out of 12 assignments used, quality = 0.95: HB2 PRO 49 + HG13 ILE 51 OK 91 99 - 92 - ~5744=25, 5621/1.8=20...(30) HB VAL 30 + HG13 ILE 51 OK 46 83 - 56 - 5043/3.2=12, 5740/2.1=11...(15) HG3 GLU 87 - HG13 ILE 51 OK 23 92 - 24 - 5736/1.8=4, 5740/2.1=4...(9) HB3 GLN 48 - HG13 ILE 51 OK 18 89 - 20 - 5740/2.1=3, 5727/3.0=3...(7) HB3 GLN 48 - HD3 LYS 86 OK 16 76 - 21 - 3.0/6666=4, ~6665=4...(7) HG3 GLU 87 - HD3 LYS 86 OK 16 80 - 20 - 5.0/408=13, 6688/5.1=5, ~3588=1 HG2 GLU 65 - HG13 ILE 51 OK 13 83 - 15 - 5740/2.1=3, 5736/1.8=2...(7) HB2 PRO 49 - HD3 LYS 86 lone 7 88 - 7 - 3.8/6680=3, ~5685=2 HG2 GLU 65 - HD3 LYS 86 lone 4 71 - 5 - ~7114=1 HB VAL 30 - HD3 LYS 86 lone 2 71 - 3 - HG2 GLU 58 - HG13 ILE 51 lone 2 71 - 3 - HG2 GLU 58 - HD3 LYS 86 lone 2 59 - 3 - Peak 5738 from cnoeabs.peaks (3.51, 0.87, 14.06 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.76: HA ILE 27 + QD1 ILE 51 OK 76 100 - 77 - 5730/3.2=28, 5726/3.2=18...(20) HB2 ASN 14 - QD1 ILE 51 poor 9 78 - 11 - 5730/3.2=3, 5726/3.2=2 HB3 PHE 83 - QD1 ILE 51 poor 7 57 - 11 - 4.3/5710=2, 5730/3.2=2...(4) Peak 5739 from cnoeabs.peaks (2.77, 0.87, 14.06 ppm; 5.31 A): 4 out of 4 assignments used, quality = 0.90: HB3 PHE 34 + QD1 ILE 51 OK 70 100 - 70 - 2.4/5712=25...(16) HB3 PHE 70 + QD1 ILE 51 OK 42 98 - 43 - 3.0/2522=9, 6149/5761=8...(11) HB2 ASP 32 + QD1 ILE 51 OK 31 92 - 34 - 3.9/5116=7, 5137/5708=6...(13) HB3 ASP 84 + QD1 ILE 51 OK 16 99 - 16 - 4.0/5710=4, ~3613=1...(5) Peak 5740 from cnoeabs.peaks (2.20, 0.87, 14.06 ppm; 3.20 A): 5 out of 8 assignments used, quality = 0.84: HB2 PRO 49 + QD1 ILE 51 OK 56 78 - 72 - 1.8/5744=23, 2.3/5743=13...(22) HB VAL 30 + QD1 ILE 51 OK 44 99 - 44 - 5043/3.2=8, 4.4/5708=7...(16) HG3 GLU 87 + QD1 ILE 51 OK 14 100 - 14 - 3.0/5744=3, 3.0/5743=2...(7) HB2 PHE 88 + QD1 ILE 51 OK 14 81 - 17 - 6714/3.2=5, ~6718=3...(5) HB3 GLN 48 + QD1 ILE 51 OK 13 100 - 13 - 3.8/5610=3, 5732/3.2=2...(6) HG2 GLU 65 - QD1 ILE 51 lone 10 99 - 10 - 5.0/6032=2, 3.0/5742=1 HB3 PRO 92 - QD1 ILE 51 lone 4 60 - 6 - 5043/3.2=1 HG3 PRO 92 - QD1 ILE 51 lone 3 71 - 5 - Peak 5742 from cnoeabs.peaks (1.99, 0.87, 14.06 ppm; 4.01 A): 4 out of 9 assignments used, quality = 0.91: HG2 PRO 49 + QD1 ILE 51 OK 84 96 - 88 - 2.3/5744=29, 1.8/5743=22...(28) HB3 GLU 28 + QD1 ILE 51 OK 24 95 - 25 - 3.0/5724=8, 4998/3.2=3...(9) HB VAL 25 + QD1 ILE 51 OK 21 100 - 21 - 4907/5759=6, ~4902=5...(5) HB2 GLU 65 + QD1 ILE 51 OK 12 93 - 13 - 4.4/6032=3, 3.0/5740=2 HB2 LYS 77 - QD1 ILE 51 poor 10 95 - 10 - 2.9/5744=1, 2.9/5744=1...(4) HG2 GLN 19 - QD1 ILE 51 poor 9 90 - 10 - 5.2/5708=3, 3.5/5710=1...(4) HG3 PRO 74 - QD1 ILE 51 lone 4 99 - 4 - HB3 GLN 36 - QD1 ILE 51 lone 4 73 - 5 - 4.0/5245=1 HB2 GLU 23 - QD1 ILE 51 lone 3 93 - 4 - ~4862=1 Peak 5743 from cnoeabs.peaks (1.91, 0.87, 14.06 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.65: HG3 PRO 49 + QD1 ILE 51 OK 55 65 - 85 - 2.3/5744=29, 1.8/5742=18...(25) HB2 LEU 62 + QD1 ILE 51 OK 13 83 - 15 - ~7093=3, ~5762=2...(5) HB2 GLU 87 + QD1 ILE 51 OK 10 63 - 16 - 1.8/5744=5, 3.0/5740=3...(7) HB2 ARG 57 - QD1 ILE 51 lone 8 87 - 9 - ~5888=6 HB3 ARG 57 - QD1 ILE 51 lone 8 87 - 9 - ~5888=6 Peak 5744 from cnoeabs.peaks (1.57, 0.87, 14.06 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.78: HB3 PRO 49 + QD1 ILE 51 OK 75 99 - 76 - 2.3/5743=14, 1.8/5740=13...(26) HB3 GLU 87 + QD1 ILE 51 OK 12 97 - 12 - 1.8/5743=3, 3.0/5740=2...(4) HG3 LYS 44 - QD1 ILE 51 poor 9 90 - 10 - 3.7/5543=5, 3.0/5746=1 HG3 LYS 77 - QD1 ILE 51 lone 4 100 - 4 - 2.9/5742=1 HG2 LYS 77 - QD1 ILE 51 lone 4 100 - 4 - 2.9/5742=1 HD2 LYS 63 - QD1 ILE 51 lone 2 73 - 3 - HD2 LYS 86 - QD1 ILE 51 lone 1 63 - 1 - Peak 5746 from cnoeabs.peaks (1.67, 0.87, 14.06 ppm; 4.06 A): 8 out of 18 assignments used, quality = 0.94: HG12 ILE 27 + QD1 ILE 51 OK 67 93 - 72 - 3.8/5738=21, ~4967=8...(18) HB2 MET 50 + QD1 ILE 51 OK 39 78 - 50 - 4.6/2521=20, 4.0/5709=14...(9) HB ILE 40 + QD1 ILE 51 OK 36 97 - 37 - 3.2/7162=13, 3.9/5708=7...(11) QB ALA 79 + QD1 ILE 51 OK 22 100 - 22 - 6494/5761=9, 6463/5712=2 HD2 LYS 44 + QD1 ILE 51 OK 14 98 - 14 - 5.4/5543=5, 3.0/5744=3 HD3 LYS 44 + QD1 ILE 51 OK 14 97 - 14 - 5.4/5543=5, 3.0/5744=3 HD3 LYS 94 + QD1 ILE 51 OK 13 100 - 13 - 6.1/6855=3, ~5762=1 HD2 LYS 94 + QD1 ILE 51 OK 13 100 - 13 - 6.1/6855=3, ~5762=1 HG12 ILE 39 - QD1 ILE 51 poor 10 83 - 12 - 4153/5708=2, 3.8/1965=1...(5) HG3 GLN 19 - QD1 ILE 51 poor 8 71 - 11 - 5.2/5708=3, 1.8/5742=2 HG3 ARG 57 - QD1 ILE 51 lone 7 99 - 7 - 3.0/5743=3, 3.0/5743=3 HG2 ARG 57 - QD1 ILE 51 lone 7 97 - 7 - 3.0/5743=3, 3.0/5743=3 HD3 LYS 35 - QD1 ILE 51 lone 7 95 - 7 - 6.3/7035=3 HB3 LYS 61 - QD1 ILE 51 lone 6 93 - 6 - ~7196=1 HD3 LYS 63 - QD1 ILE 51 lone 5 98 - 5 - HD2 LYS 61 - QD1 ILE 51 lone 5 98 - 5 - HD3 LYS 61 - QD1 ILE 51 lone 5 98 - 5 - HD3 LYS 45 - QD1 ILE 51 lone 2 60 - 4 - 5.1/5722=1 Peak 5748 from cnoeabs.peaks (0.93, 1.46, 42.12 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.91: QG2 ILE 27 + HB ILE 51 OK 79 100 - 79 - 4967/2.1=21, 4966=16...(27) QD1 ILE 27 + HB ILE 51 OK 56 83 - 68 - 5752/2.1=14, 4978=11...(18) QD1 ILE 39 - HB ILE 51 lone 6 92 - 6 - 5752/2.1=1 Peak 5749 from cnoeabs.peaks (0.30, 1.46, 42.12 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 68 + HB ILE 51 OK 100 100 - 100 - 6123/2.1=39, 2.1/5750=39...(39) QD1 LEU 21 + HB ILE 51 OK 73 92 - 79 - 5753/2.1=20, 5755/3.0=15...(20) Peak 5750 from cnoeabs.peaks (0.01, 1.46, 42.12 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: QG1 VAL 68 + HB ILE 51 OK 100 100 - 100 - 5754/2.1=47, 5761/3.2=46...(44) Peak 5751 from cnoeabs.peaks (0.61, 0.72, 16.24 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.64: QD2 LEU 53 + QG2 ILE 51 OK 64 99 - 65 - 2.1/7095=19, 5759/3.2=14...(20) Peak 5752 from cnoeabs.peaks (0.93, 0.72, 16.24 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.88: QG2 ILE 27 + QG2 ILE 51 OK 73 100 - 74 - 4967=24, 5748/2.1=15...(22) QD1 ILE 27 + QG2 ILE 51 OK 54 83 - 65 - 2.8/4967=14, 5748/2.1=10...(20) QD1 ILE 39 - QG2 ILE 51 lone 5 92 - 5 - 5748/2.1=1 Peak 5753 from cnoeabs.peaks (0.29, 0.72, 16.24 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 68 + QG2 ILE 51 OK 92 100 - 92 - 6123=38, 2.1/5754=20...(35) QD1 LEU 21 + QG2 ILE 51 OK 63 97 - 65 - 4823=10, 4824/5751=10...(20) Peak 5754 from cnoeabs.peaks (0.01, 0.72, 16.24 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 68 + QG2 ILE 51 OK 99 100 - 99 - 2.1/6123=36, 5761/3.2=36...(31) Peak 5755 from cnoeabs.peaks (0.29, 1.02, 27.65 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 68 + HG12 ILE 51 OK 97 100 - 97 - 2.1/5756=36, 6123/3.2=28...(23) QD1 LEU 21 + HG12 ILE 51 OK 53 97 - 55 - 5753/3.2=14, 5760/2.1=14...(14) Peak 5756 from cnoeabs.peaks (0.01, 1.02, 27.65 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 68 + HG12 ILE 51 OK 97 100 - 98 - 5761/2.1=39, 6134=35...(25) Peak 5757 from cnoeabs.peaks (0.29, 1.43, 27.65 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 68 + HG13 ILE 51 OK 97 100 - 98 - 2.1/5758=30, 6123/3.2=29...(26) QD1 LEU 21 + HG13 ILE 51 OK 54 97 - 56 - 5753/3.2=15, 5760/2.1=14...(9) QG2 VAL 68 - HD3 LYS 86 OK 17 91 - 19 - 2.1/5758=5, 6126/3.0=5...(5) QD1 LEU 21 - HD3 LYS 86 lone 5 87 - 6 - 4075/5.7=2 Peak 5758 from cnoeabs.peaks (0.00, 1.43, 27.65 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 68 + HG13 ILE 51 OK 98 99 - 98 - 5761/2.1=43, 5756/1.8=39...(26) QG1 VAL 68 - HD3 LYS 86 OK 17 90 - 18 - 6135/3.0=5, 2.1/5757=4...(6) Peak 5759 from cnoeabs.peaks (0.60, 0.87, 14.06 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.66: QD2 LEU 53 + QD1 ILE 51 OK 66 99 - 67 - 5751/3.2=33, ~7095=15...(16) Peak 5760 from cnoeabs.peaks (0.30, 0.87, 14.06 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 68 + QD1 ILE 51 OK 92 100 - 92 - 2.1/5761=32, 6123/3.2=22...(25) QD1 LEU 21 + QD1 ILE 51 OK 45 92 - 49 - 5753/3.2=11, 5755/2.1=9...(13) Peak 5761 from cnoeabs.peaks (0.01, 0.87, 14.06 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.93: QG1 VAL 68 + QD1 ILE 51 OK 93 100 - 93 - 5756/2.1=28, 2.1/5760=23...(28) Peak 5762 from cnoeabs.peaks (1.55, 1.02, 27.65 ppm; 4.39 A): 5 out of 9 assignments used, quality = 0.93: HB3 PRO 49 + HG12 ILE 51 OK 84 96 - 88 - 5744/2.1=23, 5629/5.2=17...(23) HB3 GLU 87 + HG12 ILE 51 OK 20 99 - 20 - 5744/2.1=4, ~5743=3...(9) HB3 LYS 63 + HG12 ILE 51 OK 18 78 - 23 - 4.7/5990=7, 3.9/287=6...(8) HB3 LEU 62 + HG12 ILE 51 OK 18 71 - 25 - 4.4/287=5, ~5743=4...(9) HB3 LYS 94 + HG12 ILE 51 OK 12 93 - 13 - 4.0/4213=5, ~3849=2, ~7093=1 HG3 LYS 44 - HG12 ILE 51 lone 9 100 - 9 - 5744/2.1=3, ~5733=1...(4) HG2 LYS 77 - HG12 ILE 51 lone 6 89 - 7 - 2.9/4898=1, ~5744=1...(4) HG3 LYS 77 - HG12 ILE 51 lone 6 87 - 7 - 2.9/4898=1, ~5744=1...(4) HD2 LYS 86 - HG12 ILE 51 lone 3 98 - 3 - Peak 5764 from cnoeabs.peaks (1.88, 1.46, 42.12 ppm; 4.73 A): 2 out of 12 assignments used, quality = 0.92: HB ILE 27 + HB ILE 51 OK 89 95 - 95 - 2.1/5748=28, 3.0/5726=25...(22) HB2 LEU 62 + HB ILE 51 OK 29 95 - 30 - ~7093=5, ~2504=4...(12) HB2 LYS 63 - HB ILE 51 OK 21 100 - 21 - ~5762=3, ~7102=2...(12) HB2 GLU 87 - HB ILE 51 OK 20 100 - 20 - ~5744=3, 3.0/5727=3...(8) HB3 LYS 44 - HB ILE 51 OK 18 90 - 20 - ~5543=6, ~5724=5...(5) HB2 LYS 44 - HB ILE 51 OK 17 85 - 20 - ~5543=6, ~5724=5...(5) HB ILE 16 - HB ILE 51 OK 15 81 - 18 - 4.0/4576=4, 3.2/4601=4...(6) HB ILE 37 - HB ILE 51 OK 13 73 - 18 - 5733/2.1=3, 3.0/5728=2...(9) HB2 ARG 57 - HB ILE 51 OK 11 92 - 12 - ~5888=7, ~5743=2 HB3 ARG 57 - HB ILE 51 OK 11 92 - 12 - ~5888=7, ~5743=2 HB2 PRO 92 - HB ILE 51 lone 9 96 - 9 - ~5043=2, 5733/2.1=2, ~5732=1 HD3 LYS 77 - HB ILE 51 lone 4 96 - 4 - Peak 5769 from cnoeabs.peaks (1.71, 4.93, 51.21 ppm; 3.87 A): 2 out of 15 assignments used, quality = 0.66: HB2 LEU 53 + HA ASN 52 OK 61 96 - 64 - 4.0/4216=28, 5795=13...(9) HG12 ILE 39 + HA ASN 52 OK 12 90 - 13 - 3.2/5375=5, ~5373=3...(4) HD3 LYS 35 - HA ASN 52 lone 6 76 - 7 - ~1834=2, 1844/2.9=2...(4) HB ILE 80 - HA ASN 52 lone 5 96 - 5 - 833/3.6=2 HB ILE 40 - HA ASN 52 lone 5 68 - 7 - 3.0/5425=2, 3.0/5420=2 HD2 LYS 45 - HA ASN 52 lone 2 100 - 2 - HD3 LYS 45 - HA ASN 52 lone 2 99 - 2 - HG2 ARG 57 - HA ASN 52 lone 1 68 - 2 - 4.9/4216=1 HD2 LYS 61 - HA ASN 52 lone 1 65 - 2 - HD3 LYS 61 - HA ASN 52 lone 1 65 - 2 - HG3 ARG 57 - HA ASN 52 lone 1 63 - 2 - 4.9/4216=1 HD3 LYS 63 - HA ASN 52 lone 1 65 - 2 - HD2 LYS 77 - HA ASN 52 lone 1 99 - 1 - HD3 LYS 44 - HA ASN 52 lone 1 68 - 1 - HD2 LYS 44 - HA ASN 52 lone 1 65 - 1 - Peak 5771 from cnoeabs.peaks (1.45, 2.59, 40.23 ppm; 4.08 A): 4 out of 24 assignments used, quality = 0.95: QG2 THR 67 + HB2 ASN 52 OK 64 100 - 64 - 6090=22, 6090/1.8=17...(12) QG2 THR 67 + HB3 ASN 52 OK 63 100 - 64 - 6090=22, 6090/1.8=17...(12) HB ILE 51 + HB2 ASN 52 OK 42 99 - 42 - 4.4/827=13, 2.1/5731=10...(7) HB ILE 51 + HB3 ASN 52 OK 42 99 - 42 - 4.4/827=13, 2.1/5731=10...(7) HG13 ILE 51 - HB2 ASN 52 OK 29 89 - 32 - 3.2/5731=9, 233/4.0=7...(5) HG13 ILE 51 - HB3 ASN 52 OK 28 88 - 32 - 3.2/5731=9, 233/4.0=7...(5) HG3 LYS 94 - HB2 ASN 52 lone 6 98 - 6 - 3884/4.0=3, ~6867=1 HG3 LYS 94 - HB3 ASN 52 lone 6 98 - 6 - 3884/4.0=3, ~6867=1 HG12 ILE 80 - HB2 ASN 52 lone 6 100 - 6 - HG12 ILE 80 - HB3 ASN 52 lone 6 100 - 6 - QB ALA 31 - HB2 ASN 52 lone 6 95 - 6 - 230/4.0=2 QB ALA 31 - HB3 ASN 52 lone 5 94 - 6 - 230/4.0=2 HG3 LYS 63 - HB2 ASN 52 lone 4 89 - 4 - 4707/4700=1 HG2 LYS 63 - HB2 ASN 52 lone 4 89 - 4 - 4707/4700=1 HG3 LYS 63 - HB3 ASN 52 lone 4 88 - 4 - 4707/4700=1 HG2 LYS 63 - HB3 ASN 52 lone 4 88 - 4 - 4707/4700=1 HB2 LYS 41 - HB2 ASN 52 lone 3 85 - 4 - HB2 LYS 41 - HB3 ASN 52 lone 3 84 - 4 - HG3 LYS 61 - HB2 ASN 52 lone 1 60 - 2 - HG2 LYS 44 - HB2 ASN 52 lone 1 78 - 2 - HG2 LYS 44 - HB3 ASN 52 lone 1 78 - 2 - HG3 LYS 61 - HB3 ASN 52 lone 1 59 - 2 - HD3 LYS 86 - HB2 ASN 52 lone 1 60 - 2 - HD3 LYS 86 - HB3 ASN 52 lone 1 59 - 2 - Peak 5772 from cnoeabs.peaks (0.96, 2.59, 40.23 ppm; 4.45 A): 3 out of 8 assignments used, quality = 0.96: QB ALA 66 + HB2 ASN 52 OK 72 100 - 73 - 2.1/5776=18, 3.5/7094=16...(13) QB ALA 66 + HB3 ASN 52 OK 72 100 - 72 - 2.1/5776=17, 3.5/6084=16...(13) QD1 ILE 27 + HB2 ASN 52 OK 44 98 - 45 - 4935/4.3=21, 4954/3.0=17...(7) QD1 ILE 27 - HB3 ASN 52 OK 44 98 - 45 - 4935/4.3=21, 4954/3.0=17...(7) QG1 VAL 95 - HB2 ASN 52 OK 14 76 - 18 - 5768/4.0=4, 5816/4.3=4...(8) QG1 VAL 95 - HB3 ASN 52 OK 14 75 - 18 - 5768/4.0=4, 5816/4.3=4...(7) QG2 ILE 27 - HB2 ASN 52 poor 9 60 - 15 - ~4954=10, 4967/5731=2, ~5420=1 QG2 ILE 27 - HB3 ASN 52 poor 9 59 - 15 - ~4954=10, 4967/5731=2, ~5420=1 Peak 5773 from cnoeabs.peaks (0.73, 2.59, 40.23 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.92: QG2 ILE 51 + HB2 ASN 52 OK 68 96 - 71 - 231/4.0=24, 5706/4.3=19...(12) QG2 ILE 51 + HB3 ASN 52 OK 68 95 - 71 - 231/4.0=24, 5706/4.3=19...(12) QG2 ILE 93 + HB2 ASN 52 OK 23 98 - 23 - 231/4.0=9, ~6828=3...(7) QG2 ILE 93 - HB3 ASN 52 OK 23 98 - 23 - 231/4.0=9, ~6828=3...(7) QD1 ILE 40 - HB2 ASN 52 OK 14 85 - 16 - 5430/3.0=2, ~5425=2...(7) QD1 ILE 40 - HB3 ASN 52 OK 13 84 - 16 - 5430/3.0=2, ~5425=2...(7) Peak 5776 from cnoeabs.peaks (5.58, 2.59, 40.23 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.94: HA ALA 66 + HB2 ASN 52 OK 76 97 - 78 - 5775/4.0=24, 6024=19...(12) HA ALA 66 + HB3 ASN 52 OK 76 97 - 78 - 5775/4.0=24, 6024=19...(12) Peak 5777 from cnoeabs.peaks (6.85, 2.60, 40.23 ppm; 3.86 A): 2 out of 8 assignments used, quality = 0.86: QE TYR 54 + HB3 ASN 52 OK 63 100 - 63 - 4700=23, 4700/1.8=20...(10) QE TYR 54 + HB2 ASN 52 OK 63 100 - 63 - 4700=23, 4700/1.8=20...(10) H VAL 25 - HB3 ASN 52 lone 9 99 - 9 - 73/3.0=4, 72/4.0=2, 6061/6084=1 H VAL 25 - HB2 ASN 52 lone 9 98 - 9 - 73/3.0=4, 72/4.0=2, 6061/6084=1 HZ PHE 70 - HB3 ASN 52 lone 1 65 - 2 - HZ PHE 70 - HB2 ASN 52 lone 1 65 - 2 - QE PHE 34 - HB3 ASN 52 lone 1 60 - 2 - QE PHE 34 - HB2 ASN 52 lone 1 59 - 2 - Peak 5778 from cnoeabs.peaks (7.16, 2.60, 40.23 ppm; 4.76 A): 2 out of 10 assignments used, quality = 0.93: QD TYR 54 + HB3 ASN 52 OK 73 97 - 75 - 2.2/4700=22, 4701=20...(10) QD TYR 54 + HB2 ASN 52 OK 73 97 - 75 - 2.2/4700=22, 4701=21...(10) H GLU 65 - HB3 ASN 52 lone 5 87 - 5 - 6044/5776=2 H GLU 65 - HB2 ASN 52 lone 5 86 - 5 - 6044/5776=2 QE PHE 97 - HB3 ASN 52 lone 3 100 - 3 - QE PHE 97 - HB2 ASN 52 lone 3 100 - 3 - HZ PHE 97 - HB3 ASN 52 lone 3 96 - 3 - HZ PHE 97 - HB2 ASN 52 lone 3 95 - 3 - HH2 TRP 82 - HB3 ASN 52 lone 1 63 - 1 - HH2 TRP 82 - HB2 ASN 52 lone 1 62 - 1 - Peak 5779 from cnoeabs.peaks (7.68, 2.60, 40.23 ppm; 5.12 A): 0 out of 6 assignments used, low quality = 0.21: H SER 69 - HB2 ASN 52 OK 11 100 - 11 - 6065/6090=3, 6198/5731=2...(4) H SER 69 - HB3 ASN 52 OK 11 100 - 11 - 6065/6090=3, 6198/5731=2...(4) H GLN 48 - HB3 ASN 52 lone 3 83 - 4 - H GLN 48 - HB2 ASN 52 lone 3 82 - 4 - HD21 ASN 43 - HB3 ASN 52 lone 2 68 - 3 - HD21 ASN 43 - HB2 ASN 52 lone 2 68 - 3 - Peak 5780 from cnoeabs.peaks (8.44, 0.61, 23.44 ppm; 4.63 A): 6 out of 8 assignments used, quality = 0.94: H THR 67 + QD2 LEU 53 OK 79 90 - 87 - 6104=38, 3.6/6021=34...(18) H LEU 21 + QD2 LEU 53 OK 39 71 - 56 - 4.7/4824=27, 4.7/5824=15...(9) H ILE 93 + QD2 LEU 53 OK 29 95 - 31 - 7206/4.0=5, 4.7/5781=5...(12) H GLY 60 + QD2 LEU 53 OK 14 97 - 14 - 5927/4.6=3, 5705/5751=3...(5) H ASP 71 + QD2 LEU 53 OK 13 99 - 13 - 5705/5751=2, 6256/2.1=2...(4) H THR 15 + QD2 LEU 53 OK 12 96 - 12 - 4.6/5803=2, 4.0/5813=2 H GLY 90 - QD2 LEU 53 lone 5 98 - 5 - 4882/4910=1 H THR 42 - QD2 LEU 53 lone 4 63 - 6 - Peak 5781 from cnoeabs.peaks (8.36, 0.61, 23.44 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.98: H ASN 52 + QD2 LEU 53 OK 91 97 - 94 - 5765=48, 4.1/5751=40...(18) H LYS 35 + QD2 LEU 53 OK 51 97 - 52 - 5226/2.1=11, ~5798=7...(15) H LYS 94 + QD2 LEU 53 OK 44 100 - 44 - 433/5751=7, 436/2.1=7...(14) H GLY 64 - QD2 LEU 53 OK 20 71 - 28 - 4.6/5785=5, 4881/4910=4...(7) Peak 5782 from cnoeabs.peaks (7.97, 0.61, 23.44 ppm; 4.82 A): 3 out of 7 assignments used, quality = 0.93: H VAL 30 + QD2 LEU 53 OK 85 100 - 85 - 5038=49, 3.9/5052=24...(15) H PHE 34 + QD2 LEU 53 OK 38 87 - 44 - 5193/2.1=11, 4.6/5781=6...(15) H GLY 22 + QD2 LEU 53 OK 23 63 - 37 - 4.6/5813=7, 4.6/5813=7...(11) H ASP 81 - QD2 LEU 53 OK 15 96 - 16 - 4.4/5821=2, 371/5824=2...(7) H LYS 63 - QD2 LEU 53 OK 13 63 - 21 - 287/5962=6, 4.7/5781=2...(6) H ASP 84 - QD2 LEU 53 OK 11 89 - 13 - 5704/5751=2, 5710/5759=2...(5) HE21 GLN 19 - QD2 LEU 53 lone 5 85 - 5 - 5704/5751=1 Peak 5784 from cnoeabs.peaks (7.30, 0.61, 23.44 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.94: H THR 26 + QD2 LEU 53 OK 94 100 - 94 - 4.3/4910=42, 5787/2.1=39...(15) Peak 5785 from cnoeabs.peaks (7.17, 0.61, 23.44 ppm; 4.97 A): 4 out of 4 assignments used, quality = 0.86: QD TYR 54 + QD2 LEU 53 OK 73 100 - 73 - 4.6/246=28, 4698/6021=19...(11) H GLU 65 + QD2 LEU 53 OK 28 76 - 37 - 4.6/5792=12, 4784/4824=5...(9) QE PHE 97 + QD2 LEU 53 OK 18 100 - 18 - 4784/4824=4, 4768/5824=2...(6) HZ PHE 97 + QD2 LEU 53 OK 12 89 - 13 - 4784/4824=2, 4768/5824=1...(4) Peak 5786 from cnoeabs.peaks (6.86, 0.61, 23.44 ppm; 5.10 A): 3 out of 3 assignments used, quality = 0.96: H VAL 25 + QD2 LEU 53 OK 82 95 - 87 - 3.9/4910=42, 3.9/5112=26...(15) QE TYR 54 + QD2 LEU 53 OK 67 99 - 67 - 2.2/5785=22, 6.5/246=19...(14) QE PHE 34 + QD2 LEU 53 OK 33 73 - 45 - ~4829=6, 4833/2.1=6...(17) Peak 5787 from cnoeabs.peaks (7.30, 0.77, 25.50 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.89: H THR 26 + QD1 LEU 53 OK 89 100 - 89 - 5784/2.1=39, 4.6/5791=35...(14) Peak 5788 from cnoeabs.peaks (6.84, 0.77, 25.50 ppm; 5.51 A): 3 out of 3 assignments used, quality = 0.88: H VAL 25 + QD1 LEU 53 OK 72 100 - 73 - 4.6/5787=28, 4.0/5808=20...(13) QE TYR 54 + QD1 LEU 53 OK 44 97 - 46 - ~5785=18, 6.5/4224=13...(6) HZ PHE 70 + QD1 LEU 53 OK 22 93 - 24 - 4780/6132=3, 78/5787=2...(10) Peak 5791 from cnoeabs.peaks (9.07, 0.77, 25.50 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.87: H ILE 27 + QD1 LEU 53 OK 87 100 - 87 - 4955=32, 3.0/5810=24...(14) Peak 5792 from cnoeabs.peaks (8.94, 0.61, 23.44 ppm; 5.14 A): 3 out of 5 assignments used, quality = 0.91: H ALA 66 + QD2 LEU 53 OK 78 90 - 87 - 3.0/6021=43, 2.9/6028=38...(16) H SER 96 + QD2 LEU 53 OK 38 99 - 38 - 4.2/6028=9, 6946/4824=6...(13) H VAL 18 + QD2 LEU 53 OK 33 100 - 33 - 4708/6028=7, 4707/4824=7...(12) H ASP 56 - QD2 LEU 53 lone 8 99 - 8 - 5887/5052=1 H PHE 70 - QD2 LEU 53 lone 6 68 - 9 - 4.6/5780=2 Peak 5793 from cnoeabs.peaks (9.07, 0.61, 23.44 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.96: H ILE 27 + QD2 LEU 53 OK 96 100 - 97 - 5791/2.1=48, 3.0/4959=40...(14) Peak 5795 from cnoeabs.peaks (4.93, 1.72, 42.05 ppm; 4.77 A): 4 out of 4 assignments used, quality = 0.93: HA ASN 52 + HB2 LEU 53 OK 82 100 - 82 - 4216/4.0=39, 5769=28...(10) HA LYS 35 + HB2 LEU 53 OK 39 90 - 43 - 5798/3.0=9, 5796/1.8=7...(11) HA ASN 24 + HB2 LEU 53 OK 28 90 - 31 - 5799/3.1=7, 5801/3.1=6...(7) HA VAL 18 + HB2 LEU 53 OK 10 63 - 16 - ~5792=3, 5799/3.1=3...(6) Peak 5796 from cnoeabs.peaks (4.93, 1.39, 42.05 ppm; 5.19 A): 4 out of 5 assignments used, quality = 0.95: HA ASN 52 + HB3 LEU 53 OK 84 100 - 84 - 4216/4.0=43, 5769/1.8=30...(9) HA LYS 35 + HB3 LEU 53 OK 39 81 - 48 - 5795/1.8=11, 5798/3.0=10...(12) HA ASN 24 + HB3 LEU 53 OK 35 97 - 37 - 5801/3.1=8, 5799/3.1=8...(8) HA VAL 95 + HB3 LEU 53 OK 30 68 - 43 - 3.2/5820=8, 5801/3.1=7...(13) HA VAL 18 - HB3 LEU 53 OK 15 76 - 19 - ~5792=4, 5801/3.1=4...(6) Peak 5798 from cnoeabs.peaks (4.93, 1.50, 26.43 ppm; 4.88 A): 3 out of 4 assignments used, quality = 0.91: HA ASN 52 + HG LEU 53 OK 78 98 - 80 - 3.6/835=33, 5769/3.0=24...(9) HA LYS 35 + HG LEU 53 OK 44 96 - 46 - 5795/3.0=8, 5227/2.1=8...(12) HA ASN 24 + HG LEU 53 OK 24 83 - 30 - 5799/2.1=8, 5801/2.1=6...(7) HA ASN 14 - HG LEU 53 lone 3 63 - 5 - ~5803=2, ~5810=1 Peak 5799 from cnoeabs.peaks (4.93, 0.61, 23.44 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.95: HA ASN 52 + QD2 LEU 53 OK 85 100 - 85 - 3.6/836=35, 2.9/5765=33...(12) HA ASN 24 + QD2 LEU 53 OK 48 97 - 50 - 3.6/5786=12...(13) HA LYS 35 + QD2 LEU 53 OK 41 81 - 51 - 5798/2.1=10, 5795/3.1=8...(16) HA VAL 95 - QD2 LEU 53 OK 31 68 - 45 - 3.2/6028=10, 5801/2.1=7...(15) HA VAL 18 - QD2 LEU 53 OK 20 76 - 26 - 3.0/5792=6, 6071/6104=4...(10) Peak 5800 from cnoeabs.peaks (5.58, 0.61, 23.44 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.93: HA ALA 66 + QD2 LEU 53 OK 93 100 - 93 - 6021=49, 2.1/6028=36...(17) Peak 5801 from cnoeabs.peaks (4.94, 0.77, 25.50 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.94: HA ASN 52 + QD1 LEU 53 OK 79 98 - 81 - 4216/4.6=35, ~5765=24...(10) HA ASN 24 + QD1 LEU 53 OK 42 100 - 43 - 3.6/5788=14, 5799/2.1=8...(10) HA VAL 95 + QD1 LEU 53 OK 38 89 - 43 - 3.2/5826=9, ~6028=7...(12) HA VAL 18 + QD1 LEU 53 OK 19 93 - 20 - ~5792=5, 5799/2.1=4...(6) Peak 5802 from cnoeabs.peaks (5.45, 0.77, 25.50 ppm; 5.82 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5803 from cnoeabs.peaks (3.52, 0.61, 23.44 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.95: HA ILE 27 + QD2 LEU 53 OK 95 100 - 96 - 4959=47, 5810/2.1=28...(20) HB2 ASN 14 - QD2 LEU 53 poor 7 65 - 11 - 5810/2.1=2, 5730/5751=1...(5) Peak 5804 from cnoeabs.peaks (2.19, 0.61, 23.44 ppm; 4.84 A): 4 out of 8 assignments used, quality = 0.94: HB VAL 30 + QD2 LEU 53 OK 83 100 - 83 - 2.1/5052=31, 4.0/5038=28...(18) HG2 GLU 65 + QD2 LEU 53 OK 31 100 - 31 - 5.0/5792=10, 4.8/5785=5...(9) HB2 PRO 49 + QD2 LEU 53 OK 27 65 - 41 - 5740/5759=7, 2.3/5805=6...(12) HB2 PHE 88 + QD2 LEU 53 OK 25 90 - 28 - 6714/5751=6, 6720/5824=5...(10) HB3 GLN 48 - QD2 LEU 53 OK 24 100 - 24 - 5613/4980=6, 5613/4968=5...(7) HB3 PRO 92 - QD2 LEU 53 OK 15 73 - 20 - 4.1/5780=4, 5809/2.1=3...(7) HG3 PRO 92 - QD2 LEU 53 OK 13 83 - 16 - 5809/2.1=2, 2.3/5806=2...(6) HG3 GLU 87 - QD2 LEU 53 OK 12 100 - 11 - 5732/5751=2, 5740/5759=2...(4) Peak 5805 from cnoeabs.peaks (2.00, 0.61, 23.44 ppm; 4.72 A): 2 out of 11 assignments used, quality = 0.94: HB VAL 25 + QD2 LEU 53 OK 91 99 - 92 - 2.1/4910=49, 4907=34...(17) HG2 PRO 49 + QD2 LEU 53 OK 35 100 - 35 - 5642/4968=8, 5644/2.1=8...(8) HB2 GLU 65 - QD2 LEU 53 OK 23 73 - 32 - 4.4/5792=11, 3.7/5785=6...(9) HB2 LYS 77 - QD2 LEU 53 OK 18 76 - 24 - 4907=8, 5808/2.1=3...(7) HB3 GLU 28 - QD2 LEU 53 OK 10 76 - 13 - 4983/4980=3, 4999/4968=2...(5) HB2 GLU 23 - QD2 LEU 53 OK 10 100 - 10 - 5808/2.1=1, 672/5786=1...(4) HG2 PRO 92 - QD2 LEU 53 poor 10 71 - 13 - 2.3/5804=2, 2.3/5806=2...(6) HG3 PRO 74 - QD2 LEU 53 lone 5 89 - 6 - HB3 GLN 36 - QD2 LEU 53 lone 5 93 - 5 - HG2 GLN 19 - QD2 LEU 53 lone 5 68 - 7 - 4810/4824=1 HB3 MET 50 - QD2 LEU 53 lone 3 65 - 5 - 5045/5052=1, 4970/4968=1 Peak 5806 from cnoeabs.peaks (1.85, 0.61, 23.44 ppm; 4.93 A): 4 out of 12 assignments used, quality = 0.94: HB ILE 27 + QD2 LEU 53 OK 83 85 - 98 - 3.0/4959=39, 3.2/4980=37...(18) HB ILE 16 + QD2 LEU 53 OK 38 97 - 40 - 3.2/5823=7, ~5811=5...(16) HB ILE 37 + QD2 LEU 53 OK 25 99 - 25 - ~7159=3, 5807/2.1=3...(11) HB3 GLU 65 + QD2 LEU 53 OK 24 76 - 31 - 4.4/5792=12, 3.7/5785=6...(7) HB2 PRO 92 - QD2 LEU 53 OK 15 83 - 18 - 4.1/5780=4, 1.8/5804=3...(7) HD3 LYS 77 - QD2 LEU 53 OK 12 83 - 14 - 3.7/4907=5, 6426/5824=2...(4) HB2 LYS 94 - QD2 LEU 53 OK 11 71 - 15 - 4.0/5781=6, ~3848=1...(4) HB2 PRO 74 - QD2 LEU 53 lone 5 97 - 5 - 4704/5785=1 HB2 LYS 61 - QD2 LEU 53 lone 4 98 - 4 - HB2 LYS 44 - QD2 LEU 53 lone 4 95 - 4 - 5733/5751=1 HB3 LYS 44 - QD2 LEU 53 lone 4 90 - 4 - 5733/5751=1 HB ILE 39 - QD2 LEU 53 lone 3 71 - 4 - Peak 5807 from cnoeabs.peaks (1.86, 0.77, 25.50 ppm; 4.33 A): 2 out of 14 assignments used, quality = 0.98: HB ILE 27 + QD1 LEU 53 OK 96 100 - 96 - 3.0/5810=29, 4.0/5791=28...(19) HB2 LEU 62 + QD1 LEU 53 OK 51 65 - 78 - 3.1/7099=30, ~5962=20...(15) HB ILE 16 - QD1 LEU 53 OK 30 99 - 31 - 3.0/5811=6, 3.2/5827=6...(12) HB ILE 37 - QD1 LEU 53 OK 19 97 - 19 - 5806/2.1=2, 3.0/5812=2...(9) HB2 PRO 92 - QD1 LEU 53 OK 12 100 - 12 - 1.8/5809=2, 2.3/5809=2...(5) HB2 GLU 87 - QD1 LEU 53 lone 6 85 - 6 - 3.0/2582=1, 3.0/5809=1 HD3 LYS 77 - QD1 LEU 53 lone 5 100 - 5 - 3.7/5808=2, 5806/2.1=1 HB2 LYS 63 - QD1 LEU 53 lone 3 90 - 3 - HB2 ARG 57 - QD1 LEU 53 lone 3 60 - 5 - 4.4/2581=3 HB3 ARG 57 - QD1 LEU 53 lone 3 60 - 5 - 4.4/2581=3 HB3 LYS 44 - QD1 LEU 53 lone 2 100 - 2 - HB2 LYS 44 - QD1 LEU 53 lone 2 100 - 2 - HB2 PRO 74 - QD1 LEU 53 lone 2 63 - 3 - HB2 LYS 61 - QD1 LEU 53 lone 1 65 - 2 - Peak 5808 from cnoeabs.peaks (1.99, 0.77, 25.50 ppm; 4.60 A): 4 out of 9 assignments used, quality = 0.90: HB VAL 25 + QD1 LEU 53 OK 83 99 - 83 - ~4910=34, 4907/2.1=27...(13) HG2 PRO 49 + QD1 LEU 53 OK 21 90 - 24 - 5644=7, 5805/2.1=5...(6) HB2 LYS 77 + QD1 LEU 53 OK 13 98 - 13 - 4907/2.1=6, 4087/5787=1 HB2 GLU 65 + QD1 LEU 53 OK 13 97 - 14 - 5805/2.1=3, ~5804=3...(5) HB3 GLU 28 - QD1 LEU 53 lone 7 98 - 8 - 5805/2.1=1, 4983/4979=1 HB2 GLU 23 - QD1 LEU 53 lone 6 87 - 7 - 5805/2.1=1, 672/5788=1 HG3 PRO 74 - QD1 LEU 53 lone 4 100 - 4 - HG2 GLN 19 - QD1 LEU 53 lone 3 96 - 3 - HB3 GLN 36 - QD1 LEU 53 lone 3 63 - 4 - Peak 5809 from cnoeabs.peaks (2.19, 0.77, 25.50 ppm; 5.26 A): 7 out of 9 assignments used, quality = 0.91: HB VAL 30 + QD1 LEU 53 OK 73 100 - 73 - ~5052=25, 5804/2.1=15...(15) HB3 LYS 35 + QD1 LEU 53 OK 23 60 - 39 - ~5798=8, 3.8/5226=8...(9) HG2 GLU 65 + QD1 LEU 53 OK 17 100 - 18 - 5804/2.1=6, 3.0/5808=3...(4) HB3 PRO 92 + QD1 LEU 53 OK 14 83 - 17 - 5804/2.1=3, 4.1/1029=2...(7) HB2 PHE 88 + QD1 LEU 53 OK 14 96 - 15 - 5804/2.1=5, 2.5/6722=4 HB3 GLN 48 + QD1 LEU 53 OK 14 99 - 14 - 5804/2.1=4, 3.8/4224=3...(4) HG3 PRO 92 + QD1 LEU 53 OK 13 90 - 15 - 5804/2.1=3, 2.3/5807=2...(6) HG3 GLU 87 - QD1 LEU 53 lone 8 99 - 8 - 5804/2.1=2, 3.8/2582=1 HB2 PRO 73 - QD1 LEU 53 lone 2 68 - 2 - Peak 5810 from cnoeabs.peaks (3.51, 0.77, 25.50 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.85: HA ILE 27 + QD1 LEU 53 OK 83 100 - 83 - 4959/2.1=32, 3.0/5791=28...(16) HB3 PHE 83 + QD1 LEU 53 OK 14 71 - 20 - 1.8/6614=5, 2.4/4864=3...(6) HB2 ASN 14 - QD1 LEU 53 lone 5 89 - 5 - 5803/2.1=2 Peak 5811 from cnoeabs.peaks (1.27, 0.77, 25.50 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.73: QG2 THR 26 + QD1 LEU 53 OK 60 100 - 60 - 4.0/5791=27, 4.0/5787=19...(9) HG12 ILE 16 + QD1 LEU 53 OK 23 85 - 27 - 2.1/5827=7, ~5823=5...(8) HG3 LYS 35 + QD1 LEU 53 OK 15 100 - 15 - 4.8/5226=4, 3.9/5227=3...(4) QB ALA 98 - QD1 LEU 53 lone 8 100 - 8 - 6989/5787=2, 86/5791=1 HG3 LYS 86 - QD1 LEU 53 lone 5 81 - 6 - 4.7/6658=1 HG13 ILE 39 - QD1 LEU 53 lone 3 92 - 3 - Peak 5812 from cnoeabs.peaks (1.16, 0.77, 25.50 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.97: HG13 ILE 27 + QD1 LEU 53 OK 89 100 - 89 - 4975=30, 4976/2.1=24...(16) HB2 LEU 21 + QD1 LEU 53 OK 50 100 - 50 - ~4824=16, 3.1/5827=12...(9) HB3 LEU 21 + QD1 LEU 53 OK 50 99 - 50 - ~4824=16, 3.1/5827=12...(9) HG13 ILE 37 - QD1 LEU 53 OK 13 87 - 14 - 3.0/5807=2, 5813/2.1=2...(5) QG2 THR 15 - QD1 LEU 53 lone 8 100 - 8 - 5813/2.1=2, 684/5791=1 Peak 5813 from cnoeabs.peaks (1.16, 0.61, 23.44 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: HG13 ILE 27 + QD2 LEU 53 OK 96 100 - 96 - 4976=39, 2.1/4980=38...(20) HB2 LEU 21 + QD2 LEU 53 OK 72 100 - 72 - 3.1/4824=36, 3.1/5824=20...(15) HB3 LEU 21 + QD2 LEU 53 OK 72 99 - 72 - 3.1/4824=36, 3.1/5824=20...(15) HG13 ILE 37 - QD2 LEU 53 OK 18 87 - 20 - 3.0/5806=3, 5812/2.1=3...(9) QG2 THR 15 - QD2 LEU 53 OK 16 100 - 16 - 6099/6104=3, 5812/2.1=2...(6) Peak 5814 from cnoeabs.peaks (0.94, 1.50, 26.43 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.99: QD1 ILE 27 + HG LEU 53 OK 83 100 - 84 - 4980/2.1=29, ~4976=17...(18) QG2 ILE 27 + HG LEU 53 OK 80 92 - 87 - 4968/2.1=27, ~4980=16...(20) QB ALA 66 + HG LEU 53 OK 59 89 - 67 - 6028/2.1=31, ~6021=20...(8) QD1 ILE 39 - HG LEU 53 lone 1 57 - 2 - Peak 5817 from cnoeabs.peaks (0.84, 1.72, 42.05 ppm; 3.46 A): 4 out of 8 assignments used, quality = 0.95: QD2 LEU 62 + HB2 LEU 53 OK 75 100 - 75 - 5956/1.8=17, 7100/3.1=15...(15) QG2 VAL 30 + HB2 LEU 53 OK 44 99 - 45 - 5052/3.1=17, 5819/1.8=6...(12) QG1 VAL 30 + HB2 LEU 53 OK 40 100 - 40 - ~5052=8, 5112/3.1=7...(12) QG2 VAL 25 + HB2 LEU 53 OK 36 78 - 45 - ~4910=13, 5112/3.1=12...(9) QG2 ILE 80 - HB2 LEU 53 OK 22 100 - 22 - 7126/3.0=4, 3.0/3389=3...(10) QG2 ILE 16 - HB2 LEU 53 OK 14 97 - 15 - 5819/1.8=2, 5825/3.1=2...(8) QG2 ILE 37 - HB2 LEU 53 OK 13 98 - 12 - 7159/1.8=4, 5825/3.1=1...(5) QG2 ILE 40 - HB2 LEU 53 lone 3 73 - 4 - 2024/3.1=1 Peak 5818 from cnoeabs.peaks (0.99, 1.72, 42.05 ppm; 4.02 A): 4 out of 4 assignments used, quality = 0.95: QD1 LEU 62 + HB2 LEU 53 OK 79 97 - 82 - 5962/3.1=29, 7099/3.1=27...(16) QB ALA 66 + HB2 LEU 53 OK 48 63 - 77 - ~7150=20, 6028/3.1=17...(11) QG1 VAL 95 + HB2 LEU 53 OK 35 99 - 35 - 5826/3.1=7, 5820/1.8=7...(11) HG12 ILE 51 + HB2 LEU 53 OK 28 60 - 47 - ~5759=16, ~5751=13...(9) Peak 5819 from cnoeabs.peaks (0.84, 1.39, 42.05 ppm; 3.38 A): 4 out of 10 assignments used, quality = 0.94: QD2 LEU 62 + HB3 LEU 53 OK 73 99 - 74 - 5956=21, 7100/3.1=15...(14) QG2 VAL 30 + HB3 LEU 53 OK 46 100 - 46 - 5052/3.1=16, 5956=6...(12) QG1 VAL 30 + HB3 LEU 53 OK 39 100 - 39 - ~5052=8, 5817/1.8=6...(12) QG2 VAL 25 + HB3 LEU 53 OK 28 65 - 43 - ~4910=13, 5112/3.1=9...(9) QD1 ILE 51 - HB3 LEU 53 OK 22 65 - 34 - 5759/3.1=12, ~5751=8...(8) QG2 ILE 80 - HB3 LEU 53 OK 19 100 - 19 - 7126/3.0=4, 5817/1.8=3...(9) QG2 ILE 37 - HB3 LEU 53 OK 17 100 - 16 - 7159=4, 3.3/7158=2...(6) QG2 ILE 16 - HB3 LEU 53 OK 15 92 - 16 - 7159=2, 5817/1.8=2...(9) QG1 VAL 18 - HB3 LEU 53 lone 4 71 - 6 - QG2 ILE 40 - HB3 LEU 53 lone 2 60 - 4 - Peak 5820 from cnoeabs.peaks (0.99, 1.39, 42.05 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.94: QD1 LEU 62 + HB3 LEU 53 OK 82 97 - 85 - 5962/3.1=28, 7099/3.1=26...(16) QB ALA 66 + HB3 LEU 53 OK 48 63 - 76 - ~7150=19, 6028/3.1=17...(11) QG1 VAL 95 + HB3 LEU 53 OK 34 99 - 34 - 5826/3.1=7, 5818/1.8=7...(11) HG12 ILE 51 - HB3 LEU 53 OK 28 60 - 47 - ~5759=16, ~5751=12...(9) Peak 5821 from cnoeabs.peaks (0.84, 0.61, 23.44 ppm; 2.66 A): 5 out of 10 assignments used, quality = 0.94: QD2 LEU 62 + QD2 LEU 53 OK 60 99 - 61 - 2.1/5962=14, 7100/2.1=13...(15) QG2 VAL 30 + QD2 LEU 53 OK 51 100 - 51 - 5052=17, 3.9/5038=7...(17) QG1 VAL 30 + QD2 LEU 53 OK 43 100 - 43 - 2.1/5052=13, 3.9/5038=7...(15) QG2 VAL 25 + QD2 LEU 53 OK 33 65 - 50 - 2.1/4910=23, 5112=8...(12) QD1 ILE 51 + QD2 LEU 53 OK 25 65 - 38 - 3.2/5751=16, 5759=8...(9) QG2 ILE 80 - QD2 LEU 53 OK 14 100 - 14 - 3.0/5824=3, 7126/4.0=2...(5) QG2 ILE 16 - QD2 LEU 53 OK 13 92 - 15 - 3.1/5823=2, 5825/2.1=2...(6) QG2 ILE 37 - QD2 LEU 53 lone 9 100 - 9 - 7159/3.1=2, 5825/2.1=1 QG1 VAL 18 - QD2 LEU 53 poor 7 71 - 10 - 4716/4824=2, 4717/5824=1 QG2 ILE 40 - QD2 LEU 53 lone 2 60 - 4 - Peak 5822 from cnoeabs.peaks (0.96, 0.61, 23.44 ppm; 2.79 A): 3 out of 4 assignments used, quality = 0.94: QB ALA 66 + QD2 LEU 53 OK 69 100 - 69 - 6028=38, 2.1/6021=16...(14) QD1 ILE 27 + QD2 LEU 53 OK 67 99 - 68 - 4980=14, 2.8/4968=10...(19) QG2 ILE 27 + QD2 LEU 53 OK 40 63 - 63 - 3.2/4959=13, 2.8/4980=12...(19) QG1 VAL 95 - QD2 LEU 53 OK 22 73 - 30 - 6028=11, 4821/4824=2...(9) Peak 5823 from cnoeabs.peaks (0.27, 0.61, 23.44 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.90: QD1 LEU 21 + QD2 LEU 53 OK 80 99 - 81 - 4824=45, 2.1/5824=15...(22) QG2 VAL 68 + QD2 LEU 53 OK 33 78 - 43 - 6123/5751=9, 5827/2.1=5...(13) QD1 ILE 16 + QD2 LEU 53 OK 24 89 - 27 - 5827/2.1=5, ~5811=3...(9) Peak 5824 from cnoeabs.peaks (-0.19, 0.61, 23.44 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 21 + QD2 LEU 53 OK 80 99 - 80 - 2.1/4824=45...(15) QD1 ILE 80 + QD2 LEU 53 OK 38 92 - 41 - 6530/4.0=5, 3389/3.1=5...(14) Peak 5825 from cnoeabs.peaks (0.84, 0.77, 25.50 ppm; 2.65 A): 7 out of 10 assignments used, quality = 0.92: QD2 LEU 62 + QD1 LEU 53 OK 60 99 - 60 - 7100=17, 2.1/7099=16...(14) QG2 VAL 30 + QD1 LEU 53 OK 39 100 - 39 - 5052/2.1=13, 7100=5...(13) QG1 VAL 30 + QD1 LEU 53 OK 31 100 - 31 - ~5052=7, 5821/2.1=5...(11) QG2 VAL 25 + QD1 LEU 53 OK 27 65 - 41 - ~4910=11, 5112/2.1=7...(11) QD1 ILE 51 + QD1 LEU 53 OK 18 65 - 27 - 5759/2.1=8, ~5751=6...(7) QG2 ILE 16 + QD1 LEU 53 OK 12 92 - 13 - 3.2/5811=2, 3.1/5827=2...(6) QG2 ILE 80 + QD1 LEU 53 OK 11 100 - 11 - ~5824=2, 7126/4.0=2...(5) QG2 ILE 37 - QD1 LEU 53 lone 9 100 - 9 - 7159/3.1=2, 5821/2.1=1 QG1 VAL 18 - QD1 LEU 53 lone 4 71 - 6 - QG2 ILE 40 - QD1 LEU 53 lone 3 60 - 5 - 2024=1 Peak 5826 from cnoeabs.peaks (0.98, 0.77, 25.50 ppm; 3.11 A): 3 out of 3 assignments used, quality = 0.85: QD1 LEU 62 + QD1 LEU 53 OK 65 90 - 72 - 7099=29, 5962/2.1=20...(15) QB ALA 66 + QD1 LEU 53 OK 42 76 - 55 - 6028/2.1=20, ~6021=13...(11) QG1 VAL 95 + QD1 LEU 53 OK 27 100 - 27 - 6028/2.1=6, 2.1/6906=4...(8) Peak 5827 from cnoeabs.peaks (0.28, 0.77, 25.50 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.87: QD1 LEU 21 + QD1 LEU 53 OK 73 100 - 73 - 4824/2.1=46, ~5824=18...(13) QG2 VAL 68 + QD1 LEU 53 OK 31 89 - 35 - 5823/2.1=11, 2.1/6132=7...(11) QD1 ILE 16 + QD1 LEU 53 OK 31 78 - 39 - 2.1/5811=8, 5823/2.1=8...(13) Peak 5829 from cnoeabs.peaks (2.59, 6.85, 117.91 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.79: HB2 ASN 52 + QE TYR 54 OK 55 86 - 64 - 5777=20, 1.8/5777=17...(10) HB3 ASN 52 + QE TYR 54 OK 54 84 - 64 - 5777=20, 1.8/5777=17...(10) HB2 ASP 71 - QE TYR 54 lone 6 88 - 7 - 4701/2.2=2, 6090/6068=1 Peak 5830 from cnoeabs.peaks (1.45, 6.85, 117.91 ppm; 3.51 A): 3 out of 13 assignments used, quality = 0.79: QG2 THR 67 + QE TYR 54 OK 60 86 - 70 - 6068=38, 6069/2.2=19...(11) HG2 LYS 63 + QE TYR 54 OK 28 79 - 35 - 4705/2.2=6, ~7216=5...(11) HG3 LYS 63 + QE TYR 54 OK 28 79 - 35 - 4705/2.2=6, ~7216=5...(11) HG3 LYS 61 - QE TYR 54 poor 8 56 - 14 - 4705/2.2=2, ~4704=2...(8) HB ILE 51 - QE TYR 54 lone 7 82 - 9 - 905/5851=1, 6023/5847=1 HG12 ILE 80 - QE TYR 54 lone 7 86 - 9 - ~6538=2, 6503/4708=1...(4) HG2 LYS 61 - QE TYR 54 poor 7 54 - 14 - 4705/2.2=2, ~4704=2...(8) HG3 LYS 94 - QE TYR 54 lone 7 87 - 8 - ~4704=2, 4705/2.2=1, ~5834=1 HG13 ILE 51 - QE TYR 54 lone 6 79 - 7 - QB ALA 31 - QE TYR 54 lone 4 73 - 6 - HG2 LYS 44 - QE TYR 54 lone 2 54 - 4 - HB2 LYS 41 - QE TYR 54 lone 1 61 - 2 - HD3 LYS 86 - QE TYR 54 lone 1 56 - 1 - Peak 5831 from cnoeabs.peaks (0.95, 6.85, 117.91 ppm; 5.35 A): 3 out of 4 assignments used, quality = 0.89: QB ALA 66 + QE TYR 54 OK 83 85 - 97 - 2.1/5847=46, ~4698=39...(17) QD1 ILE 27 + QE TYR 54 OK 21 87 - 24 - 4980/5786=5, 4706/2.2=4...(8) QG1 VAL 95 + QE TYR 54 OK 19 49 - 38 - 4706/2.2=9, 4.2/5852=4...(13) QG2 ILE 27 - QE TYR 54 poor 6 59 - 11 - ~4706=3, 4968/5786=3 Peak 5832 from cnoeabs.peaks (2.60, 7.18, 132.31 ppm; 5.60 A): 2 out of 5 assignments used, quality = 0.95: HB3 ASN 52 + QD TYR 54 OK 77 96 - 80 - 4700/2.2=23, ~4700=21...(10) HB2 ASN 52 + QD TYR 54 OK 77 95 - 80 - 4700/2.2=23, ~4700=21...(10) HB2 ASP 71 - QD TYR 54 OK 13 93 - 13 - 5829/2.2=3, 3.9/5850=2...(5) HB3 ASP 32 - QD TYR 54 lone 2 59 - 4 - HB3 ASP 12 - QD TYR 54 lone 2 54 - 3 - Peak 5833 from cnoeabs.peaks (1.97, 7.18, 132.31 ppm; 5.79 A): 3 out of 11 assignments used, quality = 0.93: HB2 GLU 65 + QD TYR 54 OK 68 92 - 74 - 6017/2.5=26, 1.8/4704=17...(9) HB2 LYS 77 + QD TYR 54 OK 62 91 - 68 - 2.9/4866=11, 2.9/4866=11...(16) HG3 PRO 74 + QD TYR 54 OK 41 83 - 50 - 2.3/4704=8, 5841/2.5=8...(9) HB VAL 95 - QD TYR 54 OK 22 71 - 31 - 2.1/4706=10, ~4708=6...(8) HG3 PRO 49 - QD TYR 54 OK 20 56 - 36 - 2.3/5630=21, ~5838=4...(8) HB VAL 25 - QD TYR 54 OK 15 64 - 24 - ~1544=5, 4907/5785=4...(7) HG3 PRO 73 - QD TYR 54 OK 10 79 - 13 - 2.3/4702=3, ~6325=2...(5) HG2 GLN 19 - QD TYR 54 lone 7 94 - 8 - 5841/2.5=1, 5840/2.5=1 HB3 LYS 45 - QD TYR 54 lone 7 79 - 9 - 5840/2.5=1 HB2 LYS 45 - QD TYR 54 lone 7 79 - 9 - 5840/2.5=1 HB3 GLU 28 - QD TYR 54 lone 7 91 - 7 - Peak 5834 from cnoeabs.peaks (1.82, 7.18, 132.31 ppm; 5.15 A): 5 out of 9 assignments used, quality = 0.90: HB3 GLU 65 + QD TYR 54 OK 65 96 - 68 - ~6017=17, 5836/2.5=15...(9) HB2 PRO 74 + QD TYR 54 OK 36 88 - 41 - 5836/2.5=8, 2.3/4703=6...(10) HB2 LYS 61 + QD TYR 54 OK 34 86 - 39 - 5836/2.5=8, 5842/2.5=4...(14) HB2 LYS 94 + QD TYR 54 OK 29 96 - 30 - 5836/2.5=6, ~5843=3...(13) HG LEU 62 + QD TYR 54 OK 11 88 - 13 - ~5963=5, 2.1/4706=3, 4257/5971=2 HB2 GLN 48 - QD TYR 54 poor 9 79 - 11 - 3.0/4697=2, 3.8/4693=2...(5) HB ILE 39 - QD TYR 54 lone 7 96 - 7 - 5368/4701=1, 5368/4701=1 HG2 GLU 87 - QD TYR 54 lone 5 66 - 7 - 3.8/4697=2, 3.0/4866=1 HB ILE 93 - QD TYR 54 lone 5 83 - 5 - 4.0/5850=2 Peak 5835 from cnoeabs.peaks (1.46, 7.18, 132.31 ppm; 5.48 A): 3 out of 10 assignments used, quality = 0.97: QG2 THR 67 + QD TYR 54 OK 83 93 - 89 - 6068/2.2=38, 6069=35...(14) HG2 LYS 63 + QD TYR 54 OK 57 59 - 97 - ~7108=27, ~7210=27...(28) HG3 LYS 63 + QD TYR 54 OK 57 59 - 97 - ~7108=27, ~7210=27...(28) HG12 ILE 80 - QD TYR 54 OK 26 93 - 28 - 2.1/6538=6, 6023/4698=4...(11) HG3 LYS 94 - QD TYR 54 OK 25 77 - 32 - 2.9/4704=6, ~5836=4...(11) HB ILE 51 - QD TYR 54 OK 21 95 - 22 - 6023/4698=5, 905/4694=3...(10) HG2 LYS 44 - QD TYR 54 OK 16 89 - 18 - 1.8/4866=2, ~5843=2...(9) QB ALA 31 - QD TYR 54 OK 13 95 - 13 - 5093/5630=3, 5830/2.2=1 HG13 ILE 51 - QD TYR 54 poor 10 59 - 16 - 6023/4698=2, 905/4694=2...(6) HB2 LYS 41 - QD TYR 54 lone 7 92 - 7 - 6957/4695=1 Peak 5836 from cnoeabs.peaks (1.83, 3.16, 38.98 ppm; 4.28 A): 4 out of 11 assignments used, quality = 0.86: HB3 GLU 65 + HB3 TYR 54 OK 61 99 - 62 - ~6017=14, 4704/2.5=14...(13) HB2 PRO 74 + HB3 TYR 54 OK 34 100 - 35 - 4704/2.5=7, 5842/1.8=6...(10) HB2 LYS 61 + HB3 TYR 54 OK 31 99 - 32 - 4704/2.5=6, 5842/1.8=5...(12) HB2 LYS 94 + HB3 TYR 54 OK 23 97 - 23 - 4704/2.5=5, 5842/1.8=3...(11) HB2 LYS 44 - HB3 TYR 54 poor 7 63 - 10 - 2.9/5838=2, 5842/1.8=1...(5) HB ILE 16 - HB3 TYR 54 lone 5 68 - 7 - ~7058=2, 5842/1.8=1, ~4615=1 HG LEU 62 - HB3 TYR 54 lone 4 81 - 4 - 4704/2.5=2, ~4706=1 HB ILE 39 - HB3 TYR 54 lone 3 97 - 3 - 4704/2.5=1 HB2 GLN 48 - HB3 TYR 54 lone 3 68 - 4 - 4704/2.5=2 HB ILE 37 - HB3 TYR 54 lone 2 76 - 3 - HB ILE 93 - HB3 TYR 54 lone 1 73 - 2 - Peak 5837 from cnoeabs.peaks (1.68, 3.16, 38.98 ppm; 4.79 A): 3 out of 19 assignments used, quality = 0.97: HD3 LYS 63 + HB3 TYR 54 OK 90 100 - 90 - 1.8/7210=39, 3.9/7108=29...(16) HD3 LYS 61 + HB3 TYR 54 OK 42 100 - 43 - 7215=7, 3.9/5836=6...(16) HD2 LYS 61 + HB3 TYR 54 OK 42 100 - 43 - 7215=7, 3.9/5836=6...(16) HD2 LYS 77 - HB3 TYR 54 OK 39 71 - 55 - 3.0/5838=10, 3.0/5838=10...(15) HD3 LYS 94 - HB3 TYR 54 OK 37 100 - 37 - 7215=5, 3.4/5836=4...(17) HD2 LYS 94 - HB3 TYR 54 OK 37 100 - 37 - 7215=5, 3.4/5836=4...(17) HB3 LYS 61 - HB3 TYR 54 OK 35 85 - 42 - 1.8/5836=8, ~4704=5...(13) HD2 LYS 44 - HB3 TYR 54 OK 19 100 - 18 - 7215=2, 1.8/7215=2...(9) HD3 LYS 44 - HB3 TYR 54 OK 19 100 - 18 - 7215=2, 1.8/7215=2...(9) QB ALA 79 - HB3 TYR 54 OK 14 98 - 14 - 6465/4.4=7, ~1186=2...(4) HD3 LYS 45 - HB3 TYR 54 lone 7 73 - 9 - HD2 LYS 45 - HB3 TYR 54 lone 6 68 - 9 - HG12 ILE 27 - HB3 TYR 54 lone 6 85 - 7 - ~4706=3 HG12 ILE 39 - HB3 TYR 54 lone 4 92 - 4 - HG3 ARG 57 - HB3 TYR 54 lone 3 100 - 3 - HG2 ARG 57 - HB3 TYR 54 lone 3 100 - 3 - HD3 LYS 35 - HB3 TYR 54 lone 2 99 - 2 - HB ILE 40 - HB3 TYR 54 lone 2 100 - 2 - HB2 MET 50 - HB3 TYR 54 lone 1 65 - 1 - Peak 5838 from cnoeabs.peaks (1.57, 3.16, 38.98 ppm; 4.39 A): 3 out of 7 assignments used, quality = 0.94: HG3 LYS 77 + HB3 TYR 54 OK 60 100 - 61 - 4866/2.5=8, 5843/1.8=7...(24) HG2 LYS 77 + HB3 TYR 54 OK 60 100 - 61 - 4866/2.5=8, 5843/1.8=7...(23) HD2 LYS 63 + HB3 TYR 54 OK 60 73 - 82 - 7210=26, 3.9/7108=24...(17) HB3 PRO 49 - HB3 TYR 54 OK 22 99 - 22 - 5630/2.5=12, 5843/1.8=3...(7) HG3 LYS 44 - HB3 TYR 54 OK 11 90 - 12 - 5843/1.8=2, 4866/2.5=2...(5) HB3 GLU 87 - HB3 TYR 54 lone 6 97 - 6 - ~4697=1 HD2 LYS 86 - HB3 TYR 54 lone 1 63 - 2 - Peak 5839 from cnoeabs.peaks (1.41, 3.16, 38.98 ppm; 4.89 A): 4 out of 10 assignments used, quality = 0.97: HG2 LYS 63 + HB3 TYR 54 OK 70 73 - 95 - 2.9/7108=35, 3.0/7210=33...(26) HG3 LYS 63 + HB3 TYR 54 OK 70 73 - 95 - 2.9/7108=35, 3.0/7210=33...(26) HG2 LYS 61 + HB3 TYR 54 OK 48 97 - 50 - 3.0/5836=7, 1.8/7109=6...(19) HG3 LYS 61 + HB3 TYR 54 OK 47 96 - 50 - 3.0/5836=7, 1.8/7109=6...(19) HB3 LEU 53 - HB3 TYR 54 OK 38 81 - 47 - 4.4/841=31, ~4697=12, ~5785=11 QB ALA 78 - HB3 TYR 54 OK 16 97 - 16 - 6431/2.5=5, ~6428=3...(6) HG3 LYS 45 - HB3 TYR 54 lone 7 99 - 7 - HG13 ILE 51 - HB3 TYR 54 lone 4 73 - 6 - ~5835=1 HD3 LYS 86 - HB3 TYR 54 lone 2 96 - 3 - HG2 LYS 41 - HB3 TYR 54 lone 2 96 - 2 - Peak 5840 from cnoeabs.peaks (1.97, 3.16, 38.98 ppm; 5.02 A): 3 out of 11 assignments used, quality = 0.95: HB2 GLU 65 + HB3 TYR 54 OK 76 100 - 76 - 6017/1.8=25, 1.8/5836=16...(14) HB2 LYS 77 + HB3 TYR 54 OK 61 100 - 62 - 4703/2.5=11, 2.9/5838=11...(16) HG3 PRO 74 + HB3 TYR 54 OK 44 97 - 46 - 2.3/5836=9, 5841/1.8=7...(9) HG2 PRO 49 - HB3 TYR 54 OK 17 57 - 30 - ~5630=11, 2.3/5838=4...(8) HB VAL 95 - HB3 TYR 54 OK 13 65 - 20 - ~4706=6, 4703/2.5=4...(6) HB VAL 25 - HB3 TYR 54 lone 8 83 - 10 - 1539/4.4=3, 7101/7106=2...(5) HG3 PRO 73 - HB3 TYR 54 lone 8 76 - 10 - ~4702=2, ~6325=2...(5) HG2 GLN 19 - HB3 TYR 54 lone 6 100 - 6 - 4734/7108=2, 5841/1.8=1 HB3 LYS 45 - HB3 TYR 54 lone 6 76 - 7 - 4703/2.5=1 HB2 LYS 45 - HB3 TYR 54 lone 6 76 - 7 - 4703/2.5=1 HB3 GLU 28 - HB3 TYR 54 lone 5 100 - 5 - 7101/7106=1 Peak 5841 from cnoeabs.peaks (1.97, 2.83, 38.98 ppm; 4.94 A): 3 out of 11 assignments used, quality = 0.96: HB2 GLU 65 + HB2 TYR 54 OK 81 100 - 81 - 6017=29, 4703/2.5=13...(16) HB2 LYS 77 + HB2 TYR 54 OK 60 100 - 60 - 4703/2.5=11, 5840/1.8=10...(17) HG3 PRO 74 + HB2 TYR 54 OK 46 97 - 48 - 2.3/6334=8, 2.3/5842=8...(10) HG2 PRO 49 - HB2 TYR 54 OK 17 57 - 29 - ~5630=11, 2.3/5843=4...(8) HB VAL 95 - HB2 TYR 54 OK 15 65 - 23 - ~4706=6, 4703/2.5=4...(7) HG3 PRO 73 - HB2 TYR 54 poor 9 76 - 12 - 2.3/6325=2, ~4702=2...(6) HG2 GLN 19 - HB2 TYR 54 lone 7 100 - 7 - 4743/7174=2 HB VAL 25 - HB2 TYR 54 lone 7 83 - 9 - 1539/4.4=2, 5833/2.5=2 HB3 LYS 45 - HB2 TYR 54 lone 5 76 - 7 - 4703/2.5=1 HB2 LYS 45 - HB2 TYR 54 lone 5 76 - 7 - 4703/2.5=1 HB3 GLU 28 - HB2 TYR 54 lone 5 100 - 5 - Peak 5842 from cnoeabs.peaks (1.84, 2.83, 38.98 ppm; 4.45 A): 5 out of 12 assignments used, quality = 0.91: HB3 GLU 65 + HB2 TYR 54 OK 57 85 - 68 - 1.8/6017=20, 5836/1.8=13...(13) HB2 PRO 74 + HB2 TYR 54 OK 42 99 - 42 - 5836/1.8=7, 3.0/6334=6...(11) HD3 LYS 77 + HB2 TYR 54 OK 33 73 - 45 - 3.0/5843=7, 3.0/5843=7...(16) HB2 LYS 61 + HB2 TYR 54 OK 31 100 - 31 - 5836/1.8=7, 4704/2.5=6...(12) HB2 LYS 94 + HB2 TYR 54 OK 21 81 - 26 - 5836/1.8=5, 4704/2.5=4...(12) HB ILE 16 - HB2 TYR 54 poor 10 92 - 10 - 4.4/626=2, ~7058=2...(4) HB2 LYS 44 - HB2 TYR 54 lone 9 89 - 10 - 2.9/5843=2, 5836/1.8=2, ~5838=1 HB3 LYS 44 - HB2 TYR 54 lone 8 83 - 9 - 2.9/5843=2, ~5836=1, ~5838=1 HB ILE 37 - HB2 TYR 54 lone 4 96 - 4 - 7160/4.4=1 HB ILE 27 - HB2 TYR 54 lone 4 76 - 5 - ~4706=2 HB ILE 39 - HB2 TYR 54 lone 3 81 - 3 - 4704/2.5=1 HB2 PRO 92 - HB2 TYR 54 lone 2 73 - 2 - Peak 5843 from cnoeabs.peaks (1.56, 2.83, 38.98 ppm; 4.82 A): 3 out of 8 assignments used, quality = 0.95: HG2 LYS 77 + HB2 TYR 54 OK 66 97 - 69 - 5838/1.8=11, ~5838=9...(24) HG3 LYS 77 + HB2 TYR 54 OK 66 96 - 69 - 5838/1.8=11, ~5838=9...(24) HB3 LYS 63 + HB2 TYR 54 OK 54 63 - 86 - ~7106=29, 7108/1.8=23...(18) HB3 PRO 49 - HB2 TYR 54 OK 28 99 - 28 - 5630/2.5=15, 5838/1.8=4...(7) HB3 LYS 94 - HB2 TYR 54 OK 27 83 - 33 - ~5836=4, ~4704=4...(14) HG3 LYS 44 - HB2 TYR 54 OK 16 100 - 15 - 5838/1.8=2, 4866/2.5=2...(9) HB3 GLU 87 - HB2 TYR 54 lone 7 100 - 7 - ~4697=2, 4866/2.5=1, 5838/1.8=1 HD2 LYS 86 - HB2 TYR 54 lone 3 92 - 3 - Peak 5844 from cnoeabs.peaks (1.44, 2.83, 38.98 ppm; 4.86 A): 3 out of 12 assignments used, quality = 1.00: HG2 LYS 63 + HB2 TYR 54 OK 94 99 - 95 - ~7108=25, ~7210=25...(28) HG3 LYS 63 + HB2 TYR 54 OK 94 99 - 95 - ~7108=25, ~7210=25...(28) QG2 THR 67 + HB2 TYR 54 OK 67 97 - 69 - 6069/2.5=30, 6068/4.4=26...(6) HG3 LYS 61 - HB2 TYR 54 OK 42 83 - 50 - 7109/1.8=6, 3.0/5842=5...(19) HG2 LYS 61 - HB2 TYR 54 OK 40 81 - 50 - 7109/1.8=6, 3.0/5842=5...(19) HG3 LYS 94 - HB2 TYR 54 OK 31 100 - 31 - ~5836=4, 2.9/5842=4...(13) HG12 ILE 80 - HB2 TYR 54 OK 13 97 - 14 - ~6538=4, ~6531=2...(5) HB ILE 51 - HB2 TYR 54 lone 7 90 - 8 - 5830/4.4=1, 5835/2.5=1 HG13 ILE 51 - HB2 TYR 54 lone 7 99 - 7 - 4705/2.5=1, 4707/4.4=1, ~5835=1 QB ALA 31 - HB2 TYR 54 lone 5 78 - 6 - 5.0/4427=1 HD3 LYS 86 - HB2 TYR 54 lone 2 83 - 3 - HB2 LYS 41 - HB2 TYR 54 lone 2 63 - 3 - Peak 5846 from cnoeabs.peaks (5.58, 7.18, 132.31 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.88: HA ALA 66 + QD TYR 54 OK 88 95 - 93 - 5847/2.2=37, 6044=28...(18) Peak 5847 from cnoeabs.peaks (5.57, 6.85, 117.91 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.70: HA ALA 66 + QE TYR 54 OK 70 78 - 90 - 4698/2.2=39, 6043=33...(14) Peak 5849 from cnoeabs.peaks (5.74, 6.85, 117.91 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.71: HA THR 67 + QE TYR 54 OK 71 79 - 90 - 3.2/6068=36, 3.0/5851=34...(14) Peak 5850 from cnoeabs.peaks (8.45, 7.18, 132.31 ppm; 5.54 A): 5 out of 9 assignments used, quality = 0.82: H THR 67 + QD TYR 54 OK 69 75 - 92 - 3.6/4698=43, 4.0/6069=29...(13) H ALA 98 + QD TYR 54 OK 17 59 - 30 - 4.6/4695=17, 3.6/4560=5...(5) H LEU 21 + QD TYR 54 OK 11 73 - 15 - 4.7/4784=6, 4796/3.7=2 H THR 15 + QD TYR 54 OK 11 93 - 12 - ~4699=5, 3026/6069=2 H ILE 93 + QD TYR 54 OK 10 92 - 11 - 7206/4697=2, 5780/5785=1 H ASP 71 - QD TYR 54 poor 10 95 - 10 - 3.9/4701=2, 5851/2.2=1 H GLY 60 - QD TYR 54 lone 8 86 - 9 - 4696/2.2=2 H THR 42 - QD TYR 54 lone 5 66 - 8 - 5506/4695=2, 5506/4695=2 H GLY 90 - QD TYR 54 lone 5 88 - 6 - Peak 5851 from cnoeabs.peaks (8.42, 6.85, 117.91 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.78: H THR 67 + QE TYR 54 OK 78 88 - 89 - 6061=33, 4694/2.2=28...(12) H GLY 60 - QE TYR 54 lone 6 84 - 7 - 4694/2.2=3 H ASP 71 - QE TYR 54 lone 4 54 - 7 - 4694/2.2=2, 3.9/5829=2 H GLY 90 - QE TYR 54 lone 3 83 - 3 - 4694/2.2=1 Peak 5852 from cnoeabs.peaks (8.91, 6.85, 117.91 ppm; 5.40 A): 4 out of 5 assignments used, quality = 0.88: H ALA 66 + QE TYR 54 OK 80 86 - 94 - 3.0/5847=42, ~4698=34...(13) H SER 96 + QE TYR 54 OK 19 76 - 25 - ~4697=8, 4.2/4708=5...(6) H VAL 18 + QE TYR 54 OK 16 61 - 26 - 4698/5849=11...(4) H PHE 97 + QE TYR 54 OK 14 56 - 24 - 4695/2.2=16, ~4560=4...(4) H ASP 56 - QE TYR 54 lone 3 47 - 6 - Peak 5853 from cnoeabs.peaks (8.76, 1.03, 21.69 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.82: H LEU 62 + QG2 THR 55 OK 82 99 - 83 - 4.6/5977=19, 3.0/5862=18...(14) Peak 5854 from cnoeabs.peaks (8.43, 1.03, 21.69 ppm; 4.80 A): 3 out of 6 assignments used, quality = 0.84: H GLY 60 + QG2 THR 55 OK 80 100 - 81 - 5936=34, 3.0/5937=23...(8) H THR 67 + QG2 THR 55 OK 11 100 - 11 - 4.6/4227=2, 307/4.1=2 H GLY 90 + QG2 THR 55 OK 11 100 - 11 - 4.6/5856=4, 3.0/7195=3, ~5860=1 H ASP 71 - QG2 THR 55 lone 8 81 - 9 - 4.6/4227=3, 3.6/2642=2 H ILE 93 - QG2 THR 55 lone 3 65 - 5 - 4.0/5865=1 H THR 15 - QG2 THR 55 lone 2 68 - 2 - Peak 5855 from cnoeabs.peaks (7.99, 1.03, 21.69 ppm; 4.17 A): 4 out of 5 assignments used, quality = 0.88: H LYS 63 + QG2 THR 55 OK 81 100 - 81 - 5977=37, 7053/3.2=23...(12) H PHE 34 + QG2 THR 55 OK 17 99 - 17 - 4.3/5863=3, 3.6/7195=2...(7) H VAL 30 + QG2 THR 55 OK 15 81 - 18 - 3.0/7194=6, 3.9/5870=5 H GLY 22 + QG2 THR 55 OK 12 100 - 12 - 1106/5853=2, 4256/5868=1...(5) H LYS 86 - QG2 THR 55 lone 7 87 - 8 - 1106/5853=1, 5872/4.1=1 Peak 5856 from cnoeabs.peaks (7.74, 1.03, 21.69 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.88: H LYS 61 + QG2 THR 55 OK 83 90 - 92 - 5945=31, 4.5/5853=27...(18) H ASN 91 + QG2 THR 55 OK 16 76 - 21 - 5873/4.1=5, 5945=4...(7) H ILE 51 + QG2 THR 55 OK 10 68 - 15 - 3.0/2642=5, 4.0/2504=3...(4) Peak 5860 from cnoeabs.peaks (4.18, 3.83, 71.24 ppm; 4.64 A): 2 out of 7 assignments used, quality = 0.69: HA3 GLY 60 + HB THR 55 OK 64 100 - 65 - 7195/2.1=25, ~5937=19...(6) HA VAL 25 + HB THR 55 OK 13 60 - 21 - 7195/2.1=5, 3.2/5871=4...(6) HA3 GLY 47 - HB THR 55 lone 8 100 - 8 - 3.6/5594=4, 7195/2.1=2 HA ALA 78 - HB THR 55 lone 7 78 - 8 - ~5867=2, 7195/2.1=2, 6436=2 HA3 GLY 90 - HB THR 55 lone 6 87 - 7 - 7195/2.1=3, ~5854=2 HA TYR 33 - HB THR 55 lone 5 73 - 7 - ~5863=3, 7195/2.1=3 HB THR 99 - HB THR 55 lone 1 68 - 1 - Peak 5861 from cnoeabs.peaks (4.36, 3.83, 71.24 ppm; 4.25 A): 2 out of 8 assignments used, quality = 0.85: HA LYS 61 + HB THR 55 OK 62 100 - 62 - 7196/2.1=22, ~5945=13...(11) HA LEU 62 + HB THR 55 OK 60 99 - 61 - 5862/2.1=20, ~5853=18...(6) HA THR 42 - HB THR 55 lone 6 73 - 8 - 3.2/5497=3, 5862/2.1=1, ~7194=1 HA TRP 82 - HB THR 55 lone 5 99 - 5 - ~5863=1, 5862/2.1=1 HA PHE 34 - HB THR 55 lone 4 73 - 5 - ~5855=3 HA SER 11 - HB THR 55 lone 3 100 - 3 - HA ALA 98 - HB THR 55 lone 3 92 - 4 - 5883/4.6=1 HA SER 29 - HB THR 55 lone 2 63 - 3 - Peak 5862 from cnoeabs.peaks (4.36, 1.03, 21.69 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.87: HA LEU 62 + QG2 THR 55 OK 65 100 - 65 - 3.0/5853=17, 3.6/5977=14...(9) HA LYS 61 + QG2 THR 55 OK 64 98 - 65 - 7196=20, 3.6/5853=15...(15) HA THR 42 - QG2 THR 55 lone 4 85 - 5 - 3.0/7194=1, ~5497=1 HA TRP 82 - QG2 THR 55 lone 4 100 - 4 - HA SER 29 - QG2 THR 55 lone 3 76 - 4 - 3.6/5855=2 HA PHE 34 - QG2 THR 55 lone 3 60 - 5 - 3.0/5855=3 HA ALA 98 - QG2 THR 55 lone 2 97 - 2 - HA SER 11 - QG2 THR 55 lone 2 100 - 2 - Peak 5863 from cnoeabs.peaks (3.07, 1.03, 21.69 ppm; 5.13 A): 2 out of 7 assignments used, quality = 0.53: HB2 ASP 56 + QG2 THR 55 OK 46 100 - 46 - 848/4.1=34, 5876/5945=8...(4) HB2 TYR 33 + QG2 THR 55 OK 13 78 - 17 - 4.3/5855=4, 3.0/7195=3...(5) HB3 TRP 82 - QG2 THR 55 lone 6 76 - 8 - 3.0/5862=1 HE3 LYS 41 - QG2 THR 55 lone 6 83 - 7 - 5931/5936=2, 3.8/5867=1 HE2 LYS 77 - QG2 THR 55 lone 5 100 - 5 - HE2 LYS 41 - QG2 THR 55 lone 4 78 - 5 - 3.8/5867=1 HE3 LYS 77 - QG2 THR 55 lone 4 85 - 4 - Peak 5865 from cnoeabs.peaks (1.81, 1.03, 21.69 ppm; 3.96 A): 3 out of 9 assignments used, quality = 0.81: HG LEU 62 + QG2 THR 55 OK 60 100 - 60 - 2.1/5870=21, 5.0/5853=16...(7) HB2 LYS 61 + QG2 THR 55 OK 42 63 - 67 - 4.4/5853=19, 3.0/7196=17...(15) HB2 GLN 48 + QG2 THR 55 OK 17 100 - 17 - 5597/2.1=6, ~5599=4...(5) HB2 LYS 94 - QG2 THR 55 lone 8 96 - 8 - 1.8/5868=2, 285/5977=1 HB ILE 93 - QG2 THR 55 lone 5 100 - 5 - HB3 GLU 65 - QG2 THR 55 lone 4 93 - 4 - 4.4/4227=2 HG2 GLU 87 - QG2 THR 55 lone 3 97 - 3 - HB ILE 39 - QG2 THR 55 lone 1 96 - 1 - HB2 PRO 74 - QG2 THR 55 lone 1 65 - 1 - Peak 5866 from cnoeabs.peaks (1.69, 1.03, 21.69 ppm; 4.57 A): 4 out of 18 assignments used, quality = 0.93: HD2 LYS 61 + QG2 THR 55 OK 56 100 - 57 - 4.8/7196=14, 3.0/5867=12...(11) HD3 LYS 61 + QG2 THR 55 OK 56 100 - 57 - 4.8/7196=14, 3.0/5867=12...(11) HB3 LYS 61 + QG2 THR 55 OK 49 63 - 78 - 4.4/5853=25, 3.0/7196=21...(13) HD3 LYS 63 + QG2 THR 55 OK 30 100 - 30 - 5.9/5977=14, 3.9/5868=7...(6) HG2 ARG 57 - QG2 THR 55 OK 16 100 - 16 - 3.9/5888=13, 5934/5936=1 HG3 ARG 57 - QG2 THR 55 OK 16 99 - 16 - 3.9/5888=13, 5934/5936=1 HD3 LYS 94 - QG2 THR 55 lone 10 98 - 10 - 3.4/5868=2, 3.4/5865=2 HD2 LYS 94 - QG2 THR 55 lone 10 98 - 10 - 3.4/5868=2, 3.4/5865=2 HB ILE 40 - QG2 THR 55 lone 8 100 - 8 - 2.1/5870=2, ~5871=1 QB ALA 79 - QG2 THR 55 lone 7 87 - 8 - 4.7/5867=2, 6494/6134=1 HD2 LYS 77 - QG2 THR 55 lone 5 90 - 6 - 3.0/5863=2, 3.0/5863=1 HD3 LYS 45 - QG2 THR 55 lone 5 92 - 5 - 2.9/5867=1 HD2 LYS 45 - QG2 THR 55 lone 5 89 - 5 - 2.9/5867=1 HD3 LYS 44 - QG2 THR 55 lone 4 100 - 4 - HD2 LYS 44 - QG2 THR 55 lone 4 100 - 4 - HD3 LYS 35 - QG2 THR 55 lone 3 100 - 3 - HG12 ILE 27 - QG2 THR 55 lone 3 63 - 5 - ~4952=1 HG12 ILE 39 - QG2 THR 55 lone 2 99 - 2 - Peak 5867 from cnoeabs.peaks (1.40, 1.03, 21.69 ppm; 4.50 A): 3 out of 7 assignments used, quality = 0.74: HG2 LYS 61 + QG2 THR 55 OK 47 71 - 66 - 5.0/5853=21, 3.9/7196=17...(13) HG3 LYS 61 + QG2 THR 55 OK 45 68 - 66 - 5.0/5853=21, 3.9/7196=17...(13) QB ALA 78 + QG2 THR 55 OK 10 100 - 10 - 2.1/7195=2, ~5860=2, ~6436=2 HB3 LEU 53 - QG2 THR 55 lone 6 99 - 7 - 5956/5870=4 HG2 LYS 41 - QG2 THR 55 lone 5 100 - 5 - 3.8/5863=2, 3.8/5863=1 HD3 LYS 86 - QG2 THR 55 lone 5 68 - 7 - 1.8/5868=2 HG3 LYS 45 - QG2 THR 55 lone 4 99 - 4 - 1.8/5868=1 Peak 5868 from cnoeabs.peaks (1.54, 1.03, 21.69 ppm; 4.32 A): 2 out of 9 assignments used, quality = 0.82: HB3 LEU 62 + QG2 THR 55 OK 73 96 - 77 - 3.6/5853=26, 3.1/5870=20...(10) HB3 LYS 63 + QG2 THR 55 OK 33 98 - 34 - 3.9/5977=21, 4.7/5990=5...(6) HB3 LYS 94 - QG2 THR 55 lone 9 100 - 9 - 1.8/5865=2, 883/5977=1 HD2 LYS 86 - QG2 THR 55 lone 7 100 - 7 - 1.8/5867=1, 3602/5977=1 HG13 ILE 93 - QG2 THR 55 lone 4 89 - 5 - 3.0/5865=1 HG2 LYS 45 - QG2 THR 55 lone 4 76 - 5 - 1.8/5867=1 HB3 GLU 87 - QG2 THR 55 lone 3 81 - 4 - HG3 LYS 44 - QG2 THR 55 lone 3 90 - 3 - HB3 PRO 49 - QG2 THR 55 lone 2 71 - 3 - Peak 5869 from cnoeabs.peaks (1.43, 3.83, 71.24 ppm; 5.27 A): 5 out of 11 assignments used, quality = 0.90: HG3 LYS 61 + HB THR 55 OK 52 99 - 53 - 3.9/5861=16, ~5867=13...(9) HG2 LYS 61 + HB THR 55 OK 52 99 - 53 - 3.9/5861=16, ~5867=13...(9) HG3 LYS 63 + HB THR 55 OK 26 99 - 26 - ~5868=7, 7102/3.0=7...(5) HG2 LYS 63 + HB THR 55 OK 26 99 - 26 - ~5868=7, 7102/3.0=7...(5) HG13 ILE 51 + HB THR 55 OK 19 99 - 18 - 2515/3.0=5, ~2508=4...(5) HD3 LYS 86 - HB THR 55 lone 7 99 - 7 - ~5868=2, 5886/4.6=1, 2515/3.0=1 HG3 LYS 94 - HB THR 55 lone 6 93 - 7 - ~5868=2, ~5865=2 QG2 THR 67 - HB THR 55 lone 6 71 - 8 - 6080/3.0=2, 6058/4.6=2 QB ALA 78 - HB THR 55 lone 5 60 - 8 - 2.1/5860=3, ~7195=2 HG12 ILE 80 - HB THR 55 lone 3 71 - 5 - 3.2/5871=1 HG3 LYS 45 - HB THR 55 lone 3 71 - 4 - Peak 5870 from cnoeabs.peaks (0.84, 1.03, 21.69 ppm; 2.90 A): 4 out of 8 assignments used, quality = 0.57: QD2 LEU 62 + QG2 THR 55 OK 40 100 - 40 - 4.5/5853=9, 2.1/5865=8...(8) QG2 VAL 30 + QG2 THR 55 OK 11 97 - 12 - 3.2/7194=3, 5871/2.1=2...(5) QG1 VAL 30 + QG2 THR 55 OK 10 100 - 10 - 3.2/7194=3, 5871/2.1=2...(4) QG2 VAL 25 + QG2 THR 55 OK 10 87 - 11 - 2.1/4902=3, 3.9/4893=2...(4) QG2 ILE 37 - QG2 THR 55 lone 4 95 - 4 - QG2 ILE 40 - QG2 THR 55 lone 4 83 - 4 - QG2 ILE 16 - QG2 THR 55 lone 3 99 - 3 - QG2 ILE 80 - QG2 THR 55 lone 2 99 - 2 - Peak 5871 from cnoeabs.peaks (0.84, 3.83, 71.24 ppm; 4.69 A): 4 out of 8 assignments used, quality = 0.79: QD2 LEU 62 + HB THR 55 OK 60 100 - 60 - 5870/2.1=23, 5960/3.0=18...(7) QG2 VAL 30 + HB THR 55 OK 20 97 - 21 - 5870/2.1=7, ~5870=5...(5) QG1 VAL 30 + HB THR 55 OK 19 100 - 19 - 5870/2.1=6, ~5870=5...(5) QG2 VAL 25 + HB THR 55 OK 18 87 - 21 - 5870/2.1=6, ~4902=6...(5) QG2 ILE 40 - HB THR 55 lone 6 83 - 7 - 5870/2.1=2, ~5429=1 QG2 ILE 16 - HB THR 55 lone 6 99 - 6 - 5870/2.1=2, 5887/4.6=2 QG2 ILE 37 - HB THR 55 lone 5 95 - 5 - 5870/2.1=2 QG2 ILE 80 - HB THR 55 lone 4 99 - 4 - 5870/2.1=1 Peak 5874 from cnoeabs.peaks (8.43, 3.07, 42.63 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.79: H GLY 60 + HB2 ASP 56 OK 76 100 - 77 - 5931=30, 5932/1.8=24...(9) H GLY 90 + HB2 ASP 56 OK 13 100 - 13 - 4.6/5876=7, 5877/1.8=3 H THR 67 - HB2 ASP 56 lone 10 99 - 9 - 5877/1.8=2, 4.6/5875=2...(4) H ASP 71 - HB2 ASP 56 lone 5 89 - 5 - 5877/1.8=1 H THR 15 - HB2 ASP 56 lone 4 78 - 4 - 4558/3.0=1, 5877/1.8=1 H ILE 93 - HB2 ASP 56 lone 2 76 - 3 - Peak 5875 from cnoeabs.peaks (8.07, 3.07, 42.63 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.65: H THR 59 + HB2 ASP 56 OK 65 99 - 66 - 5908=27, 5905/1.8=25...(7) H VAL 68 - HB2 ASP 56 lone 7 90 - 8 - 6167/4.0=2, 4.6/5874=2 H SER 75 - HB2 ASP 56 lone 5 97 - 5 - 5879/1.8=2, 5939/5876=1 H ASN 13 - HB2 ASP 56 lone 1 76 - 1 - Peak 5876 from cnoeabs.peaks (7.75, 3.07, 42.63 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.76: H LYS 61 + HB2 ASP 56 OK 67 100 - 68 - 5941=29, 5942/1.8=23...(8) H ASN 91 + HB2 ASP 56 OK 27 98 - 28 - 5878/1.8=8, 5941=7...(7) Peak 5877 from cnoeabs.peaks (8.43, 2.44, 42.63 ppm; 4.69 A): 3 out of 12 assignments used, quality = 0.85: H GLY 60 + HB3 ASP 56 OK 77 100 - 77 - 5932=33, 5874/1.8=29...(7) H GLY 60 + HE2 LYS 86 OK 27 80 - 34 - 5932=13, 4.2/5917=8...(7) H GLY 90 + HB3 ASP 56 OK 13 100 - 13 - 4.6/5878=6, 5874/1.8=5 H THR 67 - HB3 ASP 56 lone 9 99 - 9 - 5874/1.8=4, 307/4.0=2 H ASP 71 - HB3 ASP 56 lone 5 89 - 5 - 5874/1.8=2 H THR 15 - HB3 ASP 56 lone 4 78 - 5 - 4558/3.0=2, 5874/1.8=1 H GLY 90 - HE2 LYS 86 lone 4 80 - 5 - 4.6/5878=1 H ILE 93 - HE2 LYS 86 lone 3 53 - 7 - 4.1/6682=1, 6670/7.0=1 H ASP 71 - HE2 LYS 86 lone 2 65 - 4 - H ILE 93 - HB3 ASP 56 lone 2 76 - 3 - H THR 67 - HE2 LYS 86 lone 2 78 - 2 - H THR 15 - HE2 LYS 86 lone 2 55 - 3 - Peak 5878 from cnoeabs.peaks (7.75, 2.44, 42.63 ppm; 4.31 A): 3 out of 4 assignments used, quality = 0.85: H LYS 61 + HB3 ASP 56 OK 73 100 - 73 - 5876/1.8=29, 5942=27...(11) H ASN 91 + HB3 ASP 56 OK 30 98 - 31 - 5876/1.8=12, 5942=6...(8) H LYS 61 + HE2 LYS 86 OK 22 80 - 28 - 5942=10, 4.6/5932=6...(10) H ASN 91 - HE2 LYS 86 lone 6 75 - 8 - 5942=2, 1104/5932=1, 5925/5917=1 Peak 5879 from cnoeabs.peaks (8.05, 2.44, 42.63 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.70: H THR 59 + HB3 ASP 56 OK 62 96 - 66 - 5905=31, 5875/1.8=26...(6) H THR 59 + HE2 LYS 86 OK 21 72 - 28 - 5905=12, 4.0/5917=8...(5) H SER 75 - HB3 ASP 56 lone 6 99 - 6 - 5875/1.8=2 H SER 75 - HE2 LYS 86 lone 3 76 - 4 - Peak 5880 from cnoeabs.peaks (7.56, 2.44, 42.63 ppm; 5.35 A): 4 out of 6 assignments used, quality = 0.86: QD PHE 83 + HE2 LYS 86 OK 59 79 - 76 - 6676/3.0=20, 4734/4.7=19...(8) QD PHE 83 + HB3 ASP 56 OK 38 100 - 38 - 4800/3.0=36 H ILE 80 + HE2 LYS 86 OK 34 74 - 46 - 6676/3.0=11, 6677/3.0=10...(7) HE21 GLN 48 + HE2 LYS 86 OK 13 59 - 22 - 6676/3.0=5, 6677/3.0=4...(6) H ILE 80 - HB3 ASP 56 lone 3 97 - 3 - HE21 GLN 48 - HB3 ASP 56 lone 2 83 - 2 - Peak 5881 from cnoeabs.peaks (7.33, 2.44, 42.63 ppm; 5.43 A): 0 out of 10 assignments used, low quality = 0.34: HZ2 TRP 82 - HE2 LYS 86 OK 22 76 - 30 - 2.8/6571=23, ~6573=6 HZ2 TRP 82 - HB3 ASP 56 OK 15 99 - 15 - 2.8/6571=13 H GLY 38 - HB3 ASP 56 lone 8 99 - 7 - 4.4/6682=1, 4.6/146=1 HD21 ASN 91 - HB3 ASP 56 lone 6 63 - 9 - 5.7/5878=6, 527/5942=1 H GLY 38 - HE2 LYS 86 lone 5 78 - 6 - 4.6/146=1 QD PHE 97 - HB3 ASP 56 lone 3 100 - 3 - QD PHE 97 - HE2 LYS 86 lone 2 80 - 3 - H THR 26 - HE2 LYS 86 lone 2 41 - 5 - 5011/99=1 HD21 ASN 91 - HE2 LYS 86 lone 2 43 - 4 - 5.7/5878=1 H THR 26 - HB3 ASP 56 lone 1 60 - 2 - Peak 5882 from cnoeabs.peaks (4.33, 3.07, 42.63 ppm; 4.82 A): 2 out of 5 assignments used, quality = 0.71: HB THR 59 + HB2 ASP 56 OK 54 100 - 55 - 4.0/5875=24, 4.4/5874=19...(6) HA LYS 61 + HB2 ASP 56 OK 36 63 - 57 - 2.9/5876=28, ~5942=16...(9) HA PHE 34 - HB2 ASP 56 lone 2 99 - 2 - HA ASP 81 - HB2 ASP 56 lone 2 97 - 2 - HA ASP 32 - HB2 ASP 56 lone 2 78 - 2 - Peak 5888 from cnoeabs.peaks (1.02, 4.02, 58.19 ppm; 4.42 A): 0 out of 3 assignments used, low quality = 0.00: QG2 THR 55 - HA ARG 57 lone 9 98 - 9 - 5936/5894=4, 5866/3.9=1 HG12 ILE 51 - HA ARG 57 lone 6 100 - 6 - ~5743=2, 5936/5894=2 QD1 LEU 62 - HA ARG 57 lone 2 78 - 3 - Peak 5889 from cnoeabs.peaks (4.25, 4.02, 58.19 ppm; 4.05 A): 0 out of 9 assignments used, low quality = 0.41: HA GLU 58 - HA ARG 57 OK 34 93 - 37 - ~4230=7, ~4229=7, ~253=7...(8) HA ALA 79 - HA ARG 57 OK 11 89 - 13 - 3.0/1188=4, 2.1/2661=2...(4) HA LYS 63 - HA ARG 57 lone 6 83 - 7 - 5890/3.0=1, 5890/3.0=1...(4) HA VAL 68 - HA ARG 57 lone 6 100 - 6 - 6116/5888=3 HA ILE 37 - HA ARG 57 lone 5 71 - 7 - 3.2/5288=3, 4.2/5274=3 HA LYS 45 - HA ARG 57 lone 3 99 - 3 - HA3 GLY 64 - HA ARG 57 lone 3 97 - 3 - HA3 GLY 85 - HA ARG 57 lone 2 96 - 2 - HD2 PRO 73 - HA ARG 57 lone 1 73 - 1 - Peak 5890 from cnoeabs.peaks (4.27, 1.89, 29.89 ppm; 5.09 A): 2 out of 16 assignments used, quality = 0.97: HA GLU 58 + HB2 ARG 57 OK 82 100 - 83 - 3.0/253=21, ~253=16...(13) HA GLU 58 + HB3 ARG 57 OK 82 100 - 83 - 3.0/253=21, ~253=16...(13) HA ALA 79 - HB2 ARG 57 OK 19 100 - 19 - 5889/3.0=5, ~1188=4...(6) HA ALA 79 - HB3 ARG 57 OK 19 100 - 19 - 5889/3.0=5, ~1188=4...(6) HA LYS 63 - HB3 ARG 57 OK 19 100 - 18 - 5891/3.0=3, 5891/3.0=3...(5) HA LYS 63 - HB2 ARG 57 OK 19 100 - 18 - 5891/3.0=3, 5891/3.0=3...(5) HA VAL 68 - HB2 ARG 57 lone 5 73 - 6 - 5889/3.0=2 HA VAL 68 - HB3 ARG 57 lone 5 73 - 6 - 5889/3.0=2 HA3 GLY 85 - HB2 ARG 57 lone 4 99 - 4 - HA3 GLY 85 - HB3 ARG 57 lone 4 99 - 4 - HA3 GLY 64 - HB3 ARG 57 lone 3 57 - 5 - 5889/3.0=1 HA3 GLY 64 - HB2 ARG 57 lone 3 57 - 5 - 5889/3.0=1 HA LYS 45 - HB3 ARG 57 lone 3 68 - 4 - 5889/3.0=1 HA LYS 45 - HB2 ARG 57 lone 3 68 - 4 - 5889/3.0=1 HD2 PRO 73 - HB3 ARG 57 lone 3 100 - 3 - HD2 PRO 73 - HB2 ARG 57 lone 3 100 - 3 - Peak 5891 from cnoeabs.peaks (4.27, 1.68, 26.69 ppm; 4.58 A): 2 out of 14 assignments used, quality = 0.92: HA GLU 58 + HG3 ARG 57 OK 71 98 - 73 - 3.0/4232=15, ~4231=11...(16) HA GLU 58 + HG2 ARG 57 OK 71 98 - 73 - 3.0/4232=15, ~4232=11...(16) HA LYS 63 - HG3 ARG 57 OK 19 100 - 18 - 2893=2, 5890/3.0=2...(7) HA LYS 63 - HG2 ARG 57 OK 19 100 - 18 - 2893=2, 5890/3.0=2...(7) HA ALA 79 - HG3 ARG 57 OK 13 99 - 13 - 5889/3.9=3, 5890/3.0=2...(4) HA ALA 79 - HG2 ARG 57 OK 13 99 - 13 - 5889/3.9=3, 5890/3.0=2...(4) HA3 GLY 85 - HG3 ARG 57 lone 3 97 - 3 - HA3 GLY 85 - HG2 ARG 57 lone 3 96 - 3 - HA VAL 68 - HG3 ARG 57 lone 3 63 - 4 - 5889/3.9=1 HA VAL 68 - HG2 ARG 57 lone 3 62 - 4 - 5889/3.9=1 HD2 PRO 73 - HG3 ARG 57 lone 2 100 - 2 - HD2 PRO 73 - HG2 ARG 57 lone 2 100 - 2 - HA ASP 32 - HG3 ARG 57 lone 1 60 - 2 - HA ASP 32 - HG2 ARG 57 lone 1 60 - 2 - Peak 5893 from cnoeabs.peaks (2.23, 3.21, 43.01 ppm; 4.93 A): 0 out of 8 assignments used, low quality = 0.00: HG3 GLU 23 - HD3 ARG 57 poor 9 89 - 11 - 4867/3.0=4, 4867/3.0=3, ~4865=3 HG3 GLU 23 - HD2 ARG 57 poor 9 88 - 11 - 4867/3.0=4, 4867/3.0=3, ~4865=3 HG2 GLU 58 - HD3 ARG 57 lone 8 100 - 8 - 4867/3.0=3, 4867/3.0=2, ~4865=2 HG2 GLU 58 - HD2 ARG 57 lone 8 100 - 8 - 4867/3.0=3, 4867/3.0=2, ~4865=2 HB2 PRO 49 - HD3 ARG 57 lone 4 92 - 4 - 7192/3.0=1, 7192/3.0=1 HB2 PRO 49 - HD2 ARG 57 lone 4 92 - 4 - 7192/3.0=1, 7192/3.0=1 HG2 GLU 28 - HD3 ARG 57 lone 1 63 - 2 - HG2 GLU 28 - HD2 ARG 57 lone 1 62 - 2 - Peak 5894 from cnoeabs.peaks (8.45, 4.02, 58.19 ppm; 4.85 A): 1 out of 9 assignments used, quality = 0.49: H GLY 60 + HA ARG 57 OK 49 93 - 53 - 5927/3.6=28, 5929=22...(7) H GLY 90 - HA ARG 57 poor 10 95 - 10 - 4.6/6762=3, 6746/3.0=2...(4) H ALA 98 - HA ARG 57 lone 2 65 - 3 - H ILE 93 - HA ARG 57 lone 2 98 - 2 - H LEU 21 - HA ARG 57 lone 2 81 - 2 - H ASP 71 - HA ARG 57 lone 2 100 - 2 - H THR 67 - HA ARG 57 lone 2 83 - 2 - H THR 15 - HA ARG 57 lone 2 99 - 2 - H THR 42 - HA ARG 57 lone 2 73 - 2 - Peak 5900 from cnoeabs.peaks (1.22, 2.16, 30.13 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.72: QG2 THR 59 + HB3 GLU 58 OK 65 99 - 65 - 5919/1.8=17, 5919=17...(7) HG13 ILE 16 + HB3 GLU 58 OK 21 100 - 20 - 5902/3.0=6, 5903/3.0=6...(4) HB3 LYS 41 - HB3 GLU 58 lone 4 78 - 5 - 5899/4.0=1, 5903/3.0=1 Peak 5901 from cnoeabs.peaks (1.23, 2.13, 30.13 ppm; 3.61 A): 2 out of 6 assignments used, quality = 0.72: QG2 THR 59 + HB2 GLU 58 OK 65 100 - 65 - 5919=22, 2744/4.6=15...(7) HG13 ILE 16 + HB2 GLU 58 OK 19 99 - 19 - 5902/3.0=6, 5903/3.0=5...(4) QG2 THR 59 - HB2 GLN 36 lone 3 34 - 9 - 5918/3.0=2, 5919=2...(4) HG3 LYS 86 - HB2 GLU 58 lone 2 76 - 2 - HG13 ILE 16 - HB2 GLN 36 lone 1 32 - 3 - HG3 LYS 86 - HB2 GLN 36 lone 1 21 - 3 - 5247/3.0=1 Peak 5902 from cnoeabs.peaks (1.22, 2.24, 36.21 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.79: QG2 THR 59 + HG2 GLU 58 OK 70 100 - 70 - 5901/3.0=25, 5900/3.0=25...(5) HG13 ILE 16 + HG2 GLU 58 OK 31 100 - 31 - 5903/1.8=9, 5900/3.0=8...(6) QG2 THR 59 - HG3 GLU 23 poor 9 62 - 15 - 4.0/262=6, 5926/854=2...(5) HB3 LYS 41 - HG2 GLU 58 lone 5 65 - 7 - 5900/3.0=2, 5903/1.8=2...(4) HG13 ILE 16 - HG3 GLU 23 lone 4 61 - 7 - ~4864=1, 4645/5.1=1 HB3 LYS 41 - HG3 GLU 23 lone 2 33 - 7 - 1.8/5466=1 HG3 LYS 86 - HG2 GLU 58 lone 2 65 - 3 - HG3 LYS 86 - HG3 GLU 23 lone 1 33 - 1 - Peak 5903 from cnoeabs.peaks (1.22, 2.31, 36.21 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.85: QG2 THR 59 + HG3 GLU 58 OK 78 99 - 79 - 5918=28, 5900/3.0=26...(6) HG13 ILE 16 + HG3 GLU 58 OK 31 100 - 31 - 5902/1.8=10, 5900/3.0=8...(5) HB3 LYS 41 - HG3 GLU 58 lone 5 78 - 7 - 5900/3.0=2, 5902/1.8=1...(4) QG2 THR 59 - HG2 GLU 23 poor 6 44 - 13 - 4.0/263=4, 5902/1.8=3...(5) HG13 ILE 16 - HG2 GLU 23 lone 3 45 - 6 - 5902/1.8=1, 4645/5.1=1 HB3 LYS 41 - HG2 GLU 23 lone 3 30 - 9 - ~5466=2, 5665/3.0=1, 5464/1.8=1 Peak 5911 from cnoeabs.peaks (1.42, 4.32, 70.98 ppm; 3.47 A): 4 out of 10 assignments used, quality = 0.67: HG3 LYS 61 + HB THR 59 OK 36 100 - 36 - 4.7/5924=9, 5921/2.1=5...(9) HG2 LYS 61 + HB THR 59 OK 36 100 - 36 - 4.7/5924=9, 5921/2.1=5...(9) HG2 LYS 63 + HB THR 59 OK 10 93 - 11 - 5921/2.1=2, 3.0/5912=2...(5) HG3 LYS 63 + HB THR 59 OK 10 93 - 11 - 5921/2.1=2, 3.0/5912=2...(5) HD3 LYS 86 - HB THR 59 lone 9 100 - 9 - ~5917=3, 5921/2.1=2...(4) HG3 LYS 94 - HB THR 59 lone 5 78 - 6 - HG2 LYS 41 - HB THR 59 lone 5 78 - 6 - 5921/2.1=1 HG13 ILE 51 - HB THR 59 lone 3 93 - 3 - 5935/4.4=1 HG3 LYS 45 - HB THR 59 lone 2 89 - 2 - QB ALA 78 - HB THR 59 lone 1 81 - 2 - Peak 5912 from cnoeabs.peaks (1.67, 4.32, 70.98 ppm; 3.91 A): 5 out of 18 assignments used, quality = 0.89: HD3 LYS 61 + HB THR 59 OK 43 93 - 47 - 3.0/5911=10, 3.0/5911=10...(10) HD2 LYS 61 + HB THR 59 OK 43 93 - 47 - 3.0/5911=10, 3.0/5911=10...(10) HB3 LYS 61 + HB THR 59 OK 43 98 - 44 - 3.6/5924=16, 3.0/5911=10...(7) HD3 LYS 35 + HB THR 59 OK 29 87 - 33 - 5240=6, 1.8/5239=5...(11) HD3 LYS 63 + HB THR 59 OK 15 93 - 16 - 3.0/5911=3, 3.0/5911=3...(7) HD3 LYS 94 - HB THR 59 lone 9 97 - 9 - 2.9/5911=1, 5920/2.1=1...(4) HD2 LYS 94 - HB THR 59 lone 9 97 - 9 - 2.9/5911=1, 5920/2.1=1...(4) HB2 MET 50 - HB THR 59 lone 7 89 - 7 - 5662/2.1=1, 3.0/2741=1 HG3 ARG 57 - HB THR 59 lone 6 95 - 7 - 5934/4.4=2, 5920/2.1=2, ~5920=2 HG2 ARG 57 - HB THR 59 lone 6 92 - 7 - 5934/4.4=2, 5920/2.1=2, ~5920=2 HD2 LYS 44 - HB THR 59 lone 6 93 - 6 - 3.0/5913=1, 3.0/5913=1 HD3 LYS 44 - HB THR 59 lone 6 92 - 6 - 3.0/5913=1, 3.0/5913=1 HB ILE 40 - HB THR 59 lone 4 92 - 4 - 3.2/5428=1 QB ALA 79 - HB THR 59 lone 3 100 - 3 - HG12 ILE 40 - HB THR 59 lone 2 65 - 3 - 2.1/5428=2 HG12 ILE 27 - HB THR 59 lone 1 98 - 1 - HG12 ILE 39 - HB THR 59 lone 1 71 - 1 - HG3 GLN 19 - HB THR 59 lone 1 83 - 1 - Peak 5913 from cnoeabs.peaks (3.00, 4.32, 70.98 ppm; 4.39 A): 5 out of 11 assignments used, quality = 0.80: HE3 LYS 61 + HB THR 59 OK 49 100 - 49 - 5916/2.1=10, 3.9/5911=10...(12) HE3 LYS 35 + HB THR 59 OK 27 81 - 33 - 3.0/5240=6, 5916/2.1=5...(12) HE2 LYS 35 + HB THR 59 OK 27 81 - 33 - 3.0/5240=6, 5916/2.1=5...(12) HE3 LYS 63 + HB THR 59 OK 15 83 - 18 - 5916/2.1=3, 3.5/5911=3...(7) HE2 LYS 63 + HB THR 59 OK 14 81 - 18 - 5916/2.1=3, 3.5/5911=3...(7) HE2 LYS 94 - HB THR 59 lone 8 85 - 9 - 5916/2.1=2, 3.0/5912=1...(5) HE2 LYS 44 - HB THR 59 lone 7 87 - 8 - 5916/2.1=2, ~5916=1 HE3 LYS 44 - HB THR 59 lone 7 85 - 8 - 5916/2.1=2, ~5916=1 HE3 LYS 94 - HB THR 59 lone 7 76 - 9 - 5916/2.1=2, 3.0/5912=1...(5) HE2 LYS 45 - HB THR 59 lone 4 100 - 4 - HE3 LYS 45 - HB THR 59 lone 4 100 - 4 - Peak 5916 from cnoeabs.peaks (3.00, 1.22, 20.87 ppm; 4.50 A): 5 out of 11 assignments used, quality = 0.75: HE3 LYS 61 + QG2 THR 59 OK 45 100 - 46 - 5913/2.1=11, 7.3/5944=7...(11) HE3 LYS 35 + QG2 THR 59 OK 22 81 - 27 - 5913/2.1=6, ~5913=4...(8) HE2 LYS 35 + QG2 THR 59 OK 22 81 - 27 - 5913/2.1=6, ~5913=4...(8) HE3 LYS 63 + QG2 THR 59 OK 15 83 - 18 - 5913/2.1=3, 3.5/5921=3...(7) HE2 LYS 63 + QG2 THR 59 OK 14 81 - 18 - 5913/2.1=3, 3.5/5921=3...(7) HE2 LYS 94 - QG2 THR 59 lone 8 85 - 9 - 5913/2.1=2, 3.0/5920=1...(5) HE3 LYS 94 - QG2 THR 59 lone 7 76 - 9 - 5913/2.1=2, 3.0/5920=1...(5) HE2 LYS 44 - QG2 THR 59 lone 7 87 - 8 - 5913/2.1=2, ~5913=1 HE3 LYS 44 - QG2 THR 59 lone 7 85 - 8 - 5913/2.1=2, ~5913=1 HE2 LYS 45 - QG2 THR 59 lone 4 100 - 4 - HE3 LYS 45 - QG2 THR 59 lone 4 100 - 4 - Peak 5917 from cnoeabs.peaks (2.45, 1.22, 20.87 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.67: HB3 ASP 56 + QG2 THR 59 OK 53 100 - 53 - 5905/4.0=20, 5932/4.2=19...(6) HE2 LYS 86 + QG2 THR 59 OK 31 100 - 30 - 5905/4.0=8, 5932/4.2=8...(8) HG2 GLN 36 - QG2 THR 59 poor 9 68 - 13 - 1.8/5918=5, 7180/2.1=3...(4) HG3 GLU 28 - QG2 THR 59 lone 4 85 - 4 - 5905/4.0=2 Peak 5918 from cnoeabs.peaks (2.30, 1.22, 20.87 ppm; 4.51 A): 3 out of 5 assignments used, quality = 0.84: HG3 GLU 58 + QG2 THR 59 OK 80 97 - 82 - 5903=30, 3.0/5901=28...(6) HB3 LYS 86 + QG2 THR 59 OK 12 81 - 15 - 4.7/5917=7, 3.4/5921=3, ~5911=2 HG3 GLN 36 + QG2 THR 59 OK 12 100 - 12 - ~7180=3, 1.8/5917=3...(4) HB3 PRO 73 - QG2 THR 59 lone 6 100 - 6 - 263/4.0=3 HG2 MET 50 - QG2 THR 59 lone 5 57 - 8 - 3.8/2745=1, 2.9/5662=1, ~2473=1 Peak 5919 from cnoeabs.peaks (2.14, 1.22, 20.87 ppm; 3.56 A): 3 out of 7 assignments used, quality = 0.91: HB2 GLU 58 + QG2 THR 59 OK 72 99 - 73 - 5901=33, 1.8/5900=25...(7) HB3 GLU 58 + QG2 THR 59 OK 63 89 - 71 - 5900=28, 1.8/5901=25...(7) HB3 LYS 35 + QG2 THR 59 OK 13 81 - 16 - ~4440=3, 4442/2.1=3...(7) HB2 GLN 36 - QG2 THR 59 lone 5 60 - 9 - 3.0/5918=2, 5901=2...(4) HB2 PRO 73 - QG2 THR 59 lone 3 73 - 4 - 261/4.0=1, 1.8/5918=1 HG3 GLU 65 - QG2 THR 59 lone 1 100 - 1 - HB2 GLN 19 - QG2 THR 59 lone 1 65 - 1 - Peak 5920 from cnoeabs.peaks (1.67, 1.22, 20.87 ppm; 4.14 A): 9 out of 17 assignments used, quality = 0.95: HD2 LYS 61 + QG2 THR 59 OK 47 97 - 49 - 6.0/5944=9, 2.9/5916=8...(10) HD3 LYS 61 + QG2 THR 59 OK 47 97 - 49 - 6.0/5944=9, 2.9/5916=8...(10) HB3 LYS 61 + QG2 THR 59 OK 42 95 - 45 - 3.6/5944=16, 3.0/5921=7...(7) HD3 LYS 35 + QG2 THR 59 OK 27 93 - 28 - 5240/2.1=7, ~5239=4...(9) HG3 ARG 57 + QG2 THR 59 OK 19 98 - 20 - 4.9/5926=15, 5934/4.2=3 HG2 ARG 57 + QG2 THR 59 OK 19 97 - 20 - 4.9/5926=15, 5934/4.2=3 HD3 LYS 63 + QG2 THR 59 OK 18 97 - 18 - 3.0/5916=3, 3.0/5916=3...(7) HD3 LYS 94 + QG2 THR 59 OK 11 99 - 10 - 5912/2.1=2, 3.0/5916=1...(5) HD2 LYS 94 + QG2 THR 59 OK 11 99 - 10 - 5912/2.1=2, 3.0/5916=1...(5) HB2 MET 50 - QG2 THR 59 lone 8 81 - 9 - 3.0/2745=1, 2.9/5918=1...(5) HD2 LYS 44 - QG2 THR 59 lone 7 97 - 7 - 3.0/5916=1, 3.0/5916=1 HD3 LYS 44 - QG2 THR 59 lone 7 97 - 7 - 3.0/5916=1, 3.0/5916=1 HB ILE 40 - QG2 THR 59 lone 4 97 - 4 - QB ALA 79 - QG2 THR 59 lone 4 100 - 4 - HG12 ILE 27 - QG2 THR 59 lone 2 95 - 2 - HG12 ILE 39 - QG2 THR 59 lone 1 81 - 1 - HG3 GLN 19 - QG2 THR 59 lone 1 73 - 1 - Peak 5921 from cnoeabs.peaks (1.42, 1.22, 20.87 ppm; 4.69 A): 6 out of 10 assignments used, quality = 0.93: HG3 LYS 61 + QG2 THR 59 OK 59 100 - 60 - 4.7/5944=17, 5911/2.1=14...(12) HG2 LYS 61 + QG2 THR 59 OK 59 100 - 60 - 4.7/5944=17, 5911/2.1=14...(13) HD3 LYS 86 + QG2 THR 59 OK 21 100 - 21 - 3.0/5917=10, 5911/2.1=4...(4) HG2 LYS 63 + QG2 THR 59 OK 21 93 - 22 - 5911/2.1=4, ~5911=3...(7) HG3 LYS 63 + QG2 THR 59 OK 21 93 - 22 - 5911/2.1=4, ~5911=3...(7) HG2 LYS 41 + QG2 THR 59 OK 11 78 - 14 - 5911/2.1=2, ~5481=2...(6) HG3 LYS 94 - QG2 THR 59 poor 9 78 - 11 - 5911/2.1=2, 3.7/5916=2...(5) HG13 ILE 51 - QG2 THR 59 lone 7 93 - 8 - 5935/4.2=3, 5911/2.1=1, ~5713=1 HG3 LYS 45 - QG2 THR 59 lone 4 89 - 5 - QB ALA 78 - QG2 THR 59 lone 3 81 - 3 - Peak 5923 from cnoeabs.peaks (7.79, 4.43, 61.33 ppm; 5.18 A): 0 out of 3 assignments used, low quality = 0.19: H ASN 91 - HA THR 59 OK 19 71 - 26 - 5922/3.0=13, 1104/3.6=7...(4) H ILE 37 - HA THR 59 lone 3 71 - 4 - 5292/3.0=2 H THR 99 - HA THR 59 lone 1 71 - 2 - Peak 5924 from cnoeabs.peaks (7.76, 4.32, 70.98 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.72: H LYS 61 + HB THR 59 OK 60 100 - 60 - 5944/2.1=22, 1104/4.4=18...(10) H ASN 91 + HB THR 59 OK 29 99 - 29 - 5925/2.1=9, 5922/4.0=8...(5) Peak 5925 from cnoeabs.peaks (7.76, 1.22, 20.87 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.90: H LYS 61 + QG2 THR 59 OK 81 100 - 82 - 5944=33, 5924/2.1=31...(11) H ASN 91 + QG2 THR 59 OK 47 99 - 47 - 5924/2.1=15, 5922/4.0=12...(6) Peak 5926 from cnoeabs.peaks (8.56, 1.22, 20.87 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.90: H GLU 58 + QG2 THR 59 OK 90 100 - 90 - 258/4.0=37, 5899=35...(9) H LEU 53 - QG2 THR 59 poor 8 76 - 10 - 5927/4.2=4, 258/4.0=2 Peak 5937 from cnoeabs.peaks (1.04, 3.77, 45.70 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.76: QG2 THR 55 + HA2 GLY 60 OK 65 99 - 66 - 7194=24, 7195/1.8=21...(5) HG12 ILE 51 + HA2 GLY 60 OK 24 81 - 29 - 5583/1.8=8, 5936/3.0=8...(7) HG12 ILE 51 + HA2 GLY 64 OK 11 30 - 38 - 5990/3.0=8, 5719/1.8=6...(10) QG2 THR 55 - HA2 GLY 64 poor 6 42 - 13 - 7194=6, 5990/3.0=5 Peak 5940 from cnoeabs.peaks (8.95, 4.36, 56.01 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.82: H ASP 56 + HA LEU 62 OK 63 100 - 63 - 5970/3.6=22, 3.6/7097=18...(7) H ASP 56 + HA LYS 61 OK 45 63 - 72 - 5873/2.9=25, 5883=19...(13) H VAL 18 + HA LEU 62 OK 10 98 - 10 - 3.6/4659=2, 5970/3.6=2...(5) H PHE 70 - HA LEU 62 poor 10 89 - 11 - 5970/3.6=4, 3.0/7097=2 H SER 96 - HA LEU 62 lone 9 89 - 10 - 451/4.0=2, 5970/3.6=2...(4) H VAL 18 - HA LYS 61 poor 9 60 - 14 - 3.6/4659=3, 5938/2.9=2...(6) H ALA 66 - HA LEU 62 poor 7 71 - 10 - 5872/3.6=3, 5883=2 H ALA 66 - HA LYS 61 poor 4 38 - 10 - 5873/2.9=1, 5883=1 H SER 96 - HA LYS 61 lone 4 50 - 8 - 6941/3.0=1 H PHE 70 - HA LYS 61 lone 3 50 - 7 - 5938/2.9=2 Peak 5948 from cnoeabs.peaks (4.25, 1.89, 41.38 ppm; 5.19 A): 3 out of 8 assignments used, quality = 0.90: HA3 GLY 64 + HB2 LEU 62 OK 61 100 - 61 - 3.0/5964=19, ~5983=12...(10) HA LYS 63 + HB2 LEU 62 OK 60 68 - 88 - 3.0/283=20, ~282=19...(17) HA VAL 68 + HB2 LEU 62 OK 35 100 - 35 - 6116/3.1=8, ~6125=5...(12) HA ILE 37 - HB2 LEU 62 poor 10 85 - 11 - 4.7/5949=6, ~745=1 HA ALA 79 - HB2 LEU 62 poor 8 76 - 11 - ~6475=3, 5950/1.8=1...(6) HA3 GLY 85 - HB2 LEU 62 lone 6 87 - 7 - ~6648=2, 5950/1.8=2, ~6647=1 HA LYS 45 - HB2 LEU 62 lone 5 100 - 5 - HA GLU 58 - HB2 LEU 62 lone 5 83 - 6 - ~5966=2, 3.0/253=1 Peak 5949 from cnoeabs.peaks (4.12, 1.89, 41.38 ppm; 3.81 A): 3 out of 8 assignments used, quality = 0.79: HA GLU 23 + HB2 LEU 62 OK 60 100 - 60 - 4860=23, 4862/3.1=18...(8) HA3 GLY 22 + HB2 LEU 62 OK 29 98 - 30 - 5952/1.8=7, 5954/3.1=4...(11) HA GLN 36 + HB2 LEU 62 OK 27 97 - 28 - 5952/1.8=7, 4860=6...(7) HB2 SER 96 - HB2 LEU 62 lone 10 98 - 9 - 5952/1.8=2, 5954/3.1=2...(5) HB THR 67 - HB2 LEU 62 lone 7 90 - 8 - 5952/1.8=2, ~6079=1, 5954/3.1=1 HB THR 15 - HB2 LEU 62 lone 6 95 - 6 - 5952/1.8=1 HA THR 99 - HB2 LEU 62 lone 3 81 - 3 - HA ILE 39 - HB2 LEU 62 lone 1 60 - 1 - Peak 5950 from cnoeabs.peaks (4.27, 1.53, 41.38 ppm; 5.07 A): 5 out of 8 assignments used, quality = 0.95: HA LYS 63 + HB3 LEU 62 OK 84 100 - 85 - 3.0/4256=21, ~282=18...(18) HA3 GLY 64 + HB3 LEU 62 OK 38 63 - 61 - 3.0/5965=14, ~5964=14...(13) HA VAL 68 + HB3 LEU 62 OK 28 78 - 35 - 6116/3.1=6, ~6125=4...(14) HA3 GLY 85 + HB3 LEU 62 OK 13 100 - 12 - 3.6/4256=4, 3.0/6648=2...(4) HA ALA 79 + HB3 LEU 62 OK 11 100 - 11 - ~6475=3, 6486/3.1=2...(4) HA GLU 58 - HB3 LEU 62 lone 6 100 - 6 - ~5966=2 HA LYS 45 - HB3 LEU 62 lone 5 73 - 6 - 3.0/790=1 HD2 PRO 73 - HB3 LEU 62 lone 2 99 - 2 - Peak 5952 from cnoeabs.peaks (4.12, 1.53, 41.38 ppm; 4.00 A): 4 out of 8 assignments used, quality = 0.84: HA GLU 23 + HB3 LEU 62 OK 63 100 - 63 - 4861=24, 4860/1.8=20...(8) HA3 GLY 22 + HB3 LEU 62 OK 33 98 - 34 - 5949/1.8=8, 3.0/4256=6...(11) HA GLN 36 + HB3 LEU 62 OK 29 97 - 30 - 5949/1.8=8, 4861=7...(7) HB2 SER 96 + HB3 LEU 62 OK 11 98 - 11 - 5949/1.8=3, 6949/3.1=2...(6) HB THR 67 - HB3 LEU 62 lone 7 90 - 8 - 5949/1.8=2, ~6079=1, 5954/3.1=1 HB THR 15 - HB3 LEU 62 lone 6 95 - 6 - 5949/1.8=2 HA THR 99 - HB3 LEU 62 lone 3 81 - 3 - HA ILE 39 - HB3 LEU 62 lone 1 60 - 1 - Peak 5953 from cnoeabs.peaks (4.12, 1.81, 27.33 ppm; 5.27 A): 4 out of 8 assignments used, quality = 0.95: HA GLU 23 + HG LEU 62 OK 69 99 - 71 - 4862/2.1=32, 4861/3.0=22...(7) HA VAL 25 + HG LEU 62 OK 50 65 - 77 - ~5963=24, ~4893=24...(13) HA3 GLY 22 + HG LEU 62 OK 47 93 - 51 - 5952/3.0=9, 5949/3.0=9...(11) HA GLN 36 + HG LEU 62 OK 39 99 - 39 - 5949/3.0=9, 5952/3.0=8...(8) HB2 SER 96 - HG LEU 62 OK 17 93 - 18 - 6949/2.1=4, 5952/3.0=3...(6) HB THR 15 - HG LEU 62 OK 11 99 - 10 - 5952/3.0=2, 5949/3.0=2...(5) HB THR 67 - HG LEU 62 poor 9 81 - 11 - 5949/3.0=2, 5952/3.0=2...(5) HA THR 99 - HG LEU 62 lone 5 90 - 5 - Peak 5954 from cnoeabs.peaks (4.12, 1.00, 26.12 ppm; 3.95 A): 5 out of 8 assignments used, quality = 0.92: HA GLU 23 + QD1 LEU 62 OK 68 99 - 69 - 4862=32, 4860/3.1=15...(10) HA VAL 25 + QD1 LEU 62 OK 39 65 - 60 - 3.0/5963=23, 3.2/4902=20...(12) HA3 GLY 22 + QD1 LEU 62 OK 34 93 - 36 - 5949/3.1=6, 5952/3.1=6...(11) HA GLN 36 + QD1 LEU 62 OK 32 99 - 32 - 4862=8, 5949/3.1=6...(7) HB2 SER 96 + QD1 LEU 62 OK 13 93 - 13 - 5949/3.1=2, 5952/3.1=2...(7) HB THR 67 - QD1 LEU 62 lone 8 81 - 9 - 4.4/6114=3, 5949/3.1=1 HB THR 15 - QD1 LEU 62 lone 7 99 - 7 - 5949/3.1=1, 5952/3.1=1 HA THR 99 - QD1 LEU 62 lone 3 90 - 3 - Peak 5955 from cnoeabs.peaks (1.70, 0.84, 23.71 ppm; 3.49 A): 7 out of 34 assignments used, quality = 0.86: HB2 LEU 53 + QD2 LEU 62 OK 60 81 - 75 - 1.8/5956=17, 3.1/7100=16...(15) HD3 LYS 61 + QD2 LEU 62 OK 22 87 - 25 - 4.8/2873=3, 4250/4.5=3...(8) HD2 LYS 61 + QD2 LEU 62 OK 22 87 - 25 - 4.8/2873=3, 4250/4.5=3...(8) HB2 LEU 53 + QG2 VAL 30 OK 16 37 - 43 - 5817=7, 3.1/5821=6...(13) HD3 LYS 63 + QD2 LEU 62 OK 12 87 - 14 - 5.9/286=5, 4251/4.5=2...(4) HB ILE 40 + QD2 LEU 62 OK 10 89 - 11 - 3.2/7100=5, ~7099=2, 5957/2.1=1 HB ILE 40 + QG2 VAL 30 OK 10 42 - 25 - 2011/4.2=7, 3.2/7100=5...(7) HD2 LYS 94 - QD2 LEU 62 poor 10 78 - 12 - 6.1/5967=1, 5957/2.1=1...(4) HD3 LYS 94 - QD2 LEU 62 poor 10 78 - 12 - 6.1/5967=1, 5957/2.1=1...(4) HB ILE 80 - QG2 VAL 30 poor 8 37 - 22 - 3.2/3390=3, ~5111=3...(11) HB ILE 80 - QD2 LEU 62 lone 7 81 - 8 - 3.2/3390=1, 6501/2.1=1, ~6505=1 HD2 LYS 45 - QD2 LEU 62 lone 6 100 - 5 - HD3 LYS 45 - QD2 LEU 62 lone 6 100 - 5 - HD3 LYS 35 - QD2 LEU 62 lone 6 93 - 6 - 6.3/5967=1, 5.1/5961=1 HG12 ILE 39 - QG2 VAL 30 lone 4 51 - 7 - 4153/4.2=5 HG2 ARG 57 - QD2 LEU 62 lone 3 89 - 4 - 4.9/5966=1 HG3 ARG 57 - QD2 LEU 62 lone 3 85 - 4 - 4.9/5966=1 HD2 LYS 77 - QD2 LEU 62 lone 3 100 - 3 - HD3 LYS 44 - QD2 LEU 62 lone 3 89 - 3 - HD2 LYS 44 - QD2 LEU 62 lone 3 87 - 3 - HG12 ILE 39 - QD2 LEU 62 lone 2 99 - 2 - HD2 LYS 77 - QG2 VAL 30 lone 2 53 - 4 - 4.6/6418=1 HD3 LYS 35 - QG2 VAL 30 lone 2 45 - 4 - 6.3/5225=1 HD3 LYS 63 - QG2 VAL 30 lone 1 40 - 3 - 5.9/286=1 HD3 LYS 94 - QG2 VAL 30 lone 1 35 - 3 - HD2 LYS 94 - QG2 VAL 30 lone 1 35 - 3 - HD2 LYS 61 - QG2 VAL 30 lone 1 40 - 2 - HD3 LYS 61 - QG2 VAL 30 lone 1 40 - 2 - HD3 LYS 44 - QG2 VAL 30 lone 1 42 - 2 - HD2 LYS 44 - QG2 VAL 30 lone 1 40 - 2 - HD3 LYS 45 - QG2 VAL 30 lone 1 53 - 1 - HD2 LYS 45 - QG2 VAL 30 lone 1 53 - 1 - HG2 ARG 57 - QG2 VAL 30 lone 0 42 - 1 - HG3 ARG 57 - QG2 VAL 30 lone 0 39 - 1 - Peak 5956 from cnoeabs.peaks (1.39, 0.84, 23.71 ppm; 3.15 A): 4 out of 14 assignments used, quality = 0.80: HB3 LEU 53 + QD2 LEU 62 OK 64 100 - 65 - 3.1/7100=13, 5819=11...(14) HB3 LEU 53 + QG2 VAL 30 OK 20 53 - 38 - 5819=7, 1.8/5817=5...(13) HG2 LYS 61 + QD2 LEU 62 OK 17 63 - 27 - 5.0/2872=10, 5958/2.1=4...(9) HG3 LYS 61 + QD2 LEU 62 OK 16 60 - 27 - 5.0/2872=10, 5958/2.1=4...(9) QB ALA 78 - QD2 LEU 62 lone 9 99 - 9 - 6455=2, 5958/2.1=1 QB ALA 78 - QG2 VAL 30 poor 9 52 - 17 - 6455=4, 6455/2.1=3...(7) HG2 LYS 41 - QG2 VAL 30 lone 5 52 - 10 - ~7084=2, 2076/4.2=1...(4) HG3 LYS 45 - QD2 LEU 62 lone 4 97 - 4 - HG2 LYS 41 - QD2 LEU 62 lone 3 100 - 3 - HD3 LYS 86 - QD2 LEU 62 lone 2 60 - 3 - HG3 LYS 45 - QG2 VAL 30 lone 1 49 - 2 - HG2 LYS 61 - QG2 VAL 30 lone 1 27 - 3 - 5.0/878=1 HG3 LYS 61 - QG2 VAL 30 lone 1 25 - 3 - 5.0/878=1 HD3 LYS 86 - QG2 VAL 30 lone 0 25 - 1 - Peak 5957 from cnoeabs.peaks (1.69, 1.00, 26.12 ppm; 4.58 A): 5 out of 18 assignments used, quality = 0.91: HB2 LEU 53 + QD1 LEU 62 OK 61 68 - 90 - 3.1/5962=37, 3.1/7099=33...(16) HD3 LYS 61 + QD1 LEU 62 OK 38 95 - 40 - 3.0/5958=7, 3.0/5958=7...(8) HD2 LYS 61 + QD1 LEU 62 OK 38 95 - 40 - 3.0/5958=7, 3.0/5958=7...(8) HD3 LYS 63 + QD1 LEU 62 OK 23 95 - 25 - 5.9/287=13, 4250/4.5=4...(4) HB ILE 40 + QD1 LEU 62 OK 20 96 - 20 - 3.2/7099=7, ~7100=4...(6) HD3 LYS 94 - QD1 LEU 62 OK 18 89 - 20 - 6.1/5968=3, 5955/2.1=2...(5) HD2 LYS 94 - QD1 LEU 62 OK 18 89 - 20 - 6.1/5968=3, 5955/2.1=2...(5) QB ALA 79 - QD1 LEU 62 OK 13 68 - 18 - 3.7/6496=3, 6465/5963=2...(8) HD3 LYS 35 - QD1 LEU 62 OK 11 98 - 11 - 5.1/5959=4, 6.3/5968=3 HB ILE 80 - QD1 LEU 62 OK 11 68 - 15 - 4.0/6496=3, 3.2/6505=2...(8) HD2 LYS 45 - QD1 LEU 62 lone 9 98 - 9 - 2.9/5958=1, 5955/2.1=1 HD3 LYS 45 - QD1 LEU 62 lone 9 99 - 8 - 2.9/5958=1, 5955/2.1=1 HG2 ARG 57 - QD1 LEU 62 lone 7 96 - 7 - 3.9/5888=3 HG3 ARG 57 - QD1 LEU 62 lone 7 93 - 7 - 3.9/5888=3 HD3 LYS 44 - QD1 LEU 62 lone 5 96 - 5 - HD2 LYS 44 - QD1 LEU 62 lone 5 95 - 5 - HD2 LYS 77 - QD1 LEU 62 lone 5 99 - 5 - 3.7/4898=1 HG12 ILE 39 - QD1 LEU 62 lone 4 100 - 4 - Peak 5958 from cnoeabs.peaks (1.40, 1.00, 26.12 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.91: HB3 LEU 53 + QD1 LEU 62 OK 80 95 - 85 - 3.1/5962=30, 3.1/7099=28...(16) HG2 LYS 61 + QD1 LEU 62 OK 33 85 - 39 - 5.0/2879=18, 5956/2.1=5...(8) HG3 LYS 61 + QD1 LEU 62 OK 32 83 - 39 - 5.0/2879=18, 5956/2.1=4...(8) QB ALA 78 - QD1 LEU 62 lone 9 100 - 8 - 5956/2.1=3, 4.7/6475=1, ~6451=1 HG3 LYS 45 - QD1 LEU 62 lone 6 100 - 6 - 5956/2.1=1 HD3 LYS 86 - QD1 LEU 62 lone 5 83 - 6 - 5.7/4259=1 HG2 LYS 41 - QD1 LEU 62 lone 4 100 - 4 - Peak 5959 from cnoeabs.peaks (4.94, 1.00, 26.12 ppm; 4.10 A): 4 out of 5 assignments used, quality = 0.76: HA ASN 24 + QD1 LEU 62 OK 44 98 - 45 - 3.6/5963=22, 2.9/4868=16...(6) HA ASN 52 + QD1 LEU 62 OK 38 100 - 39 - 5961/2.1=8, 2.9/5968=8...(13) HA LYS 35 + QD1 LEU 62 OK 19 76 - 25 - 3.0/5968=5, ~5967=3...(9) HA VAL 95 + QD1 LEU 62 OK 15 73 - 20 - 5961/2.1=3, ~6903=2...(10) HA VAL 18 - QD1 LEU 62 lone 6 81 - 7 - 5961/2.1=1 Peak 5960 from cnoeabs.peaks (4.81, 0.84, 23.71 ppm; 3.44 A): 3 out of 6 assignments used, quality = 0.54: HA THR 55 + QD2 LEU 62 OK 36 97 - 38 - 3.2/5870=14, 7097/4.0=8...(7) HA ILE 51 + QD2 LEU 62 OK 16 99 - 16 - 3.6/5967=4, 7097/4.0=3...(6) HA ILE 51 + QG2 VAL 30 OK 13 52 - 26 - ~5043=5, ~5732=4...(8) HA PHE 70 - QD2 LEU 62 lone 8 98 - 8 - 3.0/6233=1 HA THR 55 - QG2 VAL 30 poor 7 48 - 14 - 3.2/5870=4, 3.0/5871=2...(5) HA PHE 70 - QG2 VAL 30 poor 6 50 - 11 - 3.0/6233=2, 3.0/6238=2...(4) Peak 5961 from cnoeabs.peaks (4.94, 0.84, 23.71 ppm; 4.93 A): 6 out of 10 assignments used, quality = 0.89: HA ASN 52 + QD2 LEU 62 OK 60 99 - 60 - 3.6/5966=22, 5959/2.1=14...(12) HA ASN 24 + QD2 LEU 62 OK 40 100 - 41 - 5959/2.1=16, ~4868=16...(7) HA VAL 95 + QD2 LEU 62 OK 25 85 - 29 - 5959/2.1=6, 3.0/6903=5...(11) HA LYS 35 + QD2 LEU 62 OK 22 63 - 35 - 5959/2.1=7, 3.0/5967=7...(13) HA ASN 52 + QG2 VAL 30 OK 12 51 - 23 - 2.9/7218=7, 3.6/5966=6...(6) HA VAL 95 + QG2 VAL 30 OK 10 39 - 26 - 3.0/6903=3, ~4904=3...(11) HA VAL 18 - QD2 LEU 62 lone 9 90 - 9 - 5959/2.1=2 HA LYS 35 - QG2 VAL 30 poor 5 27 - 20 - 3.0/5225=5, 3.6/5245=4...(5) HA VAL 18 - QG2 VAL 30 poor 4 43 - 10 - 4059/4.2=2, 3.6/43=2 HA ASN 24 - QG2 VAL 30 lone 3 53 - 6 - 3.6/674=1 Peak 5962 from cnoeabs.peaks (0.62, 1.00, 26.12 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 53 + QD1 LEU 62 OK 76 93 - 81 - 2.1/7099=33, 5052/2.1=15...(20) Peak 5963 from cnoeabs.peaks (6.84, 1.00, 26.12 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.73: H VAL 25 + QD1 LEU 62 OK 69 100 - 69 - 4893=33, 3.9/4902=16...(14) QE TYR 54 + QD1 LEU 62 OK 14 100 - 13 - 5786/5962=2, 5788/7099=2...(6) HZ PHE 70 - QD1 LEU 62 poor 9 78 - 12 - 1544/4902=2, 5405/7099=1 Peak 5964 from cnoeabs.peaks (8.34, 1.89, 41.38 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.84: H GLY 64 + HB2 LEU 62 OK 66 98 - 68 - 1107/4.4=17, 5983/3.0=16...(12) H LYS 35 + HB2 LEU 62 OK 23 99 - 23 - 5965/1.8=7, 1107/4.4=4...(7) H LYS 94 + HB2 LEU 62 OK 22 92 - 23 - 5965/1.8=9, 1107/4.4=4...(6) H ASN 52 + HB2 LEU 62 OK 20 68 - 30 - 5965/1.8=8, 232/3.1=6...(6) H ASP 32 - HB2 LEU 62 lone 5 65 - 7 - 1107/4.4=2, 1152/3.0=1 H LYS 45 - HB2 LEU 62 lone 3 65 - 5 - 1107/4.4=1 Peak 5965 from cnoeabs.peaks (8.35, 1.53, 41.38 ppm; 4.19 A): 4 out of 4 assignments used, quality = 0.82: H GLY 64 + HB3 LEU 62 OK 47 76 - 62 - 5964/1.8=14, 1107/4.4=12...(12) H LYS 94 + HB3 LEU 62 OK 33 100 - 33 - 1033=5, 5964/1.8=5...(10) H ASN 52 + HB3 LEU 62 OK 31 96 - 32 - 232/3.1=9, 5967/3.1=7...(7) H LYS 35 + HB3 LEU 62 OK 25 99 - 25 - 5967/3.1=5, 5964/1.8=5...(7) Peak 5966 from cnoeabs.peaks (8.58, 0.84, 23.71 ppm; 4.69 A): 2 out of 4 assignments used, quality = 0.64: H LEU 53 + QD2 LEU 62 OK 57 100 - 57 - 4.6/7100=17, 4.0/5956=16...(8) H LEU 53 + QG2 VAL 30 OK 17 53 - 32 - 4.6/5821=7, 4.0/5817=6...(8) H GLU 58 - QD2 LEU 62 lone 7 85 - 8 - 2581/7100=1, 2560/5956=1 H GLU 58 - QG2 VAL 30 lone 2 39 - 4 - Peak 5967 from cnoeabs.peaks (8.36, 0.84, 23.71 ppm; 4.34 A): 7 out of 8 assignments used, quality = 0.93: H ASN 52 + QD2 LEU 62 OK 56 99 - 56 - 4.6/5966=14, 232/2.1=11...(9) H LYS 35 + QD2 LEU 62 OK 39 95 - 40 - 5968/2.1=6, 5965/3.1=6...(15) H GLY 64 + QD2 LEU 62 OK 35 63 - 56 - 4.7/286=12, 5965/3.1=11...(13) H LYS 94 + QD2 LEU 62 OK 33 100 - 33 - 5965/3.1=8, 5968/2.1=6...(8) H LYS 35 + QG2 VAL 30 OK 20 46 - 43 - 4.3/4682=6, 5225=5...(11) H ASN 52 + QG2 VAL 30 OK 17 51 - 34 - 7218=8, 3.6/5960=5...(9) H LYS 94 + QG2 VAL 30 OK 14 53 - 27 - 6868/4.2=5, 6859/3.2=5...(7) H GLY 64 - QG2 VAL 30 poor 5 27 - 17 - 4.6/6003=3, 4.7/286=3...(5) Peak 5968 from cnoeabs.peaks (8.36, 1.00, 26.12 ppm; 4.98 A): 4 out of 5 assignments used, quality = 0.90: H ASN 52 + QD1 LEU 62 OK 59 100 - 59 - 2.9/5959=13...(12) H ASN 24 + QD1 LEU 62 OK 40 63 - 65 - 3.6/4862=25, 4.6/5963=24...(7) H LYS 35 + QD1 LEU 62 OK 35 89 - 39 - 5967/2.1=8, 5965/3.1=7...(10) H LYS 94 + QD1 LEU 62 OK 34 99 - 35 - 5965/3.1=9, 5967/2.1=7...(10) H ASN 14 - QD1 LEU 62 lone 2 63 - 4 - Peak 5972 from cnoeabs.peaks (7.17, 4.27, 56.09 ppm; 5.21 A): 4 out of 4 assignments used, quality = 0.96: QD TYR 54 + HA LYS 63 OK 81 100 - 81 - ~7108=25, ~7106=23...(13) H GLU 65 + HA LYS 63 OK 47 76 - 62 - 4.6/289=30, 5971/3.0=13...(8) QE PHE 97 + HA LYS 63 OK 44 100 - 43 - 5971/3.0=7, 5974/3.0=6...(13) HZ PHE 97 + HA LYS 63 OK 37 89 - 42 - 5971/3.0=7, 5974/3.0=6...(12) Peak 5973 from cnoeabs.peaks (7.15, 1.88, 33.95 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.93: QD TYR 54 + HB2 LYS 63 OK 63 76 - 83 - 2.5/7106=28, ~7108=23...(19) H GLU 65 + HB2 LYS 63 OK 57 100 - 58 - 298/4.7=19, 6004/1.8=16...(10) HZ PHE 97 + HB2 LYS 63 OK 34 100 - 34 - 5974/1.8=6, ~5974=4...(13) QE PHE 97 + HB2 LYS 63 OK 31 90 - 34 - 5974/1.8=6, ~5974=4...(12) HH2 TRP 82 - HB2 LYS 63 lone 2 92 - 2 - Peak 5974 from cnoeabs.peaks (7.16, 1.53, 33.95 ppm; 4.47 A): 4 out of 5 assignments used, quality = 0.96: QD TYR 54 + HB3 LYS 63 OK 74 87 - 85 - 2.5/7108=33, ~7106=22...(19) H GLU 65 + HB3 LYS 63 OK 64 97 - 66 - 298/4.7=19, 6004=19...(11) HZ PHE 97 + HB3 LYS 63 OK 36 100 - 36 - 5973/1.8=7, ~5973=4...(13) QE PHE 97 + HB3 LYS 63 OK 36 97 - 37 - 5973/1.8=7, ~5973=5...(13) HH2 TRP 82 - HB3 LYS 63 lone 2 83 - 2 - Peak 5975 from cnoeabs.peaks (7.16, 1.43, 25.09 ppm; 4.54 A): 2 out of 20 assignments used, quality = 0.98: QD TYR 54 + HG2 LYS 63 OK 88 95 - 93 - ~7108=19, ~7210=18...(28) QD TYR 54 + HG3 LYS 63 OK 88 95 - 93 - ~7108=19, ~7210=18...(28) H GLU 65 - HG3 LYS 63 OK 45 92 - 49 - 6004/2.9=12, 5973/2.9=10...(8) H GLU 65 - HG2 LYS 63 OK 45 92 - 49 - 6004/2.9=12, 5973/2.9=10...(8) QE PHE 97 - HG2 LYS 63 OK 42 99 - 42 - 5974/2.9=6, 7216/3.0=5...(16) QE PHE 97 - HG3 LYS 63 OK 42 99 - 42 - 5974/2.9=6, 7216/3.0=5...(16) HZ PHE 97 - HG2 LYS 63 OK 38 98 - 39 - 5973/2.9=6, 5974/2.9=6...(14) HZ PHE 97 - HG3 LYS 63 OK 38 98 - 39 - 5973/2.9=6, 5974/2.9=6...(14) QD TYR 54 - HG3 LYS 61 OK 37 78 - 48 - 4704/3.0=6, 2.5/7109=5...(20) QD TYR 54 - HG2 LYS 61 OK 36 76 - 48 - 4704/3.0=6, 2.5/7109=5...(20) H GLU 65 - HG3 LYS 61 lone 5 75 - 7 - 4.6/292=2, 6002=1 H GLU 65 - HG2 LYS 61 lone 5 73 - 7 - 4.6/293=1, 6002=1 QE PHE 97 - HG3 LYS 61 lone 3 85 - 4 - QE PHE 97 - HG2 LYS 61 lone 3 83 - 4 - HZ PHE 97 - HG3 LYS 61 lone 3 82 - 3 - HZ PHE 97 - HG2 LYS 61 lone 3 81 - 3 - HH2 TRP 82 - HG3 LYS 63 lone 2 71 - 2 - HH2 TRP 82 - HG2 LYS 63 lone 2 71 - 2 - HH2 TRP 82 - HG3 LYS 61 lone 1 55 - 2 - HH2 TRP 82 - HG2 LYS 61 lone 1 53 - 2 - Peak 5976 from cnoeabs.peaks (8.95, 1.43, 25.09 ppm; 4.12 A): 4 out of 20 assignments used, quality = 0.93: H ASP 56 + HG3 LYS 61 OK 51 86 - 59 - 5873/4.7=14, 5883/3.9=10...(16) H ASP 56 + HG2 LYS 61 OK 49 84 - 59 - 5873/4.7=14, 5883/3.9=10...(16) H ASP 56 + HG3 LYS 63 OK 45 100 - 46 - 5970/4.9=13, ~7103=7...(12) H ASP 56 + HG2 LYS 63 OK 45 100 - 46 - 5970/4.9=13, ~7103=7...(12) H VAL 18 - HG2 LYS 63 OK 18 98 - 19 - 4.5/4652=3, 4711=3...(7) H VAL 18 - HG3 LYS 63 OK 18 98 - 19 - 4.5/4652=3, 4711=3...(7) H ALA 66 - HG3 LYS 63 poor 9 71 - 13 - 4.6/6002=4, 5872/4.9=2, 5886=1 H ALA 66 - HG2 LYS 63 poor 9 71 - 13 - 4.6/6002=4, 5872/4.9=2, 5886=1 H VAL 18 - HG3 LYS 61 poor 9 82 - 10 - 4.5/4652=2, 634/3.0=1...(5) H VAL 18 - HG2 LYS 61 lone 7 81 - 9 - 4.5/4652=2, 634/3.0=1...(5) H PHE 70 - HG2 LYS 63 lone 7 89 - 7 - 5970/4.9=3, 3.0/7102=1 H PHE 70 - HG3 LYS 63 lone 7 89 - 7 - 5970/4.9=3, 3.0/7102=1 H SER 96 - HG3 LYS 63 lone 7 89 - 7 - 4.6/442=2 H SER 96 - HG2 LYS 63 lone 7 89 - 7 - 4.6/442=2 H ALA 66 - HG3 LYS 61 lone 4 55 - 7 - H ALA 66 - HG2 LYS 61 lone 4 53 - 7 - H SER 96 - HG3 LYS 61 lone 4 71 - 5 - H SER 96 - HG2 LYS 61 lone 3 69 - 5 - H PHE 70 - HG3 LYS 61 lone 3 71 - 4 - 5938/4.7=1 H PHE 70 - HG2 LYS 61 lone 3 69 - 4 - 5938/4.7=1 Peak 5979 from cnoeabs.peaks (8.00, 3.74, 46.08 ppm; 3.98 A): 4 out of 8 assignments used, quality = 0.86: H GLY 22 + HA2 GLY 64 OK 58 100 - 59 - 4835/1.8=17, 4847/3.0=9...(12) H LYS 63 + HA2 GLY 64 OK 40 100 - 41 - 1107/3.0=20, ~289=12...(5) H PHE 34 + HA2 GLY 64 OK 35 92 - 38 - 1163=9, 1086/3.0=7...(11) H LYS 86 + HA2 GLY 64 OK 13 98 - 13 - 288/3.0=2, 6013/3.6=2...(6) H LYS 63 - HA2 GLY 60 lone 3 44 - 6 - 5977/7194=5 H PHE 34 - HA2 GLY 60 lone 2 37 - 5 - 1163=1 H GLY 22 - HA2 GLY 60 lone 1 44 - 3 - H LYS 86 - HA2 GLY 60 lone 1 42 - 1 - Peak 5980 from cnoeabs.peaks (8.47, 3.74, 46.08 ppm; 4.53 A): 4 out of 18 assignments used, quality = 0.83: H LEU 21 + HA2 GLY 64 OK 69 100 - 69 - 4798/1.8=15, 4.7/5994=15...(9) H ILE 93 + HA2 GLY 64 OK 27 95 - 29 - 3.0/6830=5, 5981/1.8=5...(10) H ALA 98 + HA2 GLY 64 OK 12 100 - 12 - 7018/5994=3, 5981/1.8=2...(5) H THR 42 + HA2 GLY 64 OK 12 100 - 11 - 778=2, 4.6/7084=2...(4) H PHE 83 - HA2 GLY 64 lone 9 98 - 9 - 5981/1.8=2, 1208/4.9=1 H THR 15 - HA2 GLY 64 lone 8 93 - 9 - 5981/1.8=2, 4.0/5984=1 H ASP 72 - HA2 GLY 64 lone 4 99 - 4 - H TRP 82 - HA2 GLY 64 lone 3 73 - 4 - H ASP 71 - HA2 GLY 64 lone 3 85 - 4 - H THR 42 - HA2 GLY 60 lone 3 45 - 6 - 3.6/5470=3, 4.6/7084=1 H LEU 21 - HA2 GLY 60 lone 2 45 - 4 - H ILE 93 - HA2 GLY 60 lone 1 39 - 3 - H ASP 71 - HA2 GLY 60 lone 1 33 - 3 - H ASP 72 - HA2 GLY 60 lone 1 42 - 2 - H ALA 98 - HA2 GLY 60 lone 1 44 - 2 - H THR 15 - HA2 GLY 60 lone 1 38 - 2 - H PHE 83 - HA2 GLY 60 lone 1 42 - 1 - H TRP 82 - HA2 GLY 60 lone 1 27 - 2 - Peak 5981 from cnoeabs.peaks (8.46, 4.24, 46.08 ppm; 4.29 A): 5 out of 18 assignments used, quality = 0.83: H LEU 21 + HA3 GLY 64 OK 65 100 - 65 - 4798=17, 5980/1.8=15...(10) H ILE 93 + HA3 GLY 64 OK 24 98 - 24 - 5980/1.8=6, ~6830=3...(10) H LEU 21 + HA3 GLY 85 OK 16 59 - 27 - 6670/3.6=6, 4798=6...(10) H PHE 83 + HA3 GLY 85 OK 14 52 - 28 - 6670/3.6=8, 6641/3.0=7...(7) H ALA 98 + HA3 GLY 64 OK 11 98 - 12 - 5980/1.8=3, 7018/5997=2 H ILE 93 - HA3 GLY 85 poor 9 55 - 17 - 6670/3.6=6, 6641/3.0=2...(5) H PHE 83 - HA3 GLY 64 lone 9 95 - 10 - 5980/1.8=2, 1208/4.9=1 H THR 15 - HA3 GLY 64 lone 7 97 - 7 - 5980/1.8=2, 4.0/5988=1 H ASP 72 - HA3 GLY 85 poor 6 53 - 12 - 6279/1.8=3, ~6283=3...(4) H THR 42 - HA3 GLY 64 lone 6 99 - 6 - 5980/1.8=3 H ALA 98 - HA3 GLY 85 poor 6 55 - 10 - 6641/3.0=3, 6670/3.6=3 H TRP 82 - HA3 GLY 85 poor 4 30 - 12 - 6641/3.0=3, 4.6/1208=2...(5) H TRP 82 - HA3 GLY 64 lone 3 63 - 5 - H ASP 71 - HA3 GLY 64 lone 3 92 - 3 - H THR 42 - HA3 GLY 85 lone 3 57 - 5 - 6670/3.6=2, 6641/3.0=2 H ASP 72 - HA3 GLY 64 lone 3 96 - 3 - H THR 15 - HA3 GLY 85 lone 2 55 - 4 - 6670/3.6=1 H ASP 71 - HA3 GLY 85 lone 1 49 - 3 - Peak 5982 from cnoeabs.peaks (8.00, 4.24, 46.08 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.55: H LYS 86 + HA3 GLY 85 OK 55 55 - 100 - 3.6=100 Peak 5984 from cnoeabs.peaks (1.15, 3.74, 46.08 ppm; 3.84 A): 3 out of 12 assignments used, quality = 0.92: HB3 LEU 21 + HA2 GLY 64 OK 71 100 - 71 - 3.1/5993=14, 5988/1.8=13...(16) HB2 LEU 21 + HA2 GLY 64 OK 71 100 - 71 - 3.1/5993=14, 5988/1.8=13...(15) HG13 ILE 37 + HA2 GLY 64 OK 11 71 - 15 - 5989/3.0=2, 5988/1.8=2...(5) HG13 ILE 27 - HA2 GLY 64 lone 8 99 - 8 - 5988/1.8=2, 5989/3.0=1 QG2 THR 15 - HA2 GLY 64 lone 6 100 - 6 - 5988/1.8=1, 4.0/5980=1 HB3 LEU 21 - HA2 GLY 60 lone 1 45 - 2 - HB2 LEU 21 - HA2 GLY 60 lone 1 44 - 2 - QG2 THR 46 - HA2 GLY 64 lone 1 71 - 1 - HG13 ILE 27 - HA2 GLY 60 lone 1 43 - 1 - QG2 THR 15 - HA2 GLY 60 lone 1 44 - 1 - HG13 ILE 37 - HA2 GLY 60 lone 0 26 - 1 - QG2 THR 46 - HA2 GLY 60 lone 0 26 - 1 - Peak 5985 from cnoeabs.peaks (1.98, 4.24, 46.08 ppm; 5.06 A): 6 out of 16 assignments used, quality = 0.85: HB VAL 25 + HA3 GLY 64 OK 64 95 - 68 - ~4905=21, 2.1/4906=18...(12) HG2 GLN 19 + HA3 GLY 64 OK 31 100 - 32 - 4743/3.6=16, ~4737=6...(5) HB2 GLU 65 + HA3 GLY 64 OK 12 100 - 12 - 3.0/6006=3, 49/7113=1...(4) HB2 LYS 77 + HA3 GLY 64 OK 11 100 - 11 - 7124/3.6=1, 4909/5997=1...(5) HB2 GLU 65 + HA3 GLY 85 OK 11 59 - 19 - ~6650=5, 3.0/6006=3...(5) HG3 PRO 74 + HA3 GLY 85 OK 10 58 - 18 - ~6339=5, ~6651=4...(7) HB3 GLU 28 - HA3 GLY 64 lone 10 100 - 10 - 4.4/7113=4, ~4415=2 HB2 GLU 23 - HA3 GLY 64 poor 8 71 - 12 - ~4855=2, 4827/4835=2...(6) HB VAL 25 - HA3 GLY 85 lone 5 52 - 10 - 2.1/4906=4, 7153/3.6=1 HG2 PRO 49 - HA3 GLY 64 lone 5 76 - 7 - 5742/5722=2 HG3 PRO 74 - HA3 GLY 64 lone 3 100 - 3 - HG2 GLN 19 - HA3 GLY 85 lone 2 58 - 4 - HB2 LYS 77 - HA3 GLY 85 lone 2 59 - 4 - HB3 GLU 28 - HA3 GLY 85 lone 2 59 - 3 - HG2 PRO 49 - HA3 GLY 85 lone 1 38 - 3 - HB2 GLU 23 - HA3 GLY 85 lone 1 35 - 2 - Peak 5986 from cnoeabs.peaks (1.87, 4.24, 46.08 ppm; 5.15 A): 5 out of 24 assignments used, quality = 0.90: HB2 LYS 63 + HA3 GLY 64 OK 65 98 - 67 - 4261/3.0=24, ~289=21...(11) HB2 LEU 62 + HA3 GLY 64 OK 52 83 - 63 - 5964/3.0=15, 5948=12...(11) HB ILE 16 + HA3 GLY 85 OK 17 50 - 34 - ~6645=10, 6651/1.8=8...(8) HB ILE 37 + HA3 GLY 64 OK 17 89 - 19 - 3.0/1943=3, 3.0/1936=3...(7) HD3 LYS 77 + HA3 GLY 64 OK 11 100 - 10 - 6426/5997=2, 3.7/5985=2...(4) HB ILE 16 - HA3 GLY 64 poor 10 93 - 11 - 4585/5997=2, ~5991=2, 2.1/5995=1 HB ILE 27 - HA3 GLY 64 lone 10 99 - 10 - 2.8/5988=2, ~5984=2...(5) HB2 PRO 92 - HA3 GLY 85 poor 9 58 - 15 - ~6650=6, 6651/1.8=4...(5) HB2 PRO 92 - HA3 GLY 64 lone 8 100 - 8 - 4.1/5981=4 HB2 LYS 63 - HA3 GLY 85 poor 7 55 - 13 - 2896/3.6=4, ~6648=2...(4) HB2 GLU 87 - HA3 GLY 64 lone 7 96 - 7 - 4.0/7113=3 HB3 LYS 44 - HA3 GLY 85 poor 6 55 - 10 - ~5544=3, ~6651=2...(4) HB2 LYS 44 - HA3 GLY 85 poor 6 53 - 10 - ~5544=3, ~6651=2...(4) HB2 ARG 57 - HA3 GLY 64 lone 5 78 - 6 - 3.0/5889=2, 5890/4.9=1 HB3 ARG 57 - HA3 GLY 64 lone 5 78 - 6 - 3.0/5889=2, 5890/4.9=1 HB3 LYS 44 - HA3 GLY 64 lone 4 98 - 4 - HB2 LYS 44 - HA3 GLY 64 lone 4 96 - 4 - HB ILE 37 - HA3 GLY 85 lone 4 47 - 9 - 6651/1.8=2, 3.0/5282=2...(4) HB2 GLU 87 - HA3 GLY 85 lone 3 53 - 7 - 4.0/7113=3 HB2 LEU 62 - HA3 GLY 85 lone 3 42 - 7 - ~6648=2, 1.8/5950=2...(4) HD3 LYS 77 - HA3 GLY 85 lone 2 58 - 4 - HB ILE 27 - HA3 GLY 85 lone 2 57 - 3 - HB2 ARG 57 - HA3 GLY 85 lone 1 39 - 4 - HB3 ARG 57 - HA3 GLY 85 lone 1 39 - 4 - Peak 5987 from cnoeabs.peaks (1.53, 4.24, 46.08 ppm; 5.73 A): 3 out of 22 assignments used, quality = 0.97: HB3 LYS 63 + HA3 GLY 64 OK 79 100 - 80 - ~289=26, ~4261=22...(14) HB3 LEU 62 + HA3 GLY 64 OK 74 99 - 76 - ~5964=17, 5965/3.0=16...(14) HB3 LYS 94 + HA3 GLY 85 OK 48 59 - 83 - ~6870=25, ~6627=22...(11) HG13 ILE 93 - HA3 GLY 64 OK 35 95 - 37 - ~5992=8, 2.1/5995=7...(9) HB3 LYS 94 - HA3 GLY 64 OK 32 100 - 32 - 6004/3.6=6, 3864/3.0=5...(9) HD2 LYS 86 - HA3 GLY 85 OK 25 56 - 45 - 3602/3.6=25, ~6652=9...(7) HG2 LYS 94 - HA3 GLY 64 OK 17 63 - 27 - ~3884=4, ~3864=3, ~291=3...(7) HG13 ILE 93 - HA3 GLY 85 OK 15 52 - 30 - 7130/3.0=11, 6810/3.6=10...(5) HD2 LYS 86 - HA3 GLY 64 OK 13 99 - 13 - 6004/3.6=2, 291/3.0=2...(6) HG2 LYS 94 - HA3 GLY 85 OK 13 30 - 43 - 7130/3.0=15, ~6647=10...(6) HG2 LYS 45 - HA3 GLY 64 OK 12 85 - 14 - 2277/3.0=3, ~2287=2, 1.8/2288=1 HB3 LYS 63 - HA3 GLY 85 OK 10 58 - 18 - 2906/3.6=6, 6648/3.0=2...(5) HB3 LEU 62 - HA3 GLY 85 poor 8 56 - 14 - 4256/3.6=4, 6648/3.0=2...(5) HB3 GLU 87 - HA3 GLY 64 poor 8 71 - 11 - 4.0/7113=3, 6004/3.6=2 HG2 LYS 45 - HA3 GLY 85 poor 7 44 - 15 - ~6646=4, ~5551=3...(4) HG3 LYS 44 - HA3 GLY 64 lone 6 83 - 8 - HG3 LYS 41 - HA3 GLY 64 lone 6 68 - 9 - ~7084=2, ~5473=1 HB3 PRO 49 - HA3 GLY 64 lone 5 60 - 8 - 5762/5719=2, 6004/3.6=1 HB3 GLU 87 - HA3 GLY 85 poor 4 35 - 12 - 4.0/7113=4, 996/3.6=4, ~6650=1 HG3 LYS 44 - HA3 GLY 85 lone 4 42 - 9 - ~6651=2, ~6652=2 HG3 LYS 41 - HA3 GLY 85 lone 3 33 - 10 - 7130/3.0=3, 6810/3.6=3, ~6652=1 HB3 PRO 49 - HA3 GLY 85 lone 1 29 - 5 - Peak 5988 from cnoeabs.peaks (1.15, 4.24, 46.08 ppm; 3.94 A): 3 out of 12 assignments used, quality = 0.95: HB3 LEU 21 + HA3 GLY 64 OK 75 100 - 75 - 5984/1.8=16, 3.1/5996=13...(17) HB2 LEU 21 + HA3 GLY 64 OK 75 100 - 75 - 5984/1.8=16, 3.1/5996=13...(17) HG13 ILE 37 + HA3 GLY 64 OK 12 71 - 17 - 5984/1.8=2, 1.8/1936=2...(6) HB3 LEU 21 - HA3 GLY 85 poor 9 59 - 16 - ~6649=3, 4.0/4798=3...(6) HB2 LEU 21 - HA3 GLY 85 poor 9 59 - 16 - ~6649=3, 4.0/4798=3...(6) HG13 ILE 27 - HA3 GLY 64 lone 9 99 - 9 - 5984/1.8=2, 5989/3.0=1 QG2 THR 15 - HA3 GLY 64 lone 8 100 - 8 - 5984/1.8=1 HG13 ILE 37 - HA3 GLY 85 lone 2 35 - 7 - 1.8/5282=2, ~6651=1 QG2 THR 46 - HA3 GLY 85 lone 1 35 - 4 - ~6642=1 QG2 THR 15 - HA3 GLY 85 lone 1 59 - 2 - HG13 ILE 27 - HA3 GLY 85 lone 1 57 - 2 - QG2 THR 46 - HA3 GLY 64 lone 1 71 - 1 - Peak 5992 from cnoeabs.peaks (0.80, 3.74, 46.08 ppm; 4.34 A): 4 out of 10 assignments used, quality = 0.91: QG1 VAL 25 + HA2 GLY 64 OK 70 100 - 70 - 4905=27, 4881/3.0=17...(12) QG2 VAL 25 + HA2 GLY 64 OK 50 81 - 62 - 2.1/4905=23, ~4906=11...(13) QD1 ILE 93 + HA2 GLY 64 OK 36 98 - 36 - 5995/1.8=5, 6850/5994=4...(15) QG2 ILE 40 + HA2 GLY 64 OK 11 85 - 13 - 5995/1.8=2, 5450/5993=2...(5) QD1 LEU 53 - HA2 GLY 64 lone 5 63 - 8 - 5827/5993=2, ~5781=2 QG1 VAL 25 - HA2 GLY 60 lone 3 44 - 6 - 4882/3.0=3, 4902/7194=1 QD1 ILE 93 - HA2 GLY 60 lone 1 42 - 3 - QG2 VAL 25 - HA2 GLY 60 lone 1 30 - 4 - ~4882=2 QG2 ILE 40 - HA2 GLY 60 lone 1 33 - 3 - QD1 LEU 53 - HA2 GLY 60 lone 1 22 - 3 - ~5780=1 Peak 5993 from cnoeabs.peaks (0.29, 3.74, 46.08 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.90: QD1 LEU 21 + HA2 GLY 64 OK 86 97 - 89 - 2.1/5994=27, 5996/1.8=23...(20) QG2 VAL 68 + HA2 GLY 64 OK 28 100 - 29 - 5996/1.8=10, 4911/4905=3...(8) QG2 VAL 68 - HA2 GLY 60 lone 4 44 - 8 - 6170/3.0=3, 6123/5718=2 QD1 LEU 21 - HA2 GLY 60 lone 3 41 - 6 - Peak 5994 from cnoeabs.peaks (-0.20, 3.74, 46.08 ppm; 5.40 A): 2 out of 4 assignments used, quality = 0.86: QD2 LEU 21 + HA2 GLY 64 OK 83 92 - 90 - 2.1/5993=31, 5997/1.8=22...(21) QD1 ILE 80 + HA2 GLY 64 OK 17 76 - 23 - 5997/1.8=6, 61/5979=2...(8) QD2 LEU 21 - HA2 GLY 60 lone 2 37 - 5 - QD1 ILE 80 - HA2 GLY 60 lone 1 28 - 3 - Peak 5995 from cnoeabs.peaks (0.80, 4.24, 46.08 ppm; 4.44 A): 5 out of 10 assignments used, quality = 0.93: QG1 VAL 25 + HA3 GLY 64 OK 68 97 - 70 - 4905/1.8=25, 4906=19...(13) QG2 VAL 25 + HA3 GLY 64 OK 59 90 - 65 - ~4905=17, 2.1/4906=15...(14) QD1 ILE 93 + HA3 GLY 64 OK 31 93 - 33 - 5992/1.8=8, 6850/5997=4...(12) QD1 ILE 93 + HA3 GLY 85 OK 16 50 - 32 - 6658/3.6=17, ~7130=5...(6) QG2 ILE 40 + HA3 GLY 64 OK 13 93 - 14 - 5992/1.8=2, 5450/5996=2...(6) QG1 VAL 25 - HA3 GLY 85 poor 8 55 - 15 - 6658/3.6=6, 4906=4 QG2 ILE 16 - HA3 GLY 85 poor 8 30 - 27 - ~6645=7, ~6651=6...(7) QG2 ILE 16 - HA3 GLY 64 poor 6 63 - 10 - 6003/3.6=2, 5991/3.0=1...(4) QG2 VAL 25 - HA3 GLY 85 lone 4 48 - 9 - 2.1/4906=3, 6658/3.6=2 QG2 ILE 40 - HA3 GLY 85 lone 4 50 - 8 - 6658/3.6=2, 5413/1.8=2...(4) Peak 5996 from cnoeabs.peaks (0.30, 4.24, 46.08 ppm; 4.87 A): 3 out of 4 assignments used, quality = 0.84: QD1 LEU 21 + HA3 GLY 64 OK 73 85 - 86 - 5993/1.8=27, 2.1/5997=20...(20) QG2 VAL 68 + HA3 GLY 64 OK 31 100 - 32 - 5993/1.8=9, 6123/5717=4...(14) QD1 LEU 21 + HA3 GLY 85 OK 13 44 - 30 - ~6649=7, 2.1/5997=5...(8) QG2 VAL 68 - HA3 GLY 85 lone 5 58 - 8 - ~6146=2 Peak 5997 from cnoeabs.peaks (-0.19, 4.24, 46.08 ppm; 5.43 A): 3 out of 4 assignments used, quality = 0.92: QD2 LEU 21 + HA3 GLY 64 OK 88 100 - 88 - 5994/1.8=28, 2.1/5996=26...(18) QD1 ILE 80 + HA3 GLY 64 OK 23 98 - 23 - 5994/1.8=6, 61/4835=2...(7) QD2 LEU 21 + HA3 GLY 85 OK 20 59 - 34 - ~6649=8, 4074/3.6=6...(8) QD1 ILE 80 - HA3 GLY 85 poor 6 55 - 11 - 6533/6644=1 Peak 5998 from cnoeabs.peaks (1.63, 5.51, 52.75 ppm; 4.55 A): 3 out of 8 assignments used, quality = 0.90: HG3 GLN 19 + HA GLU 65 OK 67 93 - 72 - 1.8/4738=29, 3.0/4739=23...(10) HB VAL 18 + HA GLU 65 OK 65 100 - 65 - 2.1/4703=29, 4701=18...(13) HG12 ILE 40 + HA GLU 65 OK 11 99 - 11 - 6035/3.6=2, 4811/6001=2...(4) HG12 ILE 27 - HA GLU 65 poor 9 71 - 12 - 2.1/5999=4, 6035/3.6=1...(4) HB2 MET 50 - HA GLU 65 lone 5 89 - 6 - HD3 LYS 41 - HA GLU 65 lone 4 99 - 4 - HD2 LYS 41 - HA GLU 65 lone 4 99 - 4 - HB3 LYS 61 - HA GLU 65 lone 3 71 - 4 - 6035/3.6=1 Peak 5999 from cnoeabs.peaks (0.96, 5.51, 52.75 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.72: QB ALA 66 + HA GLU 65 OK 67 100 - 67 - 2.9/302=41, ~303=9...(12) QG1 VAL 95 + HA GLU 65 OK 14 90 - 15 - 4714/4701=4, 4821/6001=3...(5) QD1 ILE 27 - HA GLU 65 poor 9 90 - 10 - 4821/6001=2, 2.1/5998=2...(4) Peak 6000 from cnoeabs.peaks (0.85, 5.51, 52.75 ppm; 4.97 A): 7 out of 9 assignments used, quality = 0.90: QG1 VAL 18 + HA GLU 65 OK 51 78 - 65 - 4703=31, 2.1/4701=23...(10) QG2 VAL 30 + HA GLU 65 OK 31 100 - 31 - 2.1/2986=7, 5107/6001=5...(10) QG1 VAL 30 + HA GLU 65 OK 30 99 - 31 - 2.1/2986=7, 5109/6001=5...(9) QG2 ILE 16 + HA GLU 65 OK 25 87 - 28 - 4622=5, 5320/3.6=5...(10) QG2 ILE 80 + HA GLU 65 OK 21 100 - 21 - 6542/3.6=9, 6003/3.0=3...(4) QD1 ILE 51 + HA GLU 65 OK 16 73 - 21 - 6032/3.6=6, 5760/6001=3...(8) QD2 LEU 62 + HA GLU 65 OK 14 97 - 14 - 6003/3.0=4, ~6004=3...(4) QG2 ILE 37 - HA GLU 65 lone 8 100 - 8 - 6032/3.6=1, 6003/3.0=1 QG2 THR 42 - HA GLU 65 lone 3 65 - 4 - 4.0/6014=1 Peak 6001 from cnoeabs.peaks (0.29, 5.51, 52.75 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.74: QD1 LEU 21 + HA GLU 65 OK 63 97 - 65 - 4791=30, 6034/3.6=14...(11) QG2 VAL 68 + HA GLU 65 OK 29 100 - 29 - 6034/3.6=12, 6130/3.9=3...(7) Peak 6005 from cnoeabs.peaks (4.76, 5.51, 52.75 ppm; 3.44 A): 3 out of 3 assignments used, quality = 0.77: HA GLN 19 + HA GLU 65 OK 61 99 - 62 - 7138=21, 3.6/4764=14...(11) HA TYR 54 + HA GLU 65 OK 33 99 - 33 - 7141/3.6=9, 6007/3.9=6...(9) HA PHE 97 + HA GLU 65 OK 11 100 - 11 - 7141/3.6=3, 3.6/6014=2...(5) Peak 6006 from cnoeabs.peaks (4.27, 2.14, 36.27 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.64: HA LYS 63 + HG3 GLU 65 OK 36 100 - 36 - ~7114=13, 5972/4.8=8...(6) HA3 GLY 85 + HG3 GLU 65 OK 28 100 - 28 - ~6650=9, 6653/1.8=5...(8) HA3 GLY 64 + HG3 GLU 65 OK 22 65 - 34 - 3.6/898=27, 6653/1.8=2...(4) HA VAL 68 - HG3 GLU 65 poor 9 81 - 11 - ~6130=5, ~6139=3 HD2 PRO 73 - HG3 GLU 65 lone 7 99 - 7 - 4.8/6297=2, 4.8/6296=2 HA ALA 79 - HG3 GLU 65 lone 5 100 - 5 - 2.1/6018=2 HA GLU 58 - HG3 GLU 65 lone 4 100 - 4 - HA LYS 45 - HG3 GLU 65 lone 2 76 - 3 - Peak 6007 from cnoeabs.peaks (4.77, 2.14, 36.27 ppm; 4.55 A): 3 out of 4 assignments used, quality = 0.81: HA GLN 19 + HG3 GLU 65 OK 54 92 - 59 - 7138/3.9=22, 6689/1.8=14...(11) HA TYR 54 + HG3 GLU 65 OK 52 100 - 53 - 6689/1.8=14, 7141/5.0=11...(9) HA PHE 97 + HG3 GLU 65 OK 15 99 - 15 - 6689/1.8=4, 6005/3.9=4...(5) HA THR 55 - HG3 GLU 65 lone 3 71 - 4 - Peak 6008 from cnoeabs.peaks (7.04, 5.51, 52.75 ppm; 5.00 A): 3 out of 6 assignments used, quality = 0.92: HZ PHE 17 + HA GLU 65 OK 82 99 - 82 - 4783/3.9=23, 4788/3.0=19...(15) QE PHE 17 + HA GLU 65 OK 49 65 - 75 - 6009/3.0=14, ~4789=13...(14) QD PHE 70 + HA GLU 65 OK 16 97 - 16 - 4709/3.6=4, 6009/3.0=1...(6) HZ3 TRP 82 - HA GLU 65 lone 10 100 - 9 - 6009/3.0=2, 6012/3.9=2...(4) HD22 ASN 91 - HA GLU 65 lone 7 98 - 7 - 6009/3.0=1, 6011/3.9=1...(4) HD21 ASN 13 - HA GLU 65 lone 6 78 - 7 - 6050/3.6=1 Peak 6009 from cnoeabs.peaks (7.03, 1.98, 33.99 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.96: HZ PHE 17 + HB2 GLU 65 OK 85 100 - 85 - 4788=24, 4783/3.0=23...(16) QE PHE 17 + HB2 GLU 65 OK 74 87 - 85 - 2.2/4788=20, 4785=15...(18) HE22 GLN 19 - HB2 GLU 65 OK 11 76 - 15 - 6012/3.0=3, 6.6/641=3...(6) HZ3 TRP 82 - HB2 GLU 65 lone 10 100 - 9 - 6012/3.0=2, 6008/3.0=1...(4) QD PHE 70 - HB2 GLU 65 lone 8 85 - 9 - 4709/4.4=3, 6008/3.0=2...(4) HD22 ASN 91 - HB2 GLU 65 lone 7 100 - 6 - 6008/3.0=1, 6011/3.0=1 HD21 ASN 13 - HB2 GLU 65 lone 5 95 - 5 - Peak 6010 from cnoeabs.peaks (7.02, 1.82, 33.99 ppm; 4.62 A): 2 out of 7 assignments used, quality = 0.97: QE PHE 17 + HB3 GLU 65 OK 87 100 - 88 - 2.2/4789=20, 4785/1.8=17...(18) HZ PHE 17 + HB3 GLU 65 OK 77 90 - 86 - 4789=26, 4783/3.0=25...(15) HE22 GLN 19 - HB3 GLU 65 OK 13 98 - 14 - 549/3.0=4, ~541=3...(5) HZ3 TRP 82 - HB3 GLU 65 lone 8 85 - 9 - 6009/1.8=2, 6012/3.0=2...(5) HD22 ASN 91 - HB3 GLU 65 lone 6 93 - 6 - 6009/1.8=1 HD21 ASN 13 - HB3 GLU 65 lone 5 100 - 5 - HD21 ASN 24 - HB3 GLU 65 lone 1 76 - 1 - Peak 6011 from cnoeabs.peaks (7.04, 2.19, 36.27 ppm; 4.74 A): 2 out of 14 assignments used, quality = 0.95: HZ PHE 17 + HG2 GLU 65 OK 86 100 - 86 - 4783=25, 7061/1.8=24...(15) QE PHE 17 + HG2 GLU 65 OK 65 76 - 86 - 2.2/4783=21, ~7061=17...(17) HD22 ASN 91 - HG3 GLU 87 OK 25 96 - 26 - 4.6/6690=18, 5.7/6747=5...(4) HE22 GLN 19 - HG2 GLU 65 OK 19 63 - 30 - 4.6/7176=12, 5.6/6689=6...(7) HZ3 TRP 82 - HG2 GLU 65 OK 12 100 - 12 - 6012/1.8=2, 6009/3.0=2...(7) QD PHE 70 - HG2 GLU 65 OK 10 93 - 11 - 4709/5.0=3, 6008/3.9=2...(4) HD22 ASN 91 - HG2 GLU 65 lone 9 100 - 9 - 4.6/6690=1, 6012/1.8=1...(4) HE22 GLN 19 - HG3 GLU 87 poor 9 57 - 16 - 4.6/7176=7, 4.6/7177=5 HD21 ASN 13 - HG2 GLU 65 lone 5 87 - 5 - HZ PHE 17 - HG3 GLU 87 lone 4 96 - 4 - QE PHE 17 - HG3 GLU 87 lone 3 70 - 4 - QD PHE 70 - HG3 GLU 87 lone 2 87 - 3 - HZ3 TRP 82 - HG3 GLU 87 lone 2 97 - 2 - HD21 ASN 13 - HG3 GLU 87 lone 2 80 - 2 - Peak 6012 from cnoeabs.peaks (7.03, 2.14, 36.27 ppm; 4.74 A): 2 out of 7 assignments used, quality = 0.97: HZ PHE 17 + HG3 GLU 65 OK 87 100 - 88 - 4783/1.8=32, 7061=26...(15) QE PHE 17 + HG3 GLU 65 OK 74 87 - 86 - ~4783=22, 2.2/7061=22...(16) HE22 GLN 19 - HG3 GLU 65 OK 24 76 - 32 - 3.5/6018=9, 5.6/6007=9...(9) HZ3 TRP 82 - HG3 GLU 65 OK 12 100 - 11 - 6011/1.8=2, 2.4/3006=2...(7) QD PHE 70 - HG3 GLU 65 lone 9 85 - 10 - 4709/5.0=3, 6008/3.9=2...(4) HD22 ASN 91 - HG3 GLU 65 lone 7 100 - 7 - 6011/1.8=2, 6009/3.0=1 HD21 ASN 13 - HG3 GLU 65 lone 5 95 - 5 - Peak 6014 from cnoeabs.peaks (8.47, 5.51, 52.75 ppm; 4.99 A): 3 out of 9 assignments used, quality = 0.76: H LEU 21 + HA GLU 65 OK 63 100 - 63 - 4797=28, 4.6/4764=23...(6) H ALA 98 + HA GLU 65 OK 20 100 - 20 - 3.6/6005=5, 2.9/7003=3...(7) H ILE 93 + HA GLU 65 OK 19 95 - 20 - 4797=5, 1072/4764=5...(6) H PHE 83 - HA GLU 65 lone 9 98 - 10 - 6608/5999=2, 4687/4703=1...(4) H THR 15 - HA GLU 65 lone 7 93 - 7 - 4.6/22=1, 1473/6001=1 H ASP 71 - HA GLU 65 lone 6 85 - 7 - 4.4/6008=2 H THR 42 - HA GLU 65 lone 6 100 - 5 - H ASP 72 - HA GLU 65 lone 4 99 - 4 - H TRP 82 - HA GLU 65 lone 3 73 - 4 - Peak 6016 from cnoeabs.peaks (8.22, 5.51, 52.75 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.80: H GLY 20 + HA GLU 65 OK 78 99 - 78 - 4764=39, 3.6/7138=25...(14) H SER 29 + HA GLU 65 OK 11 97 - 11 - 4781/6001=2, 4066/4738=2...(4) H GLU 87 - HA GLU 65 lone 6 68 - 9 - 5.0/2986=2, 1005/3.9=1 H ASP 12 - HA GLU 65 lone 3 98 - 3 - Peak 6017 from cnoeabs.peaks (2.83, 1.98, 33.99 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.85: HB2 TYR 54 + HB2 GLU 65 OK 76 99 - 77 - 5841=15, 7174/3.7=12...(16) HB2 PHE 17 + HB2 GLU 65 OK 37 95 - 40 - 4.4/4785=11, 5.8/4788=11...(6) HB2 ASP 72 - HB2 GLU 65 lone 8 95 - 8 - 6297/3.0=2, 7174/3.7=2, ~6296=1 HB3 TYR 33 - HB2 GLU 65 lone 7 90 - 8 - 7174/3.7=5 Peak 6018 from cnoeabs.peaks (1.65, 2.14, 36.27 ppm; 4.88 A): 4 out of 11 assignments used, quality = 0.73: HG3 GLN 19 + HG3 GLU 65 OK 43 100 - 44 - 4.1/6007=13, ~7176=13...(9) HB VAL 18 + HG3 GLU 65 OK 37 95 - 40 - 4701/3.9=19, 6035/5.0=10...(6) HD3 LYS 94 + HG3 GLU 65 OK 13 65 - 20 - 3.4/6866=7, 3.4/6865=5...(4) HD2 LYS 94 + HG3 GLU 65 OK 13 65 - 20 - 3.4/6866=7, 3.4/6865=5...(4) HG12 ILE 27 - HG3 GLU 65 lone 8 99 - 8 - ~4984=2, ~4983=1...(4) HG12 ILE 40 - HG3 GLU 65 lone 8 97 - 8 - 6035/5.0=2, 5998/3.9=2 QB ALA 79 - HG3 GLU 65 lone 4 87 - 5 - 6035/5.0=2, 2.1/6006=1 HB3 LYS 61 - HG3 GLU 65 lone 4 99 - 4 - HB2 MET 50 - HG3 GLU 65 lone 3 100 - 3 - HD2 LYS 41 - HG3 GLU 65 lone 2 73 - 3 - HD3 LYS 41 - HG3 GLU 65 lone 2 73 - 3 - Peak 6020 from cnoeabs.peaks (0.72, 5.59, 50.67 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.94: QG2 ILE 51 + HA ALA 66 OK 89 100 - 90 - 5716=47, 4.1/5775=30...(18) QG2 ILE 93 + HA ALA 66 OK 38 100 - 38 - 6027/2.1=10, 6103/3.6=8...(9) QD1 ILE 40 + HA ALA 66 OK 13 68 - 19 - 6103/3.6=5, 4823/4792=3...(5) Peak 6021 from cnoeabs.peaks (0.62, 5.59, 50.67 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 53 + HA ALA 66 OK 91 99 - 92 - 5800=45, 6028/2.1=36...(16) Peak 6022 from cnoeabs.peaks (0.29, 5.59, 50.67 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 21 + HA ALA 66 OK 81 99 - 81 - 4792=38, 4821/2.1=26...(15) QG2 VAL 68 + HA ALA 66 OK 72 99 - 73 - 6105/3.6=17, 6034/3.0=16...(15) Peak 6023 from cnoeabs.peaks (1.46, 5.59, 50.67 ppm; 4.60 A): 3 out of 10 assignments used, quality = 0.98: QG2 THR 67 + HA ALA 66 OK 82 98 - 83 - 4.0/308=39, 3.2/6076=29...(15) HB ILE 51 + HA ALA 66 OK 70 100 - 71 - 2.1/5716=33, 4.4/5775=25...(15) HG12 ILE 80 + HA ALA 66 OK 57 98 - 59 - 6503/2.1=13, ~6504=10...(16) HG13 ILE 51 - HA ALA 66 OK 34 63 - 54 - 3.2/5716=28, ~6027=11...(13) QB ALA 31 - HA ALA 66 OK 13 100 - 13 - ~5083=3, 7178/2.1=2...(4) HG3 LYS 63 - HA ALA 66 poor 7 63 - 11 - 4705/4698=3, 5830/5847=2 HG2 LYS 63 - HA ALA 66 poor 7 63 - 11 - 4705/4698=3, 5830/5847=2 HG3 LYS 94 - HA ALA 66 lone 6 83 - 7 - 3884/5775=1, ~304=1 HB2 LYS 41 - HA ALA 66 lone 4 99 - 4 - HG2 LYS 44 - HA ALA 66 lone 3 97 - 3 - Peak 6024 from cnoeabs.peaks (2.60, 5.59, 50.67 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.98: HB3 ASN 52 + HA ALA 66 OK 84 100 - 85 - 4.0/5775=30, 4.3/5794=24...(12) HB2 ASN 52 + HA ALA 66 OK 84 99 - 85 - 4.0/5775=30, 4.3/5794=24...(12) HB2 ASP 71 - HA ALA 66 OK 13 97 - 13 - 6084/3.6=3, 6038/2.1=2...(4) HB3 ASP 32 - HA ALA 66 lone 3 73 - 4 - HB3 ASP 12 - HA ALA 66 lone 2 68 - 2 - Peak 6026 from cnoeabs.peaks (0.83, 0.96, 23.80 ppm; 2.74 A): 7 out of 16 assignments used, quality = 0.86: QG2 ILE 80 + QG1 VAL 95 OK 34 58 - 59 - 3.2/6499=10, 6517/2.1=7...(19) QG2 ILE 16 + QG1 VAL 95 OK 29 62 - 47 - 3.1/4599=10, 2.1/4583=9...(14) QG2 ILE 80 + QB ALA 66 OK 27 97 - 28 - 3.2/6499=4, 3.0/6505=4...(8) QG2 ILE 16 + QB ALA 66 OK 25 100 - 25 - 3.1/4599=5, 2.1/4583=4...(8) QG2 VAL 30 + QB ALA 66 OK 21 95 - 23 - 5052/6028=4, 2.1/4904=3...(7) QG1 VAL 30 + QB ALA 66 OK 18 99 - 19 - 4904=3, 3.9/5039=2...(5) QG2 VAL 25 + QB ALA 66 OK 12 90 - 13 - 5112/6028=4, 4904=3, 4913/4821=2 QD2 LEU 62 - QB ALA 66 lone 10 100 - 10 - 5052/6028=3, 5966/5816=1 QG1 VAL 30 - QG1 VAL 95 poor 9 60 - 15 - 4904=3, 5068/4688=1, 5109/4821=1 QG2 VAL 30 - QG1 VAL 95 poor 9 54 - 17 - 2.1/4904=2, 5052/6028=1 QD2 LEU 62 - QG1 VAL 95 poor 6 62 - 10 - 6903/4.0=1, 5961/3.2=1 QG2 ILE 37 - QB ALA 66 lone 6 92 - 6 - QG2 VAL 25 - QG1 VAL 95 poor 6 51 - 11 - 4904=3, ~6906=2...(4) QG2 ILE 37 - QG1 VAL 95 lone 5 52 - 10 - 2.1/4583=1, 6490/6475=1 QG2 ILE 40 - QB ALA 66 lone 5 87 - 6 - QG2 ILE 40 - QG1 VAL 95 lone 2 48 - 4 - Peak 6027 from cnoeabs.peaks (0.72, 0.96, 23.80 ppm; 3.07 A): 3 out of 4 assignments used, quality = 0.71: QG2 ILE 51 + QB ALA 66 OK 46 100 - 47 - 5716/2.1=12...(11) QG2 ILE 93 + QG1 VAL 95 OK 32 62 - 51 - 3.1/6853=11, 6846/2.1=10...(17) QG2 ILE 93 + QB ALA 66 OK 21 100 - 21 - 3.1/6853=5, 6020/2.1=3...(7) QG2 ILE 51 - QG1 VAL 95 poor 9 62 - 15 - 5751/6028=3, 4.1/5768=2...(5) Peak 6028 from cnoeabs.peaks (0.62, 0.96, 23.80 ppm; 2.79 A): 2 out of 2 assignments used, quality = 0.68: QD2 LEU 53 + QB ALA 66 OK 61 99 - 62 - 5822=17, 6021/2.1=17...(16) QD2 LEU 53 + QG1 VAL 95 OK 17 59 - 29 - 5822=6, 2.1/5826=4...(11) Peak 6029 from cnoeabs.peaks (0.29, 0.96, 23.80 ppm; 2.68 A): 4 out of 4 assignments used, quality = 0.74: QD1 LEU 21 + QB ALA 66 OK 47 99 - 47 - 4821=18, 4792/2.1=8...(10) QG2 VAL 68 + QB ALA 66 OK 31 99 - 32 - 6155/4.4=7, 6034/2.9=5...(8) QD1 LEU 21 + QG1 VAL 95 OK 18 61 - 30 - 4821=10, ~6914=3...(9) QG2 VAL 68 + QG1 VAL 95 OK 12 59 - 20 - 6125=3, 2.1/6901=3...(4) Peak 6031 from cnoeabs.peaks (-0.19, 0.96, 23.80 ppm; 4.03 A): 4 out of 4 assignments used, quality = 0.96: QD2 LEU 21 + QB ALA 66 OK 66 100 - 66 - 2.1/4821=24, ~4792=17...(16) QD1 ILE 80 + QB ALA 66 OK 64 98 - 65 - 6505=13, 2.1/6504=12...(23) QD1 ILE 80 + QG1 VAL 95 OK 52 58 - 89 - 6505=22, ~6908=18...(28) QD2 LEU 21 + QG1 VAL 95 OK 36 62 - 57 - 2.1/4821=14, 6914/2.1=12...(19) Peak 6036 from cnoeabs.peaks (1.65, 0.96, 23.80 ppm; 3.35 A): 6 out of 18 assignments used, quality = 0.84: HB VAL 18 + QB ALA 66 OK 49 98 - 50 - 4714=15, ~6033=9...(13) HB VAL 18 + QG1 VAL 95 OK 41 58 - 69 - ~6907=18, 4714=18...(17) QB ALA 79 + QB ALA 66 OK 16 78 - 20 - 6475=7, 3.7/6496=3...(5) HG12 ILE 27 + QB ALA 66 OK 15 96 - 15 - 3.8/6039=8, 4.6/685=2 QB ALA 79 + QG1 VAL 95 OK 15 42 - 35 - 6475=13, 3.7/6496=8...(8) HG3 GLN 19 + QB ALA 66 OK 14 100 - 14 - 6035/2.9=5, ~303=3...(4) HG12 ILE 40 - QB ALA 66 lone 9 99 - 9 - 6035/2.9=1, ~6020=1, 4811/4821=1 HB2 MET 50 - QB ALA 66 lone 6 100 - 6 - HG12 ILE 27 - QG1 VAL 95 lone 4 56 - 8 - 3.8/6039=2 HG12 ILE 40 - QG1 VAL 95 lone 4 61 - 7 - HG3 GLN 19 - QG1 VAL 95 lone 3 62 - 6 - ~4741=1 HB3 LYS 61 - QB ALA 66 lone 3 96 - 3 - HB2 MET 50 - QG1 VAL 95 lone 3 62 - 4 - HD3 LYS 41 - QB ALA 66 lone 2 83 - 2 - HD2 LYS 41 - QB ALA 66 lone 2 83 - 2 - HB3 LYS 61 - QG1 VAL 95 lone 2 56 - 3 - HD3 LYS 41 - QG1 VAL 95 lone 1 45 - 2 - HD2 LYS 41 - QG1 VAL 95 lone 1 45 - 2 - Peak 6037 from cnoeabs.peaks (4.70, 5.59, 50.67 ppm; 3.68 A): 3 out of 5 assignments used, quality = 0.87: HA LEU 53 + HA ALA 66 OK 83 100 - 83 - 7150=48, 3.6/5845=21...(10) HA SER 96 + HA ALA 66 OK 16 99 - 17 - 6041/2.1=4, 6072/3.6=3...(4) HA THR 26 + HA ALA 66 OK 11 95 - 12 - 6041/2.1=3, 2575/6021=3...(4) HB THR 26 - HA ALA 66 lone 7 81 - 9 - 2575/6021=2, 6041/2.1=2...(5) HA GLU 87 - HA ALA 66 lone 5 100 - 4 - 6041/2.1=1 Peak 6038 from cnoeabs.peaks (2.60, 0.96, 23.80 ppm; 5.24 A): 2 out of 10 assignments used, quality = 0.96: HB3 ASN 52 + QB ALA 66 OK 81 100 - 81 - 5776/2.1=22, 6084/3.5=20...(12) HB2 ASN 52 + QB ALA 66 OK 81 100 - 81 - 5776/2.1=22, 6084/3.5=20...(12) HB2 ASP 71 - QB ALA 66 OK 15 98 - 15 - 6084/3.5=3, 6024/2.1=3...(4) HB3 ASN 52 - QG1 VAL 95 OK 15 62 - 23 - 4.0/5768=5, 4.3/5816=5...(8) HB2 ASN 52 - QG1 VAL 95 OK 14 62 - 23 - 4.0/5768=5, 4.3/5816=5...(8) HB3 ASP 32 - QB ALA 66 lone 4 68 - 7 - HB2 ASP 71 - QG1 VAL 95 lone 4 58 - 7 - HB3 ASP 32 - QG1 VAL 95 lone 3 35 - 10 - ~6886=2, ~6880=2, 5126/6501=1 HB3 ASP 12 - QB ALA 66 lone 2 63 - 3 - HB3 ASP 12 - QG1 VAL 95 lone 1 32 - 3 - Peak 6039 from cnoeabs.peaks (3.52, 0.96, 23.80 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.56: HA ILE 27 + QB ALA 66 OK 49 100 - 49 - 4959/6028=17...(12) HA ILE 27 + QG1 VAL 95 OK 13 62 - 21 - 4959/6028=5, 5810/5826=2...(5) HB2 ASN 14 - QG1 VAL 95 poor 8 39 - 20 - 4530/2.1=6, ~4533=6...(4) HB2 ASN 14 - QB ALA 66 lone 5 73 - 6 - 5803/6028=1 Peak 6041 from cnoeabs.peaks (4.71, 0.96, 23.80 ppm; 3.72 A): 5 out of 10 assignments used, quality = 0.91: HA LEU 53 + QB ALA 66 OK 76 99 - 76 - 7150/2.1=38, 4.0/6028=21...(12) HA SER 96 + QG1 VAL 95 OK 33 57 - 58 - 3.0/451=20, 6954/2.1=14...(11) HA SER 96 + QB ALA 66 OK 24 97 - 25 - 3.0/451=5, 6037/2.1=5...(7) HA THR 26 + QB ALA 66 OK 16 97 - 17 - 6037/2.1=3, 2575/6028=3...(5) HA LEU 53 + QG1 VAL 95 OK 16 60 - 26 - 4.0/6028=6, 3.6/5828=4...(7) HB THR 26 - QB ALA 66 poor 10 73 - 13 - 2575/6028=2, 6037/2.1=2...(6) HA GLU 87 - QB ALA 66 lone 6 99 - 6 - 6037/2.1=1 HA THR 26 - QG1 VAL 95 lone 3 58 - 4 - HA GLU 87 - QG1 VAL 95 lone 2 60 - 3 - HB THR 26 - QG1 VAL 95 lone 1 39 - 3 - Peak 6042 from cnoeabs.peaks (7.66, 0.96, 23.80 ppm; 4.47 A): 4 out of 12 assignments used, quality = 0.86: H TYR 54 + QB ALA 66 OK 73 90 - 81 - 5845/2.1=35, 5828=19...(15) H SER 69 + QB ALA 66 OK 28 83 - 34 - 4.3/6029=10, 6045/2.1=7...(8) H TYR 54 + QG1 VAL 95 OK 16 51 - 31 - 5828=8, 4.6/4706=5...(8) H GLN 48 + QB ALA 66 OK 15 100 - 15 - 3.8/5612=4, 6045/2.1=3...(4) H GLN 48 - QG1 VAL 95 poor 10 62 - 16 - 3.8/5612=12 HD21 ASN 43 - QB ALA 66 lone 8 99 - 8 - 6045/2.1=2, 6070/3.5=2 H SER 69 - QG1 VAL 95 poor 8 45 - 18 - 4.5/6901=6, 4.3/6125=4...(5) HD22 ASN 24 - QB ALA 66 lone 3 63 - 5 - 6070/3.5=1 HD21 ASN 43 - QG1 VAL 95 lone 3 59 - 5 - 2363/5612=2, ~5541=1 HE22 GLN 36 - QB ALA 66 lone 2 60 - 3 - HD22 ASN 24 - QG1 VAL 95 lone 1 32 - 2 - HE22 GLN 36 - QG1 VAL 95 lone 1 30 - 2 - Peak 6043 from cnoeabs.peaks (6.85, 5.59, 50.67 ppm; 4.21 A): 3 out of 4 assignments used, quality = 0.93: QE TYR 54 + HA ALA 66 OK 90 100 - 90 - 2.2/4698=42, 5847=37...(14) H VAL 25 + HA ALA 66 OK 18 98 - 18 - 6061/3.6=7, 5786/6021=4...(4) QE PHE 34 + HA ALA 66 OK 14 63 - 23 - 4688/2.1=6, ~4827=6...(8) HZ PHE 70 - HA ALA 66 lone 4 63 - 6 - 6061/3.6=1, 7045/4792=1 Peak 6044 from cnoeabs.peaks (7.17, 5.59, 50.67 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.94: QD TYR 54 + HA ALA 66 OK 89 99 - 90 - 4698=49, 2.2/5847=26...(18) H GLU 65 + HA ALA 66 OK 39 83 - 47 - ~302=13, ~5999=12...(8) QE PHE 97 + HA ALA 66 OK 13 100 - 13 - 6047/2.1=3, 6060/3.6=2...(7) HZ PHE 97 - HA ALA 66 poor 10 93 - 10 - 6047/2.1=2, ~6047=2...(6) Peak 6045 from cnoeabs.peaks (7.66, 5.59, 50.67 ppm; 4.08 A): 2 out of 6 assignments used, quality = 0.82: H TYR 54 + HA ALA 66 OK 77 90 - 85 - 5845=41, 3.6/7150=30...(10) H SER 69 + HA ALA 66 OK 21 83 - 26 - 4.3/6022=9, 6042/2.1=5...(6) H GLN 48 - HA ALA 66 lone 9 100 - 9 - 6042/2.1=3, 6070/3.6=2 HD21 ASN 43 - HA ALA 66 lone 6 99 - 6 - 6070/3.6=2, 6042/2.1=2 HD22 ASN 24 - HA ALA 66 lone 3 63 - 4 - 6070/3.6=1 HE22 GLN 36 - HA ALA 66 lone 1 60 - 2 - Peak 6046 from cnoeabs.peaks (6.86, 0.96, 23.80 ppm; 4.35 A): 3 out of 8 assignments used, quality = 0.95: QE TYR 54 + QB ALA 66 OK 88 96 - 93 - 4699/2.1=33, ~4698=28...(16) QE PHE 34 + QB ALA 66 OK 37 85 - 43 - 4688=13, 2.2/4827=9...(13) QE PHE 34 + QG1 VAL 95 OK 34 46 - 73 - 4688=22, 2.2/4827=17...(17) H VAL 25 - QB ALA 66 OK 22 87 - 25 - 6061/3.5=7, 6043/2.1=5...(4) HZ PHE 34 - QG1 VAL 95 OK 19 29 - 66 - 2.2/4688=21, ~6916=14...(14) QE TYR 54 - QG1 VAL 95 OK 18 56 - 32 - 2.2/4706=8, 4708=6...(12) HZ PHE 34 - QB ALA 66 OK 18 57 - 31 - 2.2/4688=12, 4827=5...(10) H VAL 25 - QG1 VAL 95 poor 7 48 - 14 - 3.9/4904=5, 4632/4599=2...(4) Peak 6047 from cnoeabs.peaks (7.17, 0.96, 23.80 ppm; 4.60 A): 2 out of 12 assignments used, quality = 0.97: QD TYR 54 + QB ALA 66 OK 94 100 - 94 - 4698/2.1=47, 4706=30...(19) H GLU 65 + QB ALA 66 OK 46 71 - 65 - 3.0/5999=25, ~302=20...(8) QE PHE 97 - QB ALA 66 OK 23 100 - 23 - 6044/2.1=4, 6.5/6965=4...(10) QD TYR 54 - QG1 VAL 95 OK 23 62 - 37 - 4706=10, 2.2/4708=6...(11) HZ PHE 97 - QB ALA 66 OK 15 85 - 18 - 6044/2.1=3, ~6044=2...(9) QE PHE 97 - QG1 VAL 95 OK 10 62 - 17 - 6.5/6965=6, 4768/6505=3...(4) HZ PHE 97 - QG1 VAL 95 poor 6 46 - 12 - 8.2/6965=4, 6980/6505=2 HD22 ASN 43 - QB ALA 66 lone 4 63 - 6 - 1.7/6042=2, ~6045=2, 6060/3.5=1 H GLU 65 - QG1 VAL 95 poor 4 37 - 11 - 3.0/5999=5, 4784/4821=1 H LYS 77 - QB ALA 66 lone 3 63 - 5 - 6417/6505=1 H LYS 77 - QG1 VAL 95 lone 2 32 - 6 - 6417/6505=2 HD22 ASN 43 - QG1 VAL 95 lone 1 32 - 3 - Peak 6052 from cnoeabs.peaks (8.36, 0.96, 23.80 ppm; 4.34 A): 5 out of 8 assignments used, quality = 0.93: H ASN 52 + QB ALA 66 OK 79 100 - 79 - 5775/2.1=36, 5768=23...(13) H LYS 94 + QG1 VAL 95 OK 44 61 - 73 - 1131/4.0=24, 6856/2.1=20...(11) H LYS 94 + QB ALA 66 OK 20 99 - 20 - 4.4/6027=6, 433/6027=2...(7) H ASN 52 + QG1 VAL 95 OK 16 61 - 26 - 5768=7, 4.6/5816=3...(11) H LYS 35 + QB ALA 66 OK 10 92 - 11 - 5781/6028=2, 4782/4821=1 H LYS 35 - QG1 VAL 95 poor 7 52 - 13 - 6926/2.1=3, 4381/6853=2...(4) H GLY 64 - QB ALA 66 lone 5 57 - 9 - 4.6/6047=4, 4782/4821=1 H GLY 64 - QG1 VAL 95 lone 2 29 - 7 - 6926/2.1=1 Peak 6053 from cnoeabs.peaks (8.82, 5.75, 59.23 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.94: H ILE 16 + HA THR 67 OK 91 98 - 93 - 4612=49, 4.1/4553=33...(15) H ASN 43 + HA THR 67 OK 28 92 - 30 - 6166/3.6=7, 6057/3.2=7...(9) H GLU 28 - HA THR 67 OK 26 78 - 33 - 6057/3.2=7, 6055/3.0=5...(13) Peak 6054 from cnoeabs.peaks (8.94, 5.75, 59.23 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.96: H VAL 18 + HA THR 67 OK 90 99 - 91 - 4698=49, 3.6/4657=30...(20) H ALA 66 + HA THR 67 OK 60 76 - 79 - 3.0/6076=24, ~308=16...(20) H SER 96 - HA THR 67 OK 39 92 - 42 - 6944/6106=8, 6058/3.2=5...(15) H PHE 70 - HA THR 67 OK 27 85 - 32 - 6167/3.6=8, 6234/6158=5...(9) H ASP 56 - HA THR 67 OK 15 100 - 14 - 6167/3.6=2, 6058/3.2=2...(5) Peak 6055 from cnoeabs.peaks (8.83, 4.10, 70.88 ppm; 4.59 A): 3 out of 3 assignments used, quality = 0.75: H ILE 16 + HB THR 67 OK 64 93 - 69 - 4612/3.0=29, 6166/4.4=21...(9) H ASN 43 + HB THR 67 OK 17 83 - 20 - 6057/2.1=7, 6053/3.0=6...(4) H GLU 28 + HB THR 67 OK 15 65 - 23 - 6057/2.1=7, 6053/3.0=5...(7) Peak 6056 from cnoeabs.peaks (8.94, 4.10, 70.88 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.95: H VAL 18 + HB THR 67 OK 81 100 - 81 - 4698/3.0=43, 3.6/6077=25...(9) H ALA 66 + HB THR 67 OK 61 90 - 68 - ~6076=20, 307/3.9=14...(12) H SER 96 + HB THR 67 OK 31 99 - 31 - 6058/2.1=8, 6054/3.0=7...(8) H PHE 70 - HB THR 67 OK 22 68 - 33 - 6167/4.4=10, 6058/2.1=6...(7) H ASP 56 - HB THR 67 OK 16 99 - 15 - 6058/2.1=4, 6167/4.4=3...(5) Peak 6057 from cnoeabs.peaks (8.82, 1.45, 22.14 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.96: H ILE 16 + QG2 THR 67 OK 93 100 - 93 - 4612/3.2=35, 3.6/6082=34...(17) H GLU 28 + QG2 THR 67 OK 40 89 - 45 - 6055/2.1=6, 6053/3.2=6...(20) H ASN 43 - QG2 THR 67 OK 38 97 - 39 - 6055/2.1=7, 6053/3.2=6...(14) Peak 6058 from cnoeabs.peaks (8.94, 1.45, 22.14 ppm; 4.01 A): 3 out of 5 assignments used, quality = 0.96: H VAL 18 + QG2 THR 67 OK 87 100 - 87 - 4698/3.2=30, 3.6/6081=25...(19) H ALA 66 + QG2 THR 67 OK 55 87 - 64 - 4.6/3026=15, 2.9/6101=13...(19) H SER 96 + QG2 THR 67 OK 41 97 - 43 - 6931/6059=9, 6937/6089=5...(13) H PHE 70 - QG2 THR 67 OK 32 73 - 43 - 4.6/6065=9, 6218/6082=8...(13) H ASP 56 - QG2 THR 67 OK 18 100 - 18 - 3.6/6080=2, 6167/4.1=2...(7) Peak 6059 from cnoeabs.peaks (9.56, 1.45, 22.14 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.80: H PHE 17 + QG2 THR 67 OK 80 83 - 97 - 2.9/6081=39, 4.5/6066=38...(20) Peak 6062 from cnoeabs.peaks (7.11, 5.75, 59.23 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 17 + HA THR 67 OK 95 100 - 96 - 6066/3.2=41, 4862=38...(15) HH2 TRP 82 - HA THR 67 lone 4 78 - 4 - 6990/7004=1, 6063/3.0=1 Peak 6063 from cnoeabs.peaks (7.12, 4.10, 70.88 ppm; 5.44 A): 1 out of 3 assignments used, quality = 0.92: QD PHE 17 + HB THR 67 OK 92 97 - 95 - 6066/2.1=43, 6062/3.0=39...(15) H GLU 65 - HB THR 67 poor 9 65 - 13 - 4.6/6056=9, 6002/2.1=3 HH2 TRP 82 - HB THR 67 lone 5 89 - 5 - 6062/3.0=2, 6990/6093=1 Peak 6065 from cnoeabs.peaks (7.67, 1.45, 22.14 ppm; 4.97 A): 4 out of 4 assignments used, quality = 0.86: H SER 69 + QG2 THR 67 OK 72 99 - 73 - 314/4.1=25, 4.3/6110=17...(17) H TYR 54 + QG2 THR 67 OK 35 60 - 59 - 4.6/6069=22, 6.5/6068=16...(7) H GLN 48 + QG2 THR 67 OK 16 92 - 17 - 6070/4.0=3, 5585/6057=2...(4) HD21 ASN 43 + QG2 THR 67 OK 11 81 - 14 - 5.7/6057=5, 1.7/6069=3...(4) Peak 6066 from cnoeabs.peaks (7.11, 1.45, 22.14 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.66: QD PHE 17 + QG2 THR 67 OK 66 100 - 66 - 3.7/6081=15, 2.4/6089=14...(13) Peak 6067 from cnoeabs.peaks (6.99, 1.45, 22.14 ppm; 4.22 A): 3 out of 9 assignments used, quality = 0.79: QE PHE 17 + QG2 THR 67 OK 67 81 - 83 - 2.2/6066=46, 4.4/6089=16...(10) HD21 ASN 52 + QG2 THR 67 OK 28 99 - 28 - 3.5/6090=13, 3.5/6090=13 QE PHE 70 + QG2 THR 67 OK 12 71 - 17 - 2.2/6068=4, 5.6/6080=3...(7) QE PHE 83 - QG2 THR 67 lone 8 98 - 8 - 4838/4601=1, 4613/6057=1 HZ PHE 88 - QG2 THR 67 lone 8 95 - 8 - 4848/2.1=1 HD21 ASN 13 - QG2 THR 67 poor 7 68 - 10 - 4517/7015=4, 3.5/6089=2 HD21 ASN 24 - QG2 THR 67 lone 4 100 - 4 - 3.5/6089=2 HE22 GLN 48 - QG2 THR 67 lone 4 93 - 4 - 6.9/6065=1 HE22 GLN 19 - QG2 THR 67 lone 2 90 - 2 - Peak 6068 from cnoeabs.peaks (6.84, 1.45, 22.14 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.53: QE TYR 54 + QG2 THR 67 OK 53 100 - 53 - 2.2/6069=16, 5830=14...(11) H VAL 25 - QG2 THR 67 lone 10 100 - 10 - 6061/4.0=3 HZ PHE 70 - QG2 THR 67 lone 6 78 - 8 - 2.2/6067=2, 4779/4601=1 Peak 6069 from cnoeabs.peaks (7.17, 1.45, 22.14 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.70: QD TYR 54 + QG2 THR 67 OK 70 100 - 71 - 2.2/6068=33, 4694/4.0=16...(12) H GLU 65 - QG2 THR 67 poor 9 63 - 14 - 4.6/6058=5, 6060/4.0=3, 6002=2 QE PHE 97 - QG2 THR 67 lone 8 99 - 8 - 6060/4.0=2, 5.6/6080=2 HD22 ASN 43 - QG2 THR 67 lone 5 71 - 7 - 5.7/6057=3, 1.7/6065=2 HZ PHE 97 - QG2 THR 67 lone 4 78 - 5 - 6060/4.0=1 H LYS 77 - QG2 THR 67 lone 2 71 - 3 - Peak 6074 from cnoeabs.peaks (4.24, 5.75, 59.23 ppm; 5.05 A): 2 out of 7 assignments used, quality = 0.94: HA VAL 68 + HA THR 67 OK 93 99 - 94 - 3.0/311=49, 3.2/6155=36...(17) HA3 GLY 64 + HA THR 67 OK 14 100 - 14 - 5996/6155=3, 5996/6107=3...(5) HA ILE 37 - HA THR 67 lone 10 96 - 10 - 4.0/6096=3, 3.2/6098=3, ~6100=2 HA GLU 58 - HA THR 67 lone 3 65 - 4 - 3.6/4278=2 HA3 GLY 85 - HA THR 67 lone 3 71 - 4 - HA LYS 45 - HA THR 67 lone 3 99 - 2 - HA ALA 79 - HA THR 67 lone 2 57 - 4 - Peak 6075 from cnoeabs.peaks (5.41, 5.75, 59.23 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.91: HA PHE 17 + HA THR 67 OK 89 99 - 90 - 4657=50, 6081/3.2=22...(19) HA ASP 72 + HA THR 67 OK 16 68 - 24 - 6081/3.2=5, 6077/3.0=4...(8) Peak 6076 from cnoeabs.peaks (5.58, 5.75, 59.23 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.89: HA ALA 66 + HA THR 67 OK 89 99 - 90 - 308/3.0=47, 2.1/6097=23...(16) Peak 6077 from cnoeabs.peaks (5.41, 4.10, 70.88 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.94: HA PHE 17 + HB THR 67 OK 94 100 - 94 - 4657/3.0=42, 6081/2.1=39...(17) HA ASP 72 - HB THR 67 OK 29 81 - 36 - 6081/2.1=9, 6075/3.0=6...(9) Peak 6079 from cnoeabs.peaks (4.36, 1.45, 22.14 ppm; 4.40 A): 2 out of 8 assignments used, quality = 0.67: HA ALA 98 + QG2 THR 67 OK 63 95 - 67 - 2.1/7015=27, ~7004=17...(9) HA THR 42 + QG2 THR 67 OK 12 78 - 15 - 3.6/6057=5, 3.2/5492=2...(4) HA LEU 62 - QG2 THR 67 lone 10 100 - 10 - ~5949=1, ~5952=1 HA TRP 82 - QG2 THR 67 lone 8 100 - 8 - 4659/6081=2, 6579/4676=2...(4) HA SER 29 - QG2 THR 67 lone 7 68 - 9 - 2.9/5021=3, 3.6/5036=2, ~695=1 HA LYS 61 - QG2 THR 67 lone 6 99 - 6 - HA PHE 34 - QG2 THR 67 lone 4 68 - 6 - 3.0/5191=2 HA SER 11 - QG2 THR 67 lone 2 100 - 2 - Peak 6080 from cnoeabs.peaks (4.79, 1.45, 22.14 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.56: HA TYR 54 + QG2 THR 67 OK 35 73 - 47 - 3.7/6069=21, 5.7/6068=16...(5) HA ILE 51 + QG2 THR 67 OK 20 99 - 20 - 3.6/230=6, 7116/6110=3...(6) HA PHE 70 + QG2 THR 67 OK 15 76 - 20 - 3.0/6058=5, 7116/6110=2...(8) HA PHE 97 - QG2 THR 67 poor 9 63 - 15 - 7137/6059=5, 2.9/6957=3...(5) HA THR 55 - QG2 THR 67 lone 8 100 - 7 - 3.6/6058=2 Peak 6081 from cnoeabs.peaks (5.41, 1.45, 22.14 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.85: HA PHE 17 + QG2 THR 67 OK 82 100 - 82 - 4657/3.2=24, 3.7/6066=22...(17) HA ASP 72 + QG2 THR 67 OK 18 81 - 23 - 3.0/6089=5, 6077/2.1=4...(8) Peak 6082 from cnoeabs.peaks (5.54, 1.45, 22.14 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.75: HA THR 15 + QG2 THR 67 OK 75 99 - 75 - 6164/4.1=25, 3.2/4570=23...(17) Peak 6085 from cnoeabs.peaks (2.71, 5.75, 59.23 ppm; 5.49 A): 2 out of 5 assignments used, quality = 0.99: HB3 PHE 17 + HA THR 67 OK 98 100 - 99 - 3.0/4657=48, 2.4/6062=43...(18) HB3 ASP 72 + HA THR 67 OK 45 99 - 45 - 6089/3.2=9, 6303/3.6=9...(9) HB3 ASN 13 - HA THR 67 OK 15 100 - 15 - 4.0/4278=4, 7008/7004=3...(5) HB3 ASN 24 - HA THR 67 OK 12 98 - 12 - ~6071=3, 6089/3.2=2...(4) HB2 ASP 81 - HA THR 67 lone 5 100 - 5 - 6089/3.2=1, 7008/7004=1 Peak 6086 from cnoeabs.peaks (2.83, 5.75, 59.23 ppm; 5.44 A): 3 out of 4 assignments used, quality = 1.00: HB2 PHE 17 + HA THR 67 OK 97 99 - 99 - 3.0/4657=48, 2.4/6062=42...(19) HB2 TYR 54 + HA THR 67 OK 78 100 - 78 - 4.4/5849=27, ~4694=22...(11) HB2 ASP 72 + HA THR 67 OK 46 99 - 46 - 1.8/6085=10, 6302/3.6=9...(8) HB3 TYR 33 - HA THR 67 lone 6 97 - 7 - 6088/3.2=2, 7179/5849=1 Peak 6087 from cnoeabs.peaks (2.59, 4.10, 70.88 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.78: HB2 ASN 52 + HB THR 67 OK 49 100 - 49 - 6090/2.1=21, 7094/3.9=17...(4) HB3 ASN 52 + HB THR 67 OK 48 99 - 49 - 6090/2.1=20, 7094/3.9=17...(4) HB2 ASP 71 + HB THR 67 OK 16 100 - 15 - 6090/2.1=6, 6084/3.9=3...(4) Peak 6088 from cnoeabs.peaks (2.82, 1.45, 22.14 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.98: HB2 PHE 17 + QG2 THR 67 OK 96 100 - 96 - 2.4/6066=45, 3.0/6081=32...(19) HB2 TYR 54 + QG2 THR 67 OK 60 100 - 60 - 2.5/6069=27, 4.4/6068=22...(6) HB2 ASP 72 - QG2 THR 67 OK 37 100 - 37 - 1.8/6089=9, 3.0/6081=7...(9) HB3 TYR 33 - QG2 THR 67 lone 7 99 - 7 - 4.3/5191=2, 4.0/5163=1 Peak 6089 from cnoeabs.peaks (2.72, 1.45, 22.14 ppm; 3.86 A): 2 out of 5 assignments used, quality = 0.93: HB3 PHE 17 + QG2 THR 67 OK 90 99 - 92 - 2.4/6066=40, 3.0/6081=27...(19) HB3 ASP 72 + QG2 THR 67 OK 29 100 - 29 - 3.0/6081=6, 1.8/6088=6...(9) HB3 ASN 13 - QG2 THR 67 poor 10 100 - 10 - 4.0/4280=3, 7008/7015=2...(5) HB3 ASN 24 - QG2 THR 67 lone 7 100 - 7 - 4.4/6068=3, 6085/3.2=1 HB2 ASP 81 - QG2 THR 67 lone 4 100 - 4 - Peak 6090 from cnoeabs.peaks (2.59, 1.45, 22.14 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.80: HB2 ASN 52 + QG2 THR 67 OK 52 100 - 52 - 7094/4.0=12, 6087/2.1=11...(12) HB3 ASN 52 + QG2 THR 67 OK 51 99 - 52 - 7094/4.0=12, 6087/2.1=10...(12) HB2 ASP 71 + QG2 THR 67 OK 14 100 - 13 - 6087/2.1=4, 6084/4.0=2...(4) Peak 6091 from cnoeabs.peaks (1.27, 1.45, 22.14 ppm; 2.97 A): 2 out of 6 assignments used, quality = 0.73: QB ALA 98 + QG2 THR 67 OK 59 99 - 60 - 7015=25, 7004/3.2=10...(13) HG12 ILE 16 + QG2 THR 67 OK 34 92 - 38 - 4.9/6059=7, ~4630=6...(10) HG13 ILE 39 - QG2 THR 67 lone 8 97 - 8 - 6093/2.1=2, 6095/3.2=1 QG2 THR 26 - QG2 THR 67 lone 7 98 - 7 - 6093/2.1=1 HG3 LYS 35 - QG2 THR 67 lone 7 99 - 7 - 6093/2.1=2 HG3 LYS 86 - QG2 THR 67 lone 2 71 - 3 - Peak 6092 from cnoeabs.peaks (1.15, 1.45, 22.14 ppm; 3.14 A): 4 out of 6 assignments used, quality = 0.88: QG2 THR 15 + QG2 THR 67 OK 69 100 - 69 - 4570=25, 4553/3.2=17...(12) HB2 LEU 21 + QG2 THR 67 OK 28 100 - 28 - 6094/2.1=6, 3.1/6110=5...(10) HB3 LEU 21 + QG2 THR 67 OK 28 100 - 28 - 6094/2.1=6, 3.1/6110=5...(10) HG13 ILE 27 + QG2 THR 67 OK 25 99 - 25 - 6094/2.1=5, 2.1/6101=4...(9) HG13 ILE 37 - QG2 THR 67 poor 8 71 - 11 - 6112/4.1=2, 6094/2.1=2 QG2 THR 46 - QG2 THR 67 lone 1 71 - 1 - Peak 6093 from cnoeabs.peaks (1.26, 4.10, 70.88 ppm; 3.71 A): 3 out of 6 assignments used, quality = 0.72: QB ALA 98 + HB THR 67 OK 57 99 - 58 - 7015/2.1=23, 7004/3.0=18...(9) HG12 ILE 16 + HB THR 67 OK 27 60 - 45 - ~4630=11, 6091/2.1=11...(9) HG13 ILE 39 + HB THR 67 OK 11 71 - 15 - 6091/2.1=3, 1991=2...(8) HG3 LYS 35 - HB THR 67 lone 9 99 - 9 - 6091/2.1=2, 6095/3.0=1...(4) QG2 THR 26 - HB THR 67 lone 8 100 - 7 - 6091/2.1=2, 6115/4.4=1 HG3 LYS 86 - HB THR 67 lone 4 97 - 4 - 6115/4.4=1 Peak 6094 from cnoeabs.peaks (1.16, 4.10, 70.88 ppm; 2.84 A): 4 out of 5 assignments used, quality = 0.71: QG2 THR 15 + HB THR 67 OK 45 100 - 45 - 4553/3.0=14, 4570/2.1=14...(8) HB2 LEU 21 + HB THR 67 OK 20 100 - 20 - 6092/2.1=5, 6096/3.0=3...(8) HB3 LEU 21 + HB THR 67 OK 20 100 - 20 - 6092/2.1=5, 6096/3.0=3...(8) HG13 ILE 27 + HB THR 67 OK 16 100 - 16 - 6092/2.1=4, 6096/3.0=2...(6) HG13 ILE 37 - HB THR 67 lone 6 83 - 7 - 6112/4.4=2, 6092/2.1=1 Peak 6095 from cnoeabs.peaks (1.28, 5.75, 59.23 ppm; 4.23 A): 5 out of 6 assignments used, quality = 0.94: QB ALA 98 + HA THR 67 OK 73 96 - 76 - 7004=29, 7015/3.2=21...(12) HG12 ILE 16 + HA THR 67 OK 65 97 - 68 - 4.6/4612=19, 1.8/4630=19...(11) HG13 ILE 39 + HA THR 67 OK 15 99 - 14 - 6091/3.2=3, 1991/3.0=3...(6) QG2 THR 26 + HA THR 67 OK 13 95 - 14 - 6091/3.2=2, 6115/3.6=2...(6) HG3 LYS 35 + HA THR 67 OK 12 96 - 12 - 6091/3.2=2, 6093/3.0=2 HG3 LYS 86 - HA THR 67 lone 4 60 - 7 - 6115/3.6=2 Peak 6096 from cnoeabs.peaks (1.16, 5.75, 59.23 ppm; 3.91 A): 3 out of 5 assignments used, quality = 0.96: QG2 THR 15 + HA THR 67 OK 85 99 - 85 - 4553=47, 4547/3.6=21...(14) HB2 LEU 21 + HA THR 67 OK 47 99 - 47 - 3.1/6107=10, 6094/3.0=7...(16) HB3 LEU 21 + HA THR 67 OK 46 99 - 47 - 3.1/6107=10, 6094/3.0=7...(16) HG13 ILE 27 - HA THR 67 OK 37 100 - 37 - 6094/3.0=6, 2.1/6097=6...(13) HG13 ILE 37 - HA THR 67 OK 19 90 - 21 - 6112/3.6=6, 6094/3.0=2...(10) Peak 6097 from cnoeabs.peaks (0.97, 5.75, 59.23 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: QB ALA 66 + HA THR 67 OK 99 99 - 100 - 4.4=98, 2.1/6076=32...(21) QG1 VAL 95 - HA THR 67 OK 43 95 - 45 - 6912/4706=8, 4708/4698=7...(13) QD1 ILE 27 - HA THR 67 OK 34 85 - 40 - 6101/3.2=7, 2.1/6096=7...(14) Peak 6098 from cnoeabs.peaks (0.85, 5.75, 59.23 ppm; 5.10 A): 4 out of 9 assignments used, quality = 0.96: QG1 VAL 18 + HA THR 67 OK 65 85 - 77 - 2.1/6106=44, 3.9/4698=38...(11) QG2 ILE 16 + HA THR 67 OK 63 81 - 78 - 4.0/4612=32, 3.2/4630=25...(14) QD1 ILE 51 + HA THR 67 OK 50 81 - 62 - ~6103=13, 5761/6158=11...(14) QG1 VAL 30 + HA THR 67 OK 35 97 - 36 - 5110/6158=8, 5109/6155=5...(13) QG2 VAL 30 - HA THR 67 OK 34 100 - 34 - 5107/6155=6, 6100/3.0=5...(12) QG2 ILE 37 - HA THR 67 OK 29 100 - 28 - 6113/3.6=5, 3.2/6096=3...(13) QG2 ILE 80 - HA THR 67 OK 23 99 - 24 - 6026/4.4=4, 3.2/3021=3...(7) QD2 LEU 62 - HA THR 67 OK 19 95 - 20 - 7218/5774=3, 6113/3.6=3...(8) QG2 THR 42 - HA THR 67 OK 13 73 - 18 - 4.2/6053=6, ~6079=2...(6) Peak 6101 from cnoeabs.peaks (0.96, 1.45, 22.14 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.94: QB ALA 66 + QG2 THR 67 OK 83 100 - 83 - 4.4/3027=34, 309/4.0=26...(21) QD1 ILE 27 + QG2 THR 67 OK 42 92 - 45 - 2.1/6092=8, 6097/3.2=6...(14) QG1 VAL 95 + QG2 THR 67 OK 39 89 - 44 - 6097/3.2=8, 309/4.0=5...(14) Peak 6106 from cnoeabs.peaks (0.68, 5.75, 59.23 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.86: QG2 VAL 18 + HA THR 67 OK 86 100 - 87 - 4706=41, 3.9/4698=31...(18) Peak 6107 from cnoeabs.peaks (0.30, 5.75, 59.23 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 68 + HA THR 67 OK 87 100 - 87 - 6155=35, 4.0/311=32...(17) QD1 LEU 21 + HA THR 67 OK 55 92 - 60 - 4821/4.4=12, 6105/3.0=11...(17) Peak 6110 from cnoeabs.peaks (0.29, 1.45, 22.14 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 68 + QG2 THR 67 OK 86 100 - 86 - 6155/3.2=32, 3040/4.1=26...(19) QD1 LEU 21 + QG2 THR 67 OK 61 97 - 62 - 6107/3.2=14, 6105/4.0=11...(16) Peak 6116 from cnoeabs.peaks (1.01, 4.25, 61.01 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.95: HG12 ILE 51 + HA VAL 68 OK 95 100 - 95 - 5756/3.2=28, 3.2/6118=20...(27) QD1 LEU 62 - HA VAL 68 OK 26 90 - 29 - 6134/3.2=5, 6114/3.0=4...(15) QG2 THR 55 - HA VAL 68 OK 18 92 - 19 - 6182/3.6=4, 6134/3.2=4...(6) Peak 6117 from cnoeabs.peaks (0.86, 4.25, 61.01 ppm; 3.84 A): 3 out of 9 assignments used, quality = 0.98: QD1 ILE 51 + HA VAL 68 OK 92 97 - 95 - 5761/3.2=30, 2.1/6116=23...(26) QG1 VAL 18 + HA VAL 68 OK 55 99 - 56 - ~6122=13, ~4726=12...(12) QG2 VAL 30 + HA VAL 68 OK 49 92 - 53 - 5107/3.2=10, ~5110=10...(17) QG1 VAL 30 - HA VAL 68 OK 39 81 - 48 - 5110/3.2=12, 5109/3.2=7...(14) QG2 ILE 37 - HA VAL 68 OK 34 95 - 36 - 3.2/5282=5, 1932/3.0=4...(14) QD2 LEU 62 - HA VAL 68 OK 22 73 - 30 - 2.1/6116=7, 3.1/5948=3...(12) QG2 ILE 80 - HA VAL 68 OK 11 87 - 13 - 6124/3.2=2, ~6148=1...(6) QG2 THR 42 - HA VAL 68 lone 5 95 - 6 - 5512/3.6=2 QG2 ILE 39 - HA VAL 68 lone 4 73 - 5 - Peak 6118 from cnoeabs.peaks (0.71, 4.25, 61.01 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.98: QG2 ILE 51 + HA VAL 68 OK 98 100 - 98 - 6123/3.2=31, 5754/3.2=30...(31) QG2 ILE 93 - HA VAL 68 OK 24 99 - 24 - 6847/3.2=10, 6198/3.6=3...(7) Peak 6119 from cnoeabs.peaks (1.46, 4.25, 61.01 ppm; 4.09 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 51 + HA VAL 68 OK 97 100 - 97 - 2.1/6118=27, 3.0/6116=21...(32) QG2 THR 67 + HA VAL 68 OK 82 100 - 82 - 4280/3.0=25, ~4279=16...(14) HG13 ILE 51 + HA VAL 68 OK 73 76 - 96 - 1.8/6116=27, 3.2/6118=22...(29) QB ALA 31 + HA VAL 68 OK 52 99 - 52 - 5102/3.2=21, ~5101=14...(9) HB2 LYS 41 - HA VAL 68 OK 16 95 - 17 - 5474/6142=5, 6178/3.6=3...(6) HG12 ILE 80 - HA VAL 68 OK 13 100 - 13 - 6128/3.2=2, 313/3.0=2...(5) HG3 LYS 63 - HA VAL 68 lone 5 76 - 7 - HG2 LYS 63 - HA VAL 68 lone 5 76 - 7 - HG3 LYS 94 - HA VAL 68 lone 4 92 - 5 - HG2 LYS 44 - HA VAL 68 lone 3 90 - 3 - Peak 6120 from cnoeabs.peaks (1.23, 1.35, 34.59 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.84: HG13 ILE 16 + HB VAL 68 OK 81 97 - 84 - 2.1/7057=30, 6126/2.1=24...(14) HG3 LYS 86 + HB VAL 68 OK 13 83 - 15 - 6126/2.1=5, 6135/2.1=4...(4) QG2 THR 59 - HB VAL 68 lone 8 99 - 8 - 6126/2.1=3, 2744/4.0=2 Peak 6121 from cnoeabs.peaks (0.83, 1.35, 34.59 ppm; 4.39 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 16 + HB VAL 68 OK 90 100 - 90 - 3.1/7057=30, 3.2/6120=28...(18) QG2 ILE 40 + HB VAL 68 OK 82 87 - 94 - 5451/2.1=40, ~5455=23...(17) QG1 VAL 30 + HB VAL 68 OK 68 99 - 69 - 5110/2.1=24, 5109/2.1=13...(17) QG2 VAL 30 + HB VAL 68 OK 65 95 - 69 - ~5110=17, 5107/2.1=15...(17) QG2 ILE 37 - HB VAL 68 OK 42 92 - 46 - 1932=6, 3.2/1918=4...(20) QG2 VAL 25 - HB VAL 68 OK 31 90 - 35 - ~4911=9, 5110/2.1=8...(6) QD2 LEU 62 - HB VAL 68 OK 30 100 - 30 - ~6125=6, ~6134=5...(10) QG2 ILE 80 - HB VAL 68 OK 20 97 - 21 - ~6148=2, 1320/7057=2...(11) Peak 6122 from cnoeabs.peaks (0.69, 1.35, 34.59 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.77: QG2 VAL 18 + HB VAL 68 OK 77 93 - 82 - 4726/2.1=30, 4691/4.0=19...(16) Peak 6123 from cnoeabs.peaks (0.71, 0.29, 19.51 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.90: QG2 ILE 51 + QG2 VAL 68 OK 87 98 - 88 - 5753=25, 5754/2.1=17...(31) QG2 ILE 93 + QG2 VAL 68 OK 24 96 - 25 - 6847=5, 6118/3.2=3...(8) Peak 6124 from cnoeabs.peaks (0.85, 0.29, 19.51 ppm; 2.74 A): 5 out of 9 assignments used, quality = 0.96: QD1 ILE 51 + QG2 VAL 68 OK 66 85 - 78 - 5761/2.1=17, 5760=14...(22) QG2 VAL 30 + QG2 VAL 68 OK 47 99 - 47 - 5107=10, 2.1/5109=7...(16) QG1 VAL 30 + QG2 VAL 68 OK 43 96 - 45 - 5109=10, 2.1/5107=7...(17) QG2 ILE 16 + QG2 VAL 68 OK 37 76 - 49 - 3.2/6126=9, ~4596=7...(13) QG1 VAL 18 + QG2 VAL 68 OK 36 89 - 41 - ~6122=7, 4716=7, ~4726=6...(12) QG2 ILE 37 - QG2 VAL 68 OK 20 100 - 20 - 1932/2.1=3, 6133/2.1=2...(7) QD2 LEU 62 - QG2 VAL 68 OK 18 92 - 19 - 2.1/6125=4, 5107=2...(5) QG2 ILE 80 - QG2 VAL 68 OK 12 98 - 12 - 6133/2.1=1 QG2 THR 42 - QG2 VAL 68 lone 4 78 - 5 - 4.2/6172=2 Peak 6125 from cnoeabs.peaks (0.99, 0.29, 19.51 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.82: HG12 ILE 51 + QG2 VAL 68 OK 63 71 - 89 - 2.1/5760=21, 3.2/6123=21...(22) QG1 VAL 95 + QG2 VAL 68 OK 36 96 - 37 - 6901/2.1=14, ~6900=5...(8) QD1 LEU 62 + QG2 VAL 68 OK 23 99 - 23 - 2.1/6124=3, 6114/4.0=3...(10) Peak 6126 from cnoeabs.peaks (1.23, 0.29, 19.51 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.83: HG13 ILE 16 + QG2 VAL 68 OK 77 92 - 84 - 6120/2.1=29, ~4596=23...(16) HG3 LYS 86 + QG2 VAL 68 OK 17 90 - 18 - 6135/2.1=5, 6120/2.1=5...(4) QG2 THR 59 + QG2 VAL 68 OK 11 97 - 10 - 6120/2.1=3, 4.2/6170=2...(5) Peak 6127 from cnoeabs.peaks (1.17, 0.29, 19.51 ppm; 4.25 A): 5 out of 6 assignments used, quality = 0.95: QG2 THR 15 + QG2 VAL 68 OK 65 96 - 69 - 4547/4.0=21, 4548/4.3=15...(11) HG13 ILE 37 + QG2 VAL 68 OK 43 97 - 44 - 6136/2.1=7, 6112/4.0=6...(14) HB2 LEU 21 + QG2 VAL 68 OK 39 96 - 41 - 6136/2.1=6, 4.6/62=5...(15) HB3 LEU 21 + QG2 VAL 68 OK 38 93 - 41 - 6136/2.1=6, 4.6/62=5...(15) HG13 ILE 27 + QG2 VAL 68 OK 34 99 - 35 - 6136/2.1=6, 5735/6123=5...(14) HB3 LYS 41 - QG2 VAL 68 OK 13 65 - 19 - 4.0/6171=3, 6181/4.3=3...(6) Peak 6128 from cnoeabs.peaks (1.46, 0.29, 19.51 ppm; 3.71 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 51 + QG2 VAL 68 OK 96 100 - 96 - 2.1/6123=33, 3.2/5760=19...(32) HG13 ILE 51 + QG2 VAL 68 OK 72 76 - 95 - 2.1/5760=25, 3.2/6123=25...(26) QG2 THR 67 + QG2 VAL 68 OK 71 100 - 72 - 3.2/6155=20, 4.1/3040=17...(15) QB ALA 31 + QG2 VAL 68 OK 60 99 - 60 - 5102/2.1=19, ~5101=15...(17) HG12 ILE 80 - QG2 VAL 68 OK 20 100 - 20 - 3.8/6141=2, 6137/2.1=2...(7) HB2 LYS 41 - QG2 VAL 68 OK 17 95 - 18 - 4.0/6171=2, 6137/2.1=2...(6) HG3 LYS 94 - QG2 VAL 68 lone 8 92 - 8 - 4.9/6169=3 HG2 LYS 63 - QG2 VAL 68 lone 5 76 - 6 - HG3 LYS 63 - QG2 VAL 68 lone 5 76 - 6 - HG2 LYS 44 - QG2 VAL 68 lone 4 90 - 4 - Peak 6129 from cnoeabs.peaks (1.65, 0.29, 19.51 ppm; 4.41 A): 2 out of 12 assignments used, quality = 0.98: HG12 ILE 40 + QG2 VAL 68 OK 92 97 - 95 - ~5455=33, ~6131=33...(21) HB VAL 18 + QG2 VAL 68 OK 70 93 - 75 - ~6122=22, ~4726=20...(18) QB ALA 79 - QG2 VAL 68 OK 41 89 - 47 - 6494/2.1=23, 6463/6152=4...(12) HB2 MET 50 - QG2 VAL 68 OK 37 100 - 38 - 5699/4.3=23, 6138/2.1=5...(6) HG12 ILE 27 - QG2 VAL 68 OK 28 99 - 28 - 1.8/6127=6, 5452/2.1=5...(7) HG3 GLN 19 - QG2 VAL 68 OK 16 100 - 16 - 5.2/4728=8, 6035/6034=1...(4) HD2 LYS 41 - QG2 VAL 68 poor 10 71 - 13 - 5.8/6171=3, 6138/2.1=3...(5) HD3 LYS 41 - QG2 VAL 68 poor 10 71 - 13 - 5.8/6171=3, 6138/2.1=3...(5) HD2 LYS 94 - QG2 VAL 68 lone 6 68 - 8 - 6.1/6169=3 HD3 LYS 94 - QG2 VAL 68 lone 6 68 - 8 - 6.1/6169=3 HB3 LYS 61 - QG2 VAL 68 lone 5 99 - 5 - HG3 ARG 57 - QG2 VAL 68 lone 2 60 - 3 - Peak 6130 from cnoeabs.peaks (2.20, 0.29, 19.51 ppm; 4.93 A): 6 out of 7 assignments used, quality = 0.93: HB VAL 30 + QG2 VAL 68 OK 78 97 - 81 - ~5110=21, 5106=21...(21) HB2 PRO 49 + QG2 VAL 68 OK 33 89 - 38 - 6139/2.1=8, 5438/5450=6...(10) HG2 GLU 65 + QG2 VAL 68 OK 28 97 - 29 - 5.0/6034=12, 3.9/6001=11...(4) HB3 GLN 48 + QG2 VAL 68 OK 15 99 - 15 - 3.8/4283=4, 6139/2.1=2...(5) HB2 PHE 88 + QG2 VAL 68 OK 13 68 - 19 - 5.8/6153=4, 6714/6123=3...(5) HG3 GLU 87 + QG2 VAL 68 OK 10 99 - 10 - 5732/6123=1, 5740/5760=1 HG3 PRO 92 - QG2 VAL 68 lone 4 57 - 6 - 2.3/5106=1, ~6147=1 Peak 6131 from cnoeabs.peaks (0.54, 0.01, 20.65 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.90: HG13 ILE 40 + QG1 VAL 68 OK 90 100 - 90 - 2.1/5455=40, 5453=36...(17) Peak 6132 from cnoeabs.peaks (0.76, 0.01, 20.65 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.87: QD1 ILE 40 + QG1 VAL 68 OK 85 97 - 88 - 5455=47, 2.1/6131=24...(24) QD1 LEU 53 + QG1 VAL 68 OK 17 98 - 17 - ~5823=3, 5827/2.1=3, 5193/5224=1 QD1 ILE 93 - QG1 VAL 68 poor 8 63 - 13 - ~6847=3, ~6123=2...(5) Peak 6133 from cnoeabs.peaks (0.84, 0.01, 20.65 ppm; 2.84 A): 5 out of 10 assignments used, quality = 0.97: QG2 ILE 16 + QG1 VAL 68 OK 57 93 - 61 - 3.1/4596=15, 3.2/4594=9...(17) QD1 ILE 51 + QG1 VAL 68 OK 49 63 - 78 - 2.1/5756=18, 5761=15...(24) QG2 VAL 30 + QG1 VAL 68 OK 48 100 - 48 - 5107/2.1=9, 2.1/5110=8...(18) QG1 VAL 30 + QG1 VAL 68 OK 46 100 - 46 - 5109/2.1=8, 5110=8...(16) QG2 ILE 40 + QG1 VAL 68 OK 45 63 - 72 - 3.3/5455=19, 5451=19...(14) QG2 ILE 37 - QG1 VAL 68 OK 27 100 - 27 - 1932/2.1=4, 3.2/6136=2...(10) QG1 VAL 18 - QG1 VAL 68 OK 24 68 - 35 - ~6122=8, 2.1/4726=8...(10) QD2 LEU 62 - QG1 VAL 68 OK 21 99 - 21 - 2.1/6134=4, ~6125=2...(5) QG2 ILE 80 - QG1 VAL 68 OK 16 100 - 16 - 3.2/6148=2, 6518/5218=1...(4) QG2 VAL 25 - QG1 VAL 68 OK 14 68 - 20 - ~4911=4, 5110=3...(6) Peak 6134 from cnoeabs.peaks (1.02, 0.01, 20.65 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.95: HG12 ILE 51 + QG1 VAL 68 OK 95 100 - 95 - 5756=35, 2.1/5761=33...(24) QD1 LEU 62 - QG1 VAL 68 OK 21 81 - 26 - 6116/3.2=4, 2.1/6133=3...(14) QG2 THR 55 - QG1 VAL 68 OK 18 97 - 18 - 6182/4.3=3, 6116/3.2=3...(5) Peak 6135 from cnoeabs.peaks (1.25, 0.01, 20.65 ppm; 4.00 A): 3 out of 6 assignments used, quality = 0.71: HG13 ILE 16 + QG1 VAL 68 OK 53 60 - 89 - 2.1/4596=38, 1.8/4594=24...(16) QB ALA 98 + QG1 VAL 68 OK 23 85 - 28 - 6115/4.0=9, 7004/6158=5...(7) HG3 LYS 86 + QG1 VAL 68 OK 18 100 - 18 - 6126/2.1=5, 3.0/5758=4...(5) HG3 LYS 35 - QG1 VAL 68 lone 7 85 - 8 - 5442/5455=5, 6115/4.0=1 QG2 THR 26 - QG1 VAL 68 lone 6 87 - 7 - 6115/4.0=1, 4918/4572=1 QG2 THR 59 - QG1 VAL 68 lone 6 73 - 8 - 6126/2.1=3, 6120/2.1=2 Peak 6136 from cnoeabs.peaks (1.16, 0.01, 20.65 ppm; 4.25 A): 5 out of 5 assignments used, quality = 0.96: QG2 THR 15 + QG1 VAL 68 OK 74 99 - 75 - 4547/4.0=22, 4.1/4572=21...(15) HG13 ILE 37 + QG1 VAL 68 OK 45 93 - 48 - 6127/2.1=7, 6112/4.0=6...(16) HG13 ILE 27 + QG1 VAL 68 OK 38 100 - 38 - 1.8/5452=6, 4975/5455=6...(13) HB2 LEU 21 + QG1 VAL 68 OK 36 99 - 37 - 6127/2.1=6, 6112/4.0=4...(14) HB3 LEU 21 + QG1 VAL 68 OK 35 97 - 36 - 6127/2.1=6, ~6127=4...(14) Peak 6137 from cnoeabs.peaks (1.45, 0.01, 20.65 ppm; 3.42 A): 4 out of 13 assignments used, quality = 1.00: HB ILE 51 + QG1 VAL 68 OK 92 97 - 94 - 3.2/5761=24, 2.1/5754=23...(33) HG13 ILE 51 + QG1 VAL 68 OK 88 93 - 94 - 2.1/5761=32, 1.8/5756=29...(26) QG2 THR 67 + QG1 VAL 68 OK 62 100 - 62 - 4280/4.0=13, 3.2/6158=12...(15) QB ALA 31 + QG1 VAL 68 OK 53 90 - 59 - 2.1/5101=16, 5102=14...(16) HB2 LYS 41 - QG1 VAL 68 OK 23 78 - 29 - 4.0/5456=11, 5436/5451=2...(9) HG12 ILE 80 - QG1 VAL 68 OK 17 100 - 17 - 3.8/6148=2, 4601/4596=2...(4) HD3 LYS 86 - QG1 VAL 68 OK 10 68 - 15 - 5758=4, 3.0/6135=3...(6) HG3 LYS 94 - QG1 VAL 68 lone 6 99 - 6 - 4.9/6174=2 HG3 LYS 63 - QG1 VAL 68 lone 5 93 - 5 - HG2 LYS 63 - QG1 VAL 68 lone 5 93 - 5 - HG2 LYS 44 - QG1 VAL 68 lone 3 71 - 4 - HG3 LYS 61 - QG1 VAL 68 lone 1 68 - 2 - HG2 LYS 61 - QG1 VAL 68 lone 1 65 - 2 - Peak 6138 from cnoeabs.peaks (1.64, 0.01, 20.65 ppm; 3.71 A): 2 out of 9 assignments used, quality = 0.97: HG12 ILE 40 + QG1 VAL 68 OK 94 100 - 94 - 2.1/5455=43, 1.8/6131=39...(22) HB VAL 18 + QG1 VAL 68 OK 58 100 - 58 - 2.1/4726=17, ~6122=15...(13) HB2 MET 50 - QG1 VAL 68 OK 34 99 - 35 - 5699/4.3=15, 5696/5456=6...(9) QB ALA 79 - QG1 VAL 68 OK 25 68 - 36 - 6494=11, 6493/4596=6...(10) HG12 ILE 27 - QG1 VAL 68 OK 22 90 - 24 - 5452=5, 1.8/6136=5...(6) HD3 LYS 41 - QG1 VAL 68 OK 17 90 - 19 - 5.8/5456=9, 3.8/6137=2...(5) HD2 LYS 41 - QG1 VAL 68 OK 17 90 - 19 - 5.8/5456=9, 3.8/6137=2...(5) HG3 GLN 19 - QG1 VAL 68 lone 4 100 - 4 - 6129/2.1=1 HB3 LYS 61 - QG1 VAL 68 lone 3 90 - 3 - Peak 6139 from cnoeabs.peaks (2.22, 0.01, 20.65 ppm; 5.43 A): 5 out of 7 assignments used, quality = 0.84: HB2 PRO 49 + QG1 VAL 68 OK 54 100 - 55 - 5438/5451=16...(11) HB VAL 30 + QG1 VAL 68 OK 47 57 - 83 - 2.1/5110=33, ~5107=15...(21) HG2 GLU 65 + QG1 VAL 68 OK 12 57 - 21 - 3.9/6157=5, 5.0/6177=5...(5) HG2 GLU 58 + QG1 VAL 68 OK 12 92 - 13 - 5902/4593=4, 4238/4.0=3...(4) HB3 GLN 48 + QG1 VAL 68 OK 12 65 - 18 - 3.8/4284=4, 6130/2.1=3...(9) HG3 GLU 87 - QG1 VAL 68 poor 8 71 - 11 - 5736/5756=2, 6130/2.1=2...(5) HG3 GLU 23 - QG1 VAL 68 lone 4 57 - 7 - 4828/6147=1 Peak 6140 from cnoeabs.peaks (2.78, 0.29, 19.51 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.99: HB3 PHE 34 + QG2 VAL 68 OK 96 99 - 97 - 5218/2.1=42, 2.4/6152=34...(20) HB3 PHE 70 + QG2 VAL 68 OK 77 100 - 78 - ~6161=26, 6149/2.1=19...(14) HB2 ASP 32 - QG2 VAL 68 poor 10 78 - 13 - 6149/2.1=3, 719/5223=2...(4) HB3 ASP 84 - QG2 VAL 68 lone 10 100 - 10 - 6237/6125=2, 6149/2.1=2 Peak 6141 from cnoeabs.peaks (3.41, 0.29, 19.51 ppm; 5.33 A): 2 out of 4 assignments used, quality = 0.99: HB2 PHE 34 + QG2 VAL 68 OK 98 100 - 98 - 5220/2.1=47, ~5218=36...(19) HB2 PHE 70 + QG2 VAL 68 OK 64 78 - 81 - ~6161=30, 1.8/6140=18...(12) HA ILE 80 - QG2 VAL 68 OK 30 100 - 30 - 6148/2.1=6, 3.0/6497=4...(11) HB2 PHE 83 - QG2 VAL 68 OK 28 92 - 31 - 4.4/6153=6, 6148/2.1=5...(11) Peak 6142 from cnoeabs.peaks (3.62, 4.25, 61.01 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.80: HB3 SER 69 + HA VAL 68 OK 76 99 - 77 - 914/3.6=42, ~6202=23...(5) HA ALA 76 + HA VAL 68 OK 15 76 - 20 - ~6162=5, ~6398=4...(6) HA2 GLY 90 - HA VAL 68 lone 3 85 - 3 - Peak 6146 from cnoeabs.peaks (3.90, 0.01, 20.65 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.95: HA ALA 31 + QG1 VAL 68 OK 91 100 - 91 - 5101=46, 2.1/5102=35...(18) HB3 SER 75 + QG1 VAL 68 OK 32 97 - 33 - 6350/6161=7, 4.6/6162=7...(13) HA2 GLY 38 + QG1 VAL 68 OK 14 71 - 20 - 5327/6161=3, ~154=3...(6) HD3 PRO 73 - QG1 VAL 68 poor 10 92 - 11 - 4795/6161=1, 1162/5224=1...(4) HA2 GLY 85 - QG1 VAL 68 lone 9 93 - 9 - 5723/5761=1, ~5996=1 Peak 6147 from cnoeabs.peaks (3.79, 0.01, 20.65 ppm; 4.52 A): 1 out of 7 assignments used, quality = 0.96: HA ILE 40 + QG1 VAL 68 OK 96 100 - 96 - 5448=44, 3.2/5451=41...(18) HA2 GLY 22 - QG1 VAL 68 OK 24 93 - 26 - 4836/3.2=7, ~62=5...(7) HA LYS 77 - QG1 VAL 68 lone 9 100 - 9 - 4859/6161=2, 2040/5455=1 HD2 PRO 92 - QG1 VAL 68 lone 5 100 - 5 - 2040/5455=2 HA2 GLY 60 - QG1 VAL 68 lone 5 76 - 6 - ~6170=2, 5937/5756=2 HA SER 89 - QG1 VAL 68 lone 3 97 - 3 - HB3 SER 11 - QG1 VAL 68 lone 2 100 - 2 - Peak 6148 from cnoeabs.peaks (3.42, 0.01, 20.65 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.98: HB2 PHE 34 + QG1 VAL 68 OK 93 100 - 93 - 5220=41, 1.8/5218=34...(19) HB2 PHE 70 + QG1 VAL 68 OK 71 89 - 80 - 2.5/6161=28, 4.1/6234=19...(15) HA ILE 80 - QG1 VAL 68 OK 27 100 - 27 - 6498/4596=7, 6141/2.1=3...(10) HB2 PHE 83 - QG1 VAL 68 OK 23 97 - 24 - 4.4/4719=5, 6141/2.1=3...(10) HB2 SER 89 - QG1 VAL 68 lone 3 57 - 5 - 6726/5451=1 Peak 6149 from cnoeabs.peaks (2.78, 0.01, 20.65 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.98: HB3 PHE 34 + QG1 VAL 68 OK 92 99 - 93 - 5218=38, 1.8/5220=34...(22) HB3 PHE 70 + QG1 VAL 68 OK 79 100 - 79 - 2.5/6161=27, 4.1/6234=19...(14) HB2 ASP 32 - QG1 VAL 68 OK 11 78 - 14 - 4434/5101=3, 5124/5102=3...(6) HB3 ASP 84 - QG1 VAL 68 lone 8 100 - 7 - 6140/2.1=1 Peak 6151 from cnoeabs.peaks (5.23, 0.01, 20.65 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.96: HA SER 69 + QG1 VAL 68 OK 96 100 - 96 - 6197=44, 3.0/318=43...(14) HD1 TRP 82 - QG1 VAL 68 lone 5 68 - 7 - 4839/4719=2, 6.6/6161=1 Peak 6152 from cnoeabs.peaks (7.42, 0.29, 19.51 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.90: QD PHE 34 + QG2 VAL 68 OK 87 99 - 87 - 4685/2.1=33, ~5220=19...(23) H ALA 76 + QG2 VAL 68 OK 17 81 - 21 - 6162/2.1=7, ~6142=2...(6) H THR 46 + QG2 VAL 68 OK 10 100 - 10 - 6162/2.1=3, 5712/5760=2 Peak 6153 from cnoeabs.peaks (6.98, 0.29, 19.51 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.95: QE PHE 70 + QG2 VAL 68 OK 86 95 - 91 - ~4780=29, ~6161=24...(21) QE PHE 83 + QG2 VAL 68 OK 41 100 - 41 - 4719/2.1=10, 6163/2.1=7...(14) HZ PHE 88 + QG2 VAL 68 OK 38 100 - 38 - 6163/2.1=6, 6160/2.1=5...(17) HD21 ASN 52 - QG2 VAL 68 OK 24 100 - 24 - 5.5/5766=13, 6160/2.1=3...(4) HE22 GLN 48 - QG2 VAL 68 OK 14 100 - 13 - 6160/2.1=2, 6163/2.1=2...(4) HE22 GLN 19 - QG2 VAL 68 lone 6 63 - 10 - 6.6/4728=6, 3.5/6129=2 HD21 ASN 24 - QG2 VAL 68 lone 6 93 - 6 - 5.7/6169=1 Peak 6154 from cnoeabs.peaks (6.87, 0.29, 19.51 ppm; 4.07 A): 4 out of 4 assignments used, quality = 0.89: QE PHE 34 + QG2 VAL 68 OK 74 97 - 76 - 2.2/6152=27, ~4685=22...(18) HZ PHE 34 + QG2 VAL 68 OK 37 81 - 46 - 3.8/6152=19, 2.2/4691=8...(12) QE TYR 54 + QG2 VAL 68 OK 19 81 - 23 - 5849/6155=6, 4696/6105=4...(7) H VAL 25 + QG2 VAL 68 OK 18 65 - 28 - 3.9/4911=9, 4.0/4908=5...(8) Peak 6155 from cnoeabs.peaks (5.75, 0.29, 19.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.91: HA THR 67 + QG2 VAL 68 OK 91 100 - 92 - 311/4.0=38, 6107=31...(20) Peak 6156 from cnoeabs.peaks (5.57, 0.29, 19.51 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.80: HA ALA 66 + QG2 VAL 68 OK 62 81 - 77 - 3.6/6105=23, 3.0/6034=19...(15) HA THR 15 + QG2 VAL 68 OK 46 60 - 78 - 6164/4.0=34, 6207/4.3=27...(9) Peak 6157 from cnoeabs.peaks (5.54, 0.01, 20.65 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.93: HA THR 15 + QG1 VAL 68 OK 91 100 - 91 - 3.6/4572=37, 6164/4.0=35...(17) HA GLU 65 + QG1 VAL 68 OK 19 71 - 26 - 6001/2.1=10, 3.6/6177=6...(5) Peak 6158 from cnoeabs.peaks (5.75, 0.01, 20.65 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.96: HA THR 67 + QG1 VAL 68 OK 96 100 - 96 - 311/4.0=46, 6155/2.1=46...(24) Peak 6159 from cnoeabs.peaks (6.84, 0.01, 20.65 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.90: HZ PHE 70 + QG1 VAL 68 OK 84 93 - 90 - 4780=42, 4776/2.1=22...(21) H VAL 25 + QG1 VAL 68 OK 27 100 - 27 - 3.9/5110=5, 5405/5455=3...(12) QE TYR 54 + QG1 VAL 68 OK 17 97 - 17 - 5849/6158=5, 6068/6137=2...(6) Peak 6160 from cnoeabs.peaks (6.97, 0.01, 20.65 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.95: QE PHE 70 + QG1 VAL 68 OK 88 100 - 88 - 2.2/4780=33, 2.2/6161=26...(26) QE PHE 83 + QG1 VAL 68 OK 43 96 - 45 - 4719=9, 6153/2.1=5...(21) HZ PHE 88 + QG1 VAL 68 OK 31 99 - 31 - 6153/2.1=4, 2.2/4719=4...(17) HZ PHE 83 - QG1 VAL 68 OK 21 73 - 29 - 2.2/4719=7, ~6163=3...(11) QE PHE 88 - QG1 VAL 68 OK 20 76 - 27 - 4719=5, ~6153=3, ~6163=3...(11) HD21 ASN 52 - QG1 VAL 68 OK 19 93 - 20 - 5.5/5767=11, 6153/2.1=3 HE22 GLN 48 - QG1 VAL 68 OK 12 99 - 12 - 6153/2.1=2, 6163/2.1=1 HD21 ASN 24 - QG1 VAL 68 lone 5 76 - 6 - 5.7/6174=2 Peak 6161 from cnoeabs.peaks (7.06, 0.01, 20.65 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.88: QD PHE 70 + QG1 VAL 68 OK 88 95 - 93 - 3.8/4780=30, 2.2/4719=21...(24) HZ3 TRP 82 - QG1 VAL 68 lone 7 65 - 10 - 5403/5455=1, 5391/5451=1 Peak 6162 from cnoeabs.peaks (7.44, 0.01, 20.65 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.95: QD PHE 34 + QG1 VAL 68 OK 95 99 - 96 - 4685=49, 2.4/5220=33...(24) H ALA 76 - QG1 VAL 68 OK 37 99 - 37 - 4635/4596=5, 6152/2.1=5...(15) H THR 46 - QG1 VAL 68 OK 14 93 - 15 - 6152/2.1=3, 5712/5761=2...(5) Peak 6163 from cnoeabs.peaks (6.99, 1.35, 34.59 ppm; 4.95 A): 5 out of 8 assignments used, quality = 0.94: QE PHE 70 + HB VAL 68 OK 80 89 - 91 - ~4780=33, ~6161=27...(13) QE PHE 83 + HB VAL 68 OK 40 100 - 40 - 4719/2.1=10, 6153/2.1=8...(11) HZ PHE 88 + HB VAL 68 OK 33 100 - 33 - 6153/2.1=7, 6160/2.1=5...(10) HD21 ASN 52 + HB VAL 68 OK 12 100 - 12 - 6153/2.1=5, 6160/2.1=3 HE22 GLN 48 + HB VAL 68 OK 11 99 - 11 - 6153/2.1=3, 6160/2.1=2 HD21 ASN 24 - HB VAL 68 lone 5 97 - 5 - 6153/2.1=1 HE22 GLN 19 - HB VAL 68 lone 2 73 - 3 - 6153/2.1=1 QE PHE 17 - HB VAL 68 lone 2 60 - 4 - Peak 6168 from cnoeabs.peaks (8.81, 1.35, 34.59 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.94: H ILE 16 + HB VAL 68 OK 89 100 - 90 - 7169=40, 4572/2.1=38...(9) H ASN 43 + HB VAL 68 OK 30 99 - 30 - 6176/2.1=9, 6172/2.1=9...(6) H GLU 28 + HB VAL 68 OK 22 95 - 23 - 6176/2.1=7, 6172/2.1=7...(5) Peak 6169 from cnoeabs.peaks (8.37, 0.29, 19.51 ppm; 4.76 A): 3 out of 5 assignments used, quality = 0.96: H ASN 52 + QG2 VAL 68 OK 90 100 - 90 - 5766=33, 5767/2.1=33...(17) H LYS 35 + QG2 VAL 68 OK 44 78 - 56 - 4.3/6152=23, 4.6/5223=13...(8) H LYS 94 + QG2 VAL 68 OK 39 95 - 42 - 4.4/6847=9, 6174/2.1=6...(12) H ASN 24 - QG2 VAL 68 OK 13 76 - 18 - 6174/2.1=5, 4.6/6154=3...(6) H ASN 14 - QG2 VAL 68 lone 6 76 - 8 - 4.6/6170=4, 4.6/3040=1 Peak 6170 from cnoeabs.peaks (8.43, 0.29, 19.51 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.97: H THR 67 + QG2 VAL 68 OK 91 100 - 91 - 3.0/6155=36, 6105=29...(22) H THR 15 + QG2 VAL 68 OK 39 76 - 51 - ~6157=17, 4.6/6172=14...(6) H ASP 71 + QG2 VAL 68 OK 36 87 - 42 - 3.6/7116=13, 4.3/6140=10...(8) H GLY 60 - QG2 VAL 68 OK 21 100 - 20 - 4.2/6126=3, 264/4.0=3...(7) H ILE 93 - QG2 VAL 68 OK 20 73 - 28 - 4.0/6847=11, 4.7/6169=5...(5) H GLY 90 - QG2 VAL 68 lone 4 100 - 4 - Peak 6171 from cnoeabs.peaks (8.70, 0.29, 19.51 ppm; 5.61 A): 3 out of 4 assignments used, quality = 0.99: H ALA 31 + QG2 VAL 68 OK 90 99 - 91 - ~5101=29, ~5102=29...(22) H ILE 40 + QG2 VAL 68 OK 75 93 - 80 - ~5448=31, 4.0/5450=24...(15) H LYS 41 + QG2 VAL 68 OK 52 83 - 63 - 5456/2.1=36, 4.1/5450=24...(12) H GLN 19 - QG2 VAL 68 OK 39 65 - 60 - 4728=13, 4.3/4712=12...(13) Peak 6172 from cnoeabs.peaks (8.82, 0.29, 19.51 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.95: H ILE 16 + QG2 VAL 68 OK 89 100 - 90 - 4572/2.1=40, 7169/2.1=39...(13) H ASN 43 + QG2 VAL 68 OK 37 97 - 38 - 6176/2.1=9, 6168/2.1=9...(10) H GLU 28 + QG2 VAL 68 OK 29 89 - 32 - 6176/2.1=8, 6168/2.1=6...(8) Peak 6173 from cnoeabs.peaks (8.93, 0.29, 19.51 ppm; 5.16 A): 3 out of 5 assignments used, quality = 0.96: H VAL 18 + QG2 VAL 68 OK 74 100 - 75 - 4684/4.0=19...(16) H ALA 66 + QG2 VAL 68 OK 71 95 - 75 - 6034=19, 3.0/6156=18...(19) H PHE 70 + QG2 VAL 68 OK 48 60 - 80 - 4.6/4283=26, 6234/2.1=21...(16) H SER 96 - QG2 VAL 68 OK 39 100 - 40 - 4.2/6125=12, 6946=5...(12) H ASP 56 - QG2 VAL 68 OK 24 98 - 24 - 3.6/7116=5, 6177/2.1=4...(6) Peak 6174 from cnoeabs.peaks (8.38, 0.01, 20.65 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.94: H ASN 52 + QG1 VAL 68 OK 90 97 - 93 - 5767=48, 4.1/5754=35...(12) H LYS 94 + QG1 VAL 68 OK 25 78 - 32 - 6169/2.1=8, 4212/5754=5...(7) H ASN 24 + QG1 VAL 68 OK 22 93 - 23 - 4.6/6159=7, 6169/2.1=3...(8) H ASN 14 - QG1 VAL 68 lone 4 93 - 4 - 6169/2.1=1 Peak 6175 from cnoeabs.peaks (8.69, 0.01, 20.65 ppm; 4.56 A): 3 out of 3 assignments used, quality = 0.98: H LYS 41 + QG1 VAL 68 OK 82 97 - 85 - 5456=35, 4.1/5451=34...(17) H ALA 31 + QG1 VAL 68 OK 72 89 - 82 - 3.0/5101=29, 2.9/5102=28...(19) H ILE 40 + QG1 VAL 68 OK 65 73 - 89 - 4.0/5451=35, 4.7/5455=31...(15) Peak 6176 from cnoeabs.peaks (8.82, 0.01, 20.65 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.98: H ILE 16 + QG1 VAL 68 OK 98 100 - 98 - 4572=50, 7169/2.1=39...(21) H ASN 43 - QG1 VAL 68 OK 41 97 - 42 - 6172/2.1=9, 6168/2.1=8...(13) H GLU 28 - QG1 VAL 68 OK 33 89 - 38 - 6172/2.1=7, 6168/2.1=6...(12) Peak 6177 from cnoeabs.peaks (8.94, 0.01, 20.65 ppm; 5.48 A): 3 out of 5 assignments used, quality = 0.98: H PHE 70 + QG1 VAL 68 OK 83 85 - 98 - 6234=41, 4.6/318=40...(27) H VAL 18 + QG1 VAL 68 OK 75 99 - 75 - 3.9/4726=32, 4684/4.0=21...(16) H ALA 66 + QG1 VAL 68 OK 52 76 - 69 - ~6156=15, 6034/2.1=15...(15) H SER 96 - QG1 VAL 68 OK 33 92 - 36 - 6944/4726=13...(7) H ASP 56 - QG1 VAL 68 OK 31 100 - 30 - 4.1/6134=6, 3.6/7117=4...(8) Peak 6183 from cnoeabs.peaks (1.62, 5.24, 57.27 ppm; 4.97 A): 5 out of 6 assignments used, quality = 0.90: HD2 LYS 41 + HA SER 69 OK 47 97 - 48 - ~7184=14, 7085/3.0=9...(9) HD3 LYS 41 + HA SER 69 OK 47 97 - 48 - ~7184=14, 7085/3.0=9...(9) HG12 ILE 40 + HA SER 69 OK 39 73 - 53 - ~5387=18, ~6198=9...(12) QB ALA 76 + HA SER 69 OK 35 90 - 39 - 6402/3.6=19...(4) HB VAL 18 + HA SER 69 OK 10 81 - 12 - 4577/4561=3, 3.9/4285=2...(4) HD2 LYS 63 - HA SER 69 lone 5 78 - 6 - 6221/3.6=1, 4563/4554=1 Peak 6184 from cnoeabs.peaks (1.16, 5.24, 57.27 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.95: QG2 THR 15 + HA SER 69 OK 93 100 - 93 - 4551=47, 3.2/6204=32...(16) HB2 LEU 21 + HA SER 69 OK 27 100 - 27 - 6181/3.0=4, ~317=3...(14) HB3 LEU 21 - HA SER 69 OK 27 100 - 27 - 6181/3.0=3, ~317=3...(13) HG13 ILE 37 - HA SER 69 OK 16 76 - 21 - 6181/3.0=4, 6222/3.6=3...(10) HG13 ILE 27 - HA SER 69 OK 15 100 - 15 - 6181/3.0=2, 4097/4561=2...(7) QG2 THR 46 - HA SER 69 lone 1 65 - 2 - Peak 6185 from cnoeabs.peaks (2.39, 3.70, 64.22 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.95: HG3 MET 50 + HB2 SER 69 OK 94 99 - 95 - 5688/1.8=33, ~5678=30...(14) HB3 ASP 71 + HB2 SER 69 OK 14 97 - 15 - 6191/1.8=7, 6272/6190=3...(5) HG2 PRO 73 - HB2 SER 69 poor 6 57 - 11 - 1.8/6318=3, 6191/1.8=2...(4) HG3 GLN 48 - HB2 SER 69 lone 6 78 - 7 - 5.0/3054=2, ~5606=1, 3.5/7050=1 HB3 PRO 74 - HB2 SER 69 lone 5 99 - 5 - 6191/1.8=2, 3.9/340=1 Peak 6186 from cnoeabs.peaks (2.28, 3.70, 64.22 ppm; 5.11 A): 1 out of 6 assignments used, quality = 0.96: HG2 MET 50 + HB2 SER 69 OK 96 100 - 96 - ~5678=32, 1.8/6185=31...(14) HB3 LYS 86 - HB2 SER 69 OK 11 99 - 11 - 6192/1.8=4, 2.8/6189=2 HB3 PRO 73 - HB2 SER 69 lone 7 76 - 10 - 2.3/6318=3, 2.3/6315=2, ~6191=2 HG3 GLU 23 - HB2 SER 69 lone 7 73 - 9 - 6192/1.8=3, ~5678=1...(4) HG2 GLU 28 - HB2 SER 69 lone 7 95 - 7 - 6192/1.8=3 HG3 GLN 36 - HB2 SER 69 lone 2 63 - 3 - Peak 6187 from cnoeabs.peaks (2.03, 3.70, 64.22 ppm; 3.80 A): 2 out of 7 assignments used, quality = 0.95: HB3 MET 50 + HB2 SER 69 OK 85 100 - 85 - 5678/1.8=37, ~5676=21...(13) QE MET 50 + HB2 SER 69 OK 69 100 - 70 - 5693/1.8=23, 3.3/6185=14...(11) HB2 GLU 23 - HB2 SER 69 lone 4 76 - 5 - 5678/1.8=2 HB2 LYS 35 - HB2 SER 69 lone 3 78 - 3 - 6180/4.0=1 HG2 PRO 49 - HB2 SER 69 lone 2 71 - 3 - 6193/1.8=1 HG2 PRO 92 - HB2 SER 69 lone 2 100 - 2 - HB3 GLN 36 - HB2 SER 69 lone 2 95 - 2 - Peak 6188 from cnoeabs.peaks (1.64, 3.70, 64.22 ppm; 3.74 A): 3 out of 9 assignments used, quality = 0.95: HB2 MET 50 + HB2 SER 69 OK 84 97 - 87 - 5676/1.8=29, ~5678=24...(15) HD2 LYS 41 + HB2 SER 69 OK 45 95 - 48 - ~7184=9, 3.8/6189=9...(11) HD3 LYS 41 + HB2 SER 69 OK 45 95 - 48 - ~7184=9, 3.8/6189=9...(11) HG12 ILE 40 - HB2 SER 69 OK 26 100 - 26 - 5452/6202=5, 3.2/6201=4...(7) HG12 ILE 27 - HB2 SER 69 poor 9 85 - 10 - 1.8/6190=2, ~4951=1...(6) HB VAL 18 - HB2 SER 69 lone 8 100 - 8 - 6138/6202=1 QB ALA 79 - HB2 SER 69 lone 4 60 - 7 - 6494/6202=3, 6179/4.0=2 HG3 GLN 19 - HB2 SER 69 lone 2 99 - 2 - HB3 LYS 61 - HB2 SER 69 lone 1 85 - 1 - Peak 6189 from cnoeabs.peaks (1.47, 3.70, 64.22 ppm; 4.24 A): 4 out of 8 assignments used, quality = 0.84: HB2 LYS 41 + HB2 SER 69 OK 69 100 - 69 - 5474/1.8=25, ~7083=22...(14) QB ALA 31 + HB2 SER 69 OK 23 97 - 24 - 6195/1.8=6, 5102/6202=5...(5) HB ILE 51 + HB2 SER 69 OK 20 90 - 22 - 5750/6202=5, 6195/1.8=5...(7) QG2 THR 67 + HB2 SER 69 OK 20 81 - 24 - 6065/4.0=8, 6195/1.8=5...(4) HG12 ILE 80 - HB2 SER 69 lone 8 81 - 9 - 6195/1.8=2, 3.2/6201=2, ~6203=1 HG2 LYS 86 - HB2 SER 69 lone 7 78 - 9 - 2.8/6186=2, ~6192=2...(4) HG2 LYS 44 - HB2 SER 69 lone 6 100 - 6 - 6195/1.8=1, 3.7/7144=1 HG LEU 53 - HB2 SER 69 lone 1 68 - 2 - Peak 6190 from cnoeabs.peaks (1.18, 3.70, 64.22 ppm; 4.55 A): 4 out of 6 assignments used, quality = 0.93: HB3 LYS 41 + HB2 SER 69 OK 72 95 - 76 - 7083/1.8=32, ~5474=23...(13) QG2 THR 15 + HB2 SER 69 OK 56 68 - 82 - 4551/3.0=24, 3.2/6205=20...(11) HG13 ILE 37 + HB2 SER 69 OK 29 100 - 28 - 5316/3.0=6, 6181/4.0=4...(9) HB2 LEU 21 + HB2 SER 69 OK 23 68 - 34 - 3.1/1474=6, 3.0/1460=5...(11) HB3 LEU 21 - HB2 SER 69 OK 21 63 - 34 - 3.1/1474=6, 3.0/1460=5...(11) HG13 ILE 27 - HB2 SER 69 OK 15 78 - 18 - 6181/4.0=3, 6196/1.8=3...(9) Peak 6191 from cnoeabs.peaks (2.38, 3.63, 64.22 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.95: HG3 MET 50 + HB3 SER 69 OK 95 100 - 95 - 2.9/5678=41, 5688=36...(13) HB3 ASP 71 - HB3 SER 69 OK 22 100 - 22 - 6272/7083=8, 6244/6214=5...(5) HG2 PRO 73 - HB3 SER 69 lone 7 81 - 9 - ~6318=2, 6315/1.8=2...(4) HB3 PRO 74 - HB3 SER 69 lone 5 100 - 5 - 6185/1.8=1 Peak 6192 from cnoeabs.peaks (2.27, 3.63, 64.22 ppm; 5.07 A): 1 out of 5 assignments used, quality = 0.95: HG2 MET 50 + HB3 SER 69 OK 95 99 - 96 - 2.9/5678=43, 2.9/5676=35...(13) HB3 LYS 86 - HB3 SER 69 OK 14 90 - 16 - 5682=4, 6186/1.8=3...(7) HG2 GLU 28 - HB3 SER 69 lone 8 100 - 8 - 6186/1.8=2, 5466/5474=2 HG3 GLU 23 - HB3 SER 69 lone 8 92 - 8 - 6186/1.8=2, 3.0/5678=2 HG2 GLU 58 - HB3 SER 69 lone 1 57 - 2 - Peak 6193 from cnoeabs.peaks (2.02, 3.63, 64.22 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.97: HB3 MET 50 + HB3 SER 69 OK 87 98 - 89 - 5678=46, 1.8/5676=29...(14) QE MET 50 + HB3 SER 69 OK 74 95 - 79 - 4.1/5678=21, 5693=18...(14) HB2 GLU 23 - HB3 SER 69 lone 6 93 - 7 - 5678=2, 3.0/6192=1 HG2 PRO 49 - HB3 SER 69 lone 5 90 - 6 - 4202/6213=2 HB VAL 25 - HB3 SER 69 lone 2 68 - 3 - 2.1/6203=1, ~6201=1 HG2 PRO 92 - HB3 SER 69 lone 2 99 - 2 - HB3 GLN 36 - HB3 SER 69 lone 2 100 - 2 - Peak 6194 from cnoeabs.peaks (1.64, 3.63, 64.22 ppm; 3.69 A): 3 out of 8 assignments used, quality = 0.96: HB2 MET 50 + HB3 SER 69 OK 81 92 - 89 - 1.8/5678=35, 5676=35...(15) HD2 LYS 41 + HB3 SER 69 OK 54 98 - 55 - 3.8/7083=16, 3.8/5474=14...(11) HD3 LYS 41 + HB3 SER 69 OK 54 98 - 55 - 3.8/7083=16, 3.8/5474=14...(11) HG12 ILE 40 - HB3 SER 69 OK 25 100 - 25 - 3.2/6203=5, 6188/1.8=4...(8) HG12 ILE 27 - HB3 SER 69 lone 8 76 - 10 - 1.8/6196=2, 6188/1.8=1...(6) HB VAL 18 - HB3 SER 69 lone 5 100 - 5 - 6188/1.8=1 HG3 GLN 19 - HB3 SER 69 lone 2 96 - 2 - HB3 LYS 61 - HB3 SER 69 lone 1 76 - 2 - Peak 6195 from cnoeabs.peaks (1.47, 3.63, 64.22 ppm; 4.17 A): 4 out of 8 assignments used, quality = 0.91: HB2 LYS 41 + HB3 SER 69 OK 80 100 - 80 - 1.8/7083=28, 5474=25...(15) QB ALA 31 + HB3 SER 69 OK 25 99 - 25 - 6189/1.8=6, 2.9/6214=5...(7) QG2 THR 67 + HB3 SER 69 OK 24 89 - 27 - 6065/4.0=9, 6082/6206=5...(6) HB ILE 51 + HB3 SER 69 OK 23 96 - 24 - 6189/1.8=5, 6178/4.0=5...(8) HG12 ILE 80 - HB3 SER 69 poor 10 89 - 11 - 6189/1.8=2, 3.2/6203=1, ~6201=1 HG2 LYS 44 - HB3 SER 69 lone 6 100 - 6 - 6189/1.8=1 HG2 LYS 86 - HB3 SER 69 lone 5 68 - 8 - 2.8/6192=3, 6189/1.8=2, ~6186=1 HG3 LYS 94 - HB3 SER 69 lone 1 63 - 2 - Peak 6196 from cnoeabs.peaks (1.17, 3.63, 64.22 ppm; 4.55 A): 3 out of 6 assignments used, quality = 0.95: QG2 THR 15 + HB3 SER 69 OK 84 95 - 89 - 4551/3.0=36, 3.2/6206=23...(11) HB3 LYS 41 + HB3 SER 69 OK 56 68 - 82 - 1.8/5474=29, 7083=24...(16) HB2 LEU 21 + HB3 SER 69 OK 30 95 - 31 - 6184/3.0=5, 6181/4.0=4...(9) HG13 ILE 37 - HB3 SER 69 OK 29 98 - 29 - 5316/3.0=6, 6190/1.8=5...(10) HB3 LEU 21 - HB3 SER 69 OK 28 92 - 31 - 6184/3.0=5, ~1474=4...(9) HG13 ILE 27 - HB3 SER 69 OK 18 98 - 19 - 6181/4.0=3, 6184/3.0=3...(8) Peak 6197 from cnoeabs.peaks (0.01, 5.24, 57.27 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.96: QG1 VAL 68 + HA SER 69 OK 96 99 - 97 - 6151=47, 318/3.0=44...(14) Peak 6201 from cnoeabs.peaks (0.83, 3.70, 64.22 ppm; 5.18 A): 8 out of 8 assignments used, quality = 0.93: QG2 ILE 40 + HB2 SER 69 OK 57 92 - 63 - 5387/4.0=28...(15) QG2 ILE 16 + HB2 SER 69 OK 31 100 - 31 - 4622/6205=7, 6233/4.5=6...(6) QG1 VAL 30 + HB2 SER 69 OK 29 97 - 30 - 6199/4.0=6, 6203/1.8=5...(10) QG2 ILE 37 + HB2 SER 69 OK 28 87 - 32 - 3.2/6190=5, 6199/4.0=5...(11) QG2 VAL 30 + HB2 SER 69 OK 24 90 - 26 - 6199/4.0=5, 6203/1.8=4...(8) QG2 ILE 80 + HB2 SER 69 OK 15 95 - 16 - 6203/1.8=3, 6233/4.5=2...(5) QG2 VAL 25 + HB2 SER 69 OK 14 95 - 15 - 6203/1.8=2, 6199/4.0=2...(6) QD2 LEU 62 + HB2 SER 69 OK 13 99 - 12 - 6199/4.0=3, 6203/1.8=2 Peak 6202 from cnoeabs.peaks (0.02, 3.70, 64.22 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 68 + HB2 SER 69 OK 81 96 - 85 - 318/4.0=42, 6197/3.0=39...(10) Peak 6203 from cnoeabs.peaks (0.83, 3.63, 64.22 ppm; 5.20 A): 8 out of 8 assignments used, quality = 0.95: QG2 ILE 40 + HB3 SER 69 OK 71 97 - 73 - 5387/4.0=30, 4.1/6214=22...(17) QG2 ILE 16 + HB3 SER 69 OK 33 100 - 33 - 4622/6206=7, 6201/1.8=6...(10) QG1 VAL 30 + HB3 SER 69 OK 30 92 - 33 - 4.2/6214=6, 6199/4.0=6...(11) QG2 ILE 37 + HB3 SER 69 OK 26 76 - 34 - 6201/1.8=5, 6199/4.0=5...(12) QG2 VAL 30 + HB3 SER 69 OK 24 81 - 30 - 4.2/6214=6, 6199/4.0=5...(9) QG2 ILE 80 + HB3 SER 69 OK 14 87 - 16 - 6201/1.8=3, 6233/4.5=2...(6) QG2 VAL 25 + HB3 SER 69 OK 13 99 - 13 - 6201/1.8=3, 6199/4.0=2 QD2 LEU 62 + HB3 SER 69 OK 13 96 - 13 - 6199/4.0=3, 6201/1.8=2 Peak 6204 from cnoeabs.peaks (5.54, 5.24, 57.27 ppm; 3.26 A): 1 out of 2 assignments used, quality = 0.85: HA THR 15 + HA SER 69 OK 85 100 - 85 - 4552=38, 3.2/4551=19...(16) HA GLU 65 - HA SER 69 lone 3 76 - 3 - Peak 6205 from cnoeabs.peaks (5.54, 3.70, 64.22 ppm; 5.71 A): 1 out of 2 assignments used, quality = 0.98: HA THR 15 + HB2 SER 69 OK 98 100 - 98 - 4552/3.0=49, 6218/4.5=40...(17) HA GLU 65 - HB2 SER 69 poor 9 76 - 12 - 6206/1.8=3, 6157/6202=2...(4) Peak 6206 from cnoeabs.peaks (5.53, 3.63, 64.22 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.91: HA THR 15 + HB3 SER 69 OK 91 97 - 94 - 4552/3.0=45, 6205/1.8=32...(13) HA GLU 65 - HB3 SER 69 lone 7 95 - 8 - 6205/1.8=3, 6204/3.0=1 Peak 6211 from cnoeabs.peaks (8.82, 5.24, 57.27 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.90: H ILE 16 + HA SER 69 OK 87 100 - 87 - 4561=42, 3.6/6204=34...(8) H ASN 43 + HA SER 69 OK 22 98 - 22 - 5520/3.0=6, 6216/3.6=5...(8) H GLU 28 - HA SER 69 lone 9 90 - 10 - 4046/4551=2, 6216/3.6=2...(4) Peak 6212 from cnoeabs.peaks (8.84, 3.70, 64.22 ppm; 5.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6213 from cnoeabs.peaks (8.86, 3.63, 64.22 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.80: H MET 50 + HB3 SER 69 OK 76 87 - 88 - 4.0/5678=41, 4.0/5676=33...(9) H PHE 97 + HB3 SER 69 OK 14 57 - 24 - 6208/4.0=6, 2458/5678=4...(7) Peak 6214 from cnoeabs.peaks (8.68, 3.63, 64.22 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.87: H LYS 41 + HB3 SER 69 OK 83 100 - 83 - 4.0/7083=30, 5484/4.5=28...(14) H ALA 31 + HB3 SER 69 OK 22 68 - 33 - 2.9/6195=6, 6215/4.5=5...(10) Peak 6223 from cnoeabs.peaks (2.38, 3.44, 41.65 ppm; 5.35 A): 2 out of 5 assignments used, quality = 0.87: HB3 ASP 71 + HB2 PHE 70 OK 84 100 - 85 - 3.9/325=32, 6274=31...(6) HG2 PRO 73 + HB2 PHE 70 OK 19 71 - 27 - 2.3/6224=9, ~4795=4...(8) HG3 MET 50 - HB2 PHE 70 lone 10 100 - 10 - 926/4.3=6 HB3 PRO 74 - HB2 PHE 70 lone 9 100 - 9 - 3.0/7118=3, 926/4.3=3 HG3 GLN 48 - HB2 PHE 70 lone 1 65 - 2 - Peak 6224 from cnoeabs.peaks (3.87, 3.44, 41.65 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.84: HB3 SER 75 + HB2 PHE 70 OK 73 95 - 78 - 6360=29, 1.8/6358=26...(9) HA ALA 31 + HB2 PHE 70 OK 24 85 - 29 - 4434/1.8=6, 4795/2.5=5...(7) HD3 PRO 73 + HB2 PHE 70 OK 24 98 - 24 - 4.8/6278=9, 2.3/6223=4...(7) HA2 GLY 85 - HB2 PHE 70 lone 3 97 - 3 - HB2 SER 11 - HB2 PHE 70 lone 1 65 - 2 - Peak 6225 from cnoeabs.peaks (1.62, 3.44, 41.65 ppm; 4.98 A): 3 out of 6 assignments used, quality = 0.96: QB ALA 76 + HB2 PHE 70 OK 79 90 - 88 - 6393/2.5=34, ~6391=28...(13) HG12 ILE 40 + HB2 PHE 70 OK 67 73 - 92 - ~5403=21, ~5416=21...(18) HD3 LYS 41 + HB2 PHE 70 OK 40 97 - 41 - 6229/2.5=8, 6221/4.1=6...(11) HD2 LYS 41 - HB2 PHE 70 OK 40 97 - 41 - 6229/2.5=8, 6221/4.1=6...(11) HB VAL 18 - HB2 PHE 70 OK 13 81 - 16 - 4716/2.5=3, 6221/4.1=2...(5) HD2 LYS 63 - HB2 PHE 70 lone 6 78 - 8 - 6229/2.5=2, 6228/1.8=1...(4) Peak 6226 from cnoeabs.peaks (3.90, 2.78, 41.65 ppm; 4.59 A): 3 out of 10 assignments used, quality = 0.95: HB3 SER 75 + HB3 PHE 70 OK 79 97 - 81 - 6360/1.8=26, 6359=24...(11) HA2 GLY 85 + HB3 ASP 84 OK 57 92 - 62 - 7165/3.0=23, ~4345=20...(5) HA ALA 31 + HB3 PHE 70 OK 43 100 - 43 - 4434=9, 5089/5446=7...(10) HA2 GLY 38 - HB3 PHE 70 OK 28 68 - 42 - ~5325=16, 5327/2.5=13...(4) HD3 PRO 73 - HB3 PHE 70 OK 18 93 - 19 - 4795/2.5=4, 6224/1.8=4...(5) HA ALA 31 - HB3 ASP 84 OK 17 98 - 17 - 4434=4, 7165/3.0=3...(5) HD3 PRO 73 - HB3 ASP 84 OK 11 91 - 11 - 7165/3.0=3, 2.3/6631=2...(5) HB3 SER 75 - HB3 ASP 84 lone 8 95 - 8 - 6359=2, 1.8/6357=1 HA2 GLY 85 - HB3 PHE 70 lone 4 95 - 4 - HA2 GLY 38 - HB3 ASP 84 lone 1 65 - 2 - Peak 6228 from cnoeabs.peaks (1.61, 2.78, 41.65 ppm; 4.77 A): 3 out of 12 assignments used, quality = 0.95: QB ALA 76 + HB3 PHE 70 OK 86 97 - 89 - 6393/2.5=36, 6374=33...(12) HG12 ILE 40 + HB3 PHE 70 OK 52 60 - 87 - 2.1/5446=21, ~5403=20...(17) HD2 LYS 41 + HB3 PHE 70 OK 32 92 - 35 - 6229/2.5=8, 6225/1.8=6...(8) HD3 LYS 41 - HB3 PHE 70 OK 32 92 - 35 - 6229/2.5=8, 6225/1.8=6...(8) QB ALA 76 - HB3 ASP 84 OK 12 94 - 12 - 6374=4, 6549/4.0=2, 2.9/6371=1 HB VAL 18 - HB3 PHE 70 poor 9 68 - 14 - 4716/2.5=3, 6225/1.8=2...(7) HD2 LYS 63 - HB3 PHE 70 lone 7 89 - 7 - 6229/2.5=1 HB VAL 18 - HB3 ASP 84 lone 4 65 - 7 - 4718/6236=2, ~6639=2 HD2 LYS 41 - HB3 ASP 84 lone 2 89 - 2 - HD3 LYS 41 - HB3 ASP 84 lone 2 89 - 2 - HD2 LYS 63 - HB3 ASP 84 lone 2 86 - 2 - HG12 ILE 40 - HB3 ASP 84 lone 2 57 - 3 - 2.1/5446=1 Peak 6229 from cnoeabs.peaks (1.61, 7.05, 131.38 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.95: QB ALA 76 + QD PHE 70 OK 93 99 - 94 - 6393=41, 2.1/6391=40...(20) HD3 LYS 41 + QD PHE 70 OK 35 84 - 42 - 5.8/5485=15, 6225/2.5=5...(14) HD2 LYS 41 - QD PHE 70 OK 35 84 - 42 - 5.8/5485=15, 6225/2.5=5...(14) HD2 LYS 63 - QD PHE 70 lone 7 94 - 7 - Peak 6230 from cnoeabs.peaks (1.66, 6.97, 130.95 ppm; 4.68 A): 4 out of 54 assignments used, quality = 0.99: HG12 ILE 40 + QE PHE 70 OK 77 86 - 90 - ~5403=20, 5406/2.2=19...(21) HB ILE 40 + QE PHE 70 OK 65 72 - 90 - ~5383=17, ~5403=16...(20) QB ALA 79 + QE PHE 70 OK 59 97 - 61 - 6465/2.2=26, 6464=13...(12) QB ALA 79 + QE PHE 83 OK 57 73 - 79 - ~4799=16, 4321/2.2=16...(21) HG12 ILE 40 - QE PHE 83 OK 34 61 - 56 - 4735/2.2=10, 5407=9...(16) HB ILE 40 - QE PHE 83 OK 26 50 - 52 - 3.2/5404=7, 3.0/5407=7...(17) HB VAL 18 - QE PHE 70 OK 26 80 - 32 - 2.1/4693=10, 2.1/4697=7...(8) HG12 ILE 40 - QE PHE 88 OK 22 57 - 38 - ~4748=6, 2.1/5404=5...(13) HB VAL 18 - QE PHE 88 OK 20 52 - 39 - ~4696=13, 2.1/4697=7...(7) QB ALA 79 - QE PHE 88 OK 18 68 - 27 - 6464/2.2=4, ~6467=3...(12) HB ILE 40 - QE PHE 88 OK 16 46 - 35 - ~4748=4, ~4747=4...(13) HB VAL 18 - QE PHE 83 OK 16 56 - 29 - 2.1/4693=7, 2.1/4697=6...(7) HG12 ILE 27 - QE PHE 70 OK 12 100 - 12 - 4775/2.2=2, 5406/2.2=1 HG12 ILE 27 - QE PHE 83 OK 11 78 - 14 - 4735/2.2=3, ~4863=2, 5407=1 HB2 MET 50 - QE PHE 70 OK 11 98 - 12 - 4775/2.2=2 HB2 MET 50 - QE PHE 83 OK 10 75 - 14 - 4735/2.2=3, ~4734=2, ~6673=2 HB2 MET 50 - QE PHE 88 lone 5 70 - 7 - 5677/4743=2 HD2 LYS 94 - QE PHE 83 lone 4 60 - 7 - 6607/2.2=1, ~4736=1 HD3 LYS 94 - QE PHE 83 lone 4 60 - 7 - 6607/2.2=1, ~4736=1 HB3 LYS 61 - QE PHE 83 lone 4 78 - 5 - HG12 ILE 27 - QE PHE 88 lone 4 73 - 5 - HD3 LYS 35 - QE PHE 70 lone 4 65 - 6 - HB3 LYS 61 - QE PHE 70 lone 4 100 - 4 - HD3 LYS 63 - QE PHE 70 lone 4 75 - 5 - ~6229=1 HD2 LYS 94 - QE PHE 70 lone 3 84 - 4 - HD3 LYS 94 - QE PHE 70 lone 3 84 - 4 - HG3 GLN 19 - QE PHE 83 lone 3 72 - 5 - HG3 GLN 19 - QE PHE 70 lone 3 96 - 3 - HD2 LYS 61 - QE PHE 70 lone 3 75 - 4 - HD3 LYS 61 - QE PHE 70 lone 3 75 - 4 - HD2 LYS 61 - QE PHE 83 lone 3 52 - 6 - HD3 LYS 61 - QE PHE 83 lone 3 52 - 6 - HD2 LYS 44 - QE PHE 70 lone 3 75 - 4 - HD3 LYS 44 - QE PHE 70 lone 3 72 - 4 - HD2 LYS 44 - QE PHE 83 lone 3 52 - 5 - HD3 LYS 35 - QE PHE 83 lone 2 44 - 6 - HD3 LYS 44 - QE PHE 83 lone 2 50 - 5 - HD3 LYS 63 - QE PHE 83 lone 2 52 - 5 - HG3 ARG 57 - QE PHE 70 lone 2 77 - 3 - HG2 ARG 57 - QE PHE 70 lone 2 72 - 3 - HG3 ARG 57 - QE PHE 83 lone 2 54 - 3 - HG3 GLN 19 - QE PHE 88 lone 2 67 - 2 - HG2 ARG 57 - QE PHE 83 lone 2 50 - 3 - HB3 LYS 61 - QE PHE 88 lone 1 73 - 2 - HD3 LYS 35 - QE PHE 88 lone 1 41 - 3 - HD3 LYS 94 - QE PHE 88 lone 1 55 - 2 - HD2 LYS 94 - QE PHE 88 lone 1 55 - 2 - HD2 LYS 61 - QE PHE 88 lone 1 48 - 2 - HD3 LYS 61 - QE PHE 88 lone 1 48 - 2 - HD2 LYS 44 - QE PHE 88 lone 1 48 - 2 - HD3 LYS 63 - QE PHE 88 lone 1 48 - 2 - HD3 LYS 44 - QE PHE 88 lone 1 46 - 2 - HG3 ARG 57 - QE PHE 88 lone 1 50 - 2 - HG2 ARG 57 - QE PHE 88 lone 1 46 - 2 - Peak 6231 from cnoeabs.peaks (1.29, 6.97, 130.95 ppm; 5.61 A): 2 out of 15 assignments used, quality = 0.98: HG12 ILE 16 + QE PHE 70 OK 96 100 - 97 - ~4779=42, ~4634=35...(20) HG12 ILE 16 + QE PHE 83 OK 59 78 - 76 - ~4636=15, 2.1/4838=15...(17) HG12 ILE 16 - QE PHE 88 OK 33 73 - 45 - 4628/2.2=9, ~4631=7...(14) QG2 THR 26 - QE PHE 70 OK 10 67 - 15 - 4.0/4925=9, 4921/4876=2 HG13 ILE 39 - QE PHE 70 lone 9 99 - 9 - 5342/5328=4, 5348/5326=2 HG3 LYS 35 - QE PHE 70 poor 7 70 - 10 - 4.9/5253=5 QB ALA 98 - QE PHE 70 lone 7 70 - 10 - 6985/4613=2, ~6994=1 QG2 THR 26 - QE PHE 83 poor 6 46 - 14 - 4.0/4925=7, 4921/4876=1 HG3 LYS 35 - QE PHE 83 poor 5 48 - 11 - 4.9/5253=6 QB ALA 98 - QE PHE 83 lone 4 48 - 8 - ~4733=2, 6985/4613=1 QG2 THR 26 - QE PHE 88 lone 4 42 - 9 - 4921/4876=3, 4922/6734=1 HG13 ILE 39 - QE PHE 83 lone 4 76 - 5 - HG13 ILE 39 - QE PHE 88 lone 3 71 - 5 - 5342/5328=2 HG3 LYS 35 - QE PHE 88 lone 3 44 - 7 - 4.9/5253=4 QB ALA 98 - QE PHE 88 lone 2 44 - 4 - Peak 6232 from cnoeabs.peaks (1.19, 6.97, 130.95 ppm; 5.23 A): 3 out of 12 assignments used, quality = 0.96: HG13 ILE 37 + QE PHE 70 OK 70 96 - 73 - ~5308=22, ~5301=13...(20) HG13 ILE 37 + QE PHE 83 OK 69 72 - 96 - 7200/2.2=24, 5312/2.2=21...(29) HG13 ILE 16 + QE PHE 70 OK 56 59 - 94 - ~4779=38, ~4634=32...(20) HG13 ILE 37 - QE PHE 88 OK 40 67 - 59 - 5306/2.2=10, 7200=9...(18) HB3 LYS 41 - QE PHE 70 OK 33 99 - 33 - 5477/5.6=16, 3.0/4816=4...(7) HG13 ILE 16 - QE PHE 83 OK 28 40 - 70 - 2.1/4720=15, ~4636=14...(17) HG13 ILE 16 - QE PHE 88 OK 14 37 - 39 - 2.1/4720=6, ~4628=6...(14) HB3 LYS 41 - QE PHE 83 OK 12 76 - 16 - ~4737=2, ~4736=2...(5) HG13 ILE 27 - QE PHE 70 poor 8 59 - 13 - ~4775=2, ~7043=2...(6) HB3 LYS 41 - QE PHE 88 lone 7 71 - 10 - 3.0/4816=2, 7084/4743=2 HG13 ILE 27 - QE PHE 83 poor 6 40 - 15 - ~4735=3, 4863/2.2=2...(5) HG13 ILE 27 - QE PHE 88 lone 2 37 - 4 - Peak 6236 from cnoeabs.peaks (1.10, 2.78, 41.65 ppm; 4.91 A): 1 out of 8 assignments used, quality = 0.96: QG2 VAL 95 + HB3 ASP 84 OK 96 99 - 97 - 6635/3.0=32, 6885/1.8=26...(19) QG2 VAL 95 - HB3 PHE 70 OK 43 100 - 42 - 2.1/6880=9, 6886=8...(10) HG LEU 21 - HB3 ASP 84 OK 29 99 - 30 - 6649/4.5=8, 6635/3.0=7...(6) QG2 THR 99 - HB3 ASP 84 OK 15 82 - 18 - 6637/1.8=5, 6635/3.0=4...(6) HG LEU 21 - HB3 PHE 70 lone 7 100 - 7 - 4818/5446=2 QG2 THR 46 - HB3 ASP 84 lone 3 55 - 6 - 6649/4.5=2 QG2 THR 99 - HB3 PHE 70 lone 3 85 - 3 - 7029/6880=1 QG2 THR 46 - HB3 PHE 70 lone 1 57 - 2 - Peak 6237 from cnoeabs.peaks (0.99, 2.78, 41.65 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.95: QG1 VAL 95 + HB3 ASP 84 OK 92 94 - 97 - 6638/1.8=27, 6636/3.0=26...(18) QG1 VAL 95 + HB3 PHE 70 OK 40 97 - 42 - 2.1/6880=10, 2.1/6236=9...(10) QD1 LEU 62 - HB3 ASP 84 OK 22 97 - 22 - 6638/1.8=5, 6636/3.0=4...(6) HG12 ILE 51 - HB3 PHE 70 OK 21 68 - 30 - 2.1/5739=10, ~2522=6...(6) QD1 LEU 62 - HB3 PHE 70 OK 14 99 - 14 - ~5960=3, 5963/5.8=3...(6) HG12 ILE 51 - HB3 ASP 84 lone 6 65 - 9 - 2.1/5739=4, ~3613=2, ~6639=1 Peak 6238 from cnoeabs.peaks (0.85, 2.78, 41.65 ppm; 4.07 A): 6 out of 20 assignments used, quality = 0.93: QG2 ILE 80 + HB3 ASP 84 OK 55 99 - 56 - 6639/1.8=17, 6518=16...(10) QG2 ILE 16 + HB3 PHE 70 OK 51 89 - 57 - 4625/2.5=19, ~4634=14...(10) QG2 ILE 37 + HB3 PHE 70 OK 28 100 - 28 - 5301/5.8=7, 4625/2.5=6...(10) QG2 ILE 80 + HB3 PHE 70 OK 26 100 - 26 - 6518=8, 3.2/6514=4...(9) QG2 VAL 30 + HB3 PHE 70 OK 25 100 - 25 - 4.2/5085=4, 5064/4.4=3...(10) QG1 VAL 30 + HB3 PHE 70 OK 24 99 - 24 - 4.2/5085=4, 5110/6149=3...(10) QD1 ILE 51 - HB3 PHE 70 OK 17 71 - 24 - 2522/3.0=4, 5739=4...(8) QD2 LEU 62 - HB3 ASP 84 OK 16 96 - 16 - 6639/1.8=4, 2.1/6237=3...(6) QD2 LEU 62 - HB3 PHE 70 OK 13 98 - 13 - 5960/3.0=3, 2.1/6237=2...(5) QG2 VAL 30 - HB3 ASP 84 OK 13 99 - 13 - 6639/1.8=3, ~6639=2...(5) QG1 VAL 30 - HB3 ASP 84 OK 13 98 - 13 - 6639/1.8=3, ~6639=2...(5) QG2 ILE 16 - HB3 ASP 84 OK 12 86 - 14 - 6639/1.8=4, ~6626=3...(4) QG1 VAL 18 - HB3 PHE 70 poor 9 76 - 12 - 4697/4.4=3, ~4716=1...(4) QG2 ILE 37 - HB3 ASP 84 lone 8 99 - 8 - 6639/1.8=2, 6634/4.0=2 QD1 ILE 51 - HB3 ASP 84 lone 6 68 - 9 - 5710/4.0=2, 5739=1, 6639/1.8=1 QG1 VAL 18 - HB3 ASP 84 lone 6 73 - 8 - 4715/6236=2, 6639/1.8=2 QG2 VAL 25 - HB3 PHE 70 lone 5 60 - 9 - 4717/2.5=2, 4777/5.8=1 QG2 THR 42 - HB3 ASP 84 lone 2 60 - 3 - QG2 VAL 25 - HB3 ASP 84 lone 2 57 - 3 - QG2 THR 42 - HB3 PHE 70 lone 2 63 - 3 - Peak 6239 from cnoeabs.peaks (0.84, 6.97, 130.95 ppm; 3.78 A): 4 out of 24 assignments used, quality = 0.98: QG2 ILE 16 + QE PHE 70 OK 79 98 - 81 - 4625/2.2=21, 3.1/4720=16...(20) QG2 ILE 40 + QE PHE 70 OK 60 77 - 77 - ~5383=10, ~5403=10...(22) QG2 ILE 37 + QE PHE 83 OK 58 72 - 81 - 5300=12, 5303/2.2=11...(27) QG2 ILE 37 + QE PHE 70 OK 56 96 - 59 - 5301/2.2=14, ~5308=9...(17) QG2 VAL 30 - QE PHE 88 OK 44 69 - 65 - 5064=13, 3.2/4743=10...(20) QG1 VAL 30 - QE PHE 88 OK 44 73 - 61 - 3.2/4743=10, 2.1/5064=9...(19) QG2 ILE 16 - QE PHE 83 OK 43 75 - 58 - 4627/2.2=10, 3.1/4720=9...(18) QG1 VAL 30 - QE PHE 70 OK 40 100 - 40 - 5069=5, 2.1/5064=5...(14) QG2 VAL 30 - QE PHE 70 OK 39 97 - 41 - 5064=7, 3.2/5059=4...(14) QG2 ILE 80 - QE PHE 83 OK 36 76 - 48 - 3366/2.2=12, ~3359=7...(12) QG1 VAL 30 - QE PHE 83 OK 33 78 - 43 - 5069=6, 5071/2.2=5...(15) QG2 VAL 30 - QE PHE 83 OK 31 74 - 42 - 5064=5, 5064/2.2=5...(13) QG2 VAL 25 - QE PHE 70 OK 29 82 - 36 - 2.1/4878=5, 1549/2.2=5...(10) QG2 VAL 25 - QE PHE 88 OK 29 54 - 54 - ~4890=9, 2.1/4878=8...(15) QG2 ILE 37 - QE PHE 88 OK 25 67 - 38 - 4852/2.2=7, 2.1/7202=4...(14) QG2 VAL 25 - QE PHE 83 OK 24 58 - 41 - ~4806=6, 2.1/4878=5...(13) QG2 ILE 80 - QE PHE 70 OK 23 99 - 24 - 6518/4.4=3, 4777/2.2=3...(10) QG2 ILE 80 - QE PHE 88 OK 21 71 - 30 - ~4749=5, ~6723=5...(8) QG2 ILE 16 - QE PHE 88 OK 21 70 - 30 - 4852/2.2=5, 3.1/4720=4...(12) QG2 ILE 40 - QE PHE 83 OK 21 54 - 39 - 3.3/5404=5, 3.2/5407=4...(15) QG2 ILE 40 - QE PHE 88 OK 14 50 - 29 - 4747/2.2=3, 4852/2.2=3...(14) QD2 LEU 62 - QE PHE 70 OK 14 100 - 14 - ~5963=2, 4777/2.2=1...(5) QD2 LEU 62 - QE PHE 83 lone 7 78 - 9 - 4738/2.2=1 QD2 LEU 62 - QE PHE 88 lone 5 73 - 7 - Peak 6240 from cnoeabs.peaks (0.26, 6.97, 130.95 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.97: QD1 ILE 16 + QE PHE 70 OK 94 100 - 94 - 4779/2.2=44, 4634/2.2=36...(25) QD1 ILE 16 + QE PHE 83 OK 57 78 - 73 - 4636/2.2=15, 4633=11...(24) QD1 LEU 21 - QE PHE 88 OK 39 48 - 82 - ~4778=19, ~4749=19...(17) QD1 ILE 16 - QE PHE 88 OK 30 73 - 42 - 4633/2.2=6, ~4631=5...(18) QD1 LEU 21 - QE PHE 70 OK 23 75 - 31 - 7045/2.2=7, 2.1/4776=5...(8) QD1 LEU 21 - QE PHE 83 OK 16 52 - 31 - 4785=4, 2.1/4776=4...(9) Peak 6242 from cnoeabs.peaks (8.68, 4.41, 57.16 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.96: H LYS 41 + HA ASP 71 OK 94 100 - 94 - 4.0/6263=29, 6241/3.0=26...(21) H ILE 40 + HA ASP 71 OK 35 60 - 59 - ~6253=14, 3.8/5369=14...(10) H ALA 31 - HA ASP 71 OK 24 78 - 31 - 6241/3.0=5, 6243/3.0=5...(11) Peak 6243 from cnoeabs.peaks (8.68, 2.59, 41.97 ppm; 5.26 A): 2 out of 2 assignments used, quality = 0.92: H LYS 41 + HB2 ASP 71 OK 90 100 - 90 - 6241/3.9=25, 6244/1.8=25...(16) H ALA 31 + HB2 ASP 71 OK 19 65 - 29 - 6244/1.8=7, 6242/3.0=6...(7) Peak 6244 from cnoeabs.peaks (8.68, 2.38, 41.97 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.96: H LYS 41 + HB3 ASP 71 OK 93 100 - 94 - 6243/1.8=30, 6241/3.9=23...(21) H ILE 40 + HB3 ASP 71 OK 45 60 - 76 - 3.8/6273=29, 4.4/6269=22...(13) H ALA 31 - HB3 ASP 71 OK 25 78 - 32 - 6243/1.8=6, 6242/3.0=5...(9) Peak 6245 from cnoeabs.peaks (8.12, 2.38, 41.97 ppm; 5.21 A): 2 out of 5 assignments used, quality = 0.94: H ILE 39 + HB3 ASP 71 OK 92 100 - 92 - 4.0/6273=29, 5351=29...(14) H ALA 79 + HB3 ASP 71 OK 27 100 - 27 - 6246/1.8=7, 6457/4.5=4...(10) H GLU 23 - HB3 ASP 71 OK 18 100 - 18 - 6246/1.8=5, 1976/6273=3...(7) H VAL 68 - HB3 ASP 71 poor 7 57 - 12 - 6301/4.5=4, 310/3.9=2 H ASN 13 - HB3 ASP 71 lone 6 76 - 8 - 6301/4.5=3, 6246/1.8=1 Peak 6246 from cnoeabs.peaks (8.12, 2.59, 41.97 ppm; 5.05 A): 3 out of 4 assignments used, quality = 0.91: H ILE 39 + HB2 ASP 71 OK 87 100 - 87 - 5362=30, 3.9/6265=26...(12) H ALA 79 + HB2 ASP 71 OK 21 100 - 21 - 6245/1.8=7, 6457/4.5=4...(7) H GLU 23 + HB2 ASP 71 OK 14 99 - 15 - 6245/1.8=5, 1976/5367=3...(5) H ASN 13 - HB2 ASP 71 lone 4 63 - 7 - 6301/4.5=2, 6245/1.8=2 Peak 6247 from cnoeabs.peaks (4.83, 2.59, 41.97 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.80: HA PHE 70 + HB2 ASP 71 OK 74 95 - 78 - 3.6/925=35, 6280/4.5=22...(8) HA ILE 51 + HB2 ASP 71 OK 24 63 - 38 - 6248/1.8=10, ~226=6...(10) Peak 6248 from cnoeabs.peaks (4.81, 2.38, 41.97 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.80: HA PHE 70 + HB3 ASP 71 OK 69 99 - 70 - 324/3.9=29, 6247/1.8=19...(8) HA ILE 51 + HB3 ASP 71 OK 36 98 - 37 - 3.0/226=8, 6247/1.8=6...(11) HA THR 55 - HB3 ASP 71 lone 2 93 - 2 - Peak 6249 from cnoeabs.peaks (4.07, 2.38, 41.97 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.96: HA ILE 39 + HB3 ASP 71 OK 83 95 - 88 - 3.2/6273=25, 3.0/6269=21...(18) HA LYS 41 + HB3 ASP 71 OK 77 90 - 85 - 7081=18, 3.0/6272=16...(22) HA3 GLY 38 - HB3 ASP 71 OK 29 99 - 30 - 3.6/5351=11, 5349/6273=4...(9) HB THR 67 - HB3 ASP 71 lone 6 68 - 9 - ~6090=3, 6087/1.8=2 HB3 SER 29 - HB3 ASP 71 lone 4 100 - 4 - Peak 6250 from cnoeabs.peaks (4.06, 2.59, 41.97 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.96: HA LYS 41 + HB2 ASP 71 OK 90 100 - 90 - 3.0/6243=21, 7081/1.8=19...(22) HA ILE 39 + HB2 ASP 71 OK 60 65 - 92 - 3.0/6265=26, 3.2/5367=24...(16) HA3 GLY 38 - HB2 ASP 71 OK 28 83 - 33 - 3.6/6246=17, 6249/1.8=5...(7) HB3 SER 29 - HB2 ASP 71 lone 4 89 - 4 - Peak 6251 from cnoeabs.peaks (4.06, 4.41, 57.16 ppm; 4.70 A): 2 out of 4 assignments used, quality = 0.99: HA LYS 41 + HA ASP 71 OK 97 100 - 97 - 3.0/6263=36, 4.0/6262=21...(28) HA ILE 39 + HA ASP 71 OK 60 65 - 92 - 3.2/5369=15, ~6273=14...(23) HA3 GLY 38 - HA ASP 71 OK 17 83 - 21 - 6252/3.0=6, 6250/3.0=5...(4) HB3 SER 29 - HA ASP 71 lone 4 89 - 5 - 6252/3.0=1 Peak 6259 from cnoeabs.peaks (3.08, 4.41, 57.16 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.82: HE3 LYS 41 + HA ASP 71 OK 70 96 - 73 - 5487=17, 4.8/6263=15...(18) HE2 LYS 41 + HA ASP 71 OK 40 57 - 70 - 1.8/5487=15, 4.8/6263=15...(18) HB3 TRP 82 - HA ASP 71 lone 4 92 - 4 - 3426/3.6=1 HE2 LYS 77 - HA ASP 71 lone 4 99 - 4 - 4.9/4456=1 HE3 LYS 77 - HA ASP 71 lone 4 97 - 4 - 4.9/4456=1 HB2 ASP 56 - HA ASP 71 lone 2 97 - 2 - HB2 TYR 33 - HA ASP 71 lone 2 93 - 2 - Peak 6260 from cnoeabs.peaks (1.62, 4.41, 57.16 ppm; 3.80 A): 2 out of 8 assignments used, quality = 0.98: HD2 LYS 41 + HA ASP 71 OK 85 100 - 85 - 3.8/6263=22, 3.0/6262=18...(30) HD3 LYS 41 + HA ASP 71 OK 85 100 - 85 - 3.8/6263=22, 3.0/6262=18...(30) HG12 ILE 40 - HA ASP 71 OK 24 85 - 28 - 3.2/5421=5, ~5396=4...(11) HB2 MET 50 - HA ASP 71 OK 17 60 - 29 - 2.9/2473=6, 2.9/2466=4...(11) QB ALA 76 - HA ASP 71 OK 13 81 - 17 - 6377=4, 6401/3.0=3...(6) HB VAL 18 - HA ASP 71 lone 5 90 - 5 - HD2 LYS 63 - HA ASP 71 lone 1 65 - 2 - HG3 GLN 19 - HA ASP 71 lone 1 68 - 1 - Peak 6261 from cnoeabs.peaks (1.49, 4.41, 57.16 ppm; 3.62 A): 2 out of 9 assignments used, quality = 0.93: HG3 LYS 41 + HA ASP 71 OK 76 89 - 86 - 3.0/6263=25, 1.8/6262=21...(30) HB2 LYS 41 + HA ASP 71 OK 69 78 - 88 - 1.8/6263=32, 3.0/6262=16...(32) QB ALA 31 - HA ASP 71 poor 10 63 - 15 - 2.9/6242=3, 6256/3.0=2...(7) HG2 LYS 45 - HA ASP 71 poor 9 73 - 12 - 1.8/6262=3, 5481=1 HG2 LYS 94 - HA ASP 71 lone 8 92 - 9 - 7120/3.0=1, 7119/3.0=1 HG2 LYS 86 - HA ASP 71 lone 6 100 - 6 - HG LEU 53 - HA ASP 71 lone 5 99 - 5 - 3.0/6262=1 HG2 LYS 44 - HA ASP 71 lone 3 85 - 3 - HG13 ILE 93 - HA ASP 71 lone 2 57 - 4 - Peak 6262 from cnoeabs.peaks (1.39, 4.41, 57.16 ppm; 3.90 A): 3 out of 7 assignments used, quality = 0.91: HG2 LYS 41 + HA ASP 71 OK 89 100 - 89 - 3.0/6263=28, 1.8/6261=16...(29) HG3 LYS 45 + HA ASP 71 OK 13 98 - 13 - 1.8/6261=2, 5479=2, 770/6242=1 QB ALA 78 + HA ASP 71 OK 10 100 - 10 - 6433/3.6=2, 2.9/1183=2 HG2 LYS 61 - HA ASP 71 poor 8 65 - 12 - ~7121=1, 5479=1, ~6269=1...(5) HG3 LYS 61 - HA ASP 71 poor 7 63 - 12 - ~7121=1, ~6269=1, 5479=1...(5) HB3 LEU 53 - HA ASP 71 lone 6 100 - 5 - HD3 LYS 86 - HA ASP 71 lone 4 63 - 6 - Peak 6263 from cnoeabs.peaks (1.20, 4.41, 57.16 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.84: HB3 LYS 41 + HA ASP 71 OK 84 100 - 84 - 3.0/6262=15, 6257/3.0=14...(29) HG13 ILE 37 - HA ASP 71 lone 7 83 - 8 - 6257/3.0=2, 6272/3.0=2 HG13 ILE 16 - HA ASP 71 lone 6 83 - 8 - 6257/3.0=4 QG2 THR 59 - HA ASP 71 lone 2 71 - 3 - Peak 6264 from cnoeabs.peaks (0.90, 4.41, 57.16 ppm; 4.91 A): 2 out of 5 assignments used, quality = 0.99: QD1 ILE 39 + HA ASP 71 OK 90 96 - 95 - 5373/3.0=21, 5359/3.0=18...(22) QG2 ILE 39 + HA ASP 71 OK 89 92 - 96 - 5356/3.0=26, 5367/3.0=25...(26) QD1 ILE 51 - HA ASP 71 OK 20 60 - 33 - 3.2/5713=9, 6258/3.0=5...(9) QG2 THR 42 - HA ASP 71 OK 12 68 - 18 - 6273/3.0=4, 5459/6251=4...(7) QG2 ILE 27 - HA ASP 71 poor 8 65 - 12 - ~4985=2, 4933/222=1...(4) Peak 6265 from cnoeabs.peaks (1.82, 2.59, 41.97 ppm; 3.74 A): 3 out of 9 assignments used, quality = 0.91: HB ILE 39 + HB2 ASP 71 OK 88 100 - 88 - 5368=24, 6269/1.8=24...(19) HB2 LYS 94 + HB2 ASP 71 OK 12 100 - 12 - 6269/1.8=3, 2.9/7119=1...(5) HB2 LYS 61 + HB2 ASP 71 OK 10 95 - 11 - 6269/1.8=3, 6254/3.9=1, ~7121=1 HB2 PRO 74 - HB2 ASP 71 lone 6 96 - 6 - 6269/1.8=2, ~6274=2 HB2 GLN 48 - HB2 ASP 71 lone 4 85 - 4 - 6269/1.8=1 HB ILE 93 - HB2 ASP 71 lone 3 89 - 4 - HB3 GLU 65 - HB2 ASP 71 lone 2 100 - 2 - HG LEU 62 - HB2 ASP 71 lone 1 93 - 1 - HG2 GLU 87 - HB2 ASP 71 lone 1 71 - 1 - Peak 6266 from cnoeabs.peaks (1.69, 2.59, 41.97 ppm; 4.69 A): 2 out of 18 assignments used, quality = 0.95: HG12 ILE 39 + HB2 ASP 71 OK 92 99 - 93 - 2.9/6265=28, 3.2/5367=25...(14) HB ILE 40 + HB2 ASP 71 OK 37 100 - 37 - 4.5/6243=18, ~5421=6...(8) HD3 LYS 94 - HB2 ASP 71 OK 17 98 - 17 - 3.4/6265=3, 2.9/7119=2...(7) HD2 LYS 94 - HB2 ASP 71 OK 17 98 - 17 - 3.4/6265=3, 2.9/7119=2...(7) QB ALA 79 - HB2 ASP 71 OK 15 87 - 17 - 2.9/6246=5, ~6245=4...(4) HD3 LYS 45 - HB2 ASP 71 OK 14 92 - 15 - ~6262=2, 2.9/7119=2...(7) HD2 LYS 45 - HB2 ASP 71 OK 13 89 - 15 - ~6262=2, 2.9/7119=2...(8) HD2 LYS 61 - HB2 ASP 71 OK 13 100 - 13 - 3.9/6265=3, ~7121=2...(5) HD3 LYS 61 - HB2 ASP 71 OK 13 100 - 13 - 3.9/6265=3, ~7121=2...(5) HB3 LYS 61 - HB2 ASP 71 poor 9 63 - 14 - 1.8/6265=4, ~6269=3...(5) HG12 ILE 27 - HB2 ASP 71 lone 6 63 - 9 - ~4985=3, ~6272=2, 6270/1.8=1 HD3 LYS 44 - HB2 ASP 71 lone 6 100 - 6 - HD2 LYS 44 - HB2 ASP 71 lone 6 100 - 6 - HD3 LYS 63 - HB2 ASP 71 lone 3 100 - 3 - HD3 LYS 35 - HB2 ASP 71 lone 3 100 - 3 - HD2 LYS 77 - HB2 ASP 71 lone 3 90 - 3 - HG2 ARG 57 - HB2 ASP 71 lone 2 100 - 2 - HG3 ARG 57 - HB2 ASP 71 lone 2 99 - 2 - Peak 6267 from cnoeabs.peaks (1.62, 2.59, 41.97 ppm; 5.25 A): 2 out of 6 assignments used, quality = 0.99: HD2 LYS 41 + HB2 ASP 71 OK 90 97 - 92 - 5.8/6243=17, 6260/3.0=16...(24) HD3 LYS 41 + HB2 ASP 71 OK 90 97 - 92 - 5.8/6243=17, 6260/3.0=16...(24) HG12 ILE 40 - HB2 ASP 71 OK 27 73 - 37 - ~5421=6, 6271/1.8=6...(10) QB ALA 76 - HB2 ASP 71 OK 19 90 - 22 - 6401/3.9=6, 6377/3.0=4...(7) HB VAL 18 - HB2 ASP 71 lone 8 81 - 9 - ~6273=2, 6271/1.8=1, 4700/6277=1 HD2 LYS 63 - HB2 ASP 71 lone 3 78 - 4 - Peak 6268 from cnoeabs.peaks (0.90, 2.59, 41.97 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.95: QG2 ILE 39 + HB2 ASP 71 OK 77 92 - 84 - 5367=23, 5356/1.8=21...(19) QD1 ILE 39 + HB2 ASP 71 OK 76 96 - 79 - 3.2/6265=16, 3.0/5367=15...(19) QD1 ILE 51 + HB2 ASP 71 OK 11 60 - 18 - 6273/1.8=4, 4.2/6247=3...(7) QG2 THR 42 - HB2 ASP 71 poor 8 68 - 12 - 4.0/4295=3, 6273/1.8=3...(4) QG2 ILE 27 - HB2 ASP 71 lone 3 65 - 5 - ~4985=1 Peak 6269 from cnoeabs.peaks (1.83, 2.38, 41.97 ppm; 3.66 A): 3 out of 10 assignments used, quality = 0.89: HB ILE 39 + HB3 ASP 71 OK 86 99 - 87 - 2.1/6273=27, 6265/1.8=24...(19) HB2 LYS 94 + HB3 ASP 71 OK 12 99 - 12 - 6265/1.8=3, 2.9/7120=1...(4) HB2 LYS 61 + HB3 ASP 71 OK 11 99 - 11 - 6265/1.8=3, 3.0/7121=1...(5) HB2 PRO 74 - HB3 ASP 71 lone 6 99 - 6 - 3.0/6274=2, 6265/1.8=2 HB2 GLN 48 - HB3 ASP 71 lone 4 73 - 6 - 6265/1.8=1 HB ILE 37 - HB3 ASP 71 lone 4 71 - 5 - 3.0/6272=2 HB ILE 93 - HB3 ASP 71 lone 3 78 - 4 - HB ILE 16 - HB3 ASP 71 lone 3 63 - 5 - 6254/3.9=2, 3.0/6272=1 HB3 GLU 65 - HB3 ASP 71 lone 2 99 - 2 - HG LEU 62 - HB3 ASP 71 lone 1 85 - 1 - Peak 6270 from cnoeabs.peaks (1.68, 2.38, 41.97 ppm; 4.73 A): 3 out of 20 assignments used, quality = 0.93: HG12 ILE 39 + HB3 ASP 71 OK 85 90 - 94 - 3.2/6273=30, 2.9/6269=27...(15) HB ILE 40 + HB3 ASP 71 OK 40 99 - 40 - 4.5/6244=13, 3.9/6244=7...(10) HB2 MET 50 + HB3 ASP 71 OK 21 68 - 31 - 4.6/226=6, 3.0/2449=5...(9) QB ALA 79 - HB3 ASP 71 OK 20 99 - 20 - 2.9/6245=5, ~6246=4...(5) HD3 LYS 94 - HB3 ASP 71 OK 18 100 - 18 - 3.4/6269=3, 2.9/7120=2...(7) HD2 LYS 94 - HB3 ASP 71 OK 18 100 - 18 - 3.4/6269=3, 2.9/7120=2...(7) HD2 LYS 61 - HB3 ASP 71 OK 15 100 - 15 - 3.9/6269=3, 3.0/7121=3...(6) HD3 LYS 61 - HB3 ASP 71 OK 15 100 - 15 - 3.9/6269=3, 3.0/7121=3...(6) HB3 LYS 61 - HB3 ASP 71 OK 14 87 - 16 - 1.8/6269=4, ~6265=3...(6) HG12 ILE 27 - HB3 ASP 71 OK 11 87 - 13 - 2.1/4985=4, 1.8/6272=2 HD3 LYS 45 - HB3 ASP 71 OK 11 71 - 15 - 2.9/7121=2, 6266/1.8=2...(6) HD2 LYS 45 - HB3 ASP 71 poor 10 65 - 15 - 2.9/7121=2, ~6262=2...(6) HD2 LYS 44 - HB3 ASP 71 lone 6 100 - 6 - HD3 LYS 44 - HB3 ASP 71 lone 6 99 - 6 - HD3 LYS 63 - HB3 ASP 71 lone 4 100 - 4 - HD3 LYS 35 - HB3 ASP 71 lone 3 98 - 3 - HG3 ARG 57 - HB3 ASP 71 lone 2 100 - 2 - HG2 ARG 57 - HB3 ASP 71 lone 2 99 - 2 - HD2 LYS 77 - HB3 ASP 71 lone 2 68 - 3 - HG3 GLN 19 - HB3 ASP 71 lone 1 60 - 2 - Peak 6271 from cnoeabs.peaks (1.63, 2.38, 41.97 ppm; 5.17 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 41 + HB3 ASP 71 OK 93 100 - 93 - 3.8/6272=24, 6260/3.0=16...(25) HD3 LYS 41 + HB3 ASP 71 OK 93 100 - 93 - 3.8/6272=24, 6260/3.0=16...(25) HG12 ILE 40 - HB3 ASP 71 OK 40 92 - 44 - 4.6/6244=8, 6255/3.9=6...(12) HB2 MET 50 - HB3 ASP 71 OK 28 71 - 40 - 4.6/226=7, 3.0/2449=5...(12) QB ALA 76 - HB3 ASP 71 OK 14 71 - 20 - 6401/3.9=4, 6377/3.0=3...(6) HB VAL 18 - HB3 ASP 71 lone 9 96 - 9 - 2.1/6273=2, 6267/1.8=1 HG3 GLN 19 - HB3 ASP 71 lone 2 78 - 2 - Peak 6272 from cnoeabs.peaks (1.19, 2.38, 41.97 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.95: HB3 LYS 41 + HB3 ASP 71 OK 95 99 - 96 - 6263/3.0=37, 6257/3.9=24...(25) HG13 ILE 37 - HB3 ASP 71 OK 14 97 - 15 - 6263/3.0=3, 6257/3.9=3...(5) HG13 ILE 16 - HB3 ASP 71 poor 8 60 - 13 - 6257/3.9=6, 6263/3.0=3 HG13 ILE 27 - HB3 ASP 71 poor 7 60 - 12 - 2.1/4985=5, 4937/226=2 Peak 6273 from cnoeabs.peaks (0.88, 2.38, 41.97 ppm; 3.22 A): 3 out of 4 assignments used, quality = 0.87: QG2 ILE 39 + HB3 ASP 71 OK 82 100 - 82 - 5356=27, 5367/1.8=18...(20) QD1 ILE 51 + HB3 ASP 71 OK 18 97 - 18 - 4.2/6248=4, 4.9/226=2...(7) QG2 THR 42 + HB3 ASP 71 OK 14 99 - 14 - 4.0/4296=4, 5459/7081=2...(5) QG1 VAL 18 - HB3 ASP 71 lone 4 96 - 4 - Peak 6274 from cnoeabs.peaks (3.45, 2.38, 41.97 ppm; 5.12 A): 3 out of 4 assignments used, quality = 0.82: HB2 PHE 70 + HB3 ASP 71 OK 76 93 - 82 - 4.3/926=30, 6223=27...(6) HD3 PRO 74 + HB3 ASP 71 OK 15 78 - 19 - 6278/4.5=12, 3.0/6269=2...(5) HB2 SER 89 + HB3 ASP 71 OK 11 100 - 11 - 6276/1.8=4, 6278/4.5=3 HB2 PHE 83 - HB3 ASP 71 poor 9 81 - 10 - 6276/1.8=4, 325/3.9=2...(4) Peak 6276 from cnoeabs.peaks (3.44, 2.59, 41.97 ppm; 5.27 A): 3 out of 5 assignments used, quality = 0.82: HB2 PHE 70 + HB2 ASP 71 OK 78 100 - 78 - 4.3/925=36, 3.0/6247=29...(5) HB2 SER 89 + HB2 ASP 71 OK 12 99 - 11 - 6274/1.8=4, 325/3.9=3 HB2 PHE 83 + HB2 ASP 71 OK 10 96 - 11 - 6274/1.8=3, 325/3.9=2...(4) HA ILE 80 - HB2 ASP 71 lone 4 71 - 6 - 325/3.9=2, 4487/4.5=2 HB2 PHE 34 - HB2 ASP 71 lone 3 68 - 5 - 325/3.9=2 Peak 6277 from cnoeabs.peaks (5.41, 2.59, 41.97 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.50: HA ASP 72 + HB2 ASP 71 OK 50 78 - 64 - 3.0/333=40, ~4296=15...(5) HA PHE 17 - HB2 ASP 71 lone 7 100 - 7 - 6081/6090=2, 6077/6087=2 Peak 6282 from cnoeabs.peaks (4.28, 5.39, 50.28 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.90: HD2 PRO 73 + HA ASP 72 OK 89 100 - 89 - 3.8=64, 1.8/6329=25...(15) HA3 GLY 85 + HA ASP 72 OK 13 89 - 14 - 1.8/6283=4, 6292/3.0=2...(6) HA GLU 58 - HA ASP 72 lone 7 92 - 8 - 6292/3.0=2, 6291/3.0=2...(4) HA ALA 79 - HA ASP 72 lone 6 96 - 6 - 4481/3.0=2, 6292/3.0=1 HA LYS 63 - HA ASP 72 lone 6 98 - 5 - 6291/3.0=2, 6292/3.0=1 HA ASP 32 - HA ASP 72 lone 1 76 - 2 - Peak 6283 from cnoeabs.peaks (3.90, 5.39, 50.28 ppm; 3.50 A): 3 out of 5 assignments used, quality = 0.86: HD3 PRO 73 + HA ASP 72 OK 81 85 - 95 - 3.8=80, 1.8/6328=30...(14) HB3 SER 75 + HA ASP 72 OK 16 92 - 18 - 6290/3.0=5, 6279/3.0=4...(6) HA2 GLY 85 + HA ASP 72 OK 14 87 - 16 - 1.8/6282=4, 6290/3.0=3...(6) HA ALA 31 - HA ASP 72 lone 3 98 - 3 - 6279/3.0=1 HA2 GLY 38 - HA ASP 72 lone 1 81 - 2 - 6279/3.0=1 Peak 6284 from cnoeabs.peaks (4.40, 5.39, 50.28 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 73 + HA ASP 72 OK 100 100 - 100 - 4.8=100 Peak 6285 from cnoeabs.peaks (3.47, 5.39, 50.28 ppm; 4.60 A): 1 out of 4 assignments used, quality = 0.96: HD3 PRO 74 + HA ASP 72 OK 96 100 - 96 - 6342=36, 1.8/6343=32...(19) HB2 ASN 14 - HA ASP 72 OK 32 87 - 37 - 4536/4.8=10, 6320/3.8=9...(7) HB3 PHE 83 - HA ASP 72 OK 21 97 - 21 - 6320/3.8=4, 6295/3.0=4...(7) HB2 SER 89 - HA ASP 72 lone 7 71 - 9 - 6278/3.0=2, 6288/3.0=2...(4) Peak 6286 from cnoeabs.peaks (2.35, 5.39, 50.28 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.98: HG2 PRO 73 + HA ASP 72 OK 96 100 - 96 - 2.3/6328=37, 2.3/6329=36...(19) HB3 PRO 74 + HA ASP 72 OK 63 71 - 89 - 3.0/6343=27, 3.0/6342=24...(17) HB3 ASP 71 - HA ASP 72 OK 45 76 - 59 - ~333=25, 1.8/6277=21...(5) HG2 GLN 48 - HA ASP 72 lone 7 97 - 7 - 5604/4.8=5 HG3 MET 50 - HA ASP 72 lone 4 71 - 6 - 334/3.0=2 HG2 GLU 23 - HA ASP 72 lone 1 87 - 1 - Peak 6287 from cnoeabs.peaks (1.95, 5.39, 50.28 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.95: HG3 PRO 73 + HA ASP 72 OK 95 100 - 95 - 2.3/6328=37, 2.3/6329=36...(20) HG3 PRO 49 - HA ASP 72 OK 11 99 - 11 - 2.3/6343=3, ~6289=2...(5) HB VAL 95 - HA ASP 72 lone 4 100 - 3 - HB2 LYS 45 - HA ASP 72 lone 3 100 - 3 - HB3 LYS 45 - HA ASP 72 lone 3 100 - 3 - HG2 GLN 19 - HA ASP 72 lone 2 63 - 2 - Peak 6288 from cnoeabs.peaks (3.46, 2.82, 42.63 ppm; 3.77 A): 3 out of 5 assignments used, quality = 0.89: HD3 PRO 74 + HB2 ASP 72 OK 86 99 - 87 - 6295/1.8=26, 6334=22...(15) HB2 ASN 14 + HB2 ASP 72 OK 11 63 - 18 - 6320/4.8=5, 6295/1.8=4...(5) HB3 PHE 83 + HB2 ASP 72 OK 11 83 - 12 - 6295/1.8=4, 6285/3.0=3...(5) HB2 PHE 70 - HB2 ASP 72 poor 8 63 - 13 - 6278/4.1=8, 6224/4.8=2 HB2 SER 89 - HB2 ASP 72 lone 6 92 - 6 - 6295/1.8=2, 6278/4.1=2 Peak 6289 from cnoeabs.peaks (3.69, 2.82, 42.63 ppm; 4.58 A): 1 out of 5 assignments used, quality = 0.95: HD2 PRO 74 + HB2 ASP 72 OK 95 100 - 95 - 1.8/6288=33, 6294/1.8=31...(14) HD3 PRO 49 - HB2 ASP 72 OK 12 89 - 13 - 6294/1.8=4, 6343/3.0=3...(5) HA LEU 21 - HB2 ASP 72 lone 8 100 - 7 - 6294/1.8=2, 2.9/3126=1 HA2 GLY 47 - HB2 ASP 72 lone 5 97 - 6 - 6319/4.8=2, 6294/1.8=2 HB2 SER 69 - HB2 ASP 72 lone 3 92 - 3 - 6294/1.8=1 Peak 6290 from cnoeabs.peaks (3.89, 2.82, 42.63 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.95: HD3 PRO 73 + HB2 ASP 72 OK 95 98 - 97 - 4.8=71, 6329/3.0=29...(15) HB3 SER 75 - HB2 ASP 72 OK 39 100 - 39 - 4.0/6356=16, 6293/1.8=8...(8) HA2 GLY 85 - HB2 ASP 72 OK 22 99 - 23 - 6293/1.8=5, 1.8/6291=4...(7) HA ALA 31 - HB2 ASP 72 lone 6 100 - 6 - 6279/4.1=1, 6293/1.8=1 Peak 6291 from cnoeabs.peaks (4.29, 2.82, 42.63 ppm; 4.37 A): 1 out of 7 assignments used, quality = 0.95: HD2 PRO 73 + HB2 ASP 72 OK 95 97 - 98 - 4.8=73, 6328/3.0=30...(15) HA3 GLY 85 - HB2 ASP 72 OK 18 78 - 23 - 1.8/6290=5, 6292/1.8=5...(6) HA GLU 58 - HB2 ASP 72 OK 17 83 - 20 - 6292/1.8=5, 3.0/6297=5...(5) HA LYS 63 - HB2 ASP 72 OK 15 93 - 16 - 3.0/7107=3, 3.0/7105=3...(5) HA ALA 79 - HB2 ASP 72 lone 9 89 - 10 - 6292/1.8=3, 4481/4.1=2 HA ASP 32 - HB2 ASP 72 lone 4 87 - 5 - HA ASP 81 - HB2 ASP 72 lone 2 60 - 4 - ~963=1, 3.6/3126=1 Peak 6292 from cnoeabs.peaks (4.28, 2.72, 42.63 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.97: HD2 PRO 73 + HB3 ASP 72 OK 97 100 - 97 - 4.8=71, 6328/3.0=31...(15) HA3 GLY 85 - HB3 ASP 72 OK 20 89 - 23 - 1.8/6293=5, 6291/1.8=4...(7) HA GLU 58 - HB3 ASP 72 OK 20 92 - 22 - 3.6/6303=5, 3.0/6296=4...(6) HA ALA 79 - HB3 ASP 72 OK 12 96 - 12 - 3.6/6511=3, 4481/4.1=2...(4) HA LYS 63 - HB3 ASP 72 OK 12 98 - 12 - 6291/1.8=4, ~7107=2...(4) HA ASP 32 - HB3 ASP 72 lone 3 76 - 4 - Peak 6293 from cnoeabs.peaks (3.88, 2.72, 42.63 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.96: HD3 PRO 73 + HB3 ASP 72 OK 96 100 - 96 - 4.8=67, 6329/3.0=29...(15) HB3 SER 75 - HB3 ASP 72 OK 33 100 - 33 - 4.0/6355=13, 6290/1.8=8...(6) HA2 GLY 85 - HB3 ASP 72 OK 21 100 - 21 - 6290/1.8=5, 1.8/6292=5...(7) HA ALA 31 - HB3 ASP 72 lone 5 97 - 5 - 6290/1.8=1 Peak 6294 from cnoeabs.peaks (3.69, 2.72, 42.63 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.95: HD2 PRO 74 + HB3 ASP 72 OK 94 100 - 94 - 1.8/6295=33, 6289/1.8=30...(14) HD3 PRO 49 + HB3 ASP 72 OK 10 78 - 13 - 6289/1.8=4, 6343/3.0=3...(5) HA LEU 21 - HB3 ASP 72 lone 7 100 - 7 - 6289/1.8=2, 2.9/3130=1 HA2 GLY 47 - HB3 ASP 72 lone 5 90 - 5 - 6319/4.8=2, 6289/1.8=2 HB2 SER 69 - HB3 ASP 72 lone 3 97 - 3 - 6289/1.8=1 Peak 6295 from cnoeabs.peaks (3.47, 2.72, 42.63 ppm; 3.84 A): 3 out of 4 assignments used, quality = 0.91: HD3 PRO 74 + HB3 ASP 72 OK 88 100 - 88 - 6335=28, 6288/1.8=27...(15) HB2 ASN 14 + HB3 ASP 72 OK 15 76 - 20 - 6320/4.8=5, 6285/3.0=4...(6) HB3 PHE 83 + HB3 ASP 72 OK 12 92 - 13 - 6288/1.8=3, 6285/3.0=3...(5) HB2 SER 89 - HB3 ASP 72 lone 6 83 - 7 - 6288/1.8=2, 6278/4.1=1 Peak 6296 from cnoeabs.peaks (2.13, 2.72, 42.63 ppm; 5.08 A): 3 out of 7 assignments used, quality = 0.82: HG2 PRO 74 + HB3 ASP 72 OK 74 78 - 95 - 2.3/6295=34, 2.3/6294=33...(13) HB2 GLU 58 + HB3 ASP 72 OK 23 100 - 23 - 6297/1.8=7, 4.6/6303=5...(6) HB3 GLU 58 + HB3 ASP 72 OK 12 60 - 21 - ~6297=6, 4.6/6303=5...(5) HG3 GLU 65 - HB3 ASP 72 lone 8 98 - 8 - 6297/1.8=3, ~6017=2, 6006/4.8=1 HB3 LYS 77 - HB3 ASP 72 lone 5 81 - 6 - 338/6355=2, 6297/1.8=2 HB2 GLN 19 - HB3 ASP 72 lone 3 92 - 3 - 6297/1.8=1 HB2 GLN 36 - HB3 ASP 72 lone 2 89 - 3 - Peak 6297 from cnoeabs.peaks (2.12, 2.82, 42.63 ppm; 5.10 A): 2 out of 6 assignments used, quality = 0.88: HG2 PRO 74 + HB2 ASP 72 OK 84 89 - 95 - 2.3/6288=34, 2.3/6289=32...(13) HB2 GLU 58 + HB2 ASP 72 OK 24 98 - 25 - 6296/1.8=7, 4.6/6302=5...(7) HG3 GLU 65 - HB2 ASP 72 lone 9 93 - 9 - 6296/1.8=2, 3.0/6017=2...(4) HB3 LYS 77 - HB2 ASP 72 lone 6 90 - 7 - 338/6356=3, 6296/1.8=2 HB2 GLN 19 - HB2 ASP 72 lone 4 97 - 4 - HB2 GLN 36 - HB2 ASP 72 lone 3 96 - 3 - Peak 6302 from cnoeabs.peaks (8.07, 2.82, 42.63 ppm; 4.63 A): 3 out of 4 assignments used, quality = 0.81: H SER 75 + HB2 ASP 72 OK 66 96 - 69 - 6355/1.8=28, 6356=27...(10) H VAL 68 + HB2 ASP 72 OK 29 93 - 30 - 6303/1.8=9, 6144/3.0=7...(6) H THR 59 + HB2 ASP 72 OK 21 99 - 21 - 6303/1.8=7, 4.6/6297=4...(7) H ASN 13 - HB2 ASP 72 lone 6 81 - 8 - 6301/4.1=4, 6303/1.8=2 Peak 6303 from cnoeabs.peaks (8.07, 2.72, 42.63 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.81: H SER 75 + HB3 ASP 72 OK 66 99 - 67 - 6356/1.8=26, 6355=26...(8) H VAL 68 + HB3 ASP 72 OK 27 85 - 31 - 6302/1.8=9, 4.1/6089=6...(6) H THR 59 + HB3 ASP 72 OK 23 100 - 23 - 6302/1.8=7, 3.6/6292=4...(8) H ASN 13 - HB3 ASP 72 lone 7 68 - 10 - 6301/4.1=3, 4.6/12=3, 6302/1.8=2 Peak 6305 from cnoeabs.peaks (1.59, 4.40, 66.80 ppm; 3.74 A): 3 out of 4 assignments used, quality = 0.63: QB ALA 76 + HA PRO 73 OK 53 99 - 53 - 6377=15, 6378/6309=11...(11) HG3 LYS 77 + HA PRO 73 OK 12 71 - 17 - 2.9/4456=6, 2.9/4454=6 HG2 LYS 77 + HA PRO 73 OK 11 68 - 17 - 2.9/4456=6, 2.9/4454=6 HD2 LYS 63 - HA PRO 73 lone 6 100 - 6 - 7134/6309=2, 2937/3.6=1 Peak 6306 from cnoeabs.peaks (2.53, 4.40, 66.80 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.86: HB3 ASN 14 + HA PRO 73 OK 78 99 - 79 - 3.0/6309=34, 4532/2.3=20...(10) HB2 ASN 13 + HA PRO 73 OK 28 100 - 28 - 4535=7, 4.6/4537=6...(7) HB3 ASN 43 + HA PRO 73 OK 12 78 - 15 - 5523=3, 1.8/5522=2...(7) HB2 TRP 82 - HA PRO 73 lone 4 97 - 4 - 4483/3.6=2 Peak 6307 from cnoeabs.peaks (3.48, 4.40, 66.80 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.99: HD3 PRO 74 + HA PRO 73 OK 99 99 - 100 - 2.5=100 Peak 6308 from cnoeabs.peaks (3.68, 4.40, 66.80 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.98: HD2 PRO 74 + HA PRO 73 OK 98 98 - 100 - 2.5=100 Peak 6309 from cnoeabs.peaks (4.89, 4.40, 66.80 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.60: HA ASN 14 + HA PRO 73 OK 60 100 - 61 - 7135=26, 3.0/6306=14...(9) HA LYS 35 - HA PRO 73 lone 2 81 - 2 - Peak 6310 from cnoeabs.peaks (1.95, 2.16, 29.26 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: HG3 PRO 73 + HB2 PRO 73 OK 100 100 - 100 - 2.3=100 Peak 6311 from cnoeabs.peaks (3.48, 2.16, 29.26 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.99: HD3 PRO 74 + HB2 PRO 73 OK 99 99 - 100 - 3.8=100 Peak 6312 from cnoeabs.peaks (3.69, 2.16, 29.26 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 74 + HB2 PRO 73 OK 100 100 - 100 - 3.8=100 Peak 6313 from cnoeabs.peaks (3.69, 2.30, 29.26 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 74 + HB3 PRO 73 OK 100 100 - 100 - 3.8=100 Peak 6314 from cnoeabs.peaks (3.48, 2.30, 29.26 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.97: HD3 PRO 74 + HB3 PRO 73 OK 97 97 - 100 - 3.8=100 Peak 6315 from cnoeabs.peaks (3.69, 2.36, 28.04 ppm; 4.74 A): 2 out of 5 assignments used, quality = 0.92: HD2 PRO 74 + HG2 PRO 73 OK 91 100 - 91 - 6318/1.8=29, 2.5/3151=27...(11) HA2 GLY 47 + HG2 PRO 73 OK 19 97 - 19 - 3.0/5578=7, 6319/2.3=4...(5) HA LEU 21 - HG2 PRO 73 lone 9 100 - 9 - 4800/2.3=3, 6318/1.8=2 HB2 SER 69 - HG2 PRO 73 lone 9 92 - 9 - 6318/1.8=2, 6186/2.3=2...(5) HD3 PRO 49 - HG2 PRO 73 lone 7 89 - 7 - 6319/2.3=3, 4.8/807=2 Peak 6316 from cnoeabs.peaks (3.49, 2.36, 28.04 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.95: HB2 ASN 14 + HG2 PRO 73 OK 79 100 - 79 - 4528/2.3=30, 4530/1.8=25...(9) HD3 PRO 74 + HG2 PRO 73 OK 76 83 - 92 - 1.8/6315=28, 2.5/3151=28...(10) HB3 PHE 83 - HG2 PRO 73 OK 23 99 - 23 - 6317/1.8=6, 6320/2.3=5...(6) HA ILE 27 - HG2 PRO 73 lone 2 78 - 2 - Peak 6317 from cnoeabs.peaks (3.48, 1.95, 28.04 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.96: HD3 PRO 74 + HG3 PRO 73 OK 85 97 - 88 - 1.8/6318=30, 2.5/3152=29...(11) HB2 ASN 14 + HG3 PRO 73 OK 75 98 - 77 - 4528/2.3=23, 4530=21...(10) HB3 PHE 83 - HG3 PRO 73 OK 23 100 - 22 - 6320/2.3=5, 6316/1.8=4...(8) Peak 6318 from cnoeabs.peaks (3.70, 1.95, 28.04 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.84: HD2 PRO 74 + HG3 PRO 73 OK 84 97 - 87 - 2.5/3152=29, 6333/2.3=22...(12) HA2 GLY 47 - HG3 PRO 73 poor 10 71 - 14 - ~5578=5, 6315/1.8=4...(4) HA LEU 21 - HG3 PRO 73 lone 7 97 - 7 - 6315/1.8=2, 4800/2.3=2 HB2 SER 69 - HG3 PRO 73 lone 7 100 - 6 - 6315/1.8=2, 6186/2.3=2, ~6191=1 Peak 6319 from cnoeabs.peaks (3.67, 4.28, 50.80 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.82: HD2 PRO 74 + HD2 PRO 73 OK 79 87 - 91 - 1.8/6340=25, 6333=24...(13) HA2 GLY 47 + HD2 PRO 73 OK 14 100 - 13 - ~5578=4, 6315/2.3=4...(4) HD3 PRO 49 - HD2 PRO 73 lone 9 100 - 9 - 6343/3.8=2, 6333=2...(5) HA LEU 21 - HD2 PRO 73 lone 7 87 - 8 - 6315/2.3=2, 4800/3.0=2 HB2 SER 69 - HD2 PRO 73 lone 4 60 - 7 - 6315/2.3=2, ~6191=1 Peak 6320 from cnoeabs.peaks (3.47, 4.28, 50.80 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.98: HD3 PRO 74 + HD2 PRO 73 OK 93 100 - 94 - 6340=31, 6339/1.8=28...(14) HB2 ASN 14 + HD2 PRO 73 OK 62 87 - 72 - 4528/3.0=19, 4530/2.3=17...(11) HB3 PHE 83 - HD2 PRO 73 OK 29 97 - 29 - 2.4/6599=5, 6323/1.8=5...(10) HB2 SER 89 - HD2 PRO 73 lone 6 71 - 8 - 6323/1.8=2, 6278/4.8=1...(5) Peak 6321 from cnoeabs.peaks (2.80, 4.28, 50.80 ppm; 4.60 A): 2 out of 6 assignments used, quality = 0.95: HB2 ASP 72 + HD2 PRO 73 OK 89 90 - 99 - 4.8=86, 3.0/6328=33...(15) HB2 PHE 17 + HD2 PRO 73 OK 50 90 - 55 - 1.8/6322=12, 6325/1.8=12...(12) HB3 PHE 70 - HD2 PRO 73 OK 14 71 - 20 - ~6224=6, ~6223=3...(7) HB2 TYR 54 - HD2 PRO 73 poor 9 78 - 11 - 6325/1.8=2, ~4702=1...(5) HB3 ASP 84 - HD2 PRO 73 poor 7 63 - 11 - ~7165=2, ~6630=2...(6) HB3 TYR 33 - HD2 PRO 73 lone 5 95 - 5 - 6325/1.8=2 Peak 6322 from cnoeabs.peaks (2.71, 4.28, 50.80 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.97: HB3 ASP 72 + HD2 PRO 73 OK 95 97 - 98 - 4.8=76, 3.0/6328=32...(15) HB3 PHE 17 + HD2 PRO 73 OK 53 100 - 53 - 6327/1.8=12, 1.8/6321=11...(12) HB3 ASN 13 - HD2 PRO 73 OK 19 99 - 19 - 6327/1.8=4, ~4533=4...(5) HB2 ASP 81 - HD2 PRO 73 lone 10 97 - 10 - 4.4/1202=2, 6327/1.8=2...(5) HB3 ASN 24 - HD2 PRO 73 lone 2 93 - 2 - Peak 6323 from cnoeabs.peaks (3.46, 3.88, 50.80 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.93: HD3 PRO 74 + HD3 PRO 73 OK 89 99 - 90 - 6339=29, 6340/1.8=21...(15) HB2 ASN 14 + HD3 PRO 73 OK 37 63 - 59 - ~4532=12, ~4533=12...(11) HB3 PHE 83 - HD3 PRO 73 OK 19 83 - 22 - 6320/1.8=5, ~6599=3...(9) HB2 PHE 70 - HD3 PRO 73 OK 14 63 - 22 - 6278/4.8=8, 6224=4...(8) HB2 SER 89 - HD3 PRO 73 lone 6 92 - 6 - 6278/4.8=1, 6288/4.8=1 Peak 6325 from cnoeabs.peaks (2.81, 3.88, 50.80 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.99: HB2 ASP 72 + HD3 PRO 73 OK 98 99 - 99 - 4.8=87, 3.0/6329=33...(15) HB2 PHE 17 + HD3 PRO 73 OK 55 99 - 56 - 1.8/6327=13, 6321/1.8=11...(11) HB2 TYR 54 - HD3 PRO 73 OK 10 95 - 11 - 6321/1.8=2, 6334/6339=2...(5) HB3 TYR 33 - HD3 PRO 73 lone 7 100 - 7 - 4.3/1162=3, 6321/1.8=1 Peak 6327 from cnoeabs.peaks (2.71, 3.88, 50.80 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.97: HB3 ASP 72 + HD3 PRO 73 OK 94 97 - 97 - 4.8=70, 3.0/6329=30...(15) HB3 PHE 17 + HD3 PRO 73 OK 50 100 - 51 - 1.8/6325=11, 6322/1.8=11...(11) HB3 ASN 13 - HD3 PRO 73 OK 17 99 - 17 - 6322/1.8=4, ~4533=4...(5) HB2 ASP 81 - HD3 PRO 73 lone 7 97 - 7 - 6322/1.8=2, 4329/4.8=2, ~7198=1 HB3 ASN 24 - HD3 PRO 73 lone 2 93 - 2 - Peak 6328 from cnoeabs.peaks (5.39, 4.28, 50.80 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.94: HA ASP 72 + HD2 PRO 73 OK 91 100 - 91 - 3.8=70, 6329/1.8=26...(15) HA PHE 17 + HD2 PRO 73 OK 27 87 - 31 - 6329/1.8=8, 3.0/6322=5...(8) Peak 6329 from cnoeabs.peaks (5.39, 3.88, 50.80 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.94: HA ASP 72 + HD3 PRO 73 OK 94 100 - 94 - 3.8=76, 6328/1.8=29...(14) HA PHE 17 - HD3 PRO 73 OK 28 87 - 33 - 6328/1.8=8, 3.0/6327=6...(8) Peak 6330 from cnoeabs.peaks (5.39, 1.95, 28.04 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.98: HA ASP 72 + HG3 PRO 73 OK 97 99 - 97 - 6287=40, 6328/2.3=38...(20) HA PHE 17 + HG3 PRO 73 OK 50 93 - 53 - 6331/1.8=12, 6329/2.3=11...(10) Peak 6331 from cnoeabs.peaks (5.39, 2.36, 28.04 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.98: HA ASP 72 + HG2 PRO 73 OK 97 100 - 97 - 6328/2.3=38, 6329/2.3=38...(19) HA PHE 17 + HG2 PRO 73 OK 45 87 - 52 - 6330/1.8=14, 6329/2.3=11...(8) Peak 6332 from cnoeabs.peaks (1.54, 4.40, 65.89 ppm; 4.48 A): 2 out of 11 assignments used, quality = 0.49: HG2 LYS 77 + HA PRO 74 OK 29 68 - 43 - 2.9/3201=16, 2.9/3200=16...(4) HG3 LYS 77 + HA PRO 74 OK 28 65 - 43 - 2.9/3201=16, 2.9/3200=16...(4) HB3 PRO 49 - HA PRO 74 lone 6 81 - 7 - 2.3/5631=2, 3.8/7052=2 HB3 LYS 63 - HA PRO 74 lone 4 95 - 4 - 7208/3.8=2, 7208/3201=1 HG2 LYS 45 - HA PRO 74 lone 3 65 - 5 - HB3 LYS 94 - HA PRO 74 lone 3 100 - 3 - HG3 LYS 44 - HA PRO 74 lone 3 96 - 3 - 353/4457=1 HD2 LYS 86 - HA PRO 74 lone 2 100 - 2 - HG13 ILE 93 - HA PRO 74 lone 2 81 - 2 - HB3 GLU 87 - HA PRO 74 lone 1 89 - 1 - HB3 LEU 62 - HA PRO 74 lone 1 90 - 1 - Peak 6333 from cnoeabs.peaks (4.28, 3.69, 50.29 ppm; 3.95 A): 3 out of 12 assignments used, quality = 0.91: HD2 PRO 73 + HD2 PRO 74 OK 88 100 - 88 - 2.3/6318=22, 6319=20...(13) HA3 GLY 85 + HD2 PRO 74 OK 17 93 - 18 - 6340/1.8=5, ~6339=3...(6) HA GLU 58 + HD2 PRO 74 OK 10 96 - 11 - 3.6/4297=5, 6340/1.8=3 HA ASP 32 - HD2 PRO 74 poor 9 68 - 13 - ~4419=3, 6340/1.8=2...(5) HD2 PRO 73 - HD3 PRO 49 lone 6 70 - 9 - 6319=2, 3.8/6343=2...(5) HA LYS 63 - HD2 PRO 74 lone 6 99 - 6 - 6340/1.8=2 HA ASP 32 - HD3 PRO 49 poor 5 40 - 11 - ~5114=5, ~5113=5, 4.8/5653=1 HA ALA 79 - HD2 PRO 74 lone 4 98 - 4 - 6340/1.8=1 HA LYS 63 - HD3 PRO 49 lone 3 68 - 4 - ~7208=1, ~7101=1 HA GLU 58 - HD3 PRO 49 lone 2 63 - 3 - HA ALA 79 - HD3 PRO 49 lone 2 66 - 3 - HA3 GLY 85 - HD3 PRO 49 lone 1 60 - 2 - Peak 6334 from cnoeabs.peaks (2.82, 3.47, 50.29 ppm; 3.96 A): 2 out of 4 assignments used, quality = 0.95: HB2 ASP 72 + HD3 PRO 74 OK 91 100 - 91 - 6288=34, 1.8/6295=28...(15) HB2 PHE 17 + HD3 PRO 74 OK 48 100 - 48 - 1.8/6335=11, 6336/1.8=8...(13) HB2 TYR 54 - HD3 PRO 74 OK 31 100 - 31 - 6336/1.8=5, 5842/3.0=5...(11) HB3 TYR 33 - HD3 PRO 74 lone 6 100 - 6 - 4.4/5156=1 Peak 6335 from cnoeabs.peaks (2.71, 3.47, 50.29 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.94: HB3 ASP 72 + HD3 PRO 74 OK 90 100 - 90 - 6295=36, 1.8/6288=27...(15) HB3 PHE 17 + HD3 PRO 74 OK 45 100 - 45 - 1.8/6334=10, 6337/1.8=8...(13) HB3 ASN 13 - HD3 PRO 74 OK 14 100 - 14 - ~6306=5, ~4535=3...(4) HB2 ASP 81 - HD3 PRO 74 lone 4 100 - 3 - HB3 ASN 24 - HD3 PRO 74 lone 2 99 - 2 - Peak 6336 from cnoeabs.peaks (2.82, 3.69, 50.29 ppm; 4.46 A): 2 out of 8 assignments used, quality = 0.98: HB2 ASP 72 + HD2 PRO 74 OK 95 100 - 95 - 6289=35, 6288/1.8=32...(14) HB2 PHE 17 + HD2 PRO 74 OK 54 100 - 55 - 6334/1.8=12, 1.8/6337=12...(12) HB2 TYR 54 - HD2 PRO 74 OK 38 97 - 39 - 6334/1.8=8, 5842/3.0=6...(11) HB2 TYR 54 - HD3 PRO 49 OK 14 65 - 21 - ~5630=8, 5843/3.0=3...(8) HB2 ASP 72 - HD3 PRO 49 OK 10 69 - 15 - 6289=5, 1.8/6294=3...(5) HB3 TYR 33 - HD2 PRO 74 lone 6 100 - 6 - 6334/1.8=2 HB3 TYR 33 - HD3 PRO 49 lone 2 70 - 2 - HB2 PHE 17 - HD3 PRO 49 lone 2 69 - 2 - Peak 6337 from cnoeabs.peaks (2.70, 3.69, 50.29 ppm; 4.44 A): 3 out of 10 assignments used, quality = 0.94: HB3 ASP 72 + HD2 PRO 74 OK 85 90 - 94 - 6294=32, 6295/1.8=29...(14) HB3 PHE 17 + HD2 PRO 74 OK 51 99 - 51 - 6335/1.8=12, 1.8/6336=9...(11) HB3 ASN 13 + HD2 PRO 74 OK 17 96 - 17 - ~6306=6, ~4535=4...(4) HB3 ASP 72 - HD3 PRO 49 poor 8 57 - 14 - 1.8/6289=4, 6294=4...(5) HB2 ASP 81 - HD2 PRO 74 lone 3 92 - 3 - HB3 ASN 24 - HD2 PRO 74 lone 2 85 - 2 - HB3 PHE 17 - HD3 PRO 49 lone 1 67 - 2 - HB3 ASN 13 - HD3 PRO 49 lone 1 63 - 1 - HB2 ASP 81 - HD3 PRO 49 lone 1 59 - 1 - HB3 ASN 24 - HD3 PRO 49 lone 1 53 - 1 - Peak 6338 from cnoeabs.peaks (2.32, 3.69, 50.29 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.87: HB3 PRO 73 + HD2 PRO 74 OK 87 87 - 100 - 3.8=100 Peak 6339 from cnoeabs.peaks (3.89, 3.47, 50.29 ppm; 3.85 A): 3 out of 4 assignments used, quality = 0.92: HD3 PRO 73 + HD3 PRO 74 OK 85 98 - 87 - 6323=22, 1.8/6340=19...(15) HB3 SER 75 + HD3 PRO 74 OK 31 100 - 32 - 4.0/341=18, 4.6/6372=7...(6) HA2 GLY 85 + HD3 PRO 74 OK 18 99 - 18 - 1.8/6340=4, ~6333=3...(7) HA ALA 31 - HD3 PRO 74 lone 5 100 - 5 - Peak 6340 from cnoeabs.peaks (4.28, 3.47, 50.29 ppm; 4.33 A): 4 out of 6 assignments used, quality = 0.95: HD2 PRO 73 + HD3 PRO 74 OK 92 100 - 92 - 1.8/6339=27, 6319/1.8=26...(14) HA3 GLY 85 + HD3 PRO 74 OK 21 93 - 22 - 1.8/6339=6, 6333/1.8=5...(10) HA GLU 58 + HD3 PRO 74 OK 12 96 - 13 - 3.6/4298=7, 6333/1.8=3 HA ASP 32 + HD3 PRO 74 OK 10 68 - 15 - ~4419=4, ~4421=3...(5) HA LYS 63 - HD3 PRO 74 lone 7 99 - 7 - 6333/1.8=2, ~7101=1, ~7208=1 HA ALA 79 - HD3 PRO 74 lone 7 98 - 7 - 6466/6372=2, 6333/1.8=1 Peak 6342 from cnoeabs.peaks (5.38, 3.47, 50.29 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.96: HA ASP 72 + HD3 PRO 74 OK 96 100 - 96 - 6343/1.8=31, 6285=31...(19) HA PHE 17 - HD3 PRO 74 OK 39 78 - 50 - 3.0/6335=11, 3.0/6334=10...(14) Peak 6343 from cnoeabs.peaks (5.37, 3.69, 50.29 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.83: HA ASP 72 + HD2 PRO 74 OK 83 90 - 92 - 3.0/6294=25, 3.0/6289=24...(17) HA ASP 72 - HD3 PRO 49 poor 7 57 - 13 - 3.0/6289=3, 6287/2.3=3...(4) Peak 6349 from cnoeabs.peaks (7.05, 3.04, 62.72 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.83: QD PHE 70 + HB2 SER 75 OK 80 100 - 81 - 6350/1.8=27, 2.5/6358=25...(12) HZ PHE 17 + HB2 SER 75 OK 12 93 - 13 - 6348/4.0=6, 6350/1.8=4 HD22 ASN 91 - HB2 SER 75 poor 10 90 - 10 - 6350/1.8=3, 6769/3.0=3 HZ3 TRP 82 - HB2 SER 75 lone 8 97 - 8 - 6350/1.8=3, 6348/4.0=2 HD21 ASN 13 - HB2 SER 75 lone 1 60 - 2 - Peak 6350 from cnoeabs.peaks (7.05, 3.88, 62.72 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.86: QD PHE 70 + HB3 SER 75 OK 84 100 - 85 - 6349/1.8=30, 2.5/6360=26...(13) HZ PHE 17 + HB3 SER 75 OK 12 85 - 14 - 6348/4.0=7, 6349/1.8=5 HD22 ASN 91 - HB3 SER 75 poor 10 81 - 11 - 6349/1.8=4, 6348/4.0=3 HZ3 TRP 82 - HB3 SER 75 lone 8 90 - 9 - 6349/1.8=3, 6348/4.0=2 Peak 6351 from cnoeabs.peaks (8.48, 3.04, 62.72 ppm; 5.58 A): 5 out of 8 assignments used, quality = 0.75: H ASP 72 + HB2 SER 75 OK 46 100 - 46 - 6346/4.0=16, 6352/1.8=14...(6) H THR 42 + HB2 SER 75 OK 23 97 - 24 - 7049=5, 6346/4.0=4...(7) H PHE 83 + HB2 SER 75 OK 18 100 - 18 - 6352/1.8=5, 6346/4.0=4...(4) H TRP 82 + HB2 SER 75 OK 16 97 - 17 - 6346/4.0=4, 6576/6361=3...(5) H ALA 98 + HB2 SER 75 OK 13 99 - 13 - 6352/1.8=3, 6346/4.0=3 H LEU 21 - HB2 SER 75 lone 8 93 - 9 - 6352/1.8=2, 6346/4.0=2 H THR 15 - HB2 SER 75 lone 6 65 - 9 - 6346/4.0=3, 6352/1.8=2, 7049=1 H ILE 93 - HB2 SER 75 lone 4 68 - 5 - 6352/1.8=1 Peak 6352 from cnoeabs.peaks (8.48, 3.88, 62.72 ppm; 5.22 A): 6 out of 9 assignments used, quality = 0.84: H ASP 72 + HB3 SER 75 OK 53 100 - 54 - 6346/4.0=15, 6351/1.8=12...(9) H ASP 71 + HB3 SER 75 OK 35 65 - 54 - 4.4/6350=22, 4.3/6360=21...(5) H PHE 83 + HB3 SER 75 OK 18 100 - 18 - 6351/1.8=5, 6346/4.0=3...(4) H THR 42 + HB3 SER 75 OK 15 99 - 15 - 6351/1.8=6, 6346/4.0=4 H ALA 98 + HB3 SER 75 OK 13 100 - 13 - 6351/1.8=3, 6346/4.0=3 H TRP 82 + HB3 SER 75 OK 13 90 - 14 - 6351/1.8=4, 6346/4.0=3, 6279=1 H LEU 21 - HB3 SER 75 lone 9 98 - 9 - 6351/1.8=2, 6346/4.0=2 H THR 15 - HB3 SER 75 lone 7 78 - 9 - 6346/4.0=2, 4563/6362=2 H ILE 93 - HB3 SER 75 lone 4 81 - 5 - Peak 6357 from cnoeabs.peaks (2.79, 3.04, 62.72 ppm; 4.87 A): 4 out of 6 assignments used, quality = 0.87: HB3 PHE 70 + HB2 SER 75 OK 76 90 - 84 - 1.8/6358=30, 2.5/6349=27...(8) HB2 ASP 72 + HB2 SER 75 OK 25 71 - 36 - 6356/4.0=12, 4.1/6351=8...(6) HB3 PHE 34 + HB2 SER 75 OK 18 73 - 24 - 6359/1.8=8, 1.8/6358=6...(5) HB2 PHE 17 + HB2 SER 75 OK 10 71 - 14 - 6371/4.6=5, 6356/4.0=4...(4) HB3 TYR 33 - HB2 SER 75 lone 7 78 - 9 - 6371/4.6=3, 6359/1.8=2 HB3 ASP 84 - HB2 SER 75 lone 5 85 - 6 - 6359/1.8=2, 6371/4.6=1 Peak 6358 from cnoeabs.peaks (3.44, 3.04, 62.72 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.76: HB2 PHE 70 + HB2 SER 75 OK 72 100 - 73 - 6360/1.8=26, 2.5/6349=23...(8) HB2 PHE 34 + HB2 SER 75 OK 14 68 - 20 - ~4435=6, ~6359=5...(4) HA ILE 80 - HB2 SER 75 poor 9 71 - 12 - 3.2/6365=3, 6360/1.8=2...(4) HB2 PHE 83 - HB2 SER 75 lone 6 96 - 7 - 4.0/6351=3, 6360/1.8=2 HB2 SER 89 - HB2 SER 75 lone 5 99 - 4 - 6360/1.8=2 Peak 6359 from cnoeabs.peaks (2.79, 3.88, 62.72 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.86: HB3 PHE 70 + HB3 SER 75 OK 75 97 - 78 - 1.8/6360=26, 2.5/6350=23...(9) HB3 PHE 34 + HB3 SER 75 OK 27 85 - 32 - 4435=7, 1.8/4433=6...(9) HB2 ASP 72 + HB3 SER 75 OK 22 57 - 38 - 1.8/6293=9, 6356/4.0=8...(8) HB3 TYR 33 - HB3 SER 75 poor 8 65 - 11 - 4.3/1162=4, 6371/4.6=2 HB2 PHE 17 - HB3 SER 75 poor 7 57 - 12 - 6371/4.6=4, 6356/4.0=3...(4) HB3 ASP 84 - HB3 SER 75 lone 7 93 - 7 - 6226=1, 6357/1.8=1, 3.0/7165=1 Peak 6360 from cnoeabs.peaks (3.44, 3.88, 62.72 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.80: HB2 PHE 70 + HB3 SER 75 OK 75 97 - 78 - 6224=26, 6358/1.8=26...(9) HD3 PRO 74 + HB3 SER 75 OK 21 68 - 31 - 341/4.0=16, 6339=7...(7) HA ILE 80 - HB3 SER 75 poor 7 57 - 13 - 6358/1.8=3, 3.2/6367=3...(4) HB2 PHE 83 - HB3 SER 75 lone 6 89 - 7 - 6358/1.8=2, 4.0/6352=2 HB2 SER 89 - HB3 SER 75 lone 5 100 - 5 - 6358/1.8=2 Peak 6361 from cnoeabs.peaks (1.40, 3.04, 62.72 ppm; 5.08 A): 4 out of 7 assignments used, quality = 0.86: QB ALA 78 + HB2 SER 75 OK 74 100 - 74 - 4461/3.0=34, ~4459=23...(7) HG2 LYS 41 + HB2 SER 75 OK 25 100 - 26 - 4460/3.0=5, 6354/4.0=5...(7) HG2 LYS 61 + HB2 SER 75 OK 15 78 - 19 - 4460/3.0=4, 6354/4.0=3...(6) HG3 LYS 61 + HB2 SER 75 OK 14 76 - 19 - 4460/3.0=3, 6354/4.0=3...(6) HG3 LYS 45 - HB2 SER 75 lone 8 100 - 8 - 4460/3.0=2, 6368/4.6=2 HB3 LEU 53 - HB2 SER 75 lone 7 97 - 7 - 4460/3.0=2 HD3 LYS 86 - HB2 SER 75 lone 3 76 - 4 - Peak 6362 from cnoeabs.peaks (1.61, 3.88, 62.72 ppm; 5.55 A): 3 out of 4 assignments used, quality = 0.81: QB ALA 76 + HB3 SER 75 OK 71 99 - 72 - 937/4.6=37, ~344=25...(7) HD3 LYS 41 + HB3 SER 75 OK 20 85 - 24 - 6353/4.0=7, ~6361=5...(7) HD2 LYS 41 + HB3 SER 75 OK 20 85 - 24 - 6353/4.0=7, ~6361=5...(7) HD2 LYS 63 - HB3 SER 75 lone 8 95 - 9 - 6353/4.0=2, 937/4.6=2 Peak 6364 from cnoeabs.peaks (0.85, 4.02, 61.55 ppm; 4.15 A): 5 out of 10 assignments used, quality = 0.87: QG2 ILE 37 + HA SER 75 OK 61 100 - 62 - 5288=26, 3.3/5274=12...(10) QG2 VAL 30 + HA SER 75 OK 29 100 - 29 - 5066/3.6=5, 2.1/7067=5...(11) QG1 VAL 30 + HA SER 75 OK 27 99 - 27 - 5070/3.6=5, 6365/3.0=3...(11) QG2 ILE 80 + HA SER 75 OK 21 100 - 22 - 6380/3.6=4, 6365/3.0=3...(10) QG2 ILE 16 + HA SER 75 OK 21 89 - 24 - 5302/3.6=6, 5288=6...(8) QD1 ILE 51 - HA SER 75 poor 8 71 - 12 - 5723/3.0=3, 6363/2.9=2...(4) QD2 LEU 62 - HA SER 75 lone 8 98 - 8 - 6365/3.0=1, 6380/3.6=1 QG1 VAL 18 - HA SER 75 lone 7 76 - 9 - ~4691=1, 6363/2.9=1 QG2 THR 42 - HA SER 75 lone 4 63 - 7 - 6363/2.9=1, 6365/3.0=1, 5498=1 QG2 VAL 25 - HA SER 75 lone 3 60 - 5 - 4.3/4920=1 Peak 6365 from cnoeabs.peaks (0.85, 3.04, 62.72 ppm; 4.57 A): 6 out of 9 assignments used, quality = 0.86: QG2 ILE 37 + HB2 SER 75 OK 55 100 - 56 - 5288/3.0=19, 5286=14...(8) QG2 VAL 30 + HB2 SER 75 OK 28 100 - 29 - 6364/3.0=5, 6367/1.8=5...(7) QG1 VAL 30 + HB2 SER 75 OK 24 97 - 25 - 6364/3.0=5, 5070/4.6=5...(6) QG2 ILE 80 + HB2 SER 75 OK 20 99 - 21 - 6364/3.0=4, 6367/1.8=4...(7) QG2 ILE 16 + HB2 SER 75 OK 18 78 - 23 - 5302/4.6=6, 4625/6349=4...(5) QD1 ILE 51 + HB2 SER 75 OK 11 83 - 13 - 5723/1.8=5, 5712/4.6=3...(4) QG2 THR 42 - HB2 SER 75 lone 8 76 - 10 - 4.0/6351=4, 6363/4.0=2...(4) QD2 LEU 62 - HB2 SER 75 lone 7 93 - 8 - 6364/3.0=1, 6367/1.8=1 QG1 VAL 18 - HB2 SER 75 lone 6 87 - 7 - 6363/4.0=2, 6364/3.0=1 Peak 6367 from cnoeabs.peaks (0.85, 3.88, 62.72 ppm; 5.18 A): 6 out of 9 assignments used, quality = 0.92: QG2 ILE 37 + HB3 SER 75 OK 60 100 - 61 - 5288/3.0=22, 5286/1.8=17...(7) QG2 VAL 30 + HB3 SER 75 OK 36 100 - 37 - 6365/1.8=7, 5066/4.6=7...(7) QG1 VAL 30 + HB3 SER 75 OK 31 97 - 33 - 6365/1.8=6, 6364/3.0=6...(7) QG2 ILE 80 + HB3 SER 75 OK 26 99 - 26 - 6365/1.8=5, 6364/3.0=5...(6) QG2 ILE 16 + HB3 SER 75 OK 24 78 - 30 - 5302/4.6=7, 4625/6350=5...(8) QD1 ILE 51 + HB3 SER 75 OK 18 83 - 21 - 5723=5, 5712/4.6=3...(6) QD2 LEU 62 - HB3 SER 75 lone 10 93 - 10 - 6365/1.8=2, 6364/3.0=2 QG1 VAL 18 - HB3 SER 75 lone 8 87 - 9 - 6363/4.0=2, 6365/1.8=2 QG2 THR 42 - HB3 SER 75 poor 8 76 - 10 - 4.0/6352=3, 6363/4.0=2...(4) Peak 6374 from cnoeabs.peaks (2.77, 1.60, 17.70 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.90: HB3 PHE 70 + QB ALA 76 OK 85 99 - 86 - 2.5/6393=37, ~6391=25...(12) HB3 PHE 34 + QB ALA 76 OK 20 100 - 20 - 6371/2.9=3, ~1743=2...(8) HB3 ASP 84 + QB ALA 76 OK 11 100 - 11 - 4.0/6549=3, 6228=2, 6371/2.9=1 HB2 ASP 32 - QB ALA 76 lone 5 89 - 6 - 4419/6305=2, 5099/5093=1 Peak 6375 from cnoeabs.peaks (3.46, 1.60, 17.70 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.88: HB2 PHE 70 + QB ALA 76 OK 62 73 - 85 - 2.5/6393=36, 1.8/6374=26...(11) HD3 PRO 74 + QB ALA 76 OK 58 96 - 61 - 2.5/6305=27, 3.6/6377=12...(8) HB3 PHE 83 + QB ALA 76 OK 26 73 - 36 - 2.4/6396=12, ~4467=7...(8) HB2 SER 89 - QB ALA 76 lone 5 97 - 5 - Peak 6376 from cnoeabs.peaks (3.81, 1.60, 17.70 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.90: HA LYS 77 + QB ALA 76 OK 90 90 - 100 - 4.8=100 Peak 6377 from cnoeabs.peaks (4.41, 1.60, 17.70 ppm; 4.03 A): 3 out of 8 assignments used, quality = 0.88: HA PRO 73 + QB ALA 76 OK 62 99 - 63 - 6305=31, 6309/6378=13...(10) HA PRO 74 + QB ALA 76 OK 60 100 - 61 - 4451/2.9=19, 4452/3.6=17...(7) HA ASP 71 + QB ALA 76 OK 18 99 - 19 - 3.0/6401=5, 1174/2.9=2...(7) HB THR 46 - QB ALA 76 lone 6 96 - 6 - 1178/3.6=2, 1174/2.9=2, ~2345=1 HA SER 29 - QB ALA 76 lone 4 83 - 4 - 1178/3.6=1 HA MET 50 - QB ALA 76 lone 3 81 - 4 - HA THR 42 - QB ALA 76 lone 3 73 - 4 - 3.0/6401=1 HA THR 59 - QB ALA 76 lone 2 65 - 3 - Peak 6378 from cnoeabs.peaks (4.89, 1.60, 17.70 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.74: HA ASN 14 + QB ALA 76 OK 74 100 - 75 - 7134=32, 6373/2.9=16...(13) HA LYS 35 - QB ALA 76 lone 6 81 - 7 - 6373/2.9=2, 5335/6395=2 Peak 6379 from cnoeabs.peaks (5.18, 1.60, 17.70 ppm; 5.39 A): 1 out of 3 assignments used, quality = 0.83: HA ILE 16 + QB ALA 76 OK 83 99 - 84 - 3.2/4589=30, 4.9/6399=26...(14) HA LYS 94 - QB ALA 76 lone 7 95 - 7 - 3.0/6400=2, 6533/6386=2 HA ILE 93 - QB ALA 76 lone 5 60 - 8 - 4795/6386=2, 3.6/6400=2 Peak 6382 from cnoeabs.peaks (0.83, 3.60, 54.83 ppm; 3.40 A): 6 out of 8 assignments used, quality = 0.92: QG2 ILE 16 + HA ALA 76 OK 71 100 - 71 - 7055=31, 4589/2.1=22...(14) QG2 ILE 80 + HA ALA 76 OK 34 97 - 35 - 4.0/1193=11, ~6386=6...(10) QG2 ILE 37 + HA ALA 76 OK 30 90 - 34 - 7055=8, 5302/3.0=6...(10) QG1 VAL 30 + HA ALA 76 OK 20 99 - 20 - 5070/3.0=4, 6384/2.1=4...(7) QG2 VAL 30 + HA ALA 76 OK 17 93 - 19 - 5066/3.0=3, 6384/2.1=3...(7) QG2 ILE 40 + HA ALA 76 OK 13 89 - 14 - 6384/2.1=3, 5391/6391=3...(5) QG2 VAL 25 - HA ALA 76 lone 6 92 - 7 - 6384/2.1=2 QD2 LEU 62 - HA ALA 76 lone 5 100 - 5 - 6384/2.1=1 Peak 6383 from cnoeabs.peaks (0.27, 3.60, 54.83 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.91: QD1 ILE 16 + HA ALA 76 OK 85 97 - 88 - 4609=38, 3.1/7055=28...(15) QD1 LEU 21 + HA ALA 76 OK 33 93 - 35 - ~6386=10, 6385/2.1=10...(6) QG2 VAL 68 + HA ALA 76 OK 12 63 - 19 - ~6162=6, 6152/3.0=3...(5) Peak 6384 from cnoeabs.peaks (0.83, 1.60, 17.70 ppm; 3.08 A): 6 out of 8 assignments used, quality = 0.90: QG2 ILE 16 + QB ALA 76 OK 69 100 - 69 - 4589=30, 7055/2.1=18...(15) QG2 ILE 80 + QB ALA 76 OK 29 92 - 32 - 3.0/6386=8, 6382/2.1=5...(7) QG2 ILE 37 + QB ALA 76 OK 26 83 - 31 - 4589=8, 4.4/6395=5...(8) QG1 VAL 30 + QB ALA 76 OK 18 96 - 19 - 5070/2.9=3, 6382/2.1=3...(6) QG2 VAL 30 + QB ALA 76 OK 16 87 - 18 - 6382/2.1=2, 5066/2.9=2...(6) QG2 ILE 40 + QB ALA 76 OK 14 95 - 15 - 5391/6393=2, 6382/2.1=2...(5) QG2 VAL 25 - QB ALA 76 lone 8 97 - 8 - QD2 LEU 62 - QB ALA 76 lone 6 98 - 6 - Peak 6385 from cnoeabs.peaks (0.26, 1.60, 17.70 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.93: QD1 ILE 16 + QB ALA 76 OK 90 99 - 90 - 4609/2.1=33, 3.1/4589=28...(18) QD1 LEU 21 + QB ALA 76 OK 36 85 - 42 - 2.1/6386=16, 6383/2.1=10...(10) Peak 6386 from cnoeabs.peaks (-0.17, 1.60, 17.70 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.82: QD1 ILE 80 + QB ALA 76 OK 69 100 - 69 - 6420/4.8=20, 6417/3.6=19...(16) QD2 LEU 21 + QB ALA 76 OK 44 96 - 46 - 2.1/6385=10, 6420/4.8=8...(10) Peak 6391 from cnoeabs.peaks (7.05, 3.60, 54.83 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.79: QD PHE 70 + HA ALA 76 OK 79 100 - 79 - 4715=32, 6393/2.1=31...(12) HZ3 TRP 82 - HA ALA 76 lone 4 89 - 5 - 6393/2.1=3 HZ PHE 17 - HA ALA 76 lone 3 83 - 4 - 6393/2.1=2 HD22 ASN 91 - HA ALA 76 lone 2 78 - 3 - 6393/2.1=2 Peak 6392 from cnoeabs.peaks (6.98, 3.60, 54.83 ppm; 3.95 A): 3 out of 7 assignments used, quality = 0.84: QE PHE 70 + HA ALA 76 OK 70 96 - 74 - 2.2/6391=31, ~6393=19...(12) QE PHE 83 + HA ALA 76 OK 38 100 - 38 - 2.2/4467=8, 4711=8...(10) HZ PHE 88 + HA ALA 76 OK 11 100 - 11 - 6394/2.1=2, 2.2/4711=2...(5) HE22 GLN 48 - HA ALA 76 lone 9 100 - 9 - 1.7/4467=3, 6394/2.1=2...(4) HD21 ASN 52 - HA ALA 76 lone 2 99 - 2 - HD21 ASN 24 - HA ALA 76 lone 1 92 - 1 - HE22 GLN 19 - HA ALA 76 lone 1 60 - 1 - Peak 6393 from cnoeabs.peaks (7.05, 1.60, 17.70 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.78: QD PHE 70 + QB ALA 76 OK 78 100 - 78 - 6391/2.1=27, 4716=15...(19) HZ3 TRP 82 - QB ALA 76 lone 7 96 - 7 - 4.3/6395=2, 6391/2.1=2 HZ PHE 17 - QB ALA 76 lone 4 92 - 5 - 6391/2.1=1 HD22 ASN 91 - QB ALA 76 lone 4 89 - 4 - Peak 6394 from cnoeabs.peaks (6.97, 1.60, 17.70 ppm; 4.35 A): 5 out of 8 assignments used, quality = 0.94: QE PHE 70 + QB ALA 76 OK 83 100 - 83 - 2.2/6393=36, ~6391=23...(14) QE PHE 83 + QB ALA 76 OK 40 95 - 42 - 2.2/6396=11, 6392/2.1=11...(11) HZ PHE 83 + QB ALA 76 OK 22 76 - 29 - 3.8/6396=9, ~6392=7...(7) HZ PHE 88 + QB ALA 76 OK 16 98 - 16 - 6392/2.1=3, 4853/6386=2...(7) HE22 GLN 48 + QB ALA 76 OK 12 99 - 11 - 1.7/6396=3, 6392/2.1=3, ~4467=3 QE PHE 88 - QB ALA 76 poor 9 78 - 11 - ~6392=2, 4711/2.1=2...(4) HD21 ASN 52 - QB ALA 76 lone 4 92 - 4 - HD21 ASN 24 - QB ALA 76 lone 2 73 - 3 - Peak 6395 from cnoeabs.peaks (7.33, 1.60, 17.70 ppm; 3.51 A): 0 out of 4 assignments used, low quality = 0.42: QD PHE 97 - QB ALA 76 OK 28 100 - 28 - 6964=9, 4759/4.8=8...(7) H GLY 38 - QB ALA 76 OK 19 98 - 20 - 5329/6393=4, 6403/4.8=3...(9) HZ2 TRP 82 - QB ALA 76 lone 5 97 - 5 - 6403/4.8=1, 4.3/6393=1 H THR 26 - QB ALA 76 lone 2 68 - 3 - Peak 6396 from cnoeabs.peaks (7.56, 1.60, 17.70 ppm; 5.23 A): 3 out of 3 assignments used, quality = 0.92: H ILE 80 + QB ALA 76 OK 73 97 - 76 - 1193/2.1=33, 1192/4.8=19...(13) QD PHE 83 + QB ALA 76 OK 66 100 - 66 - 4467/2.1=13, ~6392=10...(17) HE21 GLN 48 + QB ALA 76 OK 16 81 - 19 - 4467/2.1=4, 1.7/6394=3...(6) Peak 6397 from cnoeabs.peaks (7.86, 1.60, 17.70 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.87: H ALA 78 + QB ALA 76 OK 87 97 - 89 - 1118/3.6=43, 1175/2.9=39...(12) Peak 6398 from cnoeabs.peaks (8.10, 1.60, 17.70 ppm; 4.88 A): 5 out of 5 assignments used, quality = 0.90: H ALA 79 + QB ALA 76 OK 70 78 - 90 - 1187/2.1=31, 6468/2.9=26...(15) H ILE 39 + QB ALA 76 OK 29 89 - 33 - 4.6/6395=12, 5376/6393=7...(7) H VAL 68 + QB ALA 76 OK 27 95 - 28 - 6164/6399=9, 4637/4577=4...(8) H ASN 13 + QB ALA 76 OK 24 99 - 25 - 4.6/6400=17, 4.0/4534=3 H GLU 23 + QB ALA 76 OK 13 90 - 14 - 1179/3.6=3, 64/4.8=2...(4) Peak 6399 from cnoeabs.peaks (5.53, 1.60, 17.70 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.82: HA THR 15 + QB ALA 76 OK 82 100 - 82 - 4567=39, 4.9/6378=27...(12) HA GLU 65 - QB ALA 76 lone 8 83 - 10 - 4791/6385=2, 4622/4589=2 Peak 6400 from cnoeabs.peaks (8.38, 1.60, 17.70 ppm; 5.23 A): 1 out of 5 assignments used, quality = 0.76: H ASN 14 + QB ALA 76 OK 76 92 - 83 - 3.0/6378=42, 4539=24...(12) H LYS 35 - QB ALA 76 poor 9 57 - 16 - 4.2/6374=5, 3.0/6378=4...(4) H ASN 24 - QB ALA 76 lone 7 92 - 8 - 4.5/6398=2, 4873/4.8=2 H LYS 94 - QB ALA 76 lone 7 81 - 9 - 3.0/6379=2, 3.6/6379=1 H ASN 52 - QB ALA 76 lone 5 97 - 5 - Peak 6401 from cnoeabs.peaks (8.47, 1.60, 17.70 ppm; 4.48 A): 4 out of 9 assignments used, quality = 0.94: H THR 15 + QB ALA 76 OK 72 95 - 76 - 3.6/6378=32, 3.0/6399=26...(12) H ASP 71 + QB ALA 76 OK 51 87 - 59 - 4.4/6393=24, 4.3/6374=16...(9) H ALA 98 + QB ALA 76 OK 33 99 - 33 - 4.9/6395=13, 6996/6379=6...(7) H PHE 83 + QB ALA 76 OK 31 97 - 32 - 4.4/6396=8, 4.0/6375=4...(9) H LEU 21 - QB ALA 76 OK 26 100 - 25 - 4.7/6386=8, 4.7/6385=6...(7) H ASP 72 - QB ALA 76 OK 24 98 - 24 - 6300/6393=6, 3.6/6377=4...(8) H THR 42 - QB ALA 76 OK 13 100 - 12 - 4563=2 H TRP 82 - QB ALA 76 OK 12 71 - 17 - 4.6/6549=5, 7167/6400=1...(4) H ILE 93 - QB ALA 76 lone 8 96 - 8 - 4.7/6400=1, 3.0/6379=1 Peak 6402 from cnoeabs.peaks (8.96, 1.60, 17.70 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.82: H PHE 70 + QB ALA 76 OK 77 99 - 78 - 4.6/6393=28, 4.1/6374=21...(14) H VAL 18 + QB ALA 76 OK 11 85 - 13 - 4541/6399=2, 4707/6385=2...(7) H SER 96 + QB ALA 76 OK 11 65 - 16 - 6935/6379=3, 6947/6386=3...(6) H ASP 56 - QB ALA 76 lone 7 95 - 7 - 5970/886=1 Peak 6403 from cnoeabs.peaks (7.33, 3.79, 58.58 ppm; 4.56 A): 2 out of 4 assignments used, quality = 0.94: QD PHE 97 + HA LYS 77 OK 91 99 - 91 - 4759=30, 6404/3.0=21...(21) H GLY 38 + HA LYS 77 OK 39 97 - 40 - 6395/4.8=10, 6404/3.0=5...(14) HZ2 TRP 82 - HA LYS 77 OK 17 95 - 18 - 6404/3.0=3, 6395/4.8=3...(9) H THR 26 - HA LYS 77 poor 8 73 - 11 - 80/3.0=2, 6404/3.0=1...(4) Peak 6404 from cnoeabs.peaks (7.33, 2.11, 32.15 ppm; 4.70 A): 3 out of 4 assignments used, quality = 0.93: QD PHE 97 + HB3 LYS 77 OK 90 99 - 91 - 2.2/4761=24, 4759/3.0=20...(21) H GLY 38 + HB3 LYS 77 OK 23 97 - 24 - 6403/3.0=8, 6408/3.7=6...(7) HZ2 TRP 82 + HB3 LYS 77 OK 14 95 - 15 - 6403/3.0=4, 6408/3.7=3...(5) H THR 26 - HB3 LYS 77 lone 6 73 - 8 - 80/1.8=2, 6403/3.0=2, 6408/3.7=1 Peak 6405 from cnoeabs.peaks (7.33, 1.57, 24.86 ppm; 4.44 A): 2 out of 15 assignments used, quality = 0.99: QD PHE 97 + HG2 LYS 77 OK 91 100 - 92 - 6404/2.9=20, 4760/1.8=17...(26) QD PHE 97 + HG3 LYS 77 OK 91 100 - 92 - 6404/2.9=20, 4760/1.8=17...(26) H GLY 38 - HG3 LYS 77 OK 22 99 - 23 - 6403/3.8=6, 6408/3.0=6...(4) H GLY 38 - HG2 LYS 77 OK 22 99 - 23 - 6403/3.8=6, 6408/3.0=6...(4) HZ2 TRP 82 - HG2 LYS 77 OK 12 99 - 12 - 6404/2.9=3, 6403/3.8=3...(4) HZ2 TRP 82 - HG3 LYS 77 OK 12 99 - 12 - 6404/2.9=3, 6403/3.8=3...(4) H GLY 38 - HG3 LYS 44 OK 12 86 - 14 - 5336/3.0=2, 5336/3.0=2...(7) QD PHE 97 - HG3 LYS 44 lone 5 88 - 5 - H THR 26 - HG2 LYS 77 lone 4 60 - 7 - 80/2.9=2, 6403/3.8=1...(4) H THR 26 - HG3 LYS 77 lone 4 60 - 7 - 80/2.9=2, 6403/3.8=1...(4) HD21 ASN 91 - HG2 LYS 77 lone 2 63 - 3 - 5.7/6750=1 HD21 ASN 91 - HG3 LYS 77 lone 2 63 - 3 - 5.7/6750=1 HZ2 TRP 82 - HG3 LYS 44 lone 1 85 - 1 - HD21 ASN 91 - HG3 LYS 44 lone 1 49 - 2 - 5.7/6750=1 H THR 26 - HG3 LYS 44 lone 1 47 - 2 - Peak 6407 from cnoeabs.peaks (7.33, 1.70, 28.52 ppm; 5.09 A): 4 out of 40 assignments used, quality = 0.91: QD PHE 97 + HD2 LYS 77 OK 81 99 - 82 - 6408/1.8=23, 6404/3.7=22...(13) H GLY 38 + HD2 LYS 77 OK 32 97 - 33 - 6408/1.8=9, 6403/4.6=7...(10) H GLY 38 + HD3 LYS 44 OK 19 66 - 29 - ~5339=3, 5336/1.8=3...(12) H GLY 38 + HD2 LYS 44 OK 18 63 - 29 - ~5339=3, 5336/1.8=3...(12) H GLY 38 - HD3 LYS 61 OK 17 54 - 31 - ~5339=4, ~5344=4...(12) H GLY 38 - HD2 LYS 61 OK 17 54 - 31 - ~5339=4, ~5344=4...(12) HZ2 TRP 82 - HD2 LYS 77 OK 15 95 - 16 - 6408/1.8=4, 6404/3.7=4...(5) QD PHE 97 - HD3 LYS 63 OK 12 50 - 24 - ~7216=6, 6964/1.8=5...(6) H THR 26 - HD2 LYS 77 lone 7 73 - 9 - 80/3.7=2, 6408/1.8=2...(4) H GLY 38 - HD3 LYS 94 poor 6 51 - 12 - 5336/1.8=1, 5336=1 H GLY 38 - HD2 LYS 94 poor 6 51 - 12 - 5336/1.8=1, 5336=1 H GLY 38 - HD3 LYS 45 lone 6 97 - 6 - H GLY 38 - HD2 LYS 45 lone 6 97 - 6 - QD PHE 97 - HD2 LYS 45 lone 5 99 - 5 - QD PHE 97 - HD3 LYS 45 lone 5 99 - 5 - QD PHE 97 - HD3 LYS 44 lone 5 70 - 7 - QD PHE 97 - HD2 LYS 44 lone 5 67 - 7 - HZ2 TRP 82 - HD3 LYS 45 lone 3 94 - 3 - ~6573=1 HZ2 TRP 82 - HD2 LYS 45 lone 3 94 - 3 - ~6573=1 QD PHE 97 - HD3 LYS 61 lone 2 57 - 4 - QD PHE 97 - HD2 LYS 61 lone 2 57 - 4 - H GLY 38 - HD3 LYS 63 lone 2 47 - 5 - QD PHE 97 - HD3 LYS 94 lone 2 54 - 3 - QD PHE 97 - HD2 LYS 94 lone 2 54 - 3 - HZ2 TRP 82 - HD3 LYS 61 lone 2 52 - 3 - HZ2 TRP 82 - HD2 LYS 61 lone 2 52 - 3 - HZ2 TRP 82 - HD3 LYS 44 lone 1 64 - 2 - HZ2 TRP 82 - HD2 LYS 44 lone 1 61 - 2 - H THR 26 - HD3 LYS 45 lone 1 73 - 2 - H THR 26 - HD2 LYS 45 lone 1 73 - 2 - HZ2 TRP 82 - HD3 LYS 63 lone 1 45 - 2 - HZ2 TRP 82 - HD3 LYS 94 lone 1 49 - 2 - HZ2 TRP 82 - HD2 LYS 94 lone 1 49 - 2 - H THR 26 - HD3 LYS 63 lone 1 32 - 3 - 4917/5.9=2 H THR 26 - HD3 LYS 44 lone 1 46 - 2 - H THR 26 - HD2 LYS 44 lone 1 44 - 2 - H THR 26 - HD2 LYS 61 lone 1 37 - 2 - H THR 26 - HD3 LYS 61 lone 1 37 - 2 - H THR 26 - HD3 LYS 94 lone 1 34 - 2 - H THR 26 - HD2 LYS 94 lone 1 34 - 2 - Peak 6408 from cnoeabs.peaks (7.33, 1.87, 28.52 ppm; 5.26 A): 3 out of 5 assignments used, quality = 0.92: QD PHE 97 + HD3 LYS 77 OK 86 100 - 86 - 6404/3.7=23, 4759/4.6=18...(18) H GLY 38 + HD3 LYS 77 OK 34 99 - 34 - 6403/4.6=7, 6404/3.7=6...(12) HZ2 TRP 82 + HD3 LYS 77 OK 16 99 - 15 - 6404/3.7=4, 6403/4.6=3...(6) H THR 26 - HD3 LYS 77 lone 6 60 - 10 - 80/3.7=2, 6404/3.7=2...(4) HD21 ASN 91 - HD3 LYS 77 lone 3 63 - 5 - Peak 6409 from cnoeabs.peaks (7.17, 1.87, 28.52 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.96: QE PHE 97 + HD3 LYS 77 OK 82 100 - 82 - 4761/3.7=20, 2.2/6408=17...(20) HZ PHE 97 + HD3 LYS 77 OK 64 89 - 72 - 4757/3.7=16, 3.8/6408=14...(16) QD TYR 54 + HD3 LYS 77 OK 47 100 - 47 - 4703/3.7=8, 4866/3.0=8...(12) H GLU 65 - HD3 LYS 77 lone 6 76 - 8 - 7124/3.7=1, 3.6/5986=1 Peak 6410 from cnoeabs.peaks (7.17, 1.70, 28.52 ppm; 4.50 A): 3 out of 40 assignments used, quality = 0.97: QE PHE 97 + HD2 LYS 77 OK 83 100 - 83 - 4761/3.7=19, 6409/1.8=16...(19) HZ PHE 97 + HD2 LYS 77 OK 64 89 - 72 - 4757/3.7=16, 6409/1.8=12...(14) QD TYR 54 + HD2 LYS 77 OK 49 100 - 49 - 6409/1.8=9, 4703/3.7=8...(11) QD TYR 54 - HD3 LYS 63 OK 40 51 - 78 - ~7210=24, 7216/1.8=14...(19) QD TYR 54 - HD3 LYS 61 OK 22 59 - 37 - 4704/3.9=5, 4867=4...(16) QD TYR 54 - HD2 LYS 61 OK 22 59 - 37 - 4704/3.9=5, 4867=4...(16) QE PHE 97 - HD3 LYS 63 OK 21 52 - 40 - 7216/1.8=7, 4766=5...(16) QD TYR 54 - HD3 LYS 94 OK 16 55 - 28 - 4704/3.4=5, 4867=3...(14) QD TYR 54 - HD2 LYS 94 OK 16 55 - 28 - 4704/3.4=5, 4867=3...(14) HZ PHE 97 - HD3 LYS 63 OK 14 41 - 35 - 7216/1.8=5, ~7216=5...(12) H GLU 65 - HD3 LYS 63 OK 11 33 - 34 - 6004/3.9=8, 5973/3.9=6...(7) QD TYR 54 - HD3 LYS 44 poor 10 71 - 14 - 4867=2, 4866/3.0=2...(7) QD TYR 54 - HD2 LYS 44 poor 9 68 - 14 - 4867=2, 4866/3.0=2...(7) QD TYR 54 - HD2 LYS 45 lone 7 100 - 7 - QD TYR 54 - HD3 LYS 45 lone 7 100 - 7 - QE PHE 97 - HD3 LYS 45 lone 6 100 - 6 - QE PHE 97 - HD2 LYS 45 lone 6 100 - 6 - H GLU 65 - HD2 LYS 77 lone 6 76 - 7 - 6409/1.8=1 QE PHE 97 - HD3 LYS 44 lone 5 72 - 7 - QE PHE 97 - HD2 LYS 44 lone 5 69 - 7 - HZ PHE 97 - HD3 LYS 45 lone 5 89 - 5 - HZ PHE 97 - HD2 LYS 45 lone 5 89 - 5 - HZ PHE 97 - HD3 LYS 44 lone 3 58 - 5 - H GLU 65 - HD2 LYS 94 lone 3 36 - 9 - 6004/3.4=3, 6002/2.9=2 H GLU 65 - HD3 LYS 94 lone 3 36 - 9 - 6004/3.4=3, 6002/2.9=2 HZ PHE 97 - HD2 LYS 44 lone 3 55 - 5 - QE PHE 97 - HD2 LYS 61 lone 3 60 - 4 - QE PHE 97 - HD3 LYS 61 lone 3 60 - 4 - H GLU 65 - HD3 LYS 45 lone 2 76 - 3 - H GLU 65 - HD2 LYS 45 lone 2 76 - 3 - QE PHE 97 - HD2 LYS 94 lone 2 56 - 4 - QE PHE 97 - HD3 LYS 94 lone 2 56 - 4 - HZ PHE 97 - HD3 LYS 61 lone 2 47 - 4 - HZ PHE 97 - HD2 LYS 61 lone 2 47 - 4 - H GLU 65 - HD3 LYS 61 lone 2 38 - 4 - H GLU 65 - HD2 LYS 61 lone 2 38 - 4 - HZ PHE 97 - HD2 LYS 94 lone 2 44 - 3 - HZ PHE 97 - HD3 LYS 94 lone 2 44 - 3 - H GLU 65 - HD3 LYS 44 lone 1 48 - 2 - H GLU 65 - HD2 LYS 44 lone 1 45 - 2 - Peak 6411 from cnoeabs.peaks (7.17, 1.57, 24.86 ppm; 3.67 A): 6 out of 12 assignments used, quality = 1.00: QE PHE 97 + HG2 LYS 77 OK 86 100 - 86 - 4761/2.9=16, 4762/2.9=11...(32) QE PHE 97 + HG3 LYS 77 OK 86 100 - 86 - 4761/2.9=16, 2.2/4760=11...(32) HZ PHE 97 + HG2 LYS 77 OK 70 89 - 79 - 4757/2.9=14, 4771=10...(25) HZ PHE 97 + HG3 LYS 77 OK 70 89 - 79 - 4757/2.9=14, 4771=10...(25) QD TYR 54 + HG2 LYS 77 OK 50 100 - 50 - 4703/2.9=7, 2.5/5838=7...(17) QD TYR 54 + HG3 LYS 77 OK 50 100 - 50 - 4703/2.9=7, 2.5/5838=7...(17) QD TYR 54 - HG3 LYS 44 lone 8 87 - 9 - 4866=1, 2.5/5838=1, 2.5/5843=1 H GLU 65 - HG2 LYS 77 lone 5 76 - 6 - H GLU 65 - HG3 LYS 77 lone 5 76 - 6 - QE PHE 97 - HG3 LYS 44 lone 3 88 - 4 - HZ PHE 97 - HG3 LYS 44 lone 2 73 - 3 - H GLU 65 - HG3 LYS 44 lone 1 60 - 2 - Peak 6412 from cnoeabs.peaks (7.16, 2.11, 32.15 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.97: QE PHE 97 + HB3 LYS 77 OK 88 100 - 88 - 4761=25, 2.2/4757=19...(28) HZ PHE 97 + HB3 LYS 77 OK 78 96 - 81 - 4757=25, 2.2/4761=17...(22) QD TYR 54 - HB3 LYS 77 OK 36 97 - 38 - 4703/1.8=8, 4866/2.9=5...(11) H GLU 65 - HB3 LYS 77 lone 4 87 - 5 - 7124/1.8=1 HH2 TRP 82 - HB3 LYS 77 lone 4 63 - 6 - 2.5/6404=2, ~6403=1 Peak 6414 from cnoeabs.peaks (1.43, 3.79, 58.58 ppm; 4.76 A): 4 out of 12 assignments used, quality = 0.94: HG12 ILE 80 + HA LYS 77 OK 61 68 - 90 - 2.1/6420=35, 1.8/6419=27...(15) QB ALA 78 + HA LYS 77 OK 59 63 - 94 - 3343/3.6=24, ~1118=23...(22) HG2 LYS 63 + HA LYS 77 OK 39 99 - 39 - ~7101=6, 2.9/3257=6...(14) HG3 LYS 63 + HA LYS 77 OK 39 99 - 39 - ~7101=6, 2.9/3257=6...(14) HG2 LYS 61 - HA LYS 77 OK 12 99 - 12 - 6413/3.0=2, ~6413=2...(4) HG3 LYS 61 - HA LYS 77 OK 12 100 - 12 - 6413/3.0=2, ~6413=2...(4) HG3 LYS 45 - HA LYS 77 poor 9 73 - 12 - 6413/3.0=3, 2.9/4470=2...(5) HD3 LYS 86 - HA LYS 77 lone 7 100 - 7 - 6677/1192=2, 6677/4469=1 HG13 ILE 51 - HA LYS 77 lone 6 99 - 6 - ~5742=1, ~4898=1 HG2 LYS 41 - HA LYS 77 lone 5 60 - 9 - 6413/3.0=2, 950/3.6=1...(4) HG3 LYS 94 - HA LYS 77 lone 5 92 - 5 - QG2 THR 67 - HA LYS 77 lone 3 68 - 4 - Peak 6418 from cnoeabs.peaks (0.84, 3.79, 58.58 ppm; 4.24 A): 3 out of 8 assignments used, quality = 0.95: QG2 ILE 80 + HA LYS 77 OK 85 99 - 86 - 3.0/6420=27, 2.1/4471=25...(22) QG2 ILE 16 + HA LYS 77 OK 40 99 - 41 - 4589/4.8=15, 6416/3.0=6...(12) QG2 ILE 37 + HA LYS 77 OK 39 97 - 41 - 6448/3.6=7, 3.3/6419=5...(13) QG2 VAL 30 - HA LYS 77 OK 21 98 - 21 - 5108/6528=3, 6416/3.0=3...(7) QG1 VAL 30 - HA LYS 77 OK 20 100 - 20 - 6416/3.0=3, 3.9/4472=2...(7) QG2 ILE 40 - HA LYS 77 OK 12 78 - 16 - 6384/4.8=2, 3.3/2040=2...(6) QD2 LEU 62 - HA LYS 77 OK 10 100 - 10 - 6416/3.0=1, 6448/3.6=1 QG2 VAL 25 - HA LYS 77 poor 9 83 - 11 - 4914/6420=1, 4.3/6403=1 Peak 6419 from cnoeabs.peaks (0.37, 3.79, 58.58 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.93: HG13 ILE 80 + HA LYS 77 OK 91 100 - 91 - 2.1/6420=35, 2.9/4471=27...(18) QD1 ILE 37 + HA LYS 77 OK 29 81 - 36 - 3.3/6418=6, 3.2/3257=5...(12) Peak 6420 from cnoeabs.peaks (-0.17, 3.79, 58.58 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.86: QD1 ILE 80 + HA LYS 77 OK 80 100 - 81 - 6528=33, 3.2/4471=14...(19) QD2 LEU 21 + HA LYS 77 OK 32 96 - 33 - 6421/3.0=5, 6386/4.8=5...(12) Peak 6421 from cnoeabs.peaks (-0.18, 2.11, 32.15 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 80 + HB3 LYS 77 OK 94 100 - 94 - 6420/3.0=34, 6525=28...(21) QD2 LEU 21 + HB3 LYS 77 OK 57 99 - 57 - 6420/3.0=13, 6426/3.7=9...(14) Peak 6422 from cnoeabs.peaks (-0.17, 1.57, 24.86 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.96: QD1 ILE 80 + HG2 LYS 77 OK 75 98 - 76 - 6420/3.8=25, 6421/2.9=15...(16) QD1 ILE 80 + HG3 LYS 77 OK 75 98 - 76 - 6420/3.8=25, 6421/2.9=15...(16) QD2 LEU 21 + HG2 LYS 77 OK 35 89 - 39 - 6420/3.8=10, 6421/2.9=9...(10) QD2 LEU 21 - HG3 LYS 77 OK 35 89 - 39 - 6420/3.8=10, 6421/2.9=9...(10) QD1 ILE 80 - HG3 LYS 44 lone 5 84 - 6 - QD2 LEU 21 - HG3 LYS 44 lone 2 73 - 2 - Peak 6424 from cnoeabs.peaks (-0.45, 1.70, 28.52 ppm; 5.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6426 from cnoeabs.peaks (-0.19, 1.87, 28.52 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.79: QD1 ILE 80 + HD3 LYS 77 OK 68 92 - 74 - 6528/4.6=22, 6421/3.7=15...(15) QD2 LEU 21 + HD3 LYS 77 OK 34 99 - 35 - 6421/3.7=9, 6420/4.6=7...(8) Peak 6428 from cnoeabs.peaks (7.19, 4.16, 54.45 ppm; 5.23 A): 5 out of 5 assignments used, quality = 0.91: H LYS 77 + HA ALA 78 OK 84 96 - 88 - 1118/3.0=46, 6431/2.1=28...(10) QD TYR 54 + HA ALA 78 OK 18 95 - 20 - 6431/2.1=5, 1186/3.6=3...(7) HD22 ASN 14 + HA ALA 78 OK 18 81 - 22 - 349/3.0=6, 6431/2.1=6...(5) HD22 ASN 43 + HA ALA 78 OK 12 96 - 12 - 6431/2.1=4, 349/3.0=3 QE PHE 97 + HA ALA 78 OK 11 83 - 13 - 6431/2.1=3, 4762/6437=3...(5) Peak 6429 from cnoeabs.peaks (7.57, 1.40, 17.56 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.96: H ILE 80 + QB ALA 78 OK 87 100 - 87 - 1191/2.9=38, 362/3.7=34...(16) QD PHE 83 + QB ALA 78 OK 69 97 - 72 - 1120/3.7=14, 4737=14...(17) HE21 GLN 48 - QB ALA 78 OK 27 95 - 28 - 1.7/6432=5, 4473/2.1=5...(6) Peak 6430 from cnoeabs.peaks (7.44, 1.40, 17.56 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.95: H ALA 76 + QB ALA 78 OK 95 100 - 95 - 1175/2.9=41, 3.6/4461=31...(18) QD PHE 34 - QB ALA 78 OK 31 97 - 31 - 6463/4.7=14, 1181/2.9=5...(6) H THR 46 - QB ALA 78 OK 27 90 - 29 - 202=8, 1181/2.9=5...(9) Peak 6431 from cnoeabs.peaks (7.19, 1.40, 17.56 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.91: H LYS 77 + QB ALA 78 OK 85 96 - 89 - 1118/2.9=41, 6413=20...(19) HD22 ASN 14 + QB ALA 78 OK 18 81 - 22 - 349/2.9=5, 1186/3.7=4...(6) QD TYR 54 + QB ALA 78 OK 17 95 - 18 - 6428/2.1=4, 349/2.9=3...(5) HD22 ASN 43 + QB ALA 78 OK 11 96 - 11 - 349/2.9=3, 6428/2.1=2 QE PHE 97 - QB ALA 78 poor 10 83 - 12 - 4761/6445=3, 4762/6444=2 Peak 6432 from cnoeabs.peaks (7.00, 1.40, 17.56 ppm; 5.18 A): 5 out of 8 assignments used, quality = 0.71: QE PHE 83 + QB ALA 78 OK 46 89 - 53 - 2.2/6429=15, ~4473=9...(13) HE22 GLN 48 + QB ALA 78 OK 18 78 - 22 - 1.7/6429=6, ~4473=4...(5) HD21 ASN 13 + QB ALA 78 OK 15 87 - 17 - 4514/2.1=5, ~4513=4...(4) HZ PHE 88 + QB ALA 78 OK 14 81 - 17 - 5307/6456=3, 5306/6454=3...(5) HE22 GLN 19 + QB ALA 78 OK 11 99 - 11 - 3.5/6444=2, ~4474=2...(4) QE PHE 17 - QB ALA 78 lone 9 95 - 9 - 4.4/6446=2 HD21 ASN 24 - QB ALA 78 lone 7 99 - 7 - 3.5/6446=2 HD21 ASN 52 - QB ALA 78 lone 4 92 - 4 - Peak 6433 from cnoeabs.peaks (8.49, 1.40, 17.56 ppm; 4.65 A): 3 out of 6 assignments used, quality = 0.94: H TRP 82 + QB ALA 78 OK 80 100 - 80 - 1203/2.1=27, 6576=21...(16) H PHE 83 + QB ALA 78 OK 57 95 - 61 - 4.6/6576=11, 4.3/6569=11...(15) H ASP 72 + QB ALA 78 OK 24 93 - 26 - 4479/2.1=4, 6457/3.7=4...(9) H ALA 98 - QB ALA 78 OK 21 89 - 23 - 4479/2.1=4, 6457/3.7=3...(6) H THR 42 - QB ALA 78 OK 21 83 - 24 - 178=4, 4.6/6454=4...(7) H LEU 21 - QB ALA 78 OK 12 76 - 15 - 6459/4.7=3, 6457/3.7=3...(5) Peak 6434 from cnoeabs.peaks (5.26, 4.16, 54.45 ppm; 5.37 A): 1 out of 2 assignments used, quality = 0.63: HD1 TRP 82 + HA ALA 78 OK 63 100 - 63 - 6435/2.1=34, 5.9/1203=16...(9) HA SER 69 - HA ALA 78 lone 8 83 - 9 - 6435/2.1=5, 5315/6452=1 Peak 6435 from cnoeabs.peaks (5.25, 1.40, 17.56 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.82: HD1 TRP 82 + QB ALA 78 OK 80 99 - 81 - 6434/2.1=34, 6570=22...(14) HA SER 69 + QB ALA 78 OK 11 92 - 12 - 6434/2.1=4, 5316/6454=2 Peak 6436 from cnoeabs.peaks (3.81, 4.16, 54.45 ppm; 5.21 A): 1 out of 7 assignments used, quality = 0.80: HA LYS 77 + HA ALA 78 OK 80 83 - 96 - ~1118=28, ~4311=24...(21) HA ILE 40 - HA ALA 78 poor 10 83 - 12 - 1185/3.6=4, 1192/1190=1 HB THR 55 - HA ALA 78 lone 8 87 - 9 - ~5867=3, 5860=2, 2.1/7195=2 HA SER 89 - HA ALA 78 lone 7 97 - 7 - 1185/3.6=2 HD2 PRO 49 - HA ALA 78 poor 6 60 - 11 - 3.0/6439=2, 2.3/6437=2...(5) HD2 PRO 92 - HA ALA 78 lone 3 87 - 4 - HB3 SER 11 - HA ALA 78 lone 2 76 - 3 - Peak 6437 from cnoeabs.peaks (1.98, 4.16, 54.45 ppm; 4.78 A): 2 out of 11 assignments used, quality = 0.96: HB2 LYS 77 + HA ALA 78 OK 93 100 - 93 - 4310/3.0=39, ~4311=28...(16) HG3 PRO 74 + HA ALA 78 OK 34 100 - 35 - 351/3.0=11, ~352=9...(6) HG2 GLN 19 - HA ALA 78 OK 12 100 - 11 - 6444/2.1=2, 3.5/4474=2...(4) HB3 LYS 45 - HA ALA 78 poor 9 60 - 15 - 6444/2.1=3, ~6444=2...(8) HB2 LYS 45 - HA ALA 78 poor 9 60 - 15 - 6444/2.1=3, ~6444=2...(8) HG2 PRO 49 - HA ALA 78 poor 8 73 - 11 - 2.3/6439=2, 2.3/6436=2...(6) HB VAL 25 - HA ALA 78 lone 7 93 - 7 - 4310/3.0=3, 6444/2.1=1 HB3 GLU 28 - HA ALA 78 lone 5 100 - 5 - 6444/2.1=1 HB2 GLU 65 - HA ALA 78 lone 4 100 - 4 - HB2 GLU 23 - HA ALA 78 lone 3 68 - 5 - 1492/3.6=2 HG3 PRO 73 - HA ALA 78 lone 2 60 - 3 - 351/3.0=1 Peak 6438 from cnoeabs.peaks (1.69, 4.16, 54.45 ppm; 4.79 A): 3 out of 16 assignments used, quality = 0.95: HD2 LYS 77 + HA ALA 78 OK 77 96 - 80 - 4.6/6436=15, 3.0/6439=15...(15) QB ALA 79 + HA ALA 78 OK 70 78 - 89 - 6462/3.0=27, ~4319=24...(16) HD3 LYS 44 + HA ALA 78 OK 33 99 - 34 - 3.0/6439=4, ~6442=3...(12) HD2 LYS 44 - HA ALA 78 OK 33 98 - 34 - 3.0/6439=4, 6442/2.1=3...(12) HD2 LYS 45 - HA ALA 78 OK 16 95 - 17 - 4314/3.0=2, ~4314=2...(8) HD3 LYS 61 - HA ALA 78 OK 16 98 - 16 - 355/3.0=2, ~6442=2...(7) HD2 LYS 61 - HA ALA 78 OK 16 98 - 16 - 355/3.0=2, ~6442=2...(7) HD3 LYS 45 - HA ALA 78 OK 15 97 - 15 - 4314/3.0=2, ~4314=2...(7) HG12 ILE 39 - HA ALA 78 OK 10 100 - 10 - 1983/3.6=6, 355/3.0=1 HB ILE 40 - HA ALA 78 lone 8 99 - 8 - 3.0/6436=2, 953/3.6=1 HG2 ARG 57 - HA ALA 78 lone 8 99 - 8 - ~6442=1, ~6441=1, 6441/2.1=1 HG3 ARG 57 - HA ALA 78 lone 8 97 - 8 - 6441/2.1=1, ~6442=1, ~6441=1 HD3 LYS 63 - HA ALA 78 lone 8 98 - 8 - 355/3.0=1 HD2 LYS 94 - HA ALA 78 lone 7 95 - 7 - HD3 LYS 94 - HA ALA 78 lone 7 95 - 7 - HD3 LYS 35 - HA ALA 78 lone 6 100 - 6 - 6552/4477=2 Peak 6439 from cnoeabs.peaks (1.56, 4.16, 54.45 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.99: HG2 LYS 77 + HA ALA 78 OK 89 99 - 90 - ~4311=17, ~4310=17...(23) HG3 LYS 77 + HA ALA 78 OK 88 98 - 90 - ~4311=17, ~4310=17...(23) HG3 LYS 44 - HA ALA 78 OK 23 99 - 23 - 4312/3.0=4, 3.0/6438=3...(10) HB3 PRO 49 - HA ALA 78 OK 10 100 - 10 - 353/3.0=2, 2.3/6437=1 HD2 LYS 86 - HA ALA 78 lone 5 87 - 5 - 6676/1190=1, 6676/4473=1 HB3 GLU 87 - HA ALA 78 lone 3 100 - 3 - HB3 LYS 94 - HA ALA 78 lone 3 76 - 4 - Peak 6440 from cnoeabs.peaks (1.58, 1.40, 17.56 ppm; 4.15 A): 3 out of 7 assignments used, quality = 0.99: HG3 LYS 77 + QB ALA 78 OK 86 97 - 89 - ~4311=15, ~4310=15...(24) HG2 LYS 77 + QB ALA 78 OK 85 97 - 89 - ~4311=15, ~4310=15...(24) QB ALA 76 + QB ALA 78 OK 58 81 - 72 - 6397/2.9=18, 3.6/6431=15...(10) HG3 LYS 44 - QB ALA 78 OK 19 71 - 27 - 4312/2.9=4, 3.0/6442=3...(12) HB3 PRO 49 - QB ALA 78 lone 8 90 - 9 - 354/2.9=1, 6439/2.1=1 HD2 LYS 63 - QB ALA 78 lone 6 92 - 7 - 1.8/6442=1 HB3 GLU 87 - QB ALA 78 lone 3 83 - 3 - Peak 6441 from cnoeabs.peaks (1.67, 1.40, 17.56 ppm; 4.00 A): 2 out of 18 assignments used, quality = 0.94: QB ALA 79 + QB ALA 78 OK 91 100 - 91 - 4.7=64, 2.9/4319=29...(16) HD2 LYS 44 + QB ALA 78 OK 26 98 - 26 - 3.8/6443=2, 3.8/6443=2...(14) HD3 LYS 44 - QB ALA 78 OK 25 97 - 26 - 3.8/6443=2, 3.8/6443=2...(14) HD3 LYS 61 - QB ALA 78 OK 11 98 - 12 - 953/3.7=1 HD2 LYS 61 - QB ALA 78 OK 11 98 - 12 - 953/3.7=1 HD3 LYS 45 - QB ALA 78 poor 8 60 - 13 - 3.6/6444=2, 3.6/6444=2...(5) HB ILE 40 - QB ALA 78 lone 8 97 - 8 - 4.5/770=2, 953/3.7=1, ~6436=1 HG3 ARG 57 - QB ALA 78 lone 8 99 - 8 - 3.9/4461=3 HG2 ARG 57 - QB ALA 78 lone 8 97 - 8 - 3.9/4461=3 HG12 ILE 39 - QB ALA 78 lone 7 83 - 9 - 1983/3.7=3, 4.6/4319=2 HG3 GLN 19 - QB ALA 78 lone 7 71 - 9 - 1.8/6444=2, 3.5/6432=2...(4) HB3 LYS 61 - QB ALA 78 lone 6 93 - 7 - HG12 ILE 27 - QB ALA 78 lone 6 93 - 7 - 1.8/6454=2, 953/3.7=1 HD3 LYS 63 - QB ALA 78 lone 6 98 - 6 - HD2 LYS 94 - QB ALA 78 lone 5 100 - 5 - HD3 LYS 94 - QB ALA 78 lone 5 100 - 5 - HB2 MET 50 - QB ALA 78 lone 4 78 - 6 - HD3 LYS 35 - QB ALA 78 lone 3 95 - 3 - Peak 6442 from cnoeabs.peaks (1.67, 1.40, 17.56 ppm; 4.00 A): 2 out of 18 assignments used, quality = 0.94: QB ALA 79 + QB ALA 78 OK 91 100 - 91 - 4.7=64, 2.9/4319=29...(16) HD2 LYS 44 + QB ALA 78 OK 26 98 - 26 - 3.8/6443=2, 3.8/6443=2...(14) HD3 LYS 44 - QB ALA 78 OK 25 97 - 26 - 3.8/6443=2, 3.8/6443=2...(14) HD3 LYS 61 - QB ALA 78 OK 11 98 - 12 - 953/3.7=1 HD2 LYS 61 - QB ALA 78 OK 11 98 - 12 - 953/3.7=1 HD3 LYS 45 - QB ALA 78 poor 8 60 - 13 - 3.6/6444=2, 3.6/6444=2...(5) HB ILE 40 - QB ALA 78 lone 8 97 - 8 - 4.5/770=2, 953/3.7=1, ~6436=1 HG3 ARG 57 - QB ALA 78 lone 8 99 - 8 - 3.9/4461=3 HG2 ARG 57 - QB ALA 78 lone 8 97 - 8 - 3.9/4461=3 HG12 ILE 39 - QB ALA 78 lone 7 83 - 9 - 1983/3.7=3, 4.6/4319=2 HG3 GLN 19 - QB ALA 78 lone 7 71 - 9 - 1.8/6444=2, 3.5/6432=2...(4) HB3 LYS 61 - QB ALA 78 lone 6 93 - 7 - HG12 ILE 27 - QB ALA 78 lone 6 93 - 7 - 1.8/6454=2, 953/3.7=1 HD3 LYS 63 - QB ALA 78 lone 6 98 - 6 - HD2 LYS 94 - QB ALA 78 lone 5 100 - 5 - HD3 LYS 94 - QB ALA 78 lone 5 100 - 5 - HB2 MET 50 - QB ALA 78 lone 4 78 - 6 - HD3 LYS 35 - QB ALA 78 lone 3 95 - 3 - Peak 6443 from cnoeabs.peaks (1.86, 1.40, 17.56 ppm; 4.20 A): 3 out of 11 assignments used, quality = 0.95: HD3 LYS 77 + QB ALA 78 OK 73 97 - 75 - 3.7/6445=12, 3.7/6444=11...(19) HB ILE 37 + QB ALA 78 OK 72 100 - 73 - 3.2/6456=26, 2.1/7159=22...(10) HB2 PRO 74 + QB ALA 78 OK 40 83 - 49 - ~4457=18, ~1183=9...(8) HB2 LYS 44 - QB ALA 78 OK 28 100 - 28 - 3.0/4461=4, 3.8/6442=3...(13) HB3 LYS 44 - QB ALA 78 OK 28 99 - 28 - 3.0/4461=4, 3.8/6441=3...(13) HB ILE 16 - QB ALA 78 OK 24 100 - 24 - 6472/4.7=7, 4642/3.7=5...(6) HB2 LYS 61 - QB ALA 78 lone 7 85 - 8 - 3.9/6441=1, 3.9/6441=1 HB ILE 27 - QB ALA 78 lone 6 98 - 6 - 2.8/6454=2, 6472/4.7=2 HB2 LYS 63 - QB ALA 78 lone 6 73 - 8 - 356/2.9=2, 7101/6444=1 HB2 GLU 87 - QB ALA 78 lone 2 65 - 4 - HB2 PRO 92 - QB ALA 78 lone 2 97 - 2 - Peak 6444 from cnoeabs.peaks (1.97, 1.40, 17.56 ppm; 4.60 A): 2 out of 11 assignments used, quality = 0.96: HB2 LYS 77 + QB ALA 78 OK 93 100 - 93 - 4310/2.9=38, ~4311=26...(21) HG3 PRO 74 + QB ALA 78 OK 37 97 - 39 - 351/2.9=10, ~352=8...(8) HB3 LYS 45 - QB ALA 78 OK 14 73 - 19 - 4.0/202=4, 4.0/791=3...(9) HB2 LYS 45 - QB ALA 78 OK 14 73 - 19 - 4.0/202=4, 4.0/791=3...(9) HG2 GLN 19 - QB ALA 78 OK 12 100 - 12 - 3.5/6432=2, 6437/2.1=2...(5) HB VAL 25 - QB ALA 78 lone 6 85 - 7 - 4310/2.9=2, 6437/2.1=1 HG2 PRO 49 - QB ALA 78 poor 6 60 - 10 - 6437/2.1=2, 2.3/6440=1...(5) HB3 GLU 28 - QB ALA 78 lone 5 100 - 5 - HB2 GLU 65 - QB ALA 78 lone 4 100 - 4 - HG3 PRO 73 - QB ALA 78 lone 2 73 - 3 - 351/2.9=1 HB VAL 95 - QB ALA 78 lone 2 63 - 3 - Peak 6445 from cnoeabs.peaks (2.09, 1.40, 17.56 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.95: HB3 LYS 77 + QB ALA 78 OK 92 96 - 96 - 4311/2.9=41, ~4310=32...(21) HG2 PRO 74 + QB ALA 78 OK 41 97 - 43 - 352/2.9=13, ~351=9...(8) HB2 GLN 19 - QB ALA 78 OK 11 87 - 12 - 3.0/6444=2, 4.6/6432=2...(5) HB2 LYS 86 - QB ALA 78 lone 5 68 - 7 - 6672/6429=2, 6672/6429=1 HB2 GLU 28 - QB ALA 78 lone 4 87 - 5 - 1.8/6444=1 HB2 GLN 36 - QB ALA 78 lone 3 90 - 4 - Peak 6446 from cnoeabs.peaks (2.70, 1.40, 17.56 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.68: HB2 ASP 81 + QB ALA 78 OK 68 83 - 82 - ~4477=32, ~4478=27...(7) HB3 ASN 13 - QB ALA 78 lone 8 89 - 9 - 3.5/6432=3, 4475/2.1=3 HB3 ASP 72 - QB ALA 78 poor 8 81 - 10 - 4.1/6433=3, 6303/6354=2 HB3 PHE 17 - QB ALA 78 lone 6 96 - 7 - 4.4/6432=2, 4475/2.1=1 HB3 ASN 24 - QB ALA 78 lone 4 73 - 5 - 3.5/6432=2, ~4871=1 Peak 6447 from cnoeabs.peaks (3.06, 1.40, 17.56 ppm; 4.86 A): 4 out of 6 assignments used, quality = 0.91: HE2 LYS 77 + QB ALA 78 OK 62 97 - 64 - 4.9/6445=13, 4.9/6444=12...(12) HB2 SER 75 + QB ALA 78 OK 53 73 - 73 - 3.0/4461=32, ~4459=21...(7) HE3 LYS 77 + QB ALA 78 OK 37 57 - 64 - 4.9/6445=13, 4.9/6444=12...(12) HE2 LYS 41 + QB ALA 78 OK 19 97 - 19 - 4.8/6454=4, 1.8/2130=3...(7) HE2 LYS 61 - QB ALA 78 poor 8 60 - 13 - 2.9/6441=2, 2.9/6441=2...(4) HB2 ASP 56 - QB ALA 78 lone 4 98 - 4 - Peak 6451 from cnoeabs.peaks (0.85, 4.16, 54.45 ppm; 4.71 A): 2 out of 10 assignments used, quality = 0.93: QG2 ILE 37 + HA ALA 78 OK 81 100 - 81 - 7159/2.1=22, 3.3/6452=20...(16) QG2 ILE 80 + HA ALA 78 OK 66 100 - 66 - 4.4/1197=18, 4.0/1190=17...(15) QG1 VAL 30 - HA ALA 78 OK 27 99 - 27 - 6455/2.1=4, 6448/3.0=3...(8) QG2 VAL 30 - HA ALA 78 OK 27 100 - 27 - 6455/2.1=4, 5049=4...(7) QG2 ILE 16 - HA ALA 78 OK 25 89 - 29 - 5318/3.6=7, 6455/2.1=5...(9) QD2 LEU 62 - HA ALA 78 OK 14 98 - 13 - 5956/2.1=3, 6448/3.0=2...(4) QD1 ILE 51 - HA ALA 78 lone 6 71 - 8 - 6448/3.0=1, 6455/2.1=1 QG1 VAL 18 - HA ALA 78 lone 6 76 - 8 - 6480/3.6=3, 6455/2.1=1 QG2 VAL 25 - HA ALA 78 lone 5 60 - 9 - ~4310=2, 2.1/6437=1 QG2 THR 42 - HA ALA 78 lone 5 63 - 7 - 4.0/4479=1, 6455/2.1=1 Peak 6452 from cnoeabs.peaks (0.34, 4.16, 54.45 ppm; 4.74 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 37 + HA ALA 78 OK 80 99 - 81 - 6456/2.1=34, 5323/3.6=21...(16) HG13 ILE 80 + HA ALA 78 OK 43 76 - 57 - 4.8/1190=15, 6456/2.1=14...(12) Peak 6454 from cnoeabs.peaks (1.18, 1.40, 17.56 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.79: HG13 ILE 37 + QB ALA 78 OK 75 100 - 75 - 2.1/6456=31, 3.2/7159=18...(18) HB3 LYS 41 + QB ALA 78 OK 16 87 - 18 - 6479/3.7=3, 3.0/2050=3...(7) HG13 ILE 27 - QB ALA 78 lone 6 89 - 7 - 6474/4.7=2, 6479/3.7=1 HB2 LEU 21 - QB ALA 78 lone 6 81 - 7 - 6474/4.7=3, 4.0/6433=1 HB3 LEU 21 - QB ALA 78 lone 5 76 - 7 - 6474/4.7=3, 4.0/6433=1 QG2 THR 15 - QB ALA 78 lone 3 81 - 3 - Peak 6455 from cnoeabs.peaks (0.85, 1.40, 17.56 ppm; 3.29 A): 5 out of 9 assignments used, quality = 0.87: QG2 ILE 37 + QB ALA 78 OK 67 100 - 68 - 7159=22, 3.3/7158=17...(14) QG2 ILE 80 + QB ALA 78 OK 34 99 - 35 - 3.2/6456=7, 4.0/6429=5...(10) QG2 ILE 16 + QB ALA 78 OK 18 78 - 23 - 7159=4, 5318/3.7=4...(6) QG2 VAL 30 + QB ALA 78 OK 16 100 - 16 - 5956=3, 6448/2.9=2...(7) QG1 VAL 30 + QB ALA 78 OK 15 97 - 16 - 2.1/5956=2, 6451/2.1=2...(8) QD2 LEU 62 - QB ALA 78 lone 10 93 - 10 - 5956=3, 2.1/5958=1 QD1 ILE 51 - QB ALA 78 lone 5 83 - 5 - QG2 THR 42 - QB ALA 78 lone 4 76 - 5 - 4.0/178=2 QG1 VAL 18 - QB ALA 78 lone 4 87 - 5 - 6480/3.7=1 Peak 6456 from cnoeabs.peaks (0.35, 1.40, 17.56 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 37 + QB ALA 78 OK 73 100 - 74 - 7158=31, 2.1/6454=16...(19) HG13 ILE 80 + QB ALA 78 OK 30 87 - 35 - 6481/3.7=6, 6452/2.1=6...(11) Peak 6459 from cnoeabs.peaks (8.50, 1.67, 18.80 ppm; 4.51 A): 6 out of 6 assignments used, quality = 0.92: H TRP 82 + QB ALA 79 OK 60 100 - 60 - 1202/2.1=17, 1201/3.7=14...(13) H PHE 83 + QB ALA 79 OK 56 87 - 65 - 1208/2.1=15, 6602=14...(14) H LEU 21 + QB ALA 79 OK 25 63 - 39 - 4.7/6493=9, 4.7/6495=9...(10) H ALA 98 + QB ALA 79 OK 19 78 - 25 - 1194/3.7=4, 6457/2.9=3...(9) H ASP 72 + QB ALA 79 OK 18 85 - 20 - 4481/2.1=4, 6457/2.9=4...(7) H THR 42 + QB ALA 79 OK 12 71 - 17 - 6457/2.9=3, 4.6/6474=2...(7) Peak 6461 from cnoeabs.peaks (7.98, 1.67, 18.80 ppm; 4.66 A): 5 out of 7 assignments used, quality = 0.91: H ASP 81 + QB ALA 79 OK 50 81 - 62 - 4.6/364=21, 1196/2.9=16...(12) H PHE 34 + QB ALA 79 OK 43 98 - 44 - 4.5/6463=12, 5224/6494=9...(9) H ASP 84 + QB ALA 79 OK 33 68 - 49 - 4.6/4321=11, 1121/3.7=10...(10) H VAL 30 + QB ALA 79 OK 31 99 - 31 - 7133/2.9=5, 1121/3.7=4...(7) H GLY 22 + QB ALA 79 OK 29 85 - 34 - 7133/2.9=5, 4.6/6474=4...(11) H LYS 63 - QB ALA 79 lone 8 85 - 9 - 7133/2.9=1 HE21 GLN 19 - QB ALA 79 lone 6 63 - 9 - 1121/3.7=2, 4480/2.1=1...(4) Peak 6462 from cnoeabs.peaks (7.87, 1.67, 18.80 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.85: H ALA 78 + QB ALA 79 OK 85 100 - 85 - 359/2.9=43, 3343/4.7=29...(12) Peak 6463 from cnoeabs.peaks (7.43, 1.67, 18.80 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.84: H ALA 76 + QB ALA 79 OK 65 97 - 67 - 3.0/4466=28, 6468/2.9=13...(14) QD PHE 34 + QB ALA 79 OK 55 100 - 55 - 6466/2.1=8, 4681=8...(20) H THR 46 - QB ALA 79 lone 9 97 - 10 - 6430/4.7=2, 6466/2.1=2 Peak 6464 from cnoeabs.peaks (6.97, 1.67, 18.80 ppm; 3.56 A): 6 out of 8 assignments used, quality = 0.86: QE PHE 83 + QB ALA 79 OK 51 92 - 56 - 2.2/4321=13, ~4799=9...(16) QE PHE 70 + QB ALA 79 OK 42 100 - 42 - 2.2/6465=19, 6392/4466=5...(10) HZ PHE 83 + QB ALA 79 OK 23 81 - 29 - 3.8/4321=8, ~6467=7...(8) HZ PHE 88 + QB ALA 79 OK 16 97 - 16 - 6467/2.1=2, 4853/6495=1...(6) HE22 GLN 48 + QB ALA 79 OK 15 97 - 15 - 1.7/4321=4, ~1120=2...(4) QE PHE 88 + QB ALA 79 OK 10 83 - 12 - ~6467=2, 4693/6492=1 HD21 ASN 52 - QB ALA 79 lone 3 89 - 4 - HD21 ASN 24 - QB ALA 79 lone 1 68 - 2 - Peak 6465 from cnoeabs.peaks (6.85, 1.67, 18.80 ppm; 3.57 A): 0 out of 3 assignments used, low quality = 0.24: HZ PHE 70 - QB ALA 79 OK 24 71 - 34 - 2.2/6464=9, 7043=6...(9) QE TYR 54 - QB ALA 79 lone 9 100 - 9 - 4708/6475=1, 4632/6493=1 H VAL 25 - QB ALA 79 lone 9 99 - 8 - 4632/6493=2, 6159/6494=1 Peak 6466 from cnoeabs.peaks (7.42, 4.27, 55.09 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.89: H ALA 76 + HA ALA 79 OK 68 85 - 81 - ~4466=28, 6463/2.1=23...(12) QD PHE 34 + HA ALA 79 OK 61 100 - 61 - 6463/2.1=20, 2.4/6471=9...(15) H THR 46 + HA ALA 79 OK 11 100 - 11 - 6463/2.1=3 Peak 6467 from cnoeabs.peaks (6.99, 4.27, 55.09 ppm; 4.36 A): 4 out of 9 assignments used, quality = 0.84: QE PHE 83 + HA ALA 79 OK 65 99 - 67 - 2.2/4799=22, ~4321=10...(17) QE PHE 70 + HA ALA 79 OK 31 73 - 43 - ~6465=16, ~4775=7...(10) HE22 GLN 48 + HA ALA 79 OK 19 95 - 19 - 1.7/4320=4, ~4321=4...(7) HZ PHE 88 + HA ALA 79 OK 18 96 - 18 - 6464/2.1=2, 5307/6487=2...(7) HE22 GLN 19 - HA ALA 79 lone 6 89 - 6 - 1.7/4480=2 HD21 ASN 52 - HA ALA 79 lone 5 99 - 5 - HD21 ASN 13 - HA ALA 79 lone 3 65 - 5 - 3.5/4482=2 HD21 ASN 24 - HA ALA 79 lone 3 100 - 3 - QE PHE 17 - HA ALA 79 lone 3 78 - 3 - Peak 6470 from cnoeabs.peaks (3.43, 1.67, 18.80 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.94: HA ILE 80 + QB ALA 79 OK 69 90 - 76 - 3.0/364=25, ~362=13...(20) HB2 PHE 83 + QB ALA 79 OK 63 100 - 63 - 2.4/4321=14, ~4799=12...(15) HB2 PHE 34 + QB ALA 79 OK 45 89 - 51 - 2.4/6463=16, ~6466=7...(13) HB2 PHE 70 - QB ALA 79 OK 25 100 - 25 - 5.8/6465=9, 4.4/6464=6...(5) HB2 SER 89 - QB ALA 79 lone 5 89 - 5 - ~1185=1 Peak 6471 from cnoeabs.peaks (3.42, 4.27, 55.09 ppm; 4.78 A): 3 out of 5 assignments used, quality = 0.97: HA ILE 80 + HA ALA 79 OK 83 99 - 83 - 3.0/4320=25, ~364=19...(17) HB2 PHE 83 + HA ALA 79 OK 70 99 - 71 - 2.4/4799=23, 4.0/1208=14...(13) HB2 PHE 34 + HA ALA 79 OK 48 99 - 49 - 2.4/6466=14, ~6463=13...(10) HB2 PHE 70 - HA ALA 79 OK 16 93 - 17 - 4.4/6467=6, 6470/2.1=5...(4) HB2 SER 89 - HA ALA 79 lone 4 65 - 5 - ~1185=1, ~1188=1 Peak 6472 from cnoeabs.peaks (1.85, 1.67, 18.80 ppm; 4.11 A): 2 out of 11 assignments used, quality = 0.98: HB ILE 37 + QB ALA 79 OK 91 100 - 91 - 3.2/6491=20, 2.1/6490=14...(27) HB ILE 16 + QB ALA 79 OK 74 100 - 75 - 3.2/6493=26, ~6488=14...(19) HB ILE 27 - QB ALA 79 OK 17 95 - 18 - 3.2/6475=4, 2.8/6474=3...(6) HD3 LYS 77 - QB ALA 79 OK 13 93 - 14 - 6443/4.7=5, 356/6462=3 HB2 LYS 44 - QB ALA 79 lone 8 99 - 8 - 6443/4.7=2 HB3 LYS 44 - QB ALA 79 lone 8 97 - 8 - 6443/4.7=2 HB2 LYS 61 - QB ALA 79 lone 5 92 - 6 - HB2 PRO 74 - QB ALA 79 lone 5 90 - 6 - 6443/4.7=3 HB2 LYS 63 - QB ALA 79 lone 3 63 - 5 - HB3 GLU 65 - QB ALA 79 lone 3 60 - 5 - 4721/6492=2, 4.4/5885=1 HB2 PRO 92 - QB ALA 79 lone 2 93 - 2 - Peak 6473 from cnoeabs.peaks (1.38, 1.67, 18.80 ppm; 3.58 A): 3 out of 6 assignments used, quality = 0.92: QB ALA 78 + QB ALA 79 OK 76 93 - 82 - 4.7=45, 361/2.9=22...(14) HG12 ILE 37 + QB ALA 79 OK 62 73 - 85 - 2.1/6491=20, 1.8/5271=15...(21) HG2 LYS 41 + QB ALA 79 OK 13 95 - 14 - 361/2.9=3, 6476/2.1=2...(5) HB3 LEU 53 - QB ALA 79 lone 7 100 - 7 - 361/2.9=1, 6476/2.1=1 HG3 LYS 45 - QB ALA 79 lone 4 87 - 5 - HG12 ILE 93 - QB ALA 79 lone 3 68 - 5 - 2.1/6854=2 Peak 6474 from cnoeabs.peaks (1.18, 1.67, 18.80 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.95: HG13 ILE 37 + QB ALA 79 OK 95 100 - 95 - 2.1/6491=26, 5283/2.1=25...(25) HB2 LEU 21 - QB ALA 79 OK 33 85 - 39 - 3.1/6493=12, 3.1/6495=10...(10) HB3 LEU 21 - QB ALA 79 OK 31 81 - 39 - 3.1/6493=12, 3.1/6495=10...(9) HG13 ILE 27 - QB ALA 79 OK 19 92 - 21 - 2.1/6475=5, 2.8/6472=2...(9) HB3 LYS 41 - QB ALA 79 OK 18 83 - 22 - 6478/2.1=4, 6479/2.9=4...(8) QG2 THR 15 - QB ALA 79 lone 8 85 - 9 - 6136/6494=3, 4571/4466=2 Peak 6475 from cnoeabs.peaks (0.97, 1.67, 18.80 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.66: QG1 VAL 95 + QB ALA 79 OK 49 98 - 50 - 6496/3.7=14, 6895=7...(14) QB ALA 66 + QB ALA 79 OK 26 97 - 27 - 6496/3.7=5, 4599/6493=3...(10) QD1 ILE 27 + QB ALA 79 OK 11 76 - 14 - 2.1/6474=3, 3.2/6472=2...(4) QD1 LEU 62 - QB ALA 79 poor 8 63 - 13 - 6496/3.7=2, 2.1/6490=2 Peak 6476 from cnoeabs.peaks (1.38, 4.27, 55.09 ppm; 3.79 A): 4 out of 7 assignments used, quality = 0.94: HG12 ILE 37 + HA ALA 79 OK 84 92 - 92 - 5282=26, 2.1/6487=24...(28) QB ALA 78 + HA ALA 79 OK 51 76 - 67 - 361/3.0=20, 6473/2.1=16...(15) HB VAL 68 + HA ALA 79 OK 16 78 - 21 - ~6494=14, ~6129=2, ~6138=2 HG2 LYS 41 + HA ALA 79 OK 14 78 - 17 - 6473/2.1=3, 3.0/6478=3...(6) HB3 LEU 53 - HA ALA 79 lone 6 95 - 7 - 6473/2.1=2, 361/3.0=1 HG12 ILE 93 - HA ALA 79 lone 5 89 - 6 - ~6854=2 HG3 LYS 45 - HA ALA 79 lone 3 65 - 5 - Peak 6478 from cnoeabs.peaks (1.18, 4.27, 55.09 ppm; 3.78 A): 1 out of 6 assignments used, quality = 0.92: HG13 ILE 37 + HA ALA 79 OK 92 100 - 92 - 5283=30, 2.1/6487=23...(28) HB2 LEU 21 - HA ALA 79 OK 18 73 - 24 - ~6495=5, ~6493=5...(8) HB3 LEU 21 - HA ALA 79 OK 17 68 - 24 - ~6495=5, ~6493=5...(8) HB3 LYS 41 - HA ALA 79 OK 15 92 - 16 - 6479/3.0=3, 6474/2.1=3...(6) HG13 ILE 27 - HA ALA 79 poor 9 83 - 10 - 6474/2.1=3, ~6475=2...(4) QG2 THR 15 - HA ALA 79 lone 2 73 - 3 - 6474/2.1=1 Peak 6486 from cnoeabs.peaks (0.84, 4.27, 55.09 ppm; 3.53 A): 3 out of 9 assignments used, quality = 0.97: QG2 ILE 37 + HA ALA 79 OK 84 99 - 85 - 5290=19, 3.3/6487=16...(26) QG2 ILE 16 + HA ALA 79 OK 59 96 - 61 - 3.1/6488=15, ~6493=10...(15) QG2 ILE 80 + HA ALA 79 OK 54 100 - 54 - 3366/3.6=12, 3.2/6487=9...(13) QG1 VAL 30 - HA ALA 79 OK 18 100 - 18 - 6490/2.1=3, 5070/6466=2...(7) QG2 VAL 30 - HA ALA 79 OK 17 100 - 17 - 6490/2.1=3, 957/3.6=2...(6) QG1 VAL 18 - HA ALA 79 OK 12 63 - 19 - ~6492=14, 6490/2.1=2, 6480/3.0=2 QD2 LEU 62 - HA ALA 79 OK 11 100 - 11 - 6490/2.1=2, ~6475=2...(4) QG2 ILE 40 - HA ALA 79 lone 7 68 - 10 - 6490/2.1=1, ~1185=1, ~2041=1 QG2 VAL 25 - HA ALA 79 lone 4 73 - 6 - 6490/2.1=1 Peak 6487 from cnoeabs.peaks (0.35, 4.27, 55.09 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 37 + HA ALA 79 OK 88 100 - 88 - 6491/2.1=21, 2.1/5283=21...(29) HG13 ILE 80 + HA ALA 79 OK 46 87 - 53 - 959/3.6=14, 6491/2.1=12...(12) Peak 6488 from cnoeabs.peaks (0.23, 4.27, 55.09 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.59: QD1 ILE 16 + HA ALA 79 OK 59 78 - 76 - 6482/3.0=18, 4602/2.1=13...(22) Peak 6490 from cnoeabs.peaks (0.84, 1.67, 18.80 ppm; 2.81 A): 6 out of 9 assignments used, quality = 0.95: QG2 ILE 37 + QB ALA 79 OK 69 99 - 70 - 5269=14, 5290/2.1=10...(23) QG2 ILE 16 + QB ALA 79 OK 52 96 - 54 - 3.1/6493=14, 4590=9...(16) QG2 ILE 80 + QB ALA 79 OK 42 100 - 42 - 4.0/364=9, 3.0/6495=6...(13) QG1 VAL 30 + QB ALA 79 OK 17 100 - 17 - 5110/6494=2, 5070/6463=1...(6) QG2 VAL 30 + QB ALA 79 OK 16 100 - 17 - 6486/2.1=1, 3.9/6461=1...(4) QG1 VAL 18 + QB ALA 79 OK 10 63 - 17 - 2.1/6492=10, 6480/2.9=1 QD2 LEU 62 - QB ALA 79 lone 9 100 - 9 - 2.1/6475=2 QG2 ILE 40 - QB ALA 79 poor 8 68 - 12 - 5451/6494=2, 3.3/2041=1 QG2 VAL 25 - QB ALA 79 lone 6 73 - 9 - 3.9/6465=3 Peak 6491 from cnoeabs.peaks (0.35, 1.67, 18.80 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 37 + QB ALA 79 OK 92 100 - 92 - 6487/2.1=23, 5272=18...(26) HG13 ILE 80 + QB ALA 79 OK 52 87 - 59 - 959/3.7=14, 2.1/6495=13...(11) Peak 6492 from cnoeabs.peaks (0.68, 1.67, 18.80 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.54: QG2 VAL 18 + QB ALA 79 OK 54 100 - 54 - 4598/6493=16...(19) Peak 6493 from cnoeabs.peaks (0.26, 1.67, 18.80 ppm; 3.05 A): 2 out of 2 assignments used, quality = 0.70: QD1 ILE 16 + QB ALA 79 OK 60 99 - 60 - 4602=18, 6482/2.9=8...(21) QD1 LEU 21 + QB ALA 79 OK 26 85 - 30 - 2.1/6495=5, 6497/3.7=5...(12) Peak 6494 from cnoeabs.peaks (0.02, 1.67, 18.80 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.60: QG1 VAL 68 + QB ALA 79 OK 60 98 - 61 - 4596/6493=15...(19) Peak 6495 from cnoeabs.peaks (-0.17, 1.67, 18.80 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 80 + QB ALA 79 OK 75 98 - 76 - 960/3.7=26, 2.1/6491=17...(17) QD2 LEU 21 + QB ALA 79 OK 53 89 - 60 - 2.1/6493=15, 960/3.7=12...(16) Peak 6498 from cnoeabs.peaks (0.25, 3.42, 65.57 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 16 + HA ILE 80 OK 74 100 - 74 - 6506/4.2=20, 4636/3.0=15...(20) QD1 LEU 21 + HA ILE 80 OK 41 63 - 66 - 2.1/3358=17, 2.1/6500=15...(14) Peak 6499 from cnoeabs.peaks (0.97, 3.42, 65.57 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.85: QG1 VAL 95 + HA ILE 80 OK 77 99 - 78 - 6890=17, 2.1/6513=15...(22) QB ALA 66 + HA ILE 80 OK 33 96 - 35 - 6890=5, 6503/3.8=5...(10) QD1 ILE 27 - HA ILE 80 lone 7 73 - 9 - 6504/3.8=2, 6503/3.8=2...(4) QD1 LEU 62 - HA ILE 80 lone 6 65 - 8 - 6496/3.0=2, 6505/4.2=1 Peak 6500 from cnoeabs.peaks (1.10, 3.42, 65.57 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 95 + HA ILE 80 OK 93 100 - 94 - 2.1/6499=28, 2.1/6513=22...(27) HG LEU 21 + HA ILE 80 OK 51 100 - 51 - 2.1/3358=13, 2.1/6498=9...(15) QG2 THR 99 - HA ILE 80 lone 6 76 - 7 - 7029/6513=2 QG2 THR 46 - HA ILE 80 lone 1 68 - 2 - Peak 6501 from cnoeabs.peaks (0.97, 1.72, 38.41 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.97: QG1 VAL 95 + HB ILE 80 OK 92 99 - 94 - 6499/3.0=27, ~6908=20...(20) QB ALA 66 + HB ILE 80 OK 57 96 - 60 - 6505/3.2=12, 6504/2.9=12...(12) QD1 ILE 27 - HB ILE 80 OK 18 73 - 24 - 6504/2.9=5, 6503/2.9=4...(10) QD1 LEU 62 - HB ILE 80 OK 11 65 - 17 - 6505/3.2=3, 6496/4.0=3...(7) Peak 6502 from cnoeabs.peaks (1.57, 1.72, 38.41 ppm; 4.51 A): 3 out of 8 assignments used, quality = 0.95: HG3 LYS 77 + HB ILE 80 OK 67 100 - 68 - 3.8/4471=20, 6422/3.2=10...(17) HG2 LYS 77 + HB ILE 80 OK 67 100 - 68 - 3.8/4471=20, 6422/3.2=10...(17) HB3 PRO 49 + HB ILE 80 OK 57 99 - 58 - 5636/2.1=9, ~6517=8...(20) QB ALA 76 - HB ILE 80 OK 27 60 - 45 - 4.8/4471=15, 6386/3.2=10...(8) HB3 GLU 87 - HB ILE 80 OK 10 96 - 11 - ~6530=2, ~7126=2...(6) HG3 LYS 44 - HB ILE 80 lone 4 89 - 4 - HD2 LYS 86 - HB ILE 80 lone 4 60 - 6 - 6676/4.0=4, 6676/3359=1 HD2 LYS 63 - HB ILE 80 lone 3 76 - 4 - Peak 6503 from cnoeabs.peaks (0.98, 1.45, 29.07 ppm; 3.88 A): 4 out of 4 assignments used, quality = 0.93: QG1 VAL 95 + HG12 ILE 80 OK 81 100 - 82 - 6505/2.1=20, ~6908=18...(17) QB ALA 66 + HG12 ILE 80 OK 49 89 - 55 - 6505/2.1=12, 6504/1.8=10...(16) QD1 ILE 27 + HG12 ILE 80 OK 15 60 - 26 - 6504/1.8=4, 6505/2.1=3...(11) QD1 LEU 62 + HG12 ILE 80 OK 10 78 - 13 - 6505/2.1=3, 6496/4.8=2...(6) Peak 6504 from cnoeabs.peaks (0.96, 0.36, 29.07 ppm; 4.30 A): 3 out of 3 assignments used, quality = 0.92: QG1 VAL 95 + HG13 ILE 80 OK 78 89 - 88 - 2.1/6908=28, 6499/3.8=20...(16) QB ALA 66 + HG13 ILE 80 OK 55 100 - 55 - 6505/2.1=12, 6503/1.8=12...(15) QD1 ILE 27 + HG13 ILE 80 OK 20 92 - 22 - 4978/1.8=4, 6505/2.1=3...(9) Peak 6505 from cnoeabs.peaks (0.98, -0.18, 12.89 ppm; 3.65 A): 4 out of 4 assignments used, quality = 0.95: QG1 VAL 95 + QD1 ILE 80 OK 85 100 - 86 - 6911=18, 6503/2.1=16...(31) QB ALA 66 + QD1 ILE 80 OK 52 89 - 59 - 6503/2.1=10, 6031=9...(20) QD1 ILE 27 + QD1 ILE 80 OK 13 60 - 22 - 6503/2.1=3, 6504/2.1=3...(9) QD1 LEU 62 + QD1 ILE 80 OK 13 78 - 16 - 6503/2.1=2, 2.1/5108=2...(6) Peak 6506 from cnoeabs.peaks (0.26, -0.18, 12.89 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 16 + QD1 ILE 80 OK 85 100 - 85 - 4597=27, 3.1/4586=18...(22) QD1 LEU 21 + QD1 ILE 80 OK 46 76 - 60 - 6497/4.6=8, 6498/4.2=8...(29) Peak 6507 from cnoeabs.peaks (1.58, -0.18, 12.89 ppm; 3.83 A): 4 out of 6 assignments used, quality = 0.95: HG3 LYS 77 + QD1 ILE 80 OK 60 90 - 66 - 3.8/6420=19, 3.0/6426=11...(14) HG2 LYS 77 + QD1 ILE 80 OK 59 89 - 66 - 3.8/6420=19, 3.0/6426=11...(14) QB ALA 76 + QD1 ILE 80 OK 52 92 - 57 - 6386=16, 4.8/6420=14...(13) HB3 PRO 49 + QD1 ILE 80 OK 36 78 - 46 - 2.3/6526=5, 5636/3.0=5...(19) HB3 GLU 87 - QD1 ILE 80 OK 11 68 - 17 - 4.1/6712=6, 3.0/6530=3...(5) HD2 LYS 63 - QD1 ILE 80 lone 6 98 - 6 - Peak 6508 from cnoeabs.peaks (1.86, -0.18, 12.89 ppm; 4.13 A): 3 out of 11 assignments used, quality = 0.94: HB ILE 16 + QD1 ILE 80 OK 74 100 - 74 - 2.1/4586=20, 3.0/6533=19...(17) HD3 LYS 77 + QD1 ILE 80 OK 67 99 - 68 - 4.6/6420=17, 6426=16...(12) HB ILE 37 + QD1 ILE 80 OK 36 100 - 36 - 2.1/4586=5, 4.4/6537=5...(12) HB ILE 27 - QD1 ILE 80 OK 26 99 - 26 - 4963/2.1=3, 3.2/6505=3...(11) HB2 GLU 87 - QD1 ILE 80 OK 14 71 - 19 - 4.1/6712=8, 3.0/6530=4...(6) HB2 PRO 92 - QD1 ILE 80 lone 9 99 - 9 - 3.0/6528=2, 4.1/653=2, ~6520=1 HB2 LYS 63 - QD1 ILE 80 lone 6 78 - 8 - 3257/6420=1 HB2 LYS 44 - QD1 ILE 80 lone 5 100 - 5 - HB3 LYS 44 - QD1 ILE 80 lone 5 100 - 5 - HB2 PRO 74 - QD1 ILE 80 lone 3 78 - 4 - HB2 LYS 61 - QD1 ILE 80 lone 2 81 - 3 - Peak 6513 from cnoeabs.peaks (1.95, 3.42, 65.57 ppm; 3.58 A): 3 out of 9 assignments used, quality = 0.87: HB VAL 95 + HA ILE 80 OK 79 100 - 79 - 2.1/6499=24, 2.1/6500=17...(17) HG3 PRO 49 + HA ILE 80 OK 24 97 - 25 - 6517/3.2=7, 6526/4.2=3...(9) HB2 LYS 77 + HA ILE 80 OK 21 65 - 32 - ~4469=6, ~1192=6...(9) HB2 LYS 45 - HA ILE 80 lone 7 100 - 7 - 6517/3.2=1 HB3 LYS 45 - HA ILE 80 lone 7 100 - 7 - 6517/3.2=1 HG3 PRO 73 - HA ILE 80 lone 4 100 - 4 - HG2 GLN 19 - HA ILE 80 lone 2 73 - 3 - 6526/4.2=1 HB3 GLU 28 - HA ILE 80 lone 2 65 - 3 - HB2 GLU 65 - HA ILE 80 lone 1 68 - 2 - Peak 6514 from cnoeabs.peaks (2.78, 3.42, 65.57 ppm; 5.02 A): 4 out of 4 assignments used, quality = 0.91: HB3 ASP 84 + HA ILE 80 OK 65 100 - 66 - 1.8/6515=22, ~6639=13...(11) HB3 PHE 34 + HA ILE 80 OK 49 97 - 50 - 6518/3.2=11, 4.4/4679=5...(17) HB3 PHE 70 + HA ILE 80 OK 30 100 - 30 - 6518/3.2=6, 5.8/4773=3...(13) HB2 ASP 32 + HA ILE 80 OK 28 68 - 42 - 6518/3.2=9, ~5126=9...(9) Peak 6515 from cnoeabs.peaks (3.21, 3.42, 65.57 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.72: HB2 ASP 84 + HA ILE 80 OK 53 92 - 58 - 6639/3.2=14, 1.8/6514=12...(11) HB2 PHE 97 + HA ILE 80 OK 41 95 - 43 - 6519/3.2=18, 6969/4.2=12...(10) HD3 ARG 57 - HA ILE 80 lone 9 100 - 8 - 6519/3.2=2, ~6519=1 HD2 ARG 57 - HA ILE 80 lone 9 100 - 8 - 6519/3.2=2, ~6519=1 Peak 6517 from cnoeabs.peaks (1.95, 0.84, 16.66 ppm; 4.09 A): 2 out of 6 assignments used, quality = 0.95: HB VAL 95 + QG2 ILE 80 OK 89 100 - 89 - 6513/3.2=18, 6904=15...(27) HG3 PRO 49 + QG2 ILE 80 OK 57 99 - 58 - 5647=10, 2.3/5636=8...(18) HB3 LYS 45 - QG2 ILE 80 OK 11 100 - 10 - 6513/3.2=2, 6526/3.0=1 HB2 LYS 45 - QG2 ILE 80 OK 11 100 - 10 - 6513/3.2=2, 6526/3.0=1 HG2 GLN 19 - QG2 ILE 80 lone 6 63 - 10 - ~6525=2, 6526/3.0=2, 3.5/4324=2 HG3 PRO 73 - QG2 ILE 80 lone 5 100 - 4 - Peak 6518 from cnoeabs.peaks (2.77, 0.84, 16.66 ppm; 4.05 A): 4 out of 4 assignments used, quality = 0.86: HB3 ASP 84 + QG2 ILE 80 OK 51 100 - 51 - 1.8/6639=17, 4.0/4324=8...(10) HB3 PHE 34 + QG2 ILE 80 OK 42 100 - 42 - 1.8/3367=7, 3.0/7125=6...(11) HB2 ASP 32 + QG2 ILE 80 OK 36 89 - 41 - 3.0/7125=9, 5123/2.1=7...(12) HB3 PHE 70 + QG2 ILE 80 OK 23 99 - 23 - 6238=4, 6514/3.2=4...(10) Peak 6519 from cnoeabs.peaks (3.21, 0.84, 16.66 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.74: HB2 PHE 97 + QG2 ILE 80 OK 56 87 - 64 - ~6537=10, 6969/3.0=9...(16) HB2 ASP 84 + QG2 ILE 80 OK 41 83 - 50 - 6639=14, 1.8/6518=11...(12) HD3 ARG 57 - QG2 ILE 80 lone 6 100 - 6 - 6515/3.2=2, ~6515=1 HD2 ARG 57 - QG2 ILE 80 lone 6 100 - 6 - 6515/3.2=2, ~6515=1 Peak 6520 from cnoeabs.peaks (3.79, 1.45, 29.07 ppm; 4.94 A): 2 out of 7 assignments used, quality = 0.93: HA LYS 77 + HG12 ILE 80 OK 90 100 - 91 - 6420/2.1=35, 6419/1.8=29...(16) HA ILE 40 + HG12 ILE 80 OK 29 100 - 29 - 6528/2.1=5, 4471/2.9=5...(8) HA2 GLY 22 - HG12 ILE 80 OK 24 87 - 27 - ~61=8, 6528/2.1=5...(6) HD2 PRO 92 - HG12 ILE 80 OK 11 100 - 11 - 6528/2.1=3, 4471/2.9=2...(4) HA SER 89 - HG12 ILE 80 lone 8 99 - 8 - 1192/4.8=2, 4471/2.9=2 HB3 SER 11 - HG12 ILE 80 lone 4 100 - 4 - HA2 GLY 60 - HG12 ILE 80 lone 2 65 - 3 - Peak 6521 from cnoeabs.peaks (4.70, 1.45, 29.07 ppm; 5.56 A): 2 out of 5 assignments used, quality = 0.97: HA SER 96 + HG12 ILE 80 OK 95 100 - 95 - 6955/2.1=33, ~6945=29...(16) HA LEU 53 + HG12 ILE 80 OK 39 100 - 39 - 7126/3.2=8, 6530/2.1=8...(10) HA GLU 87 - HG12 ILE 80 OK 20 100 - 20 - 6530/2.1=6, 6522/1.8=4...(6) HA THR 26 - HG12 ILE 80 OK 19 85 - 22 - 6530/2.1=4, 7126/3.2=4...(7) HB THR 26 - HG12 ILE 80 OK 19 92 - 20 - 6522/1.8=4, 7126/3.2=3...(6) Peak 6522 from cnoeabs.peaks (4.69, 0.36, 29.07 ppm; 5.05 A): 1 out of 6 assignments used, quality = 0.94: HA SER 96 + HG13 ILE 80 OK 94 99 - 95 - 6955/2.1=32, 3.0/6945=32...(17) HA LEU 53 - HG13 ILE 80 OK 29 97 - 30 - 6530/2.1=7, 7126/3.2=7...(8) HB THR 26 - HG13 ILE 80 OK 17 99 - 17 - 6521/1.8=3, 7126/3.2=3...(7) HA GLU 87 - HG13 ILE 80 OK 16 97 - 16 - 6530/2.1=5, 6521/1.8=3...(5) HA THR 26 - HG13 ILE 80 OK 12 63 - 18 - 6521/1.8=3, 6530/2.1=3...(7) HA GLN 48 - HG13 ILE 80 lone 7 81 - 8 - 5.9/3380=3, 5.9/6536=3 Peak 6523 from cnoeabs.peaks (3.19, -0.18, 12.89 ppm; 4.92 A): 2 out of 5 assignments used, quality = 0.94: HB2 PHE 97 + QD1 ILE 80 OK 88 97 - 91 - 2.4/6537=32, 3.0/6531=29...(15) HB2 ASP 84 + QD1 ILE 80 OK 51 99 - 53 - 6639/3.0=18, ~6518=9...(11) HB3 TYR 54 - QD1 ILE 80 OK 13 73 - 17 - 2.5/6538=5, 3.0/6531=3...(4) HD3 ARG 57 - QD1 ILE 80 lone 6 76 - 7 - ~6519=2, 6515/4.2=1 HD2 ARG 57 - QD1 ILE 80 lone 5 71 - 7 - ~6519=2, 6515/4.2=1 Peak 6524 from cnoeabs.peaks (2.89, -0.18, 12.89 ppm; 4.89 A): 2 out of 5 assignments used, quality = 0.96: HB3 PHE 97 + QD1 ILE 80 OK 91 100 - 91 - 2.4/6537=32, 3.0/6531=29...(15) HB3 PHE 88 + QD1 ILE 80 OK 56 89 - 63 - 6719=16, 1.8/6720=16...(14) HB2 ASN 91 - QD1 ILE 80 lone 7 78 - 9 - 6780/6712=2, 4.9/6528=2...(4) HB3 ASN 91 - QD1 ILE 80 lone 7 76 - 9 - 6780/6712=2, 4.9/6528=2...(4) HB2 ASN 24 - QD1 ILE 80 lone 2 78 - 3 - Peak 6525 from cnoeabs.peaks (2.10, -0.18, 12.89 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.96: HB3 LYS 77 + QD1 ILE 80 OK 93 100 - 94 - 3.0/6420=33, 6421=29...(21) HB2 GLN 19 + QD1 ILE 80 OK 35 98 - 35 - 4.0/4729=12, 2.9/6531=10...(5) HB2 GLN 36 - QD1 ILE 80 OK 18 99 - 18 - ~7182=5, ~7181=4...(5) HB2 GLU 28 - QD1 ILE 80 poor 9 65 - 14 - ~4413=2, ~4998=2...(7) HG2 PRO 74 - QD1 ILE 80 lone 7 100 - 7 - 941/6417=3 HB2 GLU 58 - QD1 ILE 80 lone 1 63 - 2 - Peak 6526 from cnoeabs.peaks (1.95, -0.18, 12.89 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.98: HB VAL 95 + QD1 ILE 80 OK 90 100 - 90 - ~6908=27, 2.1/6505=25...(20) HG3 PRO 49 + QD1 ILE 80 OK 60 97 - 62 - 6517/3.0=12, 2.3/6507=7...(18) HB2 LYS 77 + QD1 ILE 80 OK 58 65 - 89 - 3.0/6420=31, 1.8/6421=22...(20) HG2 GLN 19 - QD1 ILE 80 OK 21 73 - 28 - 5.2/4729=9, 4.1/6531=7...(6) HB2 LYS 45 - QD1 ILE 80 OK 13 100 - 13 - 6517/3.0=2, ~6517=2, 6513/4.2=2 HB3 LYS 45 - QD1 ILE 80 OK 13 100 - 13 - 6517/3.0=2, ~6517=2, 6513/4.2=2 HB2 GLU 65 - QD1 ILE 80 poor 10 68 - 14 - 4.4/6545=6, ~6000=2, 3.7/6538=2 HB3 GLU 28 - QD1 ILE 80 poor 10 65 - 14 - ~4413=2, 1.8/6525=2...(7) HG3 PRO 73 - QD1 ILE 80 lone 5 100 - 5 - 6513/4.2=1 Peak 6527 from cnoeabs.peaks (1.84, 0.36, 29.07 ppm; 4.69 A): 4 out of 12 assignments used, quality = 0.91: HB ILE 16 + HG13 ILE 80 OK 69 92 - 75 - ~6533=16, ~4586=15...(14) HB ILE 37 + HG13 ILE 80 OK 42 96 - 44 - 2.1/1934=8, 4.4/156=7...(13) HD3 LYS 77 + HG13 ILE 80 OK 38 73 - 52 - 4.6/6419=17, 6426/2.1=15...(9) HB ILE 27 + HG13 ILE 80 OK 22 76 - 29 - 3.2/6504=5, 6508/2.1=4...(12) HB2 LYS 94 - HG13 ILE 80 poor 10 81 - 12 - ~6533=6, 6941/6945=2...(4) HB2 PRO 92 - HG13 ILE 80 lone 6 73 - 8 - ~6528=1, ~6520=1...(4) HB2 PRO 74 - HG13 ILE 80 lone 5 99 - 5 - HB3 GLU 65 - HG13 ILE 80 lone 4 85 - 5 - ~6000=2 HB2 LYS 44 - HG13 ILE 80 lone 4 89 - 5 - HB3 LYS 44 - HG13 ILE 80 lone 4 83 - 5 - HB2 LYS 61 - HG13 ILE 80 lone 3 100 - 3 - HB ILE 39 - HG13 ILE 80 lone 2 81 - 3 - Peak 6528 from cnoeabs.peaks (3.80, -0.18, 12.89 ppm; 3.26 A): 3 out of 6 assignments used, quality = 0.81: HA LYS 77 + QD1 ILE 80 OK 75 99 - 75 - 6420=29, 4471/3.2=12...(19) HA2 GLY 22 + QD1 ILE 80 OK 12 78 - 16 - 3.0/61=5, 1.8/6529=3...(5) HA ILE 40 + QD1 ILE 80 OK 12 99 - 12 - 6520/2.1=2, 4471/3.2=2...(4) HD2 PRO 92 - QD1 ILE 80 lone 6 100 - 6 - 4471/3.2=1 HA SER 89 - QD1 ILE 80 lone 4 100 - 4 - 1192/4.6=1 HB3 SER 11 - QD1 ILE 80 lone 2 98 - 2 - Peak 6529 from cnoeabs.peaks (4.11, -0.18, 12.89 ppm; 4.92 A): 3 out of 8 assignments used, quality = 0.95: HB2 SER 96 + QD1 ILE 80 OK 91 99 - 92 - 6950=31, 3.0/6955=29...(15) HA3 GLY 22 + QD1 ILE 80 OK 31 99 - 31 - 3.0/61=11, 1.8/6528=6...(8) HA GLN 36 + QD1 ILE 80 OK 16 93 - 17 - 3.0/6525=4, 5248/3.0=2...(5) HB THR 15 - QD1 ILE 80 lone 9 90 - 10 - ~4570=2, 1274/7018=2, ~4564=1 HB THR 67 - QD1 ILE 80 lone 7 95 - 8 - ~3021=2, ~6098=1 HA GLU 23 - QD1 ILE 80 lone 7 100 - 7 - HA THR 99 - QD1 ILE 80 lone 4 73 - 5 - 6958/6969=1 HA ILE 39 - QD1 ILE 80 lone 4 68 - 5 - Peak 6530 from cnoeabs.peaks (4.70, -0.18, 12.89 ppm; 3.66 A): 4 out of 5 assignments used, quality = 0.88: HA SER 96 + QD1 ILE 80 OK 80 99 - 81 - 6955=32, 3.6/6968=16...(15) HA LEU 53 + QD1 ILE 80 OK 23 100 - 23 - 4.0/5824=5, 7126/3.0=5...(6) HA GLU 87 + QD1 ILE 80 OK 16 100 - 15 - 3.6/6712=6, 7126/3.0=2...(6) HA THR 26 + QD1 ILE 80 OK 10 92 - 11 - 7126/3.0=2, 6521/2.1=1...(4) HB THR 26 - QD1 ILE 80 lone 8 85 - 9 - 7126/3.0=2, 6522/2.1=2...(4) Peak 6531 from cnoeabs.peaks (4.77, -0.18, 12.89 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.79: HA PHE 97 + QD1 ILE 80 OK 73 100 - 74 - 2.9/6968=21, 3.7/6537=18...(15) HA GLN 19 + QD1 ILE 80 OK 23 93 - 24 - 2.9/4729=8, 3.6/4751=6...(7) HA TYR 54 - QD1 ILE 80 lone 9 100 - 9 - 3.7/6538=3, 3.0/6523=2 HA THR 55 - QD1 ILE 80 lone 1 68 - 2 - Peak 6533 from cnoeabs.peaks (5.19, -0.18, 12.89 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.86: HA ILE 16 + QD1 ILE 80 OK 81 97 - 84 - 4580=27, 3.6/6546=24...(21) HA LYS 94 + QD1 ILE 80 OK 27 100 - 27 - 6858/6914=4, 6888/6505=3...(13) Peak 6534 from cnoeabs.peaks (4.97, 3.42, 65.57 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.91: HA VAL 95 + HA ILE 80 OK 89 99 - 90 - 3.0/6543=32, 3.2/6499=29...(15) HA VAL 18 + HA ILE 80 OK 13 98 - 14 - 3945/6500=5, 4611/6498=4...(4) HA ASN 24 - HA ILE 80 lone 3 81 - 3 - Peak 6535 from cnoeabs.peaks (7.33, 0.36, 29.07 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.96: QD PHE 97 + HG13 ILE 80 OK 91 100 - 92 - 6537/2.1=33, 4.5/6967=28...(17) H GLY 38 + HG13 ILE 80 OK 49 98 - 50 - 156=12, 6537/2.1=10...(12) HZ2 TRP 82 - HG13 ILE 80 OK 41 97 - 42 - 2.8/6587=15, 5.0/4729=7...(8) H THR 26 - HG13 ILE 80 OK 12 68 - 17 - 4.0/6522=3, ~6521=3...(5) Peak 6536 from cnoeabs.peaks (6.99, 0.36, 29.07 ppm; 5.23 A): 5 out of 9 assignments used, quality = 0.86: QE PHE 83 + HG13 ILE 80 OK 60 97 - 62 - 2.2/4739=16, ~3387=12...(16) HZ PHE 88 + HG13 ILE 80 OK 39 93 - 42 - 4853/2.1=15, ~4752=10...(5) HE22 GLN 48 + HG13 ILE 80 OK 27 92 - 29 - 1.7/3380=7, ~3373=5...(5) HE22 GLN 19 + HG13 ILE 80 OK 13 92 - 13 - ~4327=4, ~4325=2...(4) QE PHE 70 + HG13 ILE 80 OK 11 68 - 16 - ~4777=2, ~7044=2...(7) QE PHE 17 - HG13 ILE 80 poor 10 83 - 12 - ~4678=3, 4683/1.8=2, ~4652=2 HD21 ASN 13 - HG13 ILE 80 lone 6 71 - 9 - 4507/6535=3, 4518/6908=1 HD21 ASN 52 - HG13 ILE 80 lone 4 99 - 4 - HD21 ASN 24 - HG13 ILE 80 lone 4 100 - 4 - Peak 6537 from cnoeabs.peaks (7.33, -0.18, 12.89 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.80: QD PHE 97 + QD1 ILE 80 OK 71 100 - 71 - 6972=15, 3.7/6531=13...(21) H GLY 38 + QD1 ILE 80 OK 22 100 - 22 - 156/2.1=6, 153/3.0=3...(7) HZ2 TRP 82 + QD1 ILE 80 OK 11 99 - 11 - ~6587=4, 6535/2.1=3 HD21 ASN 91 - QD1 ILE 80 lone 3 68 - 4 - Peak 6538 from cnoeabs.peaks (7.17, -0.18, 12.89 ppm; 3.98 A): 3 out of 6 assignments used, quality = 0.94: QE PHE 97 + QD1 ILE 80 OK 73 99 - 75 - 2.2/6537=27, 4768=19...(18) H LYS 77 + QD1 ILE 80 OK 57 73 - 77 - 3.0/6420=25, 3.6/6386=13...(18) HZ PHE 97 + QD1 ILE 80 OK 46 76 - 61 - 3.8/6537=19, 2.2/4768=14...(16) QD TYR 54 - QD1 ILE 80 OK 26 100 - 26 - 4695/6968=4, 4706/6505=2...(11) H GLU 65 - QD1 ILE 80 poor 10 60 - 16 - 4.6/6545=4, 3.6/5997=3...(5) HD22 ASN 43 - QD1 ILE 80 lone 1 73 - 2 - Peak 6540 from cnoeabs.peaks (8.49, 1.72, 38.41 ppm; 5.27 A): 3 out of 6 assignments used, quality = 0.93: H TRP 82 + HB ILE 80 OK 75 100 - 75 - 4.6/367=20, 1200/3.0=17...(12) H PHE 83 + HB ILE 80 OK 57 95 - 61 - 1207/3.0=14, 1124/4.5=13...(10) H ALA 98 + HB ILE 80 OK 34 89 - 39 - 7018/3.2=18, 7017/2.1=9...(6) H LEU 21 - HB ILE 80 OK 22 76 - 29 - 653/3.2=7, ~1443=6...(7) H ASP 72 - HB ILE 80 OK 16 93 - 16 - 1194/4.0=3, 4487/3.0=3...(6) H THR 42 - HB ILE 80 poor 10 83 - 12 - 6544/3.2=2, 6541/2.1=2...(5) Peak 6541 from cnoeabs.peaks (8.50, 0.84, 16.66 ppm; 4.70 A): 3 out of 6 assignments used, quality = 0.96: H TRP 82 + QG2 ILE 80 OK 79 100 - 79 - 3.6/7125=17, 372/4.4=17...(19) H PHE 83 + QG2 ILE 80 OK 62 87 - 71 - 1207/3.2=11, 4.4/3366=10...(19) H ALA 98 + QG2 ILE 80 OK 44 78 - 57 - 4.4/6519=15, 7018/3.0=13...(12) H LEU 21 - QG2 ILE 80 OK 25 63 - 40 - 4.7/3372=9, 653/3.0=5...(11) H ASP 72 - QG2 ILE 80 OK 16 85 - 18 - 1194/4.0=3, 4487/3.2=2...(7) H THR 42 - QG2 ILE 80 poor 10 71 - 14 - 6540/2.1=1, 6544/3.0=1...(4) Peak 6542 from cnoeabs.peaks (8.91, 0.84, 16.66 ppm; 4.33 A): 4 out of 4 assignments used, quality = 0.95: H SER 96 + QG2 ILE 80 OK 69 85 - 82 - 3.0/7126=20, 6945/3.2=20...(17) H PHE 97 + QG2 ILE 80 OK 63 81 - 78 - 6968/3.0=20, 6967/3.2=19...(15) H ALA 66 + QG2 ILE 80 OK 49 97 - 51 - 6032=6, 6545/3.0=6...(17) H VAL 18 + QG2 ILE 80 OK 11 65 - 17 - 4.6/28=4, 3.6/4669=3...(4) Peak 6543 from cnoeabs.peaks (9.38, 3.42, 65.57 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.80: H VAL 95 + HA ILE 80 OK 80 97 - 82 - 3.0/6534=31, 4.0/6499=27...(12) Peak 6544 from cnoeabs.peaks (8.48, -0.18, 12.89 ppm; 4.76 A): 4 out of 8 assignments used, quality = 0.99: H ALA 98 + QD1 ILE 80 OK 85 99 - 86 - 7018=27, 3.6/6531=25...(15) H PHE 83 + QD1 ILE 80 OK 61 100 - 61 - 1207/4.2=11, 982/4.6=10...(13) H TRP 82 + QD1 ILE 80 OK 60 97 - 63 - 6578/2.1=15, 4.6/371=14...(10) H LEU 21 + QD1 ILE 80 OK 56 93 - 60 - 653=11, 2.9/1443=10...(20) H ILE 93 - QD1 ILE 80 OK 27 68 - 40 - 4.0/6848=11, 5.0/6850=9...(10) H THR 42 - QD1 ILE 80 OK 17 97 - 18 - 5506/6968=3, 176/2.1=2...(6) H ASP 72 - QD1 ILE 80 OK 16 100 - 16 - 1194/4.6=2, 6540/3.2=2...(5) H THR 15 - QD1 ILE 80 OK 11 65 - 17 - 4639/6533=2, 4563/6386=2...(5) Peak 6545 from cnoeabs.peaks (8.90, -0.18, 12.89 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.94: H PHE 97 + QD1 ILE 80 OK 83 96 - 87 - 6968=30, 2.9/6531=20...(17) H SER 96 + QD1 ILE 80 OK 48 63 - 77 - 3.0/6955=20, 4.6/6968=13...(18) H ALA 66 + QD1 ILE 80 OK 32 83 - 38 - 2.9/6505=10, 6542/3.0=6...(9) H MET 50 - QD1 ILE 80 poor 10 73 - 13 - 3.8/6507=4, 5657/3.0=2 Peak 6546 from cnoeabs.peaks (9.55, -0.18, 12.89 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.74: H PHE 17 + QD1 ILE 80 OK 74 93 - 79 - 3.6/6533=28, 4.4/4586=18...(16) Peak 6550 from cnoeabs.peaks (1.71, 2.72, 40.30 ppm; 5.30 A): 7 out of 8 assignments used, quality = 0.92: HB ILE 80 + HB2 ASP 81 OK 68 99 - 68 - 4.5/963=29, 4.0/6511=21...(9) HD3 LYS 35 + HB2 ASP 81 OK 32 63 - 52 - ~5239=12, 6552/1.8=10...(9) HD2 LYS 35 + HB2 ASP 81 OK 32 60 - 53 - ~5240=11, ~5236=9...(11) HD2 LYS 45 + HB2 ASP 81 OK 17 97 - 17 - 2.9/6551=4, 6552/1.8=4...(4) HD3 LYS 45 + HB2 ASP 81 OK 16 96 - 17 - 2.9/6551=4, 6552/1.8=4...(4) HB2 LEU 53 + HB2 ASP 81 OK 14 99 - 14 - 1.8/6551=4, 6552/1.8=3...(4) HD2 LYS 77 + HB2 ASP 81 OK 12 97 - 13 - 367/4.0=4, 6552/1.8=3...(4) HG12 ILE 39 - HB2 ASP 81 lone 3 81 - 3 - Peak 6551 from cnoeabs.peaks (1.40, 2.72, 40.30 ppm; 4.80 A): 3 out of 7 assignments used, quality = 0.89: QB ALA 78 + HB2 ASP 81 OK 86 100 - 86 - 2.1/4475=38, ~4477=33...(7) HG3 LYS 45 + HB2 ASP 81 OK 15 100 - 14 - 6553/1.8=5, 2.9/6550=3...(5) HB3 LEU 53 + HB2 ASP 81 OK 11 97 - 11 - 6553/1.8=3, 1.8/6550=3...(4) HG2 LYS 41 - HB2 ASP 81 lone 8 100 - 8 - 6576/4.4=4, 6553/1.8=2 HG2 LYS 61 - HB2 ASP 81 lone 5 78 - 6 - 6553/1.8=2, ~6553=1 HG3 LYS 61 - HB2 ASP 81 lone 5 76 - 6 - 6553/1.8=2, ~6553=1 HD3 LYS 86 - HB2 ASP 81 lone 4 76 - 6 - 6576/4.4=1, 6677/6511=1 Peak 6552 from cnoeabs.peaks (1.71, 2.63, 40.30 ppm; 4.82 A): 5 out of 15 assignments used, quality = 0.78: HB ILE 80 + HB3 ASP 81 OK 50 97 - 52 - 4.5/964=24, ~7125=12...(7) HD3 LYS 35 + HB3 ASP 81 OK 35 73 - 47 - ~5239=10, 5240/3.0=9...(10) HD2 LYS 45 + HB3 ASP 81 OK 14 99 - 14 - 2.9/6553=4, 6550/1.8=3...(4) HD3 LYS 45 + HB3 ASP 81 OK 14 99 - 14 - 2.9/6553=4, 6550/1.8=3...(4) HB2 LEU 53 + HB3 ASP 81 OK 11 97 - 11 - 1.8/6553=3, ~6551=3...(4) HD2 LYS 77 - HB3 ASP 81 lone 10 99 - 10 - 367/4.0=4, 6438/4477=2 HD2 LYS 61 - HB3 ASP 81 lone 4 63 - 6 - 3.0/6553=1, 3.0/6553=1 HD3 LYS 61 - HB3 ASP 81 lone 4 63 - 6 - 3.0/6553=1, 3.0/6553=1 HB ILE 40 - HB3 ASP 81 lone 3 65 - 5 - ~5428=2 HG12 ILE 39 - HB3 ASP 81 lone 3 89 - 3 - HD3 LYS 44 - HB3 ASP 81 lone 2 65 - 3 - HD2 LYS 44 - HB3 ASP 81 lone 2 63 - 3 - HG2 ARG 57 - HB3 ASP 81 lone 2 65 - 3 - HG3 ARG 57 - HB3 ASP 81 lone 2 60 - 3 - HD3 LYS 63 - HB3 ASP 81 lone 1 63 - 2 - Peak 6553 from cnoeabs.peaks (1.40, 2.63, 40.30 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.88: QB ALA 78 + HB3 ASP 81 OK 83 100 - 83 - 2.1/4477=45, ~4475=31...(5) HG3 LYS 45 + HB3 ASP 81 OK 16 100 - 16 - 6551/1.8=5, 2.9/6552=3...(5) HB3 LEU 53 + HB3 ASP 81 OK 12 97 - 12 - 6551/1.8=4, 1.8/6552=3...(4) HG2 LYS 41 - HB3 ASP 81 lone 8 100 - 8 - 6576/4.4=4, 6551/1.8=3 HG2 LYS 61 - HB3 ASP 81 lone 6 78 - 7 - 6551/1.8=2, ~6551=1 HG3 LYS 61 - HB3 ASP 81 lone 5 76 - 7 - 6551/1.8=1, ~6551=1 HD3 LYS 86 - HB3 ASP 81 lone 4 76 - 5 - 6576/4.4=1, 6551/1.8=1 Peak 6554 from cnoeabs.peaks (2.16, 4.31, 56.84 ppm; 4.44 A): 3 out of 14 assignments used, quality = 0.92: HB3 LYS 35 + HA ASP 32 OK 72 91 - 79 - 3.0/5236=18, 4442=17...(13) HB3 LYS 35 + HA ASP 81 OK 63 100 - 63 - 1.8/6555=14, 4442=14...(10) HB2 PRO 73 + HA ASP 32 OK 26 91 - 29 - ~7198=7, ~5132=5...(7) HB2 PRO 73 - HA ASP 81 lone 6 100 - 5 - ~7198=1 HB3 PRO 92 - HA ASP 81 lone 4 99 - 4 - HG3 PRO 92 - HA ASP 81 lone 4 96 - 4 - HB3 PRO 92 - HA ASP 32 lone 4 88 - 4 - HG3 PRO 92 - HA ASP 32 lone 3 83 - 4 - HB3 GLU 58 - HA ASP 32 lone 3 90 - 3 - HB3 GLU 58 - HA ASP 81 lone 2 100 - 2 - HG3 GLU 65 - HA ASP 32 lone 2 59 - 4 - ~5113=1 HB2 PHE 88 - HA ASP 32 lone 2 77 - 2 - HB2 PHE 88 - HA ASP 81 lone 1 90 - 2 - HG3 GLU 65 - HA ASP 81 lone 1 71 - 1 - Peak 6555 from cnoeabs.peaks (2.04, 4.31, 56.84 ppm; 4.40 A): 3 out of 14 assignments used, quality = 0.90: HB2 LYS 35 + HA ASP 32 OK 69 87 - 80 - 4440=21, 3.0/5236=18...(14) HB2 LYS 35 + HA ASP 81 OK 62 98 - 64 - 4440=16, 1.8/6554=12...(11) HB3 GLN 36 + HA ASP 32 OK 11 56 - 19 - 4.0/7156=7, 3.0/7180=5...(4) HB3 GLN 36 - HA ASP 81 poor 9 68 - 14 - 4.0/7156=6, 3.0/7180=4 HB3 MET 50 - HA ASP 32 lone 5 82 - 7 - 5664/4.8=3 QE MET 50 - HA ASP 32 lone 4 87 - 5 - 5671/4.8=2 HG2 PRO 92 - HA ASP 81 lone 4 92 - 4 - HG2 PRO 92 - HA ASP 32 lone 3 79 - 4 - HB2 LYS 86 - HA ASP 32 lone 3 51 - 5 - 2.8/5121=1 HB2 LYS 86 - HA ASP 81 lone 2 63 - 4 - HB3 MET 50 - HA ASP 81 lone 2 95 - 2 - HB3 GLU 23 - HA ASP 32 lone 2 72 - 3 - QE MET 50 - HA ASP 81 lone 2 98 - 2 - HB3 GLU 23 - HA ASP 81 lone 1 85 - 2 - Peak 6557 from cnoeabs.peaks (7.55, 2.54, 30.57 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.89: QD PHE 83 + HB2 TRP 82 OK 73 100 - 74 - 4.4/378=21, 4801/3.9=21...(15) H ILE 80 + HB2 TRP 82 OK 59 89 - 67 - 3.6/4482=24, 6561/1.8=12...(13) HE21 GLN 48 - HB2 TRP 82 poor 10 65 - 14 - 1.7/6559=3, 1201/4.0=2...(6) H TYR 33 - HB2 TRP 82 poor 9 71 - 13 - 6561/1.8=4, 4721/3.9=3...(4) Peak 6558 from cnoeabs.peaks (7.96, 2.54, 30.57 ppm; 5.01 A): 4 out of 5 assignments used, quality = 0.95: H ASP 81 + HB2 TRP 82 OK 74 100 - 75 - 4.6/967=25, 6548=25...(11) H ASP 84 + HB2 TRP 82 OK 63 99 - 65 - 4.7/378=25, 4.6/6557=14...(10) H VAL 30 + HB2 TRP 82 OK 29 96 - 30 - 6562/1.8=6, ~4425=5...(8) HE21 GLN 19 + HB2 TRP 82 OK 21 97 - 21 - 4500/3.0=5, 6562/1.8=4...(6) H PHE 34 - HB2 TRP 82 lone 5 65 - 8 - 4.6/6557=2, 118/1.8=2 Peak 6559 from cnoeabs.peaks (7.00, 2.54, 30.57 ppm; 5.18 A): 7 out of 9 assignments used, quality = 0.94: QE PHE 83 + HB2 TRP 82 OK 76 95 - 81 - 2.2/6557=22, 4839/3.9=22...(14) HZ PHE 88 + HB2 TRP 82 OK 38 89 - 43 - ~6563=11, ~4744=6...(11) HE22 GLN 19 + HB2 TRP 82 OK 22 96 - 22 - 1.7/6558=5, 6560/3.0=4...(7) HE22 GLN 48 + HB2 TRP 82 OK 19 87 - 21 - 4839/3.9=3, 1.7/6557=3...(9) HD21 ASN 13 + HB2 TRP 82 OK 15 78 - 19 - 7163/3.9=4, 6589/4.3=4...(6) QE PHE 17 + HB2 TRP 82 OK 12 89 - 14 - 6560/3.0=6, 7163/3.9=2...(4) QE PHE 70 + HB2 TRP 82 OK 10 60 - 18 - 4839/3.9=3, 5307/5278=3...(7) HD21 ASN 52 - HB2 TRP 82 lone 8 97 - 8 - 4839/3.9=1, 6560/3.0=1 HD21 ASN 24 - HB2 TRP 82 lone 8 100 - 7 - 4839/3.9=1, 6560/3.0=1 Peak 6560 from cnoeabs.peaks (7.00, 4.36, 59.12 ppm; 5.40 A): 6 out of 8 assignments used, quality = 0.93: QE PHE 83 + HA TRP 82 OK 68 89 - 76 - 4839/4.5=19, ~6563=18...(12) QE PHE 17 + HA TRP 82 OK 39 95 - 42 - 4.4/6579=23, 4.4/4661=6...(8) HZ PHE 88 + HA TRP 82 OK 29 81 - 36 - ~6563=9, 6559/3.0=7...(8) HE22 GLN 19 + HA TRP 82 OK 25 99 - 24 - 1.7/4500=6, 6559/3.0=4...(7) HD21 ASN 13 + HA TRP 82 OK 19 87 - 22 - 7163/4.5=5, 6589/3.6=4...(7) HE22 GLN 48 + HA TRP 82 OK 14 78 - 18 - 6559/3.0=3, 6589/3.6=3...(7) HD21 ASN 24 - HA TRP 82 lone 7 99 - 7 - 6559/3.0=1, 4839/4.5=1 HD21 ASN 52 - HA TRP 82 lone 6 92 - 7 - 6559/3.0=1, 4839/4.5=1 Peak 6561 from cnoeabs.peaks (7.55, 3.09, 30.57 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.92: QD PHE 83 + HB3 TRP 82 OK 80 99 - 81 - 4801/3.9=24, 4.4/379=23...(16) H ILE 80 + HB3 TRP 82 OK 54 78 - 69 - 3.6/4484=23, 6557/1.8=17...(14) H TYR 33 + HB3 TRP 82 OK 17 83 - 21 - 710=4, 4721/3.9=3...(9) Peak 6562 from cnoeabs.peaks (7.95, 3.09, 30.57 ppm; 5.09 A): 4 out of 5 assignments used, quality = 0.95: H ASP 81 + HB3 TRP 82 OK 75 100 - 75 - 4.6/968=26, 6548/1.8=24...(11) H ASP 84 + HB3 TRP 82 OK 63 100 - 64 - 4.7/379=24, 4.6/6561=14...(10) H VAL 30 + HB3 TRP 82 OK 29 89 - 33 - 3.0/4425=7, 6558/1.8=6...(8) HE21 GLN 19 + HB3 TRP 82 OK 21 100 - 21 - 4500/3.0=5, 6558/1.8=5...(6) HD21 ASN 14 - HB3 TRP 82 lone 5 71 - 7 - 1124/4.3=2, 4500/3.0=1 Peak 6563 from cnoeabs.peaks (6.95, 3.09, 30.57 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.56: HZ PHE 83 + HB3 TRP 82 OK 44 100 - 44 - 4723/3.9=18, 3.8/6561=11...(8) QE PHE 88 + HB3 TRP 82 OK 22 100 - 22 - 4744=6, 4723/3.9=6...(7) QE PHE 70 - HB3 TRP 82 lone 5 87 - 6 - 6565/3.9=2, 6703=1 HE22 GLN 48 - HB3 TRP 82 lone 3 60 - 5 - ~6557=2, 4839/3.9=1 Peak 6564 from cnoeabs.peaks (7.55, 5.26, 126.58 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.94: QD PHE 83 + HD1 TRP 82 OK 88 99 - 89 - 4801=36, 2.2/4839=28...(16) H ILE 80 + HD1 TRP 82 OK 42 78 - 54 - 6557/3.9=13, 6561/3.9=11...(11) H TYR 33 + HD1 TRP 82 OK 15 83 - 18 - 6561/3.9=4, 4.0/4581=3...(7) Peak 6565 from cnoeabs.peaks (6.96, 5.26, 126.58 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.76: HZ PHE 83 + HD1 TRP 82 OK 59 99 - 59 - 3.8/4721=19, 2.2/4818=18...(8) QE PHE 83 + HD1 TRP 82 OK 29 60 - 49 - 2.2/4721=27, 4818=10...(7) QE PHE 88 + HD1 TRP 82 OK 18 99 - 18 - 6563/3.9=8, ~6566=3...(4) QE PHE 70 - HD1 TRP 82 lone 9 94 - 9 - 6563/3.9=2, 4818=2, 4796/5316=1 HZ PHE 88 - HD1 TRP 82 lone 4 71 - 5 - 6566/2.6=2 HE22 GLN 48 - HD1 TRP 82 lone 3 73 - 4 - 6563/3.9=1 Peak 6567 from cnoeabs.peaks (1.38, 2.54, 30.57 ppm; 4.81 A): 4 out of 7 assignments used, quality = 0.93: HG12 ILE 37 + HB2 TRP 82 OK 84 92 - 92 - 2.1/5278=39, 1.8/6568=29...(16) QB ALA 78 + HB2 TRP 82 OK 41 76 - 55 - 6435/3.9=15, 6569/1.8=13...(12) HG2 LYS 41 + HB2 TRP 82 OK 19 78 - 24 - 6569/1.8=6, 3.0/6568=3...(8) HB3 LEU 53 + HB2 TRP 82 OK 11 95 - 11 - 6569/1.8=3, 4727/3.9=2...(4) HG3 LYS 45 - HB2 TRP 82 poor 7 65 - 11 - 6569/1.8=3, 6576/4.0=2...(4) HG12 ILE 93 - HB2 TRP 82 lone 7 89 - 8 - 3823/4.3=4, 4737/6557=1 HB VAL 68 - HB2 TRP 82 lone 6 78 - 8 - 3.0/4483=2, 6476/4482=1, ~4485=1 Peak 6568 from cnoeabs.peaks (1.17, 2.54, 30.57 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.94: HG13 ILE 37 + HB2 TRP 82 OK 93 99 - 95 - 2.1/5278=40, 5280=35...(17) HB3 LYS 41 + HB2 TRP 82 OK 13 71 - 18 - ~6569=5, 2075/1.8=4...(5) HB2 LEU 21 - HB2 TRP 82 lone 5 93 - 6 - 6478/4482=2, 1445/4.3=1 HB3 LEU 21 - HB2 TRP 82 lone 5 90 - 6 - 6478/4482=1, 1445/4.3=1 HG13 ILE 27 - HB2 TRP 82 lone 3 97 - 3 - QG2 THR 15 - HB2 TRP 82 lone 3 93 - 3 - Peak 6569 from cnoeabs.peaks (1.39, 3.09, 30.57 ppm; 4.90 A): 4 out of 7 assignments used, quality = 0.76: QB ALA 78 + HB3 TRP 82 OK 60 100 - 60 - 6435/3.9=22, 6576/4.0=14...(12) HG2 LYS 41 + HB3 TRP 82 OK 25 100 - 25 - 3.0/2075=5, 6576/4.0=4...(8) HB3 LEU 53 + HB3 TRP 82 OK 12 100 - 12 - 4727/3.9=2, 6576/4.0=2...(4) HG3 LYS 45 + HB3 TRP 82 OK 11 98 - 11 - 6576/4.0=2, 6570/3.9=2...(5) HD3 LYS 86 - HB3 TRP 82 poor 10 63 - 15 - 6573/5.3=5, ~6579=3...(5) HG2 LYS 61 - HB3 TRP 82 lone 4 65 - 6 - HG3 LYS 61 - HB3 TRP 82 lone 4 63 - 6 - Peak 6570 from cnoeabs.peaks (1.39, 5.26, 126.58 ppm; 4.77 A): 4 out of 5 assignments used, quality = 0.90: QB ALA 78 + HD1 TRP 82 OK 75 98 - 76 - 6435=30, 2.1/6434=28...(14) HG12 ILE 37 + HD1 TRP 82 OK 45 60 - 76 - 2.1/5315=39, 1.8/5316=28...(10) HG2 LYS 41 + HD1 TRP 82 OK 19 99 - 19 - 6569/3.9=5, 6573/2.6=3...(6) HB3 LEU 53 + HD1 TRP 82 OK 12 100 - 12 - 6569/3.9=3, 6567/3.9=2...(6) HG3 LYS 45 - HD1 TRP 82 lone 9 94 - 9 - 6569/3.9=2, 6573/2.6=2...(4) Peak 6579 from cnoeabs.peaks (2.68, 4.36, 59.12 ppm; 4.50 A): 0 out of 3 assignments used, low quality = 0.16: HB3 PHE 17 - HA TRP 82 OK 16 60 - 27 - 1.8/4661=8, 3.0/4659=6...(7) HE3 LYS 86 - HA TRP 82 lone 4 92 - 4 - ~6569=1, 4.7/7091=1 HB2 ASP 12 - HA TRP 82 lone 3 92 - 3 - ~375=2 Peak 6580 from cnoeabs.peaks (0.34, 4.36, 59.12 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 37 + HA TRP 82 OK 90 99 - 91 - 5278/3.0=32, 6584/3.0=28...(20) HG13 ILE 80 + HA TRP 82 OK 42 76 - 56 - 6578/3.0=13, 6582/3.0=12...(13) Peak 6581 from cnoeabs.peaks (0.85, 2.54, 30.57 ppm; 4.91 A): 2 out of 10 assignments used, quality = 0.96: QG2 ILE 37 + HB2 TRP 82 OK 90 100 - 90 - 3.3/5278=34, 3.2/6568=24...(20) QG2 ILE 80 + HB2 TRP 82 OK 64 100 - 65 - 4.4/6548=14, 3.2/6582=13...(13) QG2 VAL 30 - HB2 TRP 82 OK 29 100 - 29 - 6583/1.8=4, ~4425=4...(8) QG1 VAL 30 - HB2 TRP 82 OK 29 99 - 29 - 6583/1.8=4, ~4425=4...(8) QG2 ILE 16 - HB2 TRP 82 OK 22 89 - 25 - 6609/4.3=4, 6583/1.8=3...(8) QD2 LEU 62 - HB2 TRP 82 OK 12 98 - 11 - 6583/1.8=2, 6609/4.3=2...(5) QG1 VAL 18 - HB2 TRP 82 lone 6 76 - 8 - 4687/4.3=3 QG2 VAL 25 - HB2 TRP 82 lone 4 60 - 6 - 6609/4.3=1 QG2 THR 42 - HB2 TRP 82 lone 4 63 - 6 - QD1 ILE 51 - HB2 TRP 82 lone 3 71 - 5 - Peak 6582 from cnoeabs.peaks (0.35, 2.54, 30.57 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 37 + HB2 TRP 82 OK 90 100 - 90 - 5278=41, 6584/1.8=27...(20) HG13 ILE 80 + HB2 TRP 82 OK 40 87 - 46 - 6584/1.8=11, 6578/4.0=7...(12) Peak 6583 from cnoeabs.peaks (0.84, 3.09, 30.57 ppm; 5.08 A): 2 out of 9 assignments used, quality = 0.97: QG2 ILE 37 + HB3 TRP 82 OK 92 99 - 93 - 3.3/6584=30, ~5278=25...(22) QG2 ILE 80 + HB3 TRP 82 OK 65 100 - 65 - 3.2/6584=13, 4.4/6547=11...(14) QG2 VAL 30 - HB3 TRP 82 OK 33 100 - 33 - 3.2/4425=7, 6581/1.8=5...(10) QG1 VAL 30 - HB3 TRP 82 OK 33 100 - 33 - 3.2/4425=7, 6581/1.8=5...(10) QG2 ILE 16 - HB3 TRP 82 OK 25 96 - 26 - 6609/4.3=4, 6581/1.8=4...(9) QD2 LEU 62 - HB3 TRP 82 OK 14 100 - 13 - 6581/1.8=2, 6609/4.3=2...(5) QG2 ILE 40 - HB3 TRP 82 lone 6 68 - 9 - 6609/4.3=2, 5391/6.4=1 QG2 VAL 25 - HB3 TRP 82 lone 6 73 - 8 - 6609/4.3=1, 4836/6563=1 QG1 VAL 18 - HB3 TRP 82 lone 5 63 - 8 - 4687/4.3=2 Peak 6584 from cnoeabs.peaks (0.35, 3.09, 30.57 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.93: QD1 ILE 37 + HB3 TRP 82 OK 89 100 - 89 - 5278/1.8=31, 5277=30...(21) HG13 ILE 80 + HB3 TRP 82 OK 37 87 - 43 - 6582/1.8=11, 6578/4.0=7...(13) Peak 6586 from cnoeabs.peaks (0.34, 5.26, 126.58 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 37 + HD1 TRP 82 OK 88 97 - 91 - 5315=42, 5278/3.9=25...(19) HG13 ILE 80 + HD1 TRP 82 OK 31 65 - 48 - 6582/3.9=9, 6584/3.9=9...(12) Peak 6592 from cnoeabs.peaks (6.89, 7.55, 131.99 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 34 + QD PHE 83 OK 87 98 - 89 - 5212/2.4=24, 2.2/4813=24...(22) HZ PHE 34 + QD PHE 83 OK 87 100 - 87 - 2.2/4678=21, 6594/2.4=20...(18) Peak 6593 from cnoeabs.peaks (6.98, 3.48, 40.44 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 83 + HB3 PHE 83 OK 100 100 - 100 - 4.4=100 Peak 6594 from cnoeabs.peaks (6.88, 3.48, 40.44 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.97: QE PHE 34 + HB3 PHE 83 OK 84 100 - 84 - 5212=21, 6597/1.8=20...(18) HZ PHE 34 + HB3 PHE 83 OK 81 99 - 82 - 6597/1.8=19, 2.2/5212=18...(16) Peak 6595 from cnoeabs.peaks (6.22, 3.48, 40.44 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.93: QE TYR 33 + HB3 PHE 83 OK 83 100 - 84 - 5156=37, 5158/2.4=26...(12) QD PHE 88 + HB3 PHE 83 OK 59 99 - 59 - 6598/1.8=19, 4732/2.4=15...(11) Peak 6596 from cnoeabs.peaks (6.98, 3.43, 40.44 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 83 + HB2 PHE 83 OK 100 100 - 100 - 4.4=100 Peak 6597 from cnoeabs.peaks (6.88, 3.43, 40.44 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.96: QE PHE 34 + HB2 PHE 83 OK 83 100 - 83 - 5212/1.8=20, 4731/2.4=20...(19) HZ PHE 34 + HB2 PHE 83 OK 77 96 - 80 - 6594/1.8=19, 4731/2.4=16...(18) Peak 6598 from cnoeabs.peaks (6.22, 3.43, 40.44 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.92: QE TYR 33 + HB2 PHE 83 OK 79 100 - 80 - 5156/1.8=34, 5158/2.4=25...(12) QD PHE 88 + HB2 PHE 83 OK 61 100 - 61 - 4732/2.4=16, 6595/1.8=16...(12) Peak 6599 from cnoeabs.peaks (4.27, 7.55, 131.99 ppm; 4.80 A): 4 out of 7 assignments used, quality = 0.93: HA ALA 79 + QD PHE 83 OK 82 99 - 83 - 6467/2.2=18, 2.1/4735=17...(26) HA3 GLY 85 + QD PHE 83 OK 29 96 - 30 - 3.6/6671=15, 1208/4.4=5...(5) HD2 PRO 73 + QD PHE 83 OK 28 100 - 27 - 6320/2.4=6, 3.0/4734=4...(8) HA VAL 68 + QD PHE 83 OK 17 62 - 28 - ~4719=6, ~6163=4...(10) HA LYS 63 - QD PHE 83 lone 10 100 - 10 - 1208/4.4=2 HA ASP 32 - QD PHE 83 poor 7 60 - 12 - 4802/2.2=2, 3.0/1084=2...(5) HA GLU 58 - QD PHE 83 lone 5 98 - 5 - 1208/4.4=1 Peak 6600 from cnoeabs.peaks (7.43, 3.41, 39.73 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 34 + HB2 PHE 34 OK 100 100 - 100 - 2.4=100 Peak 6604 from cnoeabs.peaks (1.09, 3.43, 40.44 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.88: QG2 VAL 95 + HB2 PHE 83 OK 83 100 - 83 - 6884/1.8=33, 2.1/6613=17...(16) HG LEU 21 + HB2 PHE 83 OK 29 98 - 29 - 6605/1.8=10, 6603/4.0=7...(7) QG2 THR 99 - HB2 PHE 83 lone 9 95 - 9 - 6605/1.8=3, 7029/6878=2...(4) Peak 6605 from cnoeabs.peaks (1.09, 3.48, 40.44 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.90: QG2 VAL 95 + HB3 PHE 83 OK 85 100 - 86 - 6884=36, 6604/1.8=26...(16) HG LEU 21 + HB3 PHE 83 OK 32 98 - 33 - 6604/1.8=9, 6603/4.0=7...(9) QG2 THR 99 - HB3 PHE 83 lone 8 95 - 8 - 6604/1.8=3, 6632/4.3=1 Peak 6606 from cnoeabs.peaks (1.52, 3.48, 40.44 ppm; 5.10 A): 3 out of 10 assignments used, quality = 0.99: HG13 ILE 93 + HB3 PHE 83 OK 86 100 - 86 - 2.1/6838=40, ~6614=22...(15) HD2 LYS 86 + HB3 PHE 83 OK 70 76 - 92 - 3.4/7128=17, ~6674=16...(19) HG2 LYS 86 + HB3 PHE 83 OK 67 73 - 91 - 6674/2.4=19, 2.8/7128=19...(16) HG LEU 53 - HB3 PHE 83 OK 22 83 - 27 - ~6614=6, 2.1/6616=6...(8) HB3 LEU 62 - HB3 PHE 83 OK 14 99 - 14 - 3.1/6615=4, ~6613=4...(4) HG3 LYS 41 - HB3 PHE 83 OK 12 97 - 12 - ~4737=3, 4736/2.4=3...(5) HG2 LYS 94 - HB3 PHE 83 poor 10 95 - 10 - 6899/6884=3, 4736/2.4=2...(4) HB3 LYS 94 - HB3 PHE 83 lone 9 87 - 10 - 6899/6884=3, ~4736=1, 996/6668=1 HB3 LYS 63 - HB3 PHE 83 lone 7 97 - 7 - ~6599=1, ~4799=1 HG2 LYS 45 - HB3 PHE 83 lone 6 100 - 6 - ~4737=1, 4736/2.4=1 Peak 6607 from cnoeabs.peaks (1.66, 7.55, 131.99 ppm; 4.98 A): 3 out of 18 assignments used, quality = 0.94: QB ALA 79 + QD PHE 83 OK 84 99 - 85 - 2.1/4799=24, 6464/2.2=15...(27) HB ILE 40 + QD PHE 83 OK 43 82 - 52 - 3.2/5401=7, ~5407=6...(19) HG12 ILE 40 + QD PHE 83 OK 37 78 - 48 - 2.1/5401=9, 5407/2.2=7...(14) HB VAL 18 - QD PHE 83 OK 18 71 - 26 - ~4693=5, ~4697=5...(10) HG12 ILE 27 - QD PHE 83 OK 18 100 - 18 - ~1602=2, ~6615=2...(6) HB2 MET 50 - QD PHE 83 OK 15 95 - 15 - 2.9/4734=4, ~7128=2, 4834/2.2=1 HD2 LYS 94 - QD PHE 83 OK 11 92 - 12 - 2.9/4736=2, 6602/4.4=1 HD3 LYS 94 - QD PHE 83 OK 11 92 - 12 - 2.9/4736=2, 6602/4.4=1 HD3 LYS 63 - QD PHE 83 lone 8 85 - 9 - 7214/4800=2, 5.0/6599=1 HD2 LYS 61 - QD PHE 83 lone 7 85 - 8 - 7214/4800=1 HD3 LYS 61 - QD PHE 83 lone 7 85 - 8 - 7214/4800=1 HB3 LYS 61 - QD PHE 83 lone 6 100 - 5 - HD2 LYS 44 - QD PHE 83 lone 5 85 - 6 - HD3 LYS 44 - QD PHE 83 lone 5 82 - 6 - HG3 GLN 19 - QD PHE 83 lone 4 92 - 5 - HG3 ARG 57 - QD PHE 83 lone 4 87 - 5 - HG2 ARG 57 - QD PHE 83 lone 4 82 - 4 - HD3 LYS 35 - QD PHE 83 lone 3 76 - 4 - Peak 6613 from cnoeabs.peaks (0.99, 3.43, 40.44 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.94: QG1 VAL 95 + HB2 PHE 83 OK 91 99 - 91 - 2.1/6604=32, ~6884=29...(17) QD1 LEU 62 + HB2 PHE 83 OK 20 95 - 20 - 6615/1.8=4, 6633/4.3=3...(7) QB ALA 66 + HB2 PHE 83 OK 19 68 - 28 - 6615/1.8=8, 6608/4.0=6...(11) Peak 6614 from cnoeabs.peaks (0.78, 3.43, 40.44 ppm; 4.05 A): 3 out of 3 assignments used, quality = 0.88: QD1 ILE 93 + HB2 PHE 83 OK 78 99 - 78 - 6838/1.8=35, 6807/2.4=16...(20) QG1 VAL 25 + HB2 PHE 83 OK 31 97 - 32 - 6616/1.8=7, 4864/2.4=6...(13) QD1 LEU 53 + HB2 PHE 83 OK 22 95 - 23 - 5810/1.8=6, 4864/2.4=4...(9) Peak 6615 from cnoeabs.peaks (0.98, 3.48, 40.44 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.94: QG1 VAL 95 + HB3 PHE 83 OK 90 100 - 91 - 2.1/6884=36, 6891=28...(14) QB ALA 66 + HB3 PHE 83 OK 26 89 - 29 - 6608/4.0=6, 6891=5...(9) QD1 LEU 62 + HB3 PHE 83 OK 15 78 - 19 - 6613/1.8=5, 6633/4.3=3...(6) QD1 ILE 27 - HB3 PHE 83 poor 9 60 - 15 - ~4735=2, 6608/4.0=2...(6) Peak 6616 from cnoeabs.peaks (0.79, 3.48, 40.44 ppm; 4.16 A): 5 out of 5 assignments used, quality = 0.95: QD1 ILE 93 + HB3 PHE 83 OK 86 100 - 86 - 6838=40, 6614/1.8=22...(23) QG1 VAL 25 + HB3 PHE 83 OK 34 100 - 34 - 6614/1.8=9, 4864/2.4=6...(12) QD1 LEU 53 + HB3 PHE 83 OK 21 78 - 26 - 6614/1.8=6, 4864/2.4=4...(10) QG2 ILE 40 + HB3 PHE 83 OK 17 71 - 24 - ~5401=4, ~4735=4...(9) QG2 VAL 25 + HB3 PHE 83 OK 11 65 - 18 - ~6614=6, ~4864=5...(4) Peak 6617 from cnoeabs.peaks (1.50, 4.66, 59.51 ppm; 3.56 A): 2 out of 9 assignments used, quality = 0.83: HG2 LYS 86 + HA PHE 83 OK 70 100 - 70 - 6663=22, 1.8/6664=13...(12) HG13 ILE 93 + HA PHE 83 OK 44 81 - 55 - ~6838=11, 2.1/6816=11...(13) HG LEU 53 - HA PHE 83 lone 10 100 - 10 - ~6614=2, ~5810=2...(4) HG3 LYS 41 - HA PHE 83 lone 6 99 - 6 - 4736/3.7=1 HG2 LYS 94 - HA PHE 83 lone 5 99 - 5 - 994/6660=1 HB3 LEU 62 - HA PHE 83 lone 4 68 - 5 - ~6613=1 HG2 LYS 45 - HA PHE 83 lone 3 92 - 3 - HB3 LYS 63 - HA PHE 83 lone 2 60 - 3 - HG2 LYS 44 - HA PHE 83 lone 1 63 - 1 - Peak 6619 from cnoeabs.peaks (9.37, 4.46, 58.26 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.84: H VAL 95 + HA ASP 84 OK 84 100 - 84 - 6875=33, 6640/3.6=21...(11) Peak 6620 from cnoeabs.peaks (9.37, 3.19, 41.76 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.93: H VAL 95 + HB2 ASP 84 OK 93 100 - 93 - 6619/3.0=40, 6874=33...(12) Peak 6622 from cnoeabs.peaks (8.01, 4.46, 58.26 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.71: H LYS 86 + HA ASP 84 OK 67 100 - 68 - 398/3.6=32, 3.6/7165=20...(12) H GLY 22 + HA ASP 84 OK 10 93 - 11 - 1126/3.6=4, 60/6635=2, 60/6635=1 H LYS 63 - HA ASP 84 lone 9 93 - 9 - 4.4/7164=2, 1126/3.6=2 H PHE 34 - HA ASP 84 lone 5 73 - 7 - 1126/3.6=1, 719/3.0=1, ~4497=1 Peak 6624 from cnoeabs.peaks (9.38, 2.78, 41.76 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.94: H VAL 95 + HB3 ASP 84 OK 92 99 - 93 - 6620/1.8=43, 6619/3.0=41...(10) H VAL 95 + HB3 PHE 70 OK 28 98 - 29 - 6873=9, 3.9/6880=7...(5) Peak 6626 from cnoeabs.peaks (5.19, 4.46, 58.26 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.80: HA LYS 94 + HA ASP 84 OK 73 100 - 73 - 3.6/6619=28, 6864=23...(12) HA ILE 16 + HA ASP 84 OK 26 98 - 26 - 6627/3.6=8, 4579/6636=4...(9) Peak 6629 from cnoeabs.peaks (1.96, 4.46, 58.26 ppm; 3.97 A): 4 out of 10 assignments used, quality = 0.95: HB VAL 95 + HA ASP 84 OK 91 97 - 94 - 2.1/6635=32, 6877=27...(21) HB3 LYS 45 + HA ASP 84 OK 18 99 - 18 - 6630/3.0=3, 6646/3.6=3...(9) HB2 LYS 45 + HA ASP 84 OK 18 99 - 18 - 6630/3.0=3, 6646/3.6=3...(9) HG3 PRO 73 + HA ASP 84 OK 13 99 - 13 - 2.3/7165=3, 6630/3.0=2...(5) HB2 LYS 77 - HA ASP 84 lone 6 78 - 8 - ~4472=3, ~1198=2, 6628/2.9=1 HG3 PRO 49 - HA ASP 84 lone 5 90 - 6 - 6630/3.0=1, 6628/2.9=1 HG2 GLN 19 - HA ASP 84 lone 4 85 - 5 - HB2 GLU 65 - HA ASP 84 lone 4 81 - 5 - 6646/3.6=2 HB3 GLU 28 - HA ASP 84 lone 2 78 - 3 - HG3 PRO 74 - HA ASP 84 lone 2 63 - 3 - 6646/3.6=1 Peak 6630 from cnoeabs.peaks (1.96, 3.19, 41.76 ppm; 4.02 A): 4 out of 10 assignments used, quality = 0.93: HB VAL 95 + HB2 ASP 84 OK 89 97 - 91 - 6879=28, 3.9/6620=21...(18) HB2 LYS 45 + HB2 ASP 84 OK 17 99 - 17 - 6629/3.0=3, 6631/1.8=3...(6) HB3 LYS 45 + HB2 ASP 84 OK 17 99 - 17 - 6629/3.0=3, 6631/1.8=3...(6) HG3 PRO 73 + HB2 ASP 84 OK 11 99 - 11 - 6629/3.0=2, 6631/1.8=2...(5) HG3 PRO 49 - HB2 ASP 84 lone 7 90 - 8 - 6517/6639=2, 6631/1.8=1 HG2 GLN 19 - HB2 ASP 84 lone 4 85 - 5 - HB2 LYS 77 - HB2 ASP 84 lone 4 78 - 5 - 6629/3.0=1, 6628/4.0=1 HB2 GLU 65 - HB2 ASP 84 lone 3 81 - 4 - 6646/4.5=1 HB3 GLU 28 - HB2 ASP 84 lone 2 78 - 2 - HG3 PRO 74 - HB2 ASP 84 lone 2 63 - 3 - 6646/4.5=1 Peak 6631 from cnoeabs.peaks (1.95, 2.78, 41.76 ppm; 4.36 A): 2 out of 12 assignments used, quality = 0.96: HB VAL 95 + HB3 ASP 84 OK 94 100 - 94 - 6880=26, 6879/1.8=26...(17) HB VAL 95 + HB3 PHE 70 OK 37 99 - 37 - 6880=10, 2.1/6236=6...(10) HB3 LYS 45 - HB3 ASP 84 OK 21 100 - 21 - 6630/1.8=4, 6629/3.0=4...(7) HB2 LYS 45 - HB3 ASP 84 OK 21 100 - 21 - 6630/1.8=4, 6629/3.0=4...(7) HG3 PRO 73 - HB3 PHE 70 OK 19 99 - 20 - ~6224=5, 4530/4527=4...(7) HG3 PRO 73 - HB3 ASP 84 OK 14 100 - 14 - 6630/1.8=3, 6629/3.0=3...(6) HG3 PRO 49 - HB3 ASP 84 lone 9 99 - 9 - 6630/1.8=2, 6517/6518=1 HG3 PRO 49 - HB3 PHE 70 lone 4 97 - 4 - HG2 GLN 19 - HB3 ASP 84 lone 3 63 - 5 - 6630/1.8=1 HB3 LYS 45 - HB3 PHE 70 lone 2 99 - 2 - HB2 LYS 45 - HB3 PHE 70 lone 2 99 - 2 - HG2 GLN 19 - HB3 PHE 70 lone 1 60 - 2 - Peak 6635 from cnoeabs.peaks (1.09, 4.46, 58.26 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.87: QG2 VAL 95 + HA ASP 84 OK 85 98 - 87 - 6882=32, 4.0/6619=18...(21) HG LEU 21 + HA ASP 84 OK 18 95 - 19 - 6649/3.6=4, 6632/2.9=4...(7) QG2 THR 99 - HA ASP 84 lone 10 98 - 10 - 7029/6877=2, 6637/3.0=2...(5) Peak 6636 from cnoeabs.peaks (0.98, 4.46, 58.26 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.95: QG1 VAL 95 + HA ASP 84 OK 95 100 - 96 - 2.1/6635=36, 4.0/6619=33...(19) QD1 LEU 62 - HA ASP 84 OK 16 78 - 20 - 6638/3.0=4, 6633/2.9=4...(7) QB ALA 66 - HA ASP 84 lone 7 89 - 8 - 6633/2.9=3, 6638/3.0=3 QD1 ILE 27 - HA ASP 84 lone 1 60 - 2 - Peak 6637 from cnoeabs.peaks (1.08, 3.19, 41.76 ppm; 4.58 A): 3 out of 3 assignments used, quality = 0.94: QG2 VAL 95 + HB2 ASP 84 OK 91 95 - 96 - 6635/3.0=32, 4.0/6620=26...(20) HG LEU 21 + HB2 ASP 84 OK 23 89 - 27 - 6635/3.0=7, 6649/4.5=6...(7) QG2 THR 99 + HB2 ASP 84 OK 17 100 - 16 - 7029/6879=4, 6635/3.0=4...(6) Peak 6638 from cnoeabs.peaks (0.98, 3.19, 41.76 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.97: QG1 VAL 95 + HB2 ASP 84 OK 97 100 - 98 - 4.0/6620=32, 6636/3.0=30...(20) QD1 LEU 62 - HB2 ASP 84 OK 18 78 - 22 - 2.1/6639=6, 6636/3.0=5...(6) QB ALA 66 - HB2 ASP 84 OK 12 89 - 14 - 6633/4.0=3, 6636/3.0=2...(5) QD1 ILE 27 - HB2 ASP 84 lone 2 60 - 3 - Peak 6639 from cnoeabs.peaks (0.85, 3.19, 41.76 ppm; 4.10 A): 4 out of 10 assignments used, quality = 0.71: QG2 ILE 80 + HB2 ASP 84 OK 57 100 - 58 - 6519=15, 6518/1.8=13...(12) QD2 LEU 62 + HB2 ASP 84 OK 15 98 - 15 - 2.1/6638=3, ~6636=2...(7) QG2 ILE 16 + HB2 ASP 84 OK 12 89 - 14 - ~6626=3, 6903/6620=2...(6) QG2 VAL 30 + HB2 ASP 84 OK 10 100 - 10 - 6238/1.8=2, 1660/4.0=1 QG1 VAL 30 - HB2 ASP 84 lone 10 99 - 10 - 1665/4.0=2, 6238/1.8=1 QG2 ILE 37 - HB2 ASP 84 lone 8 100 - 8 - 6634/4.0=2 QG1 VAL 18 - HB2 ASP 84 lone 6 76 - 8 - 4715/6885=3, 6904/6879=1 QD1 ILE 51 - HB2 ASP 84 lone 5 71 - 6 - 5710/4.0=2, 5739/1.8=2 QG2 VAL 25 - HB2 ASP 84 lone 2 60 - 4 - QG2 THR 42 - HB2 ASP 84 lone 2 63 - 3 - Peak 6642 from cnoeabs.peaks (4.46, 3.88, 45.91 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.93: HA ASP 84 + HA2 GLY 85 OK 85 100 - 85 - 4345/3.0=38, 7165=37...(10) HA LYS 86 + HA2 GLY 85 OK 47 100 - 47 - ~398=16, ~1126=13...(6) HA THR 46 + HA2 GLY 85 OK 11 97 - 11 - 6643/1.8=3, 395/3.0=3...(4) HA PHE 88 - HA2 GLY 85 lone 5 76 - 6 - 3.0/6650=2, 6643/1.8=1 HA THR 59 - HA2 GLY 85 lone 1 63 - 1 - Peak 6643 from cnoeabs.peaks (4.47, 4.26, 45.91 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.90: HA ASP 84 + HA3 GLY 85 OK 78 97 - 80 - 4345/3.0=38, 7165/1.8=29...(10) HA LYS 86 + HA3 GLY 85 OK 48 99 - 48 - ~398=17, ~1126=13...(7) HA THR 46 + HA3 GLY 85 OK 12 100 - 12 - 6642/1.8=3, 395/3.0=3...(4) HA PHE 88 - HA3 GLY 85 lone 6 93 - 6 - ~6650=1, 6642/1.8=1, 3.0/6653=1 HA LYS 86 - HA3 GLY 64 lone 4 57 - 6 - ~5979=2, ~288=1 HA ASP 84 - HA3 GLY 64 lone 2 55 - 3 - HA THR 46 - HA3 GLY 64 lone 1 59 - 2 - HA PHE 88 - HA3 GLY 64 lone 1 50 - 2 - Peak 6644 from cnoeabs.peaks (5.19, 4.26, 45.91 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.90: HA LYS 94 + HA3 GLY 85 OK 76 100 - 76 - 6870/3.0=36, 6863/1.8=29...(12) HA ILE 16 + HA3 GLY 85 OK 53 100 - 53 - 6645/1.8=16, 6627/3.0=13...(11) HA LYS 94 + HA3 GLY 64 OK 10 59 - 18 - ~6859=4, ~3864=3, ~291=2...(5) HA ILE 16 - HA3 GLY 64 lone 5 58 - 9 - ~5991=1, 4580/5997=1, 4.2/4610=1 Peak 6645 from cnoeabs.peaks (5.18, 3.88, 45.91 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.90: HA LYS 94 + HA2 GLY 85 OK 80 100 - 80 - 6870/3.0=35, 6863=29...(10) HA ILE 16 + HA2 GLY 85 OK 50 100 - 50 - 6644/1.8=14, 6627/3.0=13...(10) Peak 6650 from cnoeabs.peaks (2.18, 3.88, 45.91 ppm; 5.30 A): 4 out of 10 assignments used, quality = 0.52: HG2 GLU 65 + HA2 GLY 85 OK 20 93 - 22 - ~6006=6, 6653/1.8=3...(8) HB3 PRO 92 + HA2 GLY 85 OK 18 98 - 19 - 1.8/6651=5, 6653/1.8=5...(5) HG3 PRO 92 + HA2 GLY 85 OK 17 100 - 18 - 2.3/6651=5, 6653/1.8=4...(4) HB2 PRO 73 + HA2 GLY 85 OK 11 92 - 12 - 3.8/6339=5, 6653/1.8=4, ~6646=2 HB2 PHE 88 - HA2 GLY 85 lone 8 100 - 7 - 6653/1.8=2, 3.0/6642=1, ~6643=1 HB3 LYS 35 - HA2 GLY 85 lone 6 87 - 7 - 3.8/1168=3, 6653/1.8=1 HG3 GLU 87 - HA2 GLY 85 lone 4 85 - 4 - 6688/6642=1 HB3 GLU 58 - HA2 GLY 85 lone 3 78 - 4 - HB VAL 30 - HA2 GLY 85 lone 3 93 - 3 - HB3 GLN 48 - HA2 GLY 85 lone 2 89 - 3 - Peak 6651 from cnoeabs.peaks (1.85, 3.88, 45.91 ppm; 5.32 A): 7 out of 11 assignments used, quality = 0.80: HB ILE 16 + HA2 GLY 85 OK 44 100 - 44 - 3.0/6645=14, 6654/1.8=10...(9) HB2 PRO 74 + HA2 GLY 85 OK 23 90 - 25 - 3.0/6339=6, 6654/1.8=5...(8) HB2 PRO 92 + HA2 GLY 85 OK 21 93 - 24 - 1.8/6650=8, 2.3/6650=7...(4) HB3 GLU 65 + HA2 GLY 85 OK 14 60 - 24 - 3.0/6650=8, ~6006=5...(7) HB ILE 37 + HA2 GLY 85 OK 12 100 - 12 - 6654/1.8=3, ~5282=2...(6) HB2 LYS 44 + HA2 GLY 85 OK 12 99 - 11 - ~5544=3, 6654/1.8=3...(4) HB3 LYS 44 + HA2 GLY 85 OK 11 97 - 11 - ~5544=3, 6654/1.8=2...(4) HB2 LYS 63 - HA2 GLY 85 poor 7 63 - 12 - 2896/3.6=3, 6654/1.8=2...(4) HB2 LYS 61 - HA2 GLY 85 lone 4 92 - 4 - HB ILE 27 - HA2 GLY 85 lone 3 95 - 3 - HD3 LYS 77 - HA2 GLY 85 lone 2 93 - 3 - Peak 6652 from cnoeabs.peaks (1.50, 3.88, 45.91 ppm; 5.34 A): 4 out of 8 assignments used, quality = 0.81: HG2 LYS 94 + HA2 GLY 85 OK 49 97 - 51 - 4.0/6645=19, 7130/3.0=9...(8) HG2 LYS 86 + HA2 GLY 85 OK 47 100 - 48 - 3582/3.6=26, 4.0/6642=12...(8) HG13 ILE 93 + HA2 GLY 85 OK 17 68 - 25 - 994/3.6=7, 7130/3.0=6...(6) HG2 LYS 45 + HA2 GLY 85 OK 13 83 - 15 - ~6646=3, ~5551=3...(6) HG3 LYS 41 - HA2 GLY 85 lone 8 95 - 9 - 994/3.6=2, 7130/3.0=2 HG2 LYS 44 - HA2 GLY 85 poor 8 76 - 11 - 2.9/6651=3, 2.9/6651=3, ~6654=2 HG LEU 53 - HA2 GLY 85 lone 6 100 - 6 - 994/3.6=2 HB2 LYS 41 - HA2 GLY 85 lone 6 68 - 8 - 994/3.6=2, ~7130=2, ~6655=1 Peak 6653 from cnoeabs.peaks (2.16, 4.26, 45.91 ppm; 5.48 A): 6 out of 18 assignments used, quality = 0.67: HB3 PRO 92 + HA3 GLY 85 OK 22 100 - 23 - 6650/1.8=7, ~6650=6...(5) HG3 PRO 92 + HA3 GLY 85 OK 21 98 - 21 - 6650/1.8=7, ~6650=6...(4) HB2 PRO 73 + HA3 GLY 85 OK 16 100 - 16 - 3.8/6340=5, 6650/1.8=4...(4) HG2 GLU 65 + HA3 GLY 85 OK 16 63 - 25 - 6650/1.8=8, 1.8/6006=8...(6) HG3 GLU 65 + HA3 GLY 85 OK 13 63 - 22 - ~6650=7, 6006=5...(6) HB3 LYS 35 + HA3 GLY 64 OK 12 58 - 20 - 1804/3.0=6, ~1794=5...(4) HB2 PHE 88 - HA3 GLY 85 lone 10 95 - 10 - 6650/1.8=3, 3.0/6643=2, ~6642=1 HG2 GLU 65 - HA3 GLY 64 poor 7 30 - 24 - 897/3.6=16, 1.8/6006=6 HG3 GLU 65 - HA3 GLY 64 poor 7 30 - 24 - 898/3.6=15, 6006/4.9=4, 6006=4 HB VAL 30 - HA3 GLY 64 poor 6 30 - 20 - ~4423=4, 897/3.6=4...(4) HB3 LYS 35 - HA3 GLY 85 lone 5 100 - 5 - 6650/1.8=2 HB3 GLU 58 - HA3 GLY 85 lone 5 99 - 5 - 6650/1.8=1 HB2 PHE 88 - HA3 GLY 64 lone 5 52 - 9 - 6720/5997=2, 6715/4906=1 HB3 PRO 92 - HA3 GLY 64 lone 4 58 - 7 - 4.1/4798=2 HG3 PRO 92 - HA3 GLY 64 lone 3 55 - 5 - HB VAL 30 - HA3 GLY 85 lone 3 63 - 4 - 6650/1.8=1 HB3 GLU 58 - HA3 GLY 64 lone 2 56 - 4 - HB2 PRO 73 - HA3 GLY 64 lone 2 59 - 3 - Peak 6654 from cnoeabs.peaks (1.85, 4.26, 45.91 ppm; 4.78 A): 6 out of 22 assignments used, quality = 0.73: HB ILE 16 + HA3 GLY 85 OK 39 100 - 39 - 3.0/6644=11, 6651/1.8=10...(8) HB2 PRO 74 + HA3 GLY 85 OK 19 90 - 21 - 6651/1.8=5, 3.0/6340=5...(6) HB2 PRO 92 + HA3 GLY 85 OK 17 93 - 19 - ~6650=5, 6651/1.8=5...(5) HB2 LYS 63 + HA3 GLY 64 OK 16 30 - 52 - ~289=18, 4261/3.0=12...(9) HB3 GLU 65 + HA3 GLY 85 OK 12 60 - 20 - 3.0/6006=5, ~6650=5...(6) HB ILE 37 + HA3 GLY 85 OK 11 100 - 11 - 6651/1.8=3, 3.0/5282=2...(5) HB2 LYS 44 - HA3 GLY 85 lone 10 99 - 9 - 6651/1.8=3, ~5544=2...(4) HB3 LYS 44 - HA3 GLY 85 lone 9 97 - 9 - 6651/1.8=3, ~5544=2...(4) HB2 LYS 63 - HA3 GLY 85 poor 9 63 - 14 - 2896/3.6=2, 3.9/2937=2...(6) HB ILE 37 - HA3 GLY 64 poor 7 59 - 12 - ~5989=2, 3.0/5282=2...(6) HB2 LYS 61 - HA3 GLY 64 poor 6 49 - 12 - ~5983=3, ~293=1, ~292=1 HB ILE 16 - HA3 GLY 64 lone 4 58 - 7 - ~5991=1, 3.0/6644=1, 3.2/4610=1 HB2 LYS 61 - HA3 GLY 85 lone 3 92 - 4 - HB ILE 27 - HA3 GLY 64 lone 3 52 - 6 - ~5984=1, ~5989=1 HD3 LYS 77 - HA3 GLY 64 lone 3 50 - 5 - HB2 PRO 92 - HA3 GLY 64 lone 3 50 - 5 - 4.1/4798=2 HD3 LYS 77 - HA3 GLY 85 lone 2 93 - 2 - HB ILE 27 - HA3 GLY 85 lone 2 95 - 2 - HB3 GLU 65 - HA3 GLY 64 lone 2 29 - 7 - 3.0/6006=4, 3.0/6653=1 HB2 LYS 44 - HA3 GLY 64 lone 2 57 - 3 - HB3 LYS 44 - HA3 GLY 64 lone 2 55 - 3 - HB2 PRO 74 - HA3 GLY 64 lone 1 48 - 2 - Peak 6655 from cnoeabs.peaks (1.50, 4.26, 45.91 ppm; 5.50 A): 5 out of 16 assignments used, quality = 0.92: HG2 LYS 94 + HA3 GLY 85 OK 57 100 - 57 - 4.0/6644=17, 7130/3.0=14...(10) HG2 LYS 86 + HA3 GLY 85 OK 51 97 - 53 - 3582/3.6=26, 6652/1.8=12...(9) HG13 ILE 93 + HA3 GLY 85 OK 29 90 - 33 - 7130/3.0=10, 6810/3.6=9...(9) HB3 LEU 62 + HA3 GLY 64 OK 28 41 - 70 - ~5964=16, ~5983=14...(14) HB3 LYS 63 + HA3 GLY 64 OK 26 36 - 71 - ~289=25, ~4261=20...(10) HG2 LYS 45 - HA3 GLY 85 OK 18 97 - 18 - ~6646=3, 6652/1.8=3...(6) HG2 LYS 94 - HA3 GLY 64 OK 15 59 - 26 - ~3884=4, ~3864=3, ~291=3...(8) HB3 LYS 63 - HA3 GLY 85 OK 14 73 - 20 - 2906/3.6=4, 3.9/2937=3...(8) HG13 ILE 93 - HA3 GLY 64 OK 14 48 - 30 - ~5992=8, ~4379=4...(9) HG3 LYS 41 - HA3 GLY 85 OK 12 100 - 12 - 7130/3.0=3, 994/3.6=2...(4) HB3 LEU 62 - HA3 GLY 85 OK 11 81 - 14 - 4256/3.6=3, 5950=3...(5) HG LEU 53 - HA3 GLY 85 lone 8 99 - 8 - 994/3.6=2, 6652/1.8=2 HG2 LYS 45 - HA3 GLY 64 poor 7 55 - 12 - 2277/3.0=3, ~2287=2, 1.8/2288=1 HG LEU 53 - HA3 GLY 64 poor 6 57 - 10 - ~5781=3, 7095/5717=3...(4) HG3 LYS 41 - HA3 GLY 64 lone 5 59 - 8 - ~7084=2, 2277/3.0=1, ~5473=1 HG2 LYS 86 - HA3 GLY 64 lone 5 55 - 9 - Peak 6656 from cnoeabs.peaks (1.11, 4.26, 45.91 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.82: QG2 VAL 95 + HA3 GLY 85 OK 53 95 - 56 - 6928/3.0=30, 6657/3.6=16...(9) HG LEU 21 + HA3 GLY 64 OK 38 55 - 69 - ~5994=19, ~5993=19...(12) HG LEU 21 + HA3 GLY 85 OK 31 98 - 32 - 6657/3.6=12, 6649/3.0=10...(6) QG2 THR 46 + HA3 GLY 85 OK 12 87 - 13 - 3.2/6643=3, 6649/3.0=3...(5) QG2 VAL 95 - HA3 GLY 64 poor 6 52 - 12 - 6926/3.0=3, 60/4835=2 QG2 THR 46 - HA3 GLY 64 lone 1 45 - 2 - Peak 6661 from cnoeabs.peaks (4.66, 2.07, 32.16 ppm; 4.32 A): 3 out of 4 assignments used, quality = 0.90: HA PHE 83 + HB2 LYS 86 OK 76 100 - 77 - 6663/2.8=20, 6662/1.8=18...(12) HA PRO 92 + HB2 LYS 86 OK 40 100 - 40 - 6662/1.8=9, 6663/2.8=9...(6) HA GLN 48 + HB2 LYS 86 OK 29 96 - 29 - 6662/1.8=7, 6663/2.8=6...(7) HB THR 26 - HB2 LYS 86 lone 3 65 - 4 - 6660/4.0=1 Peak 6662 from cnoeabs.peaks (4.65, 2.28, 32.16 ppm; 4.08 A): 4 out of 8 assignments used, quality = 0.90: HA PHE 83 + HB3 LYS 86 OK 74 99 - 76 - 6663/2.8=18, 6661/1.8=18...(12) HA PRO 92 + HB3 LYS 86 OK 39 100 - 39 - 6661/1.8=9, 6663/2.8=8...(7) HA GLN 48 + HB3 LYS 86 OK 27 89 - 29 - 6661/1.8=7, 6663/2.8=5...(8) HA GLN 48 + HG2 MET 50 OK 12 73 - 17 - 4.8/5685=10, 3.8/5682=4...(4) HA ASP 56 - HB3 LYS 86 poor 10 57 - 17 - 4800/4734=3, 6664/2.8=3...(6) HA PHE 83 - HG2 MET 50 lone 6 85 - 6 - 3.7/4734=2, 3.0/7128=2 HA PRO 92 - HG2 MET 50 lone 1 88 - 1 - HA ASP 56 - HG2 MET 50 lone 1 45 - 2 - Peak 6663 from cnoeabs.peaks (4.65, 1.50, 25.90 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.86: HA PHE 83 + HG2 LYS 86 OK 74 99 - 75 - 6617=24, 6664/1.8=16...(12) HA PRO 92 + HG2 LYS 86 OK 33 100 - 33 - 6664/1.8=9, 6661/2.8=7...(6) HA GLN 48 + HG2 LYS 86 OK 21 89 - 23 - 6661/2.8=5, 6664/1.8=5...(6) HA ASP 56 - HG2 LYS 86 poor 9 57 - 15 - 6664/1.8=3, 4800/6674=3...(7) Peak 6664 from cnoeabs.peaks (4.64, 1.25, 25.90 ppm; 3.93 A): 4 out of 5 assignments used, quality = 0.80: HA PHE 83 + HG3 LYS 86 OK 60 89 - 68 - 6663/1.8=20, 6665/3.0=13...(11) HA PRO 92 + HG3 LYS 86 OK 31 95 - 33 - 6663/1.8=9, 6665/3.0=7...(6) HA GLN 48 + HG3 LYS 86 OK 17 68 - 25 - 6663/1.8=6, 6661/2.8=5...(7) HA ASP 56 + HG3 LYS 86 OK 12 81 - 15 - 4800/6675=3, 6663/1.8=2...(8) HA ASN 13 - HG3 LYS 86 lone 1 71 - 2 - Peak 6665 from cnoeabs.peaks (4.65, 1.54, 27.73 ppm; 4.27 A): 4 out of 4 assignments used, quality = 0.88: HA PHE 83 + HD2 LYS 86 OK 70 96 - 74 - 6663/3.0=19, 6664/3.0=16...(12) HA PRO 92 + HD2 LYS 86 OK 38 99 - 39 - 6666/1.8=9, 6664/3.0=9...(7) HA GLN 48 + HD2 LYS 86 OK 23 81 - 29 - 6666/1.8=6, 6663/3.0=5...(8) HA ASP 56 + HD2 LYS 86 OK 13 68 - 19 - 6664/3.0=3, 4800/6676=3...(9) Peak 6666 from cnoeabs.peaks (4.65, 1.42, 27.73 ppm; 4.13 A): 5 out of 8 assignments used, quality = 0.89: HA PHE 83 + HD3 LYS 86 OK 70 99 - 71 - 6663/3.0=18, 6665/1.8=17...(11) HA PRO 92 + HD3 LYS 86 OK 38 100 - 38 - 6665/1.8=10, 6663/3.0=8...(7) HA GLN 48 + HD3 LYS 86 OK 25 89 - 28 - 6665/1.8=6, 6663/3.0=5...(8) HA GLN 48 + HG13 ILE 51 OK 13 76 - 16 - ~5610=4, 4.8/7190=2...(10) HA ASP 56 + HD3 LYS 86 OK 11 57 - 19 - 6665/1.8=3, 6664/3.0=3...(8) HA PHE 83 - HG13 ILE 51 lone 5 88 - 6 - ~5738=1, 3.7/6677=1 HA PRO 92 - HG13 ILE 51 lone 5 91 - 5 - HA ASP 56 - HG13 ILE 51 lone 3 47 - 6 - ~250=2, 3.0/5886=2 Peak 6672 from cnoeabs.peaks (7.56, 2.07, 32.16 ppm; 4.78 A): 3 out of 3 assignments used, quality = 0.92: QD PHE 83 + HB2 LYS 86 OK 83 99 - 84 - 4734/1.8=26, 3.7/6661=17...(12) H ILE 80 + HB2 LYS 86 OK 43 99 - 43 - 6673/1.8=9, 6676/3.4=8...(8) HE21 GLN 48 + HB2 LYS 86 OK 21 87 - 23 - 6676/3.4=4, 5.9/6661=4...(7) Peak 6673 from cnoeabs.peaks (7.55, 2.28, 32.16 ppm; 4.40 A): 4 out of 8 assignments used, quality = 0.93: QD PHE 83 + HB3 LYS 86 OK 85 100 - 86 - 4734=29, 6674/2.8=19...(14) H ILE 80 + HB3 LYS 86 OK 37 89 - 42 - 6672/1.8=9, 6675/2.8=7...(10) HE21 GLN 48 + HB3 LYS 86 OK 14 65 - 21 - 6672/1.8=5, 6676/3.4=3...(7) QD PHE 83 + HG2 MET 50 OK 13 88 - 15 - 4734=4, 4735/2.9=3, 2.4/7128=2 H TYR 33 - HB3 LYS 86 lone 7 71 - 9 - 6674/2.8=2, 4.6/3572=2 H ILE 80 - HG2 MET 50 lone 2 73 - 3 - H TYR 33 - HG2 MET 50 lone 2 57 - 3 - HE21 GLN 48 - HG2 MET 50 lone 1 52 - 3 - 5.9/6662=1 Peak 6674 from cnoeabs.peaks (7.54, 1.50, 25.90 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.85: QD PHE 83 + HG2 LYS 86 OK 79 95 - 84 - 4734/2.8=21, 2.4/7127=21...(12) H ILE 80 + HG2 LYS 86 OK 26 65 - 40 - 6675/1.8=9, 6673/2.8=8...(8) H TYR 33 - HG2 LYS 86 lone 8 92 - 9 - 4.6/3582=2, 6675/1.8=2 Peak 6675 from cnoeabs.peaks (7.55, 1.25, 25.90 ppm; 5.07 A): 3 out of 4 assignments used, quality = 0.94: QD PHE 83 + HG3 LYS 86 OK 88 100 - 88 - 6674/1.8=29, 4734/2.8=24...(12) H ILE 80 + HG3 LYS 86 OK 43 89 - 49 - 6672/2.8=10, 6676/3.0=10...(8) HE21 GLN 48 + HG3 LYS 86 OK 17 65 - 25 - 6672/2.8=5, 6676/3.0=5...(7) H TYR 33 - HG3 LYS 86 poor 9 71 - 12 - 6674/1.8=3, 4.6/3592=3...(5) Peak 6676 from cnoeabs.peaks (7.56, 1.54, 27.73 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.94: QD PHE 83 + HD2 LYS 86 OK 86 99 - 87 - 4734/3.4=22, 6677/1.8=21...(12) H ILE 80 + HD2 LYS 86 OK 47 99 - 48 - 6677/1.8=11, 6672/3.4=10...(8) HE21 GLN 48 + HD2 LYS 86 OK 23 87 - 26 - 6672/3.4=5, 6677/1.8=5...(7) Peak 6677 from cnoeabs.peaks (7.56, 1.42, 27.73 ppm; 4.74 A): 3 out of 8 assignments used, quality = 0.91: QD PHE 83 + HD3 LYS 86 OK 82 100 - 82 - 4734/3.4=20, 6674/3.0=20...(11) H ILE 80 + HD3 LYS 86 OK 43 95 - 45 - 6676/1.8=10, 6672/3.4=9...(8) HE21 GLN 48 + HD3 LYS 86 OK 19 76 - 24 - 6676/1.8=5, 6672/3.4=4...(8) QD PHE 83 - HG13 ILE 51 poor 9 92 - 10 - ~5738=2, ~5730=1...(4) H ILE 80 - HG13 ILE 51 lone 7 83 - 8 - 958/3.0=2, 6497/5757=1 H TYR 33 - HD3 LYS 86 lone 5 60 - 9 - 6674/3.0=2, 6675/3.0=2...(4) H TYR 33 - HG13 ILE 51 lone 4 50 - 9 - 5163/3.0=2, 5164/2.1=2 HE21 GLN 48 - HG13 ILE 51 lone 3 64 - 5 - 4.6/5737=2, 5.9/6666=1 Peak 6678 from cnoeabs.peaks (8.49, 2.28, 32.16 ppm; 5.10 A): 3 out of 12 assignments used, quality = 0.92: H PHE 83 + HB3 LYS 86 OK 77 98 - 79 - 3.0/6662=18, 4.4/4734=18...(14) H THR 42 + HG2 MET 50 OK 55 75 - 73 - 4.6/5525=17, 5504/1.8=14...(11) H LEU 21 + HB3 LYS 86 OK 23 85 - 27 - 6693/4.6=9, 4.6/4352=8...(4) H THR 42 - HB3 LYS 86 OK 22 90 - 24 - 4.6/5464=4, 4.6/5466=4...(8) H TRP 82 - HB3 LYS 86 OK 13 99 - 13 - 1201/4734=3, 4.0/5684=2...(6) H ALA 98 - HB3 LYS 86 OK 13 95 - 13 - 6693/4.6=4, 6670/4.0=3...(4) H ASP 72 - HG2 MET 50 OK 11 83 - 14 - 3.6/2466=5, 334/1.8=3 H PHE 83 - HG2 MET 50 OK 11 84 - 12 - 4.4/4734=3, 4.0/7128=2...(4) H ALA 98 - HG2 MET 50 OK 10 80 - 13 - 4.6/2465=5, 456/5.0=2 H ASP 72 - HB3 LYS 86 lone 8 97 - 8 - 6693/4.6=2, 6670/4.0=1 H TRP 82 - HG2 MET 50 lone 6 87 - 6 - 4.0/5684=1 H LEU 21 - HG2 MET 50 lone 5 70 - 7 - 4.6/4352=1 Peak 6680 from cnoeabs.peaks (8.88, 1.42, 27.73 ppm; 5.49 A): 3 out of 4 assignments used, quality = 0.81: H MET 50 + HG13 ILE 51 OK 70 90 - 77 - 5709/2.1=33, 1098/5.2=31...(13) H PHE 97 + HG13 ILE 51 OK 24 89 - 26 - 5709/2.1=11, 221/5.2=7 H MET 50 + HD3 LYS 86 OK 18 100 - 18 - 815/3.4=5, 4.6/2514=3...(5) H PHE 97 - HD3 LYS 86 lone 4 99 - 4 - Peak 6681 from cnoeabs.peaks (1.67, 2.45, 42.29 ppm; 4.17 A): 9 out of 36 assignments used, quality = 0.86: HB3 LYS 61 + HB3 ASP 56 OK 27 69 - 40 - 3.6/5942=16, ~5882=6...(7) HD3 LYS 61 + HB3 ASP 56 OK 23 75 - 31 - 6.0/5942=8, 3.0/7111=5...(8) HD2 LYS 61 + HB3 ASP 56 OK 23 75 - 31 - 6.0/5942=8, 3.0/7111=5...(8) HD3 LYS 63 + HB3 ASP 56 OK 21 75 - 28 - ~7103=10, 7214/3.0=5...(7) HD3 LYS 94 + HE2 LYS 86 OK 17 100 - 17 - 2.9/3626=4, ~3636=2...(6) HD2 LYS 94 + HE2 LYS 86 OK 17 100 - 17 - 2.9/3626=4, ~3636=2...(6) HB3 LYS 61 + HE2 LYS 86 OK 16 93 - 17 - 3.6/5942=6, 1.8/6682=4...(4) HD2 LYS 61 + HE2 LYS 86 OK 15 98 - 15 - 6.0/5942=3, 3.9/6682=3...(4) HD3 LYS 61 + HE2 LYS 86 OK 15 98 - 15 - 6.0/5942=3, 3.9/6682=3...(4) HD3 LYS 63 - HE2 LYS 86 lone 9 98 - 8 - 3.0/7111=2, 3.0/7111=2 HG12 ILE 27 - HE2 LYS 86 lone 8 93 - 8 - 3.2/4972=3, 2.8/6682=2 HD2 LYS 44 - HE2 LYS 86 lone 7 98 - 7 - 3.0/3626=1, 3.8/6682=1 HD3 LYS 44 - HE2 LYS 86 lone 7 97 - 7 - 3.0/3626=1, 3.8/6682=1 QB ALA 79 - HE2 LYS 86 lone 6 100 - 6 - 3.7/5880=3 HD3 LYS 35 - HE2 LYS 86 lone 4 95 - 4 - HG3 GLN 19 - HE2 LYS 86 lone 3 71 - 5 - ~4734=1, ~4733=1, ~4732=1 QB ALA 79 - HB3 ASP 56 lone 3 79 - 4 - HD2 LYS 44 - HB3 ASP 56 lone 3 75 - 4 - HB2 MET 50 - HE2 LYS 86 lone 3 78 - 4 - HD3 LYS 44 - HB3 ASP 56 lone 3 74 - 4 - HD3 LYS 45 - HE2 LYS 86 lone 3 60 - 4 - HD2 LYS 94 - HB3 ASP 56 lone 2 78 - 3 - HD3 LYS 94 - HB3 ASP 56 lone 2 78 - 3 - HG12 ILE 27 - HB3 ASP 56 lone 2 69 - 3 - HB ILE 40 - HE2 LYS 86 lone 2 97 - 2 - HG3 ARG 57 - HB3 ASP 56 lone 2 76 - 2 - HG2 ARG 57 - HB3 ASP 56 lone 2 74 - 2 - HD3 LYS 35 - HB3 ASP 56 lone 2 71 - 2 - HG3 ARG 57 - HE2 LYS 86 lone 2 99 - 2 - HG2 ARG 57 - HE2 LYS 86 lone 2 97 - 2 - HB ILE 40 - HB3 ASP 56 lone 1 74 - 2 - HB2 MET 50 - HB3 ASP 56 lone 1 55 - 2 - HG12 ILE 39 - HE2 LYS 86 lone 1 83 - 1 - HG12 ILE 39 - HB3 ASP 56 lone 1 59 - 1 - HG3 GLN 19 - HB3 ASP 56 lone 1 49 - 1 - HD3 LYS 45 - HB3 ASP 56 lone 1 41 - 1 - Peak 6682 from cnoeabs.peaks (1.86, 2.45, 42.29 ppm; 4.64 A): 4 out of 22 assignments used, quality = 0.54: HB2 LYS 61 + HB3 ASP 56 OK 29 61 - 47 - 3.6/5942=19, ~5882=8...(9) HB2 LYS 61 + HE2 LYS 86 OK 17 85 - 20 - 3.6/5942=7, 3.0/7111=3...(6) HB2 PRO 92 + HE2 LYS 86 OK 12 97 - 12 - ~6665=6, ~6666=5 HB ILE 27 + HE2 LYS 86 OK 11 98 - 11 - 2.1/4972=5, 4.4/691=3...(4) HB2 LYS 63 - HB3 ASP 56 poor 9 51 - 18 - 2.9/7111=5, 2.9/7111=5...(5) HB ILE 37 - HB3 ASP 56 poor 8 80 - 10 - ~5286=1, 4.4/5881=1...(4) HB2 LYS 63 - HE2 LYS 86 lone 8 73 - 10 - 2.9/7111=2, 2.9/7111=2...(4) HB2 LYS 44 - HE2 LYS 86 lone 6 100 - 6 - 2.9/3626=1 HB ILE 37 - HE2 LYS 86 lone 6 100 - 6 - HB3 LYS 44 - HE2 LYS 86 lone 6 99 - 6 - 2.9/3626=1 HB ILE 16 - HB3 ASP 56 lone 4 80 - 4 - 5884/4.0=2 HB ILE 27 - HB3 ASP 56 lone 3 75 - 4 - 2.1/4972=1 HB2 LYS 44 - HB3 ASP 56 lone 3 79 - 3 - HB3 LYS 44 - HB3 ASP 56 lone 3 78 - 3 - HB ILE 16 - HE2 LYS 86 lone 2 100 - 2 - HD3 LYS 77 - HE2 LYS 86 lone 2 97 - 2 - HD3 LYS 77 - HB3 ASP 56 lone 2 74 - 3 - HB2 PRO 74 - HE2 LYS 86 lone 2 83 - 2 - HB2 GLU 87 - HE2 LYS 86 lone 2 65 - 3 - ~5737=1 HB2 PRO 74 - HB3 ASP 56 lone 2 59 - 3 - 3.9/5879=1 HB2 PRO 92 - HB3 ASP 56 lone 2 74 - 2 - HB2 GLU 87 - HB3 ASP 56 lone 1 45 - 2 - Peak 6684 from cnoeabs.peaks (3.92, 1.80, 36.11 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.57: HD3 PRO 92 + HG2 GLU 87 OK 57 98 - 58 - 3.6/7166=28, 3.8/6691=27...(4) HA2 GLY 38 - HG2 GLU 87 lone 2 100 - 2 - Peak 6685 from cnoeabs.peaks (3.62, 1.80, 36.11 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.77: HA2 GLY 90 + HG2 GLU 87 OK 77 87 - 89 - 1.8/6744=31, 6741=26...(13) HA ALA 76 - HG2 GLU 87 lone 4 78 - 5 - 6686/3.0=1, 6687/3.0=1 HB3 SER 69 - HG2 GLU 87 lone 2 98 - 2 - Peak 6686 from cnoeabs.peaks (3.61, 1.88, 31.71 ppm; 4.84 A): 4 out of 12 assignments used, quality = 0.91: HA2 GLY 90 + HB2 GLU 87 OK 87 99 - 87 - 6687/1.8=36, 6685/3.0=22...(12) HA2 GLY 90 + HB2 PRO 92 OK 16 68 - 24 - 3.6/7212=7, 6740=5...(9) HA2 GLY 90 + HB3 LYS 44 OK 13 53 - 25 - 6740=4, 6742/2.9=4...(10) HA2 GLY 90 + HB2 LYS 44 OK 11 45 - 25 - 6740=4, 6742/2.9=4...(9) HA ALA 76 - HB2 GLU 87 lone 6 97 - 5 - 6687/1.8=2, 6685/3.0=1 HA ALA 76 - HB3 LYS 44 lone 3 50 - 6 - 3.6/945=3 HA ALA 76 - HB2 LYS 44 lone 3 43 - 6 - 3.6/945=2 HB3 SER 69 - HB3 LYS 44 lone 2 37 - 5 - ~7144=1, 6195/2.9=1, ~6189=1 HB3 SER 69 - HB2 GLU 87 lone 2 81 - 2 - HB3 SER 69 - HB2 LYS 44 lone 2 32 - 5 - ~7144=1, 6195/2.9=1, ~6189=1 HA ALA 76 - HB2 PRO 92 lone 1 65 - 2 - HB3 SER 69 - HB2 PRO 92 lone 1 49 - 2 - Peak 6687 from cnoeabs.peaks (3.60, 1.56, 31.71 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.86: HA2 GLY 90 + HB3 GLU 87 OK 86 100 - 86 - 6742=24, 3.6/7213=24...(12) HA ALA 76 - HB3 GLU 87 lone 5 100 - 4 - 6686/1.8=1 Peak 6688 from cnoeabs.peaks (4.47, 2.20, 36.11 ppm; 4.80 A): 2 out of 8 assignments used, quality = 0.73: HA PHE 88 + HG3 GLU 87 OK 59 89 - 67 - 3.0/4363=27, ~4362=22...(7) HA LYS 86 + HG3 GLU 87 OK 34 100 - 34 - 3.6/1005=27, 3558/3.0=5...(4) HA LYS 86 - HG2 GLU 65 lone 6 96 - 6 - 3.6/1005=3 HA ASP 84 - HG3 GLU 87 lone 5 99 - 5 - 402/5.0=3 HA PHE 88 - HG2 GLU 65 lone 5 82 - 6 - 3.0/4363=3 HA THR 46 - HG3 GLU 87 lone 5 100 - 5 - 3.0/5558=1 HA ASP 84 - HG2 GLU 65 lone 5 95 - 5 - 7165/6650=2 HA THR 46 - HG2 GLU 65 lone 3 96 - 3 - Peak 6689 from cnoeabs.peaks (4.77, 2.20, 36.11 ppm; 4.34 A): 4 out of 8 assignments used, quality = 0.83: HA GLN 19 + HG2 GLU 65 OK 48 87 - 56 - 7138/3.9=21, 6007/1.8=16...(8) HA TYR 54 + HG2 GLU 65 OK 48 97 - 50 - 6007/1.8=15, 7141/5.0=10...(9) HA GLN 19 + HG3 GLU 87 OK 25 93 - 27 - 2.9/7176=8, 2.9/7177=7...(6) HA PHE 97 + HG2 GLU 65 OK 14 96 - 15 - 6007/1.8=4, 6005/3.9=3...(5) HA PHE 97 - HG3 GLU 87 lone 3 100 - 3 - 3.6/6697=1 HA TYR 54 - HG3 GLU 87 lone 3 100 - 3 - HA THR 55 - HG2 GLU 65 lone 2 62 - 4 - HA THR 55 - HG3 GLU 87 lone 1 68 - 2 - Peak 6690 from cnoeabs.peaks (5.33, 2.20, 36.11 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.83: HA ASN 91 + HG3 GLU 87 OK 83 100 - 83 - 6691/1.8=41, ~7213=18...(13) HA ASN 91 - HG2 GLU 65 lone 6 96 - 6 - 4.6/6011=1 Peak 6691 from cnoeabs.peaks (5.33, 1.80, 36.11 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.89: HA ASN 91 + HG2 GLU 87 OK 89 100 - 89 - 6690/1.8=36, 3.8/6684=31...(12) Peak 6694 from cnoeabs.peaks (8.46, 1.88, 31.71 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.67: H ILE 93 + HB2 PRO 92 OK 67 67 - 100 - 4.1=100 Peak 6695 from cnoeabs.peaks (8.46, 1.56, 31.71 ppm; 5.04 A): 5 out of 10 assignments used, quality = 0.91: H GLY 90 + HB3 GLU 87 OK 63 71 - 89 - 3.0/6687=34, 4.6/7213=22...(13) H ILE 93 + HB3 GLU 87 OK 52 100 - 53 - 6795/4.1=23, 7206/3.0=18...(8) H LEU 21 + HB3 GLU 87 OK 34 98 - 35 - 6699/4.1=8, 4.6/3654=7...(7) H ALA 98 + HB3 GLU 87 OK 13 92 - 14 - 6699/4.1=3, 6693/4.0=3...(5) H PHE 83 + HB3 GLU 87 OK 12 85 - 14 - 6693/4.0=4, 6699/4.1=2...(5) H THR 42 - HB3 GLU 87 lone 8 96 - 8 - 6693/4.0=2, 6696/3.0=1...(4) H ASP 72 - HB3 GLU 87 lone 7 87 - 8 - 6693/4.0=2, 6699/4.1=1...(5) H GLY 60 - HB3 GLU 87 lone 7 68 - 10 - 4.6/7213=4, 1104/7213=2 H ASP 71 - HB3 GLU 87 lone 5 98 - 5 - H THR 15 - HB3 GLU 87 lone 5 100 - 4 - Peak 6696 from cnoeabs.peaks (8.46, 1.80, 36.11 ppm; 5.04 A): 5 out of 10 assignments used, quality = 0.91: H ILE 93 + HG2 GLU 87 OK 60 99 - 61 - 3.5/7166=30, 7206/3.8=16...(9) H GLY 90 + HG2 GLU 87 OK 50 60 - 83 - 3.0/6685=27, 3.0/6744=22...(12) H LEU 21 + HG2 GLU 87 OK 40 100 - 41 - 4.6/3660=7, 3.6/4760=6...(11) H PHE 83 + HG2 GLU 87 OK 13 92 - 14 - 6693/5.0=4, 3.0/7166=4...(4) H ALA 98 + HG2 GLU 87 OK 13 97 - 13 - 6693/5.0=3, 7010/3.0=2...(5) H THR 42 - HG2 GLU 87 lone 8 99 - 8 - 6693/5.0=2, 6695/3.0=1 H ASP 72 - HG2 GLU 87 lone 8 93 - 8 - 6693/5.0=1, 6695/3.0=1 H ASP 71 - HG2 GLU 87 lone 5 95 - 5 - 4371/7166=1 H THR 15 - HG2 GLU 87 lone 4 99 - 4 - H GLY 60 - HG2 GLU 87 lone 4 57 - 6 - 1104/6749=1, 4.6/6749=1 Peak 6697 from cnoeabs.peaks (8.46, 2.20, 36.11 ppm; 5.04 A): 8 out of 20 assignments used, quality = 0.93: H GLY 90 + HG3 GLU 87 OK 49 60 - 82 - ~6685=21, ~6687=19...(13) H ILE 93 + HG3 GLU 87 OK 47 99 - 48 - 7206/3.8=16, 6696/1.8=12...(11) H LEU 21 + HG3 GLU 87 OK 35 100 - 35 - 6696/1.8=8, 4.6/3666=6...(8) H LEU 21 + HG2 GLU 65 OK 29 96 - 31 - 4797/3.9=17, 4.6/3666=7...(5) H ALA 98 + HG3 GLU 87 OK 14 97 - 14 - 6693/5.0=3, 6696/1.8=3...(5) H PHE 83 + HG3 GLU 87 OK 12 92 - 14 - 6693/5.0=4, ~7166=3...(4) H ALA 98 + HG2 GLU 65 OK 12 91 - 13 - 6014/3.9=4, 3.6/6689=4 H ILE 93 + HG2 GLU 65 OK 11 95 - 12 - 6014/3.9=4, 1072/3666=1 H THR 42 - HG3 GLU 87 lone 8 99 - 8 - 6693/5.0=2, 6696/1.8=2 H ASP 72 - HG3 GLU 87 lone 8 93 - 8 - 6696/1.8=2, 6693/5.0=1 H ASP 71 - HG2 GLU 65 lone 5 89 - 6 - 6014/3.9=1, 4.4/6011=1 H ASP 71 - HG3 GLU 87 lone 5 95 - 5 - 6696/1.8=1 H THR 15 - HG3 GLU 87 lone 4 99 - 4 - H PHE 83 - HG2 GLU 65 lone 4 86 - 5 - 6014/3.9=2 H THR 15 - HG2 GLU 65 lone 4 94 - 4 - 6014/3.9=1 H THR 42 - HG2 GLU 65 lone 4 94 - 4 - 6014/3.9=1 H GLY 60 - HG3 GLU 87 lone 3 57 - 5 - 6695/3.0=1 H ASP 72 - HG2 GLU 65 lone 3 87 - 3 - H GLY 60 - HG2 GLU 65 lone 1 52 - 3 - H GLY 90 - HG2 GLU 65 lone 1 54 - 2 - Peak 6701 from cnoeabs.peaks (5.85, 6.21, 132.05 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.82: QD TYR 33 + QD PHE 88 OK 82 97 - 84 - 4811/2.2=20, ~4745=16...(22) Peak 6702 from cnoeabs.peaks (2.81, 6.95, 130.60 ppm; 4.89 A): 2 out of 8 assignments used, quality = 0.92: HB3 TYR 33 + QE PHE 88 OK 89 96 - 93 - 2.5/4811=29, ~6701=28...(19) HB3 TYR 33 + QE PHE 70 OK 29 69 - 42 - 2.5/7129=9, 1.8/5142=8...(9) HB2 ASP 72 - QE PHE 88 lone 3 95 - 3 - HB2 ASP 72 - QE PHE 70 lone 3 67 - 4 - 6288/4.4=2 HB2 TYR 54 - QE PHE 88 lone 2 89 - 3 - HB2 PHE 17 - QE PHE 88 lone 2 95 - 2 - HB2 PHE 17 - QE PHE 70 lone 2 67 - 3 - HB2 TYR 54 - QE PHE 70 lone 1 61 - 2 - Peak 6703 from cnoeabs.peaks (3.09, 6.95, 130.60 ppm; 4.83 A): 2 out of 12 assignments used, quality = 0.94: HB2 TYR 33 + QE PHE 88 OK 91 97 - 94 - 1.8/4745=33, 2.5/4811=29...(19) HB3 TRP 82 + QE PHE 88 OK 34 97 - 35 - 6563=15, 3.9/4723=7...(8) HB2 TYR 33 - QE PHE 70 OK 29 69 - 42 - 1.8/6702=9, 2.5/7129=9...(9) HE3 LYS 41 - QE PHE 70 OK 12 69 - 17 - ~6229=5, ~4716=4...(5) HB3 TRP 82 - QE PHE 70 poor 8 69 - 11 - 6563=4, 3.9/6565=2, 6584/5307=1 HE3 LYS 41 - QE PHE 88 lone 6 97 - 6 - 6.2/4816=1 HE3 LYS 77 - QE PHE 88 lone 3 96 - 3 - HE2 LYS 77 - QE PHE 88 lone 2 72 - 3 - HE3 LYS 77 - QE PHE 70 lone 2 69 - 2 - HB2 ASP 56 - QE PHE 88 lone 1 67 - 2 - HE2 LYS 77 - QE PHE 70 lone 1 47 - 2 - HB2 ASP 56 - QE PHE 70 lone 1 44 - 2 - Peak 6704 from cnoeabs.peaks (3.75, 6.95, 130.60 ppm; 4.41 A): 4 out of 12 assignments used, quality = 0.88: HA VAL 30 + QE PHE 88 OK 78 96 - 82 - 4850/2.2=27, 5059=16...(24) HA VAL 30 + QE PHE 70 OK 25 68 - 37 - 5059=6, 3.2/5064=5...(14) HA2 GLY 64 + QE PHE 88 OK 20 95 - 21 - 4850/2.2=6, 5994/4752=4...(6) HA2 GLY 20 + QE PHE 88 OK 10 86 - 12 - 4759/4751=4, 4850/2.2=3 HA2 GLY 22 - QE PHE 88 lone 7 67 - 10 - 4850/2.2=2, ~4865=2, ~4848=1 HA2 GLY 64 - QE PHE 70 lone 5 67 - 8 - HB THR 42 - QE PHE 88 lone 5 77 - 6 - 4850/2.2=2 HA2 GLY 22 - QE PHE 70 lone 4 44 - 8 - 4842/2.2=3, ~4844=3 HA2 GLY 60 - QE PHE 88 lone 3 86 - 4 - HA2 GLY 20 - QE PHE 70 lone 2 58 - 4 - HB THR 42 - QE PHE 70 lone 2 51 - 4 - 5500/4816=1 HA2 GLY 60 - QE PHE 70 lone 1 58 - 2 - Peak 6705 from cnoeabs.peaks (4.08, 6.95, 130.60 ppm; 5.50 A): 5 out of 10 assignments used, quality = 0.93: HB3 SER 29 + QE PHE 88 OK 72 97 - 74 - 5018/2.2=31, ~4849=24...(9) HA3 GLY 38 + QE PHE 70 OK 48 69 - 71 - 5325/2.2=30, ~5327=22...(7) HA3 GLY 38 + QE PHE 88 OK 32 96 - 33 - 4848/2.2=12, 1.8/5328=7...(6) HA LYS 41 + QE PHE 70 OK 19 54 - 36 - ~5485=29, 3.0/4796=2...(4) HA ILE 39 + QE PHE 70 OK 15 63 - 25 - ~5376=18, 5364/5384=2 HB3 SER 29 - QE PHE 70 poor 10 69 - 14 - 4.6/5054=4, 1.8/7070=2...(4) HA LYS 41 - QE PHE 88 lone 7 81 - 9 - 5470/4743=2, 4848/2.2=1 HA ILE 39 - QE PHE 88 lone 5 91 - 6 - 4848/2.2=2 HB THR 67 - QE PHE 88 lone 4 67 - 6 - ~6067=2, 4848/2.2=2 HB THR 67 - QE PHE 70 lone 4 44 - 9 - ~6068=4, 6056/6.5=1 Peak 6706 from cnoeabs.peaks (1.97, 6.95, 130.60 ppm; 5.85 A): 4 out of 22 assignments used, quality = 0.80: HB VAL 25 + QE PHE 88 OK 64 79 - 81 - ~4890=22, 3.0/4861=15...(17) HB VAL 25 + QE PHE 70 OK 26 52 - 50 - 3.0/4876=8, ~1544=8...(11) HB VAL 95 + QE PHE 88 OK 18 57 - 32 - ~6915=17, ~4854=10, ~6919=3 HG3 PRO 74 + QE PHE 88 OK 10 92 - 11 - ~6708=3, ~4741=3, ~6707=2 HB2 LYS 77 - QE PHE 88 lone 9 96 - 10 - 4909/4752=2, 4909/4752=1 HB2 LYS 77 - QE PHE 70 poor 8 69 - 12 - ~4859=6, 4877=1 HB2 GLU 65 - QE PHE 70 poor 7 69 - 10 - ~6008=3, 6009/2.2=2...(4) HB2 GLU 65 - QE PHE 88 lone 5 96 - 6 - 4810/4753=1, 4805/4752=1 HB3 GLU 28 - QE PHE 88 lone 5 96 - 5 - HB VAL 95 - QE PHE 70 poor 4 36 - 12 - 6880/4.4=5, 6878/4.4=3 HG2 GLN 19 - QE PHE 88 lone 4 97 - 4 - HG2 PRO 49 - QE PHE 88 lone 4 55 - 7 - ~4741=2 HG3 PRO 73 - QE PHE 70 lone 4 44 - 8 - ~4795=5, 6631/4.4=1 HG2 GLN 19 - QE PHE 70 lone 3 69 - 4 - HB3 GLU 28 - QE PHE 70 lone 2 69 - 3 - HB3 LYS 45 - QE PHE 88 lone 2 67 - 3 - HB2 LYS 45 - QE PHE 88 lone 2 67 - 3 - HG2 PRO 49 - QE PHE 70 lone 2 35 - 6 - 5644/5404=2 HG3 PRO 73 - QE PHE 88 lone 2 67 - 3 - HG3 PRO 74 - QE PHE 70 lone 2 64 - 3 - HB2 LYS 45 - QE PHE 70 lone 1 44 - 3 - HB3 LYS 45 - QE PHE 70 lone 1 44 - 3 - Peak 6707 from cnoeabs.peaks (3.45, 6.21, 132.05 ppm; 5.00 A): 2 out of 4 assignments used, quality = 0.87: HB2 SER 89 + QD PHE 88 OK 76 97 - 78 - 6728=34, 1.8/6733=29...(9) HB2 PHE 83 + QD PHE 88 OK 46 75 - 61 - 2.4/4732=18, 6598=16...(11) HB2 PHE 70 - QD PHE 88 lone 9 88 - 10 - 1.8/4860=3, 4.4/4629=3 HD3 PRO 74 - QD PHE 88 lone 7 72 - 9 - 1.8/6708=3, ~6709=3, ~6706=1 Peak 6708 from cnoeabs.peaks (3.71, 6.21, 132.05 ppm; 5.83 A): 3 out of 5 assignments used, quality = 0.79: HA LEU 21 + QD PHE 88 OK 72 79 - 92 - 6709/2.5=33, 4779/2.2=30...(16) HB2 SER 69 + QD PHE 88 OK 12 94 - 13 - 6709/2.5=4, 1467/4778=1 HD2 PRO 74 + QD PHE 88 OK 12 79 - 14 - 6709/2.5=4, 1.8/6707=2...(5) HA2 GLY 20 - QD PHE 88 poor 8 60 - 13 - 4759/6818=5, 4743/2.2=2...(4) HB THR 42 - QD PHE 88 lone 4 72 - 6 - 4670/6701=1 Peak 6709 from cnoeabs.peaks (3.70, 2.87, 41.86 ppm; 5.15 A): 1 out of 4 assignments used, quality = 0.79: HA LEU 21 + HB3 PHE 88 OK 79 97 - 81 - 4780/2.5=33, 4.0/6719=22...(11) HD2 PRO 74 - HB3 PHE 88 lone 10 97 - 10 - 6708/2.5=3, 6837/6840=2...(4) HB2 SER 69 - HB3 PHE 88 lone 8 100 - 8 - 6708/2.5=3, 1467/6719=1...(4) HA2 GLY 47 - HB3 PHE 88 lone 4 71 - 5 - 4741/2.5=2 Peak 6713 from cnoeabs.peaks (0.73, 4.48, 56.41 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.96: QG2 ILE 93 + HA PHE 88 OK 92 100 - 93 - 6799/3.0=36, 6834/3.0=27...(20) QG2 ILE 51 + HA PHE 88 OK 40 99 - 41 - 6714/3.0=11, 6718/3.0=10...(10) QD1 ILE 40 - HA PHE 88 OK 21 76 - 27 - 4748/3.7=6, 6711/3.0=5...(10) Peak 6714 from cnoeabs.peaks (0.72, 2.18, 41.86 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.92: QG2 ILE 93 + HB2 PHE 88 OK 87 100 - 88 - 6834/1.8=27, 6799/3.6=22...(23) QG2 ILE 51 + HB2 PHE 88 OK 39 100 - 39 - 6718/1.8=9, 4748/2.5=7...(9) Peak 6715 from cnoeabs.peaks (0.81, 2.18, 41.86 ppm; 4.17 A): 5 out of 6 assignments used, quality = 0.94: QD1 ILE 93 + HB2 PHE 88 OK 70 78 - 90 - 3.1/6714=24, 6840/1.8=22...(22) QG2 VAL 25 + HB2 PHE 88 OK 47 99 - 48 - ~4890=11, 4747/2.5=9...(11) QG1 VAL 25 + HB2 PHE 88 OK 42 87 - 49 - 4890/2.5=13, 6717/1.8=8...(13) QG2 ILE 40 + HB2 PHE 88 OK 29 99 - 29 - 4747/2.5=5, 6717/1.8=5...(10) QG2 ILE 16 + HB2 PHE 88 OK 11 83 - 14 - 4747/2.5=3, 4586/6720=2...(7) QD2 LEU 62 - HB2 PHE 88 lone 2 63 - 3 - Peak 6717 from cnoeabs.peaks (0.81, 2.87, 41.86 ppm; 4.39 A): 3 out of 5 assignments used, quality = 0.95: QD1 ILE 93 + HB3 PHE 88 OK 82 89 - 93 - 6840=34, 3.1/6718=25...(21) QG1 VAL 25 + HB3 PHE 88 OK 50 95 - 53 - 4890/2.5=16, 6715/1.8=9...(11) QG2 VAL 25 + HB3 PHE 88 OK 48 95 - 51 - ~4890=12, 4747/2.5=10...(11) QG2 ILE 40 - HB3 PHE 88 OK 30 97 - 31 - 6715/1.8=6, 4747/2.5=5...(10) QG2 ILE 16 - HB3 PHE 88 OK 11 71 - 15 - 4747/2.5=4, 6715/1.8=2...(7) Peak 6718 from cnoeabs.peaks (0.72, 2.87, 41.86 ppm; 3.43 A): 3 out of 3 assignments used, quality = 0.92: QG2 ILE 93 + HB3 PHE 88 OK 86 100 - 86 - 6834=31, 6714/1.8=23...(21) QG2 ILE 51 + HB3 PHE 88 OK 32 100 - 32 - 6714/1.8=10, 4748/2.5=6...(9) QD1 ILE 40 + HB3 PHE 88 OK 13 65 - 20 - 4748/2.5=5, 6711/3.6=3...(9) Peak 6719 from cnoeabs.peaks (-0.18, 2.87, 41.86 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 21 + HB3 PHE 88 OK 84 100 - 84 - 4803=28, 4778/2.5=25...(16) QD1 ILE 80 + HB3 PHE 88 OK 52 100 - 52 - 4749/2.5=13, 6720/1.8=13...(11) Peak 6720 from cnoeabs.peaks (-0.19, 2.18, 41.86 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 21 + HB2 PHE 88 OK 82 100 - 82 - 4749/2.5=27, 6719/1.8=25...(18) QD1 ILE 80 + HB2 PHE 88 OK 45 97 - 46 - 6719/1.8=15, 4749/2.5=14...(7) Peak 6722 from cnoeabs.peaks (0.78, 6.21, 132.05 ppm; 5.24 A): 2 out of 4 assignments used, quality = 0.97: QD1 ILE 93 + QD PHE 88 OK 90 92 - 98 - 6840/2.5=34, 6813=26...(31) QG1 VAL 25 + QD PHE 88 OK 72 86 - 84 - 4890=27, 2.1/4889=15...(30) QD1 LEU 53 - QD PHE 88 OK 23 94 - 24 - 5827/4787=4, ~5804=3...(11) QD1 ILE 40 - QD PHE 88 OK 21 57 - 37 - 5445/2.5=4, ~6715=4...(15) Peak 6723 from cnoeabs.peaks (-0.18, 6.21, 132.05 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 21 + QD PHE 88 OK 91 95 - 96 - 4778=33, 6719/2.5=27...(26) QD1 ILE 80 + QD PHE 88 OK 64 97 - 66 - 6719/2.5=16, 6720/2.5=14...(18) Peak 6724 from cnoeabs.peaks (-0.18, 6.95, 130.60 ppm; 4.99 A): 2 out of 4 assignments used, quality = 0.96: QD2 LEU 21 + QE PHE 88 OK 89 96 - 93 - 4778/2.2=32, 4853/2.2=25...(23) QD1 ILE 80 + QE PHE 88 OK 59 96 - 62 - 4749/2.2=16, 4853/2.2=16...(14) QD2 LEU 21 - QE PHE 70 OK 24 69 - 35 - ~7045=6, 4776=6...(13) QD1 ILE 80 - QE PHE 70 OK 18 68 - 26 - 6506/4720=4, 6386/6394=3...(9) Peak 6725 from cnoeabs.peaks (2.89, 3.45, 62.26 ppm; 5.03 A): 4 out of 5 assignments used, quality = 0.95: HB2 ASN 91 + HB2 SER 89 OK 63 87 - 73 - 3.5/6730=25, 3.6/6731=24...(11) HB3 ASN 91 + HB2 SER 89 OK 62 85 - 73 - 3.5/6730=25, 3.6/6731=24...(11) HB3 PHE 88 + HB2 SER 89 OK 55 81 - 69 - 2.5/6728=37, ~6733=20...(6) HB3 PHE 97 + HB2 SER 89 OK 13 98 - 12 - 2.4/6730=4, ~6735=3...(4) HB2 ASN 24 - HB2 SER 89 lone 2 87 - 2 - Peak 6726 from cnoeabs.peaks (0.81, 3.45, 62.26 ppm; 4.86 A): 0 out of 6 assignments used, low quality = 0.41: QG1 VAL 25 - HB2 SER 89 OK 14 87 - 17 - 4890/6728=6, 4882/4.6=3...(5) QG2 ILE 40 - HB2 SER 89 OK 14 99 - 14 - 3.2/5433=4, 4747/6728=2...(5) QG2 VAL 25 - HB2 SER 89 OK 11 99 - 11 - 4747/6728=4, ~5028=2...(4) QD1 ILE 93 - HB2 SER 89 OK 10 78 - 13 - 6813/6728=6, 4750/6729=2...(4) QG2 ILE 16 - HB2 SER 89 lone 5 83 - 6 - 4747/6728=1 QD2 LEU 62 - HB2 SER 89 lone 1 63 - 2 - Peak 6728 from cnoeabs.peaks (6.23, 3.45, 62.26 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.57: QD PHE 88 + HB2 SER 89 OK 51 96 - 53 - 6733/1.8=18, 2.2/6729=14...(7) QE TYR 33 + HB2 SER 89 OK 13 99 - 13 - 4667=6, 6733/1.8=4, 4662/6729=2 Peak 6729 from cnoeabs.peaks (6.96, 3.45, 62.26 ppm; 4.19 A): 3 out of 7 assignments used, quality = 0.80: QE PHE 88 + HB2 SER 89 OK 66 99 - 67 - 2.2/6728=33, ~6733=16...(10) HZ PHE 88 + HB2 SER 89 OK 35 76 - 46 - 3.8/6728=23, ~7071=9...(6) HZ PHE 83 + HB2 SER 89 OK 11 98 - 11 - 4841/6728=4, 4841/6728=2 QE PHE 70 - HB2 SER 89 lone 7 97 - 7 - 6734/1.8=1 QE PHE 83 - HB2 SER 89 lone 6 65 - 10 - 4629/6728=3, 6734/1.8=1, ~6734=1 HE22 GLN 48 - HB2 SER 89 lone 1 78 - 2 - HD21 ASN 52 - HB2 SER 89 lone 1 60 - 2 - Peak 6730 from cnoeabs.peaks (7.36, 3.45, 62.26 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.75: HD21 ASN 91 + HB2 SER 89 OK 75 100 - 75 - 6735/1.8=25, ~6769=24...(9) QD PHE 97 - HB2 SER 89 poor 10 76 - 13 - 6735/1.8=4, 2.4/6725=2 H GLY 38 - HB2 SER 89 lone 5 85 - 6 - 6735/1.8=2 HZ2 TRP 82 - HB2 SER 89 lone 3 89 - 3 - 6735/1.8=1 Peak 6731 from cnoeabs.peaks (7.77, 3.45, 62.26 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.80: H ASN 91 + HB2 SER 89 OK 76 98 - 77 - 6759=35, 6736/1.8=23...(9) H LYS 61 + HB2 SER 89 OK 16 90 - 18 - 6736/1.8=6, 6759=5...(6) Peak 6733 from cnoeabs.peaks (6.22, 4.00, 62.26 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.73: QD PHE 88 + HB3 SER 89 OK 59 100 - 60 - 6728/1.8=31, 4742=18...(7) QD PHE 88 + HB2 SER 29 OK 25 76 - 33 - 2.2/7071=8, ~4816=8...(5) QE TYR 33 + HB3 SER 89 OK 11 100 - 11 - 6728/1.8=9, 4662/6734=1 QE TYR 33 - HB2 SER 29 lone 3 77 - 3 - Peak 6734 from cnoeabs.peaks (6.96, 4.00, 62.26 ppm; 4.26 A): 4 out of 14 assignments used, quality = 0.90: QE PHE 88 + HB3 SER 89 OK 65 96 - 68 - 2.2/6733=23, ~6728=23...(7) QE PHE 88 + HB2 SER 29 OK 38 69 - 55 - ~5018=17, ~4848=14...(6) HZ PHE 88 + HB3 SER 89 OK 36 85 - 42 - 3.8/6733=17, ~6729=13...(5) HZ PHE 88 + HB2 SER 29 OK 29 58 - 50 - 4848/1.8=17, 4849=14...(7) HZ PHE 83 - HB3 SER 89 poor 10 95 - 10 - 6729/1.8=3, 4841/6733=3, ~6729=1 QE PHE 70 - HB2 SER 29 lone 7 74 - 9 - 5054/4.6=3, 5018/1.8=2 QE PHE 83 - HB3 SER 89 lone 6 76 - 8 - 4629/6733=2, ~6729=2, 6729/1.8=2 HZ PHE 83 - HB2 SER 29 lone 6 68 - 9 - ~5018=4, 5054/4.6=2, 4841/6733=1 QE PHE 70 - HB3 SER 89 lone 6 99 - 6 - 6729/1.8=2 QE PHE 83 - HB2 SER 29 poor 5 51 - 11 - 5054/4.6=3, 5018/1.8=3...(4) HE22 GLN 48 - HB2 SER 29 lone 3 60 - 6 - 5018/1.8=1 HE22 GLN 48 - HB3 SER 89 lone 2 87 - 2 - HD21 ASN 52 - HB2 SER 29 lone 1 47 - 3 - HD21 ASN 52 - HB3 SER 89 lone 1 71 - 1 - Peak 6735 from cnoeabs.peaks (7.35, 4.00, 62.26 ppm; 4.88 A): 2 out of 8 assignments used, quality = 0.73: HD21 ASN 91 + HB3 SER 89 OK 69 95 - 74 - 1.7/6769=29, 6730/1.8=29...(8) QD PHE 97 + HB3 SER 89 OK 11 95 - 11 - 6730/1.8=4, 6979/3.0=2, ~6725=2 H GLY 38 - HB2 SER 29 poor 8 72 - 11 - 5011/4.0=3, 4.4/5288=2...(5) H GLY 38 - HB3 SER 89 lone 6 98 - 6 - 6730/1.8=2 QD PHE 97 - HB2 SER 29 lone 6 68 - 8 - 5011/4.0=2, 5055/4.6=2 HZ2 TRP 82 - HB3 SER 89 lone 3 99 - 3 - 6730/1.8=1 HD21 ASN 91 - HB2 SER 29 lone 3 68 - 4 - 1.7/6769=2 HZ2 TRP 82 - HB2 SER 29 lone 2 74 - 3 - Peak 6736 from cnoeabs.peaks (7.75, 4.00, 62.26 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.73: H ASN 91 + HB3 SER 89 OK 68 98 - 69 - 6759/1.8=31, 6762=20...(8) H LYS 61 + HB3 SER 89 OK 16 100 - 15 - 6731/1.8=5, 6762=3...(6) H ASN 91 - HB2 SER 29 lone 4 72 - 5 - 6762=1 H LYS 61 - HB2 SER 29 lone 2 76 - 2 - Peak 6738 from cnoeabs.peaks (9.15, 4.16, 44.75 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.59: H PHE 88 + HA3 GLY 90 OK 59 99 - 60 - 6777/3.6=38, 4.1/6745=18...(5) Peak 6740 from cnoeabs.peaks (1.89, 3.60, 44.75 ppm; 4.86 A): 2 out of 11 assignments used, quality = 0.91: HB2 GLU 87 + HA2 GLY 90 OK 89 100 - 89 - 1.8/6687=39, 6686=29...(12) HB2 PRO 92 + HA2 GLY 90 OK 21 87 - 25 - 7212/3.6=7, 6686=5...(9) HB3 LYS 44 - HA2 GLY 90 OK 20 78 - 25 - 6686=4, 2.9/6742=4...(10) HD3 LYS 77 - HA2 GLY 90 OK 18 87 - 21 - 3.0/6742=4, 3.0/6742=4...(7) HB2 LYS 44 - HA2 GLY 90 OK 17 71 - 25 - 2.9/6742=4, 6686=4...(9) HB2 LEU 62 - HA2 GLY 90 OK 13 99 - 13 - 3.0/6741=2, 1.8/6742=2...(6) HB2 ARG 57 - HA2 GLY 90 OK 12 98 - 12 - ~5894=3, 6746/3.0=2...(6) HB3 ARG 57 - HA2 GLY 90 OK 12 98 - 12 - ~5894=3, 6746/3.0=2...(6) HB2 LYS 63 - HA2 GLY 90 lone 7 100 - 6 - 6748/3.6=1, 6746/3.0=1...(4) HB ILE 16 - HA2 GLY 90 lone 6 65 - 9 - 3.2/4609=4, 2.1/7055=2 HB ILE 27 - HA2 GLY 90 lone 2 85 - 2 - Peak 6741 from cnoeabs.peaks (1.78, 3.60, 44.75 ppm; 5.40 A): 2 out of 6 assignments used, quality = 0.83: HG2 GLU 87 + HA2 GLY 90 OK 81 89 - 91 - 3.0/6687=37, 6685=31...(13) HB ILE 93 + HA2 GLY 90 OK 14 71 - 19 - 6749/3.6=7, 6744/1.8=6...(4) HG LEU 62 - HA2 GLY 90 poor 9 63 - 14 - 6744/1.8=4, 3.0/6740=2...(6) HB2 GLN 48 - HA2 GLY 90 lone 3 76 - 4 - 6744/1.8=1 HB3 GLN 19 - HA2 GLY 90 lone 2 73 - 3 - HG2 LYS 35 - HA2 GLY 90 lone 2 81 - 2 - Peak 6742 from cnoeabs.peaks (1.55, 3.60, 44.75 ppm; 4.21 A): 4 out of 10 assignments used, quality = 0.84: HB3 GLU 87 + HA2 GLY 90 OK 75 95 - 80 - 6687=31, 1.8/6686=18...(12) HG2 LYS 77 + HA2 GLY 90 OK 14 78 - 18 - 6739/3.0=3, ~6745=3...(8) HG3 LYS 44 + HA2 GLY 90 OK 14 99 - 14 - 6739/3.0=3, 6745/1.8=3...(6) HG3 LYS 77 + HA2 GLY 90 OK 14 76 - 18 - ~6745=3, 6739/3.0=3...(8) HB3 LEU 62 - HA2 GLY 90 lone 7 83 - 8 - 1.8/6740=2, 3.0/6741=2...(5) HG13 ILE 93 - HA2 GLY 90 lone 6 71 - 8 - ~6744=3, 3.0/6741=3 HD2 LYS 86 - HA2 GLY 90 lone 4 100 - 4 - HB3 LYS 63 - HA2 GLY 90 lone 3 89 - 4 - HB3 PRO 49 - HA2 GLY 90 lone 3 89 - 3 - HB3 LYS 94 - HA2 GLY 90 lone 1 98 - 1 - Peak 6743 from cnoeabs.peaks (1.88, 4.16, 44.75 ppm; 5.35 A): 1 out of 12 assignments used, quality = 0.94: HB2 GLU 87 + HA3 GLY 90 OK 94 99 - 96 - ~6687=34, 4.1/6738=30...(14) HB2 PRO 92 - HA3 GLY 90 OK 26 98 - 27 - 7212/3.6=9, 6686/1.8=5...(9) HD3 LYS 77 - HA3 GLY 90 OK 24 98 - 25 - 3.0/6745=5, 3.0/6745=5...(7) HB3 LYS 44 - HA3 GLY 90 OK 23 95 - 25 - 2.9/6745=5, 6686/1.8=4...(9) HB2 LYS 44 - HA3 GLY 90 OK 22 90 - 25 - 2.9/6745=5, 6740/1.8=3...(9) HB2 LEU 62 - HA3 GLY 90 OK 14 90 - 15 - 3.0/6744=3, 6740/1.8=3...(6) HB3 ARG 57 - HA3 GLY 90 OK 13 87 - 14 - ~5894=3, 6746/3.0=2...(6) HB2 ARG 57 - HA3 GLY 90 OK 13 87 - 14 - ~5894=3, 6746/3.0=2...(6) HB2 LYS 63 - HA3 GLY 90 lone 8 100 - 8 - 6740/1.8=1, 6746/3.0=1 HB ILE 16 - HA3 GLY 90 lone 8 87 - 9 - ~4609=3, ~7055=2, 6740/1.8=1 HB ILE 27 - HA3 GLY 90 lone 3 97 - 3 - HB ILE 37 - HA3 GLY 90 lone 3 81 - 3 - Peak 6744 from cnoeabs.peaks (1.79, 4.16, 44.75 ppm; 5.28 A): 3 out of 4 assignments used, quality = 0.93: HG2 GLU 87 + HA3 GLY 90 OK 90 99 - 91 - 6685/1.8=34, ~6687=27...(15) HB ILE 93 + HA3 GLY 90 OK 20 90 - 23 - 6749/3.6=8, 415/6738=6...(5) HG LEU 62 + HA3 GLY 90 OK 12 85 - 13 - 6741/1.8=3, 3.0/6743=2...(6) HB2 GLN 48 - HA3 GLY 90 lone 4 93 - 4 - 6741/1.8=1 Peak 6745 from cnoeabs.peaks (1.56, 4.16, 44.75 ppm; 4.47 A): 4 out of 8 assignments used, quality = 0.94: HB3 GLU 87 + HA3 GLY 90 OK 88 99 - 88 - 6687/1.8=33, 4.1/6738=22...(14) HG2 LYS 77 + HA3 GLY 90 OK 20 100 - 20 - 6739/3.0=4, ~6742=3...(8) HG3 LYS 77 + HA3 GLY 90 OK 20 100 - 20 - 6739/3.0=4, ~6742=3...(8) HG3 LYS 44 + HA3 GLY 90 OK 17 97 - 18 - 6739/3.0=3, 6742/1.8=3...(8) HB3 PRO 49 - HA3 GLY 90 lone 4 100 - 4 - HD2 LYS 86 - HA3 GLY 90 lone 4 76 - 5 - 414/6738=1 HD2 LYS 63 - HA3 GLY 90 lone 1 60 - 2 - HB3 LYS 94 - HA3 GLY 90 lone 1 63 - 2 - Peak 6751 from cnoeabs.peaks (2.18, 5.33, 50.14 ppm; 3.88 A): 3 out of 10 assignments used, quality = 1.00: HG3 PRO 92 + HA ASN 91 OK 94 98 - 96 - 2.3/6791=44, 2.3/6790=44...(19) HB3 PRO 92 + HA ASN 91 OK 89 95 - 94 - 3.0/6791=38, 3.0/6790=38...(20) HG3 GLU 87 + HA ASN 91 OK 58 92 - 63 - 1.8/6691=21, 6690=16...(13) HB2 PHE 88 - HA ASN 91 OK 31 100 - 31 - 3.6/6778=18, ~6763=10 HG2 GLU 65 - HA ASN 91 lone 4 97 - 4 - 6690=1 HB VAL 30 - HA ASN 91 lone 2 97 - 2 - HB3 GLN 48 - HA ASN 91 lone 2 95 - 2 - HB3 LYS 35 - HA ASN 91 lone 2 78 - 2 - HB2 PRO 73 - HA ASN 91 lone 1 85 - 1 - HB3 GLU 58 - HA ASN 91 lone 1 68 - 1 - Peak 6752 from cnoeabs.peaks (2.03, 5.33, 50.14 ppm; 4.20 A): 1 out of 7 assignments used, quality = 0.97: HG2 PRO 92 + HA ASN 91 OK 97 100 - 97 - 2.3/6791=47, 2.3/6790=47...(17) HB2 LYS 35 - HA ASN 91 lone 2 83 - 2 - HG2 PRO 49 - HA ASN 91 lone 1 65 - 2 - HB3 MET 50 - HA ASN 91 lone 1 100 - 1 - QE MET 50 - HA ASN 91 lone 1 100 - 1 - HB3 GLN 36 - HA ASN 91 lone 1 92 - 1 - HB2 GLU 23 - HA ASN 91 lone 1 71 - 1 - Peak 6753 from cnoeabs.peaks (1.86, 5.33, 50.14 ppm; 4.71 A): 2 out of 11 assignments used, quality = 0.98: HB2 PRO 92 + HA ASN 91 OK 95 97 - 98 - 3.0/6791=47, 3.0/6790=47...(16) HB2 GLU 87 + HA ASN 91 OK 55 65 - 84 - 3.0/6691=28, 3.0/6690=26...(11) HD3 LYS 77 - HA ASN 91 lone 6 97 - 6 - ~6750=1 HB2 LYS 44 - HA ASN 91 lone 5 100 - 5 - ~6750=1 HB3 LYS 44 - HA ASN 91 lone 5 99 - 5 - ~6750=1 HB2 LYS 61 - HA ASN 91 lone 4 85 - 5 - HB ILE 37 - HA ASN 91 lone 2 100 - 2 - HB ILE 16 - HA ASN 91 lone 2 100 - 2 - HB2 LYS 63 - HA ASN 91 lone 2 73 - 3 - HB2 PRO 74 - HA ASN 91 lone 2 83 - 2 - HB ILE 27 - HA ASN 91 lone 2 98 - 2 - Peak 6754 from cnoeabs.peaks (2.17, 2.91, 40.94 ppm; 4.72 A): 4 out of 20 assignments used, quality = 1.00: HG3 PRO 92 + HB2 ASN 91 OK 99 100 - 99 - 6789/3.0=35, ~6791=28...(22) HG3 PRO 92 + HB3 ASN 91 OK 99 100 - 99 - 6789/3.0=35, ~6791=28...(22) HB3 PRO 92 + HB2 ASN 91 OK 98 100 - 98 - 6786/3.0=30, ~6791=22...(23) HB3 PRO 92 + HB3 ASN 91 OK 98 100 - 98 - 6786/3.0=30, ~6791=22...(23) HG3 GLU 87 - HB2 ASN 91 OK 37 73 - 50 - ~6691=21, 6690/3.0=17...(7) HG3 GLU 87 - HB3 ASN 91 OK 37 73 - 50 - ~6691=21, 6690/3.0=17...(7) HB2 PHE 88 - HB2 ASN 91 OK 26 100 - 26 - 3.6/6780=14, 6747/3.6=5...(4) HB2 PHE 88 - HB3 ASN 91 OK 26 100 - 26 - 3.6/6780=14, 6747/3.6=5...(4) HG2 GLU 65 - HB2 ASN 91 lone 6 85 - 6 - 6690/3.0=1 HG2 GLU 65 - HB3 ASN 91 lone 6 85 - 6 - 6690/3.0=1 HB3 LYS 35 - HB2 ASN 91 lone 4 95 - 4 - HB3 LYS 35 - HB3 ASN 91 lone 4 94 - 4 - HB VAL 30 - HB2 ASN 91 lone 4 85 - 4 - HB VAL 30 - HB3 ASN 91 lone 4 85 - 4 - HB2 PRO 73 - HB2 ASN 91 lone 2 97 - 2 - HB2 PRO 73 - HB3 ASN 91 lone 2 97 - 2 - HB3 GLN 48 - HB2 ASN 91 lone 2 78 - 2 - HB3 GLN 48 - HB3 ASN 91 lone 2 78 - 2 - HB3 GLU 58 - HB2 ASN 91 lone 1 89 - 1 - HB3 GLU 58 - HB3 ASN 91 lone 1 89 - 1 - Peak 6755 from cnoeabs.peaks (3.80, 2.91, 40.94 ppm; 3.63 A): 2 out of 12 assignments used, quality = 1.00: HD2 PRO 92 + HB2 ASN 91 OK 95 100 - 95 - 4.9=42, 6790/3.0=34...(22) HD2 PRO 92 + HB3 ASN 91 OK 95 100 - 95 - 4.9=42, 6790/3.0=34...(22) HA SER 89 - HB2 ASN 91 OK 40 100 - 41 - ~6771=6, ~6730=6...(11) HA SER 89 - HB3 ASN 91 OK 40 100 - 41 - ~6771=6, ~6730=6...(11) HA2 GLY 22 - HB2 ASN 91 OK 32 78 - 42 - ~6768=8, ~6774=7...(9) HA2 GLY 22 - HB3 ASN 91 OK 32 78 - 42 - ~6768=8, ~6774=7...(9) HA ILE 40 - HB2 ASN 91 lone 9 99 - 9 - 4.2/6775=2, 5383/3.5=2...(4) HA ILE 40 - HB3 ASN 91 lone 9 99 - 9 - 4.2/6775=2, 5383/3.5=2...(4) HA LYS 77 - HB2 ASN 91 lone 3 99 - 3 - HA LYS 77 - HB3 ASN 91 lone 3 99 - 3 - HB3 SER 11 - HB2 ASN 91 lone 1 98 - 1 - HB3 SER 11 - HB3 ASN 91 lone 1 98 - 1 - Peak 6756 from cnoeabs.peaks (3.92, 2.91, 40.94 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.99: HD3 PRO 92 + HB2 ASN 91 OK 91 93 - 97 - 4.9=57, 6791/3.0=36...(22) HD3 PRO 92 + HB3 ASN 91 OK 91 93 - 97 - 4.9=57, 6791/3.0=36...(22) HA2 GLY 38 - HB2 ASN 91 lone 7 100 - 7 - 5327/3.5=3, ~5325=1, ~5329=1 HA2 GLY 38 - HB3 ASN 91 lone 7 100 - 7 - 5327/3.5=3, ~5325=1, ~5329=1 HA ALA 31 - HB2 ASN 91 lone 1 65 - 2 - HA ALA 31 - HB3 ASN 91 lone 1 65 - 2 - Peak 6757 from cnoeabs.peaks (3.79, 5.33, 50.14 ppm; 2.94 A): 2 out of 7 assignments used, quality = 0.91: HD2 PRO 92 + HA ASN 91 OK 89 100 - 89 - 6790=50, 1.8/6758=34...(18) HA SER 89 + HA ASN 91 OK 24 99 - 24 - ~6731=4, ~6759=4...(10) HA2 GLY 22 - HA ASN 91 poor 9 87 - 10 - 4842/4.6=4, 4843/4.6=3...(4) HA ILE 40 - HA ASN 91 lone 4 100 - 3 - HA2 GLY 60 - HA ASN 91 lone 3 65 - 5 - ~1104=2, ~420=1 HA LYS 77 - HA ASN 91 lone 2 100 - 2 - HB3 SER 11 - HA ASN 91 lone 1 100 - 1 - Peak 6758 from cnoeabs.peaks (3.93, 5.33, 50.14 ppm; 2.83 A): 1 out of 2 assignments used, quality = 0.85: HD3 PRO 92 + HA ASN 91 OK 85 100 - 85 - 6791=47, 1.8/6790=31...(17) HA2 GLY 38 - HA ASN 91 lone 2 97 - 2 - Peak 6775 from cnoeabs.peaks (0.73, 2.91, 40.94 ppm; 4.45 A): 4 out of 6 assignments used, quality = 0.72: QG2 ILE 93 + HB3 ASN 91 OK 36 97 - 38 - 6802/3.6=18, 6799/6780=6...(8) QG2 ILE 93 + HB2 ASN 91 OK 36 97 - 37 - 6802/3.6=18, 6799/6780=6...(8) QD1 ILE 40 + HB2 ASN 91 OK 17 87 - 19 - 6776/3.6=6, 5403/3.5=3...(6) QD1 ILE 40 + HB3 ASN 91 OK 17 87 - 19 - 6776/3.6=6, 5403/3.5=3...(6) QG2 ILE 51 - HB3 ASN 91 lone 7 94 - 8 - 6776/3.6=3, 6711/6780=1 QG2 ILE 51 - HB2 ASN 91 lone 7 95 - 8 - 6776/3.6=3, 6711/6780=1 Peak 6778 from cnoeabs.peaks (9.18, 5.33, 50.14 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.57: H PHE 88 + HA ASN 91 OK 57 78 - 73 - 6777/3.0=40, ~6763=19...(10) Peak 6779 from cnoeabs.peaks (8.45, 2.91, 40.94 ppm; 5.17 A): 10 out of 22 assignments used, quality = 0.88: H ILE 93 + HB2 ASN 91 OK 28 100 - 28 - 4.0/6775=10, 4.1/6754=6...(6) H ILE 93 + HB3 ASN 91 OK 28 100 - 28 - 4.0/6775=10, 4.1/6754=6...(6) H GLY 90 + HB2 ASN 91 OK 24 83 - 30 - 4.6/1020=18, 4.6/6725=7 H GLY 90 + HB3 ASN 91 OK 24 83 - 30 - 4.6/1020=18, 4.6/6725=7 H LEU 21 + HB3 ASN 91 OK 19 93 - 21 - 3.6/4755=12, 2.9/4799=2...(5) H LEU 21 + HB2 ASN 91 OK 19 93 - 21 - 3.6/4755=12, 2.9/4799=2...(5) H GLY 60 + HB2 ASN 91 OK 13 81 - 16 - 1104/3.6=10, 4.6/3741=2 H GLY 60 + HB3 ASN 91 OK 13 81 - 16 - 1104/3.6=10, 4.6/3741=2 H ASP 71 + HB2 ASN 91 OK 11 100 - 11 - 6253/4.9=4, 330/3.5=2, 420/3.6=1 H ASP 71 + HB3 ASN 91 OK 11 100 - 11 - 6253/4.9=4, 330/3.5=2, 420/3.6=1 H THR 15 - HB2 ASN 91 lone 9 100 - 9 - 4540/3.5=4, ~4544=2 H THR 15 - HB3 ASN 91 lone 9 100 - 9 - 4540/3.5=4, ~4544=2 H ALA 98 - HB2 ASN 91 lone 9 83 - 10 - 6994/3.5=2, 459/1.8=1, 463/3.5=1 H ALA 98 - HB3 ASN 91 lone 9 83 - 10 - 6994/3.5=2, 459/1.8=1, 463/3.5=1 H THR 42 - HB2 ASN 91 lone 3 89 - 4 - H THR 42 - HB3 ASN 91 lone 3 89 - 4 - H PHE 83 - HB2 ASN 91 lone 3 73 - 3 - H PHE 83 - HB3 ASN 91 lone 3 73 - 3 - H THR 67 - HB2 ASN 91 lone 2 65 - 4 - H THR 67 - HB3 ASN 91 lone 2 65 - 4 - H ASP 72 - HB2 ASN 91 lone 2 76 - 3 - H ASP 72 - HB3 ASN 91 lone 2 76 - 3 - Peak 6780 from cnoeabs.peaks (9.16, 2.91, 40.94 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.80: H PHE 88 + HB2 ASN 91 OK 56 100 - 56 - 6777/3.6=37, 6778/3.0=22...(4) H PHE 88 + HB3 ASN 91 OK 56 100 - 56 - 6777/3.6=37, 6778/3.0=22...(4) Peak 6783 from cnoeabs.peaks (7.77, 3.93, 50.50 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.99: H ASN 91 + HD3 PRO 92 OK 99 99 - 100 - 4.8=100 Peak 6784 from cnoeabs.peaks (7.77, 3.79, 50.50 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.99: H ASN 91 + HD2 PRO 92 OK 99 99 - 100 - 4.8=100 Peak 6786 from cnoeabs.peaks (5.33, 2.17, 31.46 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.98: HA ASN 91 + HB3 PRO 92 OK 98 100 - 98 - 6791/3.0=48, 6790/3.0=48...(21) HA ASN 91 - HB3 LYS 35 lone 2 63 - 3 - HA ASN 91 - HB VAL 30 lone 2 62 - 3 - Peak 6787 from cnoeabs.peaks (5.34, 1.87, 31.46 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.99: HA ASN 91 + HB2 PRO 92 OK 97 99 - 98 - 6758/3.0=46, 6790/3.0=45...(17) HA ASN 91 + HB2 GLU 87 OK 57 67 - 86 - 6691/3.0=29, 6690/3.0=27...(11) Peak 6788 from cnoeabs.peaks (5.34, 2.02, 27.57 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.97: HA ASN 91 + HG2 PRO 92 OK 97 99 - 98 - 6758/2.3=46, 6790/2.3=46...(17) HA ASN 91 - HG2 PRO 49 lone 1 45 - 2 - Peak 6789 from cnoeabs.peaks (5.34, 2.17, 27.57 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.96: HA ASN 91 + HG3 PRO 92 OK 96 99 - 97 - 6758/2.3=46, 6790/2.3=46...(19) Peak 6790 from cnoeabs.peaks (5.33, 3.79, 50.50 ppm; 2.91 A): 1 out of 1 assignment used, quality = 0.87: HA ASN 91 + HD2 PRO 92 OK 87 100 - 87 - 3.8=46, 6758/1.8=33...(18) Peak 6791 from cnoeabs.peaks (5.33, 3.93, 50.50 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.87: HA ASN 91 + HD3 PRO 92 OK 87 100 - 87 - 6758=49, 6790/1.8=33...(17) Peak 6792 from cnoeabs.peaks (2.92, 3.93, 50.50 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 91 + HD3 PRO 92 OK 94 98 - 96 - 4.9=47, 3.0/6791=36...(22) HB2 ASN 91 + HD3 PRO 92 OK 94 97 - 96 - 4.9=47, 3.0/6791=36...(22) HB2 ASN 24 - HD3 PRO 92 lone 1 97 - 1 - Peak 6793 from cnoeabs.peaks (2.92, 3.79, 50.50 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.98: HB3 ASN 91 + HD2 PRO 92 OK 87 93 - 93 - 4.9=38, 3.0/6790=32...(22) HB2 ASN 91 + HD2 PRO 92 OK 86 92 - 93 - 4.9=38, 3.0/6790=32...(22) HB2 ASN 24 - HD2 PRO 92 lone 2 92 - 2 - Peak 6794 from cnoeabs.peaks (2.92, 2.17, 27.57 ppm; 5.09 A): 2 out of 3 assignments used, quality = 0.99: HB3 ASN 91 + HG3 PRO 92 OK 93 93 - 99 - 3.0/6789=40, ~6791=32...(24) HB2 ASN 91 + HG3 PRO 92 OK 91 92 - 99 - 3.0/6789=40, ~6791=32...(24) HB2 ASN 24 - HG3 PRO 92 lone 2 92 - 2 - Peak 6796 from cnoeabs.peaks (8.72, 5.15, 59.30 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.90: H GLN 19 + HA ILE 93 OK 81 100 - 81 - 4745/3.6=31, 4.1/4702=29...(10) H ILE 40 + HA ILE 93 OK 27 96 - 28 - 6868/3.6=7, 6798/3.2=6...(9) H ALA 31 + HA ILE 93 OK 24 85 - 28 - 6868/3.6=7, 6798/3.2=7...(7) Peak 6797 from cnoeabs.peaks (8.74, 1.81, 41.62 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.57: H GLN 19 + HB ILE 93 OK 57 87 - 66 - 6798/2.1=20, 6868/4.4=19...(11) H LEU 62 - HB ILE 93 lone 5 71 - 6 - 4.6/285=3 Peak 6798 from cnoeabs.peaks (8.73, 0.72, 18.30 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.84: H GLN 19 + QG2 ILE 93 OK 74 98 - 76 - 6797/2.1=36, 4745/4.4=24...(12) H ALA 31 + QG2 ILE 93 OK 25 60 - 41 - 4.2/5051=8, 4.4/5043=7...(8) H ILE 40 + QG2 ILE 93 OK 20 78 - 25 - 6796/3.2=6, 6868/4.4=6...(7) Peak 6799 from cnoeabs.peaks (9.17, 0.72, 18.30 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.82: H PHE 88 + QG2 ILE 93 OK 82 95 - 87 - 6711=30, 3.6/6834=19...(20) Peak 6800 from cnoeabs.peaks (8.21, 0.72, 18.30 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.97: H GLY 20 + QG2 ILE 93 OK 95 100 - 95 - 2.9/6820=39, 4752=28...(20) H GLU 87 + QG2 ILE 93 OK 45 83 - 54 - 4.6/6799=31, 3.0/6819=9...(10) H SER 29 - QG2 ILE 93 OK 18 90 - 20 - 4.6/5037=6, 4781/6847=2...(8) H ASP 12 - QG2 ILE 93 lone 4 92 - 5 - Peak 6801 from cnoeabs.peaks (8.00, 0.72, 18.30 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.95: H GLY 22 + QG2 ILE 93 OK 69 98 - 71 - 3.6/6835=28, 4.6/3816=9...(18) H LYS 86 + QG2 ILE 93 OK 63 100 - 64 - 6658/3.1=23, 6811/3.2=12...(18) H PHE 34 + QG2 ILE 93 OK 51 85 - 60 - 4.5/5205=8, 6806/3.1=8...(21) H LYS 63 - QG2 ILE 93 OK 29 98 - 29 - 285/2.1=5, 1107/4.4=4...(9) Peak 6802 from cnoeabs.peaks (7.77, 0.72, 18.30 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.69: H ASN 91 + QG2 ILE 93 OK 65 100 - 65 - 6776=24, 6777/6799=20...(10) H LYS 61 + QG2 ILE 93 OK 11 97 - 11 - 6698/6799=3, 6776=2, 6749/2.1=1 Peak 6804 from cnoeabs.peaks (6.98, 0.72, 18.30 ppm; 4.98 A): 3 out of 7 assignments used, quality = 0.93: HZ PHE 88 + QG2 ILE 93 OK 80 100 - 80 - 2.2/4751=23, 3.8/6818=22...(16) QE PHE 83 + QG2 ILE 93 OK 54 100 - 54 - ~6807=13, ~4864=10...(13) QE PHE 70 + QG2 ILE 93 OK 26 92 - 28 - 2.2/4778=10, ~4776=4...(9) HD21 ASN 52 - QG2 ILE 93 OK 21 100 - 21 - 5.5/231=8, 3.5/5773=4...(5) HE22 GLN 48 - QG2 ILE 93 OK 12 100 - 11 - 5.9/6819=2, ~6807=2...(4) HE22 GLN 19 - QG2 ILE 93 poor 8 68 - 12 - 6.6/6798=10 HD21 ASN 24 - QG2 ILE 93 lone 4 96 - 4 - Peak 6805 from cnoeabs.peaks (6.89, 0.72, 18.30 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.88: HZ PHE 34 + QG2 ILE 93 OK 68 100 - 68 - 4829/3.1=23, ~4833=14...(17) QE PHE 34 + QG2 ILE 93 OK 61 90 - 68 - 6809/3.1=20, ~4829=14...(18) Peak 6806 from cnoeabs.peaks (8.00, 0.79, 14.80 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.96: H LYS 86 + QD1 ILE 93 OK 70 93 - 76 - 6658=28, 4.0/6841=15...(17) H PHE 34 + QD1 ILE 93 OK 63 97 - 65 - 4.6/6814=25, 4.1/6839=11...(15) H GLY 22 + QD1 ILE 93 OK 63 100 - 63 - 3.6/6837=15, 6801/3.1=10...(19) H LYS 63 - QD1 ILE 93 OK 25 100 - 25 - 6811/2.1=5, 6801/3.1=4...(5) H VAL 30 - QD1 ILE 93 OK 20 71 - 29 - 5037/3.1=6, 4665/6814=4...(8) Peak 6807 from cnoeabs.peaks (7.56, 0.79, 14.80 ppm; 4.45 A): 3 out of 4 assignments used, quality = 0.93: QD PHE 83 + QD1 ILE 93 OK 85 100 - 85 - 2.4/6838=35, 2.4/6614=23...(22) H ILE 80 + QD1 ILE 93 OK 36 95 - 38 - 3.0/6839=9, 4.6/6850=9...(10) H TYR 33 + QD1 ILE 93 OK 23 60 - 39 - 4.5/6814=22, 6.5/5161=10...(4) HE21 GLN 48 - QD1 ILE 93 poor 9 76 - 12 - 5.9/6816=2, 1.7/6808=2...(4) Peak 6808 from cnoeabs.peaks (6.97, 0.79, 14.80 ppm; 4.45 A): 3 out of 8 assignments used, quality = 0.96: QE PHE 88 + QD1 ILE 93 OK 68 83 - 82 - 2.2/6813=26, 4.4/6840=20...(17) HZ PHE 88 + QD1 ILE 93 OK 66 97 - 68 - 3.8/6813=19, 5.8/6840=14...(17) QE PHE 83 + QD1 ILE 93 OK 62 92 - 67 - 4.4/6838=23, 2.2/6807=20...(12) HZ PHE 83 - QD1 ILE 93 OK 42 81 - 53 - 5.8/6838=15, 3.8/6807=15...(11) QE PHE 70 - QD1 ILE 93 OK 24 100 - 23 - ~4778=4, ~4776=4...(6) HE22 GLN 48 - QD1 ILE 93 OK 12 97 - 12 - 1.7/6807=2, 5.9/6816=2...(4) HD21 ASN 52 - QD1 ILE 93 OK 12 89 - 13 - 5.5/4381=4, 4.3/6815=4 HD21 ASN 24 - QD1 ILE 93 lone 3 68 - 5 - 5.7/4869=1 Peak 6809 from cnoeabs.peaks (6.88, 0.79, 14.80 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.87: QE PHE 34 + QD1 ILE 93 OK 68 100 - 68 - 4833=22, 2.2/4829=17...(21) HZ PHE 34 + QD1 ILE 93 OK 61 99 - 62 - 4829=23, 2.2/4833=16...(17) Peak 6810 from cnoeabs.peaks (8.01, 1.52, 24.52 ppm; 5.04 A): 4 out of 12 assignments used, quality = 0.92: H LYS 86 + HG13 ILE 93 OK 71 100 - 71 - 6658/2.1=27, 6811/1.8=14...(21) H LYS 86 + HG2 LYS 94 OK 44 72 - 61 - 6669/4.0=20, 4.5/7130=10...(19) H GLY 22 + HG13 ILE 93 OK 35 87 - 40 - 6801/3.2=11, 6811/1.8=9...(10) H LYS 63 + HG13 ILE 93 OK 22 87 - 25 - 6811/1.8=5, 6801/3.2=4...(6) H LYS 63 - HG2 LYS 94 OK 22 57 - 39 - 285/2.9=5, 883/2.9=4...(16) H PHE 34 - HG13 ILE 93 OK 19 63 - 30 - 6806/2.1=8, 6801/3.2=8...(5) H LYS 86 - HG3 LYS 41 OK 17 80 - 21 - 3.0/3556=2, 997/1.8=2...(9) H GLY 22 - HG2 LYS 94 poor 7 57 - 12 - 4847/4.9=6 H PHE 34 - HG2 LYS 94 lone 4 38 - 9 - 1086/4.9=3, 4.6/4380=1 H LYS 63 - HG3 LYS 41 lone 2 64 - 4 - H GLY 22 - HG3 LYS 41 lone 2 64 - 4 - H PHE 34 - HG3 LYS 41 lone 2 44 - 5 - Peak 6811 from cnoeabs.peaks (8.00, 1.36, 24.52 ppm; 4.90 A): 4 out of 5 assignments used, quality = 0.87: H LYS 86 + HG12 ILE 93 OK 60 97 - 62 - 6658/2.1=26, 3.0/6823=11...(11) H GLY 22 + HG12 ILE 93 OK 40 100 - 41 - 6801/3.2=11, 6806/2.1=10...(9) H PHE 34 + HG12 ILE 93 OK 29 93 - 31 - 6806/2.1=10, 6801/3.2=8...(8) H LYS 63 + HG12 ILE 93 OK 21 100 - 21 - 6801/3.2=4, 285/3.0=4...(5) H VAL 30 - HG12 ILE 93 poor 7 60 - 11 - 5037/3.2=5, 6806/2.1=3 Peak 6812 from cnoeabs.peaks (9.16, 0.79, 14.80 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.97: H PHE 88 + QD1 ILE 93 OK 97 100 - 97 - 6799/3.1=42, 6710/2.1=39...(17) Peak 6813 from cnoeabs.peaks (6.21, 0.79, 14.80 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.91: QD PHE 88 + QD1 ILE 93 OK 77 100 - 77 - 2.5/6840=16, 6818/3.1=12...(29) QE TYR 33 + QD1 ILE 93 OK 62 99 - 63 - 5161=29, 2.2/6814=18...(14) Peak 6814 from cnoeabs.peaks (5.85, 0.79, 14.80 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.74: QD TYR 33 + QD1 ILE 93 OK 74 99 - 75 - 2.2/5161=31, 4855=22...(12) Peak 6815 from cnoeabs.peaks (4.95, 0.79, 14.80 ppm; 5.67 A): 3 out of 4 assignments used, quality = 0.98: HA VAL 95 + QD1 ILE 93 OK 86 98 - 88 - 3.2/6906=29, 3.2/6853=29...(16) HA VAL 18 + QD1 ILE 93 OK 68 99 - 69 - 3.2/6852=30, 6828/3.2=14...(9) HA ASN 52 + QD1 ILE 93 OK 44 89 - 50 - 2.9/4381=10, ~231=9...(12) HA ASN 24 - QD1 ILE 93 OK 12 99 - 11 - 2.9/4869=3, 6828/3.2=2 Peak 6816 from cnoeabs.peaks (4.66, 0.79, 14.80 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.91: HA PHE 83 + QD1 ILE 93 OK 80 100 - 80 - 3.0/6838=33, 3.0/6614=22...(17) HA PRO 92 + QD1 ILE 93 OK 48 100 - 49 - 423/5.0=20, 6822/2.1=10...(12) HA GLN 48 + QD1 ILE 93 OK 17 95 - 17 - 6822/2.1=3, 3.0/6842=2...(8) HB THR 26 - QD1 ILE 93 poor 9 63 - 13 - 2.1/4928=3, 3.0/4929=2...(6) Peak 6817 from cnoeabs.peaks (4.48, 0.79, 14.80 ppm; 4.69 A): 2 out of 4 assignments used, quality = 0.97: HA PHE 88 + QD1 ILE 93 OK 94 100 - 94 - 3.0/6840=29, 3.0/6812=22...(20) HA LYS 86 + QD1 ILE 93 OK 49 83 - 60 - 3.0/6658=22, 3.0/6841=18...(9) HA ASP 84 - QD1 ILE 93 OK 16 73 - 23 - 6635/6906=6, 6636/6853=5...(6) HA THR 46 - QD1 ILE 93 OK 11 96 - 12 - 4666/5161=4, 6823/2.1=2...(4) Peak 6818 from cnoeabs.peaks (6.22, 0.72, 18.30 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 88 + QG2 ILE 93 OK 91 99 - 91 - 4748=27, 2.5/6834=26...(23) QE TYR 33 + QG2 ILE 93 OK 62 100 - 62 - 5161/3.1=21, 5162=17...(15) Peak 6819 from cnoeabs.peaks (4.68, 0.72, 18.30 ppm; 4.22 A): 6 out of 7 assignments used, quality = 0.86: HA PHE 83 + QG2 ILE 93 OK 50 85 - 59 - ~6838=12, 6822/3.2=12...(16) HA GLU 87 + QG2 ILE 93 OK 39 78 - 50 - 3.6/6799=30, 7206/4.0=9...(8) HA PRO 92 + QG2 ILE 93 OK 30 76 - 40 - 423/4.0=17, 6822/3.2=7...(8) HA SER 96 + QG2 ILE 93 OK 14 87 - 16 - 6955/6848=4, 6955/6848=3...(5) HA LEU 53 + QG2 ILE 93 OK 14 78 - 18 - 4.3/7095=4, 7206/4.0=4...(5) HA GLN 48 + QG2 ILE 93 OK 13 97 - 13 - 6822/3.2=2, 3.8/6835=2...(5) HB THR 26 - QG2 ILE 93 lone 8 100 - 8 - 6822/3.2=2, ~4928=1 Peak 6820 from cnoeabs.peaks (4.52, 0.72, 18.30 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.81: HA3 GLY 20 + QG2 ILE 93 OK 81 97 - 84 - 4762=29, 4766/3.2=28...(10) HA ASN 43 - QG2 ILE 93 lone 5 93 - 5 - ~5530=1, 6860/4.4=1, ~5537=1 Peak 6821 from cnoeabs.peaks (6.22, 1.36, 24.52 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 88 + HG12 ILE 93 OK 96 99 - 96 - ~6840=27, 6818/3.2=27...(19) QE TYR 33 + HG12 ILE 93 OK 77 100 - 77 - ~6814=34, 5161/2.1=33...(7) Peak 6822 from cnoeabs.peaks (4.67, 1.36, 24.52 ppm; 4.72 A): 3 out of 5 assignments used, quality = 0.88: HA PHE 83 + HG12 ILE 93 OK 74 98 - 76 - ~6838=21, 6816/2.1=18...(16) HA PRO 92 + HG12 ILE 93 OK 46 95 - 49 - 3.5/1027=25, 6816/2.1=11...(10) HA GLN 48 + HG12 ILE 93 OK 14 100 - 13 - 6816/2.1=4, 6819/3.2=3...(4) HB THR 26 - HG12 ILE 93 lone 9 92 - 9 - ~4928=2, 6816/2.1=2...(4) HA SER 96 - HG12 ILE 93 lone 5 63 - 8 - 6819/3.2=3, 6954/6900=2 Peak 6823 from cnoeabs.peaks (4.47, 1.36, 24.52 ppm; 5.07 A): 2 out of 4 assignments used, quality = 0.96: HA PHE 88 + HG12 ILE 93 OK 89 93 - 96 - 3.0/6710=29, ~6799=22...(20) HA LYS 86 + HG12 ILE 93 OK 64 99 - 65 - ~6658=16, ~6841=14...(12) HA ASP 84 - HG12 ILE 93 OK 19 97 - 20 - 6635/6900=7, 7164/1.8=5...(4) HA THR 46 - HG12 ILE 93 OK 12 100 - 12 - 6817/2.1=2, 4666/6821=2...(4) Peak 6828 from cnoeabs.peaks (4.95, 1.81, 41.62 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.95: HA VAL 95 + HB ILE 93 OK 81 98 - 83 - 3.2/6845=20, 6861/4.4=18...(17) HA VAL 18 + HB ILE 93 OK 75 99 - 76 - 3.6/6797=32, 3.2/4720=20...(10) HA ASN 52 - HB ILE 93 OK 39 89 - 43 - ~231=9, 2.9/4377=9...(10) HA ASN 24 - HB ILE 93 lone 8 99 - 8 - ~4869=2, 6815/3.2=2, 4887/4899=1 Peak 6829 from cnoeabs.peaks (4.54, 5.15, 59.30 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.85: HA3 GLY 20 + HA ILE 93 OK 85 96 - 89 - 4766=47, 1.8/4765=40...(12) HA ASN 43 - HA ILE 93 lone 6 98 - 6 - 6860/3.6=2, ~5530=1 Peak 6830 from cnoeabs.peaks (3.73, 5.15, 59.30 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.95: HA2 GLY 20 + HA ILE 93 OK 93 100 - 93 - 4765=50, 1.8/4766=45...(13) HA VAL 30 + HA ILE 93 OK 26 93 - 28 - 6859/3.6=4, 3.6/6796=4...(9) HA2 GLY 64 - HA ILE 93 OK 24 96 - 26 - 5980/3.0=5, 5992/4.2=5...(10) HB THR 42 - HA ILE 93 lone 7 100 - 6 - 6859/3.6=2, 2140/3.0=2, ~2144=1 Peak 6831 from cnoeabs.peaks (2.18, 1.81, 41.62 ppm; 4.79 A): 2 out of 10 assignments used, quality = 0.97: HB2 PHE 88 + HB ILE 93 OK 95 100 - 95 - 6714/2.1=33, ~6834=25...(20) HB3 PRO 92 + HB ILE 93 OK 42 95 - 45 - 4373/4.0=12, 5043/2.1=7...(9) HB VAL 30 - HB ILE 93 OK 36 97 - 37 - 5043/2.1=10, ~5051=8...(9) HG3 PRO 92 - HB ILE 93 OK 35 98 - 36 - 4375/4.0=11, 6833/2.1=5...(8) HG3 GLU 87 - HB ILE 93 OK 21 92 - 23 - 5.0/1004=5, 4363/415=4...(6) HB3 LYS 35 - HB ILE 93 OK 18 78 - 23 - 3.8/4377=6, ~5229=4...(6) HB3 GLN 48 - HB ILE 93 OK 14 95 - 14 - 3.8/805=2, 6842/3.2=2...(6) HB2 PRO 73 - HB ILE 93 poor 9 85 - 11 - ~6841=4, 6842/3.2=2, 6833/2.1=1 HG2 GLU 65 - HB ILE 93 lone 8 97 - 9 - 5.0/304=2, 6833/2.1=1 HB3 GLU 58 - HB ILE 93 lone 1 68 - 2 - Peak 6832 from cnoeabs.peaks (2.88, 1.81, 41.62 ppm; 5.56 A): 2 out of 5 assignments used, quality = 0.95: HB3 PHE 88 + HB ILE 93 OK 93 96 - 97 - 6840/3.2=33, 6834/2.1=33...(20) HB3 PHE 97 + HB ILE 93 OK 32 100 - 32 - 6840/3.2=8, 6834/2.1=6...(8) HB2 ASN 91 - HB ILE 93 OK 22 65 - 34 - ~6775=11, 6775/2.1=8...(6) HB3 ASN 91 - HB ILE 93 OK 21 63 - 34 - ~6775=11, 6775/2.1=8...(6) HB2 ASN 24 - HB ILE 93 lone 4 65 - 6 - 3.0/6828=2, ~6815=1 Peak 6833 from cnoeabs.peaks (2.18, 0.72, 18.30 ppm; 3.35 A): 3 out of 10 assignments used, quality = 0.93: HB2 PHE 88 + QG2 ILE 93 OK 85 100 - 85 - 6714=27, 1.8/6834=25...(21) HB VAL 30 + QG2 ILE 93 OK 33 97 - 34 - 5043=9, 2.1/5051=7...(11) HB3 PRO 92 + QG2 ILE 93 OK 31 95 - 33 - 4.1/1026=8, 5043=6...(11) HG3 PRO 92 - QG2 ILE 93 OK 22 98 - 23 - 4375/4.0=5, 2.3/5043=4...(9) HG3 GLU 87 - QG2 ILE 93 OK 17 92 - 19 - 4363/6799=4, 3.8/6819=4...(8) HB3 LYS 35 - QG2 ILE 93 OK 12 78 - 15 - 3.8/4378=4, 1.8/5229=3...(7) HB3 GLN 48 - QG2 ILE 93 lone 9 95 - 9 - 3.0/6819=2, 6842/3.1=1 HB2 PRO 73 - QG2 ILE 93 lone 6 85 - 7 - ~6841=2, 3.8/6835=2, 6842/3.1=1 HG2 GLU 65 - QG2 ILE 93 lone 5 97 - 5 - HB3 GLU 58 - QG2 ILE 93 lone 1 68 - 1 - Peak 6834 from cnoeabs.peaks (2.88, 0.72, 18.30 ppm; 3.17 A): 4 out of 5 assignments used, quality = 0.85: HB3 PHE 88 + QG2 ILE 93 OK 76 96 - 80 - 6718=24, 1.8/6714=20...(20) HB3 PHE 97 + QG2 ILE 93 OK 14 100 - 14 - 6840/3.1=3, 4803/6848=2...(5) HB2 ASN 91 + QG2 ILE 93 OK 13 65 - 20 - 3.6/6802=8, 1.8/6775=5...(6) HB3 ASN 91 + QG2 ILE 93 OK 13 63 - 20 - 3.6/6802=8, 1.8/6775=5...(6) HB2 ASN 24 - QG2 ILE 93 lone 1 65 - 2 - Peak 6835 from cnoeabs.peaks (3.69, 0.72, 18.30 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.71: HA LEU 21 + QG2 ILE 93 OK 71 100 - 71 - 4815=26, 4.0/6848=18...(17) HD2 PRO 74 - QG2 ILE 93 lone 9 100 - 9 - 6837/3.1=3, ~6838=2 HB2 SER 69 - QG2 ILE 93 lone 8 99 - 8 - 4.0/6198=2, 6837/3.1=2 HD3 PRO 49 - QG2 ILE 93 lone 5 68 - 8 - 3.8/6819=1, 6837/3.1=1 HA2 GLY 47 - QG2 ILE 93 lone 5 83 - 6 - ~5580=1, 6837/3.1=1 Peak 6837 from cnoeabs.peaks (3.69, 0.79, 14.80 ppm; 5.24 A): 5 out of 5 assignments used, quality = 0.93: HA LEU 21 + QD1 ILE 93 OK 87 100 - 87 - 6835/3.1=33, 4.0/6850=25...(25) HD2 PRO 74 + QD1 ILE 93 OK 25 100 - 24 - 3.8/6841=6, 1.8/6838=6...(5) HB2 SER 69 + QD1 ILE 93 OK 15 99 - 15 - 6835/3.1=4, 1467/6850=2...(4) HA2 GLY 47 + QD1 ILE 93 OK 11 83 - 13 - ~7130=3, 6835/3.1=2, ~5580=2 HD3 PRO 49 + QD1 ILE 93 OK 10 68 - 15 - 3.8/6816=4, 6835/3.1=3...(5) Peak 6838 from cnoeabs.peaks (3.48, 0.79, 14.80 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.74: HB3 PHE 83 + QD1 ILE 93 OK 71 100 - 71 - 1.8/6614=18, 6616=17...(23) HD3 PRO 74 + QD1 ILE 93 OK 11 97 - 11 - 3.8/6841=3, 1.8/6837=3...(4) HB2 ASN 14 - QD1 ILE 93 lone 6 98 - 6 - 6884/6906=1 Peak 6839 from cnoeabs.peaks (3.40, 0.79, 14.80 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.80: HB2 PHE 83 + QD1 ILE 93 OK 45 57 - 79 - 1.8/6838=36, 2.4/6807=17...(19) HB2 PHE 34 + QD1 ILE 93 OK 45 90 - 49 - 4.4/6809=13, 5.8/4829=9...(10) HA ILE 80 + QD1 ILE 93 OK 33 89 - 38 - 4.2/6850=9, 4491/6838=7...(9) Peak 6840 from cnoeabs.peaks (2.87, 0.79, 14.80 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.93: HB3 PHE 88 + QD1 ILE 93 OK 91 100 - 91 - 6834/3.1=25, 2.5/6813=24...(22) HB3 PHE 97 + QD1 ILE 93 OK 23 98 - 24 - 6834/3.1=5, 4803/6850=4...(10) Peak 6841 from cnoeabs.peaks (2.29, 0.79, 14.80 ppm; 4.89 A): 2 out of 6 assignments used, quality = 0.61: HB3 LYS 86 + QD1 ILE 93 OK 54 99 - 55 - 4.0/6658=19, 3.0/6817=10...(14) HB3 PRO 73 + QD1 ILE 93 OK 17 97 - 17 - 3.8/6838=5, 3.8/6837=5 HG2 MET 50 - QD1 ILE 93 poor 10 92 - 11 - 2.9/6854=2, 2.9/5666=2, 5667=1 HG3 GLN 36 - QD1 ILE 93 lone 5 92 - 6 - 4734/6807=2 HG3 GLU 58 - QD1 ILE 93 lone 1 71 - 2 - HG2 GLU 28 - QD1 ILE 93 lone 1 68 - 2 - Peak 6842 from cnoeabs.peaks (2.18, 0.79, 14.80 ppm; 3.94 A): 3 out of 10 assignments used, quality = 0.95: HB2 PHE 88 + QD1 ILE 93 OK 89 100 - 89 - 1.8/6840=27, 6714/3.1=22...(23) HB3 PRO 92 + QD1 ILE 93 OK 32 95 - 34 - 2.3/6816=8, 4.1/1029=8...(9) HB VAL 30 + QD1 ILE 93 OK 26 97 - 27 - 5043/3.1=7, ~5051=4...(10) HG3 PRO 92 - QD1 ILE 93 OK 26 98 - 27 - 3.8/6816=6, 4375/5.0=6...(9) HG3 GLU 87 - QD1 ILE 93 OK 14 92 - 15 - 4363/6812=4, 6833/3.1=3...(5) HB2 PRO 73 - QD1 ILE 93 OK 12 85 - 14 - 1.8/6841=5, 3.8/6838=3 HB3 GLN 48 - QD1 ILE 93 OK 12 95 - 13 - 3.0/6816=3, 6833/3.1=1...(5) HB3 LYS 35 - QD1 ILE 93 OK 11 78 - 14 - 3.8/4381=4, ~5229=2...(5) HG2 GLU 65 - QD1 ILE 93 lone 6 97 - 6 - HB3 GLU 58 - QD1 ILE 93 lone 1 68 - 2 - Peak 6843 from cnoeabs.peaks (-0.18, 1.81, 41.62 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 21 + HB ILE 93 OK 93 99 - 94 - 6848/2.1=36, 6850/3.2=24...(21) QD1 ILE 80 + HB ILE 93 OK 41 100 - 41 - 6848/2.1=13, 6850/3.2=13...(10) Peak 6844 from cnoeabs.peaks (0.87, 1.81, 41.62 ppm; 3.57 A): 5 out of 8 assignments used, quality = 0.86: QG1 VAL 18 + HB ILE 93 OK 71 100 - 71 - 4720=21, 4702/3.0=18...(14) QD1 ILE 51 + HB ILE 93 OK 27 100 - 27 - 2524/2.1=8, 6852/3.2=7...(7) QG2 VAL 30 + HB ILE 93 OK 18 76 - 23 - 5051/2.1=6, ~5043=4...(8) QG1 VAL 30 + HB ILE 93 OK 13 60 - 21 - ~5051=5, ~5043=4...(7) QG2 ILE 80 + HB ILE 93 OK 13 68 - 18 - 3.0/6843=5, ~6848=4...(6) QG2 ILE 39 - HB ILE 93 lone 8 90 - 9 - 3.8/162=2, 6852/3.2=1 QG2 THR 42 - HB ILE 93 lone 7 100 - 7 - 6852/3.2=2, 6855/4.4=1 QG2 ILE 37 - HB ILE 93 lone 3 81 - 3 - Peak 6845 from cnoeabs.peaks (1.09, 1.81, 41.62 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.97: HG LEU 21 + HB ILE 93 OK 82 99 - 83 - ~6848=21, 2.1/6843=20...(15) QG2 VAL 95 + HB ILE 93 OK 81 100 - 81 - 6906/3.2=22, 6897=18...(19) QG2 THR 99 - HB ILE 93 lone 4 93 - 4 - Peak 6846 from cnoeabs.peaks (1.12, 0.72, 18.30 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.90: HG LEU 21 + QG2 ILE 93 OK 76 92 - 82 - 2.1/6848=30, 2.1/6847=15...(22) QG2 VAL 95 + QG2 ILE 93 OK 58 85 - 69 - 6906/3.1=16, 2.1/6027=12...(20) QG2 THR 46 - QG2 ILE 93 lone 6 96 - 6 - ~5559=1 Peak 6847 from cnoeabs.peaks (0.29, 0.72, 18.30 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 21 + QG2 ILE 93 OK 94 98 - 96 - 2.1/6848=36, 2.1/6846=25...(37) QG2 VAL 68 + QG2 ILE 93 OK 53 100 - 53 - 6123=10, 3.2/6118=7...(21) Peak 6848 from cnoeabs.peaks (-0.17, 0.72, 18.30 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.76: QD2 LEU 21 + QG2 ILE 93 OK 68 96 - 72 - 4820=20, 2.1/6846=12...(22) QD1 ILE 80 + QG2 ILE 93 OK 25 100 - 25 - 6850/3.1=5, 6843/2.1=4...(8) Peak 6849 from cnoeabs.peaks (0.28, 0.79, 14.80 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 21 + QD1 ILE 93 OK 95 100 - 95 - 2.1/6850=31, ~6848=23...(36) QD1 ILE 16 - QD1 ILE 93 OK 36 83 - 44 - 6909/6906=6, 4599/6853=6...(20) QG2 VAL 68 - QD1 ILE 93 OK 36 85 - 42 - 6847/3.1=11, 6154/4833=4...(16) Peak 6850 from cnoeabs.peaks (-0.19, 0.79, 14.80 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 21 + QD1 ILE 93 OK 87 100 - 87 - 6848/3.1=23, 2.1/6851=19...(31) QD1 ILE 80 + QD1 ILE 93 OK 46 97 - 48 - 6848/3.1=8, 6843/3.2=6...(18) Peak 6851 from cnoeabs.peaks (1.10, 0.79, 14.80 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.92: QG2 VAL 95 + QD1 ILE 93 OK 74 100 - 75 - 6906=29, 2.1/6853=14...(22) HG LEU 21 + QD1 ILE 93 OK 67 100 - 67 - 2.1/6850=15, 6845/3.2=8...(22) QG2 THR 99 - QD1 ILE 93 lone 3 85 - 3 - QG2 THR 46 - QD1 ILE 93 lone 3 57 - 5 - Peak 6852 from cnoeabs.peaks (0.88, 0.79, 14.80 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.56: QG1 VAL 18 + QD1 ILE 93 OK 45 97 - 47 - 4702/4.2=10, 4720/3.2=8...(16) QD1 ILE 51 + QD1 ILE 93 OK 20 99 - 20 - 3.2/3840=6, 2524/3.1=5...(4) QG2 THR 42 - QD1 ILE 93 lone 4 100 - 4 - QG2 ILE 39 - QD1 ILE 93 lone 4 99 - 4 - Peak 6853 from cnoeabs.peaks (0.97, 0.79, 14.80 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.81: QG1 VAL 95 + QD1 ILE 93 OK 69 96 - 73 - 2.1/6906=26, ~6900=12...(21) QB ALA 66 + QD1 ILE 93 OK 29 99 - 29 - 6027/3.1=7, ~6020=4...(11) QD1 ILE 27 + QD1 ILE 93 OK 13 83 - 15 - 2.1/6854=2, 4979/3.1=2...(4) Peak 6854 from cnoeabs.peaks (1.65, 0.79, 14.80 ppm; 5.09 A): 8 out of 11 assignments used, quality = 0.94: HB VAL 18 + QD1 ILE 93 OK 70 95 - 75 - 2.1/6852=31, ~4720=13...(16) QB ALA 79 + QD1 ILE 93 OK 32 87 - 37 - 3.7/6807=8, 6475/6853=5...(13) HG12 ILE 40 + QD1 ILE 93 OK 26 97 - 26 - ~5441=4, 2.1/3840=3...(11) HG12 ILE 27 + QD1 ILE 93 OK 23 99 - 23 - 2.1/6853=6, 4.6/4955=2...(6) HD2 LYS 94 + QD1 ILE 93 OK 20 65 - 31 - 6.1/436=11, ~3868=3...(8) HD3 LYS 94 + QD1 ILE 93 OK 20 65 - 31 - 6.1/436=11, ~3868=3...(8) HB2 MET 50 + QD1 ILE 93 OK 15 100 - 15 - 2.9/6841=4, 1.8/5666=2 HG3 GLN 19 + QD1 ILE 93 OK 12 100 - 12 - ~4734=3, ~4733=2...(4) HD2 LYS 41 - QD1 ILE 93 lone 5 73 - 7 - HD3 LYS 41 - QD1 ILE 93 lone 5 73 - 7 - HB3 LYS 61 - QD1 ILE 93 lone 4 99 - 4 - Peak 6858 from cnoeabs.peaks (1.10, 5.19, 53.90 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.92: QG2 VAL 95 + HA LYS 94 OK 87 100 - 87 - 4.0/4382=31, 6881=20...(22) HG LEU 21 + HA LYS 94 OK 31 100 - 31 - 6856/3.0=10, 1043/3.6=6...(9) QG2 THR 99 + HA LYS 94 OK 11 85 - 13 - 4.9/7001=3, 1043/3.6=3 QG2 THR 46 - HA LYS 94 poor 8 57 - 13 - 4.3/6870=4, 3.2/6864=3...(4) Peak 6862 from cnoeabs.peaks (3.19, 5.19, 53.90 ppm; 4.57 A): 3 out of 5 assignments used, quality = 0.79: HB2 ASP 84 + HA LYS 94 OK 67 100 - 67 - 6620/3.6=29, 3.0/6626=27...(7) HB2 PHE 97 + HA LYS 94 OK 31 99 - 31 - 4.0/6956=8, 4.4/6996=6...(8) HB3 TYR 54 + HA LYS 94 OK 10 63 - 16 - ~4704=3, 5836/3.0=3...(7) HD3 ARG 57 - HA LYS 94 lone 7 85 - 8 - 6874/3.6=2 HD2 ARG 57 - HA LYS 94 lone 6 81 - 7 - 6874/3.6=2 Peak 6863 from cnoeabs.peaks (3.90, 5.19, 53.90 ppm; 5.04 A): 2 out of 5 assignments used, quality = 0.75: HA2 GLY 85 + HA LYS 94 OK 68 87 - 79 - 3.0/6870=35, 6645=25...(10) HA ALA 31 + HA LYS 94 OK 23 98 - 23 - 4436/3.0=9, ~6868=4...(6) HA2 GLY 38 - HA LYS 94 lone 4 81 - 5 - 5340/3.0=1 HB3 SER 75 - HA LYS 94 lone 2 92 - 2 - HD3 PRO 73 - HA LYS 94 lone 2 85 - 2 - Peak 6864 from cnoeabs.peaks (4.47, 5.19, 53.90 ppm; 4.04 A): 3 out of 4 assignments used, quality = 0.83: HA ASP 84 + HA LYS 94 OK 68 90 - 76 - 6626=33, 6619/3.6=26...(12) HA LYS 86 + HA LYS 94 OK 38 96 - 40 - 3.0/6669=16, 6875/3.6=5...(11) HA THR 46 + HA LYS 94 OK 13 100 - 13 - 3.6/6870=4, 6875/3.6=3 HA PHE 88 - HA LYS 94 lone 3 99 - 3 - Peak 6865 from cnoeabs.peaks (2.12, 1.82, 34.87 ppm; 4.32 A): 3 out of 6 assignments used, quality = 0.72: HB2 GLN 19 + HB2 LYS 94 OK 61 100 - 61 - 6866/1.8=22, 4.0/6871=14...(7) HG3 GLU 65 + HB2 LYS 94 OK 18 85 - 21 - 6866/1.8=7, ~7114=4...(7) HB2 GLN 36 + HB2 LYS 94 OK 14 99 - 14 - 6857/4.0=4, 6866/1.8=4...(4) HB3 LYS 77 - HB2 LYS 94 lone 5 97 - 5 - 6866/1.8=1 HB2 GLU 58 - HB2 LYS 94 lone 4 93 - 4 - 6866/1.8=1 HG2 PRO 74 - HB2 LYS 94 lone 4 96 - 4 - 6866/1.8=1 Peak 6866 from cnoeabs.peaks (2.13, 1.54, 34.87 ppm; 4.21 A): 3 out of 7 assignments used, quality = 0.75: HB2 GLN 19 + HB3 LYS 94 OK 64 92 - 70 - 6865/1.8=20, 4732=17...(9) HG3 GLU 65 + HB3 LYS 94 OK 22 98 - 23 - 3.0/7114=6, 6865/1.8=6...(7) HB2 GLN 36 + HB3 LYS 94 OK 12 89 - 14 - 6865/1.8=5, 6857/4.0=4...(4) HB3 LYS 77 - HB3 LYS 94 lone 4 81 - 5 - 6865/1.8=2 HB2 GLU 58 - HB3 LYS 94 lone 4 100 - 3 - 6865/1.8=1 HG2 PRO 74 - HB3 LYS 94 lone 3 78 - 4 - 6865/1.8=1 HB3 GLU 58 - HB3 LYS 94 lone 2 60 - 3 - ~6865=1 Peak 6867 from cnoeabs.peaks (4.96, 1.82, 34.87 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.97: HA VAL 95 + HB2 LYS 94 OK 93 100 - 93 - 3.0/4383=42, ~4382=26...(21) HA VAL 18 + HB2 LYS 94 OK 49 100 - 49 - 3.6/6871=20, 6861/4.0=12...(8) HA ASN 52 - HB2 LYS 94 OK 14 76 - 18 - 2.9/3854=4, ~3864=3...(6) HA ASN 24 - HB2 LYS 94 lone 3 96 - 3 - Peak 6870 from cnoeabs.peaks (8.62, 5.19, 53.90 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.87: H GLY 85 + HA LYS 94 OK 84 100 - 85 - 6627=35, 6640/3.6=26...(14) H GLY 47 + HA LYS 94 OK 16 78 - 20 - 6925/3.6=5, 5548/3.0=4...(7) Peak 6871 from cnoeabs.peaks (8.72, 1.82, 34.87 ppm; 4.69 A): 3 out of 3 assignments used, quality = 0.81: H GLN 19 + HB2 LYS 94 OK 70 100 - 70 - 6872/1.8=27, 4745/4.0=25...(10) H ILE 40 + HB2 LYS 94 OK 25 96 - 26 - 162=7, 6872/1.8=7...(6) H ALA 31 + HB2 LYS 94 OK 17 85 - 19 - 6868/4.0=6, 6872/1.8=5, ~6863=4 Peak 6872 from cnoeabs.peaks (8.73, 1.54, 34.87 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.83: H GLN 19 + HB3 LYS 94 OK 75 100 - 76 - 4745/4.0=24, 6871/1.8=24...(9) H ILE 40 + HB3 LYS 94 OK 19 89 - 21 - 6871/1.8=9, 6868/4.0=6...(4) H ALA 31 + HB3 LYS 94 OK 15 73 - 20 - 6871/1.8=6, 6868/4.0=6, ~6863=4 Peak 6876 from cnoeabs.peaks (5.18, 1.95, 34.67 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.96: HA LYS 94 + HB VAL 95 OK 87 99 - 88 - 4382/3.9=40, 6858/2.1=28...(14) HA ILE 16 + HB VAL 95 OK 71 100 - 71 - 4579/2.1=21, 6881/2.1=16...(12) Peak 6877 from cnoeabs.peaks (4.45, 1.95, 34.67 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.95: HA ASP 84 + HB VAL 95 OK 95 99 - 96 - 6635/2.1=34, 6619/3.9=30...(22) HA LYS 86 - HB VAL 95 OK 23 97 - 24 - ~6657=10, 6882/2.1=7...(5) HA THR 46 - HB VAL 95 OK 12 85 - 13 - 6882/2.1=4, 3.6/5579=3...(5) HA MET 50 - HB VAL 95 lone 3 68 - 4 - 3.0/218=1 HA THR 59 - HB VAL 95 lone 2 83 - 2 - Peak 6878 from cnoeabs.peaks (3.43, 1.95, 34.67 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.94: HA ILE 80 + HB VAL 95 OK 81 97 - 84 - 6513=25, 6499/2.1=25...(18) HB2 PHE 83 + HB VAL 95 OK 69 100 - 69 - 6604/2.1=22, ~6884=18...(9) HB2 PHE 70 - HB VAL 95 OK 25 98 - 25 - 1.8/6880=6, 6883/2.1=4...(8) HB2 PHE 34 - HB VAL 95 OK 22 96 - 23 - 6883/2.1=6, 1.8/6880=5...(5) HB2 SER 89 - HB VAL 95 lone 1 78 - 1 - Peak 6879 from cnoeabs.peaks (3.20, 1.95, 34.67 ppm; 3.96 A): 4 out of 4 assignments used, quality = 0.93: HB2 ASP 84 + HB VAL 95 OK 87 97 - 90 - 6630=25, 6620/3.9=20...(18) HB2 PHE 97 + HB VAL 95 OK 32 99 - 33 - 6885/2.1=8, ~6887=6...(9) HD3 ARG 57 + HB VAL 95 OK 12 100 - 12 - 6885/2.1=3, ~6885=2...(5) HD2 ARG 57 + HB VAL 95 OK 12 99 - 12 - 6885/2.1=3, ~6885=2...(5) Peak 6880 from cnoeabs.peaks (2.77, 1.95, 34.67 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.96: HB3 ASP 84 + HB VAL 95 OK 93 100 - 94 - 1.8/6879=27, 3.0/6877=23...(17) HB3 PHE 70 + HB VAL 95 OK 36 99 - 36 - 6631=8, 6236/2.1=7...(10) HB3 PHE 34 - HB VAL 95 OK 30 100 - 30 - 6886/2.1=9, ~6883=5...(8) HB2 ASP 32 - HB VAL 95 lone 8 89 - 9 - 6886/2.1=2, 6518/6517=2...(4) Peak 6881 from cnoeabs.peaks (5.18, 1.10, 22.24 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.96: HA LYS 94 + QG2 VAL 95 OK 80 95 - 85 - 3.6/3944=28, 6858=25...(21) HA ILE 16 + QG2 VAL 95 OK 65 99 - 66 - 4.2/6909=15, 4579/2.1=14...(17) HA ILE 93 + QG2 VAL 95 OK 38 60 - 63 - 4.2/6906=16, 3.0/6845=13...(12) Peak 6882 from cnoeabs.peaks (4.46, 1.10, 22.24 ppm; 3.38 A): 2 out of 5 assignments used, quality = 0.91: HA ASP 84 + QG2 VAL 95 OK 88 100 - 88 - 6635=37, 6619/4.0=18...(21) HA LYS 86 + QG2 VAL 95 OK 22 99 - 22 - 3.0/6657=9, 6877/2.1=4...(5) HA PHE 88 - QG2 VAL 95 poor 10 65 - 15 - 3.7/6915=6, 3.0/6887=3...(6) HA THR 46 - QG2 VAL 95 poor 10 92 - 10 - 3.6/6928=3, 6877/2.1=2 HA THR 59 - QG2 VAL 95 lone 1 73 - 1 - Peak 6883 from cnoeabs.peaks (3.42, 1.10, 22.24 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.95: HA ILE 80 + QG2 VAL 95 OK 84 99 - 84 - 6499/2.1=22, 6500=17...(22) HB2 PHE 83 + QG2 VAL 95 OK 72 99 - 73 - 1.8/6884=26, 6604=20...(14) HB2 PHE 34 - QG2 VAL 95 OK 34 99 - 34 - 4.4/6916=8, 1.8/6886=5...(11) HB2 PHE 70 - QG2 VAL 95 OK 21 93 - 23 - 1.8/6236=4, 6878/2.1=3...(9) HB2 SER 89 - QG2 VAL 95 lone 2 65 - 3 - 6728/6915=1 Peak 6884 from cnoeabs.peaks (3.49, 1.10, 22.24 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.77: HB3 PHE 83 + QG2 VAL 95 OK 72 100 - 72 - 6605=21, 1.8/6604=18...(15) HB2 ASN 14 + QG2 VAL 95 OK 17 100 - 16 - 4530/2.1=4, 6891/2.1=4...(4) HA ILE 27 - QG2 VAL 95 lone 5 65 - 8 - 6891/2.1=1 HD3 PRO 74 - QG2 VAL 95 lone 5 92 - 5 - 6891/2.1=1 Peak 6885 from cnoeabs.peaks (3.20, 1.10, 22.24 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.96: HB2 ASP 84 + QG2 VAL 95 OK 93 99 - 93 - 3.0/6635=27, 6637=24...(19) HB2 PHE 97 + QG2 VAL 95 OK 43 100 - 43 - 6960=9, 1.8/6962=9...(14) HD3 ARG 57 - QG2 VAL 95 OK 15 98 - 15 - 6879/2.1=3, ~6879=2...(7) HD2 ARG 57 - QG2 VAL 95 OK 15 97 - 15 - 6879/2.1=3, ~6879=2...(7) Peak 6886 from cnoeabs.peaks (2.76, 1.10, 22.24 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.95: HB3 ASP 84 + QG2 VAL 95 OK 90 93 - 96 - 3.0/6635=32, 1.8/6637=27...(18) HB3 PHE 34 + QG2 VAL 95 OK 53 98 - 54 - 4.4/6916=16, 5.8/6916=12...(13) HB3 PHE 70 - QG2 VAL 95 OK 35 89 - 39 - 6236=8, 6880/2.1=8...(8) HB2 ASP 32 - QG2 VAL 95 OK 13 99 - 13 - 3.9/6926=2, 6880/2.1=2 Peak 6887 from cnoeabs.peaks (2.89, 1.10, 22.24 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.76: HB3 PHE 97 + QG2 VAL 95 OK 56 100 - 56 - 1.8/6960=15, 6962=14...(12) HB3 PHE 88 + QG2 VAL 95 OK 46 89 - 52 - 2.5/6915=23...(9) HB2 ASN 91 - QG2 VAL 95 lone 6 78 - 7 - 6775/6846=2, 6832/6845=1 HB3 ASN 91 - QG2 VAL 95 lone 6 76 - 7 - 6775/6846=2, 6832/6845=1 HB2 ASN 24 - QG2 VAL 95 lone 4 78 - 5 - Peak 6888 from cnoeabs.peaks (5.18, 0.98, 24.04 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 16 + QG1 VAL 95 OK 85 100 - 85 - 4579=22, 3.0/4583=22...(16) HA LYS 94 + QG1 VAL 95 OK 83 100 - 83 - 4382/4.0=34, 6858/2.1=24...(19) HA ILE 16 - QB ALA 66 OK 32 62 - 52 - 4579=13, 3.6/4671=10...(14) HA LYS 94 - QB ALA 66 lone 6 62 - 10 - 6935/451=1, 3.0/6052=1 Peak 6890 from cnoeabs.peaks (3.42, 0.98, 24.04 ppm; 3.25 A): 3 out of 8 assignments used, quality = 0.95: HA ILE 80 + QG1 VAL 95 OK 83 100 - 83 - 6499=31, 6513/2.1=15...(21) HB2 PHE 83 + QG1 VAL 95 OK 62 97 - 64 - 6604/2.1=15, ~6884=13...(15) HB2 PHE 34 + QG1 VAL 95 OK 29 100 - 29 - 4.4/4688=6, 6883/2.1=5...(10) HA ILE 80 - QB ALA 66 OK 25 62 - 40 - 6499=13, 3.8/6503=5...(10) HB2 PHE 70 - QG1 VAL 95 OK 19 87 - 21 - 6878/2.1=3, 6883/2.1=3...(8) HB2 PHE 83 - QB ALA 66 poor 7 57 - 13 - 1.8/6615=3, 4.0/6608=2...(5) HB2 PHE 34 - QB ALA 66 poor 7 62 - 11 - 4.4/4688=4, 5.8/4827=2 HB2 PHE 70 - QB ALA 66 lone 2 48 - 4 - ~4709=1 Peak 6891 from cnoeabs.peaks (3.49, 0.98, 24.04 ppm; 4.32 A): 3 out of 8 assignments used, quality = 0.91: HB3 PHE 83 + QG1 VAL 95 OK 86 100 - 86 - 6884/2.1=33, 6615=23...(14) HB2 ASN 14 + QG1 VAL 95 OK 25 100 - 25 - 6884/2.1=8, 4530/2.1=7...(7) HB3 PHE 83 + QB ALA 66 OK 16 62 - 26 - 6615=7, 4.0/6608=5...(8) HA ILE 27 - QG1 VAL 95 poor 9 65 - 14 - 6884/2.1=2, 3.0/6894=2 HD3 PRO 74 - QG1 VAL 95 lone 8 92 - 8 - 6884/2.1=2, 6838/6853=1 HA ILE 27 - QB ALA 66 poor 6 34 - 19 - 4959/6028=3, 5810/5826=3...(7) HB2 ASN 14 - QB ALA 66 lone 2 61 - 4 - HD3 PRO 74 - QB ALA 66 lone 2 52 - 4 - Peak 6892 from cnoeabs.peaks (3.19, 0.98, 24.04 ppm; 4.64 A): 2 out of 10 assignments used, quality = 0.97: HB2 ASP 84 + QG1 VAL 95 OK 95 99 - 96 - 6638=28, 6620/4.0=26...(19) HB2 PHE 97 + QG1 VAL 95 OK 47 97 - 49 - 4.0/6965=12, 6960/2.1=10...(10) HB3 TYR 54 - QB ALA 66 OK 30 39 - 78 - ~4698=29, ~5846=23...(10) HB3 TYR 54 - QG1 VAL 95 OK 19 73 - 26 - 2.5/4706=8, 4.1/5828=6...(8) HD3 ARG 57 - QG1 VAL 95 OK 14 76 - 18 - 6885/2.1=3, ~6885=3...(5) HD2 ARG 57 - QG1 VAL 95 OK 13 71 - 17 - 6885/2.1=3, ~6885=3...(5) HB2 PHE 97 - QB ALA 66 poor 9 58 - 16 - 4.0/6965=7, ~7141=3, 6969/6505=2 HB2 ASP 84 - QB ALA 66 poor 8 59 - 13 - 6638=4, 4.0/6633=2...(5) HD3 ARG 57 - QB ALA 66 lone 1 40 - 2 - HD2 ARG 57 - QB ALA 66 lone 1 37 - 2 - Peak 6893 from cnoeabs.peaks (2.80, 0.98, 24.04 ppm; 5.09 A): 5 out of 14 assignments used, quality = 0.94: HB3 ASP 84 + QG1 VAL 95 OK 71 73 - 97 - 1.8/6638=30, 3.0/6636=30...(16) HB2 PHE 17 + QG1 VAL 95 OK 44 83 - 53 - 4.0/6930=21, 4.4/4708=15...(6) HB2 TYR 54 + QB ALA 66 OK 30 35 - 85 - ~4698=35, ~5846=28...(12) HB3 PHE 34 + QG1 VAL 95 OK 30 60 - 49 - 4.4/4688=15, 5.8/4827=11...(11) HB3 PHE 70 + QG1 VAL 95 OK 29 81 - 36 - 6237=7, 6236/2.1=7...(10) HB2 PHE 17 - QB ALA 66 OK 28 45 - 63 - ~6051=17, 3.0/4668=16...(12) HB2 TYR 54 - QG1 VAL 95 OK 22 68 - 32 - 2.5/4706=9, 4.1/5828=8...(9) HB3 TYR 33 - QG1 VAL 95 poor 9 89 - 10 - 7179/4688=3, 4.3/6921=3 HB3 PHE 34 - QB ALA 66 poor 7 30 - 23 - 4.4/4688=9, 5.8/4827=6...(5) HB2 ASP 72 - QG1 VAL 95 lone 6 83 - 7 - 6938/4.2=1, 626/6930=1 HB3 ASP 84 - QB ALA 66 poor 5 39 - 12 - 1.8/6638=4, 4.0/6633=3...(4) HB3 PHE 70 - QB ALA 66 lone 4 43 - 9 - ~4709=3, ~6050=1 HB3 TYR 33 - QB ALA 66 lone 4 49 - 7 - 7179/4688=2 HB2 ASP 72 - QB ALA 66 lone 3 45 - 6 - 6086/4.4=2 Peak 6894 from cnoeabs.peaks (1.85, 0.98, 24.04 ppm; 3.47 A): 4 out of 22 assignments used, quality = 0.88: HB ILE 16 + QG1 VAL 95 OK 77 100 - 78 - 4583=29, 3.2/4599=17...(16) HB ILE 16 + QB ALA 66 OK 27 61 - 45 - 4583=12, 3.2/4599=9...(11) HB ILE 37 + QG1 VAL 95 OK 16 100 - 16 - 4583=4, 2.1/6913=2...(6) HB3 GLU 65 + QB ALA 66 OK 13 30 - 44 - 3.0/5999=12, ~302=9...(9) HB ILE 27 - QG1 VAL 95 poor 10 95 - 10 - 6941/4.2=1, 3.0/6891=1 HB ILE 27 - QB ALA 66 poor 7 54 - 14 - 3.0/6039=4, 4962/6028=2...(4) HD3 LYS 77 - QG1 VAL 95 lone 5 93 - 5 - 6426/6505=2 HB ILE 37 - QB ALA 66 lone 5 62 - 8 - 4583=1 HB2 LYS 61 - QG1 VAL 95 lone 4 92 - 5 - HB2 PRO 74 - QG1 VAL 95 lone 4 90 - 4 - 3.0/6891=1 HB3 GLU 65 - QG1 VAL 95 lone 4 60 - 6 - 3.0/5999=2, 4721/6912=1 HB2 LYS 63 - QG1 VAL 95 lone 3 63 - 4 - 3.9/287=1 HD3 LYS 77 - QB ALA 66 lone 2 53 - 4 - 6426/6505=1 HB2 LYS 61 - QB ALA 66 lone 2 52 - 4 - HB2 LYS 44 - QG1 VAL 95 lone 2 99 - 2 - HB3 LYS 44 - QG1 VAL 95 lone 2 97 - 2 - HB2 PRO 74 - QB ALA 66 lone 1 51 - 3 - HB2 PRO 92 - QG1 VAL 95 lone 1 93 - 1 - HB2 LYS 63 - QB ALA 66 lone 1 32 - 3 - HB2 PRO 92 - QB ALA 66 lone 1 53 - 2 - HB2 LYS 44 - QB ALA 66 lone 1 60 - 2 - HB3 LYS 44 - QB ALA 66 lone 1 58 - 2 - Peak 6895 from cnoeabs.peaks (1.65, 0.98, 24.04 ppm; 3.49 A): 6 out of 38 assignments used, quality = 0.94: HB VAL 18 + QG1 VAL 95 OK 69 90 - 76 - 2.1/6912=25, ~6907=20...(19) QB ALA 79 + QG1 VAL 95 OK 47 92 - 52 - 6475=19, 3.7/6496=14...(11) HB VAL 18 + QB ALA 66 OK 27 51 - 54 - 4714=14, 2.1/6912=11...(12) HD3 LYS 94 + QG1 VAL 95 OK 20 73 - 28 - 4.7/6888=5, 6898/2.1=4...(8) HD2 LYS 94 + QG1 VAL 95 OK 20 73 - 28 - 4.7/6888=5, 6898/2.1=4...(8) QB ALA 79 + QB ALA 66 OK 15 52 - 28 - 6475=10, 3.7/6496=5...(8) HG12 ILE 27 - QG1 VAL 95 lone 9 100 - 9 - 2.8/6894=1, 3.8/6891=1 HG3 GLN 19 - QB ALA 66 poor 9 61 - 15 - 6035/2.9=5, ~303=4...(4) HG12 ILE 40 - QG1 VAL 95 lone 8 95 - 8 - HG3 GLN 19 - QG1 VAL 95 lone 7 99 - 7 - ~4741=2, 6898/2.1=1 HG12 ILE 27 - QB ALA 66 poor 6 61 - 10 - 3.8/6039=3, 2.8/6894=1 HB2 MET 50 - QG1 VAL 95 lone 6 100 - 6 - HG3 ARG 57 - QG1 VAL 95 lone 5 65 - 7 - ~6885=1, ~6879=1...(4) HB3 LYS 61 - QG1 VAL 95 lone 5 100 - 4 - HG2 ARG 57 - QG1 VAL 95 lone 4 60 - 7 - ~6885=1, ~6879=1...(4) HG12 ILE 40 - QB ALA 66 lone 4 54 - 8 - 6035/2.9=1, ~6020=1 HB ILE 40 - QG1 VAL 95 lone 3 60 - 6 - HD3 LYS 63 - QG1 VAL 95 lone 3 63 - 5 - HB2 MET 50 - QB ALA 66 lone 3 62 - 4 - HD3 LYS 61 - QG1 VAL 95 lone 2 63 - 4 - HD2 LYS 61 - QG1 VAL 95 lone 2 63 - 4 - HB3 LYS 61 - QB ALA 66 lone 2 61 - 4 - HD2 LYS 44 - QG1 VAL 95 lone 2 63 - 3 - HD3 LYS 44 - QG1 VAL 95 lone 2 60 - 3 - HD2 LYS 41 - QG1 VAL 95 lone 2 65 - 2 - HD3 LYS 41 - QG1 VAL 95 lone 2 65 - 2 - HD3 LYS 94 - QB ALA 66 lone 1 39 - 3 - HD2 LYS 94 - QB ALA 66 lone 1 39 - 3 - HB ILE 40 - QB ALA 66 lone 1 30 - 4 - HD3 LYS 63 - QB ALA 66 lone 1 32 - 3 - HD2 LYS 41 - QB ALA 66 lone 1 34 - 2 - HD3 LYS 41 - QB ALA 66 lone 1 34 - 2 - HD2 LYS 61 - QB ALA 66 lone 1 32 - 2 - HD3 LYS 61 - QB ALA 66 lone 1 32 - 2 - HD2 LYS 44 - QB ALA 66 lone 1 32 - 2 - HD3 LYS 44 - QB ALA 66 lone 0 30 - 2 - HG3 ARG 57 - QB ALA 66 lone 0 34 - 1 - HG2 ARG 57 - QB ALA 66 lone 0 30 - 1 - Peak 6896 from cnoeabs.peaks (1.45, 0.98, 24.04 ppm; 3.55 A): 5 out of 20 assignments used, quality = 0.95: HG12 ILE 80 + QG1 VAL 95 OK 77 100 - 78 - 6503=20, 2.1/6505=17...(15) QG2 THR 67 + QB ALA 66 OK 40 62 - 64 - 3027/4.4=20, 3026/3.5=15...(15) HG12 ILE 80 + QB ALA 66 OK 32 62 - 52 - 6503=12, 2.1/6505=10...(13) QG2 THR 67 + QG1 VAL 95 OK 30 100 - 30 - 6101=5, 3.2/6097=4...(11) HB ILE 51 + QB ALA 66 OK 30 62 - 48 - ~5716=13, ~6020=8...(14) HG3 LYS 94 - QG1 VAL 95 OK 30 95 - 32 - 4.0/6888=7, 442/4.0=6...(9) HG13 ILE 51 - QB ALA 66 OK 16 43 - 37 - ~5716=10, ~6020=7...(12) QB ALA 31 - QG1 VAL 95 OK 13 98 - 14 - 5095/2.1=2, ~6929=2 HB ILE 51 - QG1 VAL 95 OK 13 100 - 13 - 4.4/5768=2, 2.1/6027=1 HG13 ILE 51 - QG1 VAL 95 lone 7 81 - 9 - 5757/6125=1, ~6905=1 QB ALA 31 - QB ALA 66 poor 7 58 - 11 - 2.9/5083=2, 5081/6039=1...(4) HG3 LYS 63 - QG1 VAL 95 lone 6 81 - 7 - 442/4.0=1 HG2 LYS 63 - QG1 VAL 95 lone 6 81 - 7 - 442/4.0=1 HB2 LYS 41 - QG1 VAL 95 lone 4 92 - 5 - HG2 LYS 63 - QB ALA 66 lone 3 43 - 7 - HG3 LYS 63 - QB ALA 66 lone 3 43 - 7 - HG3 LYS 94 - QB ALA 66 lone 3 54 - 5 - HG2 LYS 44 - QG1 VAL 95 lone 3 87 - 3 - HB2 LYS 41 - QB ALA 66 lone 2 52 - 4 - HG2 LYS 44 - QB ALA 66 lone 1 48 - 3 - Peak 6897 from cnoeabs.peaks (1.82, 1.10, 22.24 ppm; 3.78 A): 2 out of 9 assignments used, quality = 0.93: HB ILE 93 + QG2 VAL 95 OK 76 99 - 78 - 3.2/6906=20, 6845=19...(17) HB2 LYS 94 + QG2 VAL 95 OK 68 99 - 69 - 4383/4.0=21, 3.0/6858=16...(17) HB2 GLN 48 - QG2 VAL 95 OK 22 97 - 22 - 5612/2.1=17, 439/4.0=2...(4) HG LEU 62 - QG2 VAL 95 OK 15 100 - 14 - ~5959=2, 439/4.0=2...(7) HB3 GLU 65 - QG2 VAL 95 lone 9 99 - 9 - ~5999=2, 4.4/4393=2...(4) HB ILE 39 - QG2 VAL 95 lone 6 99 - 6 - 4.4/6929=2 HB2 LYS 61 - QG2 VAL 95 lone 4 78 - 5 - HB2 PRO 74 - QG2 VAL 95 lone 4 81 - 5 - 3.0/6884=2 HG2 GLU 87 - QG2 VAL 95 lone 2 90 - 2 - Peak 6898 from cnoeabs.peaks (1.67, 1.10, 22.24 ppm; 4.06 A): 8 out of 18 assignments used, quality = 0.93: QB ALA 79 + QG2 VAL 95 OK 56 100 - 56 - 6475/2.1=20...(12) HD3 LYS 94 + QG2 VAL 95 OK 48 97 - 49 - 4.7/6858=12, 3.4/6897=10...(10) HD2 LYS 94 + QG2 VAL 95 OK 48 97 - 49 - 4.7/6858=12, 3.4/6897=10...(10) HG3 GLN 19 + QG2 VAL 95 OK 15 83 - 18 - 5.2/6929=12, ~4741=2, 3.5/6923=2 HG12 ILE 27 + QG2 VAL 95 OK 11 98 - 11 - 3.8/6884=2, ~4954=1...(4) HB ILE 40 + QG2 VAL 95 OK 11 92 - 12 - 3.9/6929=3, 2.1/6906=2 HG3 ARG 57 + QG2 VAL 95 OK 11 95 - 11 - 3.0/6885=3, 3.0/6885=3, ~6879=2 HG2 ARG 57 + QG2 VAL 95 OK 10 92 - 11 - 3.0/6885=3, 3.0/6885=3, ~6879=2 HG12 ILE 40 - QG2 VAL 95 poor 8 65 - 13 - 4.6/6929=2, 3.2/6906=1 HD3 LYS 63 - QG2 VAL 95 lone 6 93 - 7 - 444/4.0=1 HD2 LYS 61 - QG2 VAL 95 lone 5 93 - 6 - HD3 LYS 61 - QG2 VAL 95 lone 5 93 - 6 - HB3 LYS 61 - QG2 VAL 95 lone 5 98 - 5 - HD3 LYS 35 - QG2 VAL 95 lone 4 87 - 5 - 6.3/6926=2 HB2 MET 50 - QG2 VAL 95 lone 4 89 - 5 - HD2 LYS 44 - QG2 VAL 95 lone 4 93 - 4 - HD3 LYS 44 - QG2 VAL 95 lone 4 92 - 4 - HG12 ILE 39 - QG2 VAL 95 lone 3 71 - 4 - Peak 6899 from cnoeabs.peaks (1.52, 1.10, 22.24 ppm; 3.48 A): 4 out of 10 assignments used, quality = 0.94: HG13 ILE 93 + QG2 VAL 95 OK 70 100 - 70 - 2.1/6906=23, 1.8/6900=17...(18) HB3 LYS 94 + QG2 VAL 95 OK 51 87 - 59 - 4.6/3944=16, 3.0/6858=14...(13) HG2 LYS 94 + QG2 VAL 95 OK 46 95 - 48 - 4.9/3944=15, 4.0/6858=11...(10) HG LEU 53 + QG2 VAL 95 OK 23 83 - 27 - 2.1/6906=6, ~6028=5...(10) HB3 LEU 62 - QG2 VAL 95 OK 13 99 - 13 - 3.0/6897=2, 440/4.0=1 HG2 LYS 86 - QG2 VAL 95 OK 13 73 - 17 - 4.7/6657=6, 4.0/6882=3...(6) HD2 LYS 86 - QG2 VAL 95 OK 11 76 - 15 - 5.7/6657=5, 5.1/6882=2...(6) HB3 LYS 63 - QG2 VAL 95 lone 8 97 - 8 - 440/4.0=1, 4.7/6926=1 HG2 LYS 45 - QG2 VAL 95 lone 6 100 - 6 - 441/4.0=1, 7088=1 HG3 LYS 41 - QG2 VAL 95 lone 5 97 - 5 - 7088=1 Peak 6900 from cnoeabs.peaks (1.34, 1.10, 22.24 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.80: HG12 ILE 93 + QG2 VAL 95 OK 62 90 - 69 - 2.1/6906=26, ~6853=14...(14) HB VAL 68 + QG2 VAL 95 OK 38 97 - 40 - 6901/2.1=18...(5) HG12 ILE 37 + QG2 VAL 95 OK 12 87 - 13 - 3.2/6905=2, ~6894=2...(6) Peak 6901 from cnoeabs.peaks (1.33, 0.98, 24.04 ppm; 4.16 A): 0 out of 2 assignments used, low quality = 0.38: HB VAL 68 - QG1 VAL 95 OK 27 71 - 38 - 2.1/6125=12, 6900/2.1=11...(6) HB VAL 68 - QB ALA 66 OK 15 37 - 41 - ~6022=10, ~6156=10...(11) Peak 6902 from cnoeabs.peaks (1.23, 0.98, 24.04 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.82: HG13 ILE 16 + QG1 VAL 95 OK 75 99 - 76 - 2.1/4599=27, 3.0/4583=20...(13) HG13 ILE 16 + QB ALA 66 OK 30 59 - 51 - 4630/4.4=14, 2.1/4599=13...(14) HG3 LYS 86 - QG1 VAL 95 lone 5 76 - 6 - ~6899=1, 3593/6636=1 QG2 THR 59 - QG1 VAL 95 lone 3 100 - 3 - QG2 THR 59 - QB ALA 66 lone 1 62 - 2 - HG3 LYS 86 - QB ALA 66 lone 1 40 - 2 - Peak 6904 from cnoeabs.peaks (0.84, 1.95, 34.67 ppm; 4.13 A): 3 out of 9 assignments used, quality = 0.99: QG2 ILE 80 + HB VAL 95 OK 90 100 - 91 - 6517=25, 3.2/6513=18...(27) QG2 ILE 16 + HB VAL 95 OK 75 96 - 79 - ~4583=15, ~4599=13...(17) QG1 VAL 18 + HB VAL 95 OK 47 63 - 75 - ~6907=28, ~6912=19...(11) QG2 VAL 30 - HB VAL 95 OK 20 100 - 20 - ~4904=3, 6913/2.1=3...(9) QD2 LEU 62 - HB VAL 95 OK 17 100 - 17 - 6903/3.9=3, 5961/3.0=3...(7) QG1 VAL 30 - HB VAL 95 OK 17 100 - 17 - 4904/2.1=3, ~6905=2...(7) QG2 ILE 37 - HB VAL 95 OK 16 99 - 16 - ~6894=2, 6913/2.1=2...(8) QG2 VAL 25 - HB VAL 95 OK 12 73 - 16 - ~6906=5, 4904/2.1=5...(4) QG2 ILE 40 - HB VAL 95 lone 3 68 - 5 - Peak 6905 from cnoeabs.peaks (0.87, 1.10, 22.24 ppm; 3.04 A): 6 out of 9 assignments used, quality = 0.93: QG1 VAL 18 + QG2 VAL 95 OK 76 100 - 76 - 2.1/6907=29, 4715=25...(18) QG2 ILE 80 + QG2 VAL 95 OK 53 78 - 68 - 3.2/6908=11, 3.2/6500=9...(24) QG2 VAL 30 + QG2 VAL 95 OK 15 85 - 17 - ~4904=2, 4.2/6929=2...(5) QG2 ILE 37 + QG2 VAL 95 OK 12 89 - 13 - 3.2/6900=2, ~6894=1, ~4583=1 QG1 VAL 30 + QG2 VAL 95 OK 10 71 - 15 - 4.2/6929=2, 3.9/6923=1 QD1 ILE 51 + QG2 VAL 95 OK 10 99 - 10 - 6852/6906=2 QD2 LEU 62 - QG2 VAL 95 poor 6 63 - 10 - 2.1/6897=2, 3.1/6899=1, ~5959=1 QG2 THR 42 - QG2 VAL 95 lone 4 98 - 4 - QG2 ILE 39 - QG2 VAL 95 lone 4 83 - 4 - 3.8/6929=1 Peak 6906 from cnoeabs.peaks (0.79, 1.10, 22.24 ppm; 3.00 A): 3 out of 5 assignments used, quality = 0.79: QD1 ILE 93 + QG2 VAL 95 OK 69 100 - 69 - 6851=22, 6853/2.1=13...(22) QG1 VAL 25 + QG2 VAL 95 OK 20 100 - 20 - 4902/2.1=3, ~4904=2...(6) QD1 LEU 53 + QG2 VAL 95 OK 18 78 - 22 - 5826/2.1=4, ~6028=3...(7) QG2 VAL 25 - QG2 VAL 95 lone 6 65 - 8 - 4904/2.1=2, ~4902=2 QG2 ILE 40 - QG2 VAL 95 lone 4 71 - 6 - 4.0/6929=1 Peak 6907 from cnoeabs.peaks (0.68, 1.10, 22.24 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 18 + QG2 VAL 95 OK 76 99 - 77 - 4724=21, 2.1/4715=17...(18) Peak 6908 from cnoeabs.peaks (0.38, 1.10, 22.24 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.86: HG13 ILE 80 + QG2 VAL 95 OK 86 93 - 92 - 6945/4.2=25, 3.8/6500=21...(21) Peak 6909 from cnoeabs.peaks (0.26, 1.10, 22.24 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 16 + QG2 VAL 95 OK 83 100 - 83 - 4600=27, 4599/2.1=26...(24) QD1 LEU 21 + QG2 VAL 95 OK 42 76 - 55 - 2.1/6914=11, 4821/2.1=9...(19) Peak 6910 from cnoeabs.peaks (0.26, 0.98, 24.04 ppm; 2.85 A): 4 out of 4 assignments used, quality = 0.84: QD1 ILE 16 + QG1 VAL 95 OK 67 100 - 67 - 4599=26, 6909/2.1=12...(18) QD1 LEU 21 + QG1 VAL 95 OK 26 76 - 34 - 4821=7, 6909/2.1=6...(10) QD1 ILE 16 + QB ALA 66 OK 24 62 - 38 - 4599=13, 2.1/6902=5...(11) QD1 LEU 21 + QB ALA 66 OK 13 40 - 33 - 4821=12, 4792/2.1=7...(6) Peak 6911 from cnoeabs.peaks (-0.18, 0.98, 24.04 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.97: QD1 ILE 80 + QG1 VAL 95 OK 88 100 - 88 - 6505=26, 2.1/6503=17...(29) QD2 LEU 21 + QG1 VAL 95 OK 53 100 - 53 - 2.1/4821=11, 6914/2.1=10...(19) QD1 ILE 80 + QB ALA 66 OK 38 61 - 62 - 6505=16, 2.1/6503=10...(20) QD2 LEU 21 - QB ALA 66 OK 35 62 - 57 - 2.1/4821=18, ~4792=15...(14) Peak 6912 from cnoeabs.peaks (0.66, 0.98, 24.04 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.77: QG2 VAL 18 + QG1 VAL 95 OK 68 97 - 70 - 6907/2.1=22, 2.1/4714=12...(23) QG2 VAL 18 + QB ALA 66 OK 30 57 - 53 - 6033/2.9=13, 4706/4.4=10...(18) Peak 6913 from cnoeabs.peaks (0.83, 0.98, 24.04 ppm; 2.94 A): 4 out of 16 assignments used, quality = 0.92: QG2 ILE 80 + QG1 VAL 95 OK 66 97 - 68 - 3.2/6499=12, 3.0/6505=9...(21) QG2 ILE 16 + QG1 VAL 95 OK 61 100 - 62 - 2.1/4583=14, 3.1/4599=13...(16) QG2 ILE 16 + QB ALA 66 OK 21 62 - 34 - 3.1/4599=7, 2.1/4583=6...(12) QG2 ILE 80 + QB ALA 66 OK 19 57 - 34 - 3.0/6505=6, 3.2/6499=5...(9) QG1 VAL 30 - QG1 VAL 95 OK 19 99 - 19 - 4904=3, 5068/4688=1, ~6905=1 QG2 VAL 30 - QG1 VAL 95 OK 18 93 - 19 - 2.1/4904=3, 6904/2.1=1...(4) QG2 VAL 25 - QG1 VAL 95 OK 15 92 - 16 - 4904=5, ~6906=2...(4) QG2 ILE 37 - QG1 VAL 95 OK 13 90 - 15 - 2.1/6894=2, 6490/6475=1 QD2 LEU 62 - QG1 VAL 95 OK 13 100 - 13 - 6903/4.0=1, 5961/3.2=1 QG1 VAL 30 - QB ALA 66 OK 11 59 - 18 - 4904=4, 5109/4821=2...(4) QG2 VAL 30 - QB ALA 66 OK 10 53 - 20 - 2.1/4904=3, 5052/6028=2...(5) QG2 VAL 25 - QB ALA 66 poor 6 52 - 12 - 4904=4, 4913/4821=2, 5112/6028=2 QG2 ILE 40 - QG1 VAL 95 lone 6 89 - 7 - QD2 LEU 62 - QB ALA 66 lone 6 61 - 9 - 7100/5826=1, 5966/5816=1 QG2 ILE 37 - QB ALA 66 lone 4 51 - 8 - QG2 ILE 40 - QB ALA 66 lone 3 49 - 5 - Peak 6914 from cnoeabs.peaks (-0.19, 1.10, 22.24 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 80 + QG2 VAL 95 OK 88 92 - 96 - 2.1/6908=40, 6505/2.1=23...(41) QD2 LEU 21 + QG2 VAL 95 OK 83 99 - 84 - 2.1/6909=16, ~4821=12...(33) Peak 6915 from cnoeabs.peaks (6.21, 1.10, 22.24 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.80: QE TYR 33 + QG2 VAL 95 OK 56 99 - 56 - 5160=19, 5161/6906=9...(15) QD PHE 88 + QG2 VAL 95 OK 55 100 - 55 - 2.5/6887=10, 6813/6906=8...(18) Peak 6916 from cnoeabs.peaks (6.89, 1.10, 22.24 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.85: HZ PHE 34 + QG2 VAL 95 OK 63 100 - 64 - 4826=14, 2.2/4687=10...(23) QE PHE 34 + QG2 VAL 95 OK 59 95 - 62 - 4688/2.1=12, 2.2/4826=12...(22) Peak 6917 from cnoeabs.peaks (7.57, 1.10, 22.24 ppm; 4.26 A): 2 out of 3 assignments used, quality = 0.97: H ILE 80 + QG2 VAL 95 OK 84 100 - 84 - 6496/2.1=28, 3.0/6500=20...(19) QD PHE 83 + QG2 VAL 95 OK 80 96 - 84 - 2.4/6884=31, 2.4/6604=25...(22) HE21 GLN 48 - QG2 VAL 95 OK 16 96 - 17 - 6920/2.1=5, ~6919=3...(5) Peak 6918 from cnoeabs.peaks (6.88, 0.98, 24.04 ppm; 3.96 A): 2 out of 4 assignments used, quality = 0.92: QE PHE 34 + QG1 VAL 95 OK 73 100 - 73 - 4688=21, 6916/2.1=19...(19) HZ PHE 34 + QG1 VAL 95 OK 71 99 - 72 - 6916/2.1=20, 2.2/4688=16...(18) QE PHE 34 - QB ALA 66 OK 23 62 - 37 - 4688=12, 2.2/4827=7...(10) HZ PHE 34 - QB ALA 66 OK 19 59 - 33 - 2.2/4688=9, 4827=7...(8) Peak 6919 from cnoeabs.peaks (7.00, 0.98, 24.04 ppm; 5.03 A): 9 out of 16 assignments used, quality = 0.92: QE PHE 83 + QG1 VAL 95 OK 54 93 - 58 - 4.4/6613=18, 4.4/6615=18...(10) HE22 GLN 48 + QG1 VAL 95 OK 30 85 - 35 - 4.6/5612=19, 1.7/6920=9...(4) QE PHE 17 + QG1 VAL 95 OK 28 90 - 31 - 6.5/6930=12, 5.6/4668=8...(7) HZ PHE 88 + QG1 VAL 95 OK 24 87 - 27 - 4854/2.1=10, 4853/6505=3...(6) QE PHE 17 + QB ALA 66 OK 19 51 - 37 - 5.6/4668=10, ~6050=8...(8) HD21 ASN 52 + QB ALA 66 OK 15 56 - 26 - 5.5/5768=12, 3.5/5772=7...(4) HD21 ASN 13 + QG1 VAL 95 OK 13 81 - 16 - 4518/2.1=6, ~4520=5, 4510/6892=2 QE PHE 83 + QB ALA 66 OK 12 53 - 23 - 4.4/6615=5, 4.4/6613=4...(6) HD21 ASN 52 + QG1 VAL 95 OK 10 96 - 10 - 5.5/5768=4, 3.5/5772=1 HE22 GLN 19 - QG1 VAL 95 lone 8 97 - 8 - ~6923=3, 1.7/6921=1 HE22 GLN 48 - QB ALA 66 poor 6 46 - 13 - 4.6/5612=7, 1.7/6920=2 HZ PHE 88 - QB ALA 66 poor 6 48 - 12 - 4853/6505=2, 4853/6911=1 HD21 ASN 24 - QG1 VAL 95 lone 5 100 - 4 - HE22 GLN 19 - QB ALA 66 lone 4 57 - 7 - 6050/2.9=2, 3.5/6895=1 HD21 ASN 24 - QB ALA 66 lone 2 62 - 4 - HD21 ASN 13 - QB ALA 66 lone 2 43 - 4 - Peak 6920 from cnoeabs.peaks (7.59, 0.98, 24.04 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.87: H ILE 80 + QG1 VAL 95 OK 78 89 - 88 - 6496=29, 3.0/6499=24...(21) H ILE 80 + QB ALA 66 OK 25 49 - 50 - 3.0/6499=10, 6496=10...(12) HE21 GLN 48 + QG1 VAL 95 OK 23 99 - 24 - 4.6/5612=13, 1.7/6919=3...(4) HE21 GLN 48 - QB ALA 66 lone 5 60 - 9 - 4.6/5612=5 Peak 6921 from cnoeabs.peaks (7.97, 0.98, 24.04 ppm; 4.72 A): 2 out of 14 assignments used, quality = 0.94: H ASP 84 + QG1 VAL 95 OK 82 87 - 94 - 2.9/6636=27, ~6635=21...(21) H ASP 81 + QG1 VAL 95 OK 68 95 - 72 - 3.6/6499=25, 4.6/6496=19...(15) H VAL 30 - QG1 VAL 95 OK 31 100 - 30 - 3.9/4904=4, 5039=3...(13) H PHE 34 - QG1 VAL 95 OK 29 89 - 32 - 6.5/4688=8, 8.2/4827=5...(10) H ASP 81 - QB ALA 66 OK 20 54 - 36 - 3.6/6499=11, 4.5/6501=8...(8) H VAL 30 - QB ALA 66 OK 19 62 - 30 - 5039=6, 5038/6028=5...(8) H ASP 84 - QB ALA 66 OK 13 48 - 27 - 4.7/6608=5, 4.3/6615=5...(10) H GLY 22 - QG1 VAL 95 OK 12 65 - 18 - 60/2.1=7, 61/6911=2...(6) H PHE 34 - QB ALA 66 OK 10 49 - 21 - 6.5/4688=5, 8.2/4827=3...(5) HE21 GLN 19 - QG1 VAL 95 lone 8 83 - 10 - 6923/2.1=2, 1.7/6919=1 H LYS 63 - QG1 VAL 95 poor 8 65 - 11 - 287=2, 3.6/2850=1, 4.6/879=1 H GLY 22 - QB ALA 66 poor 4 34 - 11 - 62/4821=3, 61/6911=1 HE21 GLN 19 - QB ALA 66 lone 3 45 - 8 - ~6050=3, 3.5/6895=1 H LYS 63 - QB ALA 66 lone 3 34 - 8 - 5872/2.9=1, 5971/4706=1 Peak 6922 from cnoeabs.peaks (8.11, 0.98, 24.04 ppm; 5.09 A): 5 out of 10 assignments used, quality = 0.86: H ALA 79 + QG1 VAL 95 OK 53 96 - 55 - 2.9/6475=23, 4.6/6496=22...(9) H VAL 68 + QG1 VAL 95 OK 46 76 - 61 - 4.0/6901=22, 4.0/6125=11...(14) H VAL 68 + QB ALA 66 OK 27 40 - 67 - 311/4.4=29, 4.6/309=21...(13) H ALA 79 + QB ALA 66 OK 17 56 - 31 - 2.9/6475=12, 4.6/6496=8...(7) H GLU 23 + QG1 VAL 95 OK 12 99 - 12 - 3.0/4862=2, 4.5/4868=1 H ILE 39 - QG1 VAL 95 lone 8 99 - 8 - 4648/4599=1, 362/6496=1 H ASN 13 - QG1 VAL 95 lone 7 90 - 7 - 5.7/6919=1 H ILE 39 - QB ALA 66 lone 4 60 - 6 - H GLU 23 - QB ALA 66 lone 4 61 - 6 - H ASN 13 - QB ALA 66 lone 3 51 - 6 - 4278/4.4=2 Peak 6923 from cnoeabs.peaks (7.95, 1.10, 22.24 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.97: H ASP 84 + QG2 VAL 95 OK 94 100 - 94 - 2.9/6635=28, 6632=25...(20) H ASP 81 + QG2 VAL 95 OK 57 100 - 58 - 3.6/6500=17, 4.6/6917=10...(15) H VAL 30 - QG2 VAL 95 OK 17 83 - 20 - 4.6/6929=3, 5039/2.1=3...(5) HE21 GLN 19 - QG2 VAL 95 OK 14 100 - 14 - 6.6/6929=8, 3.5/6898=2 HD21 ASN 14 - QG2 VAL 95 OK 13 78 - 16 - 3.5/6884=6, ~4530=3...(5) Peak 6926 from cnoeabs.peaks (8.33, 1.10, 22.24 ppm; 4.84 A): 4 out of 5 assignments used, quality = 0.86: H LYS 94 + QG2 VAL 95 OK 76 83 - 92 - 4.5/3944=32, 3.0/6858=25...(22) H LYS 35 + QG2 VAL 95 OK 24 97 - 25 - 4.2/6886=8, 4.2/6883=6...(4) H GLY 64 + QG2 VAL 95 OK 13 100 - 13 - 4881/6906=2, 3.0/6656=1 H ASP 32 + QG2 VAL 95 OK 12 78 - 15 - 4.6/6929=4, ~5095=2...(4) H LYS 45 - QG2 VAL 95 lone 5 78 - 6 - 5547/6928=1, 4.9/7088=1 Peak 6927 from cnoeabs.peaks (8.46, 1.10, 22.24 ppm; 4.22 A): 3 out of 10 assignments used, quality = 0.93: H PHE 83 + QG2 VAL 95 OK 68 92 - 74 - 6603=23, 4.0/6884=22...(16) H ILE 93 + QG2 VAL 95 OK 61 99 - 61 - 5.0/6906=14, 4.0/6845=12...(10) H LEU 21 + QG2 VAL 95 OK 46 100 - 46 - 2.9/1442=9, 652=9...(13) H ALA 98 - QG2 VAL 95 OK 27 97 - 28 - 4.4/6887=6, 4.4/6885=6...(7) H ASP 71 - QG2 VAL 95 OK 11 95 - 12 - 4.3/6236=4, 4.3/6883=3 H THR 15 - QG2 VAL 95 OK 10 99 - 10 - 4.6/6884=4, 4639/6881=1 H THR 42 - QG2 VAL 95 lone 8 99 - 7 - H ASP 72 - QG2 VAL 95 lone 6 93 - 7 - H GLY 60 - QG2 VAL 95 lone 1 57 - 2 - H GLY 90 - QG2 VAL 95 lone 1 60 - 2 - Peak 6928 from cnoeabs.peaks (8.62, 1.10, 22.24 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.85: H GLY 85 + QG2 VAL 95 OK 82 100 - 82 - 6649=30, 6640/4.0=24...(13) H GLY 47 + QG2 VAL 95 OK 15 87 - 17 - 6925/4.0=5, 5579/2.1=3...(4) Peak 6929 from cnoeabs.peaks (8.73, 1.10, 22.24 ppm; 4.49 A): 3 out of 3 assignments used, quality = 0.90: H GLN 19 + QG2 VAL 95 OK 86 100 - 86 - 4.1/6907=34, 4730=27...(20) H ALA 31 + QG2 VAL 95 OK 18 73 - 24 - 6936/4.2=3, 4.2/6905=3...(9) H ILE 40 + QG2 VAL 95 OK 14 89 - 15 - 6936/4.2=2, 4061/4715=1...(5) Peak 6930 from cnoeabs.peaks (9.54, 0.98, 24.04 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.91: H PHE 17 + QG1 VAL 95 OK 85 100 - 85 - 6931/4.2=31, 4671=28...(15) H PHE 17 + QB ALA 66 OK 43 61 - 71 - 4671=18, ~6051=14...(18) Peak 6932 from cnoeabs.peaks (9.54, 4.11, 66.07 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.62: H PHE 17 + HB2 SER 96 OK 62 100 - 62 - 6931/4.1=38, 4.5/6934=14...(7) Peak 6934 from cnoeabs.peaks (7.13, 4.11, 66.07 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.50: QD PHE 17 + HB2 SER 96 OK 34 78 - 43 - 4.5/6932=26, 4648/4.1=8...(4) HZ PHE 97 + HB2 SER 96 OK 24 81 - 30 - 5.8/6939=14, 8.2/4396=11...(4) H GLU 65 - HB2 SER 96 lone 5 92 - 6 - 4.6/3958=3 HH2 TRP 82 - HB2 SER 96 lone 2 100 - 2 - Peak 6939 from cnoeabs.peaks (2.89, 4.11, 66.07 ppm; 5.01 A): 2 out of 5 assignments used, quality = 0.71: HB3 PHE 97 + HB2 SER 96 OK 66 98 - 67 - 4.0/4396=35, 6959=20...(7) HB3 PHE 88 + HB2 SER 96 OK 16 81 - 20 - 6940/1.8=7, ~4742=4...(5) HB2 ASN 91 - HB2 SER 96 lone 7 87 - 7 - 3.5/6768=2, 3.5/6774=2 HB3 ASN 91 - HB2 SER 96 lone 6 85 - 7 - 3.5/6768=2, 3.5/6774=2 HB2 ASN 24 - HB2 SER 96 lone 3 87 - 3 - Peak 6940 from cnoeabs.peaks (2.87, 3.97, 66.07 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.67: HB3 PHE 97 + HB3 SER 96 OK 59 98 - 60 - 4.0/455=39, 6939/1.8=22...(5) HB3 PHE 88 + HB3 SER 96 OK 20 100 - 20 - 6939/1.8=5, 2.5/4742=5...(5) Peak 6949 from cnoeabs.peaks (0.84, 4.11, 66.07 ppm; 5.12 A): 2 out of 9 assignments used, quality = 0.92: QG2 ILE 80 + HB2 SER 96 OK 86 100 - 86 - 7126/3.0=25, 3.0/6950=23...(14) QG2 ILE 16 + HB2 SER 96 OK 44 96 - 46 - 4.4/6932=27, 5320/4.1=8...(7) QD2 LEU 62 - HB2 SER 96 OK 22 100 - 21 - 3.1/5949=3, 3.1/5952=3...(8) QG2 VAL 30 - HB2 SER 96 OK 21 100 - 21 - 6951/1.8=4, 5108/6950=3...(7) QG1 VAL 30 - HB2 SER 96 OK 19 100 - 19 - 6951/1.8=3, ~6951=3...(7) QG1 VAL 18 - HB2 SER 96 OK 15 63 - 24 - 3.9/3958=8, 6943/4.1=8...(6) QG2 ILE 37 - HB2 SER 96 OK 14 99 - 14 - 6951/1.8=3, 6966/4.5=3...(6) QG2 ILE 40 - HB2 SER 96 poor 9 68 - 13 - 5385/4.5=4, 5414=1 QG2 VAL 25 - HB2 SER 96 lone 5 73 - 6 - 4914/6950=2 Peak 6950 from cnoeabs.peaks (-0.18, 4.11, 66.07 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 80 + HB2 SER 96 OK 88 100 - 88 - 6530/3.0=24, 6529=24...(15) QD2 LEU 21 + HB2 SER 96 OK 51 100 - 51 - 6955/3.0=13, 6953/1.8=12...(8) Peak 6951 from cnoeabs.peaks (0.85, 3.97, 66.07 ppm; 5.05 A): 3 out of 9 assignments used, quality = 0.92: QG2 ILE 80 + HB3 SER 96 OK 87 99 - 88 - 3.2/6952=28, 7126/3.0=24...(14) QG2 VAL 30 + HB3 SER 96 OK 23 100 - 23 - 6949/1.8=3, 6943/4.1=3...(9) QG1 VAL 30 + HB3 SER 96 OK 21 97 - 21 - 6949/1.8=3, ~6949=3...(9) QG2 ILE 16 - HB3 SER 96 OK 20 78 - 26 - 6949/1.8=7, 6966/4.5=6...(6) QG1 VAL 18 - HB3 SER 96 OK 17 87 - 20 - 1382/4.1=8, 3.9/3962=3...(6) QD2 LEU 62 - HB3 SER 96 OK 17 93 - 17 - 6949/1.8=4, ~5954=2...(7) QG2 ILE 37 - HB3 SER 96 OK 15 100 - 15 - 3.3/6952=3, 1934/6952=3...(6) QD1 ILE 51 - HB3 SER 96 OK 15 83 - 18 - 5709/4.5=5, 5724=4...(6) QG2 THR 42 - HB3 SER 96 OK 13 76 - 16 - 5509/4.5=7, 7189/3.0=4...(5) Peak 6952 from cnoeabs.peaks (0.35, 3.97, 66.07 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.90: HG13 ILE 80 + HB3 SER 96 OK 90 98 - 91 - 2.1/6953=27, 6945/4.1=25...(12) QD1 ILE 37 - HB3 SER 96 lone 9 99 - 9 - 3.3/6951=2, 6945/4.1=2...(4) Peak 6953 from cnoeabs.peaks (-0.17, 3.97, 66.07 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 80 + HB3 SER 96 OK 86 98 - 87 - 2.1/6952=31, 6955/3.0=29...(12) QD2 LEU 21 + HB3 SER 96 OK 48 89 - 53 - 6955/3.0=15, 6950/1.8=13...(9) Peak 6954 from cnoeabs.peaks (1.11, 4.70, 56.52 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.77: QG2 VAL 95 + HA SER 96 OK 56 95 - 60 - 450/3.0=21, ~451=19...(8) HG LEU 21 + HA SER 96 OK 48 98 - 49 - 2.1/6955=15, 450/3.0=10...(8) QG2 THR 46 - HA SER 96 lone 1 87 - 1 - Peak 6955 from cnoeabs.peaks (-0.17, 4.70, 56.52 ppm; 3.49 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 80 + HA SER 96 OK 74 98 - 76 - 6530=25, 6968/3.6=16...(14) QD2 LEU 21 + HA SER 96 OK 38 89 - 43 - 2.1/6954=10, 6968/3.6=7...(10) Peak 6958 from cnoeabs.peaks (4.13, 3.19, 39.41 ppm; 5.35 A): 5 out of 9 assignments used, quality = 0.90: HB2 SER 96 + HB2 PHE 97 OK 56 83 - 67 - 4.5/1051=34, ~6940=24...(7) HA THR 99 + HB2 PHE 97 OK 49 97 - 51 - ~7023=14, 7131/4512=12...(7) HA3 GLY 22 + HB2 PHE 97 OK 28 83 - 34 - 4845/2.4=6, ~4843=6...(8) HB THR 15 + HB2 PHE 97 OK 21 100 - 21 - 1274/4.4=11, 6959/1.8=3...(6) HA GLN 36 + HB2 PHE 97 OK 20 100 - 19 - 5255/2.4=8, ~5256=4...(5) HA VAL 25 - HB2 PHE 97 poor 8 81 - 10 - ~4764=3, 6998/4.4=2, ~6971=1 HA ALA 78 - HB2 PHE 97 poor 6 63 - 10 - 6998/4.4=3, 4514/4510=1...(5) HB THR 67 - HB2 PHE 97 lone 6 65 - 9 - ~6080=3, 454/4.0=2, 6959/1.8=2 HA GLU 23 - HB2 PHE 97 lone 5 93 - 5 - 5255/2.4=1 Peak 6959 from cnoeabs.peaks (4.11, 2.88, 39.41 ppm; 5.01 A): 6 out of 9 assignments used, quality = 0.91: HB2 SER 96 + HB3 PHE 97 OK 74 100 - 74 - 4396/4.0=35, 6939=33...(7) HA3 GLY 22 + HB3 PHE 97 OK 32 100 - 32 - 4845/2.4=7, ~4843=5...(9) HA THR 99 + HB3 PHE 97 OK 23 60 - 39 - ~7023=12, 3.2/6962=10...(7) HB THR 15 + HB3 PHE 97 OK 16 81 - 20 - 1274/4.4=8, 4568/6961=4...(5) HA GLN 36 + HB3 PHE 97 OK 13 85 - 15 - 5255/2.4=6, ~5256=3...(4) HB THR 67 + HB3 PHE 97 OK 11 99 - 12 - 6093/6961=3, ~6080=3, 454/4.0=2 HA GLU 23 - HB3 PHE 97 lone 5 100 - 5 - HA ILE 39 - HB3 PHE 97 lone 4 81 - 5 - ~157=2, 3.8/6961=1 HA3 GLY 38 - HB3 PHE 97 lone 2 63 - 3 - Peak 6960 from cnoeabs.peaks (1.09, 3.19, 39.41 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.91: HG LEU 21 + HB2 PHE 97 OK 64 93 - 69 - 6962/1.8=17, 2.1/6969=17...(11) QG2 VAL 95 + HB2 PHE 97 OK 53 97 - 54 - 6885=12, 6887/1.8=12...(14) QG2 THR 99 + HB2 PHE 97 OK 48 99 - 49 - 7023/2.4=21, 6962/1.8=11...(7) Peak 6961 from cnoeabs.peaks (1.28, 2.88, 39.41 ppm; 5.19 A): 2 out of 6 assignments used, quality = 0.93: QB ALA 98 + HB3 PHE 97 OK 89 97 - 92 - 2.9/459=35, 7000/3.0=32...(12) HG12 ILE 16 + HB3 PHE 97 OK 35 96 - 37 - ~7058=12, ~4764=10...(7) HG13 ILE 39 - HB3 PHE 97 lone 5 99 - 5 - 1059/4.4=1 QG2 THR 26 - HB3 PHE 97 lone 4 96 - 4 - HG3 LYS 35 - HB3 PHE 97 lone 4 97 - 4 - HG3 LYS 86 - HB3 PHE 97 lone 2 63 - 3 - Peak 6962 from cnoeabs.peaks (1.10, 2.88, 39.41 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.88: HG LEU 21 + HB3 PHE 97 OK 64 100 - 64 - 2.1/4803=17, 6960/1.8=14...(12) QG2 VAL 95 + HB3 PHE 97 OK 44 100 - 44 - 6885/1.8=12, 6887=11...(12) QG2 THR 99 + HB3 PHE 97 OK 43 89 - 49 - 7023/2.4=17, 4.9/6961=13...(7) Peak 6963 from cnoeabs.peaks (2.72, 7.34, 131.60 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.64: HB3 ASN 13 + QD PHE 97 OK 54 96 - 57 - 4506=25, 3.5/4507=24...(5) HB3 PHE 17 + QD PHE 97 OK 13 92 - 14 - 7009/4.9=10, 4677/6989=3 HB3 ASP 72 + QD PHE 97 OK 10 98 - 11 - 3130/4.9=6, 4.1/4403=1 HB2 ASP 81 - QD PHE 97 lone 10 98 - 10 - ~4496=3, 4329/4.9=3, 4.4/4403=1 HB3 ASN 24 - QD PHE 97 lone 6 98 - 6 - 4506=3 Peak 6964 from cnoeabs.peaks (1.60, 7.34, 131.60 ppm; 4.03 A): 4 out of 6 assignments used, quality = 0.87: HG3 LYS 77 + QD PHE 97 OK 49 59 - 83 - 2.9/6404=16, 3.8/4759=13...(26) HG2 LYS 77 + QD PHE 97 OK 47 56 - 83 - 2.9/6404=16, 3.8/4759=13...(26) QB ALA 76 + QD PHE 97 OK 44 98 - 45 - 6395=25, 4.8/4759=10...(9) HD2 LYS 63 + QD PHE 97 OK 17 98 - 17 - 7216/2.2=5, 7216/3.8=3...(6) HD2 LYS 41 - QD PHE 97 lone 1 56 - 2 - HD3 LYS 41 - QD PHE 97 lone 1 56 - 2 - Peak 6969 from cnoeabs.peaks (-0.18, 3.19, 39.41 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 80 + HB2 PHE 97 OK 91 100 - 91 - 6537/2.4=32, 6531/3.0=29...(15) QD2 LEU 21 + HB2 PHE 97 OK 70 100 - 70 - 4803/1.8=19, 4765/2.4=17...(12) Peak 6970 from cnoeabs.peaks (-0.18, 2.88, 39.41 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 80 + HB3 PHE 97 OK 92 100 - 92 - 6537/2.4=32, 6531/3.0=30...(16) QD2 LEU 21 + HB3 PHE 97 OK 79 99 - 80 - 4803=19, 6969/1.8=18...(17) Peak 6971 from cnoeabs.peaks (0.84, 7.34, 131.60 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.96: QG2 ILE 80 + QD PHE 97 OK 83 97 - 86 - 3.0/6537=28, 6519/2.4=22...(21) QG2 ILE 16 + QD PHE 97 OK 59 96 - 62 - 3.2/4618=20, 7058/3.7=17...(13) QG2 ILE 37 + QD PHE 97 OK 37 93 - 39 - 4144=6, 2.1/4143=5...(13) QG2 VAL 30 - QD PHE 97 OK 24 95 - 26 - 5065=4, 5108/4765=4...(7) QG1 VAL 30 - QD PHE 97 OK 23 98 - 23 - 2.1/5065=4, 5111/4765=3...(8) QG2 ILE 40 - QD PHE 97 OK 18 74 - 24 - 5385/4.5=4, 3.2/4759=4...(9) QG2 VAL 25 - QD PHE 97 OK 13 79 - 17 - 4914/4765=3, 4798/2.2=2...(8) QD2 LEU 62 - QD PHE 97 lone 8 98 - 8 - 6966/4.5=1 Peak 6972 from cnoeabs.peaks (-0.17, 7.34, 131.60 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 80 + QD PHE 97 OK 87 98 - 89 - 6537=33, 6531/3.7=21...(23) QD2 LEU 21 + QD PHE 97 OK 60 92 - 65 - 4803/2.4=14, 6969/2.4=12...(18) Peak 6974 from cnoeabs.peaks (3.79, 7.16, 129.36 ppm; 4.28 A): 2 out of 14 assignments used, quality = 0.96: HA LYS 77 + QE PHE 97 OK 84 96 - 87 - 4759/2.2=20, 3.0/4761=20...(19) HA LYS 77 + HZ PHE 97 OK 76 90 - 84 - 7211=20, 3.0/4757=18...(18) HA ILE 40 - QE PHE 97 OK 15 96 - 15 - 4759/2.2=4, ~4764=3...(6) HA2 GLY 22 - QE PHE 97 OK 13 88 - 15 - 4759/2.2=5, ~4845=4, ~4841=4 HA ILE 40 - HZ PHE 97 poor 9 90 - 10 - 4759/3.8=3, 3.2/4798=2, ~4798=1 HA SER 89 - QE PHE 97 lone 7 89 - 8 - 6979/2.2=2, ~6730=2, ~6735=2 HA2 GLY 22 - HZ PHE 97 lone 5 81 - 6 - 4759/3.8=4 HA SER 89 - HZ PHE 97 lone 3 83 - 3 - 6979/3.8=2 HD2 PRO 92 - QE PHE 97 lone 2 95 - 2 - HD2 PRO 92 - HZ PHE 97 lone 2 89 - 2 - HB3 SER 11 - QE PHE 97 lone 2 96 - 2 - HB3 SER 11 - HZ PHE 97 lone 1 90 - 1 - HA2 GLY 60 - QE PHE 97 lone 1 71 - 1 - HA2 GLY 60 - HZ PHE 97 lone 1 65 - 1 - Peak 6975 from cnoeabs.peaks (2.12, 7.16, 129.36 ppm; 4.15 A): 2 out of 12 assignments used, quality = 0.95: HB3 LYS 77 + QE PHE 97 OK 83 90 - 92 - 6412=20, 6404/2.2=19...(28) HB3 LYS 77 + HZ PHE 97 OK 71 84 - 85 - 6412=18, 6412/2.2=16...(22) HG3 GLU 65 - QE PHE 97 OK 11 78 - 14 - 3006/2.2=2, ~3000=2...(7) HG3 GLU 65 - HZ PHE 97 OK 10 71 - 14 - 3006=2, 1.8/3000=2...(6) HB2 GLN 19 - QE PHE 97 lone 6 95 - 6 - ~4636=1 HB2 GLN 36 - QE PHE 97 lone 4 94 - 4 - ~5255=3 HB2 GLN 19 - HZ PHE 97 lone 4 89 - 4 - HG2 PRO 74 - QE PHE 97 lone 2 89 - 2 - HG2 PRO 74 - HZ PHE 97 lone 2 83 - 2 - HB2 GLN 36 - HZ PHE 97 lone 1 88 - 1 - HB2 GLU 58 - QE PHE 97 lone 1 87 - 1 - HB2 GLU 58 - HZ PHE 97 lone 1 80 - 1 - Peak 6976 from cnoeabs.peaks (1.98, 7.16, 129.36 ppm; 4.75 A): 2 out of 16 assignments used, quality = 0.98: HB2 LYS 77 + QE PHE 97 OK 91 95 - 96 - 1.8/4761=27, ~4757=19...(28) HB2 LYS 77 + HZ PHE 97 OK 81 88 - 91 - 1.8/4757=23, ~4761=20...(20) HB VAL 25 - QE PHE 97 OK 15 92 - 17 - ~4764=4, 7124=2...(9) HG2 PRO 49 - QE PHE 97 OK 14 78 - 18 - 2.3/5630=6, 4202/6.5=4...(5) HB2 GLU 65 - QE PHE 97 OK 13 94 - 14 - 3.0/3006=2, ~3006=2...(6) HB2 GLU 65 - HZ PHE 97 OK 13 88 - 14 - 3.0/3006=3, 3.0/3000=2...(6) HG2 PRO 49 - HZ PHE 97 OK 11 71 - 15 - ~5630=4, 2.3/5630=4...(4) HB VAL 25 - HZ PHE 97 poor 9 86 - 11 - 2.1/4798=2, 7124/2.2=2...(4) HG2 GLN 19 - QE PHE 97 lone 6 92 - 7 - 4743/2.2=2, 3.0/6975=1 HG2 GLN 19 - HZ PHE 97 lone 5 86 - 6 - HG3 PRO 74 - QE PHE 97 lone 4 96 - 4 - HB3 GLU 28 - QE PHE 97 lone 3 95 - 3 - HG3 PRO 74 - HZ PHE 97 lone 3 90 - 3 - HB3 GLU 28 - HZ PHE 97 lone 3 88 - 3 - HB2 GLU 23 - QE PHE 97 lone 2 73 - 2 - HB2 GLU 23 - HZ PHE 97 lone 1 67 - 2 - Peak 6977 from cnoeabs.peaks (1.70, 7.16, 129.36 ppm; 4.70 A): 3 out of 34 assignments used, quality = 0.97: HD2 LYS 77 + QE PHE 97 OK 80 96 - 84 - 3.7/4761=20, 1.8/6409=17...(19) HD2 LYS 77 + HZ PHE 97 OK 66 90 - 74 - 3.7/4757=18, 1.8/6409=13...(14) HB ILE 80 + QE PHE 97 OK 55 83 - 66 - ~6537=16, 3.2/4768=14...(12) HB ILE 80 - HZ PHE 97 OK 30 77 - 40 - ~4768=9, 3.2/6980=9...(7) HD3 LYS 63 - QE PHE 97 OK 28 69 - 41 - 1.8/7216=7, 3.9/5974=5...(16) HD3 LYS 63 - HZ PHE 97 OK 23 63 - 36 - 1.8/7216=6, ~7216=5...(13) HB ILE 40 - QE PHE 97 OK 15 71 - 21 - ~4764=5, ~4759=3...(8) HB2 LEU 53 - QE PHE 97 lone 8 83 - 10 - 3.1/5785=4, ~5785=2, 4.4/845=1 HB ILE 40 - HZ PHE 97 poor 7 65 - 11 - 2.1/4798=2, ~4798=2...(5) HB2 LEU 53 - HZ PHE 97 lone 6 77 - 8 - ~5785=3, 3.1/5785=3 HD2 LYS 45 - QE PHE 97 lone 5 96 - 5 - HD3 LYS 45 - QE PHE 97 lone 5 96 - 5 - HD3 LYS 44 - QE PHE 97 lone 4 71 - 6 - HD2 LYS 44 - QE PHE 97 lone 4 69 - 6 - HD2 LYS 45 - HZ PHE 97 lone 4 90 - 5 - HD3 LYS 45 - HZ PHE 97 lone 4 90 - 5 - HD3 LYS 44 - HZ PHE 97 lone 3 65 - 5 - HD2 LYS 44 - HZ PHE 97 lone 3 63 - 5 - HD2 LYS 61 - QE PHE 97 lone 3 69 - 4 - HD3 LYS 61 - QE PHE 97 lone 3 69 - 4 - HD2 LYS 61 - HZ PHE 97 lone 2 63 - 3 - HD3 LYS 61 - HZ PHE 97 lone 2 63 - 3 - HD3 LYS 94 - QE PHE 97 lone 2 59 - 3 - HD2 LYS 94 - QE PHE 97 lone 2 59 - 3 - HD3 LYS 94 - HZ PHE 97 lone 2 53 - 3 - HD2 LYS 94 - HZ PHE 97 lone 2 53 - 3 - HG12 ILE 39 - QE PHE 97 lone 1 89 - 2 - HG12 ILE 39 - HZ PHE 97 lone 1 83 - 2 - HD3 LYS 35 - QE PHE 97 lone 1 78 - 2 - HG2 ARG 57 - QE PHE 97 lone 1 71 - 2 - HD3 LYS 35 - HZ PHE 97 lone 1 71 - 2 - HG3 ARG 57 - QE PHE 97 lone 1 66 - 2 - HG2 ARG 57 - HZ PHE 97 lone 1 65 - 2 - HG3 ARG 57 - HZ PHE 97 lone 1 60 - 2 - Peak 6978 from cnoeabs.peaks (1.58, 7.16, 129.36 ppm; 4.28 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 77 + QE PHE 97 OK 84 91 - 92 - 2.9/4761=20, 4760/2.2=15...(30) HG2 LYS 77 + QE PHE 97 OK 83 90 - 92 - 2.9/4761=20, 4760/2.2=15...(30) HG3 LYS 77 + HZ PHE 97 OK 73 85 - 86 - 2.9/4757=18, ~4761=12...(23) HG2 LYS 77 + HZ PHE 97 OK 72 84 - 86 - 2.9/4757=18, ~4761=12...(23) HD2 LYS 63 - QE PHE 97 OK 31 85 - 36 - 7216=6, 7216/2.2=4...(14) HD2 LYS 63 - HZ PHE 97 OK 27 78 - 35 - 7216/2.2=5, 7216=5...(15) QB ALA 76 - QE PHE 97 OK 21 73 - 28 - 6395/2.2=17, 4.8/7211=9 QB ALA 76 - HZ PHE 97 OK 16 67 - 24 - 6395/3.8=12, 4.8/7211=9 HB3 PRO 49 - QE PHE 97 OK 13 83 - 15 - 5630=4, 5630/2.2=3...(4) HB3 PRO 49 - HZ PHE 97 OK 11 77 - 15 - 5630/2.2=4, 5630=3...(5) HG3 LYS 44 - QE PHE 97 lone 3 64 - 5 - HG3 LYS 44 - HZ PHE 97 lone 2 58 - 4 - HB3 GLU 87 - QE PHE 97 lone 2 76 - 2 - HB3 GLU 87 - HZ PHE 97 lone 1 69 - 2 - Peak 6979 from cnoeabs.peaks (3.79, 7.34, 131.60 ppm; 5.17 A): 2 out of 7 assignments used, quality = 0.95: HA LYS 77 + QD PHE 97 OK 93 98 - 95 - 6403=28, 3.0/6404=24...(21) HA2 GLY 22 + QD PHE 97 OK 28 83 - 33 - 1.8/4845=7, 4843=7...(8) HA ILE 40 - QD PHE 97 OK 21 98 - 22 - 3.2/4764=7, 6974/2.2=3...(8) HA SER 89 - QD PHE 97 OK 13 96 - 13 - 3.0/6735=4, 3.0/6730=3...(4) HD2 PRO 92 - QD PHE 97 lone 4 98 - 4 - HB3 SER 11 - QD PHE 97 lone 3 97 - 3 - HA2 GLY 60 - QD PHE 97 lone 2 62 - 2 - Peak 6980 from cnoeabs.peaks (-0.17, 7.16, 129.36 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.96: QD1 ILE 80 + QE PHE 97 OK 79 95 - 83 - 6537/2.2=32, 6538=16...(20) QD1 ILE 80 + HZ PHE 97 OK 65 89 - 73 - 6537/3.8=24, 6538/2.2=15...(18) QD2 LEU 21 + QE PHE 97 OK 45 89 - 51 - 6972/2.2=17, 4803/4.4=11...(9) QD2 LEU 21 - HZ PHE 97 OK 35 83 - 42 - 6972/3.8=12, 6970/5.8=8...(8) Peak 6981 from cnoeabs.peaks (7.03, 3.19, 39.41 ppm; 4.44 A): 2 out of 7 assignments used, quality = 0.86: HD21 ASN 13 + HB2 PHE 97 OK 84 99 - 86 - 4510=40, 1.7/4512=35...(8) QE PHE 17 + HB2 PHE 97 OK 11 96 - 12 - 6994/4.4=6, 6982/1.8=3, ~6982=2 HZ PHE 17 - HB2 PHE 97 lone 9 99 - 9 - 6994/4.4=3, ~6982=2, 6982/1.8=2 HE22 GLN 19 - HB2 PHE 97 lone 9 89 - 9 - 548/3.0=3, 6982/1.8=3, ~540=2 HZ3 TRP 82 - HB2 PHE 97 lone 8 97 - 8 - 4598/2.4=3, 6994/4.4=3 HD22 ASN 91 - HB2 PHE 97 lone 6 99 - 6 - 6982/1.8=2, 6994/4.4=1 QD PHE 70 - HB2 PHE 97 lone 2 71 - 3 - Peak 6982 from cnoeabs.peaks (7.02, 2.88, 39.41 ppm; 5.05 A): 4 out of 7 assignments used, quality = 0.93: HD21 ASN 13 + HB3 PHE 97 OK 90 100 - 90 - 4510/1.8=39, 4509=34...(8) QE PHE 17 + HB3 PHE 97 OK 16 100 - 17 - 6994/4.4=7, 6981/1.8=4...(4) HE22 GLN 19 + HB3 PHE 97 OK 13 99 - 12 - 548/3.0=4, 6981/1.8=3...(4) HZ PHE 17 + HB3 PHE 97 OK 11 89 - 13 - 6994/4.4=4, 6981/1.8=3...(4) HZ3 TRP 82 - HB3 PHE 97 poor 9 83 - 11 - 6994/4.4=3, 6981/1.8=3 HD22 ASN 91 - HB3 PHE 97 lone 8 92 - 9 - 6981/1.8=2, 6994/4.4=2 HD21 ASN 24 - HB3 PHE 97 lone 5 78 - 6 - ~6963=1, ~4506=1, ~4763=1 Peak 6984 from cnoeabs.peaks (9.55, 4.37, 51.99 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.88: H PHE 17 + HA ALA 98 OK 88 93 - 95 - 6987/2.1=44, 6983/3.0=43...(10) Peak 6985 from cnoeabs.peaks (8.81, 1.27, 19.20 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.94: H ILE 16 + QB ALA 98 OK 92 99 - 93 - 3.0/7001=34, 4.6/6987=28...(16) H GLU 28 + QB ALA 98 OK 27 99 - 28 - 4987=6, 3.7/4996=3...(9) H ASN 43 - QB ALA 98 OK 18 100 - 17 - 6995/2.9=4, 6057/7015=2...(7) Peak 6986 from cnoeabs.peaks (8.93, 1.27, 19.20 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.95: H VAL 18 + QB ALA 98 OK 87 100 - 88 - 4710=29, 4.6/6987=28...(15) H SER 96 + QB ALA 98 OK 47 100 - 47 - 6931/6987=17...(12) H ALA 66 + QB ALA 98 OK 33 96 - 35 - 6051/7002=8, 3.6/7003=4...(12) H PHE 70 - QB ALA 98 OK 14 57 - 24 - 6218/7003=7, 4546/7014=4...(7) H ASP 56 - QB ALA 98 OK 13 97 - 13 - 5883/2.1=2, 6051/7002=1 Peak 6987 from cnoeabs.peaks (9.55, 1.27, 19.20 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.87: H PHE 17 + QB ALA 98 OK 87 93 - 94 - 6983/2.9=36, 6984/2.1=29...(16) Peak 6988 from cnoeabs.peaks (8.10, 1.27, 19.20 ppm; 4.99 A): 3 out of 5 assignments used, quality = 0.88: H VAL 68 + QB ALA 98 OK 76 96 - 79 - 3.6/7004=31, 4.1/7015=23...(11) H ASN 13 + QB ALA 98 OK 40 100 - 40 - 5.7/4517=17, 5.7/4519=13...(10) H ILE 39 + QB ALA 98 OK 19 87 - 21 - 4.6/6989=5, 3.6/5348=3...(7) H ALA 79 - QB ALA 98 poor 9 76 - 12 - 6457/2.9=3, ~6459=2...(5) H GLU 23 - QB ALA 98 lone 6 89 - 6 - 4851/4891=1 Peak 6989 from cnoeabs.peaks (7.31, 1.27, 19.20 ppm; 4.98 A): 4 out of 4 assignments used, quality = 0.85: QD PHE 97 + QB ALA 98 OK 69 81 - 85 - 3.7/7000=28, 4.9/1059=25...(12) H THR 26 + QB ALA 98 OK 29 97 - 29 - 3.6/4896=6, 678=6...(7) H GLY 38 + QB ALA 98 OK 24 71 - 33 - 463/2.9=7, 4.6/4405=6...(8) HZ2 TRP 82 + QB ALA 98 OK 12 65 - 17 - 2.5/6990=5, ~6992=3...(5) Peak 6990 from cnoeabs.peaks (7.12, 1.27, 19.20 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.95: QD PHE 17 + QB ALA 98 OK 94 99 - 95 - 6992/2.1=30, 2.4/4677=29...(17) HH2 TRP 82 + QB ALA 98 OK 14 85 - 16 - 6992/2.1=4, 2.5/6989=3...(5) H GLU 65 - QB ALA 98 poor 8 60 - 13 - 3.0/7003=4, 4.6/6986=4, ~6014=3 Peak 6991 from cnoeabs.peaks (7.03, 1.27, 19.20 ppm; 4.50 A): 3 out of 7 assignments used, quality = 0.97: HD21 ASN 13 + QB ALA 98 OK 75 99 - 76 - 4517=38, 1.7/4519=22...(10) QE PHE 17 + QB ALA 98 OK 74 97 - 77 - 2.2/6990=28, ~6992=19...(11) HZ PHE 17 + QB ALA 98 OK 55 98 - 57 - 3.8/6990=21, 5.8/4677=13...(8) HZ3 TRP 82 - QB ALA 98 OK 18 96 - 18 - 2.4/6990=4, 6994/2.9=3...(7) HD22 ASN 91 - QB ALA 98 lone 8 99 - 8 - 6994/2.9=2, ~463=1 HE22 GLN 19 - QB ALA 98 lone 8 90 - 8 - 5.6/7000=2, 6994/2.9=1 QD PHE 70 - QB ALA 98 lone 6 68 - 9 - 4544/7003=3, 4.6/6986=1 Peak 6992 from cnoeabs.peaks (7.11, 4.37, 51.99 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.94: QD PHE 17 + HA ALA 98 OK 93 100 - 93 - 6990/2.1=33, 2.4/7005=29...(13) HH2 TRP 82 + HA ALA 98 OK 13 76 - 17 - 6990/2.1=5, ~463=3...(6) Peak 6997 from cnoeabs.peaks (4.14, 4.37, 51.99 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.94: HA THR 99 + HA ALA 98 OK 83 100 - 83 - 3.0/465=42, 7030/2.1=30...(7) HB THR 15 + HA ALA 98 OK 66 97 - 68 - 4568/2.1=23, ~7014=19...(7) HA GLN 36 - HA ALA 98 OK 16 96 - 16 - 5247/2.1=6, 3.5/4404=5...(4) HA VAL 25 - HA ALA 98 OK 14 98 - 14 - 4896/2.1=7, ~4891=3, 6998/3.0=3 HA ALA 78 - HA ALA 98 lone 8 90 - 9 - 6998/3.0=4, ~6433=2, 6999/2.1=1 HA GLU 23 - HA ALA 98 lone 2 68 - 3 - HA3 GLY 90 - HA ALA 98 lone 2 83 - 2 - Peak 6999 from cnoeabs.peaks (4.13, 1.27, 19.20 ppm; 3.33 A): 4 out of 9 assignments used, quality = 0.91: HA THR 99 + QB ALA 98 OK 68 99 - 69 - 3.0/466=24, 7030=16...(11) HB THR 15 + QB ALA 98 OK 62 100 - 62 - 4568=24, 2.1/7014=21...(8) HA GLN 36 + QB ALA 98 OK 14 100 - 14 - 3.5/4405=4, 2.9/137=3...(6) HA VAL 25 + QB ALA 98 OK 13 87 - 15 - 4896=4, 3.6/6989=3...(5) HB2 SER 96 - QB ALA 98 poor 8 76 - 10 - 6932/6987=3, 4.1/6986=3...(4) HA ALA 78 - QB ALA 98 lone 5 71 - 6 - 6998/2.9=2 HA3 GLY 22 - QB ALA 98 lone 2 76 - 3 - HA GLU 23 - QB ALA 98 lone 2 89 - 3 - HA3 GLY 90 - QB ALA 98 lone 1 60 - 1 - Peak 7000 from cnoeabs.peaks (4.75, 1.27, 19.20 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.71: HA PHE 97 + QB ALA 98 OK 71 92 - 77 - 457/2.9=34, ~458=14...(11) HA GLN 19 - QB ALA 98 lone 10 99 - 10 - 457/2.9=3, 4615/7001=2 HA TYR 54 - QB ALA 98 poor 9 85 - 10 - 3.0/7007=3, 457/2.9=2...(4) Peak 7001 from cnoeabs.peaks (5.18, 1.27, 19.20 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.81: HA ILE 16 + QB ALA 98 OK 78 100 - 78 - 6996/2.9=29, 3.6/6987=24...(16) HA LYS 94 + QB ALA 98 OK 16 100 - 15 - 6996/2.9=7, 6858/4.9=2...(6) Peak 7002 from cnoeabs.peaks (5.41, 1.27, 19.20 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.97: HA PHE 17 + QB ALA 98 OK 97 100 - 97 - 4666=35, 2.9/6987=31...(24) HA ASP 72 - QB ALA 98 OK 33 83 - 40 - 3.0/7007=10, 3.0/7008=8...(11) Peak 7003 from cnoeabs.peaks (5.54, 1.27, 19.20 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.85: HA THR 15 + QB ALA 98 OK 83 100 - 83 - 3.2/7014=26, 4.9/7001=22...(14) HA GLU 65 + QB ALA 98 OK 13 73 - 17 - 3.6/6986=5, 6014/2.9=3...(4) Peak 7004 from cnoeabs.peaks (5.74, 1.27, 19.20 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.80: HA THR 67 + QB ALA 98 OK 80 97 - 83 - 3.2/7015=26, 3.0/6093=21...(13) Peak 7005 from cnoeabs.peaks (2.81, 4.37, 51.99 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.93: HB2 PHE 17 + HA ALA 98 OK 88 99 - 89 - 4661=25, 1.8/7006=23...(14) HB2 ASP 72 + HA ALA 98 OK 39 99 - 40 - 7007/2.1=10, 1.8/7006=9...(8) HB2 TYR 54 - HA ALA 98 lone 9 95 - 10 - 7007/2.1=3, ~7000=2...(5) HB3 TYR 33 - HA ALA 98 lone 4 100 - 3 - Peak 7006 from cnoeabs.peaks (2.71, 4.37, 51.99 ppm; 3.64 A): 4 out of 5 assignments used, quality = 0.93: HB3 PHE 17 + HA ALA 98 OK 87 100 - 87 - 4662=25, 4677/2.1=22...(14) HB3 ASP 72 + HA ALA 98 OK 34 99 - 35 - 1.8/7005=9, 7008/2.1=7...(7) HB3 ASN 13 + HA ALA 98 OK 14 100 - 14 - 7008/2.1=7, 7009/3.0=4 HB2 ASP 81 + HA ALA 98 OK 10 99 - 10 - 4329/3.0=3, 7008/2.1=2...(4) HB3 ASN 24 - HA ALA 98 lone 5 97 - 5 - 7008/2.1=2, 7020/3.6=1 Peak 7007 from cnoeabs.peaks (2.82, 1.27, 19.20 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.96: HB2 PHE 17 + QB ALA 98 OK 93 100 - 93 - 4675=32, 1.8/4677=26...(18) HB2 ASP 72 + QB ALA 98 OK 44 100 - 45 - 7005/2.1=10, 1.8/7008=9...(11) HB2 TYR 54 - QB ALA 98 OK 14 99 - 14 - 3.0/7000=3, 7005/2.1=2...(6) HB3 TYR 33 - QB ALA 98 lone 4 100 - 4 - Peak 7008 from cnoeabs.peaks (2.72, 1.27, 19.20 ppm; 3.50 A): 4 out of 5 assignments used, quality = 0.94: HB3 PHE 17 + QB ALA 98 OK 83 96 - 87 - 4677=26, 1.8/4675=20...(18) HB3 ASP 72 + QB ALA 98 OK 36 100 - 36 - 1.8/7007=9, 7006/2.1=7...(9) HB3 ASN 13 + QB ALA 98 OK 35 99 - 35 - 3.5/4517=14, 3.5/4519=9...(7) HB2 ASP 81 + QB ALA 98 OK 11 100 - 11 - 4329/2.9=3, 7006/2.1=2...(5) HB3 ASN 24 - QB ALA 98 lone 8 100 - 7 - 4.4/4891=2, 7006/2.1=1 Peak 7014 from cnoeabs.peaks (1.16, 1.27, 19.20 ppm; 2.81 A): 4 out of 6 assignments used, quality = 0.72: QG2 THR 15 + QB ALA 98 OK 57 100 - 58 - 4569=26, 2.1/4568=11...(14) HB2 LEU 21 + QB ALA 98 OK 14 100 - 14 - 7012/2.9=3, ~7018=2, ~7012=2 HB3 LEU 21 + QB ALA 98 OK 14 100 - 14 - 7012/2.9=3, ~7018=2, ~7012=2 HG13 ILE 37 + QB ALA 98 OK 10 81 - 13 - 1942/3.6=3, 7012/2.9=2...(5) HG13 ILE 27 - QB ALA 98 lone 7 100 - 7 - QG2 THR 46 - QB ALA 98 lone 0 60 - 0 - Peak 7015 from cnoeabs.peaks (1.45, 1.27, 19.20 ppm; 3.11 A): 2 out of 10 assignments used, quality = 0.69: QG2 THR 67 + QB ALA 98 OK 64 100 - 64 - 6091=25, 2.1/6093=12...(14) HG12 ILE 80 + QB ALA 98 OK 14 100 - 14 - ~7018=5, ~6544=2...(4) HB ILE 51 - QB ALA 98 lone 7 100 - 7 - 3021/7004=1 QB ALA 31 - QB ALA 98 lone 6 98 - 6 - HB2 LYS 41 - QB ALA 98 lone 5 92 - 5 - HG3 LYS 94 - QB ALA 98 lone 4 95 - 4 - 4.0/7001=2 HG13 ILE 51 - QB ALA 98 lone 3 81 - 4 - HG2 LYS 63 - QB ALA 98 lone 3 81 - 4 - HG3 LYS 63 - QB ALA 98 lone 3 81 - 4 - HG2 LYS 44 - QB ALA 98 lone 1 87 - 1 - Peak 7023 from cnoeabs.peaks (7.31, 1.08, 21.69 ppm; 4.99 A): 0 out of 3 assignments used, low quality = 0.34: QD PHE 97 - QG2 THR 99 OK 27 73 - 37 - 6989/4.9=12, 2.4/6960=10...(6) H THR 26 - QG2 THR 99 OK 10 99 - 10 - 6989/4.9=5, 3.6/4029=2, 79/3.2=2 H GLY 38 - QG2 THR 99 poor 9 63 - 14 - 150/4.0=5, 6989/4.9=4 Peak 7024 from cnoeabs.peaks (7.01, 1.08, 21.69 ppm; 4.58 A): 2 out of 11 assignments used, quality = 0.74: HD21 ASN 13 + QG2 THR 99 OK 71 97 - 74 - 4518=26, 1.7/4520=22...(9) QE PHE 17 + QG2 THR 99 OK 11 99 - 11 - 6991/4.9=5, 7132/3.2=3, ~7132=1 HE22 GLN 19 - QG2 THR 99 lone 9 100 - 9 - 3.5/7029=5, 7132/3.2=1 HZ PHE 17 - QG2 THR 99 lone 6 68 - 10 - 6991/4.9=4, 7132/3.2=2, ~7132=2 QE PHE 83 - QG2 THR 99 lone 5 73 - 6 - 4.4/6604=2, 4.4/6605=2 HD21 ASN 24 - QG2 THR 99 lone 4 95 - 4 - 7132/3.2=1 HD22 ASN 91 - QG2 THR 99 lone 3 73 - 4 - 7132/3.2=1 HZ3 TRP 82 - QG2 THR 99 lone 2 60 - 4 - 6991/4.9=1 HZ PHE 88 - QG2 THR 99 lone 1 63 - 2 - HD21 ASN 52 - QG2 THR 99 lone 1 78 - 2 - HE22 GLN 48 - QG2 THR 99 lone 1 60 - 1 - Peak 7029 from cnoeabs.peaks (1.96, 1.08, 21.69 ppm; 3.78 A): 0 out of 10 assignments used, low quality = 0.00: HB VAL 95 - QG2 THR 99 lone 8 97 - 8 - 3.9/1043=2, 4.4/450=1 HG2 GLN 19 - QG2 THR 99 lone 3 85 - 3 - 3.5/7024=2 HB3 LYS 45 - QG2 THR 99 lone 1 99 - 1 - HB2 LYS 45 - QG2 THR 99 lone 1 99 - 1 - HB2 GLU 65 - QG2 THR 99 lone 1 81 - 1 - HG3 PRO 73 - QG2 THR 99 lone 1 99 - 1 - HG3 PRO 49 - QG2 THR 99 lone 1 90 - 1 - HB2 LYS 77 - QG2 THR 99 lone 1 78 - 1 - HB3 GLU 28 - QG2 THR 99 lone 1 78 - 1 - HG3 PRO 74 - QG2 THR 99 lone 1 63 - 1 - Peak 7030 from cnoeabs.peaks (1.26, 4.14, 62.48 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.87: QB ALA 98 + HA THR 99 OK 87 97 - 89 - 466/3.0=36, 4.9/4023=26...(11) HG3 LYS 35 - HA THR 99 lone 8 97 - 8 - 466/3.0=3, 5237=3, 1.8/5235=1 QG2 THR 26 - HA THR 99 lone 6 98 - 6 - 4921=2, 4.0/79=1 HG3 LYS 86 - HA THR 99 lone 2 99 - 2 - HG13 ILE 39 - HA THR 99 lone 2 60 - 3 - Peak 7032 from cnoeabs.peaks (0.27, 5.41, 55.05 ppm; 5.18 A): 3 out of 3 assignments used, quality = 0.96: QD1 ILE 16 + HA PHE 17 OK 87 95 - 92 - 4052/2.9=36, ~30=24...(20) QD1 LEU 21 + HA PHE 17 OK 52 96 - 55 - 4707/3.6=14, 31/2.9=9...(14) QG2 VAL 68 + HA PHE 17 OK 39 68 - 57 - 4.0/6144=28, 4707/3.6=11...(9) Peak 7033 from cnoeabs.peaks (8.50, 7.39, 120.51 ppm; 5.52 A): 2 out of 6 assignments used, quality = 0.99: H TRP 82 + HE3 TRP 82 OK 96 100 - 97 - 6.1=74, 3.0/3411=48...(7) H PHE 83 + HE3 TRP 82 OK 71 87 - 82 - 3.6/3411=45, 4.3/3431=38...(7) H ALA 98 - HE3 TRP 82 OK 16 78 - 19 - 3.0/3447=4, 6994/2.5=4...(8) H ASP 72 - HE3 TRP 82 poor 9 85 - 11 - 3426/4.2=2, 3416/4.2=2...(4) H THR 42 - HE3 TRP 82 lone 5 71 - 6 - 3426/4.2=1, 3416/4.2=1 H LEU 21 - HE3 TRP 82 lone 3 63 - 4 - Peak 7035 from cnoeabs.peaks (8.34, 0.87, 14.06 ppm; 4.43 A): 4 out of 4 assignments used, quality = 0.95: H ASN 52 + QD1 ILE 51 OK 65 78 - 83 - 4.1/2524=30, 4.6/2521=24...(14) H LYS 35 + QD1 ILE 51 OK 50 100 - 50 - 4.3/5712=13, 4.2/5739=9...(15) H LYS 94 + QD1 ILE 51 OK 49 97 - 51 - 6855=12, 433/3.2=11...(14) H GLY 64 + QD1 ILE 51 OK 40 95 - 42 - 5990/2.1=11, 3.0/5722=8...(10) Peak 7036 from cnoeabs.peaks (4.23, 2.01, 29.64 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.95: HA ILE 37 + HB3 GLN 36 OK 89 100 - 90 - 3.0/145=35, ~144=22...(17) HA TYR 33 + HB3 GLN 36 OK 36 63 - 57 - 5166/3.0=15, 5264/4.6=13...(9) HB THR 99 + HB3 GLN 36 OK 24 68 - 35 - 3.9/4139=7, 5250/3.0=5...(10) HA3 GLY 64 - HB3 GLN 36 lone 8 97 - 8 - ~5261=2, ~5262=2 HA VAL 68 - HB3 GLN 36 lone 3 89 - 3 - HA LYS 45 - HB3 GLN 36 lone 2 92 - 2 - Peak 7037 from cnoeabs.peaks (6.83, 6.97, 130.95 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 70 + QE PHE 70 OK 100 100 - 100 - 2.2=100 Peak 7038 from cnoeabs.peaks (6.83, 6.83, 128.33 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ PHE 70 + HZ PHE 70 OK 98 98 - 100 Peak 7039 from cnoeabs.peaks (6.98, 6.83, 128.33 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.93: QE PHE 70 + HZ PHE 70 OK 93 93 - 100 - 2.2=100 Peak 7040 from cnoeabs.peaks (7.43, 6.83, 128.33 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.95: QD PHE 34 + HZ PHE 70 OK 90 98 - 92 - 4856=41, 2.4/5173=33...(18) H ALA 76 + HZ PHE 70 OK 45 91 - 50 - ~6392=12, ~4711=12...(11) H THR 46 - HZ PHE 70 lone 6 96 - 7 - 6162/4780=1 Peak 7041 from cnoeabs.peaks (3.42, 6.83, 128.33 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.96: HB2 PHE 34 + HZ PHE 70 OK 89 98 - 91 - 5173=39, 2.4/4856=35...(18) HB2 PHE 70 + HZ PHE 70 OK 65 87 - 75 - 5.8=40, 2.5/4576=36...(8) HA ILE 80 - HZ PHE 70 OK 24 98 - 24 - 6498/4779=7, 6514/5.8=2...(9) HB2 PHE 83 - HZ PHE 70 OK 19 95 - 20 - 5.8/4840=5, 6597/4846=3...(7) HB2 SER 89 - HZ PHE 70 lone 3 57 - 5 - 6729/2.2=1 Peak 7042 from cnoeabs.peaks (2.77, 6.83, 128.33 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.98: HB3 PHE 34 + HZ PHE 70 OK 92 98 - 93 - 2.4/4856=38, 5175=37...(18) HB3 PHE 70 + HZ PHE 70 OK 79 98 - 81 - 5.8=51, 2.5/4576=39...(8) HB3 ASP 84 - HZ PHE 70 lone 4 98 - 4 - HB2 ASP 32 - HZ PHE 70 lone 3 81 - 4 - ~4802=1 Peak 7043 from cnoeabs.peaks (1.66, 6.83, 128.33 ppm; 4.12 A): 4 out of 18 assignments used, quality = 0.90: QB ALA 79 + HZ PHE 70 OK 55 97 - 57 - 6465=21, 6464/2.2=11...(15) HG12 ILE 40 + HZ PHE 70 OK 50 77 - 65 - 2.1/5405=20, 5406/3.8=10...(20) HB ILE 40 + HZ PHE 70 OK 45 77 - 58 - 3.2/5405=16, 2.1/4777=6...(19) HB VAL 18 + HZ PHE 70 OK 18 70 - 26 - ~4693=5, ~4697=4...(9) HG12 ILE 27 - HZ PHE 70 lone 9 98 - 9 - 5452/4780=1 HB2 MET 50 - HZ PHE 70 lone 7 94 - 8 - 6138/4780=1 HB3 LYS 61 - HZ PHE 70 lone 3 98 - 3 - HD2 LYS 94 - HZ PHE 70 lone 3 87 - 3 - HD3 LYS 94 - HZ PHE 70 lone 3 87 - 3 - HG3 GLN 19 - HZ PHE 70 lone 3 90 - 3 - HD3 LYS 35 - HZ PHE 70 lone 2 70 - 4 - HD3 LYS 61 - HZ PHE 70 lone 2 79 - 3 - HD2 LYS 61 - HZ PHE 70 lone 2 79 - 3 - HD2 LYS 44 - HZ PHE 70 lone 2 79 - 2 - HD3 LYS 44 - HZ PHE 70 lone 2 77 - 2 - HD3 LYS 63 - HZ PHE 70 lone 2 79 - 2 - HG3 ARG 57 - HZ PHE 70 lone 2 81 - 2 - HG2 ARG 57 - HZ PHE 70 lone 1 77 - 2 - Peak 7044 from cnoeabs.peaks (0.84, 6.83, 128.33 ppm; 4.33 A): 4 out of 9 assignments used, quality = 0.98: QG2 ILE 16 + HZ PHE 70 OK 79 93 - 85 - 3.1/4779=34, 4625/3.8=17...(27) QG2 ILE 37 + HZ PHE 70 OK 66 97 - 69 - 5301=21, 3.3/5308=19...(23) QG2 ILE 40 + HZ PHE 70 OK 46 65 - 72 - 3.3/5405=18, 3.2/4775=13...(21) QG1 VAL 30 + HZ PHE 70 OK 46 98 - 47 - 5070/4856=8, 5110/4780=8...(19) QG2 VAL 30 - HZ PHE 70 OK 44 98 - 45 - 5064/2.2=6, 5066/4856=5...(23) QG2 VAL 25 - HZ PHE 70 OK 31 70 - 44 - 2.1/1544=7, 2.1/1539=6...(14) QG2 ILE 80 - HZ PHE 70 OK 29 98 - 29 - 3.2/4773=4, 6518/5175=3...(14) QD2 LEU 62 - HZ PHE 70 OK 17 98 - 17 - 2.1/5963=4, 7100/5405=1...(6) QG1 VAL 18 - HZ PHE 70 OK 16 60 - 26 - 2.1/4775=6, ~4693=6...(8) Peak 7045 from cnoeabs.peaks (0.27, 6.83, 128.33 ppm; 4.41 A): 3 out of 3 assignments used, quality = 0.92: QD1 ILE 16 + HZ PHE 70 OK 77 93 - 84 - 4634/3.8=24, 4720/2.2=19...(26) QG2 VAL 68 + HZ PHE 70 OK 50 62 - 81 - 2.1/4780=39, 2.1/4776=29...(15) QD1 LEU 21 + HZ PHE 70 OK 32 91 - 35 - 4684/4856=5, 4785/2.2=4...(13) Peak 7046 from cnoeabs.peaks (-0.00, 6.83, 128.33 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 68 + HZ PHE 70 OK 90 94 - 96 - 2.1/4776=35, 6161/3.8=30...(24) Peak 7055 from cnoeabs.peaks (3.60, 0.83, 18.73 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.72: HA ALA 76 + QG2 ILE 16 OK 66 100 - 67 - 2.1/4589=23, 6382=18...(13) HA ALA 76 + QG2 ILE 37 OK 17 56 - 30 - 6382=8, 2.1/4589=6...(10) HB3 SER 69 - QG2 ILE 16 poor 7 60 - 11 - 4.5/6233=3, 4.0/6199=2...(5) HA2 GLY 90 - QG2 ILE 16 lone 5 100 - 4 - 4609/3.1=2 HB3 SER 69 - QG2 ILE 37 poor 4 27 - 13 - 4.0/6199=2, 1.8/6201=2...(6) HA2 GLY 90 - QG2 ILE 37 lone 1 56 - 2 - Peak 7056 from cnoeabs.peaks (3.42, 0.83, 18.73 ppm; 4.49 A): 4 out of 10 assignments used, quality = 0.96: HB2 PHE 70 + QG2 ILE 16 OK 62 96 - 65 - 2.5/4625=25, ~4634=18...(10) HA ILE 80 + QG2 ILE 16 OK 61 99 - 62 - 6498/3.1=17, 4.2/4586=14...(16) HB2 PHE 34 + QG2 ILE 16 OK 56 98 - 58 - ~4635=11, 4608/3.1=8...(15) HB2 PHE 83 + QG2 ILE 16 OK 41 100 - 41 - 2.4/4627=12, ~4636=8...(10) HB2 PHE 83 - QG2 ILE 37 OK 31 55 - 56 - ~4739=10, 5276/3.3=9...(13) HA ILE 80 - QG2 ILE 37 OK 27 53 - 51 - 3357/3.3=10, 3.0/957=8...(13) HB2 PHE 34 - QG2 ILE 37 OK 24 53 - 45 - ~5311=7, 5276/3.3=6...(14) HB2 PHE 70 - QG2 ILE 37 OK 13 50 - 26 - 2.5/4625=7, 5276/3.3=3...(8) HB2 SER 89 - QG2 ILE 16 lone 4 71 - 6 - 6726=2 HB2 SER 89 - QG2 ILE 37 lone 1 33 - 4 - Peak 7057 from cnoeabs.peaks (1.34, 0.26, 13.48 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.73: HB VAL 68 + QD1 ILE 16 OK 69 95 - 73 - 2.1/4596=25, 6120/2.1=18...(17) HG12 ILE 37 + QD1 ILE 16 OK 13 83 - 16 - 3.2/1320=2, 5282/6488=2...(6) HG12 ILE 93 - QD1 ILE 16 lone 7 87 - 8 - 6900/6909=3, 2.1/6849=2 Peak 7058 from cnoeabs.peaks (4.75, 0.83, 18.73 ppm; 4.48 A): 3 out of 6 assignments used, quality = 0.73: HA PHE 97 + QG2 ILE 16 OK 60 95 - 64 - 4615/3.2=23, 7137/4.4=23...(9) HA GLN 19 + QG2 ILE 16 OK 22 100 - 22 - 4615/3.2=7, 4655/4.4=4...(5) HA TYR 54 + QG2 ILE 16 OK 11 89 - 13 - 4655/4.4=3, 4615/3.2=3 HA PHE 97 - QG2 ILE 37 poor 7 49 - 15 - 3.6/7017=6, 3.7/6971=4...(5) HA GLN 19 - QG2 ILE 37 lone 2 55 - 3 - HA TYR 54 - QG2 ILE 37 lone 1 44 - 3 - Peak 7059 from cnoeabs.peaks (7.04, 7.04, 129.42 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * HZ PHE 17 + HZ PHE 17 OK 93 93 - 100 Peak 7060 from cnoeabs.peaks (7.11, 7.04, 129.42 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.81: QD PHE 17 + HZ PHE 17 OK 81 97 - 84 - 3.8=79, ~4650=12...(5) HH2 TRP 82 - HZ PHE 17 lone 1 60 - 2 - Peak 7061 from cnoeabs.peaks (2.14, 7.04, 129.42 ppm; 5.12 A): 2 out of 7 assignments used, quality = 0.88: HG3 GLU 65 + HZ PHE 17 OK 83 97 - 86 - 3.0/7062=19, 6012=19...(15) HB2 GLN 19 + HZ PHE 17 OK 28 65 - 44 - 3.0/4790=14, 4784/2.2=10...(8) HB2 PRO 73 - HZ PHE 17 lone 4 62 - 7 - ~4785=2, 2.3/4788=2, ~4682=1 HB2 GLU 58 - HZ PHE 17 lone 3 95 - 3 - HB3 GLU 58 - HZ PHE 17 lone 2 79 - 2 - HB3 LYS 35 - HZ PHE 17 lone 2 70 - 3 - HB2 GLN 36 - HZ PHE 17 lone 1 60 - 2 - Peak 7062 from cnoeabs.peaks (1.98, 7.04, 129.42 ppm; 4.46 A): 3 out of 8 assignments used, quality = 0.92: HB2 GLU 65 + HZ PHE 17 OK 80 95 - 85 - 3.0/4783=21, 6009=20...(16) HG2 GLN 19 + HZ PHE 17 OK 37 94 - 40 - 1.8/4790=14, 4682/2.2=9...(6) HG3 PRO 74 + HZ PHE 17 OK 33 97 - 34 - 1.8/4787=8, 2.3/4789=6...(8) HB2 LYS 77 - HZ PHE 17 lone 6 96 - 6 - 1.8/4787=1, 4682/2.2=1, ~4784=1 HB3 GLU 28 - HZ PHE 17 lone 2 96 - 2 - HB VAL 25 - HZ PHE 17 lone 2 92 - 2 - HG2 PRO 49 - HZ PHE 17 lone 2 76 - 2 - HB2 GLU 23 - HZ PHE 17 lone 1 72 - 1 - Peak 7063 from cnoeabs.peaks (1.83, 7.04, 129.42 ppm; 5.65 A): 2 out of 10 assignments used, quality = 0.94: HB3 GLU 65 + HZ PHE 17 OK 89 97 - 92 - 3.0/4783=29, 3.0/7061=27...(15) HB2 PRO 74 + HZ PHE 17 OK 43 91 - 47 - 2.3/7062=10, 2.3/4787=9...(8) HB2 LYS 61 - HZ PHE 17 OK 16 90 - 17 - 7064/2.2=5, 1.8/4790=4...(6) HB2 LYS 94 - HZ PHE 17 OK 12 96 - 12 - 7064/2.2=3, 6865/4787=2...(6) HB ILE 39 - HZ PHE 17 lone 9 96 - 9 - 3.9/5376=3, 5365/5327=1 HB ILE 37 - HZ PHE 17 poor 8 55 - 14 - 4.4/5329=3, 4786/2.2=2...(4) HB ILE 93 - HZ PHE 17 lone 3 81 - 4 - HG LEU 62 - HZ PHE 17 lone 3 86 - 4 - HB2 GLN 48 - HZ PHE 17 lone 3 76 - 4 - HG2 GLU 87 - HZ PHE 17 lone 2 62 - 4 - Peak 7064 from cnoeabs.peaks (1.83, 7.02, 131.06 ppm; 5.15 A): 5 out of 10 assignments used, quality = 0.94: HB3 GLU 65 + QE PHE 17 OK 85 92 - 93 - 4789/2.2=24, 6010=22...(18) HB2 PRO 74 + QE PHE 17 OK 40 91 - 44 - 2.3/4784=9, 4789/2.2=9...(8) HB2 LYS 61 + QE PHE 17 OK 19 90 - 21 - ~4792=4, 4789/2.2=3...(7) HB ILE 16 + QE PHE 17 OK 13 54 - 25 - 4048/6.5=11, 4663/5.6=6...(6) HB2 LYS 94 + QE PHE 17 OK 11 90 - 12 - 4789/2.2=2, 6865/4784=2...(6) HB ILE 37 - QE PHE 17 lone 6 61 - 9 - 4663/5.6=2, 27/6.5=2, 7063/2.2=1 HB ILE 39 - QE PHE 17 lone 4 90 - 4 - 7063/2.2=2 HB2 GLN 48 - QE PHE 17 lone 3 63 - 4 - HG LEU 62 - QE PHE 17 lone 2 74 - 3 - HB ILE 93 - QE PHE 17 lone 2 68 - 3 - Peak 7066 from cnoeabs.peaks (0.67, 1.10, 26.05 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.97: QG2 VAL 18 + HG LEU 21 OK 97 100 - 97 - ~4717=32, 4727/2.1=29...(20) Peak 7067 from cnoeabs.peaks (4.03, 0.82, 22.47 ppm; 4.90 A): 3 out of 8 assignments used, quality = 0.55: HB2 SER 29 + QG2 VAL 25 OK 35 76 - 47 - 4920/4.3=24, 5028/2.1=7...(10) HB2 SER 29 + QG1 VAL 30 OK 18 41 - 43 - 102/3.9=15, ~5035=8...(9) HA SER 75 + QG1 VAL 30 OK 16 58 - 28 - 6364/2.1=7, ~6365=4...(9) HA LYS 41 - QG1 VAL 30 poor 10 33 - 29 - 3.0/5462=5, 5470/3.2=5...(10) HA SER 75 - QG2 VAL 25 lone 6 97 - 6 - 4920/4.3=2 HA LYS 41 - QG2 VAL 25 lone 4 63 - 6 - 3.0/5462=2, 3.0/170=1 HA ARG 57 - QG2 VAL 25 lone 4 98 - 4 - HA ARG 57 - QG1 VAL 30 lone 2 60 - 3 - Peak 7069 from cnoeabs.peaks (6.91, 4.08, 62.58 ppm; 5.06 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 34 - HB3 SER 29 lone 4 73 - 6 - 8.2/4106=2 Peak 7070 from cnoeabs.peaks (6.98, 4.01, 62.58 ppm; 4.07 A): 4 out of 14 assignments used, quality = 0.76: HZ PHE 88 + HB2 SER 29 OK 58 100 - 58 - 5018/1.8=25, 4849=23...(7) HZ PHE 88 + HB3 SER 89 OK 27 77 - 35 - ~6729=12, 4849=11...(5) QE PHE 83 + HB2 SER 29 OK 13 100 - 13 - 5018/1.8=5, 5054/4.6=2 QE PHE 70 + HB2 SER 29 OK 10 95 - 11 - 5018/1.8=4, 5054/4.6=2 HE22 GLN 48 - HB2 SER 29 lone 7 100 - 7 - 5018/1.8=3 QE PHE 83 - HB3 SER 89 lone 5 76 - 6 - ~6729=2, 4629/6733=2 HE22 GLN 19 - HB2 SER 29 lone 4 63 - 6 - 1.7/4105=2, 5018/1.8=2...(4) HD21 ASN 52 - HB2 SER 29 lone 3 100 - 3 - 5018/1.8=1 QE PHE 70 - HB3 SER 89 lone 3 68 - 4 - 6729/1.8=1 HD21 ASN 24 - HB2 SER 29 lone 2 93 - 2 - HE22 GLN 48 - HB3 SER 89 lone 1 76 - 1 - HD21 ASN 52 - HB3 SER 89 lone 1 75 - 1 - HD21 ASN 24 - HB3 SER 89 lone 1 66 - 1 - HE22 GLN 19 - HB3 SER 89 lone 0 41 - 1 - Peak 7071 from cnoeabs.peaks (6.92, 4.01, 62.58 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.54: QE PHE 88 + HB2 SER 29 OK 37 68 - 55 - 2.2/4849=20, ~5018=19...(5) QE PHE 88 + HB3 SER 89 OK 27 45 - 61 - ~6728=25, 2.2/6733=14...(7) HZ PHE 83 - HB2 SER 29 lone 5 71 - 7 - ~5018=4 HZ PHE 83 - HB3 SER 89 lone 3 47 - 6 - ~6729=1, 4841/6733=1 Peak 7072 from cnoeabs.peaks (0.83, 3.89, 55.52 ppm; 4.24 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 40 + HA ALA 31 OK 90 97 - 93 - 3.3/5089=32, 5413=21...(24) QG1 VAL 30 + HA ALA 31 OK 77 93 - 82 - 4110/3.0=16, 2.1/5086=13...(21) QG2 VAL 30 + HA ALA 31 OK 64 83 - 77 - 4109/3.0=13, 2.1/5086=13...(20) QG2 ILE 16 - HA ALA 31 OK 20 100 - 20 - 4588/2.1=5, ~4601=3...(8) QG2 ILE 80 - HA ALA 31 OK 17 89 - 19 - 3.2/4432=3, 7073/2.1=3...(5) QG2 VAL 25 - HA ALA 31 OK 15 98 - 15 - 7073/2.1=2, ~5096=2...(6) QD2 LEU 62 - HA ALA 31 OK 13 97 - 13 - 7100/5089=2, 7073/2.1=2...(4) QG2 ILE 37 - HA ALA 31 OK 10 78 - 13 - 5287=2, 4588/2.1=1, 108/3.0=1 Peak 7073 from cnoeabs.peaks (0.82, 1.46, 17.52 ppm; 3.69 A): 3 out of 9 assignments used, quality = 0.98: QG2 ILE 40 + QB ALA 31 OK 90 99 - 90 - 3.3/5091=24, 5436=17...(29) QG1 VAL 30 + QB ALA 31 OK 67 85 - 79 - 4.2/1673=15, 2.1/5097=12...(25) QG2 VAL 30 + QB ALA 31 OK 55 71 - 78 - 4.2/1673=15, 2.1/5097=12...(22) QG2 ILE 16 - QB ALA 31 OK 23 99 - 23 - 4588=5, 3.1/4601=3...(7) QG2 ILE 80 - QB ALA 31 OK 20 78 - 26 - 7125/4.8=4, 4.4/5077=2...(9) QG2 VAL 25 - QB ALA 31 OK 17 100 - 17 - 2.1/5096=2, ~4881=1...(6) QD2 LEU 62 - QB ALA 31 OK 11 90 - 12 - 7100/5091=2, 7072/2.1=1 QG1 VAL 25 - QB ALA 31 poor 8 57 - 14 - 2.1/5096=2, 4905/5.0=2...(4) QG2 ILE 37 - QB ALA 31 poor 7 65 - 11 - 4588=1, 5287/2.1=1 Peak 7074 from cnoeabs.peaks (0.54, 2.16, 31.03 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.94: HG13 ILE 40 + HB3 LYS 35 OK 94 97 - 96 - 7075/1.8=38, ~7076=33...(13) HG13 ILE 40 + HB3 PRO 92 OK 10 58 - 17 - ~2040=4, 2.1/5230=3...(6) Peak 7075 from cnoeabs.peaks (0.54, 2.05, 31.03 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.97: HG13 ILE 40 + HB2 LYS 35 OK 97 100 - 97 - 1.8/7076=40, 7074/1.8=37...(14) Peak 7076 from cnoeabs.peaks (1.62, 2.05, 31.03 ppm; 4.08 A): 1 out of 7 assignments used, quality = 0.74: HG12 ILE 40 + HB2 LYS 35 OK 74 90 - 82 - 2.1/5444=24, 1.8/7075=20...(13) HD2 LYS 41 - HB2 LYS 35 lone 5 100 - 5 - 3.8/5465=1, 5.8/5457=1 HD3 LYS 41 - HB2 LYS 35 lone 5 100 - 5 - 3.8/5465=1, 5.8/5457=1 QB ALA 76 - HB2 LYS 35 lone 4 73 - 6 - 6378/3.0=2, ~6373=2, 6400/3.8=1 HB2 MET 50 - HB2 LYS 35 lone 2 68 - 3 - HB VAL 18 - HB2 LYS 35 lone 1 95 - 1 - HG3 GLN 19 - HB2 LYS 35 lone 1 76 - 1 - Peak 7077 from cnoeabs.peaks (1.84, 2.42, 33.99 ppm; 5.16 A): 3 out of 12 assignments used, quality = 0.86: HB ILE 37 + HG2 GLN 36 OK 82 97 - 85 - 3.9/146=28, 3.2/7181=25...(11) HB2 LYS 94 + HG2 GLN 36 OK 15 78 - 19 - 4.0/5261=6, 7078/1.8=4...(4) HB ILE 16 + HG2 GLN 36 OK 12 93 - 13 - 7078/1.8=3, 2.1/7183=3...(4) HB2 LYS 61 - HG2 GLN 36 lone 8 99 - 8 - 7078/1.8=2, 3.0/7180=2 HB2 PRO 74 - HG2 GLN 36 lone 4 99 - 4 - 7078/1.8=1 HB2 LYS 44 - HG2 GLN 36 lone 3 90 - 3 - HB3 LYS 44 - HG2 GLN 36 lone 3 85 - 3 - HB3 GLU 65 - HG2 GLN 36 lone 2 83 - 3 - HB ILE 27 - HG2 GLN 36 lone 2 78 - 3 - HD3 LYS 77 - HG2 GLN 36 lone 2 76 - 3 - HB ILE 39 - HG2 GLN 36 lone 2 78 - 2 - HB2 PRO 92 - HG2 GLN 36 lone 1 76 - 2 - Peak 7078 from cnoeabs.peaks (1.83, 2.30, 33.99 ppm; 4.92 A): 2 out of 12 assignments used, quality = 0.73: HB ILE 37 + HG3 GLN 36 OK 69 83 - 84 - 3.9/147=26, 3.2/7182=22...(11) HB2 LYS 94 + HG3 GLN 36 OK 12 95 - 13 - 6865/3.0=5, 7077/1.8=4, ~6866=3 HB ILE 16 - HG3 GLN 36 poor 9 76 - 11 - 7077/1.8=3, ~7183=2...(5) HB2 LYS 61 - HG3 GLN 36 lone 6 100 - 6 - 7077/1.8=2, ~7180=1 HG LEU 62 - HG3 GLN 36 lone 6 73 - 8 - 5953/4.0=3, ~7183=2, ~5045=1 HB2 PRO 74 - HG3 GLN 36 lone 4 100 - 4 - 7077/1.8=1 HB2 GLN 48 - HG3 GLN 36 lone 2 60 - 4 - 4.6/5260=2 HB2 LYS 44 - HG3 GLN 36 lone 2 71 - 3 - HB3 GLU 65 - HG3 GLN 36 lone 2 97 - 2 - HB ILE 93 - HG3 GLN 36 lone 2 65 - 3 - 3.2/6841=2 HB3 LYS 44 - HG3 GLN 36 lone 2 63 - 3 - HB ILE 39 - HG3 GLN 36 lone 2 95 - 2 - Peak 7079 from cnoeabs.peaks (4.30, 0.35, 11.68 ppm; 3.47 A): 0 out of 5 assignments used, low quality = 0.18: HA ASP 81 - QD1 ILE 37 OK 18 90 - 20 - 3.6/6578=10, 3.0/370=5 HA ASP 32 - QD1 ILE 37 lone 5 100 - 5 - 5290/3.3=1 HD2 PRO 73 - QD1 ILE 37 lone 4 76 - 5 - 5290/3.3=1 HA LYS 63 - QD1 ILE 37 lone 4 65 - 5 - 5290/3.3=1 HB THR 59 - QD1 ILE 37 lone 1 68 - 2 - Peak 7080 from cnoeabs.peaks (3.42, 0.85, 19.06 ppm; 4.71 A): 4 out of 10 assignments used, quality = 0.96: HB2 PHE 83 + QG2 ILE 37 OK 64 98 - 65 - 2.4/5303=15, ~4739=11...(13) HA ILE 80 + QG2 ILE 37 OK 59 100 - 59 - 3.0/5303=12, 3357/3.3=11...(13) HB2 PHE 34 + QG2 ILE 37 OK 58 100 - 58 - 2.4/5302=11, 5.8/7203=10...(15) HB2 PHE 34 + QG2 ILE 16 OK 34 55 - 63 - ~4635=12, 5.8/7203=10...(15) HA ILE 80 - QG2 ILE 16 OK 32 55 - 58 - 6498/3.1=19, ~6497=8...(14) HB2 PHE 70 - QG2 ILE 37 OK 29 90 - 33 - 5.8/5301=9, 4.4/5300=5...(8) HB2 PHE 70 - QG2 ILE 16 OK 27 45 - 59 - ~4634=20, ~7175=16...(10) HB2 PHE 83 - QG2 ILE 16 OK 20 53 - 38 - ~4636=9, 4608/3.1=7...(12) HB2 SER 89 - QG2 ILE 37 lone 3 60 - 5 - 1.8/5288=1 HB2 SER 89 - QG2 ILE 16 lone 1 27 - 4 - Peak 7081 from cnoeabs.peaks (2.38, 4.06, 57.23 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.98: HB3 ASP 71 + HA LYS 41 OK 87 100 - 87 - 6272/3.0=17, 6249=17...(23) HG3 MET 50 + HA LYS 41 OK 85 100 - 85 - ~5696=13, 5668/3.0=10...(30) HB3 PRO 74 - HA LYS 41 OK 21 100 - 21 - 5458/3.0=3, 2.3/5471=3...(9) HG2 PRO 73 - HA LYS 41 lone 5 83 - 6 - 3.8/5471=1 Peak 7082 from cnoeabs.peaks (2.58, 4.06, 57.23 ppm; 6.01 A): 1 out of 4 assignments used, quality = 0.94: HB2 ASP 71 + HA LYS 41 OK 94 96 - 98 - 6243/3.0=33, ~6263=29...(22) HB3 ASN 43 - HA LYS 41 poor 7 68 - 11 - 5539/5459=3, 5534/7081=3 HB2 ASN 52 - HA LYS 41 lone 5 89 - 5 - HB3 ASN 52 - HA LYS 41 lone 4 83 - 5 - Peak 7083 from cnoeabs.peaks (3.63, 1.20, 33.42 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.85: HB3 SER 69 + HB3 LYS 41 OK 85 100 - 85 - 5474/1.8=34, 6214/4.0=21...(18) HA2 GLY 90 - HB3 LYS 41 lone 2 57 - 3 - Peak 7084 from cnoeabs.peaks (3.74, 1.20, 33.42 ppm; 5.21 A): 5 out of 5 assignments used, quality = 0.93: HB THR 42 + HB3 LYS 41 OK 80 100 - 81 - 5500/3.0=37, 2140/4.6=26...(11) HA VAL 30 + HB3 LYS 41 OK 47 97 - 48 - 5470/3.0=8, 3.6/2066=7...(15) HA2 GLY 64 + HB3 LYS 41 OK 13 99 - 13 - 5980/4.6=2, 5470/3.0=2 HA2 GLY 20 + HB3 LYS 41 OK 12 100 - 11 - 5691/5673=2, 3.6/4164=2...(7) HA2 GLY 60 + HB3 LYS 41 OK 11 57 - 19 - ~5929=7, 5470/3.0=4...(5) Peak 7085 from cnoeabs.peaks (3.70, 1.63, 29.58 ppm; 4.87 A): 3 out of 10 assignments used, quality = 0.92: HB2 SER 69 + HD2 LYS 41 OK 68 100 - 68 - ~7184=17, 6189/3.8=15...(12) HB2 SER 69 + HD3 LYS 41 OK 68 100 - 68 - ~7184=17, 6189/3.8=15...(12) HB THR 42 + HD3 LYS 41 OK 21 65 - 33 - 5500/5.4=12, 5473/3.8=8...(5) HB THR 42 - HD2 LYS 41 OK 21 65 - 33 - 5500/5.4=12, 5473/3.8=8...(5) HD2 PRO 74 - HD2 LYS 41 OK 20 93 - 22 - 3.0/7086=3, 3.6/5482=2...(13) HD2 PRO 74 - HD3 LYS 41 OK 20 93 - 22 - 3.0/7086=3, 3.6/5482=2...(13) HA LEU 21 - HD2 LYS 41 lone 8 93 - 8 - 4.0/4811=1 HA LEU 21 - HD3 LYS 41 lone 8 93 - 8 - 4.0/4811=1 HA2 GLY 47 - HD2 LYS 41 lone 1 60 - 2 - HA2 GLY 47 - HD3 LYS 41 lone 1 60 - 2 - Peak 7086 from cnoeabs.peaks (2.39, 1.63, 29.58 ppm; 5.42 A): 4 out of 10 assignments used, quality = 1.00: HB3 ASP 71 + HD2 LYS 41 OK 88 93 - 95 - 6272/3.8=23, ~6262=17...(25) HB3 ASP 71 + HD3 LYS 41 OK 88 93 - 95 - 6272/3.8=23, ~6262=17...(25) HG3 MET 50 + HD2 LYS 41 OK 80 96 - 84 - ~5694=22, ~5672=15...(21) HG3 MET 50 + HD3 LYS 41 OK 80 96 - 84 - ~5694=22, ~5672=15...(21) HB3 PRO 74 - HD3 LYS 41 OK 37 96 - 38 - 3.9/6353=7, 7187/3.0=4...(14) HB3 PRO 74 - HD2 LYS 41 OK 37 96 - 38 - 3.9/6353=7, 7187/3.0=4...(14) HG3 GLN 48 - HD3 LYS 41 lone 3 87 - 3 - HG3 GLN 48 - HD2 LYS 41 lone 3 87 - 3 - HG2 GLN 36 - HD3 LYS 41 lone 2 57 - 3 - HG2 GLN 36 - HD2 LYS 41 lone 2 57 - 3 - Peak 7087 from cnoeabs.peaks (1.13, 1.95, 32.57 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.77: QG2 THR 46 + HB2 LYS 45 OK 52 100 - 53 - 5563=18, 799/4.0=15...(8) QG2 THR 46 + HB3 LYS 45 OK 52 100 - 53 - 5563=18, 799/4.0=15...(8) HB3 LEU 21 - HB2 LYS 45 lone 3 76 - 4 - 5546/4.0=1 HB3 LEU 21 - HB3 LYS 45 lone 3 76 - 4 - 5546/4.0=1 HB2 LEU 21 - HB2 LYS 45 lone 2 71 - 3 - HB2 LEU 21 - HB3 LYS 45 lone 2 71 - 3 - QG2 THR 15 - HB3 LYS 45 lone 1 71 - 2 - QG2 THR 15 - HB2 LYS 45 lone 1 71 - 2 - HG13 ILE 27 - HB2 LYS 45 lone 1 60 - 2 - HG13 ILE 27 - HB3 LYS 45 lone 1 60 - 2 - Peak 7088 from cnoeabs.peaks (1.10, 1.51, 24.75 ppm; 4.15 A): 3 out of 12 assignments used, quality = 0.90: HG LEU 21 + HG13 ILE 93 OK 66 81 - 81 - 6851/2.1=21, ~6850=16...(16) QG2 VAL 95 + HG13 ILE 93 OK 65 80 - 81 - 6906/2.1=28, 6900/1.8=23...(18) QG2 THR 46 + HG2 LYS 45 OK 17 47 - 36 - 4.0/201=9, 5563/3.0=9...(7) QG2 VAL 95 - HG2 LYS 45 lone 8 85 - 9 - 4.0/441=2, 6899=1 QG2 VAL 95 - HG3 LYS 41 lone 7 100 - 7 - 6899=1 HG LEU 21 - HG3 LYS 41 lone 5 100 - 5 - QG2 THR 46 - HG13 ILE 93 lone 4 44 - 10 - ~5559=1, 4.0/201=1...(6) QG2 THR 46 - HG3 LYS 41 lone 3 63 - 5 - 4.0/201=1 QG2 THR 99 - HG2 LYS 45 lone 3 63 - 5 - 7029/3.0=2, 7029/3.0=2 HG LEU 21 - HG2 LYS 45 lone 3 86 - 3 - QG2 THR 99 - HG13 ILE 93 lone 2 58 - 4 - QG2 THR 99 - HG3 LYS 41 lone 1 81 - 1 - Peak 7089 from cnoeabs.peaks (3.97, 1.94, 27.25 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.64: HA GLU 28 + HG3 PRO 49 OK 36 97 - 38 - 7090/1.8=19, 4414/5095=7...(6) HB3 SER 96 + HG3 PRO 49 OK 31 100 - 31 - 7090/1.8=14, 4.5/4203=8...(8) HA LYS 44 + HG3 PRO 49 OK 18 78 - 22 - 7090/1.8=9, 7144/2.3=5...(7) HB3 SER 89 - HG3 PRO 49 lone 2 65 - 4 - 7090/1.8=2 Peak 7090 from cnoeabs.peaks (3.98, 2.00, 27.25 ppm; 4.30 A): 3 out of 8 assignments used, quality = 0.54: HA GLU 28 + HG2 PRO 49 OK 31 99 - 31 - 7089/1.8=12, 4947/5642=6...(8) HB3 SER 96 + HG2 PRO 49 OK 23 98 - 23 - 7089/1.8=11, 4.5/4202=6...(5) HA LYS 44 + HG2 PRO 49 OK 15 89 - 16 - 7089/1.8=6, 7144/2.3=5...(5) HB3 SER 89 - HG2 PRO 49 lone 2 78 - 3 - HB3 SER 89 - HG2 PRO 92 lone 1 31 - 3 - 3726/2.3=2 HA GLU 28 - HG2 PRO 92 lone 1 46 - 2 - HB3 SER 96 - HG2 PRO 92 lone 1 44 - 1 - HA LYS 44 - HG2 PRO 92 lone 0 37 - 1 - Peak 7091 from cnoeabs.peaks (4.37, 2.27, 32.38 ppm; 4.58 A): 9 out of 18 assignments used, quality = 0.93: HA THR 42 + HG2 MET 50 OK 74 99 - 75 - 3.6/5525=19, 7092/1.8=18...(16) HB THR 46 + HG2 MET 50 OK 22 85 - 26 - ~5560=12, 5557/1.8=11...(5) HA LEU 62 + HG2 MET 50 OK 17 97 - 18 - 3.0/5701=8, 7092/1.8=4...(5) HA SER 29 + HB3 LYS 86 OK 14 82 - 17 - 2.9/98=5, ~96=3, 5025=3...(6) HA LEU 62 + HB3 LYS 86 OK 14 83 - 16 - 3.0/5701=7, 3.6/3572=3 HA SER 29 + HG2 MET 50 OK 13 97 - 14 - 2.9/98=3, 5025=3...(4) HA TRP 82 + HB3 LYS 86 OK 12 82 - 15 - 3.6/6678=6, 6579/4.7=4...(5) HA THR 42 + HB3 LYS 86 OK 12 86 - 13 - 5025=2, 3.6/5525=2...(4) HA LYS 61 + HG2 MET 50 OK 11 81 - 13 - 3.6/5701=7, 7092/1.8=2...(4) HA LYS 61 - HB3 LYS 86 poor 8 66 - 11 - 3.6/5701=6 HA PRO 73 - HG2 MET 50 lone 7 76 - 9 - 7052/5.0=3, 7092/1.8=2 HB THR 46 - HB3 LYS 86 lone 7 70 - 10 - ~3583=2, ~3593=2...(4) HA TRP 82 - HG2 MET 50 lone 6 97 - 6 - 3.0/5684=1, 7092/1.8=1 HA SER 11 - HG2 MET 50 lone 5 92 - 5 - 4.8/5685=3 HA ALA 98 - HG2 MET 50 lone 5 100 - 5 - 7092/1.8=1, 7052/5.0=1 HA ALA 98 - HB3 LYS 86 lone 4 89 - 4 - ~3557=1, 3.0/6678=1 HA PRO 73 - HB3 LYS 86 lone 2 61 - 2 - HA SER 11 - HB3 LYS 86 lone 1 77 - 2 - Peak 7092 from cnoeabs.peaks (4.37, 2.38, 32.38 ppm; 4.45 A): 3 out of 9 assignments used, quality = 0.81: HA THR 42 + HG3 MET 50 OK 67 99 - 68 - 3.6/5524=20, 5025/1.8=13...(14) HB THR 46 + HG3 MET 50 OK 32 85 - 38 - 2.1/5560=15, 5557=11...(6) HA LEU 62 + HG3 MET 50 OK 14 97 - 15 - ~5701=5, 7091/1.8=3...(5) HA SER 29 - HG3 MET 50 poor 10 97 - 10 - 5025/1.8=3, 5505/5.0=2, ~98=2 HA PRO 73 - HG3 MET 50 lone 7 76 - 9 - 7052/5.0=3, 7091/1.8=1 HA LYS 61 - HG3 MET 50 lone 6 81 - 8 - 3.6/5703=2, 7091/1.8=2 HA ALA 98 - HG3 MET 50 lone 5 100 - 4 - 7052/5.0=1 HA TRP 82 - HG3 MET 50 lone 4 97 - 4 - HA SER 11 - HG3 MET 50 lone 2 92 - 3 - Peak 7093 from cnoeabs.peaks (1.52, 0.72, 16.24 ppm; 3.56 A): 6 out of 10 assignments used, quality = 0.85: HG LEU 53 + QG2 ILE 51 OK 63 87 - 72 - 2.1/5751=39, 7095=31...(13) HG13 ILE 93 + QG2 ILE 51 OK 27 100 - 27 - 2.1/3840=9, 4.2/3805=4...(8) HB3 LEU 62 + QG2 ILE 51 OK 21 98 - 21 - 3.1/2504=5, 5965/4.1=4...(8) HB3 LYS 94 + QG2 ILE 51 OK 11 83 - 13 - 4.0/433=6, 3864/4.1=2 HG3 LYS 41 + QG2 ILE 51 OK 11 98 - 11 - ~5477=2, ~5478=2...(5) HG2 LYS 94 + QG2 ILE 51 OK 11 97 - 11 - 4.9/433=5, 3874/4.1=1 HB3 LYS 63 - QG2 ILE 51 lone 9 96 - 9 - ~5764=1, 1.8/5733=1 HG2 LYS 45 - QG2 ILE 51 lone 3 100 - 3 - HG2 LYS 86 - QG2 ILE 51 lone 3 78 - 3 - HD2 LYS 86 - QG2 ILE 51 lone 2 71 - 3 - Peak 7094 from cnoeabs.peaks (8.42, 2.59, 40.23 ppm; 3.38 A): 2 out of 8 assignments used, quality = 0.79: H THR 67 + HB2 ASN 52 OK 54 100 - 54 - 6084=20, 6084/1.8=15...(10) H THR 67 + HB3 ASN 52 OK 54 100 - 54 - 6084=20, 6084/1.8=15...(10) H GLY 60 - HB2 ASN 52 lone 4 97 - 4 - 5927/4.3=2 H GLY 60 - HB3 ASN 52 lone 4 97 - 4 - 5927/4.3=2 H ASP 71 - HB2 ASN 52 lone 4 65 - 6 - 925=2, 925/1.8=1 H ASP 71 - HB3 ASN 52 lone 4 65 - 6 - 925=2, 925/1.8=1 H GLY 90 - HB2 ASN 52 lone 1 97 - 1 - H GLY 90 - HB3 ASN 52 lone 1 96 - 1 - Peak 7095 from cnoeabs.peaks (0.72, 1.50, 26.43 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.73: QG2 ILE 51 + HG LEU 53 OK 69 100 - 70 - 5751/2.1=41, 7093=16...(14) QG2 ILE 93 + HG LEU 53 OK 12 100 - 12 - 3822/2.1=3, 4.4/1034=2...(4) QD1 ILE 40 - HG LEU 53 lone 4 68 - 6 - Peak 7097 from cnoeabs.peaks (4.79, 4.36, 56.01 ppm; 3.23 A): 3 out of 10 assignments used, quality = 0.63: HA THR 55 + HA LEU 62 OK 44 100 - 45 - 7053/3.6=13, 3.2/5862=10...(8) HA THR 55 + HA LYS 61 OK 25 63 - 39 - 3.2/5862=10, 3.0/5861=7...(11) HA ILE 51 + HA LEU 62 OK 13 99 - 13 - 7053/3.6=5, 5960/4.0=3 HA PHE 70 - HA LEU 62 lone 5 76 - 6 - 7053/3.6=2, 5960/4.0=2 HA ILE 51 - HA LYS 61 lone 3 60 - 5 - HA TYR 54 - HA LYS 61 lone 1 39 - 3 - ~5836=1 HA PHE 70 - HA LYS 61 lone 1 41 - 3 - HA TYR 54 - HA LEU 62 lone 1 73 - 1 - HA PHE 97 - HA LEU 62 lone 0 63 - 1 - HA PHE 97 - HA LYS 61 lone 0 33 - 1 - Peak 7098 from cnoeabs.peaks (0.77, 1.81, 27.33 ppm; 6.12 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 53 + HG LEU 62 OK 94 100 - 94 - ~5962=44, 7099/2.1=34...(15) QG1 VAL 25 + HG LEU 62 OK 61 85 - 73 - 4902/2.1=23, ~4898=19...(14) QD1 ILE 40 - HG LEU 62 OK 16 73 - 21 - 7099/2.1=7, 7100/2.1=4...(6) QD1 ILE 93 - HG LEU 62 OK 13 92 - 14 - 7099/2.1=1, ~7100=1, ~5051=1 Peak 7099 from cnoeabs.peaks (0.76, 1.00, 26.12 ppm; 3.28 A): 2 out of 3 assignments used, quality = 0.76: QD1 LEU 53 + QD1 LEU 62 OK 72 97 - 74 - 2.1/5962=25, 5826=21...(16) QD1 ILE 40 + QD1 LEU 62 OK 15 97 - 15 - 7100/2.1=5, 5455/6134=1...(4) QD1 ILE 93 - QD1 LEU 62 lone 3 60 - 5 - Peak 7100 from cnoeabs.peaks (0.75, 0.84, 23.71 ppm; 2.78 A): 4 out of 6 assignments used, quality = 0.69: QD1 LEU 53 + QD2 LEU 62 OK 50 85 - 59 - 7099/2.1=18, 5825=11...(14) QD1 ILE 40 + QG2 VAL 30 OK 16 53 - 30 - 2039/4.2=5, 5445/2.1=4...(8) QD1 ILE 40 + QD2 LEU 62 OK 15 100 - 14 - 7099/2.1=4, 2042=3 QD1 LEU 53 + QG2 VAL 30 OK 14 39 - 36 - 5825=7, 2.1/5821=6...(14) QG2 ILE 93 - QG2 VAL 30 poor 4 25 - 15 - 5037/3.9=2, 6833/2.1=2...(4) QG2 ILE 93 - QD2 LEU 62 lone 3 60 - 5 - 4.4/5967=1 Peak 7101 from cnoeabs.peaks (1.98, 1.88, 33.95 ppm; 4.20 A): 4 out of 8 assignments used, quality = 0.70: HB2 LYS 77 + HB2 LYS 63 OK 42 100 - 42 - 7208/1.8=8, 3267=6...(14) HB2 GLU 65 + HB2 LYS 63 OK 28 100 - 28 - 7114/1.8=14, 3.7/5973=8...(5) HB VAL 25 + HB2 LYS 63 OK 17 95 - 18 - ~4906=4, 7208/1.8=4...(5) HB3 GLU 28 + HB2 LYS 63 OK 12 100 - 12 - 7208/1.8=2, 3.0/5004=2...(5) HG2 GLN 19 - HB2 LYS 63 lone 9 100 - 9 - 4734/1.8=4, ~4732=2, ~4733=2 HG2 PRO 49 - HB2 LYS 63 poor 9 76 - 11 - 7208/1.8=2 HG3 PRO 74 - HB2 LYS 63 lone 8 100 - 8 - 7208/1.8=2, 5840/7106=1 HB2 GLU 23 - HB2 LYS 63 lone 6 71 - 8 - 3.0/4860=2, 3.0/4864=2...(4) Peak 7102 from cnoeabs.peaks (4.81, 1.43, 25.09 ppm; 3.68 A): 6 out of 12 assignments used, quality = 0.69: HA THR 55 + HG3 LYS 61 OK 21 80 - 27 - 7097/3.9=6, ~5867=5...(9) HA THR 55 + HG2 LYS 61 OK 21 78 - 27 - 7097/3.9=6, ~5867=5...(9) HA THR 55 + HG2 LYS 63 OK 19 97 - 20 - 7053/4.9=11, 3.6/5976=3...(5) HA THR 55 + HG3 LYS 63 OK 19 97 - 20 - 7053/4.9=11, 3.6/5976=3...(5) HA ILE 51 + HG2 LYS 63 OK 12 99 - 12 - 7053/4.9=5, 7148/4.2=1 HA ILE 51 + HG3 LYS 63 OK 12 99 - 12 - 7053/4.9=5, 7148/4.2=1 HA PHE 70 - HG2 LYS 63 lone 5 98 - 5 - 7053/4.9=2 HA PHE 70 - HG3 LYS 63 lone 5 98 - 5 - 7053/4.9=2 HA ILE 51 - HG3 LYS 61 lone 5 85 - 5 - HA ILE 51 - HG2 LYS 61 lone 4 83 - 5 - HA PHE 70 - HG3 LYS 61 lone 2 82 - 2 - HA PHE 70 - HG2 LYS 61 lone 2 81 - 2 - Peak 7103 from cnoeabs.peaks (4.63, 1.59, 28.85 ppm; 4.44 A): 0 out of 5 assignments used, low quality = 0.35: HA ASP 56 - HD2 LYS 63 OK 24 97 - 25 - 7214/1.8=7, 7104/3.0=4...(8) HA ASN 13 - HD2 LYS 63 OK 14 93 - 15 - 3.6/4539=5, 7214/1.8=3...(5) HA PHE 83 - HD2 LYS 63 lone 3 63 - 4 - HA PRO 92 - HD2 LYS 63 lone 2 73 - 3 - HA ASP 12 - HD2 LYS 63 lone 1 63 - 2 - Peak 7104 from cnoeabs.peaks (4.63, 1.43, 25.09 ppm; 5.79 A): 4 out of 16 assignments used, quality = 0.93: HA ASP 56 + HG2 LYS 63 OK 53 99 - 55 - 7103/3.0=24, 7214/3.0=8...(11) HA ASP 56 + HG3 LYS 63 OK 53 99 - 55 - 7103/3.0=24, 7214/3.0=8...(11) HA ASP 56 + HG3 LYS 61 OK 44 83 - 54 - 3.0/7111=8, 3.0/5976=8...(13) HA ASP 56 + HG2 LYS 61 OK 43 81 - 54 - 3.0/7111=8, ~5884=8...(13) HA ASN 13 - HG2 LYS 63 OK 22 96 - 23 - 7103/3.0=15, 7214/3.0=4, ~4534=2 HA ASN 13 - HG3 LYS 63 OK 22 96 - 23 - 7103/3.0=15, 7214/3.0=4, ~4534=2 HA PRO 92 - HG2 LYS 63 lone 4 68 - 6 - 7103/3.0=2 HA PRO 92 - HG3 LYS 63 lone 4 68 - 6 - 7103/3.0=2 HA ASN 13 - HG3 LYS 61 lone 3 79 - 4 - HA ASN 13 - HG2 LYS 61 lone 3 77 - 4 - HA ASP 12 - HG3 LYS 63 lone 3 68 - 4 - 7103/3.0=1 HA ASP 12 - HG2 LYS 63 lone 3 68 - 4 - 7103/3.0=1 HA PRO 92 - HG3 LYS 61 lone 2 53 - 3 - HA PRO 92 - HG2 LYS 61 lone 2 51 - 3 - HA ASP 12 - HG3 LYS 61 lone 1 53 - 3 - HA ASP 12 - HG2 LYS 61 lone 1 51 - 3 - Peak 7105 from cnoeabs.peaks (2.82, 1.88, 33.95 ppm; 4.80 A): 4 out of 4 assignments used, quality = 0.95: HB2 TYR 54 + HB2 LYS 63 OK 87 99 - 88 - 1.8/7106=38, ~7108=31...(17) HB2 PHE 17 + HB2 LYS 63 OK 34 100 - 34 - 7107/1.8=8, 7209/3.9=6...(9) HB3 TYR 33 + HB2 LYS 63 OK 27 100 - 27 - 7107/1.8=7, 5144/4.7=6...(7) HB2 ASP 72 + HB2 LYS 63 OK 18 100 - 17 - 7107/1.8=4, 6291/3.0=4...(7) Peak 7106 from cnoeabs.peaks (3.15, 1.88, 33.95 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.88: HB3 TYR 54 + HB2 LYS 63 OK 88 97 - 91 - 7108/1.8=42, 7210/3.9=30...(16) Peak 7107 from cnoeabs.peaks (2.82, 1.53, 33.95 ppm; 4.52 A): 4 out of 4 assignments used, quality = 0.94: HB2 TYR 54 + HB3 LYS 63 OK 86 100 - 86 - 1.8/7108=38, ~7106=25...(18) HB2 PHE 17 + HB3 LYS 63 OK 31 100 - 31 - 7105/1.8=7, 7209/3.9=5...(10) HB3 TYR 33 + HB3 LYS 63 OK 24 99 - 24 - 7105/1.8=6, 5144/4.7=6...(7) HB2 ASP 72 + HB3 LYS 63 OK 16 100 - 16 - 7105/1.8=4, 6291/3.0=3...(4) Peak 7108 from cnoeabs.peaks (3.16, 1.53, 33.95 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.87: HB3 TYR 54 + HB3 LYS 63 OK 87 100 - 87 - 7106/1.8=34, 7210/3.9=26...(16) Peak 7109 from cnoeabs.peaks (3.16, 1.43, 25.09 ppm; 4.56 A): 2 out of 8 assignments used, quality = 0.99: HB3 TYR 54 + HG2 LYS 63 OK 92 100 - 92 - 7108/2.9=31, 7210/3.0=27...(25) HB3 TYR 54 + HG3 LYS 63 OK 92 100 - 92 - 7108/2.9=31, 7210/3.0=27...(25) HB3 TYR 54 - HG3 LYS 61 OK 41 86 - 47 - 5836/3.0=6, 5839/1.8=5...(18) HB3 TYR 54 - HG2 LYS 61 OK 40 84 - 47 - 5836/3.0=6, 5839/1.8=5...(18) HB2 ASP 84 - HG2 LYS 63 lone 2 60 - 3 - HB2 ASP 84 - HG3 LYS 63 lone 2 60 - 3 - HB2 ASP 84 - HG3 LYS 61 lone 1 46 - 2 - HB2 ASP 84 - HG2 LYS 61 lone 1 45 - 2 - Peak 7110 from cnoeabs.peaks (2.82, 1.43, 25.09 ppm; 4.95 A): 4 out of 16 assignments used, quality = 1.00: HB2 TYR 54 + HG2 LYS 63 OK 94 99 - 96 - ~7108=26, ~7210=26...(27) HB2 TYR 54 + HG3 LYS 63 OK 94 99 - 96 - ~7108=26, ~7210=26...(27) HB2 PHE 17 + HG3 LYS 63 OK 54 100 - 55 - 7107/2.9=7, 7209/3.0=7...(16) HB2 PHE 17 + HG2 LYS 63 OK 54 100 - 55 - 7107/2.9=7, 7209/3.0=7...(16) HB2 TYR 54 - HG3 LYS 61 OK 43 83 - 52 - 1.8/7109=7, 5842/3.0=5...(19) HB2 TYR 54 - HG2 LYS 61 OK 42 81 - 52 - 1.8/7109=6, 5842/3.0=5...(19) HB3 TYR 33 - HG3 LYS 63 OK 23 100 - 23 - 7107/2.9=6, 7105/2.9=6...(6) HB3 TYR 33 - HG2 LYS 63 OK 23 100 - 23 - 7107/2.9=6, 7105/2.9=6...(6) HB2 PHE 17 - HG3 LYS 61 OK 22 87 - 26 - 2.4/4652=4, ~4792=3...(11) HB2 PHE 17 - HG2 LYS 61 OK 21 85 - 25 - 2.4/4652=4, ~4792=3...(10) HB2 ASP 72 - HG3 LYS 63 OK 17 100 - 17 - 7107/2.9=4, 7105/2.9=4...(5) HB2 ASP 72 - HG2 LYS 63 OK 17 100 - 17 - 7107/2.9=4, 7105/2.9=4...(5) HB3 TYR 33 - HG3 LYS 61 lone 3 87 - 4 - HB3 TYR 33 - HG2 LYS 61 lone 3 85 - 4 - HB2 ASP 72 - HG3 LYS 61 lone 3 87 - 3 - HB2 ASP 72 - HG2 LYS 61 lone 3 85 - 3 - Peak 7111 from cnoeabs.peaks (2.44, 1.43, 25.09 ppm; 4.00 A): 6 out of 16 assignments used, quality = 0.74: HB3 ASP 56 + HG3 LYS 61 OK 26 86 - 31 - 5942/4.7=10, 6682/3.0=5...(10) HB3 ASP 56 + HG2 LYS 61 OK 26 84 - 31 - 5942/4.7=10, 6682/3.0=5...(10) HB3 ASP 56 + HG3 LYS 63 OK 21 100 - 22 - ~7103=7, 4.0/5976=3...(7) HB3 ASP 56 + HG2 LYS 63 OK 21 100 - 22 - ~7103=7, 4.0/5976=3...(7) HE2 LYS 86 + HG3 LYS 61 OK 13 84 - 15 - 5942/4.7=4, 6682/3.0=3...(5) HE2 LYS 86 + HG2 LYS 61 OK 12 82 - 15 - 5942/4.7=4, 6682/3.0=3...(5) HE2 LYS 86 - HG2 LYS 63 lone 8 99 - 8 - 6682/2.9=1 HE2 LYS 86 - HG3 LYS 63 lone 8 99 - 8 - 6682/2.9=1 HG3 GLU 28 - HG3 LYS 63 lone 5 68 - 7 - ~7101=1, ~5000=1, 5004/2.9=1 HG3 GLU 28 - HG2 LYS 63 lone 5 68 - 7 - ~7101=1, ~5000=1, 5004/2.9=1 HG2 GLN 36 - HG3 LYS 61 lone 3 68 - 4 - HG2 GLN 36 - HG2 LYS 61 lone 3 66 - 4 - HG2 GLN 36 - HG2 LYS 63 lone 1 85 - 2 - HG2 GLN 36 - HG3 LYS 63 lone 1 85 - 2 - HG3 GLU 28 - HG3 LYS 61 lone 1 53 - 1 - HG3 GLU 28 - HG2 LYS 61 lone 1 51 - 1 - Peak 7112 from cnoeabs.peaks (8.22, 3.74, 46.08 ppm; 5.00 A): 2 out of 8 assignments used, quality = 0.56: H GLY 20 + HA2 GLY 64 OK 49 100 - 50 - 7113/1.8=18, 4.6/5980=12...(10) H SER 29 + HA2 GLY 64 OK 14 96 - 15 - 7113/1.8=5, 4781/5993=2...(4) H GLU 87 - HA2 GLY 64 poor 9 73 - 12 - 7113/1.8=4, 4.6/5979=3 H ASP 12 - HA2 GLY 64 lone 6 97 - 6 - 7113/1.8=2 H GLY 20 - HA2 GLY 60 lone 1 44 - 3 - H SER 29 - HA2 GLY 60 lone 1 39 - 2 - H ASP 12 - HA2 GLY 60 lone 1 40 - 2 - H GLU 87 - HA2 GLY 60 lone 0 27 - 2 - Peak 7113 from cnoeabs.peaks (8.21, 4.24, 46.08 ppm; 5.12 A): 5 out of 8 assignments used, quality = 0.72: H GLY 20 + HA3 GLY 64 OK 52 100 - 52 - 7112/1.8=25, 4.6/4798=10...(12) H SER 29 + HA3 GLY 64 OK 16 90 - 17 - 7112/1.8=7, ~4417=2...(5) H GLU 87 + HA3 GLY 85 OK 13 42 - 31 - 1127/3.6=23, 3.6/6643=4 H GLY 20 + HA3 GLY 85 OK 11 59 - 19 - 1127/3.6=9, 4.6/4798=4 H GLU 87 + HA3 GLY 64 OK 10 83 - 12 - 7112/1.8=5, 4846/4835=1 H ASP 12 - HA3 GLY 64 lone 6 92 - 6 - 7112/1.8=3 H SER 29 - HA3 GLY 85 lone 2 48 - 3 - H ASP 12 - HA3 GLY 85 lone 1 49 - 2 - Peak 7114 from cnoeabs.peaks (1.54, 1.98, 33.99 ppm; 4.64 A): 2 out of 10 assignments used, quality = 0.50: HB3 LYS 63 + HB2 GLU 65 OK 37 97 - 39 - 6004/3.7=12, 7208=11...(7) HB3 LYS 94 + HB2 GLU 65 OK 20 100 - 20 - 6866/3.0=7, 6004/3.7=5...(5) HB3 LEU 62 - HB2 GLU 65 lone 7 95 - 8 - 6004/3.7=5, ~6000=1 HD2 LYS 86 - HB2 GLU 65 lone 5 100 - 5 - 6004/3.7=2 HG13 ILE 93 - HB2 GLU 65 lone 4 87 - 5 - 6004/3.7=1 HB3 GLU 87 - HB2 GLU 65 lone 4 83 - 5 - ~2986=1, 6004/3.7=1 HB3 PRO 49 - HB2 GLU 65 lone 4 73 - 5 - 6004/3.7=1 HG2 LYS 77 - HB2 GLU 65 lone 3 60 - 5 - 5843/6017=1 HG3 LYS 44 - HB2 GLU 65 lone 3 92 - 3 - HG2 LYS 45 - HB2 GLU 65 lone 2 73 - 2 - Peak 7115 from cnoeabs.peaks (4.81, 4.25, 61.01 ppm; 3.54 A): 3 out of 3 assignments used, quality = 0.89: HA ILE 51 + HA VAL 68 OK 77 99 - 78 - 3.2/6118=16, 4.0/6116=12...(19) HA PHE 70 + HA VAL 68 OK 43 98 - 44 - 7117/3.2=9, 7054/3.6=8...(12) HA THR 55 + HA VAL 68 OK 14 97 - 14 - 3.2/6116=3, 7054/3.6=3...(5) Peak 7116 from cnoeabs.peaks (4.80, 0.29, 19.51 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.96: HA ILE 51 + QG2 VAL 68 OK 89 100 - 89 - 3.2/6123=29, 7115/3.2=19...(17) HA PHE 70 + QG2 VAL 68 OK 63 93 - 67 - ~6234=15, 7117/2.1=14...(19) HA THR 55 - QG2 VAL 68 OK 19 99 - 19 - 7115/3.2=3, 7117/2.1=3...(7) Peak 7117 from cnoeabs.peaks (4.82, 0.01, 20.65 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.98: HA ILE 51 + QG1 VAL 68 OK 86 92 - 94 - 3.2/5754=26, 4.2/5761=26...(21) HA PHE 70 + QG1 VAL 68 OK 84 100 - 84 - 3.0/6234=22, 3.7/6161=21...(22) HA THR 55 - QG1 VAL 68 OK 19 83 - 22 - 3.2/6134=4, 7116/2.1=4...(8) Peak 7118 from cnoeabs.peaks (3.50, 3.44, 41.65 ppm; 4.04 A): 0 out of 4 assignments used, low quality = 0.37: HB2 ASN 14 - HB2 PHE 70 OK 37 99 - 37 - 4522/4.1=20, 4527/1.8=17...(4) HB3 PHE 83 - HB2 PHE 70 lone 6 93 - 6 - 4.0/977=2, 4.3/388=1 HD3 PRO 74 - HB2 PHE 70 lone 3 68 - 4 - 3.0/6223=1 HA ILE 27 - HB2 PHE 70 lone 3 90 - 3 - 4958/5447=2 Peak 7119 from cnoeabs.peaks (1.49, 2.59, 41.97 ppm; 5.42 A): 2 out of 8 assignments used, quality = 0.96: HG3 LYS 41 + HB2 ASP 71 OK 81 85 - 95 - ~6263=24, ~6262=22...(23) HB2 LYS 41 + HB2 ASP 71 OK 81 83 - 97 - ~6263=31, ~6272=26...(25) HG2 LYS 94 - HB2 ASP 71 OK 21 89 - 24 - 2.9/6265=4, 7120/1.8=4...(9) QB ALA 31 - HB2 ASP 71 OK 21 68 - 30 - 2.9/6243=6, ~6244=4...(8) HG2 LYS 45 - HB2 ASP 71 OK 16 68 - 24 - ~6262=3, ~7121=3...(12) HG LEU 53 - HB2 ASP 71 OK 12 97 - 12 - 7095/5731=3, 7120/1.8=2...(5) HG2 LYS 86 - HB2 ASP 71 OK 11 99 - 10 - 7120/1.8=2, 6261/3.0=1...(4) HG2 LYS 44 - HB2 ASP 71 lone 7 89 - 8 - 7120/1.8=1 Peak 7120 from cnoeabs.peaks (1.49, 2.38, 41.97 ppm; 5.29 A): 2 out of 8 assignments used, quality = 0.96: HB2 LYS 41 + HB3 ASP 71 OK 80 83 - 97 - 1.8/6272=33, ~6263=30...(25) HG3 LYS 41 + HB3 ASP 71 OK 80 85 - 95 - 3.0/6272=28, ~6263=23...(22) QB ALA 31 - HB3 ASP 71 OK 21 68 - 31 - 2.9/6244=6, ~6243=5...(8) HG2 LYS 94 - HB3 ASP 71 OK 21 89 - 23 - 2.9/6269=4, 7119/1.8=3...(9) HG2 LYS 45 - HB3 ASP 71 OK 16 68 - 23 - 1.8/7121=3, ~6262=3...(12) HG2 LYS 86 - HB3 ASP 71 OK 11 99 - 10 - 7119/1.8=2, 6261/3.0=1...(4) HG LEU 53 - HB3 ASP 71 OK 10 97 - 10 - 7119/1.8=2, 6256/3.9=2...(4) HG2 LYS 44 - HB3 ASP 71 lone 8 89 - 8 - 7119/1.8=1 Peak 7121 from cnoeabs.peaks (1.41, 2.38, 41.97 ppm; 5.54 A): 3 out of 11 assignments used, quality = 0.93: HG2 LYS 41 + HB3 ASP 71 OK 86 90 - 95 - 3.0/6272=30, ~6263=25...(21) HG13 ILE 51 + HB3 ASP 71 OK 34 83 - 41 - 4.0/6248=13, 2.1/6273=8...(9) HG2 LYS 61 + HB3 ASP 71 OK 24 99 - 24 - 3.0/6269=4, ~6265=3...(10) HG3 LYS 61 - HB3 ASP 71 OK 24 99 - 24 - 3.0/6269=4, ~6265=3...(10) HG3 LYS 45 - HB3 ASP 71 OK 22 97 - 23 - 6262/3.0=3, 1.8/7120=3...(11) QB ALA 78 - HB3 ASP 71 OK 20 92 - 22 - 3.7/6245=6, 6433/4.5=3...(8) HG3 LYS 94 - HB3 ASP 71 OK 14 63 - 22 - 2.9/6269=4, 1.8/7120=4...(8) HD3 LYS 86 - HB3 ASP 71 OK 10 99 - 10 - 3.0/7120=2, ~7119=1 HB3 LEU 53 - HB3 ASP 71 lone 6 71 - 8 - 3.0/7120=2, ~7119=1, 6262/3.0=1 HG2 LYS 63 - HB3 ASP 71 lone 4 83 - 5 - HG3 LYS 63 - HB3 ASP 71 lone 4 83 - 5 - Peak 7122 from cnoeabs.peaks (2.81, 2.10, 28.21 ppm; 5.50 A): 3 out of 4 assignments used, quality = 0.99: HB2 ASP 72 + HG2 PRO 74 OK 97 100 - 97 - 6289/2.3=35, 6288/2.3=35...(13) HB2 PHE 17 + HG2 PRO 74 OK 66 100 - 67 - 1.8/7123=14, 6334/2.3=13...(13) HB2 TYR 54 + HG2 PRO 74 OK 50 97 - 52 - 6334/2.3=9, 5842/2.3=8...(11) HB3 TYR 33 - HG2 PRO 74 lone 8 100 - 8 - 6334/2.3=2, ~4670=1, 6336/2.3=1 Peak 7123 from cnoeabs.peaks (2.72, 2.10, 28.21 ppm; 5.68 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 72 + HG2 PRO 74 OK 97 100 - 97 - 6294/2.3=37, 6295/2.3=36...(13) HB3 PHE 17 + HG2 PRO 74 OK 66 99 - 67 - 6335/2.3=14, 1.8/7122=13...(12) HB3 ASN 13 - HG2 PRO 74 OK 12 100 - 12 - 6335/2.3=5, 6337/2.3=4 HB2 ASP 81 - HG2 PRO 74 lone 7 100 - 7 - 6551/6445=2, 6335/2.3=1 HB3 ASN 24 - HG2 PRO 74 lone 4 100 - 4 - Peak 7124 from cnoeabs.peaks (7.15, 1.98, 32.15 ppm; 3.78 A): 2 out of 10 assignments used, quality = 0.97: QE PHE 97 + HB2 LYS 77 OK 83 95 - 88 - 4761/1.8=20, 4762=16...(27) HZ PHE 97 + HB2 LYS 77 OK 82 100 - 82 - 4757/1.8=21, 4769=15...(20) QD TYR 54 - HB2 LYS 77 OK 36 83 - 44 - 4703=8, 6412/1.8=6...(12) H GLU 65 - HB VAL 25 OK 11 83 - 13 - 3.6/5985=6, 6003/2.1=3 H GLU 65 - HB2 LYS 77 lone 9 99 - 9 - 3.6/5985=1, 7211/3.0=1 QD TYR 54 - HB VAL 25 poor 8 66 - 13 - ~1544=3, 2.2/1539=3...(4) QE PHE 97 - HB VAL 25 poor 8 78 - 11 - ~4764=2, 4762=2, 4798/2.1=1 HZ PHE 97 - HB VAL 25 lone 6 86 - 7 - 2.2/4762=1, 4798/2.1=1 HH2 TRP 82 - HB2 LYS 77 lone 5 87 - 6 - ~6404=2, ~6403=1 HH2 TRP 82 - HB VAL 25 lone 0 69 - 1 - Peak 7125 from cnoeabs.peaks (4.31, 0.84, 16.66 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.86: HA ASP 81 + QG2 ILE 80 OK 65 100 - 66 - 3.0/4324=16, ~367=10...(17) HA ASP 32 + QG2 ILE 80 OK 41 98 - 42 - 3.0/6518=7, 5122=6...(14) HA PHE 34 + QG2 ILE 80 OK 29 81 - 35 - 3.0/6518=8, 3.0/3367=6...(11) HB THR 59 - QG2 ILE 80 lone 2 96 - 2 - Peak 7126 from cnoeabs.peaks (4.70, 0.84, 16.66 ppm; 3.99 A): 4 out of 5 assignments used, quality = 0.84: HA SER 96 + QG2 ILE 80 OK 74 100 - 75 - 6955/3.0=22, ~6945=10...(16) HA LEU 53 + QG2 ILE 80 OK 24 100 - 24 - 6530/3.0=5, 6521/3.2=3...(9) HA THR 26 + QG2 ILE 80 OK 10 90 - 11 - 6530/3.0=2, 6521/3.2=2...(4) HA GLU 87 + QG2 ILE 80 OK 10 100 - 10 - 6530/3.0=4, 6521/3.2=2 HB THR 26 - QG2 ILE 80 lone 9 87 - 10 - 6530/3.0=2, 6522/3.2=2 Peak 7127 from cnoeabs.peaks (3.51, 1.50, 25.90 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.76: HB3 PHE 83 + HG2 LYS 86 OK 72 76 - 95 - 2.4/6674=31, 3.0/6663=25...(17) HA ILE 27 + HG2 LYS 86 OK 16 99 - 16 - 6668/4.7=5, 3.6/4988=3...(5) HB2 ASN 14 - HG2 LYS 86 poor 10 92 - 10 - 6668/4.7=4, 4528/2.8=3, ~4532=1 Peak 7128 from cnoeabs.peaks (3.48, 2.28, 32.16 ppm; 5.57 A): 1 out of 8 assignments used, quality = 0.96: HB3 PHE 83 + HB3 LYS 86 OK 96 100 - 96 - 2.4/4734=27, 3.0/6662=20...(19) HB3 PHE 83 - HG2 MET 50 OK 13 89 - 14 - 2.4/4734=4, ~4735=2...(6) HB2 ASN 14 - HB3 LYS 86 OK 12 99 - 12 - 6668/4.0=3, 4528=2, 7127/2.8=2 HA ILE 27 - HB3 LYS 86 OK 11 57 - 18 - 3.6/5701=6, 6668/4.0=4...(5) HA ILE 27 - HG2 MET 50 OK 11 45 - 23 - ~4970=13, 3.6/5701=6, 1570/2.9=2 HD3 PRO 74 - HG2 MET 50 lone 7 81 - 9 - ~7092=2, ~3151=1, 2.5/7091=1 HD3 PRO 74 - HB3 LYS 86 lone 4 96 - 4 - 6838/6841=1 HB2 ASN 14 - HG2 MET 50 lone 4 85 - 4 - 4536/3.8=1 Peak 7129 from cnoeabs.peaks (5.84, 6.95, 130.60 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.94: QD TYR 33 + QE PHE 88 OK 90 96 - 94 - 6701/2.2=47, 2.5/4745=33...(19) QD TYR 33 + QE PHE 70 OK 34 69 - 49 - 2.5/6702=9, 2.5/5142=8...(12) Peak 7130 from cnoeabs.peaks (8.63, 1.52, 24.52 ppm; 4.94 A): 4 out of 6 assignments used, quality = 0.76: H GLY 85 + HG2 LYS 94 OK 50 69 - 73 - 6640/4.9=28, 6870/4.0=27...(11) H GLY 85 + HG13 ILE 93 OK 35 99 - 36 - 4.5/6810=7, 6648=6...(11) H GLY 47 + HG2 LYS 94 OK 15 63 - 24 - 6925/4.9=6, 5580/2.9=6...(5) H GLY 47 + HG13 ILE 93 OK 13 93 - 13 - 5580/3.0=4, ~6837=2...(4) H GLY 85 - HG3 LYS 41 poor 9 77 - 11 - 4.5/6810=2, 6648=2...(4) H GLY 47 - HG3 LYS 41 lone 4 70 - 6 - 4.7/201=2 Peak 7131 from cnoeabs.peaks (7.26, 4.14, 62.48 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.75: HD22 ASN 13 + HA THR 99 OK 75 100 - 75 - 4513=27, 1.7/7132=26...(9) Peak 7132 from cnoeabs.peaks (7.01, 4.14, 62.48 ppm; 5.16 A): 2 out of 8 assignments used, quality = 0.80: HD21 ASN 13 + HA THR 99 OK 78 100 - 78 - 1.7/7131=42, 4514=25...(8) QE PHE 17 + HA THR 99 OK 12 100 - 12 - 7024/3.2=4, 6991/7030=3...(5) HZ PHE 17 - HA THR 99 poor 9 85 - 10 - 6991/7030=3, ~7024=2...(4) HD21 ASN 24 - HA THR 99 lone 5 83 - 6 - 3.5/4871=2, 7024/3.2=1, ~7020=1 HE22 GLN 19 - HA THR 99 lone 5 99 - 5 - 7024/3.2=3 HD22 ASN 91 - HA THR 99 lone 5 89 - 6 - 6768=1, 1.7/6774=1 HZ3 TRP 82 - HA THR 99 lone 4 78 - 5 - HD21 ASN 52 - HA THR 99 lone 1 60 - 2 - Peak 7134 from cnoeabs.peaks (1.60, 4.90, 52.97 ppm; 3.00 A): 1 out of 5 assignments used, quality = 0.57: QB ALA 76 + HA ASN 14 OK 57 100 - 58 - 6378=24, 2.9/6373=9...(12) HD2 LYS 63 - HA ASN 14 lone 10 100 - 9 - 4539/3.0=2, 4531/3.0=2...(4) HD2 LYS 41 - HA ASN 14 poor 10 63 - 15 - 4531/3.0=2, 4534/3.0=2...(8) HD3 LYS 41 - HA ASN 14 poor 10 63 - 15 - 4531/3.0=2, 4534/3.0=2...(8) HG3 LYS 77 - HA ASN 14 lone 2 60 - 3 - 6305/6309=1 Peak 7135 from cnoeabs.peaks (4.40, 4.90, 52.97 ppm; 3.61 A): 3 out of 8 assignments used, quality = 0.84: HA PRO 73 + HA ASN 14 OK 72 100 - 72 - 6309=48, 6306/3.0=15...(8) HA PRO 74 + HA ASN 14 OK 34 99 - 35 - 4.5/6309=17, 4451/6373=4...(7) HA ASP 71 + HA ASN 14 OK 12 90 - 14 - 3.0/4041=4, 4537/3.0=3...(6) HA SER 29 - HA ASN 14 lone 4 96 - 4 - HB THR 46 - HA ASN 14 lone 3 100 - 3 - HA THR 42 - HA ASN 14 lone 2 90 - 3 - HA ALA 98 - HA ASN 14 lone 2 71 - 2 - ~7167=1 HA MET 50 - HA ASN 14 lone 1 60 - 2 - Peak 7136 from cnoeabs.peaks (5.20, 4.77, 60.47 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.94: HA ILE 16 + HA PHE 97 OK 90 96 - 94 - 3.6/7137=45, 6996/3.6=40...(10) HA LYS 94 + HA PHE 97 OK 40 99 - 40 - 6956/2.9=16, 6862/3.0=12...(6) Peak 7137 from cnoeabs.peaks (9.56, 4.77, 60.47 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.49: H PHE 17 + HA PHE 97 OK 49 71 - 69 - 6983/3.6=29, 3.6/4615=24...(6) Peak 7138 from cnoeabs.peaks (5.51, 4.76, 53.70 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.81: HA GLU 65 + HA GLN 19 OK 79 100 - 79 - 6005=29, 4764/3.6=22...(11) HA THR 15 + HA GLN 19 OK 11 60 - 19 - 4764/3.6=5, 4.9/4615=5...(5) Peak 7139 from cnoeabs.peaks (8.93, 4.96, 59.55 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.98: H VAL 18 + HA VAL 18 OK 98 98 - 100 - 3.0=100 Peak 7140 from cnoeabs.peaks (9.37, 4.96, 60.90 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: H VAL 95 + HA VAL 95 OK 100 100 - 100 - 3.0=100 Peak 7142 from cnoeabs.peaks (3.79, 4.82, 58.05 ppm; 5.19 A): 1 out of 7 assignments used, quality = 0.97: HA ILE 40 + HA PHE 70 OK 97 100 - 97 - 5410=39, 3.6/5469=35...(15) HA LYS 77 - HA PHE 70 OK 14 100 - 15 - 4859/3.7=7, 6253/3.6=4 HD2 PRO 92 - HA PHE 70 OK 11 100 - 10 - 6253/3.6=6, 4859/3.7=2 HA2 GLY 22 - HA PHE 70 poor 9 83 - 11 - 4842/3.7=4, 4831/5416=2...(4) HA SER 89 - HA PHE 70 lone 7 100 - 7 - 6253/3.6=2, 4859/3.7=2 HA2 GLY 60 - HA PHE 70 lone 4 60 - 6 - ~5928=2 HB3 SER 11 - HA PHE 70 lone 3 99 - 3 - Peak 7143 from cnoeabs.peaks (4.59, 4.38, 60.77 ppm; 3.98 A): 3 out of 6 assignments used, quality = 0.86: HA PRO 49 + HA THR 42 OK 79 100 - 79 - 5631=32, 5502/3.2=26...(11) HA ASP 12 + HA THR 42 OK 25 93 - 27 - 5502/3.2=7, 5521/3.6=7...(5) HA PRO 49 + HA SER 29 OK 11 92 - 12 - 5631=4, 3.6/7052=3 HA ASP 12 - HA SER 29 lone 4 82 - 4 - 3.0/4420=1 HA ASN 13 - HA THR 42 lone 3 63 - 5 - 4558/3.0=1, 5521/3.6=1 HA ASN 13 - HA SER 29 lone 1 52 - 1 - Peak 7144 from cnoeabs.peaks (3.69, 3.99, 57.96 ppm; 5.11 A): 2 out of 5 assignments used, quality = 0.61: HA2 GLY 47 + HA LYS 44 OK 54 93 - 58 - 3.0/5544=33, 7145=28...(5) HD3 PRO 49 + HA LYS 44 OK 16 83 - 19 - 2.3/7090=8, 2.3/7089=6...(4) HB2 SER 69 - HA LYS 44 lone 4 96 - 4 - 6189/3.7=1 HA LEU 21 - HA LYS 44 lone 3 100 - 3 - HD2 PRO 74 - HA LYS 44 lone 3 100 - 3 - Peak 7145 from cnoeabs.peaks (4.00, 3.67, 45.62 ppm; 5.09 A): 2 out of 7 assignments used, quality = 0.63: HA LYS 44 + HA2 GLY 47 OK 59 100 - 60 - 5544/3.0=33, 7144=30...(5) HA SER 75 + HA2 GLY 47 OK 10 76 - 13 - 5574/3.0=4, 2.9/340=3...(4) HA GLU 28 - HA2 GLY 47 poor 10 92 - 11 - 5574/3.0=4, 5498/5582=3 HB2 SER 29 - HA2 GLY 47 lone 7 97 - 7 - 5574/3.0=3, 5498/5582=1 HB3 SER 89 - HA2 GLY 47 lone 4 100 - 4 - 5574/3.0=2 HA ARG 57 - HA2 GLY 47 lone 2 71 - 3 - 5574/3.0=1 HB3 SER 96 - HA2 GLY 47 lone 2 57 - 4 - 5498/5582=1 Peak 7147 from cnoeabs.peaks (7.68, 4.80, 58.94 ppm; 5.77 A): 1 out of 2 assignments used, quality = 0.84: H SER 69 + HA ILE 51 OK 84 100 - 85 - 6182/4.0=30, 3.6/7115=27...(10) H GLN 48 - HA ILE 51 poor 7 68 - 10 - 5610/4.2=5, 4283/7116=1 Peak 7148 from cnoeabs.peaks (4.24, 4.80, 58.94 ppm; 5.06 A): 1 out of 8 assignments used, quality = 0.97: HA VAL 68 + HA ILE 51 OK 97 100 - 97 - 6118/3.2=31, 7115=28...(19) HA3 GLY 64 - HA ILE 51 OK 40 100 - 40 - 5717/3.2=9, 5722/4.2=8...(9) HA LYS 63 - HA ILE 51 OK 21 65 - 32 - 3.0/7053=13, 4.2/7102=4...(12) HA ILE 37 - HA ILE 51 OK 14 87 - 16 - 5717/3.2=3, 5722/4.2=3...(6) HA LYS 45 - HA ILE 51 lone 9 100 - 9 - 5722/4.2=2, 5717/3.2=2...(4) HA GLU 58 - HA ILE 51 lone 7 81 - 9 - 5770/3.6=2, ~5706=2...(4) HA3 GLY 85 - HA ILE 51 lone 7 85 - 8 - 5717/3.2=2, 5770/3.6=1...(5) HA ALA 79 - HA ILE 51 lone 7 73 - 9 - ~5734=2, 5770/3.6=1...(4) Peak 7149 from cnoeabs.peaks (8.44, 4.70, 52.77 ppm; 5.22 A): 4 out of 9 assignments used, quality = 0.82: H THR 67 + HA LEU 53 OK 72 89 - 81 - 3.6/7150=44, 6104/4.0=30...(6) H ILE 93 + HA LEU 53 OK 22 96 - 23 - 7206=7, 5780/4.0=5...(6) H GLY 60 + HA LEU 53 OK 11 97 - 11 - 5927/3.0=5, 5780/4.0=2 H LEU 21 + HA LEU 53 OK 10 73 - 14 - 5780/4.0=7, 7206=2, 1029/4.0=1 H ASP 71 - HA LEU 53 lone 8 99 - 8 - 5780/4.0=2, 6256/4.3=1, ~6262=1 H THR 15 - HA LEU 53 lone 6 97 - 6 - 5780/4.0=2 H GLY 90 - HA LEU 53 lone 4 97 - 4 - 4.6/6764=1 H ALA 98 - HA LEU 53 lone 3 57 - 6 - 4.6/453=2 H THR 42 - HA LEU 53 lone 3 65 - 4 - Peak 7150 from cnoeabs.peaks (5.58, 4.70, 52.77 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.67: HA ALA 66 + HA LEU 53 OK 67 97 - 69 - 6037=25, 5845/3.6=16...(10) Peak 7151 from cnoeabs.peaks (4.36, 4.80, 60.40 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.97: HA LEU 62 + HA THR 55 OK 87 100 - 88 - ~5853=31, 3.6/7053=31...(8) HA LYS 61 + HA THR 55 OK 80 97 - 83 - 7196/3.2=25, ~5945=22...(13) HA THR 42 - HA THR 55 OK 11 89 - 12 - ~5497=3, 5861/3.0=2...(5) HA TRP 82 - HA THR 55 lone 10 100 - 10 - ~5863=2, 5861/3.0=2...(4) HA ALA 98 - HA THR 55 lone 8 99 - 8 - 5883/3.6=2, 5861/3.0=1 HA SER 11 - HA THR 55 lone 6 100 - 6 - 5861/3.0=1 HA SER 29 - HA THR 55 lone 5 81 - 6 - HB THR 46 - HA THR 55 lone 2 60 - 3 - Peak 7152 from cnoeabs.peaks (7.98, 0.82, 22.47 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.54: H VAL 30 + QG1 VAL 30 OK 54 54 - 100 - 3.9=100 Peak 7153 from cnoeabs.peaks (7.99, 1.99, 32.18 ppm; 4.93 A): 5 out of 10 assignments used, quality = 0.95: H GLY 22 + HB VAL 25 OK 70 99 - 70 - 4880/2.1=15, 4827=13...(15) H VAL 30 + HB VAL 25 OK 47 85 - 56 - 5055/4.4=16, ~4905=9...(15) H LYS 63 + HB VAL 25 OK 36 99 - 37 - 4880/2.1=10, ~4906=6...(8) H PHE 34 + HB VAL 25 OK 35 100 - 35 - 4880/2.1=9, 5181/4.0=8...(10) H LYS 63 + HB2 LYS 77 OK 29 85 - 34 - 3.9/7101=10, 3.9/7208=7...(8) H GLY 22 - HB2 LYS 77 OK 19 85 - 22 - 4827=4, 4.6/4897=2...(10) H LYS 86 - HB VAL 25 OK 13 83 - 16 - 6658/2.1=7, 6658/2.1=2 H VAL 30 - HB2 LYS 77 poor 9 67 - 13 - 4.6/5028=2, 5038/4907=2...(5) H PHE 34 - HB2 LYS 77 lone 7 86 - 8 - H LYS 86 - HB2 LYS 77 lone 3 66 - 5 - Peak 7154 from cnoeabs.peaks (3.74, 0.82, 22.47 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.61: HA VAL 30 + QG1 VAL 30 OK 61 61 - 100 - 3.2=100 Peak 7155 from cnoeabs.peaks (7.54, 4.33, 61.55 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.77: H TYR 33 + HA PHE 34 OK 59 99 - 60 - 116/3.0=22, 4.5/5184=17...(9) QD PHE 83 + HA PHE 34 OK 43 81 - 54 - 3.8/4804=14, 2.2/5172=13...(12) Peak 7157 from cnoeabs.peaks (4.30, 3.02, 42.02 ppm; 3.30 A): 4 out of 30 assignments used, quality = 0.94: HA ASP 32 + HE3 LYS 35 OK 59 100 - 59 - 5239/3.0=10, 5240/3.0=10...(17) HA ASP 32 + HE2 LYS 35 OK 59 100 - 59 - 5239/3.0=10, 5240/3.0=10...(17) HA ASP 81 + HE3 LYS 35 OK 38 98 - 39 - 5239/3.0=7, 5240/3.0=7...(11) HA ASP 81 + HE2 LYS 35 OK 38 98 - 39 - 5239/3.0=7, 5240/3.0=7...(11) HB THR 59 - HE2 LYS 35 OK 20 85 - 24 - 5240/3.0=4, 5239/3.0=3...(11) HB THR 59 - HE3 LYS 35 OK 20 85 - 24 - 5240/3.0=4, 5239/3.0=3...(11) HB THR 59 - HE2 LYS 61 OK 19 72 - 27 - 5913/1.8=5, 5911/3.9=5...(9) HB THR 59 - HE3 LYS 61 OK 17 62 - 28 - 5911/3.9=5, 5911/3.9=5...(9) HA ASP 32 - HE3 LYS 44 lone 9 94 - 9 - 5134=1, 5134/1.8=1 HA ASP 32 - HE2 LYS 44 lone 9 94 - 9 - 5134=1, 5134/1.8=1 HA ASP 32 - HE2 LYS 61 lone 6 91 - 7 - 5134=1 HA PHE 34 - HE2 LYS 35 lone 6 63 - 9 - 3.5/732=4, ~5190=3, 5240/3.0=2 HA PHE 34 - HE3 LYS 35 lone 6 63 - 9 - 3.5/732=4, ~5190=3, 5240/3.0=2 HA ASP 32 - HE3 LYS 61 lone 5 80 - 6 - HB THR 59 - HE3 LYS 44 lone 4 76 - 5 - HB THR 59 - HE2 LYS 44 lone 4 76 - 5 - HA ASP 81 - HE2 LYS 61 lone 3 87 - 3 - HA ASP 81 - HE3 LYS 44 lone 3 91 - 3 - HA ASP 81 - HE2 LYS 44 lone 3 90 - 3 - HA ASP 81 - HE3 LYS 61 lone 3 76 - 3 - HD2 PRO 73 - HE2 LYS 35 lone 2 57 - 3 - HD2 PRO 73 - HE3 LYS 35 lone 2 57 - 3 - HA PHE 34 - HE3 LYS 44 lone 1 55 - 2 - 3.5/732=1 HA PHE 34 - HE2 LYS 44 lone 1 55 - 2 - 3.5/732=1 HA PHE 34 - HE2 LYS 61 lone 1 52 - 2 - 3.5/732=1 HA PHE 34 - HE3 LYS 61 lone 1 43 - 2 - HD2 PRO 73 - HE3 LYS 44 lone 0 50 - 1 - HD2 PRO 73 - HE2 LYS 61 lone 0 47 - 1 - HD2 PRO 73 - HE2 LYS 44 lone 0 50 - 1 - HD2 PRO 73 - HE3 LYS 61 lone 0 39 - 1 - Peak 7158 from cnoeabs.peaks (1.39, 0.35, 11.68 ppm; 2.82 A): 2 out of 7 assignments used, quality = 0.62: QB ALA 78 + QD1 ILE 37 OK 57 100 - 57 - 6456=21, 6454/2.1=10...(15) HG2 LYS 41 + QD1 ILE 37 OK 11 100 - 10 - 3.8/5277=2, 4.0/5274=2 HB3 LEU 53 - QD1 ILE 37 lone 7 100 - 7 - 7159/3.3=2 HG2 LYS 61 - QD1 ILE 37 lone 5 65 - 8 - 7159/3.3=2, 3.0/5272=1 HG3 LYS 61 - QD1 ILE 37 lone 5 63 - 8 - 7159/3.3=1, 3.0/5272=1 HG3 LYS 45 - QD1 ILE 37 lone 4 98 - 4 - HD3 LYS 86 - QD1 ILE 37 lone 2 63 - 3 - Peak 7159 from cnoeabs.peaks (1.40, 0.85, 19.06 ppm; 2.88 A): 3 out of 14 assignments used, quality = 0.63: QB ALA 78 + QG2 ILE 37 OK 54 100 - 54 - 6455=13, 7158/3.3=13...(12) HG2 LYS 41 + QG2 ILE 37 OK 10 100 - 10 - 3.8/5286=2, 7158/3.3=2 HB3 LEU 53 + QG2 ILE 37 OK 10 97 - 10 - 5819=2, 7158/3.3=2...(4) QB ALA 78 - QG2 ILE 16 poor 10 56 - 17 - 6455=3, 3.7/5318=3...(6) HG2 LYS 61 - QG2 ILE 37 poor 9 81 - 12 - 3.9/5286=2, 3.0/5269=1...(4) HG3 LYS 61 - QG2 ILE 37 poor 9 78 - 12 - 3.9/5286=2, 3.0/5269=1...(4) HB3 LEU 53 - QG2 ILE 16 poor 6 51 - 11 - 5819=2, 1.8/5817=1...(6) HG3 LYS 45 - QG2 ILE 37 lone 3 100 - 3 - HG2 LYS 41 - QG2 ILE 16 lone 3 56 - 5 - HD3 LYS 86 - QG2 ILE 37 lone 2 78 - 3 - HG2 LYS 61 - QG2 ILE 16 lone 1 39 - 2 - HG3 LYS 61 - QG2 ILE 16 lone 1 37 - 2 - HG3 LYS 45 - QG2 ILE 16 lone 1 56 - 1 - HD3 LYS 86 - QG2 ILE 16 lone 0 37 - 1 - Peak 7160 from cnoeabs.peaks (6.83, 1.85, 40.08 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.87: HZ PHE 70 + HB ILE 37 OK 64 96 - 68 - 5308/3.2=25, 5301/2.1=21...(16) HZ PHE 70 + HB ILE 16 OK 48 56 - 86 - 4779/3.2=39, ~4720=15...(21) H VAL 25 + HB ILE 37 OK 18 99 - 18 - 5308/3.2=6, 5301/2.1=5...(4) H VAL 25 + HB ILE 16 OK 13 60 - 21 - 4623/2.1=5, 4891/3.0=4...(6) QE TYR 54 - HB ILE 37 poor 10 95 - 10 - 5308/3.2=3, 5301/2.1=3 QE TYR 54 - HB ILE 16 poor 8 55 - 15 - 4623/2.1=4, 4632/3.2=3...(4) Peak 7161 from cnoeabs.peaks (1.68, 1.86, 39.62 ppm; 4.09 A): 6 out of 40 assignments used, quality = 0.94: QB ALA 79 + HB ILE 16 OK 74 99 - 75 - 6493/3.2=25, 6472=16...(17) QB ALA 79 + HB ILE 37 OK 54 60 - 91 - 6491/3.2=20, 6472=19...(24) HD3 LYS 61 + HB ILE 37 OK 16 62 - 26 - 5269/2.1=3, ~5286=3...(12) HD2 LYS 61 + HB ILE 37 OK 16 62 - 26 - 5269/2.1=3, ~5286=3...(12) HB ILE 40 + HB ILE 16 OK 16 99 - 16 - ~5432=3, 4602/3.2=2...(7) HG12 ILE 27 + HB ILE 16 OK 15 87 - 17 - 4096/4.0=3, ~4579=2...(7) HB2 MET 50 - HB ILE 16 poor 10 68 - 15 - 5663/2.1=2, 5662/3.0=2...(8) HB ILE 40 - HB ILE 37 poor 9 61 - 14 - 5336/4.4=2, ~5432=2...(6) HD2 LYS 94 - HB ILE 16 lone 8 100 - 8 - ~3875=1 HD3 LYS 94 - HB ILE 16 lone 8 100 - 8 - ~3875=1 HD2 LYS 44 - HB ILE 37 poor 7 62 - 11 - 5336/4.4=1, 5269/2.1=1 HD3 LYS 44 - HB ILE 37 poor 7 61 - 11 - 5336/4.4=1, 5269/2.1=1 HD2 LYS 44 - HB ILE 16 lone 7 100 - 7 - HD3 LYS 63 - HB ILE 16 lone 7 100 - 6 - ~4589=2, ~4603=1 HD3 LYS 44 - HB ILE 16 lone 7 99 - 6 - HD3 LYS 94 - HB ILE 37 lone 6 63 - 10 - 5270/3.0=1, 5269/2.1=1 HD2 LYS 94 - HB ILE 37 lone 6 63 - 10 - 5270/3.0=1, 5269/2.1=1 HG12 ILE 39 - HB ILE 16 lone 6 90 - 7 - 4.6/4642=2 HB2 MET 50 - HB ILE 37 poor 6 36 - 17 - 5662/3.0=3, ~5665=3...(9) HB3 LYS 61 - HB ILE 37 poor 6 48 - 12 - ~7159=2, 5269/2.1=2...(5) HG12 ILE 39 - HB ILE 37 poor 6 51 - 11 - 5336/4.4=4, 4.6/4642=2 HD3 LYS 35 - HB ILE 37 lone 6 59 - 10 - 5266/3.9=3, 5336/4.4=2 HD2 LYS 61 - HB ILE 16 lone 5 100 - 5 - HD3 LYS 61 - HB ILE 16 lone 5 100 - 5 - HG3 ARG 57 - HB ILE 37 lone 5 62 - 8 - 5272/3.2=1, 5269/2.1=1 HG2 ARG 57 - HB ILE 37 lone 5 61 - 8 - 5269/2.1=1 HD2 LYS 77 - HB ILE 37 poor 4 36 - 12 - 4.6/3257=2, ~5286=2...(5) HD2 LYS 77 - HB ILE 16 lone 4 68 - 6 - 4.6/3257=2, 3.7/3267=1 HG12 ILE 27 - HB ILE 37 lone 4 48 - 7 - HD3 LYS 63 - HB ILE 37 lone 3 62 - 5 - HB3 LYS 61 - HB ILE 16 lone 3 87 - 4 - HG3 GLN 19 - HB ILE 16 lone 3 60 - 5 - ~4742=3 HD3 LYS 35 - HB ILE 16 lone 2 98 - 2 - HG3 ARG 57 - HB ILE 16 lone 2 100 - 2 - HG2 ARG 57 - HB ILE 16 lone 2 99 - 2 - HD3 LYS 45 - HB ILE 37 lone 2 37 - 4 - HD2 LYS 45 - HB ILE 37 lone 2 34 - 4 - HD3 LYS 45 - HB ILE 16 lone 1 71 - 1 - HD2 LYS 45 - HB ILE 16 lone 1 65 - 1 - HG3 GLN 19 - HB ILE 37 lone 1 31 - 3 - Peak 7162 from cnoeabs.peaks (0.89, 0.75, 13.50 ppm; 3.02 A): 3 out of 5 assignments used, quality = 0.65: QD1 ILE 51 + QD1 ILE 40 OK 38 95 - 40 - 5761/5455=9, 5723/5089=6...(15) QG2 ILE 39 + QD1 ILE 40 OK 38 100 - 38 - 3.8/765=11, 5366/4.2=6...(13) QG1 VAL 18 + QD1 ILE 40 OK 10 92 - 11 - 4.1/2039=1, 4061/4.7=1...(4) QD1 ILE 39 - QD1 ILE 40 poor 10 63 - 16 - 4.1/5427=3, 2.1/2041=3...(6) QG2 THR 42 - QD1 ILE 40 lone 9 97 - 9 - 5495/5623=2, 5492/5091=1...(4) Peak 7163 from cnoeabs.peaks (7.02, 5.26, 126.58 ppm; 4.55 A): 2 out of 7 assignments used, quality = 0.62: HZ3 TRP 82 + HD1 TRP 82 OK 55 81 - 68 - 6.6=32, ~596=20...(6) HD21 ASN 13 + HD1 TRP 82 OK 16 100 - 16 - 4507/5.0=4, 3.5/4580=3...(7) QE PHE 17 - HD1 TRP 82 lone 9 100 - 9 - 6560/4.5=3, 6566/2.6=2 HE22 GLN 19 - HD1 TRP 82 lone 8 99 - 7 - 6560/4.5=2, 6559/3.9=2 HD21 ASN 24 - HD1 TRP 82 lone 3 81 - 4 - HZ PHE 17 - HD1 TRP 82 lone 3 87 - 3 - ~6566=1 HD22 ASN 91 - HD1 TRP 82 lone 1 90 - 2 - Peak 7164 from cnoeabs.peaks (1.53, 4.46, 58.26 ppm; 4.50 A): 7 out of 10 assignments used, quality = 0.94: HB3 LYS 94 + HA ASP 84 OK 57 97 - 59 - 4.6/6619=27, 3.0/6626=27...(6) HD2 LYS 86 + HA ASP 84 OK 46 90 - 52 - 5.7/6622=14, 3603=10...(9) HG2 LYS 94 + HA ASP 84 OK 43 83 - 52 - 4.9/6619=26, 4.0/6626=22...(5) HG13 ILE 93 + HA ASP 84 OK 24 100 - 24 - 7130/3.6=7, 6899/6635=4...(7) HB3 LEU 62 + HA ASP 84 OK 21 100 - 21 - 3.1/6636=4, 4.4/6622=3...(8) HG2 LYS 45 + HA ASP 84 OK 17 97 - 18 - 3.0/6629=4, 3.0/6629=4...(7) HB3 LYS 63 + HA ASP 84 OK 10 100 - 10 - 3.9/6622=3, 6648/3.6=2...(4) HG3 LYS 41 - HA ASP 84 lone 5 87 - 5 - 7130/3.6=2 HG LEU 53 - HA ASP 84 lone 4 65 - 6 - 6899/6635=1, ~5782=1 HG3 LYS 44 - HA ASP 84 lone 1 63 - 2 - Peak 7165 from cnoeabs.peaks (3.88, 4.46, 58.26 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.86: HA2 GLY 85 + HA ASP 84 OK 83 100 - 83 - 3.0/4345=39, 6642=28...(10) HA ALA 31 + HA ASP 84 OK 10 97 - 10 - 4434/3.0=2, ~5077=2...(6) HD3 PRO 73 + HA ASP 84 OK 10 100 - 10 - 2.3/6629=3, ~6630=1...(5) HB3 SER 75 - HA ASP 84 lone 3 100 - 3 - 6359/3.0=1 Peak 7166 from cnoeabs.peaks (4.65, 1.80, 36.11 ppm; 4.39 A): 0 out of 4 assignments used, low quality = 0.45: HA PRO 92 - HG2 GLU 87 OK 45 100 - 45 - 3.6/6684=23, 4.8/6691=18...(4) HA PHE 83 - HG2 GLU 87 lone 5 100 - 5 - 3.0/6696=2 HA GLN 48 - HG2 GLU 87 lone 3 93 - 3 - 3.0/805=1 HB THR 26 - HG2 GLU 87 lone 1 60 - 2 - Peak 7175 from cnoeabs.peaks (7.07, 1.22, 26.04 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.89: QD PHE 70 + HG13 ILE 16 OK 89 93 - 95 - 4634/2.1=44, 4614/4.6=28...(27) HZ3 TRP 82 - HG13 ILE 16 lone 5 63 - 7 - 4634/2.1=2, 4625/3.2=2 Peak 7176 from cnoeabs.peaks (2.20, 2.11, 33.99 ppm; 4.33 A): 3 out of 8 assignments used, quality = 0.66: HG2 GLU 65 + HB2 GLN 19 OK 46 100 - 47 - 3.9/4739=18, 6689/2.9=10...(8) HG3 GLU 87 + HB2 GLN 19 OK 26 100 - 26 - 6689/2.9=5, 7177/1.8=5...(7) HB VAL 30 + HB2 GLN 19 OK 15 100 - 15 - 5072/4.6=6, 4108/4.0=4...(4) HB2 PRO 49 - HB2 GLN 19 lone 6 76 - 7 - 7177/1.8=2, 1.8/4732=2...(4) HB3 PRO 92 - HB2 GLN 19 lone 2 63 - 3 - 5072/4.6=2 HB3 GLN 48 - HB2 GLN 19 lone 2 100 - 2 - HB2 PHE 88 - HB2 GLN 19 lone 2 83 - 2 - HG3 PRO 92 - HB2 GLN 19 lone 1 73 - 1 - Peak 7177 from cnoeabs.peaks (2.22, 1.76, 33.99 ppm; 5.59 A): 0 out of 5 assignments used, low quality = 0.20: HG3 GLU 87 - HB3 GLN 19 OK 20 65 - 30 - 3.0/4733=6, 7176/1.8=5...(7) HB2 PRO 49 - HB3 GLN 19 lone 9 100 - 8 - 1.8/4733=2, ~4734=2...(4) HG2 GLU 58 - HB3 GLN 19 lone 3 95 - 3 - HG3 GLU 23 - HB3 GLN 19 lone 2 63 - 4 - HB3 GLN 48 - HB3 GLN 19 lone 1 60 - 2 - Peak 7178 from cnoeabs.peaks (0.94, 1.46, 17.52 ppm; 3.22 A): 3 out of 4 assignments used, quality = 0.86: QG2 ILE 27 + QB ALA 31 OK 63 99 - 64 - 3.2/5081=13, 4966=12...(19) QD1 ILE 27 + QB ALA 31 OK 53 96 - 56 - 4978=12, 4.2/5081=11...(15) QD1 ILE 39 + QB ALA 31 OK 22 76 - 29 - 4155/2.9=4, ~4154=3...(10) QB ALA 66 - QB ALA 31 poor 7 73 - 10 - 5083/2.9=2, 6039/5081=2 Peak 7179 from cnoeabs.peaks (6.86, 2.82, 39.80 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.82: QE PHE 34 + HB3 TYR 33 OK 80 83 - 96 - 2.2/4794=45, 4815/2.5=35...(17) H VAL 25 + HB3 TYR 33 OK 12 89 - 13 - 5181/4.3=8, 3.9/5170=2 QE TYR 54 - HB3 TYR 33 poor 10 97 - 10 - 5181/4.3=4, 4656/2.5=1 Peak 7180 from cnoeabs.peaks (4.32, 2.42, 33.99 ppm; 5.45 A): 4 out of 5 assignments used, quality = 0.71: HA PHE 34 + HG2 GLN 36 OK 41 98 - 42 - 3.5/5261=18, 7156/5.0=12...(4) HA ASP 32 + HG2 GLN 36 OK 26 81 - 32 - 3.6/1898=11, 7156/5.0=9...(6) HA ASP 81 + HG2 GLN 36 OK 19 97 - 19 - 7156/5.0=8, 7079/7181=3...(5) HB THR 59 + HG2 GLN 36 OK 18 100 - 17 - 7156/5.0=4, ~5918=4...(6) HA LYS 61 - HG2 GLN 36 lone 5 60 - 9 - 3.0/7077=2, ~7078=2, 5292/146=1 Peak 7181 from cnoeabs.peaks (0.34, 2.42, 33.99 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 37 + HG2 GLN 36 OK 85 100 - 85 - 5279=33, 7182/1.8=31...(9) HG13 ILE 80 + HG2 GLN 36 OK 20 83 - 24 - 7182/1.8=8, 3.2/7183=5...(7) Peak 7182 from cnoeabs.peaks (0.35, 2.30, 33.99 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 37 + HG3 GLN 36 OK 76 100 - 77 - 7181/1.8=32, 4.5/147=27...(8) HG13 ILE 80 + HG3 GLN 36 OK 20 96 - 21 - 7181/1.8=8, ~7183=3...(6) Peak 7183 from cnoeabs.peaks (0.85, 2.42, 33.99 ppm; 5.32 A): 3 out of 9 assignments used, quality = 0.92: QG2 ILE 37 + HG2 GLN 36 OK 87 100 - 87 - 4.0/146=29, 3.3/7181=26...(13) QG2 ILE 80 + HG2 GLN 36 OK 26 100 - 26 - 3.2/7181=6, ~7182=5...(9) QG2 VAL 30 + HG2 GLN 36 OK 19 100 - 19 - 5049/4.0=4, 5245/5.0=4...(5) QD2 LEU 62 - HG2 GLN 36 OK 18 97 - 19 - 5248/4.0=6, 5245/5.0=4...(5) QG1 VAL 30 - HG2 GLN 36 OK 16 99 - 16 - 5245/5.0=4, 5248/4.0=3...(4) QG2 ILE 16 - HG2 GLN 36 OK 14 87 - 16 - 2.1/7077=3, ~7078=2...(6) QG1 VAL 18 - HG2 GLN 36 lone 7 78 - 9 - 4688/5261=1, 5245/5.0=1 QD1 ILE 51 - HG2 GLN 36 lone 7 73 - 9 - 5245/5.0=2, 7035/5261=1 QG2 THR 42 - HG2 GLN 36 lone 3 65 - 5 - 5499/5166=1 Peak 7184 from cnoeabs.peaks (3.65, 3.05, 41.56 ppm; 5.62 A): 1 out of 6 assignments used, quality = 0.63: HB3 SER 69 + HE2 LYS 41 OK 63 89 - 71 - 7083/4.8=26, 5474/4.8=18...(9) HD3 PRO 49 - HE2 LYS 41 lone 6 78 - 7 - 5693/5694=4 HB3 SER 69 - HE2 LYS 61 lone 3 44 - 6 - 5474/2064=1, 5693/5694=1 HA2 GLY 47 - HE2 LYS 41 lone 2 63 - 3 - HD3 PRO 49 - HE2 LYS 61 lone 1 37 - 4 - HA2 GLY 47 - HE2 LYS 61 lone 1 28 - 2 - Peak 7186 from cnoeabs.peaks (2.03, 1.40, 24.75 ppm; 4.46 A): 2 out of 28 assignments used, quality = 0.98: QE MET 50 + HG2 LYS 41 OK 88 100 - 88 - 5694/3.8=29, 5673/3.0=23...(20) HB3 MET 50 + HG2 LYS 41 OK 86 100 - 87 - 5665/3.0=19, ~5662=15...(25) QE MET 50 - HG2 LYS 61 poor 10 59 - 16 - 5672/1.8=4, 5672=3...(5) QE MET 50 - HG3 LYS 61 poor 9 56 - 16 - 5672/1.8=4, 5672=3...(5) HB2 GLU 23 - HG2 LYS 41 poor 9 73 - 12 - 5665/3.0=2, 5697/4.9=1...(5) HB2 LYS 35 - HG2 LYS 41 lone 8 81 - 10 - 5457/4.9=2, 5465/3.0=2...(5) QE MET 50 - HG3 LYS 45 lone 8 87 - 9 - 5672=2 HB3 MET 50 - HG3 LYS 45 lone 7 88 - 8 - 5697/770=1 HG2 PRO 49 - HG2 LYS 41 lone 6 68 - 9 - 5463/3.0=1 HB3 MET 50 - HG2 LYS 61 lone 5 60 - 9 - 4.1/5672=2, 2.9/5467=1 HB3 MET 50 - HG3 LYS 61 lone 5 57 - 9 - 4.1/5672=2, 2.9/5467=1, ~5467=1 HB2 LYS 35 - HG2 LYS 61 poor 5 41 - 12 - 1802/3.9=2, 1801/3.0=2...(5) HB2 LYS 35 - HG3 LYS 61 poor 5 39 - 12 - 1802/3.9=2, 1801/3.0=2...(5) HG2 PRO 92 - HG2 LYS 41 lone 5 100 - 4 - HB3 GLN 36 - HG2 LYS 41 lone 3 93 - 4 - HB3 GLN 36 - HG2 LYS 61 lone 2 51 - 4 - HB3 GLN 36 - HG3 LYS 61 lone 2 48 - 4 - HB2 LYS 35 - HG3 LYS 45 lone 2 64 - 3 - HB3 GLN 36 - HG3 LYS 45 lone 1 77 - 2 - HG2 PRO 49 - HG3 LYS 45 lone 1 53 - 2 - HG2 PRO 92 - HG3 LYS 45 lone 1 87 - 1 - HB2 GLU 23 - HG3 LYS 45 lone 1 58 - 2 - HG2 PRO 92 - HG2 LYS 61 lone 1 59 - 1 - HG2 PRO 92 - HG3 LYS 61 lone 1 56 - 1 - HB2 GLU 23 - HG2 LYS 61 lone 1 37 - 2 - HG2 PRO 49 - HG2 LYS 61 lone 1 34 - 2 - HB2 GLU 23 - HG3 LYS 61 lone 1 35 - 2 - HG2 PRO 49 - HG3 LYS 61 lone 1 32 - 2 - Peak 7187 from cnoeabs.peaks (2.39, 1.40, 24.75 ppm; 5.51 A): 2 out of 20 assignments used, quality = 1.00: HG3 MET 50 + HG2 LYS 41 OK 95 99 - 97 - 3.3/5672=21, 1.8/5467=18...(29) HB3 ASP 71 + HG2 LYS 41 OK 93 97 - 95 - 3.0/6262=30, 6272/3.0=28...(21) HB3 PRO 74 - HG2 LYS 41 OK 39 99 - 39 - 3.9/6354=6, 7188/1.8=5...(14) HB3 ASP 71 - HG3 LYS 45 OK 21 82 - 25 - 3.0/6262=4, 7121=4...(11) HB3 ASP 71 - HG2 LYS 61 OK 15 55 - 28 - 7121=4, 6269/3.0=4...(10) HB3 ASP 71 - HG3 LYS 61 OK 14 52 - 27 - 7121=4, 6269/3.0=4...(10) HG3 MET 50 - HG2 LYS 61 OK 12 57 - 20 - 3.3/5672=3, ~5672=3...(7) HG3 MET 50 - HG3 LYS 61 OK 11 54 - 20 - 3.3/5672=3, ~5672=3...(7) HG3 MET 50 - HG3 LYS 45 OK 11 84 - 13 - 3.3/5672=1, 1.8/5467=1...(6) HB3 PRO 74 - HG3 LYS 45 lone 8 84 - 9 - 3.9/6354=2, ~6332=2 HG2 PRO 73 - HG2 LYS 41 poor 6 57 - 11 - 3.8/5479=2, 2.3/5467=2, ~5464=2 HB3 PRO 74 - HG2 LYS 61 lone 4 57 - 7 - 3.9/6354=4 HB3 PRO 74 - HG3 LYS 61 lone 4 54 - 7 - 3.9/6354=4 HG3 GLN 48 - HG2 LYS 41 lone 3 78 - 4 - HG3 GLN 48 - HG3 LYS 45 lone 2 62 - 3 - HG2 PRO 73 - HG3 LYS 45 lone 2 44 - 4 - HG3 GLN 48 - HG2 LYS 61 lone 1 40 - 2 - HG3 GLN 48 - HG3 LYS 61 lone 1 38 - 2 - HG2 PRO 73 - HG2 LYS 61 lone 1 27 - 3 - HG2 PRO 73 - HG3 LYS 61 lone 1 26 - 3 - Peak 7188 from cnoeabs.peaks (2.38, 1.51, 24.75 ppm; 5.42 A): 2 out of 15 assignments used, quality = 1.00: HG3 MET 50 + HG3 LYS 41 OK 97 100 - 97 - ~5672=20, ~5662=17...(33) HB3 ASP 71 + HG3 LYS 41 OK 95 99 - 96 - 6272/3.0=28, ~6263=24...(23) HB3 PRO 74 - HG3 LYS 41 OK 35 100 - 35 - 7187/1.8=5, 7081/4.0=4...(13) HB3 ASP 71 - HG2 LYS 45 OK 20 83 - 24 - 7121/1.8=3, ~6262=3...(11) HB3 PRO 74 - HG13 ILE 93 OK 11 80 - 14 - ~6837=4, ~6838=4, ~6835=2 HG3 MET 50 - HG2 LYS 45 OK 11 85 - 13 - ~5672=1, 7081/2087=1...(5) HG3 MET 50 - HG13 ILE 93 OK 11 80 - 13 - ~6841=4, ~6854=2...(4) HB3 ASP 71 - HG13 ILE 93 lone 7 78 - 9 - 6269/3.0=1 HG2 PRO 73 - HG3 LYS 41 poor 7 65 - 10 - 3.8/5481=2, ~5464=2...(5) HG2 PRO 73 - HG13 ILE 93 poor 6 46 - 13 - ~6841=6, ~6842=2, 3.8/5481=1 HB3 PRO 74 - HG2 LYS 45 lone 5 85 - 6 - HG3 GLN 48 - HG13 ILE 93 poor 5 50 - 10 - ~6842=2, ~6807=2...(6) HG3 GLN 48 - HG3 LYS 41 lone 3 71 - 4 - HG2 PRO 73 - HG2 LYS 45 lone 2 50 - 4 - HG3 GLN 48 - HG2 LYS 45 lone 1 54 - 3 - Peak 7189 from cnoeabs.peaks (4.67, 0.88, 21.14 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.45: HA GLN 48 + QG2 THR 42 OK 45 100 - 46 - 3.8/5497=18, 3.0/5610=16...(7) HA SER 96 - QG2 THR 42 poor 7 57 - 12 - 3.6/5509=7, 3.0/5498=3 HA PHE 83 - QG2 THR 42 lone 3 99 - 3 - 3.0/2144=1 HA PRO 92 - QG2 THR 42 lone 3 97 - 3 - 3.5/2144=1 HB THR 26 - QG2 THR 42 lone 1 89 - 1 - Peak 7190 from cnoeabs.peaks (1.45, 4.59, 62.40 ppm; 4.46 A): 3 out of 10 assignments used, quality = 0.99: HB ILE 51 + HA PRO 49 OK 82 99 - 82 - ~5744=15, 3.2/5620=12...(24) QB ALA 31 + HA PRO 49 OK 73 96 - 77 - 5093/2.3=31, 5097/2.3=21...(17) HG13 ILE 51 + HA PRO 49 OK 72 87 - 83 - ~5744=21, 2.1/5620=14...(20) HG12 ILE 80 - HA PRO 49 OK 42 100 - 42 - 5639/2.3=6, 7191/2.3=5...(12) HB2 LYS 41 - HA PRO 49 OK 28 87 - 33 - 5656/3.6=5, 4.6/4558=4...(14) QG2 THR 67 - HA PRO 49 OK 16 100 - 15 - 6057/5521=2, 5639/2.3=2...(7) HG3 LYS 63 - HA PRO 49 OK 12 87 - 13 - 5639/2.3=2, 7191/2.3=2...(9) HG2 LYS 63 - HA PRO 49 OK 12 87 - 13 - 5639/2.3=2, 7191/2.3=2...(9) HG3 LYS 94 - HA PRO 49 lone 9 97 - 9 - 7191/2.3=1, 5639/2.3=1 HG2 LYS 44 - HA PRO 49 poor 9 81 - 11 - 5492/5502=1, 7191/2.3=1...(4) Peak 7191 from cnoeabs.peaks (1.45, 2.22, 32.31 ppm; 4.00 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 51 + HB2 PRO 49 OK 86 100 - 86 - ~5744=14, 3.0/5621=13...(31) QB ALA 31 + HB2 PRO 49 OK 80 97 - 83 - 5093/1.8=30, 5097=25...(21) HG13 ILE 51 + HB2 PRO 49 OK 72 83 - 87 - ~5744=20, 1.8/5621=16...(29) HG12 ILE 80 + HB2 PRO 49 OK 51 100 - 51 - 3.2/5622=6, 5639/1.8=6...(18) HB2 LYS 41 - HB2 PRO 49 OK 17 90 - 18 - 5656/3.8=4, 7190/2.3=2...(7) HG3 LYS 63 - HB2 PRO 49 OK 16 83 - 18 - 5639/1.8=2, 3.0/7192=2...(9) HG2 LYS 63 - HB2 PRO 49 OK 16 83 - 18 - 5639/1.8=2, 3.0/7192=2...(9) QG2 THR 67 - HB2 PRO 49 OK 14 100 - 14 - 5639/1.8=2, 5656/3.8=1...(5) HG2 LYS 44 - HB2 PRO 49 OK 11 85 - 12 - 3.0/7192=1, 3.0/7192=1...(4) HG3 LYS 94 - HB2 PRO 49 OK 10 96 - 10 - 2.9/7192=1, 2.9/7192=1 Peak 7192 from cnoeabs.peaks (1.69, 2.22, 32.31 ppm; 4.52 A): 5 out of 16 assignments used, quality = 0.91: HB ILE 40 + HB2 PRO 49 OK 85 99 - 85 - 2.1/5438=32, ~5415=24...(14) HG12 ILE 39 + HB2 PRO 49 OK 13 100 - 13 - ~5642=3, ~5646=2...(5) HD3 LYS 63 + HB2 PRO 49 OK 12 99 - 11 - 3.0/7191=2, 3.0/7191=2, ~5639=1 HD3 LYS 44 + HB2 PRO 49 OK 10 99 - 10 - 3.0/7191=1 HD2 LYS 44 + HB2 PRO 49 OK 10 99 - 10 - 3.0/7191=1 HD3 LYS 94 - HB2 PRO 49 lone 9 97 - 9 - 2.9/7191=1 HD2 LYS 94 - HB2 PRO 49 lone 9 97 - 9 - 2.9/7191=1 HG2 ARG 57 - HB2 PRO 49 lone 7 99 - 7 - 3.0/5893=2, 3.0/5893=2 HG3 ARG 57 - HB2 PRO 49 lone 7 99 - 7 - 3.0/5893=2, 3.0/5893=2 QB ALA 79 - HB2 PRO 49 lone 6 83 - 8 - 6494/6139=2 HD3 LYS 61 - HB2 PRO 49 lone 3 99 - 3 - HD2 LYS 61 - HB2 PRO 49 lone 3 99 - 3 - HD3 LYS 35 - HB2 PRO 49 lone 3 100 - 3 - 2041/5623=1 HD3 LYS 45 - HB2 PRO 49 lone 3 95 - 3 - HD2 LYS 45 - HB2 PRO 49 lone 3 92 - 3 - HD2 LYS 77 - HB2 PRO 49 lone 2 93 - 2 - Peak 7193 from cnoeabs.peaks (3.25, 2.03, 16.76 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.65: HB2 ASN 43 + QE MET 50 OK 65 78 - 83 - 3.0/5690=37, ~5684=18...(11) Peak 7194 from cnoeabs.peaks (3.75, 1.03, 21.69 ppm; 4.11 A): 3 out of 6 assignments used, quality = 0.71: HA2 GLY 60 + QG2 THR 55 OK 58 89 - 66 - 5937=25, 1.8/7195=21...(5) HA VAL 30 + QG2 THR 55 OK 19 100 - 19 - 3.2/5870=5, 3.2/5870=5...(4) HA2 GLY 64 + QG2 THR 55 OK 14 100 - 14 - 3.0/5990=6, 5979/5977=3, 5937=2 HB THR 42 - QG2 THR 55 lone 5 87 - 6 - ~5497=2, 3.0/5862=1 HA2 GLY 22 - QG2 THR 55 lone 3 68 - 4 - 3.0/5855=3 HA2 GLY 20 - QG2 THR 55 lone 3 95 - 3 - Peak 7195 from cnoeabs.peaks (4.18, 1.03, 21.69 ppm; 4.41 A): 2 out of 7 assignments used, quality = 0.76: HA3 GLY 60 + QG2 THR 55 OK 72 100 - 73 - 5583=27, 1.8/5937=25...(5) HA VAL 25 + QG2 THR 55 OK 13 60 - 22 - 3.2/5870=5, 3.0/4893=5...(6) HA3 GLY 90 - QG2 THR 55 lone 9 87 - 10 - 3.6/5856=4, 3.0/5854=3 HA TYR 33 - QG2 THR 55 poor 8 73 - 11 - 3.0/5863=4, 3.6/5855=4 HA3 GLY 47 - QG2 THR 55 lone 7 100 - 6 - 5860/2.1=3, 5583=3 HA ALA 78 - QG2 THR 55 lone 6 78 - 8 - 2.1/5867=3, 5860/2.1=2 HB THR 99 - QG2 THR 55 lone 1 68 - 1 - Peak 7196 from cnoeabs.peaks (1.03, 4.35, 55.60 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.83: QG2 THR 55 + HA LYS 61 OK 70 100 - 70 - 5862=21, 5853/3.6=19...(15) QG2 THR 55 + HA LEU 62 OK 45 62 - 72 - 5862=22, 5853/3.0=21...(9) HG12 ILE 51 - HA LYS 61 poor 9 87 - 11 - 5945/2.9=4 HG12 ILE 51 - HA LEU 62 poor 8 49 - 16 - 5977/3.6=4, 5762/3.0=2...(8) Peak 7197 from cnoeabs.peaks (2.67, 2.30, 29.26 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.62: HB2 ASP 12 + HB3 PRO 73 OK 62 100 - 62 - 4502/2.3=34, 1.8/5132=21...(6) HE3 LYS 86 - HB3 PRO 73 lone 5 100 - 5 - 3635=2, 1.8/3625=1 Peak 7198 from cnoeabs.peaks (2.63, 2.30, 29.26 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.74: HB3 ASP 12 + HB3 PRO 73 OK 59 97 - 61 - ~4502=25, 5132=22...(6) HB3 ASP 32 + HB3 PRO 73 OK 38 96 - 40 - 5132=12, 5131/1.8=7...(8) HB3 ASP 81 - HB3 PRO 73 lone 6 100 - 6 - ~6322=2, ~6327=1 Peak 7199 from cnoeabs.peaks (6.93, 1.36, 29.44 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.93: HZ PHE 83 + HG12 ILE 37 OK 82 95 - 87 - 7201/2.1=28, 7200/1.8=24...(19) QE PHE 88 + HG12 ILE 37 OK 60 93 - 64 - 7201/2.1=18, 7200/1.8=17...(14) Peak 7200 from cnoeabs.peaks (6.93, 1.18, 29.44 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.93: HZ PHE 83 + HG13 ILE 37 OK 83 95 - 88 - 7201/2.1=27, 7199/1.8=22...(18) QE PHE 88 + HG13 ILE 37 OK 59 93 - 64 - 7201/2.1=17, 7199/1.8=16...(15) Peak 7201 from cnoeabs.peaks (6.93, 0.35, 11.68 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.83: HZ PHE 83 + QD1 ILE 37 OK 70 89 - 78 - 7200/2.1=16, 7199/2.1=15...(22) QE PHE 88 + QD1 ILE 37 OK 45 87 - 51 - 7200/2.1=12, 7199/2.1=11...(13) Peak 7202 from cnoeabs.peaks (6.93, 1.85, 40.08 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.92: HZ PHE 83 + HB ILE 37 OK 73 95 - 77 - 7201/3.2=18, 4808=17...(17) QE PHE 88 + HB ILE 37 OK 49 93 - 53 - 7201/3.2=12, 7200/3.0=11...(12) HZ PHE 83 + HB ILE 16 OK 31 55 - 57 - 4808=13, ~4838=7...(17) QE PHE 88 + HB ILE 16 OK 15 54 - 28 - ~4852=4, ~4631=3...(11) Peak 7203 from cnoeabs.peaks (6.92, 0.85, 19.06 ppm; 4.02 A): 0 out of 2 assignments used, low quality = 0.25: HZ PHE 34 - QG2 ILE 37 OK 14 65 - 21 - 3.8/5302=7, 2.2/4689=4...(6) HZ PHE 34 - QG2 ILE 16 OK 13 30 - 45 - ~4632=12, 4831/3.1=9...(10) Peak 7204 from cnoeabs.peaks (3.02, 4.35, 55.60 ppm; 4.79 A): 3 out of 16 assignments used, quality = 0.96: HE2 LYS 61 + HA LYS 61 OK 84 99 - 85 - 6.6=39, 2782/3.0=11...(28) HE3 LYS 61 + HA LYS 61 OK 65 78 - 83 - 6.6=39, 3.9/2758=9...(28) HE3 LYS 44 + HA LYS 61 OK 35 99 - 36 - 2782/3.0=4, 2772/3.0=4...(14) HE2 LYS 44 - HA LYS 61 OK 35 99 - 36 - 2782/3.0=4, 2772/3.0=4...(14) HE2 LYS 61 - HA LEU 62 OK 23 61 - 38 - ~4251=6, ~4250=6, ~278=5...(9) HE2 LYS 35 - HA LYS 61 OK 23 100 - 23 - 2782/3.0=3, 2772/3.0=3...(10) HE3 LYS 35 - HA LYS 61 OK 23 100 - 23 - 2782/3.0=3, 2772/3.0=3...(10) HE3 LYS 61 - HA LEU 62 OK 16 43 - 38 - ~4251=6, ~4250=6, ~278=5...(9) HB2 SER 75 - HA LYS 61 poor 10 96 - 10 - 6361/3.9=3, 6361/3.9=2...(4) HE2 LYS 41 - HA LYS 61 lone 5 71 - 7 - ~5941=2 HE3 LYS 44 - HA LEU 62 lone 3 61 - 5 - HE2 LYS 44 - HA LEU 62 lone 3 60 - 5 - HB2 SER 75 - HA LEU 62 lone 2 57 - 3 - 6365/4.0=1 HE2 LYS 35 - HA LEU 62 lone 2 62 - 3 - HE3 LYS 35 - HA LEU 62 lone 2 62 - 3 - HE2 LYS 41 - HA LEU 62 lone 1 38 - 2 - Peak 7207 from cnoeabs.peaks (4.28, 2.52, 38.34 ppm; 5.91 A): 3 out of 12 assignments used, quality = 0.94: HD2 PRO 73 + HB3 ASN 14 OK 89 99 - 90 - 3.0/4532=31, 3.6/6306=28...(10) HD2 PRO 73 + HB2 ASN 13 OK 32 96 - 33 - 3.6/6306=10, 3.0/4532=8...(5) HA ALA 79 + HB3 ASN 14 OK 13 93 - 13 - ~1186=4, 4482=3...(4) HA ALA 79 - HB2 ASN 13 lone 9 90 - 10 - 4482=2 HA LYS 63 - HB3 ASN 14 lone 7 97 - 7 - 5.0/4534=4 HA LYS 63 - HB2 ASN 13 lone 6 93 - 6 - 5.0/4534=3 HA3 GLY 85 - HB3 ASN 14 lone 3 85 - 4 - HA GLU 58 - HB3 ASN 14 lone 3 89 - 4 - HA GLU 58 - HB2 ASN 13 lone 3 85 - 3 - HA3 GLY 85 - HB2 ASN 13 lone 3 81 - 3 - HA ASP 32 - HB3 ASN 14 lone 2 81 - 3 - HA ASP 32 - HB2 ASN 13 lone 2 77 - 3 - Peak 7208 from cnoeabs.peaks (1.99, 1.53, 33.95 ppm; 4.73 A): 7 out of 9 assignments used, quality = 0.86: HB2 LYS 77 + HB3 LYS 63 OK 43 98 - 44 - 7101/1.8=14, 2.9/2912=7...(11) HB2 GLU 65 + HB3 LYS 63 OK 43 97 - 44 - 7114=19, 3.7/6004=12...(6) HB VAL 25 + HB3 LYS 63 OK 23 99 - 23 - 2.1/4900=7, 7101/1.8=6...(4) HG2 GLN 19 + HB3 LYS 63 OK 17 96 - 18 - 4734=5, 7101/1.8=3...(6) HB3 GLU 28 + HB3 LYS 63 OK 14 98 - 14 - 7101/1.8=4, ~5004=2...(6) HG2 PRO 49 + HB3 LYS 63 OK 13 90 - 14 - 7101/1.8=3, 5640/2.9=1...(6) HG3 PRO 74 + HB3 LYS 63 OK 11 100 - 11 - 7101/1.8=3, 5840/7108=2...(4) HB2 GLU 23 - HB3 LYS 63 lone 8 87 - 9 - 3.0/4861=2, 7101/1.8=2...(4) HB3 GLN 36 - HB3 LYS 63 lone 1 63 - 2 - Peak 7209 from cnoeabs.peaks (2.83, 1.59, 28.85 ppm; 4.62 A): 4 out of 4 assignments used, quality = 0.91: HB2 TYR 54 + HD2 LYS 63 OK 81 100 - 81 - 1.8/7210=38, 7107/3.9=15...(17) HB2 PHE 17 + HD2 LYS 63 OK 30 99 - 30 - 7107/3.9=5, 7105/3.9=5...(9) HB3 TYR 33 + HD2 LYS 63 OK 17 97 - 18 - 7107/3.9=4, 7105/3.9=4...(7) HB2 ASP 72 + HD2 LYS 63 OK 14 99 - 14 - 7107/3.9=3, 7105/3.9=3...(5) Peak 7210 from cnoeabs.peaks (3.15, 1.59, 28.85 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.81: HB3 TYR 54 + HD2 LYS 63 OK 81 97 - 84 - 7108/3.9=27, 7106/3.9=26...(17) Peak 7211 from cnoeabs.peaks (7.15, 3.79, 58.58 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.94: HZ PHE 97 + HA LYS 77 OK 76 100 - 77 - 4757/3.0=17, 4797=15...(18) QE PHE 97 + HA LYS 77 OK 72 93 - 78 - 2.2/4759=16, 4761/3.0=15...(19) QD TYR 54 - HA LYS 77 OK 23 81 - 29 - 4703/3.0=6, 6412/3.0=5...(9) H GLU 65 - HA LYS 77 lone 6 99 - 6 - 7124/3.0=1 HH2 TRP 82 - HA LYS 77 lone 5 89 - 6 - 2.5/6403=3, ~6404=1 Peak 7212 from cnoeabs.peaks (7.77, 1.88, 31.71 ppm; 5.57 A): 2 out of 8 assignments used, quality = 0.99: H ASN 91 + HB2 GLU 87 OK 96 99 - 96 - 6777/4.1=40, 7213/1.8=39...(13) H ASN 91 + HB2 PRO 92 OK 67 68 - 99 - 6761/3.0=42, ~6791=33...(20) H LYS 61 - HB2 GLU 87 OK 24 95 - 24 - 7213/1.8=8, 6698/4.1=6...(5) H ASN 91 - HB3 LYS 44 OK 11 53 - 20 - 3.6/6686=3, 6750/2.9=3...(5) H ASN 91 - HB2 LYS 44 poor 9 45 - 20 - 6750/2.9=3, 3.6/6740=3...(5) H LYS 61 - HB3 LYS 44 poor 7 47 - 15 - 2834/4.8=2, 872/4.8=2...(7) H LYS 61 - HB2 LYS 44 poor 6 40 - 15 - 2834/4.8=2, 872/4.8=2...(7) H LYS 61 - HB2 PRO 92 lone 4 61 - 7 - 6761/3.0=1 Peak 7213 from cnoeabs.peaks (7.77, 1.56, 31.71 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.94: H ASN 91 + HB3 GLU 87 OK 94 99 - 95 - 6777/4.1=34, 6764/3.0=31...(14) H LYS 61 - HB3 GLU 87 OK 18 95 - 19 - 6698/4.1=5, 6764/3.0=4...(5) Peak 7214 from cnoeabs.peaks (4.64, 1.68, 28.85 ppm; 4.89 A): 4 out of 44 assignments used, quality = 0.72: HA ASP 56 + HD3 LYS 63 OK 38 92 - 42 - 7103/1.8=24, 7104/3.0=5...(8) HA ASP 56 + HD3 LYS 61 OK 26 91 - 29 - 7104/3.0=4, 7104/3.0=4...(9) HA ASP 56 + HD2 LYS 61 OK 26 91 - 29 - 7104/3.0=4, 7104/3.0=4...(9) HA ASN 13 + HD3 LYS 63 OK 18 85 - 21 - 7103/1.8=15, ~4534=2...(4) HA PHE 83 - HD3 LYS 63 lone 5 76 - 7 - 7103/1.8=3, 3.0/6602=1 HA PHE 83 - HD3 LYS 94 lone 5 64 - 8 - 3.0/6602=2, ~6602=1, 6617/2.9=1 HA PHE 83 - HD2 LYS 94 lone 5 64 - 8 - 3.0/6602=2, ~6602=1, 6617/2.9=1 HA PHE 83 - HG12 ILE 27 poor 5 41 - 12 - 3.0/6602=2, ~6608=2...(6) HA PRO 92 - HD3 LYS 63 lone 4 85 - 5 - 7103/1.8=2 HA PHE 83 - HD2 LYS 61 lone 3 75 - 4 - 3.0/6602=1 HA PHE 83 - HD3 LYS 61 lone 3 75 - 4 - 3.0/6602=1 HA ASP 56 - HD3 LYS 94 lone 3 80 - 4 - HA ASP 56 - HD2 LYS 94 lone 3 80 - 4 - HA PRO 92 - HD2 LYS 61 lone 2 84 - 3 - HA PRO 92 - HD3 LYS 61 lone 2 84 - 3 - HA ASP 56 - HG12 ILE 27 lone 2 53 - 4 - HA ASP 56 - HD2 LYS 44 lone 2 63 - 3 - HA ASP 56 - HD3 LYS 44 lone 2 63 - 3 - HA PHE 83 - HD2 LYS 44 lone 2 49 - 4 - HA PHE 83 - HD3 LYS 44 lone 2 49 - 4 - HA ASN 13 - HD2 LYS 61 lone 2 84 - 2 - HA ASN 13 - HD3 LYS 61 lone 2 84 - 2 - HA PHE 83 - HD3 LYS 45 lone 2 36 - 4 - HA PRO 92 - HD2 LYS 94 lone 1 73 - 2 - HA PRO 92 - HD3 LYS 94 lone 1 73 - 2 - HA PHE 83 - HD2 LYS 45 lone 1 32 - 4 - HA PRO 92 - HD2 LYS 44 lone 1 57 - 2 - HA PRO 92 - HD3 LYS 44 lone 1 57 - 2 - HA ASP 56 - HD2 LYS 77 lone 1 43 - 3 - HA ASN 13 - HD3 LYS 94 lone 1 73 - 2 - HA ASN 13 - HD2 LYS 94 lone 1 73 - 2 - HA PRO 92 - HG12 ILE 27 lone 1 47 - 2 - HA PHE 83 - HD2 LYS 77 lone 1 33 - 3 - HA ASN 13 - HD2 LYS 44 lone 1 57 - 1 - HA ASN 13 - HD3 LYS 44 lone 1 57 - 1 - HA ASP 56 - HD3 LYS 45 lone 1 47 - 2 - HA ASN 13 - HG12 ILE 27 lone 1 47 - 2 - HA PRO 92 - HD3 LYS 45 lone 1 41 - 2 - HA ASP 56 - HD2 LYS 45 lone 1 42 - 2 - HA PRO 92 - HD2 LYS 45 lone 1 37 - 2 - HA ASN 13 - HD3 LYS 45 lone 1 41 - 1 - HA PRO 92 - HD2 LYS 77 lone 1 38 - 1 - HA ASN 13 - HD2 LYS 77 lone 1 38 - 1 - HA ASN 13 - HD2 LYS 45 lone 1 37 - 1 - Peak 7215 from cnoeabs.peaks (3.16, 1.68, 28.85 ppm; 4.54 A): 3 out of 11 assignments used, quality = 0.95: HB3 TYR 54 + HD3 LYS 63 OK 87 100 - 87 - 7210/1.8=36, 7108/3.9=26...(16) HB3 TYR 54 + HD2 LYS 61 OK 38 100 - 39 - 5836/3.9=5, 7109/3.0=5...(17) HB3 TYR 54 + HD3 LYS 61 OK 38 100 - 39 - 5836/3.9=5, 7109/3.0=5...(17) HB3 TYR 54 - HD2 LYS 94 OK 30 92 - 33 - 5836/3.4=4, 5837=4...(16) HB3 TYR 54 - HD3 LYS 94 OK 30 92 - 33 - 5836/3.4=4, 5837=4...(16) HB3 TYR 54 - HD2 LYS 77 OK 26 52 - 51 - 5838/3.0=9, 5838/3.0=9...(15) HB3 TYR 54 - HD2 LYS 44 OK 13 75 - 17 - 5837=2, 5838/3.0=2...(8) HB3 TYR 54 - HD3 LYS 44 OK 13 74 - 17 - 5837=2, 5838/3.0=2...(7) HB3 TYR 54 - HD3 LYS 45 lone 5 56 - 8 - HB3 TYR 54 - HD2 LYS 45 lone 4 51 - 8 - HB3 TYR 54 - HG12 ILE 27 lone 4 63 - 6 - ~4706=3 Peak 7216 from cnoeabs.peaks (7.17, 1.59, 28.85 ppm; 4.96 A): 3 out of 6 assignments used, quality = 0.95: QD TYR 54 + HD2 LYS 63 OK 87 100 - 87 - 2.5/7210=39, 2.5/7209=22...(19) QE PHE 97 + HD2 LYS 63 OK 40 100 - 40 - 4766/1.8=5, 2.2/6964=5...(15) HZ PHE 97 + HD2 LYS 63 OK 32 85 - 37 - 5974/3.9=5, 5972/5.0=4...(15) H GLU 65 - HD2 LYS 63 OK 25 71 - 36 - 6004/3.9=8, 5971/5.9=7...(8) H LYS 77 - HD2 LYS 63 OK 14 63 - 22 - 348=3, ~6414=3...(10) HD22 ASN 43 - HD2 LYS 63 lone 1 63 - 2 - Peak 7217 from cnoeabs.peaks (2.83, 1.68, 28.85 ppm; 5.06 A): 3 out of 44 assignments used, quality = 0.95: HB2 TYR 54 + HD3 LYS 63 OK 87 100 - 88 - ~7210=34, 7209/1.8=25...(16) HB2 TYR 54 + HD2 LYS 61 OK 40 99 - 40 - 1.8/7215=6, ~7215=5...(13) HB2 TYR 54 + HD3 LYS 61 OK 40 99 - 40 - 1.8/7215=6, ~7215=5...(13) HB2 PHE 17 - HD3 LYS 63 OK 36 97 - 38 - 7209/1.8=9, 7107/3.9=6...(9) HB2 TYR 54 - HD3 LYS 94 OK 33 90 - 36 - 1.8/7215=5, ~7215=4...(15) HB2 TYR 54 - HD2 LYS 94 OK 33 90 - 36 - 1.8/7215=5, ~7215=4...(15) HB2 TYR 54 - HD2 LYS 77 OK 29 51 - 56 - 5843/3.0=9, 5843/3.0=9...(14) HB3 TYR 33 - HD3 LYS 63 OK 20 93 - 21 - 7209/1.8=5, 7107/3.9=5...(6) HB2 ASP 72 - HD3 LYS 63 OK 16 97 - 16 - 7209/1.8=4, 7107/3.9=3...(6) HB2 TYR 54 - HD2 LYS 44 OK 15 73 - 19 - 5843/3.0=2, 1.8/7215=2...(11) HB2 TYR 54 - HD3 LYS 44 OK 15 73 - 19 - 5843/3.0=2, 1.8/7215=2...(11) HB2 PHE 17 - HD2 LYS 61 OK 11 96 - 11 - ~4652=2, 4661/4.8=2...(5) HB2 PHE 17 - HD3 LYS 61 OK 11 96 - 11 - ~4652=2, 4661/4.8=2...(5) HB2 PHE 17 - HD3 LYS 94 lone 8 85 - 9 - 4674/2.9=1, ~4678=1...(4) HB2 PHE 17 - HD2 LYS 94 lone 8 85 - 9 - 4674/2.9=1, ~4678=1...(4) HB2 TYR 54 - HD3 LYS 45 lone 5 55 - 8 - HB2 TYR 54 - HG12 ILE 27 lone 4 62 - 7 - ~4706=3 HB2 PHE 17 - HG12 ILE 27 lone 4 58 - 8 - ~4667=3, ~4668=3 HB2 TYR 54 - HD2 LYS 45 lone 4 50 - 8 - HB3 TYR 33 - HD3 LYS 94 lone 4 81 - 5 - 5144/6.1=1 HB3 TYR 33 - HD2 LYS 94 lone 4 81 - 5 - 5144/6.1=1 HB3 TYR 33 - HD2 LYS 61 lone 3 92 - 4 - HB3 TYR 33 - HD3 LYS 61 lone 3 92 - 4 - HB2 PHE 17 - HD2 LYS 44 lone 2 68 - 3 - HB2 PHE 17 - HD3 LYS 44 lone 2 68 - 3 - HB2 ASP 72 - HD3 LYS 61 lone 2 96 - 2 - HB2 ASP 72 - HD2 LYS 61 lone 2 96 - 2 - HB2 ASP 72 - HD3 LYS 94 lone 2 85 - 2 - HB2 ASP 72 - HD2 LYS 94 lone 2 85 - 2 - HB3 TYR 33 - HG12 ILE 27 lone 2 54 - 4 - HB3 TYR 33 - HD2 LYS 44 lone 2 65 - 3 - HB3 TYR 33 - HD3 LYS 44 lone 2 65 - 3 - HB3 TYR 33 - HD3 LYS 45 lone 2 48 - 3 - 5144/6.3=1 HB2 ASP 72 - HD2 LYS 77 lone 1 47 - 3 - 6297/3.7=1 HB3 TYR 33 - HD2 LYS 45 lone 1 43 - 3 - 5144/6.3=1 HB2 ASP 72 - HD2 LYS 44 lone 1 68 - 2 - HB2 ASP 72 - HD3 LYS 44 lone 1 68 - 2 - HB2 PHE 17 - HD3 LYS 45 lone 1 51 - 2 - HB2 ASP 72 - HG12 ILE 27 lone 1 58 - 2 - HB3 TYR 33 - HD2 LYS 77 lone 1 44 - 2 - HB2 PHE 17 - HD2 LYS 45 lone 1 46 - 2 - HB2 ASP 72 - HD3 LYS 45 lone 1 51 - 2 - HB2 PHE 17 - HD2 LYS 77 lone 1 47 - 2 - HB2 ASP 72 - HD2 LYS 45 lone 1 46 - 2 - Peak 4529 from aronoe.peaks (5.41, 7.11, 131.48 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 17 + QD PHE 17 OK 100 100 - 100 - 3.7=100 Peak 4530 from aronoe.peaks (2.82, 7.11, 131.48 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 17 + QD PHE 17 OK 100 100 - 100 - 2.4=100 Peak 4531 from aronoe.peaks (2.71, 7.11, 131.48 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 17 + QD PHE 17 OK 100 100 - 100 - 2.4=100 Peak 4532 from aronoe.peaks (7.11, 7.11, 131.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 17 + QD PHE 17 OK 100 100 - 100 Peak 4533 from aronoe.peaks (7.01, 7.11, 131.48 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 17 + QD PHE 17 OK 100 100 - 100 - 2.2=100 Peak 4535 from aronoe.peaks (7.11, 7.01, 131.29 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 17 + QE PHE 17 OK 100 100 - 100 - 2.2=100 Peak 4536 from aronoe.peaks (7.01, 7.01, 131.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 17 + QE PHE 17 OK 100 100 - 100 Peak 4537 from aronoe.peaks (7.03, 7.01, 131.29 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: QE PHE 17 + QE PHE 17 OK 93 93 - 100 Reference assignment not found: HZ PHE 17 - QE PHE 17 Peak 4538 from aronoe.peaks (7.11, 7.03, 129.38 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.74: * QD PHE 17 + HZ PHE 17 OK 74 99 - 75 - 3.8=68, ~4650=10...(6) HH2 TRP 82 - HZ PHE 17 lone 2 68 - 2 - Peak 4539 from aronoe.peaks (7.01, 7.03, 129.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HZ PHE 17 + HZ PHE 17 OK 78 78 - 100 Reference assignment not found: QE PHE 17 - HZ PHE 17 Peak 4540 from aronoe.peaks (7.03, 7.03, 129.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ PHE 17 + HZ PHE 17 OK 98 98 - 100 Peak 4541 from aronoe.peaks (4.20, 5.85, 132.41 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.91: * HA TYR 33 + QD TYR 33 OK 91 100 - 91 - 3.7=72, 3.0/715=21...(13) HA ILE 37 - QD TYR 33 lone 4 71 - 6 - 3.2/4654=2, 5264/7173=1, ~5169=1 HB THR 99 - QD TYR 33 lone 1 100 - 1 - HA3 GLY 60 - QD TYR 33 lone 1 71 - 2 - HA3 GLY 47 - QD TYR 33 lone 1 71 - 2 - Peak 4542 from aronoe.peaks (3.09, 5.85, 132.41 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.5=100 Peak 4543 from aronoe.peaks (2.82, 5.85, 132.41 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.5=100 Peak 4544 from aronoe.peaks (5.85, 5.85, 132.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 33 + QD TYR 33 OK 100 100 - 100 Peak 4545 from aronoe.peaks (6.22, 5.85, 132.41 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 33 + QD TYR 33 OK 100 100 - 100 - 2.2=100 Peak 4546 from aronoe.peaks (5.85, 6.22, 119.06 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 33 + QE TYR 33 OK 100 100 - 100 - 2.2=100 Peak 4547 from aronoe.peaks (6.21, 6.22, 119.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QE TYR 33 + QE TYR 33 OK 93 93 - 100 Peak 4548 from aronoe.peaks (4.33, 7.43, 131.91 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.89: * HA PHE 34 + QD PHE 34 OK 89 100 - 89 - 3.7=73, 3.0/723=21...(14) HA ASP 81 - QD PHE 34 poor 9 85 - 10 - 1167/4.3=3, 1160/4.5=2 HB THR 59 - QD PHE 34 lone 3 98 - 3 - 1167/4.3=1 HA LYS 61 - QD PHE 34 lone 2 83 - 2 - HA SER 11 - QD PHE 34 lone 0 68 - 0 - Peak 4549 from aronoe.peaks (3.41, 7.43, 131.91 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 34 + QD PHE 34 OK 100 100 - 100 - 2.4=100 Peak 4550 from aronoe.peaks (2.77, 7.43, 131.91 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.99: * HB3 PHE 34 + QD PHE 34 OK 99 99 - 100 - 2.4=100 Peak 4551 from aronoe.peaks (7.43, 7.43, 131.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + QD PHE 34 OK 100 100 - 100 Peak 4552 from aronoe.peaks (6.88, 7.43, 131.91 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 34 + QD PHE 34 OK 100 100 - 100 - 2.2=100 Peak 4553 from aronoe.peaks (6.89, 7.43, 131.91 ppm; 2.77 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 34 + QD PHE 34 OK 97 97 - 100 - 2.2=100 Reference assignment not found: HZ PHE 34 - QD PHE 34 Peak 4554 from aronoe.peaks (7.43, 6.88, 130.25 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + QE PHE 34 OK 100 100 - 100 - 2.2=100 Peak 4555 from aronoe.peaks (6.88, 6.88, 130.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 34 + QE PHE 34 OK 100 100 - 100 Peak 4556 from aronoe.peaks (6.89, 6.88, 130.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: QE PHE 34 + QE PHE 34 OK 97 97 - 100 Reference assignment not found: HZ PHE 34 - QE PHE 34 Peak 4557 from aronoe.peaks (7.43, 6.89, 129.16 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 34 + HZ PHE 34 OK 100 100 - 100 - 3.8=100 Peak 4558 from aronoe.peaks (6.88, 6.89, 129.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HZ PHE 34 + HZ PHE 34 OK 97 97 - 100 Reference assignment not found: QE PHE 34 - HZ PHE 34 Peak 4559 from aronoe.peaks (6.89, 6.89, 129.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 34 + HZ PHE 34 OK 100 100 - 100 Peak 4560 from aronoe.peaks (4.77, 7.17, 132.12 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.91: * HA TYR 54 + QD TYR 54 OK 89 100 - 89 - 3.7=79, 2.9/845=21...(7) HA PHE 97 + QD TYR 54 OK 13 100 - 13 - 2.9/4695=9, 3.6/5850=1 HA GLN 19 - QD TYR 54 lone 3 94 - 3 - HA THR 55 - QD TYR 54 lone 1 65 - 2 - Peak 4561 from aronoe.peaks (2.83, 7.17, 132.12 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 54 + QD TYR 54 OK 100 100 - 100 - 2.5=100 Peak 4562 from aronoe.peaks (3.16, 7.17, 132.12 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 54 + QD TYR 54 OK 100 100 - 100 - 2.5=100 Peak 4563 from aronoe.peaks (7.17, 7.17, 132.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 54 + QD TYR 54 OK 100 100 - 100 Peak 4564 from aronoe.peaks (6.85, 7.17, 132.12 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 54 + QD TYR 54 OK 100 100 - 100 - 2.2=100 Peak 4565 from aronoe.peaks (7.17, 6.85, 118.20 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 54 + QE TYR 54 OK 100 100 - 100 - 2.2=100 Peak 4566 from aronoe.peaks (6.85, 6.85, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 54 + QE TYR 54 OK 100 100 - 100 Peak 4567 from aronoe.peaks (4.82, 7.05, 131.42 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 70 + QD PHE 70 OK 100 100 - 100 - 3.7=100 Peak 4568 from aronoe.peaks (3.44, 7.05, 131.42 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.5=100 Peak 4569 from aronoe.peaks (2.78, 7.05, 131.42 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.5=100 Peak 4570 from aronoe.peaks (7.05, 7.05, 131.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + QD PHE 70 OK 100 100 - 100 Peak 4571 from aronoe.peaks (6.97, 7.05, 131.42 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 70 + QD PHE 70 OK 100 100 - 100 - 2.2=100 Peak 4572 from aronoe.peaks (6.82, 7.05, 131.42 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 70 + QD PHE 70 OK 100 100 - 100 - 3.8=100 Peak 4573 from aronoe.peaks (7.05, 6.97, 130.88 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 70 + QE PHE 70 OK 100 100 - 100 - 2.2=100 Peak 4574 from aronoe.peaks (6.97, 6.97, 130.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QE PHE 70 + QE PHE 70 OK 100 100 - 100 QE PHE 83 + QE PHE 83 OK 70 70 - 100 QE PHE 88 + QE PHE 88 OK 48 48 - 100 Peak 4575 from aronoe.peaks (6.82, 6.97, 130.88 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 70 + QE PHE 70 OK 100 100 - 100 - 2.2=100 Peak 4576 from aronoe.peaks (7.05, 6.82, 128.11 ppm; 3.52 A): 1 out of 4 assignments used, quality = 0.87: * QD PHE 70 + HZ PHE 70 OK 87 99 - 88 - 3.8=80, 2.5/4774=10...(10) HZ3 TRP 82 - HZ PHE 70 lone 3 92 - 3 - HZ PHE 17 - HZ PHE 70 lone 2 88 - 2 - HD22 ASN 91 - HZ PHE 70 lone 1 85 - 2 - Peak 4577 from aronoe.peaks (6.97, 6.82, 128.11 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.99: * QE PHE 70 + HZ PHE 70 OK 99 99 - 100 - 2.2=100 Peak 4578 from aronoe.peaks (6.82, 6.82, 128.11 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 70 + HZ PHE 70 OK 99 99 - 100 Peak 4579 from aronoe.peaks (4.36, 5.26, 126.58 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 82 + HD1 TRP 82 OK 100 100 - 100 - 4.5=100 Peak 4580 from aronoe.peaks (2.54, 5.26, 126.58 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.86: * HB2 TRP 82 + HD1 TRP 82 OK 86 100 - 86 - 3.9=70, 1.8/4581=24...(9) HB2 ASN 13 - HD1 TRP 82 lone 7 95 - 7 - 3.5/7163=3, 4505/5.0=2 HB3 ASN 14 - HD1 TRP 82 lone 3 84 - 4 - HB3 ASN 43 - HD1 TRP 82 lone 2 96 - 2 - Peak 4581 from aronoe.peaks (3.09, 5.26, 126.58 ppm; 3.76 A): 1 out of 6 assignments used, quality = 0.97: * HB3 TRP 82 + HD1 TRP 82 OK 97 100 - 97 - 3.9=90, 1.8/4580=36...(11) HB2 TYR 33 - HD1 TRP 82 OK 12 100 - 12 - 5142/4723=2, 4.0/4721=2...(5) HE3 LYS 41 - HD1 TRP 82 lone 8 100 - 8 - 3.8/4727=2, 5277/5315=1 HB2 ASP 56 - HD1 TRP 82 lone 5 70 - 7 - ~6571=5 HE3 LYS 77 - HD1 TRP 82 lone 3 100 - 3 - HE2 LYS 77 - HD1 TRP 82 lone 2 75 - 3 - Peak 4582 from aronoe.peaks (5.26, 5.26, 126.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 82 + HD1 TRP 82 OK 100 100 - 100 Peak 4584 from aronoe.peaks (9.78, 5.26, 126.58 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 82 + HD1 TRP 82 OK 100 100 - 100 - 2.6=100 Peak 4589 from aronoe.peaks (7.39, 7.39, 120.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 82 + HE3 TRP 82 OK 100 100 - 100 Peak 4591 from aronoe.peaks (7.04, 7.39, 120.51 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HE3 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 4595 from aronoe.peaks (7.39, 7.04, 121.57 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 4597 from aronoe.peaks (7.04, 7.04, 121.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 Peak 4598 from aronoe.peaks (7.34, 7.04, 121.57 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.81: * HZ2 TRP 82 + HZ3 TRP 82 OK 79 100 - 79 - 4.3=74, ~596=13, 5.0/7163=6 H GLY 38 + HZ3 TRP 82 OK 12 100 - 12 - 5329=4, 3.0/5327=3...(5) QD PHE 97 - HZ3 TRP 82 lone 7 99 - 6 - 2.4/6981=2, 4.9/6994=2 HD21 ASN 91 - HZ3 TRP 82 lone 1 83 - 1 - Peak 4599 from aronoe.peaks (7.14, 7.04, 121.57 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HZ3 TRP 82 OK 100 100 - 100 - 2.4=100 Peak 4602 from aronoe.peaks (9.78, 7.34, 114.08 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 - 2.8=100 Peak 4603 from aronoe.peaks (7.04, 7.34, 114.08 ppm; 3.85 A): 2 out of 7 assignments used, quality = 0.81: * HZ3 TRP 82 + HZ2 TRP 82 OK 79 100 - 79 - 4.3=73, ~596=13, 7163/5.0=7 HD21 ASN 13 + HZ2 TRP 82 OK 14 87 - 15 - 4507=6, 3.5/4506=3...(4) HZ PHE 17 - HZ2 TRP 82 lone 3 100 - 3 - QD PHE 70 - HZ2 TRP 82 lone 3 93 - 3 - QE PHE 17 - HZ2 TRP 82 lone 3 76 - 4 - 7163/5.0=1 HD22 ASN 91 - HZ2 TRP 82 lone 2 100 - 2 - HE22 GLN 19 - HZ2 TRP 82 lone 1 63 - 2 - Peak 4604 from aronoe.peaks (7.34, 7.34, 114.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 Peak 4605 from aronoe.peaks (7.14, 7.34, 114.08 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HZ2 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 4609 from aronoe.peaks (7.04, 7.14, 124.25 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 82 + HH2 TRP 82 OK 100 100 - 100 - 2.4=100 Peak 4610 from aronoe.peaks (7.34, 7.14, 124.25 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 82 + HH2 TRP 82 OK 100 100 - 100 - 2.5=100 Peak 4611 from aronoe.peaks (7.14, 7.14, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 82 + HH2 TRP 82 OK 100 100 - 100 Peak 4612 from aronoe.peaks (4.66, 7.56, 131.98 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.93: * HA PHE 83 + QD PHE 83 OK 93 100 - 93 - 3.7=85, 3.0/982=14...(16) HA PRO 92 + QD PHE 83 OK 11 100 - 11 - 3.5/4733=2, 6663/6674=1...(5) HA GLN 48 - QD PHE 83 lone 5 98 - 5 - HB THR 26 - QD PHE 83 lone 1 73 - 2 - Peak 4613 from aronoe.peaks (3.43, 7.56, 131.98 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.4=100 Peak 4614 from aronoe.peaks (3.48, 7.56, 131.98 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.4=100 Peak 4615 from aronoe.peaks (7.56, 7.56, 131.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + QD PHE 83 OK 100 100 - 100 Peak 4616 from aronoe.peaks (6.99, 7.56, 131.98 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 83 + QD PHE 83 OK 100 100 - 100 - 2.2=100 Peak 4617 from aronoe.peaks (6.95, 7.56, 131.98 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 83 + QD PHE 83 OK 100 100 - 100 - 3.8=100 Peak 4618 from aronoe.peaks (7.56, 6.99, 131.09 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + QE PHE 83 OK 100 100 - 100 - 2.2=100 Peak 4619 from aronoe.peaks (6.99, 6.99, 131.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 83 + QE PHE 83 OK 100 100 - 100 QE PHE 70 + QE PHE 70 OK 59 59 - 100 Peak 4620 from aronoe.peaks (6.95, 6.99, 131.09 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 83 + QE PHE 83 OK 100 100 - 100 - 2.2=100 Peak 4621 from aronoe.peaks (7.56, 6.95, 129.71 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 83 + HZ PHE 83 OK 100 100 - 100 - 3.8=100 Peak 4622 from aronoe.peaks (6.99, 6.95, 129.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 83 + HZ PHE 83 OK 100 100 - 100 - 2.2=100 Peak 4623 from aronoe.peaks (6.95, 6.95, 129.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 83 + HZ PHE 83 OK 100 100 - 100 Peak 4624 from aronoe.peaks (4.48, 6.22, 131.90 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 88 + QD PHE 88 OK 100 100 - 100 - 3.7=100 Peak 4625 from aronoe.peaks (2.18, 6.22, 131.90 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 88 + QD PHE 88 OK 100 100 - 100 - 2.5=100 Peak 4626 from aronoe.peaks (2.87, 6.22, 131.90 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 88 + QD PHE 88 OK 100 100 - 100 - 2.5=100 Peak 4627 from aronoe.peaks (6.22, 6.22, 131.90 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 88 + QD PHE 88 OK 99 99 - 100 Peak 4628 from aronoe.peaks (6.95, 6.22, 131.90 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 88 + QD PHE 88 OK 100 100 - 100 - 2.2=100 Peak 4629 from aronoe.peaks (6.98, 6.22, 131.90 ppm; 3.16 A): 2 out of 7 assignments used, quality = 0.76: * HZ PHE 88 + QD PHE 88 OK 64 100 - 64 - 3.8=58, 4853/4778=3...(5) QE PHE 83 + QD PHE 88 OK 34 99 - 34 - 4817=9, 2.2/4841=9...(5) QE PHE 70 - QD PHE 88 poor 10 95 - 10 - 4817=2 HE22 GLN 48 - QD PHE 88 lone 3 100 - 2 - HD21 ASN 52 - QD PHE 88 lone 2 99 - 2 - HD21 ASN 24 - QD PHE 88 lone 1 91 - 1 - HE22 GLN 19 - QD PHE 88 lone 0 59 - 1 - Peak 4630 from aronoe.peaks (6.22, 6.95, 130.77 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + QE PHE 88 OK 100 100 - 100 - 2.2=100 Peak 4631 from aronoe.peaks (6.95, 6.95, 130.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 88 + QE PHE 88 OK 100 100 - 100 QE PHE 70 + QE PHE 70 OK 48 48 - 100 Peak 4632 from aronoe.peaks (6.98, 6.95, 130.77 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 88 + QE PHE 88 OK 100 100 - 100 - 2.2=100 Peak 4633 from aronoe.peaks (6.22, 6.98, 128.63 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 88 + HZ PHE 88 OK 100 100 - 100 - 3.8=100 Peak 4634 from aronoe.peaks (6.95, 6.98, 128.63 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 88 + HZ PHE 88 OK 100 100 - 100 - 2.2=100 Peak 4635 from aronoe.peaks (6.98, 6.98, 128.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 88 + HZ PHE 88 OK 100 100 - 100 Peak 4636 from aronoe.peaks (4.77, 7.33, 131.48 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HA PHE 97 + QD PHE 97 OK 99 100 - 100 - 3.7=98, 2.9/1056=24...(11) HA GLN 19 - QD PHE 97 lone 7 97 - 8 - 6531/6537=2, 457/4.9=1 HA TYR 54 - QD PHE 97 lone 4 99 - 4 - Peak 4637 from aronoe.peaks (3.19, 7.33, 131.48 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 97 + QD PHE 97 OK 100 100 - 100 - 2.4=100 Peak 4638 from aronoe.peaks (2.88, 7.33, 131.48 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 97 + QD PHE 97 OK 100 100 - 100 - 2.4=100 Peak 4639 from aronoe.peaks (7.33, 7.33, 131.48 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 97 + QD PHE 97 OK 99 99 - 100 Peak 4640 from aronoe.peaks (7.17, 7.33, 131.48 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 97 + QD PHE 97 OK 100 100 - 100 - 2.2=100 Peak 4641 from aronoe.peaks (7.15, 7.33, 131.48 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.91: QE PHE 97 + QD PHE 97 OK 91 91 - 100 - 2.2=100 Reference assignment not found: HZ PHE 97 - QD PHE 97 Peak 4642 from aronoe.peaks (7.33, 7.17, 129.18 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 97 + QE PHE 97 OK 100 100 - 100 - 2.2=100 Peak 4643 from aronoe.peaks (7.17, 7.17, 129.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE PHE 97 + QE PHE 97 OK 100 100 - 100 HZ PHE 97 + HZ PHE 97 OK 51 51 - 100 Peak 4644 from aronoe.peaks (7.15, 7.17, 129.18 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: QE PHE 97 + QE PHE 97 OK 92 92 - 100 HZ PHE 97 + HZ PHE 97 OK 65 65 - 100 Reference assignment not found: HZ PHE 97 - QE PHE 97 Peak 4645 from aronoe.peaks (7.33, 7.15, 129.48 ppm; 2.75 A): 1 out of 1 assignment used, quality = 0.69: QD PHE 97 + QE PHE 97 OK 69 69 - 100 - 2.2=100 Reference assignment not found: QD PHE 97 - HZ PHE 97 Peak 4646 from aronoe.peaks (7.17, 7.15, 129.48 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HZ PHE 97 + HZ PHE 97 OK 89 89 - 100 QE PHE 97 + QE PHE 97 OK 69 69 - 100 Reference assignment not found: QE PHE 97 - HZ PHE 97 Peak 4647 from aronoe.peaks (7.15, 7.15, 129.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 97 + HZ PHE 97 OK 100 100 - 100 QE PHE 97 + QE PHE 97 OK 58 58 - 100 Peak 4648 from aronoe.peaks (8.92, 7.11, 131.48 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.98: H VAL 18 + QD PHE 17 OK 90 94 - 96 - 4.5=82, 33/3.7=32...(13) H SER 96 + QD PHE 17 OK 65 100 - 66 - 6931/4.5=25, 6938/2.4=24...(9) H ALA 66 + QD PHE 17 OK 53 100 - 53 - 6051/3.7=20, 6050/3.8=7...(15) H ASP 56 - QD PHE 17 OK 13 85 - 15 - 6051/3.7=4, 4055/2.4=2...(5) Peak 4649 from aronoe.peaks (5.40, 7.01, 131.29 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.89: HA PHE 17 + QE PHE 17 OK 89 97 - 91 - 5.6=63, 1331/2.2=45...(8) HA ASP 72 - QE PHE 17 lone 9 97 - 9 - 3.0/4650=3, ~6300=2, 6081/6067=1 Peak 4650 from aronoe.peaks (2.81, 7.01, 131.29 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.98: HB2 PHE 17 + QE PHE 17 OK 98 99 - 98 - 4.4=93, ~4538=26...(10) HB2 ASP 72 - QE PHE 17 lone 9 99 - 9 - 3.0/4649=2, 626/6.5=2 HB2 TYR 54 - QE PHE 17 lone 8 96 - 8 - 6017/4785=2, 6088/6067=1 HB3 TYR 33 - QE PHE 17 lone 2 100 - 2 - Peak 4651 from aronoe.peaks (2.73, 7.01, 131.29 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.83: HB3 PHE 17 + QE PHE 17 OK 83 83 - 100 - 4.4=100 Peak 4652 from aronoe.peaks (1.43, 7.11, 131.48 ppm; 3.90 A): 6 out of 11 assignments used, quality = 0.85: QG2 THR 67 + QD PHE 17 OK 57 71 - 80 - 6066=32, 3.2/6062=21...(13) HG2 LYS 63 + QD PHE 17 OK 28 99 - 28 - 4674/2.4=3, ~7209=3...(13) HG3 LYS 63 + QD PHE 17 OK 28 99 - 28 - 4674/2.4=3, ~7209=3...(13) HG3 LYS 61 + QD PHE 17 OK 14 99 - 14 - 3.0/4792=3, 4653/2.2=2...(6) HG2 LYS 61 + QD PHE 17 OK 14 99 - 14 - 3.0/4792=3, 4653/2.2=2...(6) HG13 ILE 51 + QD PHE 17 OK 11 99 - 11 - 4674/2.4=1, 4653/2.2=1...(6) HG12 ILE 80 - QD PHE 17 poor 9 71 - 13 - 4665/3.7=2, 4673/4.5=2...(6) HG3 LYS 94 - QD PHE 17 lone 7 93 - 7 - 4653/2.2=1 HD3 LYS 86 - QD PHE 17 lone 4 99 - 4 - QB ALA 78 - QD PHE 17 lone 3 60 - 6 - 6368/6388=2 HG3 LYS 45 - QD PHE 17 lone 1 71 - 2 - Peak 4653 from aronoe.peaks (1.44, 7.01, 131.29 ppm; 4.58 A): 8 out of 11 assignments used, quality = 0.94: QG2 THR 67 + QE PHE 17 OK 80 92 - 87 - 6066/2.2=43, ~6062=18...(11) HG2 LYS 63 + QE PHE 17 OK 23 100 - 23 - 4652/2.2=6, ~4652=5...(6) HG3 LYS 63 + QE PHE 17 OK 23 100 - 23 - 4652/2.2=6, ~4652=5...(6) HG3 LYS 61 + QE PHE 17 OK 17 90 - 19 - 4652/2.2=3, 3.0/4786=3...(9) HG2 LYS 61 + QE PHE 17 OK 16 89 - 18 - 4652/2.2=3, 3.0/4786=3...(8) HG12 ILE 80 + QE PHE 17 OK 14 92 - 15 - 4678/2.2=3, 4665/5.6=2...(6) HB ILE 51 + QE PHE 17 OK 11 83 - 13 - 4678/2.2=3, 4676/4.4=2...(7) HG13 ILE 51 + QE PHE 17 OK 10 100 - 10 - 4652/2.2=3, ~4678=2...(5) HG3 LYS 94 - QE PHE 17 lone 10 100 - 10 - 4652/2.2=2, 2.9/7064=2...(4) QB ALA 31 - QE PHE 17 lone 4 68 - 6 - 4678/2.2=1 HD3 LYS 86 - QE PHE 17 lone 3 90 - 4 - 4652/2.2=1 Peak 4654 from aronoe.peaks (0.84, 5.85, 132.41 ppm; 4.02 A): 2 out of 8 assignments used, quality = 0.97: QG1 VAL 30 + QD TYR 33 OK 83 100 - 83 - 3.2/5056=22, ~4427=14...(22) QG2 VAL 30 + QD TYR 33 OK 80 97 - 83 - 3.2/5056=22, ~4427=14...(24) QG2 VAL 25 - QD TYR 33 OK 32 85 - 37 - 2.1/4855=7, ~5161=7...(12) QG2 ILE 37 - QD TYR 33 OK 24 96 - 25 - 5169/2.5=3, 5170/2.5=3...(11) QG2 ILE 80 - QD TYR 33 OK 18 99 - 18 - 5192/4.6=2, 5164/4.5=2...(9) QG2 ILE 16 - QD TYR 33 OK 14 99 - 14 - 4682/4820=2, 5170/2.5=1...(6) QD2 LEU 62 - QD TYR 33 OK 14 100 - 14 - 4258/4.6=3, 5169/2.5=2...(4) QG2 ILE 40 - QD TYR 33 OK 13 81 - 16 - 3.3/4855=4, ~4673=2...(6) Peak 4656 from aronoe.peaks (6.87, 5.85, 132.41 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.97: QE PHE 34 + QD TYR 33 OK 91 100 - 91 - 4815=31, 2.2/4820=29...(22) HZ PHE 34 + QD TYR 33 OK 69 90 - 77 - 2.2/4815=27, 3.8/4820=21...(14) QE TYR 54 - QD TYR 33 lone 4 68 - 6 - 5181/4.6=2, 7179/2.5=2 Peak 4657 from aronoe.peaks (7.41, 5.85, 132.41 ppm; 4.02 A): 3 out of 4 assignments used, quality = 0.94: QD PHE 34 + QD TYR 33 OK 90 93 - 96 - 4820=43, 4794/2.5=32...(22) H THR 46 + QD TYR 33 OK 30 99 - 30 - 4663/2.2=6, ~4666=6...(7) H ALA 76 + QD TYR 33 OK 10 60 - 17 - 5146/2.5=4, 5141/2.5=3...(6) HE3 TRP 82 - QD TYR 33 lone 3 73 - 4 - 4663/2.2=1, 4725/2.5=1 Peak 4659 from aronoe.peaks (6.96, 5.85, 132.41 ppm; 3.81 A): 4 out of 7 assignments used, quality = 0.98: QE PHE 88 + QD TYR 33 OK 78 98 - 79 - 2.2/6701=30, 4745/2.5=21...(16) HZ PHE 88 + QD TYR 33 OK 60 78 - 76 - 3.8/6701=21, 2.2/4811=16...(18) HZ PHE 83 + QD TYR 33 OK 59 97 - 60 - 4841/2.2=22, ~4817=9...(16) QE PHE 83 + QD TYR 33 OK 46 68 - 67 - ~4841=13, ~5158=10...(19) QE PHE 70 - QD TYR 33 OK 33 97 - 34 - 4745/2.5=5, 7129=5...(10) HE22 GLN 48 - QD TYR 33 lone 7 81 - 8 - HD21 ASN 52 - QD TYR 33 lone 2 63 - 4 - Peak 4660 from aronoe.peaks (7.53, 5.85, 132.41 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.98: H TYR 33 + QD TYR 33 OK 96 100 - 96 - 4.5=62, 711/2.5=37...(16) QD PHE 83 + QD TYR 33 OK 50 68 - 73 - 4664/2.2=15, ~5156=12...(21) H GLN 36 - QD TYR 33 OK 20 68 - 29 - 6.7/7173=6, 1171/3.7=5...(7) Peak 4661 from aronoe.peaks (6.88, 6.22, 119.06 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.97: QE PHE 34 + QE TYR 33 OK 87 100 - 87 - 4815/2.2=28, 4847=23...(25) HZ PHE 34 + QE TYR 33 OK 73 96 - 76 - 2.2/4847=18, ~4815=17...(20) Peak 4662 from aronoe.peaks (6.95, 6.22, 119.06 ppm; 3.94 A): 3 out of 5 assignments used, quality = 0.95: QE PHE 88 + QE TYR 33 OK 76 100 - 76 - 4811/2.2=21, ~6701=20...(18) HZ PHE 83 + QE TYR 33 OK 68 100 - 69 - 4841=31, 2.2/4817=14...(12) HZ PHE 88 + QE TYR 33 OK 35 65 - 53 - ~4811=14, ~7129=11...(14) QE PHE 70 - QE TYR 33 OK 21 92 - 23 - 4811/2.2=6, 4745/4.4=4...(7) HE22 GLN 48 - QE TYR 33 lone 4 68 - 6 - Peak 4663 from aronoe.peaks (7.40, 6.22, 119.06 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.79: QD PHE 34 + QE TYR 33 OK 70 73 - 95 - 4820/2.2=33, ~4815=31...(19) H THR 46 + QE TYR 33 OK 31 87 - 35 - 2.9/4666=14, 4657/2.2=10...(5) HE3 TRP 82 - QE TYR 33 lone 6 93 - 6 - 4813/5158=2, 4725/4.4=2 Peak 4664 from aronoe.peaks (7.54, 6.22, 119.06 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.89: H TYR 33 + QE TYR 33 OK 78 99 - 79 - 715/2.2=30, 711/4.4=20...(12) QD PHE 83 + QE TYR 33 OK 53 80 - 66 - 2.4/5156=17, 3.8/4841=14...(14) Peak 4665 from aronoe.peaks (7.98, 5.85, 132.41 ppm; 4.02 A): 2 out of 6 assignments used, quality = 0.99: H PHE 34 + QD TYR 33 OK 96 100 - 97 - 4.6=68, 119/2.5=39...(13) H VAL 30 + QD TYR 33 OK 72 97 - 74 - 3.0/5056=23, ~4427=15...(13) H GLY 22 - QD TYR 33 OK 13 92 - 14 - 3.6/4670=3, 4118/2.5=2...(5) H LYS 63 - QD TYR 33 OK 11 92 - 12 - 4118/2.5=4, 4117/2.5=3 H LYS 86 - QD TYR 33 lone 5 60 - 9 - 6658/6814=3, ~4666=2, ~5155=1 H ASP 81 - QD TYR 33 lone 5 71 - 7 - 3.0/4671=2, 4.4/4654=1 Peak 4666 from aronoe.peaks (4.47, 6.22, 119.06 ppm; 3.87 A): 0 out of 4 assignments used, low quality = 0.34: HA PHE 88 - QE TYR 33 OK 23 96 - 23 - 3.0/4672=11, 5.6/4662=5...(6) HA THR 46 - QE TYR 33 OK 15 100 - 15 - 2.9/4663=6, ~4657=4...(4) HA ASP 84 - QE TYR 33 lone 5 94 - 5 - 6635/6915=3 HA LYS 86 - QE TYR 33 lone 4 98 - 4 - 6817/5161=2 Peak 4667 from aronoe.peaks (3.45, 6.22, 119.06 ppm; 4.22 A): 3 out of 5 assignments used, quality = 0.69: HB2 PHE 83 + QE TYR 33 OK 40 68 - 59 - 2.4/5158=19, 1.8/6595=15...(10) HB3 PHE 83 + QE TYR 33 OK 35 60 - 58 - 2.4/5158=19, 1.8/6598=16...(10) HB2 SER 89 + QE TYR 33 OK 20 99 - 20 - 6728=10, 1.8/6733=5, 6729/4662=2 HD3 PRO 74 - QE TYR 33 lone 4 88 - 5 - ~4670=1 HB2 PHE 70 - QE TYR 33 lone 4 85 - 5 - 4.4/4662=2 Peak 4668 from aronoe.peaks (3.09, 6.22, 119.06 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 33 + QE TYR 33 OK 100 100 - 100 - 4.4=100 Peak 4669 from aronoe.peaks (2.81, 6.22, 119.06 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: HB3 TYR 33 + QE TYR 33 OK 100 100 - 100 - 4.4=100 Peak 4670 from aronoe.peaks (3.72, 5.85, 132.41 ppm; 4.56 A): 3 out of 7 assignments used, quality = 0.71: HA VAL 30 + QD TYR 33 OK 58 65 - 88 - 5056=25, 4427/2.5=22...(23) HA2 GLY 64 + QD TYR 33 OK 21 71 - 29 - 4428/2.5=6, 4426/2.5=5...(9) HA LEU 21 + QD TYR 33 OK 13 60 - 22 - 4780/2.2=6, 6708/6701=6...(6) HA2 GLY 20 - QD TYR 33 poor 10 89 - 11 - 1163/4.6=3, 4428/2.5=2...(4) HB THR 42 - QD TYR 33 lone 9 96 - 10 - 1157/4.5=2, 4426/2.5=2...(4) HD2 PRO 74 - QD TYR 33 lone 5 60 - 9 - ~5156=2, 6837/6814=1...(4) HB2 SER 69 - QD TYR 33 lone 3 87 - 4 - 6708/6701=1 Peak 4671 from aronoe.peaks (4.32, 5.85, 132.41 ppm; 4.31 A): 3 out of 4 assignments used, quality = 0.93: HA PHE 34 + QD TYR 33 OK 84 92 - 91 - 5184=41, 3.0/123=35...(13) HA ASP 32 + QD TYR 33 OK 49 92 - 54 - 3.6/715=30, 1160/4.6=17...(6) HA ASP 81 + QD TYR 33 OK 13 100 - 13 - 1160/4.6=5, ~5168=2...(4) HB THR 59 - QD TYR 33 lone 3 99 - 3 - 1160/4.6=1 Peak 4672 from aronoe.peaks (2.17, 6.22, 119.06 ppm; 4.63 A): 2 out of 10 assignments used, quality = 0.81: HB2 PHE 88 + QE TYR 33 OK 66 98 - 67 - ~6701=26, ~4814=24...(9) HB VAL 30 + QE TYR 33 OK 44 73 - 60 - ~5056=20, 3.0/5057=16...(9) HB3 PRO 92 - QE TYR 33 lone 5 100 - 5 - 6842/5161=1, 6833/5162=1 HB2 PRO 73 - QE TYR 33 lone 5 100 - 4 - 3.8/5156=2 HG3 PRO 92 - QE TYR 33 lone 4 100 - 4 - 6842/5161=1 HB3 LYS 35 - QE TYR 33 lone 3 98 - 3 - HG3 GLU 87 - QE TYR 33 lone 3 60 - 5 - 6688/4666=2 HB3 GLN 48 - QE TYR 33 lone 3 65 - 4 - HG2 GLU 65 - QE TYR 33 lone 2 73 - 3 - HB3 GLU 58 - QE TYR 33 lone 1 95 - 1 - Peak 4673 from aronoe.peaks (0.77, 6.22, 119.06 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.60: QD1 ILE 93 + QE TYR 33 OK 51 92 - 56 - 6813=20, 6814/2.2=16...(14) QG1 VAL 25 + QE TYR 33 OK 18 85 - 22 - 4855/2.2=5, 4890=4...(6) QD1 ILE 40 - QE TYR 33 poor 9 73 - 13 - 4855/2.2=4, 5401/6.5=2...(4) QD1 LEU 53 - QE TYR 33 lone 9 100 - 9 - 4855/2.2=3 Peak 4675 from aronoe.peaks (6.96, 7.43, 131.91 ppm; 3.59 A): 4 out of 7 assignments used, quality = 0.97: QE PHE 70 + QD PHE 34 OK 81 99 - 82 - 2.2/4856=31, ~4846=19...(21) QE PHE 83 + QD PHE 34 OK 48 78 - 61 - 2.2/4676=16, ~4731=9...(18) QE PHE 88 + QD PHE 34 OK 47 94 - 49 - 2.2/4819=9, ~4847=6...(19) HZ PHE 83 + QD PHE 34 OK 43 93 - 47 - 4804/3.7=11, 3.8/4676=11...(15) HZ PHE 88 - QD PHE 34 OK 28 87 - 32 - 3.8/4819=7, 4850/5060=3...(10) HE22 GLN 48 - QD PHE 34 lone 8 89 - 8 - HD21 ASN 52 - QD PHE 34 lone 5 73 - 7 - Peak 4676 from aronoe.peaks (7.54, 7.43, 131.91 ppm; 3.48 A): 2 out of 2 assignments used, quality = 0.86: H TYR 33 + QD PHE 34 OK 66 97 - 68 - 4.0/4794=17, 4.5/4820=15...(13) QD PHE 83 + QD PHE 34 OK 59 89 - 66 - 4678/2.2=13, 4813=12...(23) Peak 4677 from aronoe.peaks (7.97, 7.43, 131.91 ppm; 3.59 A): 4 out of 7 assignments used, quality = 0.95: H PHE 34 + QD PHE 34 OK 83 90 - 92 - 4.5=50, 3.0/1743=26...(17) H VAL 30 + QD PHE 34 OK 57 100 - 58 - 3.0/5060=16, 3.9/5070=13...(16) H ASP 81 + QD PHE 34 OK 14 93 - 15 - 3.0/4548=3, 4.6/5178=3...(4) H ASP 84 + QD PHE 34 OK 13 85 - 15 - 4.6/4676=8, 986/2.4=2, 388/2.4=1 H GLY 22 - QD PHE 34 poor 9 68 - 13 - 1744/2.4=2, 1752/2.4=2...(4) H LYS 63 - QD PHE 34 poor 8 68 - 11 - 124/4.3=3, 1752/2.4=2 HE21 GLN 19 - QD PHE 34 lone 2 81 - 2 - Peak 4678 from aronoe.peaks (7.54, 6.88, 130.25 ppm; 3.95 A): 3 out of 3 assignments used, quality = 0.91: QD PHE 83 + QE PHE 34 OK 73 90 - 81 - 4731=22, 4676/2.2=19...(19) H TYR 33 + QE PHE 34 OK 59 96 - 61 - 4676/2.2=21, 4.5/4815=18...(9) H ILE 80 + QE PHE 34 OK 18 57 - 32 - 4.6/4692=7, 5178/2.2=5...(11) Peak 4679 from aronoe.peaks (3.43, 6.88, 130.25 ppm; 3.96 A): 2 out of 5 assignments used, quality = 0.96: HB2 PHE 83 + QE PHE 34 OK 81 100 - 81 - 6597=19, 2.4/4731=17...(19) HB2 PHE 34 + QE PHE 34 OK 80 93 - 86 - 4.4=72, ~4548=16...(11) HA ILE 80 - QE PHE 34 OK 40 95 - 43 - 4.2/4692=8, 6514/4.4=4...(19) HB2 PHE 70 - QE PHE 34 OK 22 99 - 22 - 5.8/4846=15, 4608/4632=1 HB2 SER 89 - QE PHE 34 lone 5 83 - 6 - 6728/4847=3, 6728/4847=1 Peak 4680 from aronoe.peaks (3.74, 7.43, 131.91 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.92: HA VAL 30 + QD PHE 34 OK 88 99 - 89 - 5060=35, 3.2/5070=21...(26) HA2 GLY 64 + QD PHE 34 OK 18 100 - 18 - 5979/4.5=5, 4428/4794=3...(7) HA2 GLY 20 + QD PHE 34 OK 14 100 - 14 - 1163/4.5=3, 4770/4.3=3...(4) HB THR 42 - QD PHE 34 lone 7 98 - 8 - 1163/4.5=2, 1157/4676=1 HA2 GLY 60 - QD PHE 34 lone 3 68 - 4 - 1.8/5573=1 Peak 4681 from aronoe.peaks (1.65, 7.43, 131.91 ppm; 3.59 A): 5 out of 11 assignments used, quality = 0.95: HB VAL 18 + QD PHE 34 OK 66 97 - 68 - ~4690=18, ~5211=16...(17) HG12 ILE 40 + QD PHE 34 OK 64 99 - 65 - 2.1/5402=19, ~5202=11...(20) QB ALA 79 + QD PHE 34 OK 44 83 - 54 - 6463=15, 2.1/6466=8...(17) HG12 ILE 27 + QD PHE 34 OK 15 97 - 15 - 4686/2.2=2, ~4688=2...(5) HB2 MET 50 + QD PHE 34 OK 12 100 - 12 - 5677/4680=2, 4686/2.2=1 HG3 GLN 19 - QD PHE 34 lone 4 100 - 4 - HD2 LYS 41 - QD PHE 34 lone 4 78 - 5 - HD3 LYS 41 - QD PHE 34 lone 4 78 - 5 - HB3 LYS 61 - QD PHE 34 lone 4 97 - 4 - HD3 LYS 94 - QD PHE 34 lone 3 60 - 4 - HD2 LYS 94 - QD PHE 34 lone 3 60 - 4 - Peak 4682 from aronoe.peaks (0.84, 7.43, 131.91 ppm; 2.80 A): 5 out of 8 assignments used, quality = 0.94: QG1 VAL 30 + QD PHE 34 OK 58 100 - 59 - 5070=15, 5068/2.2=9...(21) QG2 VAL 30 + QD PHE 34 OK 53 97 - 55 - 2.1/5070=13, 3.2/5060=8...(21) QG2 ILE 16 + QD PHE 34 OK 40 99 - 40 - 3.1/4635=7, 7203/3.8=5...(16) QG2 ILE 40 + QD PHE 34 OK 31 81 - 38 - 3.3/5402=9, 5451/4685=5...(17) QG2 ILE 37 + QD PHE 34 OK 29 96 - 30 - 7203/3.8=5, 5302=4...(12) QG2 ILE 80 - QD PHE 34 OK 28 99 - 28 - 6518/2.4=4, 3367/2.4=4...(11) QG2 VAL 25 - QD PHE 34 OK 18 85 - 21 - 5070=4, ~4833=3...(6) QD2 LEU 62 - QD PHE 34 OK 12 100 - 12 - 5967/4.3=2, 4258/4.5=1 Peak 4683 from aronoe.peaks (0.74, 7.43, 131.91 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.95: QD1 ILE 40 + QD PHE 34 OK 84 98 - 86 - 5402=28, 5202/2.4=22...(27) QG2 ILE 93 + QD PHE 34 OK 51 85 - 60 - 6805/2.2=10, ~4833=9...(17) QG2 ILE 51 + QD PHE 34 OK 32 78 - 40 - 3.2/5712=12, 5754/4685=7...(11) QD1 LEU 53 - QD PHE 34 OK 19 60 - 31 - 5202/2.4=6, 5193/4.5=5...(7) Peak 4684 from aronoe.peaks (0.27, 7.43, 131.91 ppm; 3.57 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 21 + QD PHE 34 OK 64 97 - 66 - 4691/2.2=13, ~4692=10...(23) QD1 ILE 16 + QD PHE 34 OK 63 93 - 67 - 4632/2.2=21, 4635=16...(19) QG2 VAL 68 + QD PHE 34 OK 56 71 - 79 - 2.1/4685=27, 6152=17...(19) Peak 4685 from aronoe.peaks (0.01, 7.43, 131.91 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.95: QG1 VAL 68 + QD PHE 34 OK 95 100 - 95 - 5220/2.4=31, 5218/2.4=31...(24) Peak 4686 from aronoe.peaks (1.65, 6.88, 130.25 ppm; 4.02 A): 3 out of 11 assignments used, quality = 0.96: HB VAL 18 + QE PHE 34 OK 85 97 - 88 - 2.1/4690=38, ~4830=23...(23) HG12 ILE 40 + QE PHE 34 OK 54 99 - 55 - ~5402=15, 4681/2.2=11...(16) QB ALA 79 + QE PHE 34 OK 42 83 - 51 - 6463/2.2=13, 6492/4690=8...(18) HG12 ILE 27 - QE PHE 34 OK 20 97 - 21 - 2.1/4688=5, 3.8/5212=3...(5) HB2 MET 50 - QE PHE 34 OK 11 100 - 11 - 4681/2.2=2, 4825/2.2=1 HG3 GLN 19 - QE PHE 34 lone 6 100 - 6 - HB3 LYS 61 - QE PHE 34 lone 4 97 - 4 - HD2 LYS 41 - QE PHE 34 lone 4 78 - 5 - HD3 LYS 41 - QE PHE 34 lone 4 78 - 5 - HD3 LYS 94 - QE PHE 34 lone 3 60 - 5 - HD2 LYS 94 - QE PHE 34 lone 3 60 - 5 - Peak 4687 from aronoe.peaks (1.08, 6.88, 130.25 ppm; 4.21 A): 2 out of 3 assignments used, quality = 0.90: QG2 VAL 95 + QE PHE 34 OK 72 90 - 80 - 6916/2.2=20, 2.1/4688=20...(23) HG LEU 21 + QE PHE 34 OK 65 83 - 79 - 2.1/4692=21, 4826/2.2=17...(20) QG2 THR 99 - QE PHE 34 lone 4 100 - 4 - Peak 4688 from aronoe.peaks (0.96, 6.88, 130.25 ppm; 4.12 A): 3 out of 3 assignments used, quality = 0.83: QG1 VAL 95 + QE PHE 34 OK 67 90 - 74 - 2.1/6916=20, 6918=17...(20) QB ALA 66 + QE PHE 34 OK 39 100 - 39 - 4827/2.2=8, 6918=5...(13) QD1 ILE 27 + QE PHE 34 OK 18 90 - 20 - 4827/2.2=3, 4.2/5212=3...(7) Peak 4689 from aronoe.peaks (0.85, 6.88, 130.25 ppm; 3.16 A): 3 out of 9 assignments used, quality = 0.95: QG1 VAL 18 + QE PHE 34 OK 66 90 - 73 - 2.1/4690=24, 4690=19...(16) QG2 VAL 30 + QE PHE 34 OK 63 99 - 63 - 2.1/5068=12, ~5070=9...(22) QG1 VAL 30 + QE PHE 34 OK 63 95 - 66 - 5068=15, 5070/2.2=15...(21) QG2 ILE 16 - QE PHE 34 OK 34 73 - 46 - 3.1/4632=11, 7203/2.2=10...(12) QG2 ILE 37 - QE PHE 34 OK 31 100 - 31 - 7203/2.2=11, 5302/2.2=6...(9) QG2 ILE 80 - QE PHE 34 OK 30 97 - 31 - 3.0/4692=6, 6518/4.4=3...(12) QD1 ILE 51 - QE PHE 34 OK 19 87 - 22 - 5712/2.2=7, 5739/4.4=3...(7) QD2 LEU 62 - QE PHE 34 poor 10 90 - 10 - 5066/2.2=1, 2.1/5208=1, 5063=1 QG2 THR 42 - QE PHE 34 lone 2 81 - 2 - Peak 4690 from aronoe.peaks (0.67, 6.88, 130.25 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 18 + QE PHE 34 OK 85 100 - 85 - 4830/2.2=32, 4694=25...(21) Peak 4691 from aronoe.peaks (0.27, 6.88, 130.25 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.96: QD1 LEU 21 + QE PHE 34 OK 75 99 - 76 - 2.1/4692=16, 2.1/4687=13...(25) QD1 ILE 16 + QE PHE 34 OK 61 89 - 69 - 4632=23, 4635/2.2=13...(22) QG2 VAL 68 + QE PHE 34 OK 54 78 - 69 - ~4685=17, 6152/2.2=17...(17) Peak 4692 from aronoe.peaks (-0.19, 6.88, 130.25 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 21 + QE PHE 34 OK 88 100 - 88 - 4777=26, 4832/2.2=20...(25) QD1 ILE 80 + QE PHE 34 OK 55 98 - 56 - 4832/2.2=11, 4727/4690=6...(24) Peak 4693 from aronoe.peaks (7.63, 7.17, 132.12 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.92: H TYR 54 + QD TYR 54 OK 92 95 - 96 - 4.6=77, 840/2.5=34...(10) H GLN 48 - QD TYR 54 lone 5 68 - 8 - 2620/2.2=2, 3.0/4697=2 HD22 ASN 24 - QD TYR 54 lone 4 100 - 4 - 2620/2.2=2 HD21 ASN 43 - QD TYR 54 lone 3 83 - 4 - 2620/2.2=1 HE22 GLN 36 - QD TYR 54 lone 2 100 - 2 - Peak 4694 from aronoe.peaks (8.43, 7.17, 132.12 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.90: H THR 67 + QD TYR 54 OK 90 100 - 90 - 3.6/4698=36, 6060=34...(13) H GLY 60 - QD TYR 54 lone 8 98 - 8 - 5851/2.2=3 H ASP 71 - QD TYR 54 lone 6 71 - 8 - 3.9/4701=2, 5851/2.2=2 H GLY 90 - QD TYR 54 lone 5 98 - 5 - 5851/2.2=1 H THR 15 - QD TYR 54 lone 5 57 - 8 - ~4699=3, 3026/6069=2 Peak 4695 from aronoe.peaks (8.89, 7.17, 132.12 ppm; 5.17 A): 0 out of 2 assignments used, low quality = 0.40: H PHE 97 - QD TYR 54 OK 28 100 - 28 - 3.6/4697=10, 2.9/4560=6...(8) H MET 50 - QD TYR 54 OK 17 97 - 18 - 3.8/5630=14 Peak 4696 from aronoe.peaks (8.42, 6.85, 118.20 ppm; 4.13 A): 1 out of 6 assignments used, quality = 0.84: H THR 67 + QE TYR 54 OK 84 99 - 85 - 6061=33, 4694/2.2=24...(11) H ASN 24 - QE TYR 54 poor 7 57 - 12 - 3.6/4853=3, 2.9/4083=3...(4) H GLY 60 - QE TYR 54 lone 6 95 - 6 - 4694/2.2=2 H ASP 71 - QE TYR 54 lone 4 57 - 6 - 4694/2.2=2, 3.9/4700=1 H GLY 90 - QE TYR 54 lone 3 93 - 3 - 4694/2.2=1 H ASN 14 - QE TYR 54 lone 1 57 - 1 - Peak 4697 from aronoe.peaks (4.69, 7.17, 132.12 ppm; 4.12 A): 2 out of 6 assignments used, quality = 0.59: HA LEU 53 + QD TYR 54 OK 47 96 - 49 - 3.6/845=26, 7150/4698=14...(6) HA SER 96 + QD TYR 54 OK 23 99 - 23 - 3.6/4695=12, ~6938=2...(7) HA GLU 87 - QD TYR 54 lone 6 96 - 6 - HA THR 26 - QD TYR 54 lone 5 62 - 9 - ~78=2, 242/4.6=2...(4) HB THR 26 - QD TYR 54 lone 5 99 - 5 - 242/4.6=1, 2575/5785=1 HA GLN 48 - QD TYR 54 lone 5 80 - 6 - 3.0/4693=2, 3.0/4704=1, ~2620=1 Peak 4698 from aronoe.peaks (5.59, 7.17, 132.12 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.75: HA ALA 66 + QD TYR 54 OK 75 100 - 76 - 6044=21, 5847/2.2=19...(18) Peak 4699 from aronoe.peaks (5.56, 6.85, 118.20 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.49: HA ALA 66 + QE TYR 54 OK 49 65 - 75 - 5846/2.2=20, 3.6/4696=19...(14) HA THR 15 - QE TYR 54 poor 9 76 - 11 - 6082/6068=8 Peak 4700 from aronoe.peaks (2.58, 6.85, 118.20 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.75: HB2 ASN 52 + QE TYR 54 OK 50 99 - 51 - 5777=15, 1.8/5777=13...(10) HB3 ASN 52 + QE TYR 54 OK 49 97 - 50 - 5777=15, 1.8/5777=13...(10) HB2 ASP 71 - QE TYR 54 lone 5 100 - 5 - 4701/2.2=1 Peak 4701 from aronoe.peaks (2.58, 7.17, 132.12 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.89: HB2 ASN 52 + QD TYR 54 OK 68 94 - 72 - 4700/2.2=22, 5778=17...(10) HB3 ASN 52 + QD TYR 54 OK 65 90 - 73 - 4700/2.2=22, 5778=17...(10) HB2 ASP 71 - QD TYR 54 lone 10 98 - 10 - 5829/2.2=2, 3.9/4694=1 Peak 4702 from aronoe.peaks (2.16, 7.17, 132.12 ppm; 4.39 A): 2 out of 9 assignments used, quality = 0.54: HG3 GLU 65 + QD TYR 54 OK 33 62 - 53 - 3.0/4704=13, 3.0/4703=10...(11) HG2 GLU 65 + QD TYR 54 OK 32 62 - 52 - 3.0/4704=13, 3.0/4703=10...(11) HB2 PRO 73 - QD TYR 54 lone 6 100 - 6 - 2.3/4703=2, ~6325=1 HB VAL 30 - QD TYR 54 lone 5 62 - 8 - ~5063=1, 5804/5785=1, ~5058=1 HB3 PRO 92 - QD TYR 54 lone 3 100 - 3 - 4.1/5850=1 HB2 PHE 88 - QD TYR 54 lone 2 94 - 3 - HG3 PRO 92 - QD TYR 54 lone 2 98 - 2 - HB3 LYS 35 - QD TYR 54 lone 2 100 - 2 - HB3 GLU 58 - QD TYR 54 lone 1 98 - 1 - Peak 4703 from aronoe.peaks (1.96, 7.17, 132.12 ppm; 3.93 A): 5 out of 10 assignments used, quality = 0.83: HB2 GLU 65 + QD TYR 54 OK 47 92 - 52 - 1.8/4704=14, 6017/2.5=12...(8) HB2 LYS 77 + QD TYR 54 OK 41 90 - 46 - 1.8/6412=7, 2.9/4866=6...(12) HG3 PRO 74 + QD TYR 54 OK 22 78 - 29 - 2.3/4704=6, 5841/2.5=4...(9) HB VAL 95 + QD TYR 54 OK 16 90 - 18 - 2.1/4706=7, ~4708=3...(8) HG3 PRO 49 + QD TYR 54 OK 14 78 - 18 - 2.3/5630=9, ~5838=2...(7) HG3 PRO 73 - QD TYR 54 lone 6 95 - 6 - 2.3/4702=2 HB2 LYS 45 - QD TYR 54 lone 4 95 - 4 - HB3 LYS 45 - QD TYR 54 lone 4 95 - 4 - HG2 GLN 19 - QD TYR 54 lone 4 94 - 4 - HB3 GLU 28 - QD TYR 54 lone 3 90 - 3 - Peak 4704 from aronoe.peaks (1.82, 7.17, 132.12 ppm; 3.82 A): 4 out of 9 assignments used, quality = 0.76: HB3 GLU 65 + QD TYR 54 OK 50 100 - 50 - 1.8/4703=10, ~6017=9...(9) HB2 PRO 74 + QD TYR 54 OK 24 93 - 26 - 5836/2.5=5, 2.3/4703=4...(10) HB2 LYS 61 + QD TYR 54 OK 23 92 - 25 - 5836/2.5=5, 5842/2.5=3...(12) HB2 LYS 94 + QD TYR 54 OK 18 100 - 18 - 5836/2.5=3, 5842/2.5=2...(8) HG LEU 62 - QD TYR 54 lone 7 95 - 7 - ~5963=3, 2.1/4706=2 HB2 GLN 48 - QD TYR 54 lone 6 88 - 6 - 3.0/4697=1, 3.8/4693=1 HB ILE 39 - QD TYR 54 lone 4 100 - 4 - HG2 GLU 87 - QD TYR 54 lone 3 76 - 4 - 3.8/4697=1 HB ILE 93 - QD TYR 54 lone 3 92 - 3 - Peak 4705 from aronoe.peaks (1.44, 7.17, 132.12 ppm; 4.05 A): 3 out of 11 assignments used, quality = 0.99: HG2 LYS 63 + QD TYR 54 OK 86 100 - 86 - ~7108=14, ~7210=14...(28) HG3 LYS 63 + QD TYR 54 OK 86 100 - 86 - ~7108=14, ~7210=14...(28) QG2 THR 67 + QD TYR 54 OK 68 90 - 76 - 6069=32, 6068/2.2=29...(12) HG3 LYS 61 - QD TYR 54 OK 36 92 - 39 - 3.0/4704=5, 7109/2.5=4...(20) HG2 LYS 61 - QD TYR 54 OK 35 90 - 39 - 3.0/4704=5, 7109/2.5=4...(20) HG3 LYS 94 - QD TYR 54 OK 22 100 - 22 - 2.9/4704=4, ~5836=2...(10) HG12 ILE 80 - QD TYR 54 OK 16 90 - 17 - 2.1/6538=4, 6503/4706=2...(7) HG13 ILE 51 - QD TYR 54 OK 12 100 - 12 - 4707/2.2=2, 6680/4695=1 HB ILE 51 - QD TYR 54 OK 10 80 - 13 - 6023/4698=2, 5830/2.2=2 QB ALA 31 - QD TYR 54 lone 4 65 - 6 - 5830/2.2=1, 5093/5630=1 HD3 LYS 86 - QD TYR 54 lone 3 92 - 3 - Peak 4706 from aronoe.peaks (0.97, 7.17, 132.12 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.93: QB ALA 66 + QD TYR 54 OK 88 97 - 91 - 2.1/4698=44, ~5847=22...(19) QG1 VAL 95 + QD TYR 54 OK 30 97 - 31 - 5828/4.6=5, 4708/2.2=4...(11) QD1 ILE 27 + QD TYR 54 OK 15 78 - 20 - 4980/5785=4, 4708/2.2=4...(5) QD1 LEU 62 - QD TYR 54 poor 10 60 - 16 - 5828/4.6=5, 5963/2.2=3...(5) Peak 4707 from aronoe.peaks (1.44, 6.85, 118.20 ppm; 3.33 A): 5 out of 11 assignments used, quality = 0.84: QG2 THR 67 + QE TYR 54 OK 57 90 - 63 - 6068=34, 6069/2.2=15...(10) HG2 LYS 63 + QE TYR 54 OK 32 100 - 32 - 4705/2.2=5, 7109/4.4=4...(11) HG3 LYS 63 + QE TYR 54 OK 32 100 - 32 - 4705/2.2=5, 7109/4.4=4...(11) HG3 LYS 61 + QE TYR 54 OK 11 92 - 13 - 4705/2.2=2, ~4704=2...(6) HG2 LYS 61 + QE TYR 54 OK 11 90 - 12 - 4705/2.2=2, ~4704=2...(6) HG3 LYS 94 - QE TYR 54 lone 7 100 - 7 - ~4704=2, 4705/2.2=1, ~5834=1 HG12 ILE 80 - QE TYR 54 lone 6 90 - 7 - ~6538=2 HG13 ILE 51 - QE TYR 54 lone 6 100 - 6 - HB ILE 51 - QE TYR 54 lone 6 81 - 7 - 905/4696=1 QB ALA 31 - QE TYR 54 lone 3 65 - 4 - HD3 LYS 86 - QE TYR 54 lone 1 92 - 1 - Peak 4708 from aronoe.peaks (0.95, 6.85, 118.20 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.93: QB ALA 66 + QE TYR 54 OK 93 99 - 93 - 2.1/4699=37, ~4698=31...(17) QG1 VAL 95 - QE TYR 54 OK 22 68 - 32 - 4706/2.2=7, 6046=4...(14) QD1 ILE 27 - QE TYR 54 OK 19 99 - 19 - 4980/5786=4, 4706/2.2=3...(7) QG2 ILE 27 - QE TYR 54 lone 5 68 - 8 - ~4706=2, 4968/5786=2 Peak 4709 from aronoe.peaks (8.93, 7.05, 131.42 ppm; 4.47 A): 3 out of 5 assignments used, quality = 0.67: H PHE 70 + QD PHE 70 OK 56 57 - 98 - 4.6=94, 4.6/330=22...(12) H VAL 18 + QD PHE 70 OK 14 100 - 14 - 4646/4634=3, 6177/6161=2...(6) H ALA 66 + QD PHE 70 OK 13 96 - 13 - 3.6/6008=2, 6050=2...(5) H SER 96 - QD PHE 70 lone 9 100 - 9 - 6946/4634=4, 5320/4625=2 H ASP 56 - QD PHE 70 lone 6 97 - 6 - 248/3.7=1 Peak 4711 from aronoe.peaks (3.59, 6.97, 130.88 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.89: HA ALA 76 + QE PHE 70 OK 83 98 - 85 - 6391/2.2=38, ~6393=26...(12) HA ALA 76 + QE PHE 83 OK 38 76 - 50 - 6392=13, 4467/2.2=11...(10) HA ALA 76 - QE PHE 88 poor 8 64 - 13 - 6392/2.2=3, ~6394=2...(5) HA2 GLY 90 - QE PHE 70 lone 6 94 - 6 - 4715/2.2=3 HA2 GLY 90 - QE PHE 83 lone 2 72 - 2 - HA2 GLY 90 - QE PHE 88 lone 2 60 - 3 - 1.8/4861=1 Peak 4712 from aronoe.peaks (3.43, 6.97, 130.88 ppm; 4.20 A): 3 out of 15 assignments used, quality = 1.00: HB2 PHE 70 + QE PHE 70 OK 93 100 - 94 - 4.4=85, ~4576=22...(11) HB2 PHE 34 + QE PHE 70 OK 78 88 - 88 - 5173/2.2=26, ~4856=22...(17) HB2 PHE 83 + QE PHE 83 OK 74 80 - 92 - 4.4=86, ~4612=17...(9) HB2 PHE 34 - QE PHE 83 OK 44 66 - 68 - 3.0/5172=12, ~4804=12...(14) HB2 SER 89 - QE PHE 88 OK 40 54 - 73 - 6728/2.2=28, 6729=21...(10) HA ILE 80 - QE PHE 83 OK 28 67 - 42 - 4491/4.4=15, ~3366=6...(12) HB2 PHE 34 - QE PHE 88 OK 24 54 - 45 - 4740/2.2=8, ~4819=8...(12) HB2 PHE 83 - QE PHE 88 OK 21 68 - 31 - 6598/2.2=12, ~4732=9...(5) HA ILE 80 - QE PHE 70 OK 21 90 - 23 - 7041/2.2=4, 6498/4720=3...(9) HB2 PHE 83 - QE PHE 70 OK 12 100 - 13 - 7041/2.2=3, 4608/4720=1 HB2 PHE 70 - QE PHE 83 OK 11 80 - 14 - 4.1/6217=3, 7118/4.4=3 HB2 SER 89 - QE PHE 83 poor 9 66 - 14 - 6728/4629=3, 6729/2.2=3...(5) HA ILE 80 - QE PHE 88 poor 8 56 - 15 - 4.2/6724=4, 4740/2.2=4...(4) HB2 SER 89 - QE PHE 70 lone 8 88 - 9 - 6729=2, 1.8/6734=1 HB2 PHE 70 - QE PHE 88 lone 5 67 - 7 - 4740/2.2=2, ~4860=2 Peak 4713 from aronoe.peaks (2.76, 6.97, 130.88 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.78: HB3 PHE 70 + QE PHE 70 OK 78 78 - 100 - 4.4=100 Peak 4714 from aronoe.peaks (1.65, 6.97, 130.88 ppm; 3.79 A): 4 out of 33 assignments used, quality = 0.94: HG12 ILE 40 + QE PHE 70 OK 78 98 - 79 - 4775/2.2=15, 5406/2.2=14...(22) QB ALA 79 + QE PHE 83 OK 39 62 - 64 - 6464=13, 4735/2.2=12...(18) QB ALA 79 + QE PHE 70 OK 38 85 - 45 - 6465/2.2=17, 6464=11...(10) HG12 ILE 40 + QE PHE 83 OK 33 76 - 43 - 4735/2.2=8, 2.1/5404=6...(14) HB VAL 18 - QE PHE 70 OK 23 95 - 25 - 2.1/4693=7, 4775/2.2=6...(7) HG12 ILE 40 - QE PHE 88 OK 18 64 - 28 - ~4748=4, 5407/2.2=4...(13) HB VAL 18 - QE PHE 88 OK 16 61 - 27 - ~4696=8, 2.1/4697=5...(7) HB VAL 18 - QE PHE 83 OK 15 73 - 21 - 2.1/4693=4, 4735/2.2=4...(5) HD2 LYS 41 - QE PHE 70 OK 13 76 - 17 - ~6229=4, ~4716=3...(7) HD3 LYS 41 - QE PHE 70 OK 13 76 - 17 - ~6229=4, ~4716=3...(7) QB ALA 79 - QE PHE 88 poor 8 51 - 17 - 6464/2.2=3, 6464=3...(4) HB2 MET 50 - QE PHE 70 lone 8 100 - 8 - 4775/2.2=2 HG12 ILE 27 - QE PHE 70 lone 8 98 - 8 - 4775/2.2=2 HB2 MET 50 - QE PHE 83 lone 8 81 - 10 - 4735/2.2=2, ~4734=1, ~6673=1 HG12 ILE 27 - QE PHE 83 lone 7 76 - 10 - 4735/2.2=2, ~4863=1 HD3 LYS 41 - QE PHE 83 lone 4 54 - 7 - 4735/2.2=2, ~4737=1...(4) HD2 LYS 41 - QE PHE 83 lone 4 54 - 7 - 4735/2.2=2, ~4737=1...(4) HB2 MET 50 - QE PHE 88 lone 3 68 - 4 - 5677/5059=1 HB3 LYS 61 - QE PHE 83 lone 3 76 - 3 - HG3 GLN 19 - QE PHE 83 lone 2 81 - 3 - HG3 GLN 19 - QE PHE 70 lone 2 100 - 2 - HB3 LYS 61 - QE PHE 70 lone 2 98 - 2 - HG12 ILE 27 - QE PHE 88 lone 2 64 - 3 - HD3 LYS 94 - QE PHE 83 lone 2 44 - 4 - HD2 LYS 94 - QE PHE 83 lone 2 44 - 4 - HD3 LYS 94 - QE PHE 70 lone 2 62 - 3 - HD2 LYS 94 - QE PHE 70 lone 2 62 - 3 - HG3 GLN 19 - QE PHE 88 lone 1 68 - 2 - HD2 LYS 41 - QE PHE 88 lone 1 44 - 2 - HD3 LYS 41 - QE PHE 88 lone 1 44 - 2 - HB3 LYS 61 - QE PHE 88 lone 1 64 - 1 - HD3 LYS 94 - QE PHE 88 lone 0 35 - 1 - HD2 LYS 94 - QE PHE 88 lone 0 35 - 1 - Peak 4715 from aronoe.peaks (3.60, 7.05, 131.42 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.87: HA ALA 76 + QD PHE 70 OK 87 100 - 88 - 6391=44, 2.1/6393=37...(13) HA2 GLY 90 - QD PHE 70 lone 7 99 - 7 - 4711/2.2=2, 3.6/1022=1...(4) Peak 4716 from aronoe.peaks (1.61, 7.05, 131.42 ppm; 3.91 A): 3 out of 6 assignments used, quality = 0.94: QB ALA 76 + QD PHE 70 OK 83 96 - 87 - 6393=39, 2.1/6391=31...(19) HG12 ILE 40 + QD PHE 70 OK 51 63 - 82 - 2.1/5403=23, 3.8/5383=16...(25) HD3 LYS 41 + QD PHE 70 OK 29 93 - 31 - 5.8/5485=9, 6225/2.5=4...(7) HD2 LYS 41 - QD PHE 70 OK 29 93 - 31 - 5.8/5485=9, 6225/2.5=4...(7) HB VAL 18 - QD PHE 70 OK 14 71 - 20 - ~4693=5, ~4697=3...(7) HD2 LYS 63 - QD PHE 70 lone 4 87 - 5 - Peak 4717 from aronoe.peaks (0.83, 7.05, 131.42 ppm; 4.51 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 16 + QD PHE 70 OK 93 100 - 93 - 4625=29, 3.1/4634=27...(30) QG2 ILE 40 + QD PHE 70 OK 90 94 - 95 - 5416/3.7=29, 3.2/5383=24...(31) QG2 ILE 37 + QD PHE 70 OK 52 83 - 64 - 4.4/5329=15, 5301/3.8=11...(24) QG1 VAL 30 - QD PHE 70 OK 40 96 - 42 - 5110/6161=7, 5069/2.2=5...(17) QG2 VAL 30 - QD PHE 70 OK 35 87 - 40 - 5064/2.2=6, 4777/3.8=4...(18) QG2 VAL 25 - QD PHE 70 OK 32 97 - 33 - 1549/3.8=6, ~4878=5...(9) QG2 ILE 80 - QD PHE 70 OK 30 92 - 32 - 6518/2.5=5, ~6514=3...(14) QD2 LEU 62 - QD PHE 70 OK 17 98 - 16 - 5960/3.7=3, 7100/5403=2...(6) Peak 4718 from aronoe.peaks (1.32, 6.97, 130.88 ppm; 4.08 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4719 from aronoe.peaks (0.00, 6.97, 130.88 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.96: QG1 VAL 68 + QE PHE 70 OK 94 100 - 94 - 4780/2.2=42, 6161/2.2=34...(27) QG1 VAL 68 + QE PHE 83 OK 43 79 - 55 - 6160=9, 2.1/6153=6...(24) QG1 VAL 68 - QE PHE 88 OK 23 67 - 35 - 6160/2.2=5, 6160=4...(16) Peak 4720 from aronoe.peaks (0.25, 6.97, 130.88 ppm; 3.73 A): 3 out of 3 assignments used, quality = 0.93: QD1 ILE 16 + QE PHE 70 OK 83 97 - 86 - 4779/2.2=35, 4634/2.2=25...(26) QD1 ILE 16 + QE PHE 83 OK 45 75 - 61 - 4633=11, 4636/2.2=10...(24) QD1 ILE 16 + QE PHE 88 OK 19 63 - 31 - 4633/2.2=5, 4633=4...(14) Peak 4721 from aronoe.peaks (7.55, 5.26, 126.58 ppm; 3.92 A): 2 out of 3 assignments used, quality = 0.80: QD PHE 83 + HD1 TRP 82 OK 72 98 - 74 - 4801=22, 2.2/4839=21...(15) H ILE 80 + HD1 TRP 82 OK 27 75 - 37 - 6557/3.9=8, 6561/3.9=7...(11) H TYR 33 - HD1 TRP 82 poor 10 84 - 11 - 4.0/4581=2, 6561/3.9=2...(4) Peak 4722 from aronoe.peaks (8.47, 5.26, 126.58 ppm; 4.28 A): 3 out of 9 assignments used, quality = 0.88: H PHE 83 + HD1 TRP 82 OK 72 96 - 75 - 4.3/4580=24, 380=22...(12) H TRP 82 + HD1 TRP 82 OK 51 68 - 76 - 5.9=38, 4.0/4580=27...(10) H ALA 98 + HD1 TRP 82 OK 14 99 - 14 - 463/5.0=2, 5324/5315=1...(4) H ASP 72 - HD1 TRP 82 lone 9 97 - 9 - 969=2, 3426/3.9=1, 3416/3.9=1 H THR 42 - HD1 TRP 82 lone 8 100 - 8 - H THR 15 - HD1 TRP 82 lone 7 95 - 7 - 4554=2, 4540/5.0=1 H LEU 21 - HD1 TRP 82 lone 5 100 - 5 - H ASP 71 - HD1 TRP 82 lone 4 88 - 5 - 4.6/969=1 H ILE 93 - HD1 TRP 82 lone 3 96 - 3 - Peak 4723 from aronoe.peaks (6.94, 5.26, 126.58 ppm; 4.02 A): 2 out of 3 assignments used, quality = 0.62: HZ PHE 83 + HD1 TRP 82 OK 54 98 - 55 - 3.8/4721=17, 2.2/4818=15...(7) QE PHE 88 + HD1 TRP 82 OK 17 98 - 18 - 6563/3.9=7, 7201/5315=4...(4) QE PHE 70 - HD1 TRP 82 lone 3 62 - 4 - 6563/3.9=2 Peak 4724 from aronoe.peaks (4.34, 7.39, 120.51 ppm; 3.79 A): 1 out of 7 assignments used, quality = 0.65: HA TRP 82 + HE3 TRP 82 OK 65 87 - 75 - 4.5=59, 3.0/3431=26...(6) HA ALA 98 - HE3 TRP 82 lone 4 65 - 5 - ~6994=1, ~6991=1...(4) HA PHE 34 - HE3 TRP 82 lone 1 96 - 1 - HA LYS 61 - HE3 TRP 82 lone 1 99 - 1 - HA SER 11 - HE3 TRP 82 lone 1 93 - 1 - HB THR 59 - HE3 TRP 82 lone 1 81 - 1 - HA LEU 62 - HE3 TRP 82 lone 1 85 - 1 - Peak 4725 from aronoe.peaks (3.08, 7.39, 120.51 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.90: HB3 TRP 82 + HE3 TRP 82 OK 90 96 - 94 - 4.2=87, 3.0/3411=33...(6) HB2 TYR 33 - HE3 TRP 82 lone 5 97 - 6 - 4581/5.1=2 HE3 LYS 41 - HE3 TRP 82 lone 4 98 - 4 - 4581/5.1=1 HE3 LYS 77 - HE3 TRP 82 lone 2 99 - 2 - HB2 ASP 56 - HE3 TRP 82 lone 2 95 - 2 - HE2 LYS 77 - HE3 TRP 82 lone 1 97 - 2 - Peak 4726 from aronoe.peaks (2.52, 7.39, 120.51 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.90: HB2 TRP 82 + HE3 TRP 82 OK 90 90 - 100 - 4.2=100 Peak 4727 from aronoe.peaks (1.39, 5.26, 126.58 ppm; 4.19 A): 3 out of 6 assignments used, quality = 0.81: QB ALA 78 + HD1 TRP 82 OK 61 96 - 64 - 2.1/6434=20, 6435=20...(13) HG12 ILE 37 + HD1 TRP 82 OK 43 65 - 67 - 2.1/5315=32, 1.8/5316=21...(10) HG2 LYS 41 + HD1 TRP 82 OK 15 97 - 15 - 6569/3.9=4, 6567/3.9=2...(6) HB3 LEU 53 - HD1 TRP 82 lone 9 100 - 9 - 6569/3.9=2, 6567/3.9=1 HG3 LYS 45 - HD1 TRP 82 lone 7 91 - 7 - 6569/3.9=2, 6573/2.6=1 HG12 ILE 93 - HD1 TRP 82 lone 2 59 - 4 - 4737/4801=1 Peak 4728 from aronoe.peaks (0.84, 5.26, 126.58 ppm; 4.62 A): 5 out of 8 assignments used, quality = 0.91: QG2 ILE 37 + HD1 TRP 82 OK 71 97 - 73 - 3.3/5315=30, 3.2/5316=21...(15) QG2 ILE 80 + HD1 TRP 82 OK 45 99 - 45 - 3.2/4729=11, 4.0/4721=8...(12) QG2 ILE 16 + HD1 TRP 82 OK 20 98 - 21 - 4627/4801=3, 6583/3.9=2...(9) QG2 VAL 30 + HD1 TRP 82 OK 17 98 - 18 - 6583/3.9=3, 6581/3.9=3...(5) QG1 VAL 30 + HD1 TRP 82 OK 17 100 - 17 - 6583/3.9=3, 6581/3.9=3...(7) QD2 LEU 62 - HD1 TRP 82 lone 9 100 - 9 - 6583/3.9=1, 6581/3.9=1 QG2 ILE 40 - HD1 TRP 82 lone 6 75 - 8 - 5391/6.6=1, 4738/4801=1 QG2 VAL 25 - HD1 TRP 82 lone 5 80 - 7 - 4836/4723=1 Peak 4729 from aronoe.peaks (0.34, 5.26, 126.58 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 37 + HD1 TRP 82 OK 84 100 - 85 - 5315=36, 5278/3.9=20...(17) HG13 ILE 80 + HD1 TRP 82 OK 33 82 - 40 - 6582/3.9=7, 6584/3.9=7...(12) Peak 4731 from aronoe.peaks (6.87, 7.56, 131.98 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.90: QE PHE 34 + QD PHE 83 OK 75 99 - 76 - 4678=21, 2.2/4813=16...(19) HZ PHE 34 + QD PHE 83 OK 59 85 - 70 - 2.2/4678=15, 6597/2.4=14...(15) H VAL 25 - QD PHE 83 poor 8 60 - 13 - 3.9/4864=5, 3.9/4738=2, ~4876=2 QE TYR 54 - QD PHE 83 lone 3 76 - 4 - Peak 4732 from aronoe.peaks (6.20, 7.56, 131.98 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.82: QE TYR 33 + QD PHE 83 OK 66 87 - 76 - 5158=22, 4817/2.2=19...(15) QD PHE 88 + QD PHE 83 OK 47 93 - 51 - 4817/2.2=16, 4841/3.8=11...(11) Peak 4733 from aronoe.peaks (8.47, 7.56, 131.98 ppm; 4.39 A): 2 out of 9 assignments used, quality = 0.99: H PHE 83 + QD PHE 83 OK 99 99 - 100 - 4.4=96, 978/2.4=34...(20) H TRP 82 + QD PHE 83 OK 52 78 - 67 - 4.6/982=14, 5.9/4801=13...(16) H ILE 93 - QD PHE 83 OK 29 92 - 32 - 5.0/6807=11, 4.9/4736=6...(8) H ASP 72 - QD PHE 83 OK 17 99 - 17 - 4.8/6599=3, 6278/2.4=2...(4) H ALA 98 - QD PHE 83 OK 15 100 - 15 - 7018/3387=2, 7017/4627=1...(4) H LEU 21 - QD PHE 83 OK 15 100 - 15 - 3837/6807=1, 6670/6671=1...(4) H THR 42 - QD PHE 83 OK 11 100 - 11 - H ASP 71 - QD PHE 83 lone 7 81 - 9 - 325/2.4=2 H THR 15 - QD PHE 83 lone 7 90 - 8 - 4563/6396=1 Peak 4734 from aronoe.peaks (2.29, 7.56, 131.98 ppm; 4.24 A): 4 out of 6 assignments used, quality = 0.90: HB3 LYS 86 + QD PHE 83 OK 81 99 - 82 - 6673=23, 1.8/6672=18...(14) HG3 GLN 36 + QD PHE 83 OK 27 95 - 28 - 5260/2.2=7, ~5259=7...(6) HB3 PRO 73 + QD PHE 83 OK 15 99 - 15 - 3.0/4799=4, ~6317=3...(6) HG2 MET 50 + QD PHE 83 OK 12 89 - 13 - 6673=4, 2.9/4735=2, 7128/2.4=2 HG3 GLU 58 - QD PHE 83 lone 1 76 - 2 - HG2 GLU 28 - QD PHE 83 lone 1 63 - 2 - Peak 4735 from aronoe.peaks (1.65, 7.56, 131.98 ppm; 3.76 A): 3 out of 9 assignments used, quality = 0.71: QB ALA 79 + QD PHE 83 OK 49 76 - 65 - 2.1/4799=18, 4321=11...(20) HG12 ILE 40 + QD PHE 83 OK 32 100 - 32 - 5407/2.2=6, 2.1/5401=5...(12) HB VAL 18 + QD PHE 83 OK 17 99 - 18 - ~4693=3, ~4697=3...(8) HG12 ILE 27 - QD PHE 83 poor 10 95 - 10 - ~1602=1, 4834/2.2=1, ~1595=1 HB2 MET 50 - QD PHE 83 lone 9 100 - 9 - 2.9/4734=2, 4834/2.2=1 HD3 LYS 41 - QD PHE 83 lone 6 85 - 7 - 3.0/4737=2, 3.0/4736=2 HD2 LYS 41 - QD PHE 83 lone 6 85 - 7 - 3.0/4737=2, 3.0/4736=2 HB3 LYS 61 - QD PHE 83 lone 3 95 - 3 - HG3 GLN 19 - QD PHE 83 lone 2 100 - 2 - Peak 4736 from aronoe.peaks (1.50, 7.56, 131.98 ppm; 4.50 A): 2 out of 9 assignments used, quality = 0.94: HG2 LYS 86 + QD PHE 83 OK 86 100 - 87 - 6674=28, 2.8/4734=21...(12) HG13 ILE 93 + QD PHE 83 OK 60 81 - 75 - ~6838=22, 2.1/6807=21...(15) HG LEU 53 - QD PHE 83 OK 25 100 - 24 - 2.1/4864=5, ~6614=4...(7) HG3 LYS 41 - QD PHE 83 OK 16 99 - 16 - 1.8/4737=3, 3.0/4735=2...(4) HG2 LYS 94 - QD PHE 83 OK 10 99 - 10 - 994/6671=1, 6617/3.7=1...(5) HB3 LEU 62 - QD PHE 83 poor 8 68 - 12 - ~6613=3, ~6615=2...(4) HG2 LYS 45 - QD PHE 83 lone 7 92 - 7 - 1.8/4737=1, 3.8/4799=1 HB3 LYS 63 - QD PHE 83 lone 4 60 - 6 - 3.0/6599=2 HG2 LYS 44 - QD PHE 83 lone 2 63 - 3 - Peak 4737 from aronoe.peaks (1.39, 7.56, 131.98 ppm; 4.81 A): 4 out of 6 assignments used, quality = 0.94: QB ALA 78 + QD PHE 83 OK 68 97 - 70 - 6429=16, 3.7/1120=12...(19) HG12 ILE 37 + QD PHE 83 OK 57 65 - 87 - 2.1/4739=23, 1.8/5312=21...(26) HG12 ILE 93 + QD PHE 83 OK 47 60 - 79 - ~6838=25, 2.1/6807=23...(16) HB3 LEU 53 + QD PHE 83 OK 25 100 - 25 - 3.1/4864=5, 3.0/4736=4...(6) HG2 LYS 41 - QD PHE 83 OK 21 97 - 22 - 1.8/4736=3, 3.0/4735=2...(7) HG3 LYS 45 - QD PHE 83 lone 9 92 - 9 - 3.8/4799=1, 1.8/4736=1 Peak 4738 from aronoe.peaks (0.83, 7.56, 131.98 ppm; 4.20 A): 4 out of 8 assignments used, quality = 0.98: QG2 ILE 16 + QD PHE 83 OK 70 100 - 70 - 4627=14, 3.1/4636=12...(25) QG2 ILE 80 + QD PHE 83 OK 68 93 - 74 - 3366=14, 2.1/3359=12...(20) QG2 ILE 37 + QD PHE 83 OK 67 85 - 79 - 3.3/4739=15, 5303=14...(26) QG1 VAL 30 + QD PHE 83 OK 45 97 - 47 - 5047/2.4=6, 5071=5...(18) QG2 ILE 40 - QD PHE 83 OK 42 93 - 45 - 3.2/4735=8, 3.3/5401=5...(16) QG2 VAL 30 - QD PHE 83 OK 40 89 - 46 - 2.1/5071=4, ~5047=4...(21) QG2 VAL 25 - QD PHE 83 OK 38 96 - 40 - 2.1/4864=7, ~6614=5...(12) QD2 LEU 62 - QD PHE 83 OK 17 99 - 17 - ~6613=3, ~6615=2...(4) Peak 4739 from aronoe.peaks (0.35, 7.56, 131.98 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 37 + QD PHE 83 OK 93 100 - 93 - 5310=22, 7201/3.8=19...(35) HG13 ILE 80 + QD PHE 83 OK 65 92 - 72 - 3380=14, 2.1/3387=13...(25) Peak 4740 from aronoe.peaks (3.43, 6.22, 131.90 ppm; 3.92 A): 4 out of 5 assignments used, quality = 0.88: HB2 SER 89 + QD PHE 88 OK 61 91 - 68 - 6728=35, 1.8/6733=22...(7) HB2 PHE 83 + QD PHE 88 OK 44 99 - 44 - 6598=10, 2.4/4732=10...(11) HB2 PHE 34 + QD PHE 88 OK 33 84 - 39 - 1.8/4860=10, 2.4/4819=9...(10) HA ILE 80 + QD PHE 88 OK 15 86 - 18 - 4.2/4749=8, 3358/4778=2...(4) HB2 PHE 70 - QD PHE 88 lone 8 100 - 7 - 1.8/4860=2, 4.4/4629=2 Peak 4741 from aronoe.peaks (3.68, 6.22, 131.90 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.73: HA LEU 21 + QD PHE 88 OK 73 96 - 76 - 4780=33, 4779/2.2=17...(13) HD2 PRO 74 - QD PHE 88 lone 6 96 - 7 - 6709/2.5=2, 1.8/6707=1 HB2 SER 69 - QD PHE 88 lone 5 79 - 6 - 6709/2.5=1, 1467/4749=1 HA2 GLY 47 - QD PHE 88 lone 4 99 - 4 - HD3 PRO 49 - QD PHE 88 lone 3 96 - 4 - Peak 4742 from aronoe.peaks (3.98, 6.22, 131.90 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.75: HB3 SER 89 + QD PHE 88 OK 61 89 - 69 - 1.8/6728=36, 6733=26...(7) HB2 SER 29 + QD PHE 88 OK 27 67 - 41 - 7071/2.2=11, 6733=11...(5) HB3 SER 96 + QD PHE 88 OK 13 91 - 15 - 6940/2.5=6, ~6939=4...(4) HA GLU 28 - QD PHE 88 lone 3 100 - 3 - HA LYS 44 - QD PHE 88 lone 2 96 - 2 - Peak 4743 from aronoe.peaks (3.74, 6.95, 130.77 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.80: HA VAL 30 + QE PHE 88 OK 70 100 - 70 - 4850/2.2=21, 5059=14...(23) HA VAL 30 + QE PHE 70 OK 19 68 - 28 - 5059=6, 3.2/5064=4...(13) HA2 GLY 64 + QE PHE 88 OK 16 100 - 16 - 4850/2.2=5, 5994/4752=3...(6) HA2 GLY 20 - QE PHE 88 lone 9 99 - 10 - 4759/4751=3, 4850/2.2=2 HB THR 42 - QE PHE 88 lone 5 95 - 5 - 4850/2.2=1 HA2 GLY 64 - QE PHE 70 lone 4 68 - 5 - HA2 GLY 60 - QE PHE 88 lone 2 76 - 3 - HA2 GLY 20 - QE PHE 70 lone 2 66 - 3 - HB THR 42 - QE PHE 70 lone 2 61 - 3 - 5500/4816=1 HA2 GLY 60 - QE PHE 70 lone 1 44 - 1 - Peak 4744 from aronoe.peaks (3.07, 6.95, 130.77 ppm; 4.01 A): 3 out of 14 assignments used, quality = 0.80: HB2 TYR 33 + QE PHE 88 OK 70 83 - 85 - 1.8/4745=27, 2.5/4811=21...(16) HB3 TRP 82 + QE PHE 88 OK 20 80 - 25 - 6563=11, 3.9/4723=6...(7) HB2 TYR 33 + QE PHE 70 OK 15 49 - 31 - 1.8/4745=7, 5142=6...(8) HE3 LYS 41 - QE PHE 70 poor 6 53 - 11 - ~6229=3, ~4716=2, 6.2/4816=2 HE2 LYS 41 - QE PHE 70 poor 5 43 - 11 - ~6229=3, ~4716=2, 6.2/4816=2 HE3 LYS 41 - QE PHE 88 lone 4 87 - 4 - HB3 TRP 82 - QE PHE 70 lone 3 48 - 7 - 6563=3, 3.9/6565=2 HE2 LYS 77 - QE PHE 88 lone 2 100 - 2 - HE3 LYS 77 - QE PHE 88 lone 2 88 - 2 - HE2 LYS 41 - QE PHE 88 lone 2 73 - 2 - HB2 ASP 56 - QE PHE 88 lone 1 100 - 1 - HE2 LYS 77 - QE PHE 70 lone 1 68 - 1 - HB2 ASP 56 - QE PHE 70 lone 1 67 - 1 - HE3 LYS 77 - QE PHE 70 lone 1 54 - 1 - Peak 4745 from aronoe.peaks (2.81, 6.95, 130.77 ppm; 4.09 A): 2 out of 8 assignments used, quality = 0.87: HB3 TYR 33 + QE PHE 88 OK 83 98 - 84 - 2.5/4811=22, 1.8/4744=21...(17) HB3 TYR 33 + QE PHE 70 OK 21 65 - 32 - 1.8/5142=6, 2.5/4811=6...(9) HB2 ASP 72 - QE PHE 88 lone 2 96 - 2 - HB2 ASP 72 - QE PHE 70 lone 2 62 - 3 - 6288/4.4=1 HB2 TYR 54 - QE PHE 88 lone 1 88 - 2 - HB2 PHE 17 - QE PHE 88 lone 1 96 - 1 - HB2 PHE 17 - QE PHE 70 lone 1 62 - 2 - HB2 TYR 54 - QE PHE 70 lone 1 54 - 1 - Peak 4746 from aronoe.peaks (1.15, 6.22, 131.90 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.99: HB3 LEU 21 + QD PHE 88 OK 91 99 - 92 - 2.9/4741=32, 3.1/4778=27...(20) HB2 LEU 21 + QD PHE 88 OK 90 98 - 92 - 2.9/4741=32, 3.1/4778=27...(20) HG13 ILE 37 - QD PHE 88 OK 25 59 - 42 - ~7201=12, ~7199=11...(8) HG13 ILE 27 - QD PHE 88 lone 8 96 - 8 - 5735/4748=1, 4901/4890=1 QG2 THR 15 - QD PHE 88 lone 4 98 - 4 - QG2 THR 46 - QD PHE 88 lone 3 79 - 3 - Peak 4747 from aronoe.peaks (0.81, 6.22, 131.90 ppm; 3.85 A): 4 out of 6 assignments used, quality = 0.96: QD1 ILE 93 + QD PHE 88 OK 66 77 - 86 - 6813=20, 3.1/6818=17...(30) QG2 VAL 25 + QD PHE 88 OK 61 98 - 62 - 2.1/4890=13, 4889=7...(21) QG1 VAL 25 + QD PHE 88 OK 54 86 - 64 - 4890=11, 2.1/4889=7...(23) QG2 ILE 40 + QD PHE 88 OK 32 99 - 32 - 3.3/4748=5, 6715/2.5=4...(12) QG2 ILE 16 - QD PHE 88 OK 22 82 - 26 - 4586/4778=2, ~4720=2...(14) QD2 LEU 62 - QD PHE 88 lone 3 62 - 4 - Peak 4748 from aronoe.peaks (0.73, 6.22, 131.90 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.96: QG2 ILE 93 + QD PHE 88 OK 89 97 - 92 - 6818=29, 6834/2.5=25...(24) QG2 ILE 51 + QD PHE 88 OK 41 95 - 43 - 6714/2.5=10, 6718/2.5=9...(13) QD1 ILE 40 + QD PHE 88 OK 31 84 - 37 - 5445/2.5=4, 6718/2.5=4...(16) Peak 4749 from aronoe.peaks (-0.19, 6.22, 131.90 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 21 + QD PHE 88 OK 85 99 - 85 - 4778=31, 6719/2.5=16...(25) QD1 ILE 80 + QD PHE 88 OK 43 95 - 45 - 6719/2.5=10, 6720/2.5=9...(13) Peak 4750 from aronoe.peaks (0.80, 6.95, 130.77 ppm; 3.56 A): 4 out of 10 assignments used, quality = 0.94: QD1 ILE 93 + QE PHE 88 OK 65 95 - 68 - 6813/2.2=19, 6840/4.4=11...(17) QG1 VAL 25 + QE PHE 88 OK 56 98 - 57 - 4890/2.2=10, 4878=7...(20) QG2 VAL 25 + QE PHE 88 OK 45 87 - 52 - ~4890=8, 4747/2.2=7...(17) QG2 ILE 40 + QE PHE 70 OK 36 56 - 65 - 5416/5.6=10, ~5383=9...(19) QG2 ILE 40 - QE PHE 88 OK 23 90 - 26 - 4747/2.2=4, ~4748=2...(11) QG1 VAL 25 - QE PHE 70 OK 20 65 - 31 - 1544/2.2=6, 4878=5...(11) QG2 ILE 16 - QE PHE 70 OK 18 32 - 55 - ~4779=13, ~4634=11...(12) QG2 VAL 25 - QE PHE 70 OK 13 53 - 25 - 1549/2.2=5, 2.1/4878=4...(8) QG2 ILE 16 - QE PHE 88 OK 13 57 - 22 - 3.1/4753=3, 4747/2.2=3...(8) QD1 ILE 93 - QE PHE 70 poor 8 61 - 14 - ~4778=3, ~4776=2...(5) Peak 4751 from aronoe.peaks (0.72, 6.95, 130.77 ppm; 4.51 A): 4 out of 4 assignments used, quality = 0.94: QG2 ILE 93 + QE PHE 88 OK 85 100 - 85 - 6818/2.2=26, 6834/4.4=21...(18) QG2 ILE 51 + QE PHE 88 OK 43 100 - 43 - 4748/2.2=10, 6714/4.4=9...(12) QG2 ILE 93 + QE PHE 70 OK 15 68 - 22 - 4778/2.2=8, ~4776=3...(6) QG2 ILE 51 + QE PHE 70 OK 13 68 - 19 - 4778/2.2=8, 5754/6160=3 Peak 4752 from aronoe.peaks (-0.19, 6.95, 130.77 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.94: QD2 LEU 21 + QE PHE 88 OK 87 100 - 88 - 4749/2.2=28, 4853/2.2=20...(20) QD1 ILE 80 + QE PHE 88 OK 50 95 - 52 - 4749/2.2=14, 4853/2.2=12...(13) QD2 LEU 21 - QE PHE 70 OK 18 67 - 27 - 4776=5, ~7045=5...(9) QD1 ILE 80 - QE PHE 70 OK 11 61 - 18 - 6506/4633=2, 6386/6394=2...(7) Peak 4753 from aronoe.peaks (0.28, 6.95, 130.77 ppm; 3.98 A): 3 out of 6 assignments used, quality = 0.93: QD1 LEU 21 + QE PHE 88 OK 81 100 - 81 - 2.1/4752=16, ~4749=15...(19) QG2 VAL 68 + QE PHE 70 OK 42 54 - 78 - ~4780=22, ~6161=18...(16) QD1 ILE 16 + QE PHE 70 OK 34 46 - 73 - 4634/2.2=21, ~7175=15...(22) QD1 ILE 16 - QE PHE 88 OK 24 78 - 31 - 4633/2.2=4, ~4631=4...(14) QG2 VAL 68 - QE PHE 88 OK 23 88 - 26 - 6153/2.2=4, ~6163=3...(9) QD1 LEU 21 - QE PHE 70 OK 17 68 - 25 - 7045/2.2=6, 2.1/4776=4...(5) Peak 4754 from aronoe.peaks (8.47, 7.33, 131.48 ppm; 4.36 A): 2 out of 9 assignments used, quality = 0.97: H ALA 98 + QD PHE 97 OK 94 99 - 95 - 4.9=68, 458/2.4=36...(13) H LEU 21 + QD PHE 97 OK 44 100 - 44 - 4.7/4765=11, 4796/3.7=9...(9) H THR 15 - QD PHE 97 OK 24 93 - 26 - 4540=10, 4563/6395=3...(10) H THR 42 - QD PHE 97 OK 19 100 - 19 - 5506/4.5=7, 4540=4...(4) H PHE 83 - QD PHE 97 OK 14 96 - 14 - 4399/2.4=3, 4400/2.4=2...(4) H ILE 93 - QD PHE 97 OK 12 95 - 13 - 4400/2.4=3, 5.0/4764=2...(6) H TRP 82 - QD PHE 97 poor 9 70 - 13 - 4399/2.4=2, 4.4/6963=2...(4) H ASP 72 - QD PHE 97 lone 9 97 - 10 - 4.1/6963=2, 4399/2.4=1 H ASP 71 - QD PHE 97 lone 6 86 - 7 - 6401/6395=1 Peak 4755 from aronoe.peaks (8.88, 7.33, 131.48 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.96: H PHE 97 + QD PHE 97 OK 96 96 - 100 - 4.5=100 Peak 4757 from aronoe.peaks (2.10, 7.15, 129.48 ppm; 3.46 A): 2 out of 12 assignments used, quality = 0.88: HB3 LYS 77 + HZ PHE 97 OK 74 100 - 74 - 6412=15, 6412/2.2=13...(21) HB3 LYS 77 + QE PHE 97 OK 55 69 - 80 - 6412=16, 6404/2.2=13...(28) HB2 GLN 19 - HZ PHE 97 lone 3 98 - 3 - HB2 GLN 19 - QE PHE 97 lone 3 65 - 4 - HB2 GLN 36 - QE PHE 97 lone 2 67 - 3 - ~5255=2 HG2 PRO 74 - HZ PHE 97 lone 1 100 - 1 - HG2 PRO 74 - QE PHE 97 lone 1 69 - 1 - HB2 GLU 28 - HZ PHE 97 lone 1 65 - 1 - HB2 GLN 36 - HZ PHE 97 lone 1 99 - 1 - HB2 GLU 28 - QE PHE 97 lone 0 38 - 1 - HB2 GLU 58 - HZ PHE 97 lone 0 63 - 1 - HB2 GLU 58 - QE PHE 97 lone 0 36 - 1 - Peak 4758 from aronoe.peaks (3.77, 7.17, 129.18 ppm; 4.15 A): 4 out of 18 assignments used, quality = 0.75: HA LYS 77 + QE PHE 97 OK 55 68 - 82 - 3.0/4761=20, 3.0/4762=14...(19) HA LYS 77 + HZ PHE 97 OK 28 37 - 75 - 3.0/6412=13, 7211=11...(18) HA2 GLY 22 + QE PHE 97 OK 13 97 - 13 - 4843/2.2=4, ~4845=4, ~4841=3 HA VAL 30 + QE PHE 97 OK 11 85 - 13 - ~5065=3, ~5055=3...(6) HA2 GLY 64 - QE PHE 97 poor 10 80 - 12 - 4.9/5972=3, 3.0/1108=3...(5) HA ILE 40 - QE PHE 97 poor 8 68 - 12 - ~4764=3, 4759/2.2=2...(5) HA2 GLY 64 - HZ PHE 97 poor 5 45 - 10 - 3.0/1108=3, 4.9/5972=3, ~1108=2 HA2 GLY 22 - HZ PHE 97 lone 3 60 - 5 - 4843/3.8=4 HA ILE 40 - HZ PHE 97 lone 3 37 - 7 - 4759/3.8=2 HA VAL 30 - HZ PHE 97 lone 2 48 - 4 - HA2 GLY 60 - QE PHE 97 lone 1 100 - 1 - HD2 PRO 92 - QE PHE 97 lone 1 62 - 2 - HB3 SER 11 - QE PHE 97 lone 1 76 - 1 - HA2 GLY 20 - QE PHE 97 lone 1 60 - 2 - HA2 GLY 60 - HZ PHE 97 lone 1 65 - 1 - HB3 SER 11 - HZ PHE 97 lone 0 42 - 1 - HD2 PRO 92 - HZ PHE 97 lone 0 34 - 1 - HA2 GLY 20 - HZ PHE 97 lone 0 32 - 1 - Peak 4759 from aronoe.peaks (3.79, 7.33, 131.48 ppm; 4.57 A): 3 out of 7 assignments used, quality = 0.94: HA LYS 77 + QD PHE 97 OK 91 99 - 91 - 6403=29, 3.0/6404=21...(21) HA2 GLY 22 + QD PHE 97 OK 24 96 - 25 - 1.8/4845=5, 4843=4...(7) HA ILE 40 + QD PHE 97 OK 18 99 - 18 - 3.2/4764=7, 6974/2.2=3...(6) HA SER 89 - QD PHE 97 lone 9 92 - 9 - 3.0/6735=3, 3.0/6730=2...(4) HD2 PRO 92 - QD PHE 97 lone 3 98 - 3 - HB3 SER 11 - QD PHE 97 lone 2 100 - 2 - HA2 GLY 60 - QD PHE 97 lone 1 82 - 2 - Peak 4760 from aronoe.peaks (1.58, 7.33, 131.48 ppm; 3.59 A): 4 out of 7 assignments used, quality = 0.95: HG3 LYS 77 + QD PHE 97 OK 70 92 - 76 - 2.9/6404=13, 3.8/4759=10...(26) HG2 LYS 77 + QD PHE 97 OK 69 91 - 76 - 2.9/6404=13, 3.8/4759=10...(26) QB ALA 76 + QD PHE 97 OK 33 87 - 38 - 6395=22, 4.8/4759=8...(7) HD2 LYS 63 + QD PHE 97 OK 13 96 - 13 - 7216/2.2=4, 7216/3.8=2...(4) HB3 PRO 49 - QD PHE 97 lone 7 82 - 9 - 5630/2.2=2, 5630/3.8=1...(4) HG3 LYS 44 - QD PHE 97 lone 2 59 - 3 - HB3 GLU 87 - QD PHE 97 lone 2 72 - 2 - Peak 4761 from aronoe.peaks (2.09, 7.17, 129.18 ppm; 3.75 A): 2 out of 12 assignments used, quality = 0.89: HB3 LYS 77 + QE PHE 97 OK 81 93 - 87 - 6412=19, 1.8/4762=14...(28) HB3 LYS 77 + HZ PHE 97 OK 43 55 - 77 - 6412=17, 6412/2.2=13...(21) HB2 GLN 19 - QE PHE 97 lone 4 83 - 5 - ~4636=1 HB2 GLN 36 - QE PHE 97 lone 3 87 - 3 - ~5255=2 HG2 PRO 74 - QE PHE 97 lone 2 94 - 2 - HB2 GLU 28 - QE PHE 97 lone 2 90 - 2 - HB2 GLN 19 - HZ PHE 97 lone 1 47 - 3 - HG2 PRO 74 - HZ PHE 97 lone 1 57 - 2 - HB2 GLU 28 - HZ PHE 97 lone 1 53 - 2 - HB2 LYS 86 - QE PHE 97 lone 1 73 - 1 - HB2 GLN 36 - HZ PHE 97 lone 0 50 - 1 - HB2 LYS 86 - HZ PHE 97 lone 0 40 - 1 - Peak 4762 from aronoe.peaks (1.97, 7.17, 129.18 ppm; 4.04 A): 2 out of 22 assignments used, quality = 0.96: HB2 LYS 77 + QE PHE 97 OK 91 100 - 91 - 1.8/4761=24, 7124=15...(28) HB2 LYS 77 + HZ PHE 97 OK 53 64 - 82 - 1.8/6412=15, ~4761=15...(20) HB2 GLU 65 - QE PHE 97 lone 10 100 - 10 - 3.0/6975=2, ~3006=2...(4) HB VAL 25 - QE PHE 97 poor 10 87 - 11 - ~4764=3, 7124=1 HG2 PRO 49 - QE PHE 97 poor 7 62 - 11 - 2.3/5630=4, ~5630=2, 4202/6.5=2 HB2 GLU 65 - HZ PHE 97 lone 6 65 - 9 - 3.0/3006=2, 3.0/3000=1...(5) HG2 GLN 19 - QE PHE 97 lone 5 100 - 5 - 4743/2.2=1 HB VAL 95 - QE PHE 97 lone 3 60 - 6 - 6879/4.4=3, 2.1/6047=1 HB VAL 25 - HZ PHE 97 lone 3 50 - 7 - 7124/2.2=1, 7124=1 HG2 PRO 49 - HZ PHE 97 lone 3 34 - 10 - 2.3/5630=3, ~5630=3, 4202/8.2=1 HG3 PRO 74 - QE PHE 97 lone 3 98 - 3 - HG2 GLN 19 - HZ PHE 97 lone 3 65 - 4 - HB3 GLU 28 - QE PHE 97 lone 2 100 - 2 - HB VAL 95 - HZ PHE 97 lone 1 32 - 5 - 6879/5.8=2 HG3 PRO 74 - HZ PHE 97 lone 1 61 - 2 - HB3 GLU 28 - HZ PHE 97 lone 1 64 - 2 - HB3 LYS 45 - QE PHE 97 lone 1 71 - 2 - HB2 LYS 45 - QE PHE 97 lone 1 71 - 2 - HG3 PRO 73 - QE PHE 97 lone 1 71 - 1 - HB2 LYS 45 - HZ PHE 97 lone 1 39 - 1 - HB3 LYS 45 - HZ PHE 97 lone 1 39 - 1 - HG3 PRO 73 - HZ PHE 97 lone 0 39 - 1 - Peak 4763 from aronoe.peaks (2.70, 7.33, 131.48 ppm; 4.36 A): 2 out of 5 assignments used, quality = 0.47: HB3 ASN 13 + QD PHE 97 OK 41 86 - 48 - 4506=20, 3.5/4507=19...(4) HB3 PHE 17 + QD PHE 97 OK 11 93 - 12 - 7009/4.9=8, 4677/6989=3 HB3 ASP 72 - QD PHE 97 lone 6 77 - 7 - 7009/4.9=4, 4.1/4754=1 HB2 ASP 81 - QD PHE 97 lone 6 79 - 7 - ~4496=2, 7009/4.9=2, 4.4/4403=1 HB3 ASN 24 - QD PHE 97 lone 3 70 - 5 - 4506=2 Peak 4764 from aronoe.peaks (0.81, 7.33, 131.48 ppm; 4.11 A): 5 out of 7 assignments used, quality = 0.68: QG2 ILE 16 + QD PHE 97 OK 42 89 - 47 - 3.2/4618=15, 7058/3.7=12...(12) QG2 ILE 40 + QD PHE 97 OK 20 100 - 20 - 5385/4.5=4, 3.2/4759=3...(7) QG2 VAL 25 + QD PHE 97 OK 13 99 - 13 - 4914/4765=3, 4798/2.2=1...(6) QG1 VAL 30 + QD PHE 97 OK 11 64 - 17 - 2.1/5065=5, 3.9/5055=3...(6) QD1 ILE 93 + QD PHE 97 OK 10 67 - 15 - 6840/2.4=4, 6850/4765=2...(5) QG1 VAL 25 - QD PHE 97 poor 9 77 - 12 - 4912/4765=4, ~6976=1, ~4762=1 QD2 LEU 62 - QD PHE 97 lone 3 72 - 4 - Peak 4765 from aronoe.peaks (-0.20, 7.33, 131.48 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.76: QD1 ILE 80 + QD PHE 97 OK 55 72 - 77 - 6537=22, 6531/3.7=12...(21) QD2 LEU 21 + QD PHE 97 OK 47 89 - 53 - 4803/2.4=11, 6969/2.4=9...(15) Peak 4766 from aronoe.peaks (1.70, 7.17, 129.18 ppm; 4.21 A): 4 out of 36 assignments used, quality = 0.94: HD2 LYS 77 + QE PHE 97 OK 76 99 - 77 - 3.7/4761=17, 1.8/6409=14...(18) HB ILE 80 + QE PHE 97 OK 41 73 - 56 - ~6537=13, 3.2/4768=13...(12) HD2 LYS 77 + HZ PHE 97 OK 39 63 - 62 - 3.7/6412=11, 1.8/6409=11...(14) HD3 LYS 63 + QE PHE 97 OK 31 92 - 34 - 1.8/7216=6, 3.9/5974=4...(15) HD3 LYS 63 - HZ PHE 97 OK 16 54 - 29 - 1.8/7216=5, ~7216=4...(12) HB ILE 40 - QE PHE 97 OK 15 93 - 16 - ~4764=4, ~4759=2...(6) HB ILE 80 - HZ PHE 97 OK 12 40 - 30 - ~4768=7, 3.2/6980=7...(7) HB2 LEU 53 - QE PHE 97 lone 5 73 - 7 - 3.1/5785=3, ~5785=1, 4.4/845=1 HD3 LYS 44 - QE PHE 97 lone 5 93 - 5 - HD2 LYS 44 - QE PHE 97 lone 5 92 - 5 - HD3 LYS 45 - QE PHE 97 lone 4 100 - 4 - HD2 LYS 45 - QE PHE 97 lone 4 99 - 4 - HB ILE 40 - HZ PHE 97 lone 4 55 - 7 - ~4798=1, ~6974=1...(4) QB ALA 79 - QE PHE 97 lone 3 62 - 5 - 6495/4768=1, 4.7/6431=1 HD3 LYS 61 - QE PHE 97 lone 3 92 - 3 - HD2 LYS 61 - QE PHE 97 lone 3 92 - 3 - HD2 LYS 94 - QE PHE 97 lone 3 85 - 3 - HD3 LYS 94 - QE PHE 97 lone 3 85 - 3 - HB2 LEU 53 - HZ PHE 97 lone 3 40 - 6 - 3.1/5785=2, ~5785=2 HD3 LYS 45 - HZ PHE 97 lone 2 64 - 3 - HD2 LYS 45 - HZ PHE 97 lone 2 62 - 3 - HD3 LYS 44 - HZ PHE 97 lone 2 55 - 4 - HD2 LYS 44 - HZ PHE 97 lone 2 54 - 4 - HD3 LYS 61 - HZ PHE 97 lone 2 54 - 3 - HD2 LYS 61 - HZ PHE 97 lone 2 54 - 3 - HD2 LYS 94 - HZ PHE 97 lone 1 48 - 3 - HD3 LYS 94 - HZ PHE 97 lone 1 48 - 3 - HG2 ARG 57 - QE PHE 97 lone 1 93 - 1 - HG12 ILE 39 - QE PHE 97 lone 1 100 - 1 - HG3 ARG 57 - QE PHE 97 lone 1 90 - 1 - HD3 LYS 35 - QE PHE 97 lone 1 96 - 1 - QB ALA 79 - HZ PHE 97 lone 1 34 - 3 - HG12 ILE 39 - HZ PHE 97 lone 1 64 - 1 - HD3 LYS 35 - HZ PHE 97 lone 1 59 - 1 - HG2 ARG 57 - HZ PHE 97 lone 1 55 - 1 - HG3 ARG 57 - HZ PHE 97 lone 1 53 - 1 - Peak 4767 from aronoe.peaks (1.56, 7.17, 129.18 ppm; 3.90 A): 3 out of 16 assignments used, quality = 0.98: HG2 LYS 77 + QE PHE 97 OK 83 95 - 88 - 2.9/4761=18, 2.9/4762=12...(30) HG3 LYS 77 + QE PHE 97 OK 82 94 - 87 - 2.9/4761=18, 2.9/4762=12...(30) HG2 LYS 77 + HZ PHE 97 OK 45 58 - 78 - 2.9/6412=12, ~4761=10...(23) HG3 LYS 77 - HZ PHE 97 OK 44 57 - 78 - 2.9/6412=12, ~4761=10...(23) HB3 LYS 63 - QE PHE 97 OK 21 65 - 32 - 1.8/5973=4, 3.0/5972=4...(13) HB3 PRO 49 - QE PHE 97 OK 11 99 - 11 - 5630=4, 5630/2.2=3, 2.3/6976=1 HB3 LYS 63 - HZ PHE 97 OK 11 35 - 30 - 1.8/5973=5, ~5973=3...(13) HB3 PRO 49 - HZ PHE 97 poor 7 62 - 11 - 5630/2.2=4, 5630=3 HG3 LYS 44 - QE PHE 97 lone 4 100 - 4 - HG3 LYS 44 - HZ PHE 97 lone 2 65 - 3 - HB3 LYS 94 - QE PHE 97 lone 2 85 - 2 - HD2 LYS 86 - QE PHE 97 lone 2 93 - 2 - HB3 GLU 87 - QE PHE 97 lone 2 100 - 1 - HB3 LYS 94 - HZ PHE 97 lone 1 48 - 2 - HB3 GLU 87 - HZ PHE 97 lone 1 64 - 1 - HD2 LYS 86 - HZ PHE 97 lone 1 55 - 1 - Peak 4768 from aronoe.peaks (-0.19, 7.17, 129.18 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.93: QD1 ILE 80 + QE PHE 97 OK 74 98 - 75 - 6537/2.2=28, 6538=17...(18) QD2 LEU 21 + QE PHE 97 OK 42 100 - 42 - 4765/2.2=13, 4803/4.4=9...(9) QD1 ILE 80 + HZ PHE 97 OK 38 62 - 62 - 6537/3.8=19, 6538/2.2=12...(16) QD2 LEU 21 + HZ PHE 97 OK 22 65 - 33 - 4765/3.8=10, 4803/5.8=6...(8) Peak 4769 from aronoe.peaks (1.97, 7.15, 129.48 ppm; 4.11 A): 3 out of 22 assignments used, quality = 0.93: HB2 LYS 77 + HZ PHE 97 OK 82 96 - 86 - 1.8/4757=24, ~4761=15...(20) HB2 LYS 77 + QE PHE 97 OK 56 62 - 91 - 1.8/4757=18, 7124=16...(27) HB2 GLU 65 + HZ PHE 97 OK 11 97 - 11 - 3.0/3006=2, 3.0/3000=2...(6) HB2 GLU 65 - QE PHE 97 poor 7 63 - 11 - 3.0/3006=2, 3.0/3000=2...(5) HG3 PRO 49 - HZ PHE 97 lone 7 68 - 10 - ~5630=3, 2.3/5630=2, 4203/8.2=1 HB VAL 25 - HZ PHE 97 lone 5 65 - 8 - 2.1/4798=2, 7124/2.2=1, 7124=1 HB VAL 95 - HZ PHE 97 lone 5 83 - 6 - 6879/5.8=3 HG2 GLN 19 - HZ PHE 97 lone 5 98 - 5 - 4743=1 HG3 PRO 49 - QE PHE 97 poor 4 40 - 11 - 2.3/5630=3, ~5630=2, 4203/6.5=2 HB VAL 25 - QE PHE 97 poor 4 38 - 11 - ~4764=3, 7124=2...(4) HB VAL 95 - QE PHE 97 lone 4 51 - 8 - 6879/4.4=4, 2.1/6047=1 HG2 GLN 19 - QE PHE 97 lone 3 65 - 5 - 4743/2.2=1 HG3 PRO 74 - HZ PHE 97 lone 2 87 - 2 - HB3 GLU 28 - HZ PHE 97 lone 2 96 - 2 - HB2 LYS 45 - HZ PHE 97 lone 2 90 - 2 - HB3 LYS 45 - HZ PHE 97 lone 2 90 - 2 - HG3 PRO 74 - QE PHE 97 lone 1 54 - 2 - HB3 GLU 28 - QE PHE 97 lone 1 62 - 2 - HB2 LYS 45 - QE PHE 97 lone 1 57 - 2 - HB3 LYS 45 - QE PHE 97 lone 1 57 - 2 - HG3 PRO 73 - HZ PHE 97 lone 1 90 - 1 - HG3 PRO 73 - QE PHE 97 lone 1 57 - 1 - Peak 4770 from aronoe.peaks (1.71, 7.15, 129.48 ppm; 4.03 A): 6 out of 30 assignments used, quality = 0.93: HD2 LYS 77 + HZ PHE 97 OK 63 100 - 64 - 3.7/4757=15, 3.7/4769=10...(14) HD2 LYS 77 + QE PHE 97 OK 48 68 - 70 - 3.7/4757=11, 1.8/6409=11...(18) HB ILE 80 + QE PHE 97 OK 32 61 - 52 - ~6537=12, ~6972=9...(12) HB ILE 80 + HZ PHE 97 OK 29 95 - 31 - ~4768=7, 3.2/6980=6...(7) HD3 LYS 63 + HZ PHE 97 OK 18 68 - 27 - 3.9/5973=4, ~7216=4...(11) HD3 LYS 63 + QE PHE 97 OK 12 40 - 30 - 1.8/7216=4, 3.9/5974=4...(14) HB ILE 40 - QE PHE 97 poor 7 42 - 15 - ~4764=4, ~4759=2...(7) HB ILE 40 - HZ PHE 97 lone 6 71 - 8 - 2.1/4798=2, 3.0/4797=1...(4) HB2 LEU 53 - HZ PHE 97 lone 5 95 - 6 - ~5785=2, 3.1/5785=2 HB2 LEU 53 - QE PHE 97 lone 4 61 - 6 - 3.1/5785=3, ~5785=1 HD2 LYS 45 - HZ PHE 97 lone 3 100 - 3 - HD3 LYS 45 - HZ PHE 97 lone 3 99 - 3 - HD3 LYS 44 - HZ PHE 97 lone 3 71 - 3 - HD2 LYS 45 - QE PHE 97 lone 2 69 - 4 - HD2 LYS 44 - HZ PHE 97 lone 2 68 - 3 - HD3 LYS 45 - QE PHE 97 lone 2 68 - 4 - HD3 LYS 44 - QE PHE 97 lone 2 42 - 4 - HD2 LYS 61 - HZ PHE 97 lone 2 68 - 2 - HD3 LYS 61 - HZ PHE 97 lone 2 68 - 2 - HD2 LYS 44 - QE PHE 97 lone 2 40 - 4 - HD3 LYS 61 - QE PHE 97 lone 1 40 - 3 - HD2 LYS 61 - QE PHE 97 lone 1 40 - 3 - HG12 ILE 39 - HZ PHE 97 lone 1 92 - 1 - HD3 LYS 35 - HZ PHE 97 lone 1 78 - 1 - HG2 ARG 57 - HZ PHE 97 lone 1 71 - 1 - HG3 ARG 57 - HZ PHE 97 lone 1 65 - 1 - HG12 ILE 39 - QE PHE 97 lone 1 58 - 1 - HD3 LYS 35 - QE PHE 97 lone 0 47 - 1 - HG2 ARG 57 - QE PHE 97 lone 0 42 - 1 - HG3 ARG 57 - QE PHE 97 lone 0 38 - 1 - Peak 4771 from aronoe.peaks (1.56, 7.15, 129.48 ppm; 3.76 A): 4 out of 16 assignments used, quality = 0.99: HG2 LYS 77 + HZ PHE 97 OK 78 100 - 78 - 2.9/4757=17, 2.9/4769=10...(23) HG3 LYS 77 + HZ PHE 97 OK 78 100 - 78 - 2.9/4757=17, 2.9/4769=10...(23) HG2 LYS 77 + QE PHE 97 OK 58 69 - 84 - 2.9/4757=12, 2.9/7124=10...(29) HG3 LYS 77 + QE PHE 97 OK 58 69 - 84 - 2.9/4757=12, 2.9/7124=10...(29) HD2 LYS 63 - HZ PHE 97 OK 15 60 - 25 - 3.9/5973=3, 3.9/5974=3...(13) HB3 PRO 49 - HZ PHE 97 OK 11 100 - 11 - 5630/2.2=3, 5630=2 HD2 LYS 63 - QE PHE 97 poor 8 35 - 24 - 3.9/5974=3, 3.9/5973=3...(13) HB3 PRO 49 - QE PHE 97 poor 7 69 - 11 - 5630/2.2=2, 5630=2, 2.3/6976=1 HG3 LYS 44 - HZ PHE 97 lone 3 97 - 3 - HG3 LYS 44 - QE PHE 97 lone 2 63 - 3 - HB3 GLU 87 - HZ PHE 97 lone 1 99 - 1 - HB3 GLU 87 - QE PHE 97 lone 1 68 - 1 - HB3 LYS 94 - HZ PHE 97 lone 1 63 - 2 - HD2 LYS 86 - HZ PHE 97 lone 1 76 - 1 - HD2 LYS 86 - QE PHE 97 lone 1 45 - 1 - HB3 LYS 94 - QE PHE 97 lone 1 36 - 2 - Peak 4772 from aronoe.peaks (7.42, 6.82, 128.11 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.90: QD PHE 34 + HZ PHE 70 OK 86 99 - 87 - 4856=43, 2.2/4846=26...(15) H ALA 76 + HZ PHE 70 OK 29 83 - 35 - ~6392=8, ~4711=8...(9) H THR 46 - HZ PHE 70 lone 5 99 - 4 - Peak 4773 from aronoe.peaks (3.41, 6.82, 128.11 ppm; 3.56 A): 4 out of 4 assignments used, quality = 0.92: HB2 PHE 34 + HZ PHE 70 OK 81 99 - 82 - 5173=30, 2.4/4856=28...(15) HB2 PHE 70 + HZ PHE 70 OK 43 74 - 59 - 2.5/4576=29, 5.8=23...(8) HA ILE 80 + HZ PHE 70 OK 17 99 - 17 - 6498/4779=5, 3.2/4777=2...(7) HB2 PHE 83 + HZ PHE 70 OK 12 88 - 14 - 5.8/4840=4, 6597/4846=3...(4) Peak 4774 from aronoe.peaks (2.76, 6.82, 128.11 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.92: HB3 PHE 34 + HZ PHE 70 OK 82 92 - 89 - 2.4/4856=34, 5175=32...(16) HB3 PHE 70 + HZ PHE 70 OK 54 78 - 69 - 2.5/4576=36, 5.8=34...(7) HB2 ASP 32 - HZ PHE 70 lone 3 99 - 3 - HB3 ASP 84 - HZ PHE 70 lone 2 85 - 2 - Peak 4775 from aronoe.peaks (1.65, 6.82, 128.11 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.72: HG12 ILE 40 + HZ PHE 70 OK 50 96 - 52 - 2.1/5405=11, 5406/3.8=9...(17) QB ALA 79 + HZ PHE 70 OK 32 83 - 38 - 6465=12, 6493/4779=6...(9) HB VAL 18 + HZ PHE 70 OK 19 94 - 20 - ~4693=3, 4681/4856=3...(7) HG12 ILE 27 - HZ PHE 70 lone 6 96 - 7 - 5452/4780=1 HB2 MET 50 - HZ PHE 70 lone 6 99 - 6 - 6138/4780=1 HD3 LYS 41 - HZ PHE 70 lone 5 74 - 7 - 4834/2.2=1 HD2 LYS 41 - HZ PHE 70 lone 5 74 - 7 - 4834/2.2=1 HG3 GLN 19 - HZ PHE 70 lone 2 99 - 2 - HB3 LYS 61 - HZ PHE 70 lone 2 96 - 2 - HD3 LYS 94 - HZ PHE 70 lone 1 61 - 2 - HD2 LYS 94 - HZ PHE 70 lone 1 61 - 2 - Peak 4776 from aronoe.peaks (1.33, 6.82, 128.11 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.59: HB VAL 68 + HZ PHE 70 OK 54 74 - 74 - 2.1/4780=41...(9) HG12 ILE 93 + HZ PHE 70 OK 10 61 - 17 - 3.2/4778=6, ~6804=2...(6) Peak 4777 from aronoe.peaks (0.84, 6.82, 128.11 ppm; 3.50 A): 4 out of 8 assignments used, quality = 0.94: QG2 ILE 16 + HZ PHE 70 OK 70 98 - 72 - 3.1/4779=26, 4625/3.8=12...(23) QG2 ILE 37 + HZ PHE 70 OK 48 92 - 52 - 5301=15, 3.3/5308=11...(16) QG2 ILE 40 + HZ PHE 70 OK 45 80 - 56 - 3.2/4775=10, 3.3/5405=10...(17) QG1 VAL 30 + HZ PHE 70 OK 35 98 - 35 - 5070/4856=6, 5110/4780=5...(13) QG2 VAL 30 - HZ PHE 70 OK 30 95 - 32 - 5064/2.2=4, 5066/4856=3...(13) QG2 VAL 25 - HZ PHE 70 OK 28 85 - 33 - 1549=5, 2.1/1544=5...(14) QG2 ILE 80 - HZ PHE 70 OK 20 97 - 20 - 3.2/4773=3, 1320/4779=2...(7) QD2 LEU 62 - HZ PHE 70 OK 11 99 - 11 - 2.1/5963=2 Peak 4778 from aronoe.peaks (0.72, 6.82, 128.11 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.78: QD1 ILE 40 + HZ PHE 70 OK 59 69 - 85 - 2.1/4775=19, 5405=17...(26) QG2 ILE 51 + HZ PHE 70 OK 27 98 - 28 - 5754/4780=15, 4751/2.2=3...(5) QG2 ILE 93 + HZ PHE 70 OK 26 99 - 26 - 3.2/4776=5, 6804/2.2=4...(9) Peak 4779 from aronoe.peaks (0.25, 6.82, 128.11 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.69: QD1 ILE 16 + HZ PHE 70 OK 69 97 - 71 - 4720/2.2=18, 4634/3.8=17...(23) Peak 4780 from aronoe.peaks (-0.00, 6.82, 128.11 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.84: QG1 VAL 68 + HZ PHE 70 OK 84 96 - 87 - 6159=26, 2.1/4776=25...(21) Peak 4781 from aronoe.peaks (0.73, 6.97, 130.88 ppm; 4.18 A): 4 out of 9 assignments used, quality = 0.94: QD1 ILE 40 + QE PHE 70 OK 73 83 - 88 - 5403/2.2=20, 5405/2.2=18...(27) QG2 ILE 93 + QE PHE 88 OK 50 65 - 78 - 6818/2.2=23, 6834/4.4=18...(15) QG2 ILE 93 + QE PHE 83 OK 34 77 - 44 - ~6807=9, 6804=7, ~4864=7...(11) QD1 ILE 40 + QE PHE 83 OK 32 60 - 53 - 5404=7, 2.1/5407=7...(20) QG2 ILE 93 - QE PHE 70 OK 23 98 - 23 - 4778/2.2=7, 6804=3...(7) QD1 ILE 40 - QE PHE 88 OK 22 49 - 45 - 4748/2.2=8, 5404/2.2=4...(20) QG2 ILE 51 - QE PHE 88 OK 22 62 - 35 - 4748/2.2=10, 6714/4.4=7...(11) QG2 ILE 51 - QE PHE 70 OK 21 96 - 22 - 4778/2.2=7, 5754/4719=6 QG2 ILE 51 - QE PHE 83 OK 10 74 - 14 - 5754/4719=3, 6123/6153=2...(4) Peak 4782 from aronoe.peaks (0.84, 6.97, 130.88 ppm; 3.26 A): 4 out of 24 assignments used, quality = 0.96: QG2 ILE 16 + QE PHE 70 OK 69 99 - 70 - 4625/2.2=16, 3.1/4720=12...(19) QG2 ILE 40 + QE PHE 70 OK 53 83 - 65 - ~5383=7, 5416/5.6=7...(22) QG2 ILE 37 + QE PHE 83 OK 51 72 - 71 - 5300=12, 5303/2.2=8...(25) QG2 ILE 37 + QE PHE 70 OK 45 94 - 48 - 5301/2.2=10, 5300=7...(13) QG2 ILE 16 - QE PHE 83 OK 38 79 - 48 - 4627/2.2=7, 4624=7...(15) QG1 VAL 30 - QE PHE 88 OK 32 67 - 48 - 3.2/5059=7, 2.1/5064=7...(13) QG2 VAL 30 - QE PHE 88 OK 31 62 - 51 - 5064=8, 3.2/5059=7...(15) QG1 VAL 30 - QE PHE 70 OK 30 100 - 30 - 2.1/5064=4, 5069=3...(11) QG2 VAL 30 - QE PHE 70 OK 30 96 - 31 - 5064=5, 4777/2.2=3...(10) QG2 ILE 80 - QE PHE 83 OK 29 77 - 37 - 3366/2.2=9, ~3359=5...(11) QG1 VAL 30 - QE PHE 83 OK 26 79 - 32 - 5069=4, 4836/2.2=3...(14) QG2 VAL 25 - QE PHE 70 OK 24 87 - 28 - 2.1/4878=4, 1549/2.2=4...(9) QG2 VAL 30 - QE PHE 83 OK 24 74 - 32 - 5064/2.2=4, 5064=3...(12) QG2 VAL 25 - QE PHE 88 OK 23 53 - 43 - ~4890=6, 2.1/4878=6...(15) QG2 VAL 25 - QE PHE 83 OK 20 64 - 31 - ~4806=5, 2.1/4878=4...(13) QG2 ILE 40 - QE PHE 83 OK 18 60 - 30 - 3.3/5404=4, 3.2/5407=3...(12) QG2 ILE 80 - QE PHE 70 OK 18 98 - 18 - 4777/2.2=2, 6518/4.4=2...(5) QG2 ILE 37 - QE PHE 88 OK 16 60 - 28 - 4852/2.2=5, ~5299=2...(11) QG2 ILE 16 - QE PHE 88 OK 15 66 - 23 - 4852/2.2=4, 3.1/4720=3...(8) QG2 ILE 80 - QE PHE 88 OK 14 65 - 21 - ~4749=4, ~6723=3...(6) QG2 ILE 40 - QE PHE 88 OK 11 49 - 22 - 4852/2.2=2, 3.3/5404=2...(10) QD2 LEU 62 - QE PHE 70 OK 10 100 - 10 - ~5963=2, 4777/2.2=1 QD2 LEU 62 - QE PHE 83 lone 5 81 - 6 - QD2 LEU 62 - QE PHE 88 lone 3 68 - 5 - Peak 4783 from aronoe.peaks (2.17, 7.03, 129.38 ppm; 4.44 A): 1 out of 10 assignments used, quality = 0.55: HG2 GLU 65 + HZ PHE 17 OK 55 71 - 78 - 3.0/4788=18, 3.0/4789=17...(15) HB2 PRO 73 - HZ PHE 17 lone 5 98 - 5 - 2.3/4788=2, ~4785=2 HB3 LYS 35 - HZ PHE 17 lone 2 97 - 2 - HB3 PRO 92 - HZ PHE 17 lone 2 99 - 2 - HB3 GLU 58 - HZ PHE 17 lone 2 93 - 2 - HG3 GLU 87 - HZ PHE 17 lone 2 58 - 3 - HG3 PRO 92 - HZ PHE 17 lone 1 98 - 1 - HB VAL 30 - HZ PHE 17 lone 1 71 - 2 - HB2 PHE 88 - HZ PHE 17 lone 1 96 - 1 - HB3 GLN 48 - HZ PHE 17 lone 1 63 - 2 - Peak 4784 from aronoe.peaks (2.12, 7.01, 131.29 ppm; 4.89 A): 3 out of 6 assignments used, quality = 0.94: HG3 GLU 65 + QE PHE 17 OK 71 83 - 86 - ~4783=24, 4787/2.2=20...(16) HB2 GLN 19 + QE PHE 17 OK 60 100 - 60 - ~4744=20, 4787/2.2=11...(11) HG2 PRO 74 + QE PHE 17 OK 49 97 - 50 - 4787/2.2=10, 2.3/4786=8...(10) HB3 LYS 77 - QE PHE 17 lone 9 97 - 9 - 4787/2.2=2, 1.8/4785=2...(4) HB2 GLU 58 - QE PHE 17 lone 3 92 - 3 - HB2 GLN 36 - QE PHE 17 lone 3 99 - 3 - Peak 4785 from aronoe.peaks (1.96, 7.01, 131.29 ppm; 4.33 A): 4 out of 11 assignments used, quality = 0.94: HB2 GLU 65 + QE PHE 17 OK 80 96 - 84 - 4788/2.2=20, 1.8/6010=15...(18) HG2 GLN 19 + QE PHE 17 OK 53 97 - 55 - ~4744=19, ~4790=10...(9) HG3 PRO 74 + QE PHE 17 OK 30 85 - 35 - 1.8/4784=8, 4788/2.2=7...(7) HG3 PRO 73 + QE PHE 17 OK 13 92 - 14 - 6330/5.6=5, 4791/2.2=4...(4) HB2 LYS 77 - QE PHE 17 lone 7 94 - 7 - 1.8/4784=2, 4788/2.2=1, ~4787=1 HB VAL 95 - QE PHE 17 lone 6 85 - 7 - 2.1/6919=3, 4791/2.2=2 HB2 LYS 45 - QE PHE 17 lone 3 92 - 3 - HB3 LYS 45 - QE PHE 17 lone 3 92 - 3 - HB3 GLU 28 - QE PHE 17 lone 2 94 - 3 - HG3 PRO 49 - QE PHE 17 lone 2 71 - 2 - HB VAL 25 - QE PHE 17 lone 1 63 - 2 - Peak 4786 from aronoe.peaks (1.84, 7.01, 131.29 ppm; 4.80 A): 4 out of 12 assignments used, quality = 0.91: HB3 GLU 65 + QE PHE 17 OK 77 87 - 89 - 6010=18, 1.8/4785=18...(18) HB2 PRO 74 + QE PHE 17 OK 39 100 - 39 - 2.3/4784=9, ~4787=6...(8) HB ILE 16 + QE PHE 17 OK 25 90 - 28 - 4048/6.5=14, 4663/5.6=5...(7) HB2 LYS 61 + QE PHE 17 OK 19 100 - 19 - ~4792=4, 3.0/4653=3...(7) HB ILE 37 - QE PHE 17 lone 9 94 - 9 - 27/6.5=2, 4663/5.6=1, 7063/2.2=1 HB2 LYS 94 - QE PHE 17 lone 8 83 - 10 - 6865/4784=2, 2.9/4653=2...(6) HB ILE 27 - QE PHE 17 lone 4 73 - 5 - 27/6.5=1 HD3 LYS 77 - QE PHE 17 lone 4 71 - 5 - 3.7/4784=1, 3.7/4785=1 HB ILE 39 - QE PHE 17 lone 3 83 - 3 - 7063/2.2=1 HB2 LYS 44 - QE PHE 17 lone 3 87 - 3 - HB3 LYS 44 - QE PHE 17 lone 2 81 - 3 - HB2 PRO 92 - QE PHE 17 lone 2 71 - 2 - Peak 4787 from aronoe.peaks (2.12, 7.03, 129.38 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.85: HG3 GLU 65 + HZ PHE 17 OK 67 89 - 75 - 3.0/4788=17, 3.0/4789=15...(14) HB2 GLN 19 + HZ PHE 17 OK 35 96 - 37 - 3.0/4790=12, 4784/2.2=9...(7) HG2 PRO 74 + HZ PHE 17 OK 32 88 - 37 - 1.8/4788=7, 4784/2.2=7...(9) HB3 LYS 77 - HZ PHE 17 lone 6 89 - 6 - 1.8/4788=1, 4784/2.2=1 HB2 GLU 58 - HZ PHE 17 lone 2 95 - 2 - HB2 GLN 36 - HZ PHE 17 lone 1 94 - 1 - Peak 4788 from aronoe.peaks (1.97, 7.03, 129.38 ppm; 3.84 A): 3 out of 10 assignments used, quality = 0.86: HB2 GLU 65 + HZ PHE 17 OK 73 97 - 75 - 3.0/4783=18, 1.8/4789=15...(16) HG2 GLN 19 + HZ PHE 17 OK 32 98 - 33 - 1.8/4790=11, 4785/2.2=8...(6) HG3 PRO 74 + HZ PHE 17 OK 25 91 - 28 - 1.8/4787=7, 2.3/4789=5...(7) HG3 PRO 73 - HZ PHE 17 lone 7 80 - 9 - 4791/3.8=2, 2.3/4783=2...(4) HB2 LYS 77 - HZ PHE 17 lone 5 97 - 5 - 1.8/4787=1, 4785/2.2=1 HB VAL 95 - HZ PHE 17 lone 3 71 - 5 - ~6919=2, 4791/3.8=1 HB2 LYS 45 - HZ PHE 17 lone 2 80 - 2 - HB3 LYS 45 - HZ PHE 17 lone 2 80 - 2 - HB3 GLU 28 - HZ PHE 17 lone 1 97 - 1 - HB VAL 25 - HZ PHE 17 lone 1 73 - 1 - Peak 4789 from aronoe.peaks (1.82, 7.03, 129.38 ppm; 4.68 A): 3 out of 9 assignments used, quality = 0.91: HB3 GLU 65 + HZ PHE 17 OK 85 99 - 87 - 3.0/4783=26, 1.8/4788=23...(15) HB2 PRO 74 + HZ PHE 17 OK 32 89 - 36 - 2.3/4787=9, 2.3/4788=7...(8) HB2 LYS 61 + HZ PHE 17 OK 11 88 - 13 - 1.8/4790=4, 7064/2.2=3...(4) HB2 LYS 94 - HZ PHE 17 lone 9 99 - 9 - 6865/4787=2, 7064/2.2=2...(5) HB ILE 39 - HZ PHE 17 lone 5 99 - 5 - 3.9/5376=1 HB2 GLN 48 - HZ PHE 17 lone 3 88 - 3 - HB ILE 93 - HZ PHE 17 lone 2 91 - 3 - HG LEU 62 - HZ PHE 17 lone 2 94 - 2 - HG2 GLU 87 - HZ PHE 17 lone 2 75 - 3 - Peak 4790 from aronoe.peaks (1.63, 7.03, 129.38 ppm; 4.63 A): 4 out of 8 assignments used, quality = 0.68: HG3 GLN 19 + HZ PHE 17 OK 45 88 - 51 - 4744/3.8=20, 1.8/4788=10...(9) HB VAL 18 + HZ PHE 17 OK 28 98 - 28 - 4700/7.2=11, 3.9/38=7...(6) HG12 ILE 40 + HZ PHE 17 OK 11 96 - 11 - 5406=2, 1.8/5393=2...(4) HB3 LYS 61 + HZ PHE 17 OK 10 63 - 16 - 4792/3.8=3, 1.8/4789=3...(5) HD3 LYS 41 - HZ PHE 17 lone 3 98 - 3 - HD2 LYS 41 - HZ PHE 17 lone 3 98 - 3 - HG12 ILE 27 - HZ PHE 17 lone 3 63 - 4 - HB2 MET 50 - HZ PHE 17 lone 2 82 - 3 - Peak 4791 from aronoe.peaks (1.97, 7.11, 131.48 ppm; 4.99 A): 4 out of 11 assignments used, quality = 0.96: HB2 GLU 65 + QD PHE 17 OK 70 96 - 73 - 4788/3.8=18, 4785/2.2=18...(11) HG2 GLN 19 + QD PHE 17 OK 57 98 - 59 - 1.8/4744=35, 4743=13...(5) HG3 PRO 74 + QD PHE 17 OK 50 87 - 58 - ~6335=9, ~6337=8...(12) HG3 PRO 73 + QD PHE 17 OK 35 90 - 39 - 6330/3.7=9, ~6325=9...(7) HB VAL 95 - QD PHE 17 OK 15 83 - 18 - 4.4/4648=9, ~6893=4...(4) HB2 LYS 77 - QD PHE 17 lone 8 95 - 8 - 6369/6388=2, 4785/2.2=2...(4) HB3 GLU 28 - QD PHE 17 lone 4 95 - 4 - 4998/6066=1 HB2 LYS 45 - QD PHE 17 lone 4 90 - 4 - HB3 LYS 45 - QD PHE 17 lone 4 90 - 4 - HG3 PRO 49 - QD PHE 17 lone 2 68 - 4 - HB VAL 25 - QD PHE 17 lone 2 65 - 3 - Peak 4792 from aronoe.peaks (1.64, 7.11, 131.48 ppm; 4.95 A): 3 out of 9 assignments used, quality = 0.90: HG3 GLN 19 + QD PHE 17 OK 68 100 - 68 - 4744=40, 4790/3.8=12...(8) HB VAL 18 + QD PHE 17 OK 57 99 - 58 - 3.9/39=36, 4700/3.7=26...(5) HB3 LYS 61 + QD PHE 17 OK 25 93 - 26 - 3.0/4652=3, 3.0/4652=3...(12) HG12 ILE 40 - QD PHE 17 lone 8 100 - 8 - 4790/3.8=3, 634/4.5=2 HG12 ILE 27 - QD PHE 17 lone 6 93 - 6 - 4664/3.7=2, 634/4.5=1 HD3 LYS 41 - QD PHE 17 lone 5 87 - 6 - 4664/3.7=1, 3.8/4678=1 HD2 LYS 41 - QD PHE 17 lone 5 87 - 6 - 4664/3.7=1, 3.8/4678=1 HB2 MET 50 - QD PHE 17 lone 5 99 - 5 - QB ALA 79 - QD PHE 17 lone 4 73 - 6 - 6463/6388=3 Peak 4794 from aronoe.peaks (2.82, 7.43, 131.91 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.85: HB3 TYR 33 + QD PHE 34 OK 85 99 - 86 - 2.5/4820=27, 5146=21...(18) HB2 ASP 72 - QD PHE 34 lone 3 100 - 2 - HB2 TYR 54 - QD PHE 34 lone 2 100 - 2 - HB2 PHE 17 - QD PHE 34 lone 2 100 - 2 - Peak 4795 from aronoe.peaks (3.90, 7.05, 131.42 ppm; 4.79 A): 3 out of 5 assignments used, quality = 0.96: HB3 SER 75 + QD PHE 70 OK 84 97 - 86 - 6350=34, 1.8/6349=29...(12) HA2 GLY 38 + QD PHE 70 OK 52 68 - 76 - 1.8/5325=25, 3.0/5329=22...(12) HA ALA 31 + QD PHE 70 OK 46 100 - 46 - 5089/5403=11...(9) HD3 PRO 73 - QD PHE 70 OK 28 93 - 30 - 4.8/6300=13, 6224/2.5=6...(7) HA2 GLY 85 - QD PHE 70 lone 5 94 - 6 - Peak 4796 from aronoe.peaks (1.19, 6.97, 130.88 ppm; 4.39 A): 3 out of 9 assignments used, quality = 0.94: HG13 ILE 37 + QE PHE 83 OK 64 70 - 90 - 7200/2.2=17, ~7201=15...(27) HG13 ILE 16 + QE PHE 70 OK 60 68 - 88 - ~4779=28, 2.1/4720=24...(20) HG13 ILE 37 + QE PHE 70 OK 58 93 - 63 - ~5308=16, ~5301=9...(20) HG13 ILE 16 - QE PHE 83 OK 29 48 - 62 - 2.1/4720=13, ~4636=10...(17) HG13 ILE 37 - QE PHE 88 OK 26 58 - 45 - 5306/2.2=8, ~5304=6...(13) HB3 LYS 41 - QE PHE 70 OK 23 100 - 23 - 5477/5.6=11, 5432/5384=3...(7) HG13 ILE 16 - QE PHE 88 OK 12 39 - 31 - 2.1/4720=6, ~4628=5...(13) HB3 LYS 41 - QE PHE 83 poor 9 80 - 11 - ~4737=2, ~4736=1, 5432/5384=1 HB3 LYS 41 - QE PHE 88 lone 4 68 - 6 - 7084/5059=1 Peak 4797 from aronoe.peaks (3.77, 7.15, 129.48 ppm; 4.07 A): 2 out of 18 assignments used, quality = 0.85: HA LYS 77 + HZ PHE 97 OK 72 89 - 81 - 3.0/4757=18, 7211=18...(18) HA LYS 77 + QE PHE 97 OK 45 55 - 81 - 7211=17, 4759/2.2=16...(19) HA2 GLY 22 - QE PHE 97 poor 9 69 - 13 - 4843/2.2=4, ~4845=4, ~4841=3 HA ILE 40 - HZ PHE 97 lone 8 89 - 9 - 4759/3.8=2, 3.2/4798=2 HA ILE 40 - QE PHE 97 poor 7 55 - 13 - 4759/2.2=3, ~4764=3...(4) HA2 GLY 22 - HZ PHE 97 lone 6 100 - 6 - 4843/3.8=4 HA2 GLY 64 - HZ PHE 97 lone 6 57 - 10 - 3.0/1108=4, 4.9/5972=2, ~1108=2 HA VAL 30 - QE PHE 97 poor 4 36 - 12 - ~5065=3, ~5055=3...(4) HA2 GLY 64 - QE PHE 97 poor 3 33 - 11 - 3.0/1108=4, 4.9/5972=3, ~1108=2 HA VAL 30 - HZ PHE 97 lone 3 63 - 4 - HA SER 89 - QE PHE 97 lone 3 40 - 6 - 4759/2.2=2, ~6730=2, ~6735=1 HA SER 89 - HZ PHE 97 lone 2 68 - 3 - 6979/3.8=1 HD2 PRO 92 - HZ PHE 97 lone 1 85 - 2 - HB3 SER 11 - HZ PHE 97 lone 1 93 - 1 - HA2 GLY 60 - HZ PHE 97 lone 1 99 - 1 - HD2 PRO 92 - QE PHE 97 lone 1 52 - 2 - HA2 GLY 60 - QE PHE 97 lone 1 66 - 1 - HB3 SER 11 - QE PHE 97 lone 1 60 - 1 - Peak 4798 from aronoe.peaks (0.82, 7.15, 129.48 ppm; 4.80 A): 9 out of 18 assignments used, quality = 0.91: QG2 ILE 80 + HZ PHE 97 OK 43 78 - 55 - ~4768=10, 3.0/6980=9...(12) QG2 ILE 80 + QE PHE 97 OK 35 47 - 74 - ~6537=18, ~6972=14...(16) QG2 ILE 16 + QE PHE 97 OK 29 66 - 44 - 4764/2.2=16, ~4618=13...(6) QG2 ILE 16 + HZ PHE 97 OK 25 99 - 26 - 4764/3.8=12, 7058/7.2=8...(5) QG2 ILE 40 + HZ PHE 97 OK 20 99 - 20 - 4764/3.8=6, 5385/8.2=2...(8) QG2 ILE 40 + QE PHE 97 OK 18 68 - 26 - 4764/2.2=8, 5385/6.5=3...(8) QG2 VAL 25 + HZ PHE 97 OK 15 100 - 15 - 4764/3.8=4, ~6976=1...(5) QG2 VAL 25 + QE PHE 97 OK 13 69 - 19 - 4764/2.2=5, ~4764=3...(6) QG1 VAL 30 + QE PHE 97 OK 10 52 - 19 - ~5065=5, 4764/2.2=4...(5) QG1 VAL 30 - HZ PHE 97 poor 10 85 - 12 - 4764/3.8=3, ~4758=2 QG2 VAL 30 - HZ PHE 97 poor 9 71 - 12 - 5065/3.8=4, ~4758=2 QG2 ILE 37 - QE PHE 97 poor 8 38 - 21 - 6971/2.2=5, ~4143=3...(6) QG2 VAL 30 - QE PHE 97 poor 8 42 - 18 - 5065/2.2=5, ~4764=3...(5) QG1 VAL 25 - HZ PHE 97 poor 7 57 - 12 - 4764/3.8=3, ~6976=1...(5) QG1 VAL 25 - QE PHE 97 poor 6 33 - 18 - ~4764=4, 4764/2.2=4...(5) QG2 ILE 37 - HZ PHE 97 lone 6 65 - 9 - 6971/3.8=4 QD2 LEU 62 - HZ PHE 97 lone 6 90 - 6 - 286/5971=1 QD2 LEU 62 - QE PHE 97 lone 4 57 - 7 - 4764/2.2=1, 286/5971=1 Peak 4799 from aronoe.peaks (4.26, 7.56, 131.98 ppm; 3.61 A): 4 out of 8 assignments used, quality = 0.80: HA ALA 79 + QD PHE 83 OK 66 99 - 67 - 4320=16, 2.1/4321=12...(22) HA3 GLY 85 + QD PHE 83 OK 18 100 - 18 - 3.6/6671=8, 1208/4.4=3...(4) HA VAL 68 + QD PHE 83 OK 16 93 - 17 - ~4719=3, ~6163=2...(6) HD2 PRO 73 + QD PHE 83 OK 15 92 - 16 - 6320/2.4=3, 3.0/4734=3...(6) HA LYS 63 - QD PHE 83 lone 5 97 - 5 - 1208/4.4=1 HA LYS 45 - QD PHE 83 lone 5 90 - 5 - 3.6/4813=2 HA3 GLY 64 - QD PHE 83 lone 3 83 - 4 - HA GLU 58 - QD PHE 83 lone 3 100 - 3 - Peak 4800 from aronoe.peaks (4.62, 7.56, 131.98 ppm; 3.68 A): 0 out of 3 assignments used, low quality = 0.00: HA ASP 56 - QD PHE 83 lone 6 100 - 6 - 3.0/5880=4 HA ASP 12 - QD PHE 83 lone 1 85 - 1 - HA ASN 13 - QD PHE 83 lone 1 100 - 1 - Peak 4801 from aronoe.peaks (5.24, 7.56, 131.98 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.78: HD1 TRP 82 + QD PHE 83 OK 75 89 - 85 - 4721=30, 4839/2.2=25...(16) HA SER 69 + QD PHE 83 OK 11 100 - 11 - 4818/2.2=4, 380/4.4=2 Peak 4802 from aronoe.peaks (4.31, 6.99, 131.09 ppm; 5.24 A): 4 out of 8 assignments used, quality = 0.79: HA PHE 34 + QE PHE 83 OK 47 71 - 66 - 4804/2.2=22, 7155/2.2=13...(14) HA PHE 34 + QE PHE 70 OK 39 45 - 86 - ~5173=23, ~5175=21...(14) HA ASP 32 + QE PHE 83 OK 21 100 - 21 - 4804/2.2=5, 1160/5171=3...(7) HA ASP 81 + QE PHE 83 OK 19 99 - 19 - ~365=6, 7079/5307=4, 4804/2.2=4 HA ASP 32 - QE PHE 70 poor 10 72 - 14 - 3.6/5139=3, 1160/5171=3 HA ASP 81 - QE PHE 70 lone 6 72 - 8 - 7079/5307=2 HB THR 59 - QE PHE 83 lone 4 90 - 5 - 4804/2.2=1 HB THR 59 - QE PHE 70 lone 2 61 - 3 - Peak 4803 from aronoe.peaks (1.85, 6.99, 131.09 ppm; 4.19 A): 4 out of 22 assignments used, quality = 0.99: HB ILE 37 + QE PHE 83 OK 88 100 - 88 - 7202/2.2=15, 5299=13...(26) HB ILE 16 + QE PHE 83 OK 63 99 - 64 - 3.2/4838=13, 4808/2.2=11...(17) HB ILE 16 + QE PHE 70 OK 60 72 - 84 - ~4779=19, ~4634=16...(20) HB ILE 37 + QE PHE 70 OK 48 73 - 66 - ~5308=11, ~5301=11...(18) HB ILE 27 - QE PHE 83 lone 9 93 - 9 - ~4735=2, 4808/2.2=1...(5) HB2 PRO 74 - QE PHE 83 lone 5 92 - 5 - ~4807=1, 4808/2.2=1, ~4806=1 HB ILE 27 - QE PHE 70 lone 4 64 - 7 - ~4775=1 HB2 LYS 61 - QE PHE 83 lone 4 93 - 5 - HD3 LYS 77 - QE PHE 83 lone 4 92 - 4 - HB2 PRO 92 - QE PHE 83 lone 4 92 - 4 - ~4612=2 HB2 LYS 44 - QE PHE 83 lone 3 99 - 3 - HB3 LYS 44 - QE PHE 83 lone 3 97 - 3 - HB2 LYS 63 - QE PHE 83 lone 2 60 - 4 - HB3 GLU 65 - QE PHE 70 lone 2 39 - 5 - ~6008=1 HB2 LYS 61 - QE PHE 70 lone 2 64 - 3 - HD3 LYS 77 - QE PHE 70 lone 2 62 - 3 - HB3 GLU 65 - QE PHE 83 lone 1 63 - 2 - HB2 LYS 44 - QE PHE 70 lone 1 70 - 2 - HB3 LYS 44 - QE PHE 70 lone 1 67 - 2 - HB2 PRO 92 - QE PHE 70 lone 1 62 - 2 - HB2 PRO 74 - QE PHE 70 lone 1 62 - 1 - HB2 LYS 63 - QE PHE 70 lone 1 37 - 2 - Peak 4804 from aronoe.peaks (4.33, 6.95, 129.71 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.53: HA PHE 34 + HZ PHE 83 OK 47 99 - 47 - 5172/2.2=15, 7155/3.8=13...(11) HA ASP 32 + HZ PHE 83 OK 11 76 - 15 - 3.6/5139=7, 4802/2.2=3 HA ASP 81 - HZ PHE 83 lone 8 96 - 9 - 7079/7201=3, 4802/2.2=3 HB THR 59 - HZ PHE 83 lone 2 100 - 2 - HA LYS 61 - HZ PHE 83 lone 2 65 - 3 - Peak 4806 from aronoe.peaks (1.99, 6.95, 129.71 ppm; 4.25 A): 2 out of 9 assignments used, quality = 0.62: HB3 GLN 36 + HZ PHE 83 OK 42 71 - 60 - 1.8/4807=20, 4.6/4840=15...(11) HB VAL 25 + HZ PHE 83 OK 35 100 - 35 - 4877=6, 2.1/4836=5...(10) HB2 LYS 77 - HZ PHE 83 lone 6 96 - 6 - 1.8/4807=2, 4877=1 HG3 PRO 74 - HZ PHE 83 lone 5 99 - 4 - 1.8/4807=2, 2.3/4808=1 HG2 PRO 49 - HZ PHE 83 lone 3 95 - 3 - HG2 GLN 19 - HZ PHE 83 lone 2 92 - 3 - HB3 GLU 28 - HZ PHE 83 lone 2 96 - 2 - HB2 GLU 23 - HZ PHE 83 lone 2 92 - 2 - HB2 GLU 65 - HZ PHE 83 lone 2 95 - 2 - Peak 4807 from aronoe.peaks (2.09, 6.95, 129.71 ppm; 4.67 A): 2 out of 7 assignments used, quality = 0.55: HB2 GLN 36 + HZ PHE 83 OK 47 73 - 64 - 1.8/4806=19, 4.6/4840=18...(11) HB2 LYS 86 + HZ PHE 83 OK 16 87 - 19 - 6672/3.8=13, 6661/7.2=6 HB3 LYS 77 - HZ PHE 83 lone 5 83 - 6 - 1.8/4806=3 HG2 PRO 74 - HZ PHE 83 lone 4 85 - 5 - 1.8/4806=2, 2.3/4808=1 HB2 GLU 28 - HZ PHE 83 lone 2 97 - 2 - HB2 GLN 19 - HZ PHE 83 lone 2 68 - 3 - HB3 GLU 23 - HZ PHE 83 lone 1 65 - 2 - Peak 4808 from aronoe.peaks (1.85, 6.95, 129.71 ppm; 4.58 A): 2 out of 12 assignments used, quality = 0.92: HB ILE 37 + HZ PHE 83 OK 81 99 - 82 - 7202=20, 3.2/7201=18...(20) HB ILE 16 + HZ PHE 83 OK 60 97 - 62 - ~4838=9, 2.1/4836=9...(19) HB ILE 27 - HZ PHE 83 lone 7 85 - 8 - 2.8/4863=2, 4803/2.2=1 HB2 PRO 74 - HZ PHE 83 lone 6 97 - 6 - 2.3/4807=2, 2.3/4806=2 HD3 LYS 77 - HZ PHE 83 lone 5 83 - 6 - 3.7/4806=2, 3.7/4807=2 HB2 LYS 61 - HZ PHE 83 lone 4 98 - 4 - HB3 GLU 65 - HZ PHE 83 lone 2 76 - 3 - HB2 LYS 44 - HZ PHE 83 lone 2 95 - 2 - HB3 LYS 44 - HZ PHE 83 lone 2 90 - 2 - HB2 LYS 94 - HZ PHE 83 lone 2 71 - 3 - HB2 PRO 92 - HZ PHE 83 lone 1 83 - 2 - HB ILE 39 - HZ PHE 83 lone 1 71 - 2 - Peak 4811 from aronoe.peaks (5.83, 6.95, 130.77 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.80: QD TYR 33 + QE PHE 88 OK 76 87 - 87 - 6701/2.2=34, 2.5/4745=30...(16) QD TYR 33 + QE PHE 70 OK 20 53 - 38 - 2.5/4745=7, 2.5/5142=7...(10) Peak 4812 from aronoe.peaks (7.42, 6.99, 131.09 ppm; 4.61 A): 4 out of 8 assignments used, quality = 0.96: QD PHE 34 + QE PHE 83 OK 76 94 - 81 - 4813/2.2=21, ~4731=15...(26) QD PHE 34 + QE PHE 70 OK 61 65 - 94 - 4856/2.2=39, ~4846=32...(24) HE3 TRP 82 + QE PHE 83 OK 31 71 - 44 - 5.1/4839=14, 5.3/6566=12...(7) H ALA 76 + QE PHE 70 OK 31 39 - 80 - ~6391=21, ~6393=21...(13) H ALA 76 - QE PHE 83 OK 29 63 - 46 - 3.0/6392=11, ~6396=8...(12) H THR 46 - QE PHE 83 OK 11 99 - 11 - 4813/2.2=3, 4663/4817=1 H THR 46 - QE PHE 70 lone 5 71 - 8 - 4772/2.2=2 HE3 TRP 82 - QE PHE 70 lone 4 45 - 9 - 5.1/4839=2, 5309/5307=2 Peak 4813 from aronoe.peaks (7.42, 7.56, 131.98 ppm; 4.23 A): 4 out of 4 assignments used, quality = 0.89: QD PHE 34 + QD PHE 83 OK 76 95 - 81 - 2.2/4731=20, 4676=19...(25) HE3 TRP 82 + QD PHE 83 OK 30 71 - 43 - 5.1/4801=15, 4.2/6557=11...(7) H ALA 76 + QD PHE 83 OK 28 63 - 44 - 2.9/6396=10, 3.0/4467=8...(14) H THR 46 + QD PHE 83 OK 11 99 - 11 - 4812/2.2=1, 4663/5158=1 Peak 4814 from aronoe.peaks (5.85, 6.22, 131.90 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.86: QD TYR 33 + QD PHE 88 OK 86 99 - 87 - 7129/2.2=19, 2.5/4860=18...(22) Peak 4815 from aronoe.peaks (5.85, 6.88, 130.25 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.97: QD TYR 33 + QE PHE 34 OK 97 100 - 97 - 4820/2.2=38, 4656=28...(23) Peak 4816 from aronoe.peaks (4.05, 6.95, 130.77 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.72: HB3 SER 29 + QE PHE 88 OK 48 76 - 64 - 5018/2.2=20, ~4849=19...(8) HA3 GLY 38 + QE PHE 70 OK 21 39 - 55 - ~5327=17, 5325/2.2=15...(6) HA LYS 41 + QE PHE 70 OK 18 67 - 27 - ~5485=21, 3.0/6232=2 HA3 GLY 38 + QE PHE 88 OK 15 68 - 22 - 5326/2.2=6, 1.8/5328=5...(5) HA LYS 41 - QE PHE 88 lone 7 100 - 7 - 5470/4743=2 HB3 SER 29 - QE PHE 70 lone 4 44 - 8 - 4.6/5054=3, 1.8/7070=1 Peak 4817 from aronoe.peaks (6.20, 6.99, 131.09 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.67: QE TYR 33 + QE PHE 83 OK 47 83 - 56 - 4841/2.2=20, 4732/2.2=16...(11) QD PHE 88 + QE PHE 83 OK 38 90 - 42 - 4629=12, 4841/2.2=11...(5) QD PHE 88 - QE PHE 70 poor 8 61 - 13 - 4629=3 QE TYR 33 - QE PHE 70 poor 7 54 - 13 - 2.2/4659=2, 5150=2...(5) Peak 4818 from aronoe.peaks (5.25, 6.99, 131.09 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.91: HD1 TRP 82 + QE PHE 83 OK 85 100 - 85 - 4723/2.2=34, 4801/2.2=31...(14) HA SER 69 + QE PHE 70 OK 20 61 - 33 - 3.6/6217=25, 6197/6160=4 HA SER 69 + QE PHE 83 OK 17 90 - 19 - 3.6/6217=5, 4801/2.2=5...(5) HD1 TRP 82 + QE PHE 70 OK 12 72 - 17 - 4839=4, 5315/5307=3...(5) Peak 4819 from aronoe.peaks (6.21, 7.43, 131.91 ppm; 4.74 A): 2 out of 2 assignments used, quality = 0.96: QE TYR 33 + QD PHE 34 OK 88 92 - 96 - 2.2/4820=43, 4.4/4794=29...(21) QD PHE 88 + QD PHE 34 OK 64 97 - 66 - 6701/4820=15...(19) Peak 4820 from aronoe.peaks (5.84, 7.43, 131.91 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.96: QD TYR 33 + QD PHE 34 OK 96 100 - 96 - 2.5/4794=35, 4815/2.2=33...(22) Peak 4823 from aronoe.peaks (6.21, 6.89, 129.16 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.92: QE TYR 33 + HZ PHE 34 OK 82 92 - 89 - ~4815=28, 4661/2.2=23...(23) QD PHE 88 + HZ PHE 34 OK 55 97 - 57 - 5186/2.2=14, 4819/3.8=12...(19) Peak 4825 from aronoe.peaks (1.64, 6.89, 129.16 ppm; 4.77 A): 2 out of 9 assignments used, quality = 0.96: HB VAL 18 + HZ PHE 34 OK 95 100 - 95 - 2.1/4830=47, ~4690=32...(22) HG12 ILE 40 + HZ PHE 34 OK 35 100 - 35 - 4681/3.8=10, 4686/2.2=10...(9) QB ALA 79 - HZ PHE 34 OK 30 68 - 44 - 6463/3.8=9, 6492/4830=8...(15) HG12 ILE 27 - HZ PHE 34 OK 21 90 - 23 - 2.1/4827=5, ~4688=4...(5) HB2 MET 50 - HZ PHE 34 OK 12 99 - 12 - 4686/2.2=2, 4681/3.8=2 HG3 GLN 19 - HZ PHE 34 lone 7 100 - 7 - 4686/2.2=1 HD2 LYS 41 - HZ PHE 34 lone 5 90 - 5 - HD3 LYS 41 - HZ PHE 34 lone 5 90 - 5 - HB3 LYS 61 - HZ PHE 34 lone 4 90 - 4 - Peak 4826 from aronoe.peaks (1.09, 6.89, 129.16 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.93: QG2 VAL 95 + HZ PHE 34 OK 77 97 - 80 - 6916=25, 6916/2.2=19...(24) HG LEU 21 + HZ PHE 34 OK 70 92 - 76 - 2.1/4832=17, 4687/2.2=15...(18) QG2 THR 99 - HZ PHE 34 lone 4 99 - 4 - 4687/2.2=1 Peak 4827 from aronoe.peaks (0.97, 6.89, 129.16 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.91: QG1 VAL 95 + HZ PHE 34 OK 80 95 - 85 - 2.1/6916=26, 4688/2.2=24...(20) QB ALA 66 + HZ PHE 34 OK 44 99 - 44 - 4688/2.2=14, 6912/4830=6...(15) QD1 ILE 27 + HZ PHE 34 OK 18 85 - 21 - 4688/2.2=7, 2.1/4825=4...(6) Peak 4828 from aronoe.peaks (0.84, 6.89, 129.16 ppm; 3.58 A): 4 out of 10 assignments used, quality = 0.96: QG1 VAL 30 + HZ PHE 34 OK 62 100 - 62 - 5068/2.2=15, 5068=15...(16) QG2 VAL 30 + HZ PHE 34 OK 57 100 - 58 - 5063/2.2=11, 2.1/5068=10...(18) QG1 VAL 18 + HZ PHE 34 OK 56 71 - 80 - 2.1/4830=32, ~4690=18...(15) QG2 ILE 16 + HZ PHE 34 OK 47 92 - 52 - 3.1/4831=12, 7203=10...(11) QG2 ILE 80 - HZ PHE 34 OK 34 100 - 33 - 3.0/4832=6, ~4692=5...(12) QG2 ILE 37 - HZ PHE 34 OK 27 100 - 27 - 7203=11, 5302/3.8=5...(6) QG2 VAL 25 - HZ PHE 34 OK 21 65 - 32 - 2.1/4829=8, ~4833=5...(7) QD2 LEU 62 - HZ PHE 34 OK 11 99 - 10 - 5063/2.2=1, 5066/3.8=1, ~5208=1 QG2 ILE 40 - HZ PHE 34 OK 10 60 - 17 - 4682/3.8=3, 3.2/4825=3...(6) QD1 ILE 51 - HZ PHE 34 poor 10 65 - 15 - 5712/3.8=5, 5739/5.8=2 Peak 4829 from aronoe.peaks (0.78, 6.89, 129.16 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.80: QD1 ILE 93 + HZ PHE 34 OK 65 99 - 66 - 6809=23, 6809/2.2=19...(18) QG1 VAL 25 + HZ PHE 34 OK 27 96 - 29 - 4833/2.2=9, 4912/4832=4...(8) QD1 LEU 53 + HZ PHE 34 OK 20 97 - 20 - 4833/2.2=6, ~5786=2...(5) Peak 4830 from aronoe.peaks (0.66, 6.89, 129.16 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.79: QG2 VAL 18 + HZ PHE 34 OK 79 97 - 82 - 4690/2.2=30, 4694=24...(18) Peak 4831 from aronoe.peaks (0.26, 6.89, 129.16 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.87: QD1 ILE 16 + HZ PHE 34 OK 70 100 - 70 - 4632/2.2=29, 4635/3.8=15...(18) QD1 LEU 21 + HZ PHE 34 OK 57 68 - 83 - 2.1/4832=20, 2.1/4826=18...(26) Peak 4832 from aronoe.peaks (-0.20, 6.89, 129.16 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 21 + HZ PHE 34 OK 89 98 - 90 - 4692/2.2=25, 4777=22...(25) QD1 ILE 80 + HZ PHE 34 OK 47 89 - 53 - 4692/2.2=15, 4727/4830=6...(20) Peak 4833 from aronoe.peaks (0.78, 6.88, 130.25 ppm; 3.70 A): 3 out of 3 assignments used, quality = 0.87: QD1 ILE 93 + QE PHE 34 OK 74 100 - 74 - 6809=26, 4829/2.2=20...(21) QG1 VAL 25 + QE PHE 34 OK 37 98 - 38 - 4829/2.2=8, 4912/4692=4...(18) QD1 LEU 53 + QE PHE 34 OK 23 93 - 25 - 4829/2.2=6, 2.1/5786=2...(9) Peak 4834 from aronoe.peaks (1.64, 6.99, 131.09 ppm; 3.93 A): 4 out of 18 assignments used, quality = 0.90: HG12 ILE 40 + QE PHE 70 OK 60 74 - 82 - 5406/2.2=16, 4775/2.2=15...(21) HG12 ILE 40 + QE PHE 83 OK 45 100 - 46 - 4735/2.2=8, 5407=7...(15) QB ALA 79 + QE PHE 83 OK 42 65 - 64 - 4735/2.2=13, 2.1/6467=13...(15) HB VAL 18 + QE PHE 83 OK 21 100 - 22 - 4735/2.2=5, 2.1/4697=4...(5) HB VAL 18 - QE PHE 70 OK 17 73 - 24 - 4775/2.2=6, 2.1/4693=6...(4) QB ALA 79 - QE PHE 70 OK 15 41 - 37 - 6465/2.2=13, 6464=7...(7) HD3 LYS 41 - QE PHE 70 OK 12 62 - 19 - ~6229=4, ~4716=3...(9) HD2 LYS 41 - QE PHE 70 OK 12 62 - 19 - ~6229=4, ~4716=3...(9) HB2 MET 50 - QE PHE 83 OK 10 98 - 10 - 4735/2.2=3, ~4734=1, ~6673=1 HG12 ILE 27 - QE PHE 83 poor 9 89 - 10 - 4735/2.2=3, ~4863=1, 5407=1 HD3 LYS 41 - QE PHE 83 lone 8 92 - 8 - 4735/2.2=2, ~4737=1...(4) HD2 LYS 41 - QE PHE 83 lone 8 92 - 8 - 4735/2.2=2, ~4737=1...(4) HB2 MET 50 - QE PHE 70 lone 6 69 - 8 - 4775/2.2=2 HG12 ILE 27 - QE PHE 70 lone 5 59 - 8 - 4775/2.2=2, 5406/2.2=1 HB3 LYS 61 - QE PHE 83 lone 3 89 - 4 - HG3 GLN 19 - QE PHE 83 lone 3 99 - 3 - HG3 GLN 19 - QE PHE 70 lone 2 72 - 2 - HB3 LYS 61 - QE PHE 70 lone 1 59 - 2 - Peak 4835 from aronoe.peaks (0.83, 6.99, 131.09 ppm; 3.51 A): 4 out of 16 assignments used, quality = 0.97: QG2 ILE 37 + QE PHE 83 OK 72 92 - 79 - 5300=12, 5303/2.2=9...(27) QG2 ILE 16 + QE PHE 83 OK 56 100 - 56 - 3.1/4838=9, 4627/2.2=9...(16) QG2 ILE 16 + QE PHE 70 OK 55 73 - 75 - 4625/2.2=19, ~4779=13...(19) QG2 ILE 80 + QE PHE 83 OK 42 97 - 43 - 3366/2.2=10, ~3359=6...(11) QG2 ILE 40 - QE PHE 70 OK 41 57 - 72 - 5416/5.6=9, ~5383=9...(22) QG1 VAL 30 - QE PHE 83 OK 36 99 - 36 - 5069=4, 5071/2.2=4...(13) QG2 ILE 37 - QE PHE 70 OK 33 62 - 54 - 5301/2.2=12, ~5308=7...(14) QG2 VAL 30 - QE PHE 83 OK 33 94 - 35 - 5064/2.2=4, 2.1/5069=3...(13) QG2 VAL 25 - QE PHE 83 OK 31 90 - 35 - ~4806=5, 4879=4...(13) QG2 ILE 40 - QE PHE 83 OK 30 87 - 35 - 3.2/5407=4, 3.3/5404=4...(13) QG1 VAL 30 - QE PHE 70 OK 22 71 - 31 - 5069=4, 4777/2.2=4...(12) QG2 VAL 30 - QE PHE 70 OK 21 65 - 32 - 4777/2.2=3, 5064=3...(12) QG2 VAL 25 - QE PHE 70 OK 18 61 - 29 - 1549/2.2=5, 2.1/4878=4...(9) QG2 ILE 80 - QE PHE 70 OK 13 68 - 19 - 6518/4.4=2, 4777/2.2=2...(6) QD2 LEU 62 - QE PHE 70 poor 8 73 - 11 - ~5963=2, 4777/2.2=1, 5960/5.6=1 QD2 LEU 62 - QE PHE 83 lone 8 100 - 8 - 4738/2.2=1 Peak 4836 from aronoe.peaks (0.83, 6.95, 129.71 ppm; 3.89 A): 5 out of 8 assignments used, quality = 0.95: QG2 ILE 37 + HZ PHE 83 OK 65 92 - 71 - 3.3/7201=13, 2.1/4808=13...(21) QG2 ILE 16 + HZ PHE 83 OK 54 100 - 55 - 2.1/4808=9, 4627/3.8=7...(17) QG1 VAL 30 + HZ PHE 83 OK 36 99 - 37 - 2.1/5064=5, 5069/2.2=4...(13) QG2 VAL 30 + HZ PHE 83 OK 33 95 - 35 - 5064=7, 5064/2.2=4...(13) QG2 VAL 25 + HZ PHE 83 OK 31 90 - 35 - 2.1/4806=11, 4879/2.2=4...(11) QG2 ILE 80 - HZ PHE 83 OK 26 97 - 27 - 3366/3.8=8, ~6536=4...(9) QG2 ILE 40 - HZ PHE 83 OK 24 87 - 28 - ~5407=3, 5392/2.2=3...(10) QD2 LEU 62 - HZ PHE 83 lone 7 100 - 7 - 4738/3.8=1 Peak 4838 from aronoe.peaks (0.26, 6.99, 131.09 ppm; 4.01 A): 4 out of 4 assignments used, quality = 0.92: QD1 ILE 16 + QE PHE 83 OK 68 100 - 68 - 4636/2.2=12, 4633=11...(25) QD1 ILE 16 + QE PHE 70 OK 66 73 - 90 - 4779/2.2=37, 4634/2.2=30...(26) QD1 LEU 21 + QE PHE 83 OK 19 76 - 26 - 4785=3, ~4776=3...(8) QD1 LEU 21 + QE PHE 70 OK 12 49 - 25 - 7045/2.2=6, 2.1/4776=3...(7) Peak 4839 from aronoe.peaks (6.98, 5.26, 126.58 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.60: QE PHE 83 + HD1 TRP 82 OK 54 100 - 55 - 2.2/4721=20, 6566/2.6=15...(10) HZ PHE 88 + HD1 TRP 82 OK 13 100 - 14 - 6566/2.6=4, 6559/3.9=2...(5) QE PHE 70 - HD1 TRP 82 lone 8 90 - 9 - 4818=2, 5307/5315=2, 6566/2.6=1 HE22 GLN 48 - HD1 TRP 82 lone 8 99 - 8 - 6566/2.6=2, 6559/3.9=1 HE22 GLN 19 - HD1 TRP 82 lone 4 70 - 5 - 6559/3.9=1, 6560/4.5=1 HD21 ASN 52 - HD1 TRP 82 lone 3 100 - 3 - HD21 ASN 24 - HD1 TRP 82 lone 3 96 - 3 - Peak 4840 from aronoe.peaks (6.81, 6.95, 129.71 ppm; 3.87 A): 0 out of 2 assignments used, low quality = 0.38: HE21 GLN 36 - HZ PHE 83 OK 27 63 - 44 - 1.7/7170=14, 4.6/4807=10...(8) HZ PHE 70 - HZ PHE 83 OK 15 96 - 16 - 5182/4804=3, 5308/7201=3...(5) Peak 4841 from aronoe.peaks (6.21, 6.95, 129.71 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.70: QE TYR 33 + HZ PHE 83 OK 55 99 - 56 - 4817/2.2=14, 4662=13...(12) QD PHE 88 + HZ PHE 83 OK 32 100 - 33 - 4629/2.2=12, 4732/3.8=8...(5) Peak 4846 from aronoe.peaks (6.80, 6.88, 130.25 ppm; 3.35 A): 0 out of 2 assignments used, low quality = 0.29: HZ PHE 70 - QE PHE 34 OK 29 65 - 44 - 4856/2.2=20, 5173/4.4=7...(8) HE21 GLN 36 - QE PHE 34 lone 0 95 - 0 - Peak 4847 from aronoe.peaks (6.22, 6.88, 130.25 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 33 + QE PHE 34 OK 93 100 - 93 - 2.2/4815=34, 5151=27...(26) QD PHE 88 + QE PHE 34 OK 57 99 - 58 - 6701/4815=11, 4819/2.2=9...(22) Peak 4848 from aronoe.peaks (4.08, 6.98, 128.63 ppm; 4.19 A): 2 out of 8 assignments used, quality = 0.73: HB3 SER 29 + HZ PHE 88 OK 63 99 - 63 - 5018=30, 1.8/4849=23...(7) HA3 GLY 38 + HZ PHE 88 OK 28 100 - 28 - 5326=8, 3.0/5330=6...(7) HA3 GLY 22 - HZ PHE 88 lone 6 76 - 8 - 3.0/4865=2, 1.8/4850=2 HB2 SER 96 - HZ PHE 88 lone 5 76 - 6 - 6939/5.8=2, 6950/4853=2 HB THR 67 - HZ PHE 88 lone 4 90 - 5 - 2.1/6067=2 HA ILE 39 - HZ PHE 88 lone 4 100 - 4 - HA LYS 41 - HZ PHE 88 lone 3 68 - 5 - 5470/4850=1 HA GLU 23 - HZ PHE 88 lone 2 60 - 3 - Peak 4849 from aronoe.peaks (4.03, 6.98, 128.63 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.66: HB2 SER 29 + HZ PHE 88 OK 54 87 - 63 - 1.8/5018=26, 7070=18...(8) HB3 SER 89 + HZ PHE 88 OK 27 63 - 42 - ~6729=13, 7071/2.2=10...(6) HA SER 75 - HZ PHE 88 lone 6 99 - 6 - 5274/5307=1, 5288/5300=1 HA ARG 57 - HZ PHE 88 lone 2 100 - 2 - Peak 4850 from aronoe.peaks (3.75, 6.98, 128.63 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.66: HA VAL 30 + HZ PHE 88 OK 61 100 - 61 - 4743/2.2=20, 5059=11...(14) HA2 GLY 64 + HZ PHE 88 OK 14 100 - 14 - 4743/2.2=5, 5994/4853=3...(4) HA2 GLY 20 - HZ PHE 88 lone 7 97 - 7 - 4743/2.2=3, 4759/6804=2 HA2 GLY 22 - HZ PHE 88 lone 5 63 - 7 - 3.0/4865=2, 1.8/4848=2 HB THR 42 - HZ PHE 88 lone 3 90 - 4 - 4743/2.2=1 HA2 GLY 60 - HZ PHE 88 lone 2 85 - 2 - Peak 4852 from aronoe.peaks (0.84, 6.98, 128.63 ppm; 3.25 A): 5 out of 8 assignments used, quality = 0.93: QG2 VAL 30 + HZ PHE 88 OK 48 97 - 50 - 3.2/4850=13, 5064/2.2=7...(13) QG1 VAL 30 + HZ PHE 88 OK 47 100 - 48 - 3.2/4850=13, 5069=5...(11) QG2 ILE 37 + HZ PHE 88 OK 41 95 - 43 - 5300=7, 3.3/5307=4...(12) QG2 VAL 25 + HZ PHE 88 OK 36 87 - 42 - 2.1/4878=6, 4879=5...(16) QG2 ILE 16 + HZ PHE 88 OK 31 99 - 31 - 4624=5, 3.1/4633=3...(13) QG2 ILE 80 - HZ PHE 88 OK 20 99 - 21 - 3.0/4853=6, ~4752=3...(5) QG2 ILE 40 - HZ PHE 88 OK 17 83 - 21 - 3.3/5404=3, 3.2/5407=2...(7) QD2 LEU 62 - HZ PHE 88 lone 5 100 - 5 - Peak 4853 from aronoe.peaks (-0.19, 6.98, 128.63 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 21 + HZ PHE 88 OK 85 100 - 85 - 2.1/4854=24, 4778/3.8=23...(21) QD1 ILE 80 + HZ PHE 88 OK 52 97 - 53 - 4752/2.2=12, 4749/3.8=12...(14) Peak 4854 from aronoe.peaks (1.12, 6.98, 128.63 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.67: HG LEU 21 + HZ PHE 88 OK 57 83 - 69 - 2.1/4853=24, ~4752=15...(12) QG2 VAL 95 + HZ PHE 88 OK 24 73 - 33 - 6915/3.8=9, 6887/5.8=4...(12) QG2 THR 46 - HZ PHE 88 lone 2 99 - 2 - Peak 4855 from aronoe.peaks (0.78, 5.85, 132.41 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.89: QD1 ILE 93 + QD TYR 33 OK 72 94 - 76 - 6814=38, 5161/2.2=28...(12) QG1 VAL 25 + QD TYR 33 OK 34 89 - 38 - 5161/2.2=11, 4890/4814=5...(12) QD1 ILE 40 + QD TYR 33 OK 26 68 - 38 - 5193/4.6=14, 5402/4820=6...(7) QD1 LEU 53 + QD TYR 33 OK 19 99 - 19 - 5193/4.6=6, 4673/2.2=5...(5) Peak 4856 from aronoe.peaks (6.81, 7.43, 131.91 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.79: HZ PHE 70 + QD PHE 34 OK 76 98 - 78 - 4772=27, 4846/2.2=24...(14) H VAL 25 + QD PHE 34 OK 11 63 - 17 - 5175/2.4=4, 5173/2.4=4...(5) Peak 4858 from aronoe.peaks (2.79, 6.88, 130.25 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.83: HB3 PHE 34 + QE PHE 34 OK 83 83 - 100 - 4.4=100 Peak 4859 from aronoe.peaks (3.79, 7.05, 131.42 ppm; 4.81 A): 2 out of 7 assignments used, quality = 0.96: HA ILE 40 + QD PHE 70 OK 94 99 - 94 - 5383=37, 5410/3.7=31...(19) HA LYS 77 + QD PHE 70 OK 35 99 - 36 - 4.8/6393=24, 6253/4.4=3...(6) HA2 GLY 22 - QD PHE 70 OK 19 97 - 19 - 4842=6, 1.8/4844=4...(8) HD2 PRO 92 - QD PHE 70 lone 10 99 - 10 - 6253/4.4=4, 7142/3.7=2...(4) HA SER 89 - QD PHE 70 lone 9 92 - 10 - 4.7/4715=2, ~6729=1...(4) HA2 GLY 60 - QD PHE 70 lone 3 85 - 3 - HB3 SER 11 - QD PHE 70 lone 3 100 - 3 - Peak 4860 from aronoe.peaks (2.79, 6.22, 131.90 ppm; 4.53 A): 2 out of 6 assignments used, quality = 0.75: HB3 TYR 33 + QD PHE 88 OK 61 70 - 87 - 2.5/4814=36, 4745/2.2=23...(15) HB3 PHE 34 + QD PHE 88 OK 38 79 - 47 - 2.4/4819=13, 4.4/4847=10...(11) HB3 PHE 70 - QD PHE 88 lone 9 93 - 9 - 4.4/4629=3, 1.8/4740=2 HB3 ASP 84 - QD PHE 88 lone 4 89 - 4 - 6236/6915=2 HB2 ASP 72 - QD PHE 88 lone 2 62 - 3 - HB2 PHE 17 - QD PHE 88 lone 1 62 - 2 - Peak 4861 from aronoe.peaks (4.16, 6.95, 130.77 ppm; 5.03 A): 5 out of 16 assignments used, quality = 0.86: HA VAL 25 + QE PHE 88 OK 67 98 - 69 - 4876=14, ~4890=13...(15) HA VAL 25 + QE PHE 70 OK 26 65 - 40 - 4876=8, 3.0/4877=6...(11) HA3 GLY 90 + QE PHE 88 OK 18 100 - 18 - 6738/6.5=17 HA GLN 36 + QE PHE 88 OK 18 60 - 30 - 5.9/7170=5, 3.0/5258=5...(9) HA ALA 78 + QE PHE 88 OK 12 100 - 12 - 6452/7201=3, ~6432=3 HA GLN 36 - QE PHE 70 poor 8 34 - 24 - 2.9/5253=5, 3.0/5258=4...(8) HB THR 15 - QE PHE 70 poor 6 37 - 17 - ~4544=15 HA3 GLY 90 - QE PHE 70 lone 3 68 - 5 - ~4715=3 HA ALA 78 - QE PHE 70 lone 3 68 - 5 - HA3 GLY 47 - QE PHE 88 lone 3 83 - 4 - ~4741=2 HA3 GLY 60 - QE PHE 88 lone 3 83 - 3 - HA THR 99 - QE PHE 88 lone 2 85 - 2 - HB THR 15 - QE PHE 88 lone 2 65 - 3 - HA3 GLY 60 - QE PHE 70 lone 1 49 - 3 - HA3 GLY 47 - QE PHE 70 lone 1 49 - 2 - HA THR 99 - QE PHE 70 lone 1 51 - 2 - Peak 4862 from aronoe.peaks (5.76, 7.11, 131.48 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.96: HA THR 67 + QD PHE 17 OK 96 98 - 98 - 6062=47, 3.2/6066=46...(15) Peak 4863 from aronoe.peaks (1.17, 6.95, 129.71 ppm; 5.12 A): 4 out of 6 assignments used, quality = 0.93: HG13 ILE 37 + HZ PHE 83 OK 86 96 - 90 - 7200=26, 2.1/7201=25...(19) HB2 LEU 21 + HZ PHE 83 OK 26 97 - 27 - 2.9/4779=5, 3.1/4776=4...(9) HB3 LEU 21 + HZ PHE 83 OK 26 96 - 27 - 2.9/4779=5, 3.1/4776=4...(9) HG13 ILE 27 + HZ PHE 83 OK 11 99 - 11 - 2.8/4808=2, ~4834=1...(4) HB3 LYS 41 - HZ PHE 83 lone 3 60 - 5 - 6232/2.2=1 QG2 THR 15 - HZ PHE 83 lone 3 97 - 3 - Peak 4864 from aronoe.peaks (0.78, 7.56, 131.98 ppm; 4.68 A): 3 out of 4 assignments used, quality = 0.95: QD1 ILE 93 + QD PHE 83 OK 85 97 - 88 - 6838/2.4=35, 6807=26...(22) QG1 VAL 25 + QD PHE 83 OK 47 92 - 51 - 6614/2.4=10, 6616/2.4=8...(20) QD1 ILE 40 + QD PHE 83 OK 34 63 - 55 - 2.1/4735=11, ~5407=6...(20) QD1 LEU 53 - QD PHE 83 OK 30 99 - 30 - 6614/2.4=7, 5810/2.4=6...(8) Peak 4865 from aronoe.peaks (7.97, 6.98, 128.63 ppm; 5.38 A): 2 out of 7 assignments used, quality = 0.94: H VAL 30 + HZ PHE 88 OK 87 100 - 87 - 3.0/4850=30, 4.6/5018=22...(19) H PHE 34 + HZ PHE 88 OK 52 95 - 55 - 4.3/5145=9, 5171=7...(17) H GLY 22 - HZ PHE 88 OK 21 76 - 28 - 61/4853=5, 60/4854=5...(8) H ASP 81 - HZ PHE 88 OK 16 89 - 18 - 4.4/4852=3, 371/4853=3...(4) H ASP 84 - HZ PHE 88 OK 11 78 - 14 - 4.7/6589=2, 4327/4853=2...(4) H LYS 63 - HZ PHE 88 lone 7 76 - 10 - HE21 GLN 19 - HZ PHE 88 lone 3 73 - 4 - Peak 4866 from aronoe.peaks (1.57, 7.17, 132.12 ppm; 4.58 A): 3 out of 7 assignments used, quality = 0.95: HG3 LYS 77 + QD TYR 54 OK 64 100 - 64 - 5838/2.5=10, 2.9/4703=10...(19) HG2 LYS 77 + QD TYR 54 OK 64 100 - 64 - 5838/2.5=10, 2.9/4703=10...(19) HD2 LYS 63 + QD TYR 54 OK 62 78 - 80 - 7210/2.5=25, 7209/2.5=15...(19) HB3 PRO 49 - QD TYR 54 OK 36 98 - 37 - 5630=15, 3.8/4695=9...(10) HG3 LYS 44 - QD TYR 54 OK 13 87 - 14 - 5838/2.5=2, 5843/2.5=2...(5) HB3 GLU 87 - QD TYR 54 lone 7 94 - 7 - 3.0/4697=2 QB ALA 76 - QD TYR 54 lone 5 62 - 8 - 4.8/7211=3 Peak 4867 from aronoe.peaks (1.69, 7.17, 132.12 ppm; 4.65 A): 4 out of 18 assignments used, quality = 0.96: HD3 LYS 63 + QD TYR 54 OK 81 100 - 82 - ~7210=25, 1.8/7216=16...(19) HD2 LYS 77 + QD TYR 54 OK 47 90 - 53 - 1.8/6409=9, 3.7/4703=9...(13) HD2 LYS 61 + QD TYR 54 OK 38 100 - 38 - 3.9/4704=5, 7215/2.5=5...(16) HD3 LYS 61 + QD TYR 54 OK 38 100 - 38 - 3.9/4704=5, 7215/2.5=5...(16) HD2 LYS 94 - QD TYR 54 OK 30 98 - 30 - 3.4/4704=5, 7215/2.5=4...(15) HD3 LYS 94 - QD TYR 54 OK 30 98 - 30 - 3.4/4704=5, 7215/2.5=4...(15) HB3 LYS 61 - QD TYR 54 OK 22 62 - 36 - 1.8/4704=8, ~5836=5...(14) QB ALA 79 - QD TYR 54 OK 18 87 - 20 - 6465/2.2=8, 4.7/6431=3...(6) HD3 LYS 44 - QD TYR 54 OK 15 100 - 15 - 3.0/4866=2, 7215/2.5=2...(8) HD2 LYS 44 - QD TYR 54 OK 15 100 - 15 - 3.0/4866=2, 7215/2.5=2...(8) HG12 ILE 27 - QD TYR 54 poor 9 62 - 15 - 2.1/4706=4, ~4708=3, ~5831=3 HD3 LYS 45 - QD TYR 54 lone 7 92 - 8 - HD2 LYS 45 - QD TYR 54 lone 7 88 - 7 - HB ILE 40 - QD TYR 54 lone 4 100 - 4 - ~5405=2 HG12 ILE 39 - QD TYR 54 lone 4 99 - 4 - 2.9/4704=1 HG2 ARG 57 - QD TYR 54 lone 3 100 - 3 - HG3 ARG 57 - QD TYR 54 lone 3 99 - 3 - HD3 LYS 35 - QD TYR 54 lone 3 100 - 3 - Average quality of peak assignments : 0.911 Average number of used assignments : 2.157 Average rank of reference assignment: 1.073 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 6643 in nnoeabs.peaks : 1501 in cnoeabs.peaks : 4839 in aronoe.peaks : 303 assigned : 6577 unassigned : 66 without assignment possibility : 13 with violation below 0.5 A : 53 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 15 in cnoeabs.peaks : 45 in aronoe.peaks : 6 with diagonal assignment : 609 Cross peaks: with off-diagonal assignment : 5968 with unique assignment : 2568 with short-range assignment |i-j|<=1: 3889 with medium-range assignment 1<|i-j|<5 : 803 with long-range assignment |i-j|>=5: 1276 Comparison with reference assignment: Cross peaks with reference assignment : 3519 with identical reference assignment : 2099 with compatible reference assignment : 3391 with incompatible reference assignment : 48 with additional reference assignment : 4 with additional assignment : 2529