Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
28765 | 9pcy RC | cing | 1-original | 3 | MR format | distance | NOE | simple |
REMARK 3 1 LEU HA 1 LEU HB 3.5 3.84 1.70 REMARK 3 1 LEU HA 1 LEU MD 4.0 3.84 0.75 REMARK 3 1 LEU HA 1 LEU MD 5.0 3.84 0.28 REMARK 3 2 GLU HA 3 VAL MG2 5.0 5.04 -0.13 REMARK 3 2 GLU HA 28 VAL HB 3.0 5.04 1.95 REMARK 3 2 GLU H 1 LEU HA 3.0 8.58 3.84 REMARK 3 2 GLU H 1 LEU HB 4.0 8.58 1.70 REMARK 3 2 GLU H 1 LEU HB 4.0 8.58 1.31 REMARK 3 2 GLU H 1 LEU MD 4.0 8.58 0.75 REMARK 3 2 GLU H 1 LEU MD 5.0 8.58 0.28 REMARK 3 2 GLU H 2 GLU QHB 3.5 8.58 1.85 REMARK 3 3 VAL HA 1 LEU MD 5.0 4.29 0.28 REMARK 3 3 VAL HA 3 VAL MG1 3.5 4.29 1.11 REMARK 3 3 VAL HA 3 VAL MG2 3.5 4.29 -0.13 REMARK 3 3 VAL H 2 GLU HA 2.7 9.08 5.04 REMARK 3 3 VAL H 2 GLU QHB 4.0 9.08 1.85 REMARK 3 3 VAL H 2 GLU QHG 4.0 9.08 2.08 REMARK 3 3 VAL H 3 VAL HB 3.5 9.08 1.39 REMARK 3 3 VAL H 3 VAL MG1 4.0 9.08 1.11 REMARK 3 3 VAL H 3 VAL MG2 4.0 9.08 -0.13 REMARK 3 3 VAL H 28 VAL HB 4.0 9.08 1.95 REMARK 3 3 VAL H 28 VAL H 3.5 9.08 8.38 REMARK 3 3 VAL H 29 PHE HA 4.3 9.08 5.17 REMARK 3 4 LEU HA 4 LEU MD 3.0 4.89 0.79 REMARK 3 4 LEU HA 30 LYS HB 5.0 4.89 1.73 REMARK 3 4 LEU H 3 VAL HA 2.4 8.99 4.29 REMARK 3 4 LEU H 3 VAL MG1 4.0 8.99 1.11 REMARK 3 4 LEU H 3 VAL MG2 5.0 8.99 -0.13 REMARK 3 4 LEU H 4 LEU 1HB 4.0 8.99 1.94 REMARK 3 4 LEU H 4 LEU HG 3.5 8.99 1.94 REMARK 3 4 LEU H 4 LEU MD 5.0 8.99 0.90 REMARK 3 4 LEU H 4 LEU MD 5.0 8.99 0.79 REMARK 3 4 LEU H 15 VAL HB 4.0 8.99 2.24 REMARK 3 5 LEU HA 5 LEU MD 4.0 4.04 0.75 REMARK 3 5 LEU HA 92 MET ME 4.0 4.04 0.54 REMARK 3 5 LEU H 4 LEU HA 3.0 8.62 4.89 REMARK 3 5 LEU H 4 LEU 2HB 5.0 8.62 1.39 REMARK 3 5 LEU H 5 LEU HG 4.0 8.62 1.50 REMARK 3 5 LEU H 5 LEU MD 5.0 8.62 0.87 REMARK 3 5 LEU H 5 LEU MD 5.0 8.62 0.75 REMARK 3 6 GLY HA 33 ALA MB 4.0 5.26 1.30 REMARK 3 6 GLY H 5 LEU HA 2.4 8.10 4.04 REMARK 3 6 GLY H 13 VAL H 4.3 8.10 7.06 REMARK 3 6 GLY H 92 MET ME 4.0 8.10 0.54 REMARK 3 7 SER HA 7 SER 1HB 3.0 4.57 3.97 REMARK 3 7 SER HA 7 SER 2HB 3.0 4.57 3.70 REMARK 3 7 SER HA 13 VAL MG 5.0 4.57 0.58 REMARK 3 7 SER 1HB 13 VAL MG 4.0 3.97 0.58 REMARK 3 7 SER 2HB 13 VAL MG 4.0 3.70 0.58 REMARK 3 7 SER 2HB 15 VAL MG2 4.0 3.70 0.78 REMARK 3 7 SER H 6 GLY HA 3.5 8.18 5.26 REMARK 3 7 SER H 6 GLY HA 2.7 8.18 3.99 REMARK 3 7 SER H 7 SER 2HB 4.0 8.18 3.70 REMARK 3 7 SER H 13 VAL H 4.3 8.18 7.06 REMARK 3 7 SER H 33 ALA MB 5.0 8.18 1.30 REMARK 3 8 GLY HA 33 ALA MB 5.0 3.98 1.30 REMARK 3 8 GLY HA 33 ALA MB 5.0 3.79 1.30 REMARK 3 8 GLY H 4 LEU MD 5.0 8.94 0.79 REMARK 3 8 GLY H 7 SER HA 3.5 8.94 4.57 REMARK 3 8 GLY H 7 SER 2HB 4.3 8.94 3.70 REMARK 3 8 GLY H 7 SER H 4.3 8.94 8.18 REMARK 3 8 GLY H 9 ASP H 3.5 8.94 7.88 REMARK 3 9 ASP HA 9 ASP HB 3.5 4.61 2.96 REMARK 3 9 ASP HA 9 ASP HB 4.0 4.61 2.57 REMARK 3 9 ASP H 8 GLY HA 3.5 7.88 3.98 REMARK 3 9 ASP H 8 GLY HA 4.3 7.88 3.79 REMARK 3 9 ASP H 9 ASP HB 4.0 7.88 2.96 REMARK 3 9 ASP H 9 ASP HB 4.0 7.88 2.57 REMARK 3 10 GLY HA 33 ALA MB 4.0 3.34 1.30 REMARK 3 10 GLY H 8 GLY HA 4.3 8.14 3.98 REMARK 3 10 GLY H 8 GLY HA 4.3 8.14 3.79 REMARK 3 10 GLY H 9 ASP H 3.5 8.14 7.88 REMARK 3 10 GLY H 11 SER H 3.0 8.14 7.92 REMARK 3 10 GLY H 33 ALA MB 4.0 8.14 1.30 REMARK 3 11 SER 1HB 13 VAL MG 4.0 3.74 0.58 REMARK 3 11 SER H 10 GLY HA 5.0 7.92 4.22 REMARK 3 11 SER H 10 GLY HA 3.5 7.92 3.34 REMARK 3 11 SER H 11 SER 1HB 4.0 7.92 3.74 REMARK 3 11 SER H 11 SER 2HB 4.0 7.92 3.96 REMARK 3 12 LEU HA 12 LEU 2HB 3.5 4.18 1.00 REMARK 3 12 LEU HA 12 LEU MD 3.0 4.18 0.35 REMARK 3 12 LEU HA 92 MET ME 4.0 4.18 0.54 REMARK 3 12 LEU H 11 SER HA 2.4 8.64 4.29 REMARK 3 12 LEU H 11 SER 1HB 4.0 8.64 3.74 REMARK 3 12 LEU H 12 LEU 1HB 3.5 8.64 1.75 REMARK 3 12 LEU H 12 LEU 2HB 3.5 8.64 1.00 REMARK 3 12 LEU H 12 LEU HG 3.5 8.64 1.60 REMARK 3 12 LEU H 12 LEU MD 5.0 8.64 0.56 REMARK 3 12 LEU H 12 LEU MD 5.0 8.64 0.35 REMARK 3 13 VAL HA 12 LEU 1HB 5.0 4.87 1.75 REMARK 3 13 VAL HA 13 VAL MG 3.0 4.87 0.90 REMARK 3 13 VAL HA 13 VAL MG 4.0 4.87 0.58 REMARK 3 13 VAL H 12 LEU HA 2.4 7.06 4.18 REMARK 3 13 VAL H 12 LEU MD 5.0 7.06 0.35 REMARK 3 13 VAL H 13 VAL MG 4.0 7.06 0.90 REMARK 3 13 VAL H 13 VAL MG 3.0 7.06 0.58 REMARK 3 14 PHE HA 3 VAL MG1 4.0 4.98 1.11 REMARK 3 14 PHE HA 5 LEU HA 3.5 4.98 4.04 REMARK 3 14 PHE HA 14 PHE 2HB 3.5 4.98 3.20 REMARK 3 14 PHE HA 15 VAL MG2 5.0 4.98 0.78 REMARK 3 14 PHE HA 92 MET ME 5.0 4.98 0.54 REMARK 3 14 PHE 2HB 3 VAL MG1 4.0 3.20 1.11 REMARK 3 14 PHE HD 3 VAL MG1 3.5 7.16 1.11 REMARK 3 14 PHE HD 3 VAL MG2 5.0 7.16 -0.13 REMARK 3 14 PHE HD 5 LEU HG 5.0 7.16 1.50 REMARK 3 14 PHE HD 5 LEU MD 3.5 7.16 0.75 REMARK 3 14 PHE HD 13 VAL HA 5.0 7.16 4.87 REMARK 3 14 PHE HD 14 PHE HA 4.0 7.16 4.98 REMARK 3 14 PHE HD 29 PHE HE 4.0 7.16 6.73 REMARK 3 14 PHE HD 39 VAL MG1 5.0 7.16 -0.32 REMARK 3 14 PHE HD 39 VAL MG2 4.0 7.16 0.17 REMARK 3 14 PHE HD 82 PHE HE 4.0 7.16 5.77 REMARK 3 14 PHE HD 83 TYR HA 5.0 7.16 5.30 REMARK 3 14 PHE HD 92 MET HG 4.0 7.16 2.23 REMARK 3 14 PHE HD 93 VAL HA 5.0 7.16 5.18 REMARK 3 14 PHE HD 94 GLY HA 5.0 7.16 2.99 REMARK 3 14 PHE HE 3 VAL MG1 5.0 7.06 1.11 REMARK 3 14 PHE HE 5 LEU HG 5.0 7.06 1.50 REMARK 3 14 PHE HE 5 LEU MD 3.5 7.06 0.75 REMARK 3 14 PHE HE 39 VAL MG1 5.0 7.06 -0.32 REMARK 3 14 PHE HE 39 VAL MG2 3.5 7.06 0.17 REMARK 3 14 PHE HE 83 TYR HA 4.0 7.06 5.30 REMARK 3 14 PHE HE 92 MET HG 4.0 7.06 2.23 REMARK 3 14 PHE HE 92 MET ME 4.0 7.06 0.54 REMARK 3 14 PHE HE 93 VAL HA 4.0 7.06 5.18 REMARK 3 14 PHE H 13 VAL HA 3.5 8.92 4.87 REMARK 3 14 PHE H 13 VAL HB 3.5 8.92 2.27 REMARK 3 14 PHE H 13 VAL MG 5.0 8.92 0.90 REMARK 3 14 PHE H 13 VAL MG 5.0 8.92 0.58 REMARK 3 14 PHE H 14 PHE 1HB 4.0 8.92 2.67 REMARK 3 14 PHE H 14 PHE 2HB 5.0 8.92 3.20 REMARK 3 14 PHE H 14 PHE HD 3.5 8.92 7.16 REMARK 3 14 PHE HZ 39 VAL HA 5.0 7.17 4.11 REMARK 3 14 PHE HZ 39 VAL MG1 5.0 7.17 -0.32 REMARK 3 14 PHE HZ 82 PHE HD 4.0 7.17 6.28 REMARK 3 15 VAL HA 15 VAL MG1 3.0 4.54 0.95 REMARK 3 15 VAL HA 15 VAL MG2 3.5 4.54 0.78 REMARK 3 15 VAL HA 16 PRO 1HB 5.0 4.54 2.32 REMARK 3 15 VAL HA 16 PRO 2HB 5.0 4.54 2.63 REMARK 3 15 VAL H 14 PHE HA 3.0 9.08 4.98 REMARK 3 15 VAL H 14 PHE 2HB 5.0 9.08 3.20 REMARK 3 15 VAL H 14 PHE HD 5.0 9.08 7.16 REMARK 3 15 VAL H 15 VAL MG2 4.0 9.08 0.78 REMARK 3 16 PRO HA 15 VAL HA 2.4 5.08 4.54 REMARK 3 16 PRO HA 15 VAL MG1 3.5 5.08 0.95 REMARK 3 16 PRO 2HB 16 PRO HG 4.0 2.63 1.91 REMARK 3 16 PRO HD 1 LEU MD 5.0 3.62 0.28 REMARK 3 16 PRO HD 3 VAL MG1 4.0 3.62 1.11 REMARK 3 16 PRO HD 3 VAL MG2 4.0 3.62 -0.13 REMARK 3 16 PRO HD 1 LEU MD 5.0 3.54 0.28 REMARK 3 16 PRO HD 3 VAL MG1 5.0 3.54 1.11 REMARK 3 16 PRO HD 3 VAL MG2 5.0 3.54 -0.13 REMARK 3 16 PRO HD 15 VAL MG1 5.0 3.54 0.95 REMARK 3 17 SER HB 14 PHE 1HB 5.0 4.43 2.67 REMARK 3 17 SER H 16 PRO HA 3.0 8.19 5.08 REMARK 3 17 SER H 16 PRO 1HB 4.0 8.19 2.32 REMARK 3 17 SER H 16 PRO 2HB 4.0 8.19 2.63 REMARK 3 17 SER H 18 GLU H 2.7 8.19 7.58 REMARK 3 17 SER H 19 PHE HD 5.0 8.19 6.73 REMARK 3 18 GLU HA 18 GLU HB 3.5 5.63 1.97 REMARK 3 18 GLU HA 18 GLU HG 4.0 5.63 2.27 REMARK 3 18 GLU HA 18 GLU HG 4.0 5.63 2.19 REMARK 3 18 GLU HA 95 LYS QHB 4.0 5.63 1.57 REMARK 3 18 GLU HA 95 LYS QHG 5.0 5.63 1.32 REMARK 3 18 GLU HA 96 VAL HA 4.3 5.63 4.91 REMARK 3 18 GLU H 16 PRO 1HB 4.0 7.58 2.32 REMARK 3 18 GLU H 16 PRO 2HB 5.0 7.58 2.63 REMARK 3 18 GLU H 18 GLU HB 5.0 7.58 2.02 REMARK 3 18 GLU H 18 GLU HB 3.5 7.58 1.97 REMARK 3 19 PHE HA 19 PHE 1HB 3.0 5.08 3.11 REMARK 3 19 PHE HA 19 PHE 2HB 3.0 5.08 3.26 REMARK 3 19 PHE 1HB 1 LEU MD 5.0 3.11 0.28 REMARK 3 19 PHE 2HB 1 LEU MD 5.0 3.26 0.28 REMARK 3 19 PHE HD 1 LEU MD 3.5 6.73 0.75 REMARK 3 19 PHE HD 1 LEU MD 3.5 6.73 0.28 REMARK 3 19 PHE HD 16 PRO 1HB 5.0 6.73 2.32 REMARK 3 19 PHE HD 16 PRO 2HB 5.0 6.73 2.63 REMARK 3 19 PHE HD 16 PRO HD 5.0 6.73 3.62 REMARK 3 19 PHE HD 16 PRO HG 5.0 6.73 1.91 REMARK 3 19 PHE HD 16 PRO HG 3.5 6.73 1.62 REMARK 3 19 PHE HD 18 GLU HA 5.0 6.73 5.63 REMARK 3 19 PHE HD 96 VAL HA 5.0 6.73 4.91 REMARK 3 19 PHE HD 96 VAL HB 4.0 6.73 1.31 REMARK 3 19 PHE HD 96 VAL MG2 3.5 6.73 0.60 REMARK 3 19 PHE HE 1 LEU MD 4.0 7.03 0.28 REMARK 3 19 PHE HE 3 VAL MG1 4.0 7.03 1.11 REMARK 3 19 PHE HE 3 VAL MG2 4.0 7.03 -0.13 REMARK 3 19 PHE HE 27 ILE HG 5.0 7.03 1.80 REMARK 3 19 PHE HE 27 ILE MD 3.5 7.03 0.81 REMARK 3 19 PHE HE 27 ILE MG 3.5 7.03 -0.07 REMARK 3 19 PHE HE 82 PHE HZ 4.0 7.03 6.93 REMARK 3 19 PHE HE 96 VAL HA 5.0 7.03 4.91 REMARK 3 19 PHE HE 96 VAL HB 3.5 7.03 1.31 REMARK 3 19 PHE HE 96 VAL MG2 3.5 7.03 0.60 REMARK 3 19 PHE H 18 GLU HA 2.4 7.81 5.63 REMARK 3 19 PHE H 18 GLU HB 4.0 7.81 1.97 REMARK 3 19 PHE H 18 GLU HG 4.0 7.81 2.19 REMARK 3 19 PHE H 19 PHE HD 4.0 7.81 6.73 REMARK 3 19 PHE H 96 VAL HA 3.5 7.81 4.91 REMARK 3 20 SER HA 20 SER HB 3.0 5.94 3.75 REMARK 3 20 SER HA 96 VAL HA 4.3 5.94 4.91 REMARK 3 20 SER HA 96 VAL MG2 3.5 5.94 0.60 REMARK 3 20 SER HA 97 THR HB 4.0 5.94 3.93 REMARK 3 20 SER HA 97 THR MG 5.0 5.94 1.08 REMARK 3 20 SER H 19 PHE HA 2.7 8.62 5.08 REMARK 3 20 SER H 19 PHE 1HB 3.5 8.62 3.11 REMARK 3 20 SER H 19 PHE 2HB 4.0 8.62 3.26 REMARK 3 20 SER H 19 PHE HD 4.0 8.62 6.73 REMARK 3 20 SER H 20 SER HB 4.0 8.62 3.75 REMARK 3 21 VAL HA 21 VAL MG 3.0 4.90 0.98 REMARK 3 21 VAL HA 22 PRO QHD 2.4 4.90 3.73 REMARK 3 21 VAL H 20 SER HA 2.4 8.86 5.94 REMARK 3 21 VAL H 20 SER HB 3.5 8.86 3.75 REMARK 3 21 VAL H 21 VAL MG 4.0 8.86 0.98 REMARK 3 21 VAL H 21 VAL MG 4.0 8.86 0.83 REMARK 3 21 VAL H 96 VAL MG2 5.0 8.86 0.60 REMARK 3 21 VAL H 98 VAL HA 3.5 8.86 5.04 REMARK 3 21 VAL H 98 VAL QMG 5.0 8.86 0.73|0.74 REMARK 3 22 PRO HA 22 PRO HG 4.0 4.87 1.99 REMARK 3 22 PRO HA 99 ASN HB 5.0 4.87 2.71 REMARK 3 22 PRO QHD 21 VAL MG 4.0 3.73 0.98 REMARK 3 23 SER H 22 PRO HA 3.5 8.56 4.87 REMARK 3 23 SER H 22 PRO 1HB 4.0 8.56 1.89 REMARK 3 23 SER H 22 PRO 2HB 5.0 8.56 2.30 REMARK 3 23 SER H 23 SER HB 5.0 8.56 3.79 REMARK 3 23 SER H 23 SER HB 5.0 8.56 3.72 REMARK 3 23 SER H 98 VAL QMG 4.0 8.56 0.73|0.74 REMARK 3 24 GLY HA 73 THR MG 3.5 3.39 0.84 REMARK 3 24 GLY H 23 SER HA 2.4 8.76 3.95 REMARK 3 24 GLY H 23 SER HB 4.3 8.76 3.79 REMARK 3 24 GLY H 23 SER HB 4.3 8.76 3.72 REMARK 3 24 GLY H 25 GLU H 3.5 8.76 7.84 REMARK 3 25 GLU HA 25 GLU HG 4.0 4.26 2.25 REMARK 3 25 GLU H 21 VAL MG 5.0 7.84 0.83 REMARK 3 25 GLU H 23 SER HA 4.3 7.84 3.95 REMARK 3 25 GLU H 23 SER HB 5.0 7.84 3.72 REMARK 3 25 GLU H 25 GLU HB 3.0 7.84 2.14 REMARK 3 25 GLU H 25 GLU HB 3.5 7.84 1.88 REMARK 3 26 LYS HA 26 LYS HB 3.5 4.25 1.56 REMARK 3 26 LYS HA 26 LYS HB 3.5 4.25 1.39 REMARK 3 26 LYS HA 26 LYS HG 4.0 4.25 1.26 REMARK 3 26 LYS HA 26 LYS HG 4.0 4.25 1.17 REMARK 3 26 LYS H 25 GLU HA 2.7 8.19 4.26 REMARK 3 26 LYS H 25 GLU HB 5.0 8.19 1.88 REMARK 3 26 LYS H 26 LYS HB 3.5 8.19 1.56 REMARK 3 26 LYS H 26 LYS HB 3.5 8.19 1.39 REMARK 3 26 LYS H 26 LYS HG 5.0 8.19 1.26 REMARK 3 26 LYS H 26 LYS HG 5.0 8.19 1.17 REMARK 3 27 ILE HA 3 VAL MG2 5.0 4.19 -0.13 REMARK 3 27 ILE HA 27 ILE HB 3.5 4.19 1.68 REMARK 3 27 ILE HA 27 ILE HG 4.0 4.19 1.80 REMARK 3 27 ILE HA 27 ILE HG 4.0 4.19 0.62 REMARK 3 27 ILE HA 27 ILE MG 3.0 4.19 -0.07 REMARK 3 27 ILE H 26 LYS HA 2.4 9.08 4.25 REMARK 3 27 ILE H 27 ILE HB 3.5 9.08 1.68 REMARK 3 27 ILE H 27 ILE HG 4.0 9.08 1.80 REMARK 3 27 ILE H 27 ILE MG 5.0 9.08 -0.07 REMARK 3 27 ILE H 72 VAL H 4.3 9.08 8.75 REMARK 3 27 ILE H 73 THR HA 4.3 9.08 4.45 REMARK 3 28 VAL HA 28 VAL QMG 3.5 4.17 0.79|0.81 REMARK 3 28 VAL HA 71 VAL MG1 4.0 4.17 0.73 REMARK 3 28 VAL HA 71 VAL MG2 4.0 4.17 0.89 REMARK 3 28 VAL H 2 GLU HA 3.5 8.38 5.04 REMARK 3 28 VAL H 27 ILE HA 2.4 8.38 4.19 REMARK 3 28 VAL H 27 ILE HB 4.0 8.38 1.68 REMARK 3 28 VAL H 27 ILE MG 4.0 8.38 -0.07 REMARK 3 28 VAL H 28 VAL HB 4.0 8.38 1.95 REMARK 3 28 VAL H 28 VAL MG2 4.0 8.38 0.79 REMARK 3 29 PHE HA 3 VAL HB 4.0 5.17 1.39 REMARK 3 29 PHE HA 3 VAL MG1 5.0 5.17 1.11 REMARK 3 29 PHE HA 3 VAL MG2 5.0 5.17 -0.13 REMARK 3 29 PHE HA 5 LEU MD 5.0 5.17 0.75 REMARK 3 29 PHE HA 27 ILE MG 5.0 5.17 -0.07 REMARK 3 29 PHE HA 29 PHE HB 4.0 5.17 3.50 REMARK 3 29 PHE HA 29 PHE HB 3.5 5.17 2.81 REMARK 3 29 PHE HB 39 VAL MG2 4.0 3.50 0.17 REMARK 3 29 PHE HB 70 TYR 2HB 4.0 3.50 2.63 REMARK 3 29 PHE HB 39 VAL MG2 5.0 2.81 0.17 REMARK 3 29 PHE HD 3 VAL HB 4.0 7.22 1.39 REMARK 3 29 PHE HD 3 VAL MG1 3.5 7.22 1.11 REMARK 3 29 PHE HD 3 VAL MG2 5.0 7.22 -0.13 REMARK 3 29 PHE HD 5 LEU HG 5.0 7.22 1.50 REMARK 3 29 PHE HD 5 LEU MD 4.0 7.22 0.87 REMARK 3 29 PHE HD 5 LEU MD 3.5 7.22 0.75 REMARK 3 29 PHE HD 27 ILE HB 5.0 7.22 1.68 REMARK 3 29 PHE HD 29 PHE HA 4.0 7.22 5.17 REMARK 3 29 PHE HD 39 VAL MG1 5.0 7.22 -0.32 REMARK 3 29 PHE HD 39 VAL MG2 4.0 7.22 0.17 REMARK 3 29 PHE HD 70 TYR 1HB 5.0 7.22 3.40 REMARK 3 29 PHE HD 70 TYR 2HB 5.0 7.22 2.63 REMARK 3 29 PHE HD 70 TYR HD 4.0 7.22 7.01 REMARK 3 29 PHE HD 70 TYR HE 5.0 7.22 6.66 REMARK 3 29 PHE HD 71 VAL HA 5.0 7.22 5.10 REMARK 3 29 PHE HD 72 VAL MG1 4.0 7.22 0.98 REMARK 3 29 PHE HE 3 VAL HB 5.0 6.73 1.39 REMARK 3 29 PHE HE 3 VAL MG1 3.5 6.73 1.11 REMARK 3 29 PHE HE 3 VAL MG2 3.5 6.73 -0.13 REMARK 3 29 PHE HE 27 ILE HB 4.0 6.73 1.68 REMARK 3 29 PHE HE 27 ILE MD 4.0 6.73 0.81 REMARK 3 29 PHE HE 27 ILE MG 3.5 6.73 -0.07 REMARK 3 29 PHE HE 39 VAL MG1 4.0 6.73 -0.32 REMARK 3 29 PHE HE 39 VAL MG2 5.0 6.73 0.17 REMARK 3 29 PHE HE 72 VAL MG1 5.0 6.73 0.98 REMARK 3 29 PHE HE 74 LEU MD 5.0 6.73 -0.22 REMARK 3 29 PHE HE 82 PHE HD 5.0 6.73 6.28 REMARK 3 29 PHE HE 82 PHE HE 4.0 6.73 5.77 REMARK 3 29 PHE H 28 VAL HA 2.4 9.30 4.17 REMARK 3 29 PHE H 28 VAL MG1 4.0 9.30 0.81 REMARK 3 29 PHE H 29 PHE HB 3.5 9.30 3.50 REMARK 3 29 PHE H 29 PHE HB 4.0 9.30 2.81 REMARK 3 29 PHE H 29 PHE HD 3.5 9.30 7.22 REMARK 3 29 PHE H 70 TYR H 4.3 9.30 9.04 REMARK 3 29 PHE H 71 VAL HA 4.3 9.30 5.10 REMARK 3 29 PHE H 71 VAL MG1 5.0 9.30 0.73 REMARK 3 29 PHE H 71 VAL MG2 5.0 9.30 0.89 REMARK 3 29 PHE HZ 3 VAL MG2 5.0 5.90 -0.13 REMARK 3 29 PHE HZ 27 ILE MG 4.0 5.90 -0.07 REMARK 3 29 PHE HZ 39 VAL MG1 5.0 5.90 -0.32 REMARK 3 29 PHE HZ 72 VAL MG1 4.0 5.90 0.98 REMARK 3 30 LYS HA 28 VAL MG1 5.0 4.78 0.81 REMARK 3 30 LYS HA 30 LYS HB 3.5 4.78 1.31 REMARK 3 30 LYS HA 30 LYS QHG 3.5 4.78 1.11 REMARK 3 30 LYS HA 69 THR MG 3.0 4.78 1.07 REMARK 3 30 LYS H 3 VAL H 4.3 9.29 9.08 REMARK 3 30 LYS H 29 PHE HA 2.4 9.29 5.17 REMARK 3 30 LYS H 30 LYS HB 4.0 9.29 1.73 REMARK 3 30 LYS H 30 LYS HB 5.0 9.29 1.31 REMARK 3 30 LYS H 30 LYS QHG 5.0 9.29 1.11 REMARK 3 31 ASN HA 5 LEU HA 5.0 5.02 4.04 REMARK 3 31 ASN HA 5 LEU 2HB 3.0 5.02 0.87 REMARK 3 31 ASN HA 5 LEU HG 5.0 5.02 1.50 REMARK 3 31 ASN H 30 LYS QHG 4.0 9.08 1.11 REMARK 3 31 ASN H 31 ASN HB 3.5 9.08 2.85 REMARK 3 31 ASN H 31 ASN HB 4.0 9.08 2.71 REMARK 3 31 ASN H 63 LEU MD 5.0 9.08 0.68 REMARK 3 31 ASN H 68 GLU H 4.3 9.08 7.30 REMARK 3 31 ASN H 69 THR HA 4.3 9.08 5.88 REMARK 3 31 ASN 1HD2 31 ASN HB 4.0 5.10 2.85 REMARK 3 31 ASN 1HD2 31 ASN HB 4.0 5.10 2.71 REMARK 3 32 ASN HA 4 LEU MD 5.0 5.24 0.90 REMARK 3 32 ASN HA 4 LEU MD 5.0 5.24 0.79 REMARK 3 32 ASN HA 32 ASN 2HB 3.5 5.24 3.49 REMARK 3 32 ASN HA 32 ASN 1HB 3.5 5.24 2.40 REMARK 3 32 ASN 2HB 4 LEU 2HB 4.0 3.49 1.39 REMARK 3 32 ASN 1HB 4 LEU 2HB 4.0 2.40 1.39 REMARK 3 32 ASN 1HB 4 LEU MD 4.0 2.40 0.79 REMARK 3 32 ASN H 5 LEU 1HB 4.0 8.98 2.14 REMARK 3 32 ASN H 5 LEU H 4.3 8.98 8.62 REMARK 3 32 ASN H 31 ASN HA 2.7 8.98 5.02 REMARK 3 32 ASN 1HD2 32 ASN 1HB 5.0 7.16 2.40 REMARK 3 32 ASN 2HD2 4 LEU MD 5.0 7.88 0.79 REMARK 3 32 ASN 2HD2 7 SER HA 5.0 7.88 4.57 REMARK 3 32 ASN 2HD2 33 ALA MB 5.0 7.88 1.30 REMARK 3 33 ALA H 32 ASN HA 3.5 8.98 5.24 REMARK 3 33 ALA H 32 ASN 2HB 2.7 8.98 3.49 REMARK 3 33 ALA H 32 ASN 1HB 3.5 8.98 2.40 REMARK 3 33 ALA H 33 ALA MB 4.0 8.98 1.30 REMARK 3 33 ALA H 35 PHE HD 5.0 8.98 6.77 REMARK 3 33 ALA H 37 HIS HD2 5.0 8.98 7.57 REMARK 3 34 GLY HA 12 LEU MD 5.0 3.60 0.35 REMARK 3 34 GLY HA 12 LEU MD 4.0 3.46 0.35 REMARK 3 34 GLY H 33 ALA HA 3.5 8.89 4.55 REMARK 3 34 GLY H 33 ALA MB 5.0 8.89 1.30 REMARK 3 34 GLY H 35 PHE H 3.5 8.89 5.72 REMARK 3 35 PHE HD 31 ASN HA 5.0 6.77 5.02 REMARK 3 35 PHE HD 31 ASN HB 5.0 6.77 2.85 REMARK 3 35 PHE HD 31 ASN HB 5.0 6.77 2.71 REMARK 3 35 PHE HD 33 ALA HA 4.0 6.77 4.55 REMARK 3 35 PHE HD 35 PHE H 4.0 6.77 5.72 REMARK 3 35 PHE HD 36 PRO HA 4.0 6.77 5.12 REMARK 3 35 PHE HD 36 PRO 1HB 5.0 6.77 1.91 REMARK 3 35 PHE HD 36 PRO HD 5.0 6.77 3.81 REMARK 3 35 PHE HD 36 PRO HD 5.0 6.77 3.52 REMARK 3 35 PHE HD 64 ASN HA 5.0 6.77 4.66 REMARK 3 35 PHE HE 33 ALA HA 4.0 7.28 4.55 REMARK 3 35 PHE HE 66 PRO 2HB 5.0 7.28 2.38 REMARK 3 35 PHE H 33 ALA HA 5.0 5.72 4.55 REMARK 3 35 PHE H 35 PHE HB 4.0 5.72 3.26 REMARK 3 35 PHE HZ 33 ALA HA 5.0 7.41 4.55 REMARK 3 35 PHE HZ 66 PRO HA 5.0 7.41 3.63 REMARK 3 35 PHE HZ 66 PRO 2HB 5.0 7.41 2.38 REMARK 3 35 PHE HZ 66 PRO HG 4.0 7.41 2.12 REMARK 3 36 PRO HA 35 PHE HA 2.7 5.12 3.18 REMARK 3 36 PRO HA 62 LEU MD 5.0 5.12 0.59 REMARK 3 36 PRO HA 64 ASN HA 4.3 5.12 4.66 REMARK 3 37 HIS HA 37 HIS 1HB 4.0 5.93 2.72 REMARK 3 37 HIS HA 37 HIS 2HB 3.5 5.93 3.48 REMARK 3 37 HIS HA 62 LEU MD 5.0 5.93 0.77 REMARK 3 37 HIS HA 86 PRO HG 4.0 5.93 1.63 REMARK 3 37 HIS 1HB 5 LEU MD 4.0 2.72 0.87 REMARK 3 37 HIS 2HB 5 LEU MD 3.5 3.48 0.87 REMARK 3 37 HIS 2HB 5 LEU MD 3.5 3.48 0.75 REMARK 3 37 HIS 2HB 92 MET ME 5.0 3.48 0.54 REMARK 3 37 HIS HD2 5 LEU 1HB 4.0 7.57 2.14 REMARK 3 37 HIS HD2 5 LEU 2HB 3.5 7.57 0.87 REMARK 3 37 HIS HD2 5 LEU MD 4.0 7.57 0.75 REMARK 3 37 HIS HD2 31 ASN HA 5.0 7.57 5.02 REMARK 3 37 HIS HD2 35 PHE HA 3.0 7.57 3.18 REMARK 3 37 HIS HD2 35 PHE HD 4.0 7.57 6.77 REMARK 3 37 HIS HD2 37 HIS 1HB 3.5 7.57 2.72 REMARK 3 37 HIS HD2 37 HIS 2HB 4.0 7.57 3.48 REMARK 3 37 HIS HD2 92 MET ME 5.0 7.57 0.54 REMARK 3 37 HIS HE1 6 GLY HA 5.0 7.16 3.99 REMARK 3 37 HIS HE1 12 LEU HA 5.0 7.16 4.18 REMARK 3 37 HIS HE1 12 LEU HG 5.0 7.16 1.60 REMARK 3 37 HIS HE1 12 LEU MD 3.5 7.16 0.35 REMARK 3 37 HIS HE1 34 GLY HA 5.0 7.16 3.60 REMARK 3 37 HIS HE1 92 MET ME 3.5 7.16 0.54 REMARK 3 37 HIS H 36 PRO HA 2.4 7.57 5.12 REMARK 3 37 HIS H 36 PRO 1HB 4.0 7.57 1.91 REMARK 3 37 HIS H 36 PRO 2HB 5.0 7.57 2.46 REMARK 3 37 HIS HE2 6 GLY HA 5.0 11.50 5.26 REMARK 3 37 HIS HE2 12 LEU MD 5.0 11.50 0.56 REMARK 3 37 HIS HE2 33 ALA H 5.0 11.50 8.98 REMARK 3 37 HIS HE2 34 GLY HA 5.0 11.50 3.60 REMARK 3 37 HIS HE2 34 GLY HA 5.0 11.50 3.46 REMARK 3 37 HIS HE2 35 PHE HA 5.0 11.50 3.18 REMARK 3 37 HIS HE2 35 PHE HB 5.0 11.50 3.26 REMARK 3 37 HIS HE2 35 PHE HD 5.0 11.50 6.77 REMARK 3 37 HIS HE2 35 PHE H 5.0 11.50 5.72 REMARK 3 37 HIS HE2 92 MET ME 5.0 11.50 0.54 REMARK 3 38 ASN HA 38 ASN HB 3.5 4.22 3.26 REMARK 3 38 ASN HA 39 VAL MG2 5.0 4.22 0.17 REMARK 3 38 ASN HA 63 LEU MD 5.0 4.22 0.68 REMARK 3 38 ASN HB 62 LEU MD 4.0 3.32 0.59 REMARK 3 38 ASN H 37 HIS HA 2.7 10.21 5.93 REMARK 3 38 ASN H 37 HIS 1HB 4.0 10.21 2.72 REMARK 3 38 ASN H 37 HIS 2HB 3.5 10.21 3.48 REMARK 3 38 ASN H 38 ASN HB 5.0 10.21 3.26 REMARK 3 38 ASN H 62 LEU MD 5.0 10.21 0.77 REMARK 3 38 ASN H 84 CYS HA 4.3 10.21 5.33 REMARK 3 38 ASN H 84 CYS 1HB 5.0 10.21 3.22 REMARK 3 38 ASN H 85 SER H 4.3 10.21 9.58 REMARK 3 38 ASN 1HD2 40 VAL MG2 4.0 5.73 0.68 REMARK 3 38 ASN 1HD2 85 SER HB 5.0 5.73 4.24 REMARK 3 38 ASN 1HD2 85 SER HB 5.0 5.73 4.10 REMARK 3 38 ASN 2HD2 59 GLU HA 5.0 7.26 3.72 REMARK 3 39 VAL HA 39 VAL MG1 3.5 4.11 -0.32 REMARK 3 39 VAL HA 39 VAL MG2 3.5 4.11 0.17 REMARK 3 39 VAL H 38 ASN HA 2.7 6.18 4.22 REMARK 3 39 VAL H 38 ASN QHB 3.0 6.18 3.26|3.32 REMARK 3 39 VAL H 39 VAL HB 3.5 6.18 1.24 REMARK 3 39 VAL H 39 VAL MG1 5.0 6.18 -0.32 REMARK 3 39 VAL H 39 VAL MG2 4.0 6.18 0.17 REMARK 3 39 VAL H 40 VAL MG2 5.0 6.18 0.68 REMARK 3 39 VAL H 57 MET HB 4.0 6.18 1.36 REMARK 3 40 VAL HA 39 VAL MG1 5.0 3.94 -0.32 REMARK 3 40 VAL HA 40 VAL MG1 3.5 3.94 0.82 REMARK 3 40 VAL HA 40 VAL MG2 4.0 3.94 0.68 REMARK 3 40 VAL H 39 VAL HA 2.4 8.88 4.11 REMARK 3 40 VAL H 39 VAL MG1 4.0 8.88 -0.32 REMARK 3 40 VAL H 39 VAL MG2 5.0 8.88 0.17 REMARK 3 40 VAL H 40 VAL HB 4.0 8.88 0.92 REMARK 3 40 VAL H 40 VAL MG1 4.0 8.88 0.82 REMARK 3 40 VAL H 40 VAL MG2 4.0 8.88 0.68 REMARK 3 40 VAL H 82 PHE 1HB 5.0 8.88 1.89 REMARK 3 41 PHE HA 41 PHE HB 4.0 4.68 2.88 REMARK 3 41 PHE HB 46 ILE MG 4.0 2.88 1.34 REMARK 3 41 PHE HB 55 ILE MG 5.5 2.88 -0.06 REMARK 3 41 PHE HB 46 ILE MG 5.0 2.70 1.34 REMARK 3 41 PHE HB 52 ALA MB 5.0 2.70 1.51 REMARK 3 41 PHE HB 55 ILE MG 5.5 2.70 -0.06 REMARK 3 41 PHE HD 39 VAL MG1 4.0 7.27 -0.32 REMARK 3 41 PHE HD 40 VAL HA 5.0 7.27 3.94 REMARK 3 41 PHE HD 46 ILE MD 5.0 7.27 0.79 REMARK 3 41 PHE HD 46 ILE MG 3.5 7.27 1.34 REMARK 3 41 PHE HD 52 ALA HA 5.0 7.27 3.77 REMARK 3 41 PHE HD 52 ALA MB 5.0 7.27 1.51 REMARK 3 41 PHE HD 55 ILE MD 5.0 7.27 0.67 REMARK 3 41 PHE HD 55 ILE MG 4.5 7.27 -0.06 REMARK 3 41 PHE HD 55 ILE QHG 4.0 7.27 1.06|1.08 REMARK 3 41 PHE HD 56 SER HA 3.5 7.27 4.86 REMARK 3 41 PHE HD 56 SER HG 5.0 7.27 5.91 REMARK 3 41 PHE HD 74 LEU MD 5.0 7.27 -0.22 REMARK 3 41 PHE HD 80 TYR HA 5.0 7.27 5.52 REMARK 3 41 PHE HD 80 TYR 1HB 4.0 7.27 3.66 REMARK 3 41 PHE HD 80 TYR 2HB 3.5 7.27 3.05 REMARK 3 41 PHE HD 80 TYR HD 4.0 7.27 7.11 REMARK 3 41 PHE HD 82 PHE HA 5.0 7.27 5.34 REMARK 3 41 PHE HD 82 PHE 1HB 5.0 7.27 1.89 REMARK 3 41 PHE HD 82 PHE 2HB 4.0 7.27 1.65 REMARK 3 41 PHE HD 82 PHE HD 5.0 7.27 6.28 REMARK 3 41 PHE HD 96 VAL MG1 5.0 7.27 0.95 REMARK 3 41 PHE HE 29 PHE HZ 5.0 7.05 5.90 REMARK 3 41 PHE HE 39 VAL MG1 3.5 7.05 -0.32 REMARK 3 41 PHE HE 55 ILE HB 5.0 7.05 1.68 REMARK 3 41 PHE HE 56 SER HA 4.0 7.05 4.86 REMARK 3 41 PHE HE 74 LEU MD 5.0 7.05 0.22 REMARK 3 41 PHE HE 74 LEU MD 4.0 7.05 -0.22 REMARK 3 41 PHE HE 80 TYR 1HB 4.0 7.05 3.66 REMARK 3 41 PHE HE 80 TYR 2HB 3.5 7.05 3.05 REMARK 3 41 PHE HE 82 PHE 1HB 5.0 7.05 1.89 REMARK 3 41 PHE HE 82 PHE HD 3.5 7.05 6.28 REMARK 3 41 PHE HE 82 PHE HE 5.0 7.05 5.77 REMARK 3 41 PHE HE 96 VAL MG1 3.5 7.05 0.95 REMARK 3 41 PHE H 40 VAL HA 2.4 8.66 3.94 REMARK 3 41 PHE H 40 VAL MG1 4.0 8.66 0.82 REMARK 3 41 PHE H 40 VAL MG2 5.0 8.66 0.68 REMARK 3 41 PHE H 41 PHE HB 5.0 8.66 2.88 REMARK 3 41 PHE H 41 PHE HB 4.0 8.66 2.70 REMARK 3 41 PHE H 41 PHE HD 4.0 8.66 7.27 REMARK 3 41 PHE H 56 SER HG 4.0 8.66 5.91 REMARK 3 41 PHE HZ 29 PHE HZ 5.0 6.67 5.90 REMARK 3 41 PHE HZ 74 LEU MD 5.0 6.67 0.22 REMARK 3 41 PHE HZ 74 LEU MD 4.0 6.67 -0.22 REMARK 3 42 ASP H 41 PHE HA 3.5 8.39 4.68 REMARK 3 42 ASP H 41 PHE HB 4.0 8.39 2.88 REMARK 3 42 ASP H 42 ASP 1HB 3.5 8.39 2.47 REMARK 3 42 ASP H 42 ASP 2HB 3.5 8.39 2.97 REMARK 3 42 ASP H 82 PHE HA 3.5 8.39 5.34 REMARK 3 42 ASP H 83 TYR HD 5.0 8.39 6.69 REMARK 3 43 GLU HA 43 GLU 1HB 3.5 4.02 2.20 REMARK 3 43 GLU HA 43 GLU 2HB 3.5 4.02 2.08 REMARK 3 43 GLU HA 46 ILE HG 3.0 4.02 1.30 REMARK 3 43 GLU HA 52 ALA MB 3.5 4.02 1.51 REMARK 3 43 GLU H 42 ASP HA 3.5 8.70 4.62 REMARK 3 43 GLU H 43 GLU 1HB 4.0 8.70 2.20 REMARK 3 43 GLU H 43 GLU 2HB 3.5 8.70 2.08 REMARK 3 43 GLU H 43 GLU HG 4.0 8.70 2.38 REMARK 3 43 GLU H 44 ASP H 3.5 8.70 8.60 REMARK 3 43 GLU H 52 ALA MB 5.0 8.70 1.51 REMARK 3 44 ASP HA 44 ASP HB 4.0 4.80 2.72 REMARK 3 44 ASP H 44 ASP HB 4.0 8.60 2.83 REMARK 3 44 ASP H 44 ASP HB 3.5 8.60 2.72 REMARK 3 44 ASP H 45 GLU H 3.0 8.60 8.27 REMARK 3 45 GLU HA 45 GLU HB 3.5 4.66 2.41 REMARK 3 45 GLU HA 45 GLU HB 3.5 4.66 1.64 REMARK 3 45 GLU HA 45 GLU HG 4.0 4.66 2.17 REMARK 3 45 GLU HA 45 GLU HG 3.5 4.66 2.09 REMARK 3 45 GLU H 42 ASP 2HB 5.0 8.27 2.97 REMARK 3 45 GLU H 44 ASP HB 5.0 8.27 2.83 REMARK 3 45 GLU H 45 GLU HB 3.5 8.27 2.41 REMARK 3 45 GLU H 45 GLU HB 4.0 8.27 1.64 REMARK 3 45 GLU H 46 ILE H 3.5 8.27 7.14 REMARK 3 46 ILE HA 46 ILE HB 3.5 4.97 1.66 REMARK 3 46 ILE HA 46 ILE MG 3.0 4.97 1.34 REMARK 3 46 ILE HA 47 PRO HD 2.4 4.97 2.57 REMARK 3 46 ILE HA 47 PRO HD 3.0 4.97 2.08 REMARK 3 46 ILE HA 47 PRO HG 5.0 4.97 1.17 REMARK 3 46 ILE H 45 GLU HA 3.5 7.14 4.66 REMARK 3 46 ILE H 46 ILE HG 3.0 7.14 1.30 REMARK 3 46 ILE H 46 ILE HG 3.0 7.14 1.24 REMARK 3 47 PRO HA 47 PRO HD 5.0 4.21 2.57 REMARK 3 47 PRO HD 46 ILE HB 4.0 2.57 1.66 REMARK 3 47 PRO HD 46 ILE HB 4.0 2.08 1.66 REMARK 3 48 ALA H 47 PRO HA 3.0 8.22 4.21 REMARK 3 48 ALA H 47 PRO 1HB 5.0 8.22 1.47 REMARK 3 48 ALA H 47 PRO 2HB 4.0 8.22 2.30 REMARK 3 48 ALA H 48 ALA MB 3.0 8.22 1.39 REMARK 3 49 GLY H 48 ALA MB 3.5 8.66 1.39 REMARK 3 49 GLY H 50 VAL H 3.0 8.66 7.44 REMARK 3 50 VAL HA 50 VAL MG2 3.0 3.97 0.87 REMARK 3 50 VAL H 49 GLY HA 3.5 7.44 4.21 REMARK 3 50 VAL H 49 GLY HA 5.0 7.44 3.64 REMARK 3 50 VAL H 50 VAL HB 3.5 7.44 2.00 REMARK 3 50 VAL H 50 VAL MG2 3.5 7.44 0.87 REMARK 3 51 ASP HA 46 ILE MD 5.0 4.84 0.79 REMARK 3 51 ASP HA 50 VAL MG1 5.0 4.84 0.92 REMARK 3 51 ASP HA 51 ASP 1HB 3.5 4.84 2.59 REMARK 3 51 ASP HA 52 ALA MB 5.0 4.84 1.51 REMARK 3 51 ASP H 50 VAL HA 3.0 8.44 3.97 REMARK 3 51 ASP H 50 VAL MG1 3.5 8.44 0.92 REMARK 3 51 ASP H 51 ASP 1HB 4.0 8.44 2.59 REMARK 3 51 ASP H 51 ASP 2HB 3.5 8.44 2.87 REMARK 3 52 ALA HA 46 ILE MD 4.0 3.77 0.79 REMARK 3 52 ALA HA 55 ILE MD 5.0 3.77 0.67 REMARK 3 52 ALA HA 55 ILE MG 4.5 3.77 -0.06 REMARK 3 52 ALA HA 55 ILE QHG 4.0 3.77 1.06|1.08 REMARK 3 52 ALA H 46 ILE MD 4.0 9.24 0.79 REMARK 3 52 ALA H 50 VAL MG1 5.0 9.24 0.92 REMARK 3 52 ALA H 51 ASP HA 3.5 9.24 4.84 REMARK 3 52 ALA H 51 ASP 1HB 5.0 9.24 2.59 REMARK 3 52 ALA H 51 ASP 2HB 5.0 9.24 2.87 REMARK 3 52 ALA H 52 ALA MB 3.0 9.24 1.51 REMARK 3 52 ALA H 53 VAL H 3.5 9.24 8.35 REMARK 3 52 ALA H 54 LYS H 4.3 9.24 7.25 REMARK 3 53 VAL HA 53 VAL MG1 3.5 3.80 0.98 REMARK 3 53 VAL HA 53 VAL MG2 3.5 3.80 1.11 REMARK 3 53 VAL H 52 ALA MB 4.0 8.35 1.51 REMARK 3 53 VAL H 53 VAL HB 3.0 8.35 2.30 REMARK 3 53 VAL H 53 VAL MG1 4.0 8.35 0.98 REMARK 3 53 VAL H 53 VAL MG2 3.5 8.35 1.11 REMARK 3 53 VAL H 54 LYS H 3.0 8.35 7.25 REMARK 3 54 LYS HA 53 VAL MG1 5.0 4.23 0.98 REMARK 3 54 LYS HA 54 LYS HB 3.0 4.23 2.02 REMARK 3 54 LYS H 53 VAL HB 4.0 7.25 2.30 REMARK 3 54 LYS H 54 LYS HB 3.0 7.25 1.97 REMARK 3 54 LYS H 54 LYS HG 4.0 7.25 1.59 REMARK 3 54 LYS H 54 LYS HG 4.0 7.25 1.46 REMARK 3 54 LYS H 55 ILE H 3.0 7.25 6.94 REMARK 3 55 ILE HA 55 ILE HB 3.0 4.50 1.68 REMARK 3 55 ILE HA 55 ILE MD 4.0 4.50 0.67 REMARK 3 55 ILE HA 55 ILE MG 5.0 4.50 -0.06 REMARK 3 55 ILE HA 72 VAL MG2 3.5 4.50 1.02 REMARK 3 55 ILE H 52 ALA HA 4.0 6.94 3.77 REMARK 3 55 ILE H 54 LYS QHB 4.0 6.94 1.97|2.02 REMARK 3 55 ILE H 55 ILE HB 5.0 6.94 1.68 REMARK 3 55 ILE H 55 ILE MD 4.5 6.94 0.67 REMARK 3 55 ILE H 55 ILE MG 4.0 6.94 -0.06 REMARK 3 55 ILE H 55 ILE QHG 4.0 6.94 1.06|1.08 REMARK 3 56 SER HA 39 VAL MG1 5.0 4.86 -0.32 REMARK 3 56 SER HA 55 ILE QHG 5.0 4.86 1.06|1.08 REMARK 3 56 SER HA 56 SER 1HB 3.0 4.86 3.88 REMARK 3 56 SER HA 56 SER 2HB 3.0 4.86 4.32 REMARK 3 56 SER 2HB 40 VAL MG1 4.0 4.32 0.82 REMARK 3 56 SER 2HB 40 VAL MG2 5.0 4.32 0.68 REMARK 3 56 SER H 53 VAL HA 4.3 7.42 3.80 REMARK 3 56 SER H 55 ILE H 2.7 7.42 6.94 REMARK 3 56 SER H 55 ILE MD 5.0 7.42 0.67 REMARK 3 56 SER H 55 ILE MG 5.0 7.42 -0.06 REMARK 3 56 SER H 55 ILE QHG 4.0 7.42 1.06|1.08 REMARK 3 56 SER H 56 SER 1HB 3.5 7.42 3.88 REMARK 3 56 SER H 56 SER 2HB 5.0 7.42 4.32 REMARK 3 56 SER H 56 SER HG 4.0 7.42 5.91 REMARK 3 56 SER HG 40 VAL MG1 4.0 5.91 0.82 REMARK 3 56 SER HG 52 ALA MB 4.0 5.91 1.51 REMARK 3 56 SER HG 55 ILE QHG 4.5 5.91 1.06|1.08 REMARK 3 57 MET HA 57 MET HB 4.0 4.14 1.92 REMARK 3 57 MET HA 57 MET HB 4.0 4.14 1.36 REMARK 3 57 MET HA 57 MET HG 3.5 4.14 1.76 REMARK 3 57 MET HA 58 PRO HD 2.4 4.14 3.85 REMARK 3 57 MET HA 58 PRO HD 2.7 4.14 3.39 REMARK 3 57 MET H 40 VAL MG2 5.0 8.48 0.68 REMARK 3 57 MET H 56 SER HA 3.5 8.48 4.86 REMARK 3 57 MET H 56 SER 2HB 4.0 8.48 4.32 REMARK 3 57 MET H 57 MET HB 3.5 8.48 1.36 REMARK 3 57 MET H 57 MET HG 5.0 8.48 1.76 REMARK 3 58 PRO HD 57 MET HB 4.0 3.39 1.92 REMARK 3 58 PRO HD 57 MET ME 4.0 3.39 1.89 REMARK 3 59 GLU HA 40 VAL MG2 4.0 3.72 0.68 REMARK 3 59 GLU HA 59 GLU HB 3.5 3.72 2.02 REMARK 3 59 GLU H 58 PRO HA 2.4 8.31 4.36 REMARK 3 59 GLU H 58 PRO 1HB 5.0 8.31 1.73 REMARK 3 59 GLU H 58 PRO 2HB 4.0 8.31 2.44 REMARK 3 59 GLU H 59 GLU HB 3.0 8.31 2.09 REMARK 3 59 GLU H 59 GLU HG 5.0 8.31 2.38 REMARK 3 60 GLU H 59 GLU HA 3.5 8.60 3.72 REMARK 3 60 GLU H 59 GLU H 4.3 8.60 8.31 REMARK 3 60 GLU H 60 GLU HB 4.0 8.60 2.15 REMARK 3 60 GLU H 60 GLU HB 4.0 8.60 1.98 REMARK 3 60 GLU H 60 GLU HG 4.0 8.60 2.21 REMARK 3 60 GLU H 61 GLU H 3.0 8.60 7.90 REMARK 3 61 GLU HA 61 GLU HB 3.5 4.36 2.01 REMARK 3 61 GLU HA 61 GLU HB 3.5 4.36 1.84 REMARK 3 61 GLU H 58 PRO 1HB 4.0 7.90 1.73 REMARK 3 61 GLU H 58 PRO 2HB 5.0 7.90 2.44 REMARK 3 61 GLU H 59 GLU HA 4.3 7.90 3.72 REMARK 3 61 GLU H 60 GLU HA 3.5 7.90 4.14 REMARK 3 61 GLU H 61 GLU HB 3.5 7.90 2.01 REMARK 3 61 GLU H 61 GLU HB 3.5 7.90 1.84 REMARK 3 61 GLU H 61 GLU HG 4.0 7.90 2.23 REMARK 3 61 GLU H 61 GLU HG 4.0 7.90 2.12 REMARK 3 62 LEU HA 38 ASN HB 3.5 4.62 3.32 REMARK 3 62 LEU HA 38 ASN HB 3.5 4.62 3.26 REMARK 3 62 LEU HA 57 MET ME 4.0 4.62 1.89 REMARK 3 62 LEU HA 62 LEU HB 3.5 4.62 1.22 REMARK 3 62 LEU HA 62 LEU MD 4.0 4.62 0.77 REMARK 3 62 LEU HA 62 LEU MD 3.5 4.62 0.59 REMARK 3 62 LEU H 61 GLU HA 2.7 7.96 4.36 REMARK 3 62 LEU H 61 GLU HB 4.0 7.96 2.01 REMARK 3 62 LEU H 61 GLU HB 4.0 7.96 1.84 REMARK 3 62 LEU H 61 GLU HG 5.0 7.96 2.23 REMARK 3 62 LEU H 61 GLU HG 5.0 7.96 2.12 REMARK 3 62 LEU H 62 LEU HB 3.5 7.96 1.55 REMARK 3 62 LEU H 62 LEU HB 4.0 7.96 1.22 REMARK 3 62 LEU H 62 LEU HG 4.0 7.96 1.45 REMARK 3 62 LEU H 62 LEU MD 5.0 7.96 0.77 REMARK 3 62 LEU H 62 LEU MD 5.0 7.96 0.59 REMARK 3 63 LEU HA 63 LEU 1HB 4.0 4.45 1.94 REMARK 3 63 LEU HA 63 LEU 2HB 3.5 4.45 1.07 REMARK 3 63 LEU HA 63 LEU HG 4.0 4.45 1.49 REMARK 3 63 LEU HA 63 LEU MD 3.0 4.45 0.77 REMARK 3 63 LEU HA 63 LEU MD 4.0 4.45 0.68 REMARK 3 63 LEU H 37 HIS H 4.3 9.18 7.57 REMARK 3 63 LEU H 38 ASN HA 4.3 9.18 4.22 REMARK 3 63 LEU H 62 LEU HA 3.5 9.18 4.62 REMARK 3 63 LEU H 62 LEU HB 5.0 9.18 1.55 REMARK 3 63 LEU H 62 LEU HB 4.0 9.18 1.22 REMARK 3 63 LEU H 62 LEU MD 5.0 9.18 0.59 REMARK 3 63 LEU H 63 LEU 1HB 3.5 9.18 1.94 REMARK 3 63 LEU H 63 LEU 2HB 5.0 9.18 1.07 REMARK 3 63 LEU H 63 LEU HG 3.5 9.18 1.49 REMARK 3 63 LEU H 63 LEU MD 5.0 9.18 0.68 REMARK 3 64 ASN HA 64 ASN HB 3.5 4.66 2.63 REMARK 3 64 ASN H 63 LEU HA 2.7 8.43 4.45 REMARK 3 64 ASN H 63 LEU 2HB 4.0 8.43 1.07 REMARK 3 64 ASN H 63 LEU MD 4.0 8.43 0.77 REMARK 3 64 ASN H 64 ASN HB 4.0 8.43 2.72 REMARK 3 64 ASN H 64 ASN HB 4.0 8.43 2.63 REMARK 3 64 ASN H 65 ALA H 3.0 8.43 8.23 REMARK 3 65 ALA HA 66 PRO HD 2.7 4.55 3.59 REMARK 3 65 ALA HA 66 PRO HD 2.4 4.55 3.45 REMARK 3 65 ALA H 31 ASN 1HD2 5.0 8.23 5.10 REMARK 3 65 ALA H 31 ASN 2HD2 4.0 8.23 6.72 REMARK 3 65 ALA H 64 ASN HB 4.0 8.23 2.72 REMARK 3 65 ALA H 64 ASN HB 5.0 8.23 2.63 REMARK 3 65 ALA H 65 ALA MB 3.5 8.23 1.26 REMARK 3 66 PRO HA 31 ASN HB 4.0 3.63 2.71 REMARK 3 66 PRO HA 66 PRO 2HB 4.0 3.63 2.38 REMARK 3 66 PRO HD 65 ALA MB 3.5 3.59 1.26 REMARK 3 66 PRO HD 65 ALA MB 4.0 3.45 1.26 REMARK 3 67 GLY HA 30 LYS QHD 5.0 3.52 1.52 REMARK 3 67 GLY HA 30 LYS QHG 3.5 3.52 1.11 REMARK 3 67 GLY H 31 ASN HB 4.0 8.33 2.85 REMARK 3 67 GLY H 31 ASN HB 4.0 8.33 2.71 REMARK 3 67 GLY H 66 PRO HA 2.4 8.33 3.63 REMARK 3 67 GLY H 68 GLU H 3.5 8.33 7.30 REMARK 3 68 GLU HA 68 GLU HG 3.5 4.26 2.46 REMARK 3 68 GLU H 31 ASN HB 4.0 7.30 2.85 REMARK 3 68 GLU H 65 ALA MB 4.0 7.30 1.26 REMARK 3 68 GLU H 68 GLU HB 3.0 7.30 2.08 REMARK 3 68 GLU H 68 GLU HG 4.0 7.30 2.46 REMARK 3 68 GLU H 68 GLU HG 4.0 7.30 2.40 REMARK 3 69 THR HA 30 LYS HA 2.7 5.88 4.78 REMARK 3 69 THR HA 30 LYS HB 5.0 5.88 1.73 REMARK 3 69 THR HA 30 LYS HB 5.0 5.88 1.31 REMARK 3 69 THR HA 63 LEU MD 4.0 5.88 0.77 REMARK 3 69 THR HA 63 LEU MD 5.0 5.88 0.68 REMARK 3 69 THR HA 69 THR HB 3.5 5.88 3.96 REMARK 3 69 THR HA 69 THR MG 3.5 5.88 1.07 REMARK 3 69 THR H 68 GLU HA 2.7 8.23 4.26 REMARK 3 69 THR H 68 GLU QHB 3.5 8.23 2.05|2.08 REMARK 3 69 THR H 69 THR HB 5.0 8.23 3.96 REMARK 3 69 THR H 69 THR MG 4.0 8.23 1.07 REMARK 3 70 TYR HA 70 TYR 1HB 3.5 4.97 3.40 REMARK 3 70 TYR HA 71 VAL MG2 5.0 4.97 0.89 REMARK 3 70 TYR 1HB 63 LEU MD 4.0 3.40 0.77 REMARK 3 70 TYR 1HB 63 LEU MD 4.0 3.40 0.68 REMARK 3 70 TYR 2HB 57 MET HG 5.0 2.63 1.58 REMARK 3 70 TYR 2HB 63 LEU MD 5.0 2.63 0.77 REMARK 3 70 TYR 2HB 63 LEU MD 5.0 2.63 0.68 REMARK 3 70 TYR HD 29 PHE HB 5.0 7.01 3.50 REMARK 3 70 TYR HD 39 VAL HB 4.0 7.01 1.24 REMARK 3 70 TYR HD 39 VAL MG1 4.0 7.01 -0.32 REMARK 3 70 TYR HD 39 VAL MG2 4.0 7.01 0.17 REMARK 3 70 TYR HD 70 TYR HA 4.0 7.01 4.97 REMARK 3 70 TYR HE 39 VAL HB 4.0 6.66 1.24 REMARK 3 70 TYR HE 39 VAL MG1 4.0 6.66 -0.32 REMARK 3 70 TYR HE 39 VAL MG2 5.0 6.66 0.17 REMARK 3 70 TYR HE 56 SER HA 5.0 6.66 4.86 REMARK 3 70 TYR HE 57 MET HG 5.0 6.66 1.76 REMARK 3 70 TYR HE 70 TYR HA 5.0 6.66 4.97 REMARK 3 70 TYR HE 72 VAL HB 4.0 6.66 1.83 REMARK 3 70 TYR HE 72 VAL MG1 3.5 6.66 0.98 REMARK 3 70 TYR H 29 PHE HB 5.0 9.04 3.50 REMARK 3 70 TYR H 29 PHE HB 5.0 9.04 2.81 REMARK 3 70 TYR H 29 PHE HD 5.0 9.04 7.22 REMARK 3 70 TYR H 63 LEU MD 5.0 9.04 0.68 REMARK 3 70 TYR H 69 THR HA 2.4 9.04 5.88 REMARK 3 70 TYR H 69 THR HB 3.5 9.04 3.96 REMARK 3 70 TYR H 69 THR MG 4.0 9.04 1.07 REMARK 3 70 TYR H 70 TYR 1HB 5.0 9.04 3.40 REMARK 3 70 TYR H 70 TYR 2HB 3.5 9.04 2.63 REMARK 3 71 VAL HA 28 VAL HA 4.0 5.10 4.17 REMARK 3 71 VAL HA 28 VAL MG1 5.0 5.10 0.81 REMARK 3 71 VAL HA 28 VAL MG2 5.0 5.10 0.79 REMARK 3 71 VAL HA 71 VAL MG1 3.5 5.10 0.73 REMARK 3 71 VAL HA 71 VAL MG2 3.5 5.10 0.89 REMARK 3 71 VAL H 70 TYR HA 2.7 7.75 4.97 REMARK 3 71 VAL H 70 TYR HD 5.0 7.75 7.01 REMARK 3 71 VAL H 71 VAL HB 3.5 7.75 1.74 REMARK 3 71 VAL H 71 VAL MG1 5.0 7.75 0.73 REMARK 3 71 VAL H 71 VAL MG2 3.5 7.75 0.89 REMARK 3 72 VAL HA 71 VAL MG1 5.0 4.39 0.73 REMARK 3 72 VAL HA 72 VAL MG2 4.0 4.39 1.02 REMARK 3 72 VAL H 28 VAL HA 4.3 8.75 4.17 REMARK 3 72 VAL H 71 VAL HA 2.4 8.75 5.10 REMARK 3 72 VAL H 71 VAL MG1 3.5 8.75 0.73 REMARK 3 72 VAL H 71 VAL MG2 5.0 8.75 0.89 REMARK 3 72 VAL H 72 VAL HB 4.0 8.75 1.83 REMARK 3 72 VAL H 72 VAL MG1 4.0 8.75 0.98 REMARK 3 73 THR HA 72 VAL MG1 5.0 4.45 0.98 REMARK 3 73 THR HA 72 VAL MG2 5.0 4.45 1.02 REMARK 3 73 THR HA 73 THR HB 4.0 4.45 3.73 REMARK 3 73 THR HA 73 THR MG 3.5 4.45 0.84 REMARK 3 73 THR H 72 VAL HA 2.4 8.00 4.39 REMARK 3 73 THR H 72 VAL MG2 3.5 8.00 1.02 REMARK 3 73 THR H 73 THR HB 4.0 8.00 3.73 REMARK 3 73 THR H 73 THR MG 5.0 8.00 0.84 REMARK 3 74 LEU HA 74 LEU 1HB 3.5 4.48 1.59 REMARK 3 74 LEU HA 74 LEU MD 3.0 4.48 0.22 REMARK 3 74 LEU HA 74 LEU MD 4.0 4.48 -0.22 REMARK 3 74 LEU H 73 THR HA 2.4 8.78 4.45 REMARK 3 74 LEU H 73 THR MG 3.5 8.78 0.84 REMARK 3 74 LEU H 74 LEU 1HB 4.0 8.78 1.59 REMARK 3 74 LEU H 74 LEU HG 3.5 8.78 1.24 REMARK 3 74 LEU H 74 LEU MD 5.0 8.78 0.22 REMARK 3 74 LEU H 74 LEU MD 5.0 8.78 -0.22 REMARK 3 75 ASP HA 23 SER HA 4.3 4.77 3.95 REMARK 3 75 ASP HA 75 ASP HB 4.0 4.77 2.51 REMARK 3 75 ASP HA 98 VAL QMG 5.0 4.77 0.73|0.74 REMARK 3 75 ASP H 74 LEU HA 2.4 8.48 4.48 REMARK 3 75 ASP H 74 LEU 1HB 5.0 8.48 1.59 REMARK 3 75 ASP H 74 LEU 2HB 4.0 8.48 0.86 REMARK 3 75 ASP H 74 LEU MD 4.0 8.48 0.22 REMARK 3 75 ASP H 76 THR H 3.5 8.48 8.05 REMARK 3 76 THR HA 50 VAL MG2 5.0 4.16 0.87 REMARK 3 76 THR HA 75 ASP HB 5.0 4.16 2.51 REMARK 3 76 THR HA 76 THR MG 3.5 4.16 1.25 REMARK 3 76 THR H 75 ASP HB 4.0 8.05 2.51 REMARK 3 76 THR H 76 THR HB 4.0 8.05 3.87 REMARK 3 76 THR H 76 THR MG 5.0 8.05 1.25 REMARK 3 76 THR H 98 VAL QMG 5.0 8.05 0.73|0.74 REMARK 3 77 LYS HA 77 LYS HB 3.5 4.02 1.93 REMARK 3 77 LYS HA 77 LYS HB 3.5 4.02 1.73 REMARK 3 77 LYS HA 77 LYS HG 4.0 4.02 1.60 REMARK 3 77 LYS HA 98 VAL HB 3.0 4.02 2.42 REMARK 3 77 LYS HA 98 VAL QMG 3.5 4.02 0.73|0.74 REMARK 3 77 LYS H 76 THR HA 2.4 8.86 4.16 REMARK 3 77 LYS H 76 THR MG 4.0 8.86 1.25 REMARK 3 77 LYS H 77 LYS HB 4.0 8.86 1.93 REMARK 3 77 LYS H 77 LYS HB 3.5 8.86 1.73 REMARK 3 77 LYS H 77 LYS HG 3.5 8.86 1.60 REMARK 3 77 LYS H 77 LYS HG 4.0 8.86 1.32 REMARK 3 78 GLY H 77 LYS HA 2.7 8.62 4.02 REMARK 3 78 GLY H 77 LYS HB 4.0 8.62 1.93 REMARK 3 78 GLY H 77 LYS HB 4.0 8.62 1.73 REMARK 3 78 GLY H 77 LYS HG 5.0 8.62 1.60 REMARK 3 78 GLY H 77 LYS HG 5.0 8.62 1.32 REMARK 3 78 GLY H 80 TYR HE 5.0 8.62 6.55 REMARK 3 78 GLY H 97 THR MG 5.0 8.62 1.08 REMARK 3 78 GLY H 98 VAL HB 3.5 8.62 2.42 REMARK 3 79 THR HA 79 THR HB 4.0 5.30 3.86 REMARK 3 79 THR HA 79 THR MG 3.5 5.30 1.20 REMARK 3 79 THR HA 97 THR HA 3.0 5.30 4.92 REMARK 3 79 THR HA 97 THR MG 5.0 5.30 1.08 REMARK 3 79 THR H 47 PRO HG 4.0 8.39 1.35 REMARK 3 79 THR H 78 GLY HA 3.5 8.39 4.60 REMARK 3 79 THR H 79 THR MG 4.0 8.39 1.20 REMARK 3 80 TYR HA 46 ILE HA 3.0 5.52 4.97 REMARK 3 80 TYR HA 46 ILE HB 5.0 5.52 1.66 REMARK 3 80 TYR HA 46 ILE MG 3.5 5.52 1.34 REMARK 3 80 TYR HA 47 PRO HD 4.0 5.52 2.57 REMARK 3 80 TYR HA 79 THR MG 5.0 5.52 1.20 REMARK 3 80 TYR HA 80 TYR 1HB 4.0 5.52 3.66 REMARK 3 80 TYR HA 80 TYR 2HB 4.0 5.52 3.05 REMARK 3 80 TYR 1HB 74 LEU MD 5.0 3.66 -0.22 REMARK 3 80 TYR 1HB 96 VAL MG1 3.0 3.66 0.95 REMARK 3 80 TYR 2HB 96 VAL MG1 4.0 3.05 0.95 REMARK 3 80 TYR HD 46 ILE HB 5.0 7.11 1.66 REMARK 3 80 TYR HD 46 ILE MG 4.0 7.11 1.34 REMARK 3 80 TYR HD 47 PRO HD 5.0 7.11 2.57 REMARK 3 80 TYR HD 47 PRO HD 5.0 7.11 2.08 REMARK 3 80 TYR HD 55 ILE MG 4.5 7.11 -0.06 REMARK 3 80 TYR HD 74 LEU MD 5.0 7.11 0.22 REMARK 3 80 TYR HD 74 LEU MD 5.0 7.11 -0.22 REMARK 3 80 TYR HD 79 THR HA 5.0 7.11 5.30 REMARK 3 80 TYR HD 80 TYR HA 4.0 7.11 5.52 REMARK 3 80 TYR HD 96 VAL MG1 4.0 7.11 0.95 REMARK 3 80 TYR HD 97 THR HA 5.0 7.11 4.92 REMARK 3 80 TYR HD 98 VAL QMG 4.0 7.11 0.73|0.74 REMARK 3 80 TYR HE 46 ILE HB 5.0 6.55 1.66 REMARK 3 80 TYR HE 47 PRO HD 5.0 6.55 2.57 REMARK 3 80 TYR HE 47 PRO HD 5.0 6.55 2.08 REMARK 3 80 TYR HE 47 PRO HG 5.0 6.55 1.17 REMARK 3 80 TYR HE 50 VAL HB 5.0 6.55 2.00 REMARK 3 80 TYR HE 50 VAL MG1 3.0 6.55 0.92 REMARK 3 80 TYR HE 50 VAL MG2 5.0 6.55 0.87 REMARK 3 80 TYR HE 55 ILE MD 5.0 6.55 0.67 REMARK 3 80 TYR HE 55 ILE MG 4.5 6.55 -0.06 REMARK 3 80 TYR HE 74 LEU 1HB 5.0 6.55 1.59 REMARK 3 80 TYR HE 74 LEU 2HB 5.0 6.55 0.86 REMARK 3 80 TYR HE 74 LEU MD 4.0 6.55 0.22 REMARK 3 80 TYR HE 74 LEU MD 4.0 6.55 -0.22 REMARK 3 80 TYR HE 76 THR HB 5.0 6.55 3.87 REMARK 3 80 TYR HE 77 LYS HA 5.0 6.55 4.02 REMARK 3 80 TYR HE 98 VAL HB 3.5 6.55 2.42 REMARK 3 80 TYR HE 98 VAL QMG 3.0 6.55 0.73|0.74 REMARK 3 80 TYR H 79 THR HA 2.4 9.72 5.30 REMARK 3 80 TYR H 79 THR HB 5.0 9.72 3.86 REMARK 3 80 TYR H 79 THR H 4.3 9.72 8.39 REMARK 3 80 TYR H 79 THR MG 4.0 9.72 1.20 REMARK 3 80 TYR H 80 TYR 1HB 4.0 9.72 3.66 REMARK 3 80 TYR H 80 TYR 2HB 5.0 9.72 3.05 REMARK 3 80 TYR H 80 TYR HD 3.5 9.72 7.11 REMARK 3 80 TYR H 96 VAL H 4.3 9.72 9.08 REMARK 3 80 TYR H 96 VAL MG1 5.0 9.72 0.95 REMARK 3 80 TYR H 97 THR HA 4.3 9.72 4.92 REMARK 3 80 TYR HH 47 PRO 1HB 5.0 10.16 1.47 REMARK 3 80 TYR HH 47 PRO HD 5.0 10.16 2.08 REMARK 3 80 TYR HH 47 PRO HG 5.0 10.16 1.35 REMARK 3 80 TYR HH 47 PRO HG 4.0 10.16 1.17 REMARK 3 80 TYR HH 50 VAL MG2 4.0 10.16 0.87 REMARK 3 80 TYR HH 55 ILE MG 5.5 10.16 -0.06 REMARK 3 80 TYR HH 74 LEU MD 5.0 10.16 0.22 REMARK 3 80 TYR HH 74 LEU MD 5.0 10.16 -0.22 REMARK 3 80 TYR HH 75 ASP H 5.0 10.16 8.48 REMARK 3 80 TYR HH 76 THR HB 3.5 10.16 3.87 REMARK 3 80 TYR HH 76 THR H 4.0 10.16 8.05 REMARK 3 80 TYR HH 76 THR MG 4.0 10.16 1.25 REMARK 3 80 TYR HH 77 LYS HA 5.0 10.16 4.02 REMARK 3 80 TYR HH 77 LYS H 5.0 10.16 8.86 REMARK 3 80 TYR HH 98 VAL HB 5.0 10.16 2.42 REMARK 3 80 TYR HH 98 VAL QMG 4.0 10.16 0.73|0.74 REMARK 3 81 SER HA 81 SER HB 3.5 5.28 4.15 REMARK 3 81 SER HA 95 LYS HA 3.0 5.28 5.11 REMARK 3 81 SER HA 95 LYS QHB 4.0 5.28 1.57 REMARK 3 81 SER HA 95 LYS QHG 4.0 5.28 1.32 REMARK 3 81 SER H 80 TYR HA 2.4 8.40 5.52 REMARK 3 81 SER H 80 TYR 2HB 5.0 8.40 3.05 REMARK 3 81 SER H 81 SER HB 3.5 8.40 3.96 REMARK 3 82 PHE HA 41 PHE HA 2.4 5.34 4.68 REMARK 3 82 PHE HA 41 PHE HB 5.0 5.34 2.88 REMARK 3 82 PHE HA 42 ASP 1HB 5.0 5.34 2.47 REMARK 3 82 PHE HA 82 PHE 1HB 3.5 5.34 1.89 REMARK 3 82 PHE HA 82 PHE 2HB 3.5 5.34 1.65 REMARK 3 82 PHE HD 39 VAL HA 5.0 6.28 4.11 REMARK 3 82 PHE HD 39 VAL MG1 4.0 6.28 -0.32 REMARK 3 82 PHE HD 39 VAL MG2 5.0 6.28 0.17 REMARK 3 82 PHE HD 41 PHE HA 5.0 6.28 4.68 REMARK 3 82 PHE HD 80 TYR 1HB 5.0 6.28 3.66 REMARK 3 82 PHE HD 80 TYR 2HB 5.0 6.28 3.05 REMARK 3 82 PHE HD 83 TYR HA 4.0 6.28 5.30 REMARK 3 82 PHE HD 94 GLY HA 5.0 6.28 2.99 REMARK 3 82 PHE HD 95 LYS HA 5.0 6.28 5.11 REMARK 3 82 PHE HD 96 VAL HB 5.0 6.28 1.31 REMARK 3 82 PHE HD 96 VAL MG1 3.5 6.28 0.95 REMARK 3 82 PHE HD 96 VAL MG2 5.0 6.28 0.60 REMARK 3 82 PHE HE 14 PHE 2HB 5.0 5.77 3.20 REMARK 3 82 PHE HE 39 VAL MG1 5.0 5.77 -0.32 REMARK 3 82 PHE HE 94 GLY HA 5.0 5.77 4.46 REMARK 3 82 PHE HE 94 GLY HA 5.0 5.77 2.99 REMARK 3 82 PHE HE 95 LYS HA 5.0 5.77 5.11 REMARK 3 82 PHE HE 96 VAL HA 5.0 5.77 4.91 REMARK 3 82 PHE HE 96 VAL HB 3.5 5.77 1.31 REMARK 3 82 PHE HE 96 VAL MG1 3.5 5.77 0.95 REMARK 3 82 PHE HE 96 VAL MG2 4.0 5.77 0.60 REMARK 3 82 PHE H 81 SER HA 2.4 8.10 5.28 REMARK 3 82 PHE H 82 PHE 1HB 5.0 8.10 1.89 REMARK 3 82 PHE H 82 PHE HD 5.0 8.10 6.28 REMARK 3 82 PHE H 95 LYS HA 4.3 8.10 5.11 REMARK 3 82 PHE HZ 3 VAL MG1 5.0 6.93 1.11 REMARK 3 82 PHE HZ 29 PHE HE 4.0 6.93 6.73 REMARK 3 82 PHE HZ 29 PHE HZ 5.0 6.93 5.90 REMARK 3 82 PHE HZ 94 GLY HA 4.0 6.93 2.99 REMARK 3 82 PHE HZ 96 VAL HB 5.0 6.93 1.31 REMARK 3 82 PHE HZ 96 VAL MG1 5.0 6.93 0.95 REMARK 3 83 TYR HA 83 TYR HB 3.5 5.30 3.29 REMARK 3 83 TYR HA 83 TYR HB 3.5 5.30 3.01 REMARK 3 83 TYR HA 93 VAL HA 2.7 5.30 5.18 REMARK 3 83 TYR HA 93 VAL HB 5.0 5.30 2.36 REMARK 3 83 TYR HA 93 VAL MG1 5.0 5.30 1.04 REMARK 3 83 TYR HA 93 VAL MG2 5.0 5.30 0.88 REMARK 3 83 TYR HB 93 VAL MG1 3.5 3.29 1.04 REMARK 3 83 TYR HB 93 VAL MG1 4.0 3.01 1.04 REMARK 3 83 TYR HD 40 VAL HB 5.0 6.69 0.92 REMARK 3 83 TYR HD 40 VAL MG1 5.0 6.69 0.82 REMARK 3 83 TYR HD 40 VAL MG2 5.0 6.69 0.68 REMARK 3 83 TYR HD 83 TYR HA 4.0 6.69 5.30 REMARK 3 83 TYR HD 85 SER HA 4.0 6.69 4.62 REMARK 3 83 TYR HD 85 SER HB 5.0 6.69 4.10 REMARK 3 83 TYR HD 88 GLN HA 5.0 6.69 3.94 REMARK 3 83 TYR HD 88 GLN HB 3.5 6.69 2.51 REMARK 3 83 TYR HD 88 GLN HB 4.0 6.69 2.16 REMARK 3 83 TYR HD 88 GLN HG 5.0 6.69 1.90 REMARK 3 83 TYR HE 40 VAL HB 4.0 6.49 0.92 REMARK 3 83 TYR HE 40 VAL MG1 4.0 6.49 0.82 REMARK 3 83 TYR HE 40 VAL MG2 4.0 6.49 0.68 REMARK 3 83 TYR HE 42 ASP 1HB 4.0 6.49 2.47 REMARK 3 83 TYR HE 42 ASP 2HB 5.0 6.49 2.97 REMARK 3 83 TYR HE 85 SER HA 4.0 6.49 4.62 REMARK 3 83 TYR HE 85 SER HB 5.0 6.49 4.24 REMARK 3 83 TYR HE 85 SER HB 5.0 6.49 4.10 REMARK 3 83 TYR H 39 VAL MG1 5.0 9.42 -0.32 REMARK 3 83 TYR H 40 VAL H 3.5 9.42 8.88 REMARK 3 83 TYR H 82 PHE HA 2.7 9.42 5.34 REMARK 3 83 TYR H 82 PHE 1HB 3.5 9.42 1.89 REMARK 3 83 TYR H 82 PHE 2HB 4.0 9.42 1.65 REMARK 3 83 TYR H 82 PHE HD 5.0 9.42 6.28 REMARK 3 83 TYR H 83 TYR HB 5.0 9.42 3.29 REMARK 3 83 TYR H 83 TYR HB 5.0 9.42 3.01 REMARK 3 83 TYR H 83 TYR HD 5.0 9.42 6.69 REMARK 3 84 CYS HA 39 VAL HA 4.0 5.33 4.11 REMARK 3 84 CYS HA 40 VAL MG2 5.0 5.33 0.68 REMARK 3 84 CYS HA 84 CYS 1HB 4.0 5.33 3.22 REMARK 3 84 CYS HA 84 CYS 2HB 4.0 5.33 2.92 REMARK 3 84 CYS HA 85 SER HA 4.3 5.33 4.62 REMARK 3 84 CYS 1HB 92 MET HG 5.0 3.22 2.23 REMARK 3 84 CYS 1HB 92 MET ME 4.0 3.22 0.54 REMARK 3 84 CYS 2HB 92 MET HB 5.0 2.92 2.31 REMARK 3 84 CYS 2HB 92 MET HG 5.0 2.92 2.23 REMARK 3 84 CYS H 14 PHE HD 5.0 7.82 7.16 REMARK 3 84 CYS H 14 PHE HE 4.0 7.82 7.06 REMARK 3 84 CYS H 83 TYR HA 3.0 7.82 5.30 REMARK 3 84 CYS H 83 TYR HB 4.0 7.82 3.29 REMARK 3 84 CYS H 83 TYR HB 3.5 7.82 3.01 REMARK 3 84 CYS H 83 TYR HD 5.0 7.82 6.69 REMARK 3 84 CYS H 84 CYS 1HB 4.0 7.82 3.22 REMARK 3 84 CYS H 84 CYS 2HB 4.0 7.82 2.92 REMARK 3 84 CYS H 92 MET HB 5.0 7.82 2.31 REMARK 3 85 SER HA 85 SER HB 4.0 4.62 4.24 REMARK 3 85 SER HA 85 SER HB 3.5 4.62 4.10 REMARK 3 85 SER HB 40 VAL MG2 3.5 4.10 0.68 REMARK 3 85 SER HB 86 PRO HD 4.0 4.10 3.28 REMARK 3 85 SER H 38 ASN 1HD2 5.0 9.58 5.73 REMARK 3 85 SER H 40 VAL MG2 5.0 9.58 0.68 REMARK 3 85 SER H 83 TYR HD 5.0 9.58 6.69 REMARK 3 85 SER H 84 CYS HA 2.7 9.58 5.33 REMARK 3 85 SER H 85 SER HB 4.0 9.58 4.24 REMARK 3 85 SER H 85 SER HB 4.0 9.58 4.10 REMARK 3 85 SER H 86 PRO HD 3.0 9.58 5.14 REMARK 3 86 PRO HD 85 SER HB 5.0 5.14 4.10 REMARK 3 87 HIS HA 12 LEU MD 5.0 5.17 0.56 REMARK 3 87 HIS HA 87 HIS 1HB 3.5 5.17 3.90 REMARK 3 87 HIS HA 87 HIS 2HB 4.0 5.17 3.45 REMARK 3 87 HIS HA 90 ALA MB 4.0 5.17 1.62 REMARK 3 87 HIS 1HB 84 CYS 2HB 5.0 3.90 2.92 REMARK 3 87 HIS 1HB 90 ALA MB 5.0 3.90 1.62 REMARK 3 87 HIS 1HB 92 MET HB 4.0 3.90 2.31 REMARK 3 87 HIS 1HB 92 MET HB 4.0 3.90 1.52 REMARK 3 87 HIS 2HB 12 LEU 2HB 5.0 3.45 1.00 REMARK 3 87 HIS 2HB 12 LEU MD 4.0 3.45 0.56 REMARK 3 87 HIS 2HB 90 ALA MB 4.0 3.45 1.62 REMARK 3 87 HIS 2HB 92 MET HB 5.0 3.45 2.31 REMARK 3 87 HIS 2HB 92 MET HB 4.0 3.45 1.52 REMARK 3 87 HIS HD2 86 PRO 1HB 5.0 7.00 1.06 REMARK 3 87 HIS HD2 90 ALA MB 4.0 7.00 1.62 REMARK 3 87 HIS HE1 12 LEU MD 5.0 7.77 0.56 REMARK 3 87 HIS HE1 12 LEU MD 4.0 7.77 0.35 REMARK 3 87 HIS HE1 37 HIS HA 5.0 7.77 5.93 REMARK 3 87 HIS HE1 37 HIS HE1 4.0 7.77 7.16 REMARK 3 87 HIS HE1 86 PRO 1HB 5.0 7.77 1.06 REMARK 3 87 HIS H 86 PRO 2HB 5.0 8.37 1.86 REMARK 3 87 HIS H 87 HIS 2HB 5.0 8.37 3.45 REMARK 3 88 GLN HA 88 GLN HB 3.0 3.94 2.51 REMARK 3 88 GLN HA 88 GLN HB 4.0 3.94 2.16 REMARK 3 88 GLN H 83 TYR HD 5.0 8.50 6.69 REMARK 3 88 GLN H 87 HIS H 3.5 8.50 8.37 REMARK 3 88 GLN H 88 GLN HB 3.0 8.50 2.51 REMARK 3 88 GLN H 88 GLN HB 3.5 8.50 2.16 REMARK 3 88 GLN 1HE2 88 GLN HG 4.0 6.17 2.08 REMARK 3 88 GLN 1HE2 88 GLN HG 5.0 6.17 1.90 REMARK 3 88 GLN 2HE2 83 TYR HE 5.0 6.79 6.49 REMARK 3 88 GLN 2HE2 88 GLN HG 5.0 6.79 2.08 REMARK 3 88 GLN 2HE2 88 GLN HG 5.0 6.79 1.90 REMARK 3 89 GLY H 88 GLN HB 5.0 9.08 2.51 REMARK 3 89 GLY H 88 GLN HB 4.0 9.08 2.16 REMARK 3 89 GLY H 88 GLN H 4.3 9.08 8.50 REMARK 3 89 GLY H 90 ALA H 3.5 9.08 7.59 REMARK 3 90 ALA H 87 HIS HA 4.3 7.59 5.17 REMARK 3 90 ALA H 89 GLY HA 4.3 7.59 3.92 REMARK 3 90 ALA H 89 GLY HA 4.3 7.59 3.82 REMARK 3 90 ALA H 90 ALA MB 3.5 7.59 1.62 REMARK 3 91 GLY H 90 ALA H 3.0 8.03 7.59 REMARK 3 91 GLY H 90 ALA MB 4.0 8.03 1.62 REMARK 3 91 GLY H 92 MET H 3.0 8.03 7.67 REMARK 3 92 MET H 88 GLN HA 3.5 7.67 3.94 REMARK 3 92 MET H 90 ALA MB 5.0 7.67 1.62 REMARK 3 92 MET H 91 GLY HA 4.3 7.67 3.82 REMARK 3 92 MET H 92 MET HB 5.0 7.67 2.31 REMARK 3 92 MET H 92 MET HB 4.0 7.67 1.52 REMARK 3 92 MET H 92 MET HG 5.0 7.67 2.23 REMARK 3 92 MET H 93 VAL MG1 4.0 7.67 1.04 REMARK 3 92 MET H 93 VAL MG2 5.0 7.67 0.88 REMARK 3 93 VAL HA 83 TYR HB 4.0 5.18 3.29 REMARK 3 93 VAL HA 83 TYR HB 4.0 5.18 3.01 REMARK 3 93 VAL HA 93 VAL MG1 3.5 5.18 1.04 REMARK 3 93 VAL HA 93 VAL MG2 4.0 5.18 0.88 REMARK 3 93 VAL H 93 VAL MG1 4.0 7.94 1.04 REMARK 3 93 VAL H 93 VAL MG2 3.5 7.94 0.88 REMARK 3 94 GLY HA 93 VAL MG2 5.0 4.46 0.88 REMARK 3 94 GLY H 14 PHE HE 5.0 8.38 7.06 REMARK 3 94 GLY H 82 PHE HD 5.0 8.38 6.28 REMARK 3 94 GLY H 82 PHE H 4.3 8.38 8.10 REMARK 3 94 GLY H 93 VAL HA 3.5 8.38 5.18 REMARK 3 94 GLY H 93 VAL HB 3.5 8.38 2.36 REMARK 3 94 GLY H 93 VAL MG1 4.0 8.38 1.04 REMARK 3 94 GLY H 93 VAL MG2 4.0 8.38 0.88 REMARK 3 95 LYS H 18 GLU HA 3.5 8.34 5.63 REMARK 3 95 LYS H 82 PHE HE 4.0 8.34 5.77 REMARK 3 95 LYS H 82 PHE HZ 5.0 8.34 6.93 REMARK 3 95 LYS H 94 GLY HA 3.5 8.34 4.46 REMARK 3 95 LYS H 94 GLY HA 3.0 8.34 2.99 REMARK 3 95 LYS H 95 LYS QHB 3.5 8.34 1.57 REMARK 3 95 LYS H 95 LYS QHG 5.0 8.34 1.32 REMARK 3 96 VAL HA 96 VAL MG2 3.5 4.91 0.60 REMARK 3 96 VAL H 79 THR MG 5.0 9.08 1.20 REMARK 3 96 VAL H 81 SER HA 4.3 9.08 5.28 REMARK 3 96 VAL H 82 PHE HD 5.0 9.08 6.28 REMARK 3 96 VAL H 82 PHE HE 5.0 9.08 5.77 REMARK 3 96 VAL H 95 LYS HA 2.7 9.08 5.11 REMARK 3 96 VAL H 95 LYS QHB 4.0 9.08 1.57 REMARK 3 96 VAL H 96 VAL MG1 3.0 9.08 0.95 REMARK 3 96 VAL H 96 VAL MG2 5.0 9.08 0.60 REMARK 3 97 THR HA 79 THR MG 4.0 4.92 1.20 REMARK 3 97 THR HA 97 THR HB 4.0 4.92 3.93 REMARK 3 97 THR HA 97 THR MG 3.5 4.92 1.08 REMARK 3 97 THR HA 98 VAL QMG 5.0 4.92 0.73|0.74 REMARK 3 97 THR H 20 SER HA 2.7 8.53 5.94 REMARK 3 97 THR H 96 VAL HA 2.7 8.53 4.91 REMARK 3 97 THR H 96 VAL HB 4.0 8.53 1.31 REMARK 3 97 THR H 96 VAL MG1 5.0 8.53 0.95 REMARK 3 97 THR H 96 VAL MG2 4.0 8.53 0.60 REMARK 3 97 THR H 97 THR HB 4.0 8.53 3.93 REMARK 3 98 VAL HA 21 VAL MG 5.0 5.04 0.98 REMARK 3 98 VAL HA 96 VAL MG2 5.0 5.04 0.60 REMARK 3 98 VAL HA 97 THR MG 5.0 5.04 1.08 REMARK 3 98 VAL HA 98 VAL QMG 3.5 5.04 0.73|0.74 REMARK 3 98 VAL H 77 LYS HA 4.3 9.42 4.02 REMARK 3 98 VAL H 78 GLY H 3.5 9.42 8.62 REMARK 3 98 VAL H 79 THR HA 4.3 9.42 5.30 REMARK 3 98 VAL H 80 TYR HD 5.0 9.42 7.11 REMARK 3 98 VAL H 80 TYR HE 5.0 9.42 6.55 REMARK 3 98 VAL H 97 THR HA 2.7 9.42 4.92 REMARK 3 98 VAL H 97 THR MG 4.0 9.42 1.08 REMARK 3 98 VAL H 98 VAL HB 3.5 9.42 2.42 REMARK 3 98 VAL H 98 VAL QMG 3.5 9.42 0.73|0.74 REMARK 3 99 ASN H 21 VAL H 4.3 9.01 8.86 REMARK 3 99 ASN H 22 PRO HA 4.3 9.01 4.87 REMARK 3 99 ASN H 23 SER H 4.3 9.01 8.56 REMARK 3 99 ASN H 98 VAL HA 2.7 9.01 5.04 REMARK 3 99 ASN H 98 VAL QMG 4.0 9.01 0.73|0.74 REMARK 3 99 ASN H 99 ASN HB 5.0 9.01 2.71 REMARK 3 99 ASN 1HD2 20 SER HB 5.0 6.55 3.75 REMARK 3 99 ASN 1HD2 97 THR MG 5.0 6.55 1.08 REMARK 3 99 ASN 1HD2 99 ASN HB 5.0 6.55 2.71 REMARK 3 99 ASN 1HD2 99 ASN HB 5.0 6.55 2.59 REMARK 3 99 ASN 2HD2 20 SER HB 5.0 7.29 3.75 REMARK 3 99 ASN 2HD2 99 ASN HB 5.0 7.29 2.71 REMARK 3 99 ASN 2HD2 99 ASN HB 5.0 7.29 2.59