NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
650834 |
6scw   |
34420 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# Restraints file 1: upper_distance_restraints_NOE_SH3.upl 2 ASP H 1 MET HA 3.54 # rEff= 2.95 uni-biDir = 1 Ass-Norm = 2 H 2 ASP H 2 ASP HB2 4.43 # rEff= 3.69 uni-biDir = 1 Ass-Norm = 2 H 2 ASP H 3 GLU HB3 5.46 # rEff= 4.55 uni-biDir = 1 Ass-Norm = 2 H 3 GLU H 2 ASP HB3 5.13 # rEff= 4.28 uni-biDir = 1 Ass-Norm = 3 H 3 GLU H 3 GLU HA 4.26 # rEff= 3.55 uni-biDir = 1 Ass-Norm = 3 H 3 GLU H 3 GLU HB2 4.20 # rEff= 3.50 uni-biDir = 1 Ass-Norm = 3 H 3 GLU H 3 GLU HB3 4.86 # rEff= 4.05 uni-biDir = 1 Ass-Norm = 3 H 3 GLU H 3 GLU HG2 4.68 # rEff= 3.90 uni-biDir = 1 Ass-Norm = 3 H 5 GLY H 4 THR HA 3.45 # rEff= 2.87 uni-biDir = 1 Ass-Norm = 5 H 5 GLY H 5 GLY HA2 3.38 # rEff= 2.81 uni-biDir = 1 Ass-Norm = 5 H 5 GLY H 6 LYS H 3.24 # rEff= 3.24 uni-biDir = 2 Ass-Norm = 5 H 6 LYS H 5 GLY HA2 3.60 # rEff= 3.00 uni-biDir = 1 Ass-Norm = 6 H 6 LYS H 6 LYS HA 3.78 # rEff= 3.15 uni-biDir = 1 Ass-Norm = 6 H 6 LYS H 6 LYS HG3 4.30 # rEff= 3.58 uni-biDir = 1 Ass-Norm = 6 H 6 LYS H 6 LYS HD3 4.05 # rEff= 3.37 uni-biDir = 1 Ass-Norm = 6 H 6 LYS H 7 GLU H 4.43 # rEff= 3.69 uni-biDir = 1 Ass-Norm = 6 H 8 LEU H 7 GLU HA 2.63 # rEff= 2.19 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 7 GLU HB3 4.12 # rEff= 3.43 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 7 GLU HG2 4.53 # rEff= 3.78 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 7 GLU HG3 4.76 # rEff= 3.97 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 8 LEU HA 3.60 # rEff= 3.00 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 8 LEU HB2 3.90 # rEff= 3.25 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 8 LEU HB3 3.38 # rEff= 2.57 uni-biDir = 1 Ass-Norm = 8 H 8 LEU H 8 LEU QD1 4.58 # rEff= 4.23 uni-biDir = 1 Ass-Norm = 8 H 9 VAL H 8 LEU H 5.37 # rEff= 4.48 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 8 LEU HA 2.60 # rEff= 2.17 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 8 LEU QD1 3.37 # rEff= 3.11 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 9 VAL HA 3.49 # rEff= 2.91 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 9 VAL HB 4.57 # rEff= 3.81 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 9 VAL QG1 3.99 # rEff= 3.68 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 30 ILE HA 4.64 # rEff= 3.87 uni-biDir = 1 Ass-Norm = 9 H 9 VAL H 32 THR HA 4.54 # rEff= 3.66 uni-biDir = 1 Ass-Norm = 9 H 10 LEU H 9 VAL HA 2.66 # rEff= 2.22 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 9 VAL HB 3.01 # rEff= 2.51 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 9 VAL QG1 4.78 # rEff= 4.41 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 10 LEU HA 3.48 # rEff= 2.90 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 10 LEU HB2 3.18 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 10 LEU HB3 3.90 # rEff= 2.42 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 60 LYS HA 4.48 # rEff= 3.73 uni-biDir = 1 Ass-Norm = 10 H 10 LEU H 60 LYS HB2 5.32 # rEff= 3.68 uni-biDir = 1 Ass-Norm = 10 H 11 ALA H 10 LEU HA 2.60 # rEff= 2.17 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 10 LEU HB2 4.79 # rEff= 3.99 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 10 LEU QD1 3.30 # rEff= 3.04 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 11 ALA HA 3.46 # rEff= 2.88 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 11 ALA QB 2.93 # rEff= 2.70 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 29 ASP HB3 4.97 # rEff= 4.14 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 30 ILE HA 4.01 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 11 H 11 ALA H 31 LEU HG 5.00 # rEff= 3.44 uni-biDir = 1 Ass-Norm = 11 H 12 LEU H 11 ALA HA 2.46 # rEff= 2.05 uni-biDir = 1 Ass-Norm = 12 H 12 LEU H 11 ALA QB 4.07 # rEff= 3.75 uni-biDir = 1 Ass-Norm = 12 H 12 LEU H 12 LEU HA 3.34 # rEff= 2.78 uni-biDir = 1 Ass-Norm = 12 H 12 LEU H 12 LEU HB2 3.27 # rEff= 2.72 uni-biDir = 1 Ass-Norm = 12 H 12 LEU H 12 LEU HB3 3.17 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 12 H 12 LEU H 13 TYR H 2.42 # rEff= 2.42 uni-biDir = 2 Ass-Norm = 12 H 12 LEU H 58 VAL HA 2.99 # rEff= 2.49 uni-biDir = 1 Ass-Norm = 12 H 13 TYR H 11 ALA QB 3.79 # rEff= 3.49 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 12 LEU HA 3.88 # rEff= 3.24 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 12 LEU HB3 3.86 # rEff= 3.21 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 13 TYR HA 3.19 # rEff= 2.66 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 13 TYR HB2 3.61 # rEff= 3.01 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 13 TYR HB3 4.18 # rEff= 3.48 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 13 TYR QE 8.00 # rEff= 3.67 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 25 MET QE 4.41 # rEff= 4.06 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 27 LYS HA 3.99 # rEff= 3.33 uni-biDir = 1 Ass-Norm = 13 H 13 TYR H 57 TYR HB3 4.47 # rEff= 3.73 uni-biDir = 1 Ass-Norm = 13 H 14 ASP H 13 TYR HB2 3.96 # rEff= 3.30 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 13 TYR HB3 4.40 # rEff= 2.83 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 14 ASP HA 2.70 # rEff= 2.25 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 14 ASP HB2 3.20 # rEff= 2.67 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 14 ASP HB3 3.83 # rEff= 3.19 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 27 LYS H 3.52 # rEff= 3.52 uni-biDir = 2 Ass-Norm = 14 H 14 ASP H 27 LYS HA 5.27 # rEff= 4.40 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 27 LYS HB2 3.71 # rEff= 3.09 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 27 LYS HB3 4.06 # rEff= 3.39 uni-biDir = 1 Ass-Norm = 14 H 14 ASP H 27 LYS HG2 5.05 # rEff= 4.21 uni-biDir = 1 Ass-Norm = 14 H 15 TYR H 11 ALA QB 5.04 # rEff= 4.65 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 15 TYR HB2 3.20 # rEff= 2.67 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 15 TYR HB3 3.91 # rEff= 3.26 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 24 THR QG2 4.77 # rEff= 4.40 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 25 MET H 3.28 # rEff= 2.88 uni-biDir = 2 Ass-Norm = 15 H 15 TYR H 25 MET HB2 5.36 # rEff= 3.63 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 25 MET HG3 4.15 # rEff= 3.46 uni-biDir = 1 Ass-Norm = 15 H 15 TYR H 26 LYS HA 4.18 # rEff= 3.49 uni-biDir = 1 Ass-Norm = 15 H 16 GLN H 15 TYR HA 2.68 # rEff= 2.24 uni-biDir = 1 Ass-Norm = 16 H 16 GLN H 15 TYR HB2 4.97 # rEff= 4.14 uni-biDir = 1 Ass-Norm = 16 H 16 GLN H 15 TYR HB3 4.74 # rEff= 3.95 uni-biDir = 1 Ass-Norm = 16 H 16 GLN H 16 GLN HA 3.41 # rEff= 2.84 uni-biDir = 1 Ass-Norm = 16 H 16 GLN H 16 GLN HB2 2.95 # rEff= 2.46 uni-biDir = 1 Ass-Norm = 16 H 16 GLN H 16 GLN HG2 4.79 # rEff= 3.99 uni-biDir = 1 Ass-Norm = 16 H 16 GLN HE21 16 GLN HE22 2.20 # rEff= 1.95 uni-biDir = 2 Ass-Norm = 16 HE21 16 GLN HE22 16 GLN HG2 5.03 # rEff= 4.19 uni-biDir = 1 Ass-Norm = 16 HE22 19 SER H 18 LYS H 3.09 # rEff= 2.58 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 18 LYS HA 3.79 # rEff= 3.16 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 18 LYS HD3 5.53 # rEff= 4.60 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 19 SER HA 3.52 # rEff= 2.93 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 19 SER HB2 4.02 # rEff= 3.35 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 19 SER HB3 3.98 # rEff= 3.32 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 22 GLU HB3 3.94 # rEff= 2.87 uni-biDir = 1 Ass-Norm = 19 H 19 SER H 22 GLU HG2 4.79 # rEff= 3.82 uni-biDir = 1 Ass-Norm = 19 H 21 ARG H 19 SER HB2 4.52 # rEff= 3.77 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 20 PRO HB3 4.90 # rEff= 4.08 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 20 PRO HD2 4.14 # rEff= 3.45 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 21 ARG HA 3.41 # rEff= 2.84 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 21 ARG HB2 3.73 # rEff= 3.11 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 21 ARG HG2 4.04 # rEff= 3.37 uni-biDir = 1 Ass-Norm = 21 H 21 ARG H 22 GLU HB3 5.94 # rEff= 4.95 uni-biDir = 1 Ass-Norm = 21 H 22 GLU H 15 TYR QE 8.00 # rEff= 4.87 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 19 SER HB3 5.15 # rEff= 4.29 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 20 PRO HA 3.70 # rEff= 3.08 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 20 PRO HB2 4.88 # rEff= 3.65 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 20 PRO HB3 5.30 # rEff= 3.58 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 22 GLU HA 3.49 # rEff= 2.91 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 22 GLU HB2 3.50 # rEff= 2.92 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 22 GLU HB3 3.75 # rEff= 2.71 uni-biDir = 1 Ass-Norm = 22 H 22 GLU H 22 GLU HG2 4.12 # rEff= 3.43 uni-biDir = 1 Ass-Norm = 22 H 23 VAL H 17 GLU HA 5.42 # rEff= 4.31 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 22 GLU HA 2.90 # rEff= 2.42 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 22 GLU HB3 3.84 # rEff= 3.20 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 22 GLU HG2 3.59 # rEff= 2.99 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 23 VAL HA 3.48 # rEff= 2.90 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 23 VAL HB 3.89 # rEff= 3.24 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 23 VAL QG1 3.97 # rEff= 3.20 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 46 VAL QG2 4.97 # rEff= 4.13 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 51 GLY HA3 5.03 # rEff= 4.19 uni-biDir = 1 Ass-Norm = 23 H 23 VAL H 52 PHE H 4.74 # rEff= 3.74 uni-biDir = 2 Ass-Norm = 23 H 24 THR H 24 THR HA 3.46 # rEff= 2.88 uni-biDir = 1 Ass-Norm = 24 H 24 THR H 24 THR HB 2.67 # rEff= 2.22 uni-biDir = 1 Ass-Norm = 24 H 25 MET H 15 TYR HB2 3.99 # rEff= 3.33 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 16 GLN HA 4.41 # rEff= 3.67 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 17 GLU H 5.21 # rEff= 4.34 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 24 THR HA 2.52 # rEff= 2.10 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 24 THR QG2 3.22 # rEff= 2.97 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 25 MET HA 3.29 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 25 MET HB2 4.23 # rEff= 3.52 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 25 MET HB3 3.59 # rEff= 2.99 uni-biDir = 1 Ass-Norm = 25 H 25 MET H 25 MET HG3 4.03 # rEff= 3.35 uni-biDir = 1 Ass-Norm = 25 H 26 LYS H 26 LYS HA 2.96 # rEff= 2.21 uni-biDir = 1 Ass-Norm = 26 H 26 LYS H 26 LYS HB2 3.17 # rEff= 2.64 uni-biDir = 1 Ass-Norm = 26 H 26 LYS H 26 LYS HG2 4.15 # rEff= 3.46 uni-biDir = 1 Ass-Norm = 26 H 27 LYS H 27 LYS HA 3.29 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 27 H 28 GLY H 11 ALA QB 3.33 # rEff= 3.07 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 27 LYS HA 2.53 # rEff= 2.10 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 27 LYS HB2 4.92 # rEff= 4.10 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 27 LYS HG2 3.71 # rEff= 3.09 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 28 GLY HA2 3.00 # rEff= 2.50 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 28 GLY HA3 3.47 # rEff= 2.89 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 29 ASP H 3.13 # rEff= 2.61 uni-biDir = 1 Ass-Norm = 28 H 28 GLY H 61 LEU QD1 5.57 # rEff= 4.22 uni-biDir = 1 Ass-Norm = 28 H 29 ASP H 29 ASP HB2 3.75 # rEff= 3.12 uni-biDir = 1 Ass-Norm = 29 H 31 LEU H 31 LEU HA 2.98 # rEff= 2.07 uni-biDir = 1 Ass-Norm = 31 H 31 LEU H 31 LEU HB2 3.45 # rEff= 2.88 uni-biDir = 1 Ass-Norm = 31 H 31 LEU H 31 LEU HB3 3.62 # rEff= 3.02 uni-biDir = 1 Ass-Norm = 31 H 32 THR H 31 LEU HA 2.74 # rEff= 2.28 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 31 LEU HB2 4.06 # rEff= 3.38 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 31 LEU HB3 3.46 # rEff= 2.88 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 32 THR HA 3.48 # rEff= 2.90 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 32 THR HB 2.89 # rEff= 2.41 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 44 VAL HB 4.02 # rEff= 3.35 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 44 VAL QG1 4.82 # rEff= 4.44 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 44 VAL QG2 4.79 # rEff= 4.42 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 45 GLU H 3.49 # rEff= 2.91 uni-biDir = 1 Ass-Norm = 32 H 32 THR H 45 GLU HB3 4.67 # rEff= 3.89 uni-biDir = 1 Ass-Norm = 32 H 33 LEU H 8 LEU HA 3.44 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 32 THR HA 2.55 # rEff= 2.12 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 32 THR HB 4.68 # rEff= 3.90 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 33 LEU HA 3.43 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 33 LEU HB2 4.26 # rEff= 3.55 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 33 LEU HB3 3.64 # rEff= 2.53 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 33 LEU HG 3.82 # rEff= 2.35 uni-biDir = 1 Ass-Norm = 33 H 33 LEU H 44 VAL QG1 4.26 # rEff= 3.92 uni-biDir = 1 Ass-Norm = 33 H 34 LEU H 33 LEU HA 2.59 # rEff= 2.15 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 33 LEU QD1 3.75 # rEff= 3.27 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 34 LEU HA 3.34 # rEff= 2.79 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 34 LEU HB2 3.15 # rEff= 2.62 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 34 LEU HB3 3.68 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 35 ASN H 2.35 # rEff= 2.35 uni-biDir = 2 Ass-Norm = 34 H 34 LEU H 44 VAL HA 2.93 # rEff= 2.44 uni-biDir = 1 Ass-Norm = 34 H 34 LEU H 44 VAL QG2 4.84 # rEff= 4.00 uni-biDir = 1 Ass-Norm = 34 H 35 ASN H 33 LEU QD1 3.73 # rEff= 3.44 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 34 LEU HB2 3.40 # rEff= 2.83 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 35 ASN HA 3.53 # rEff= 2.94 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 35 ASN HB2 4.01 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 35 ASN HB3 3.83 # rEff= 3.19 uni-biDir = 1 Ass-Norm = 35 H 35 ASN HD21 35 ASN HB2 4.44 # rEff= 3.70 uni-biDir = 1 Ass-Norm = 35 HD21 35 ASN HD21 35 ASN HD22 1.81 # rEff= 1.81 uni-biDir = 2 Ass-Norm = 35 HD21 35 ASN HD22 35 ASN HB2 3.81 # rEff= 3.18 uni-biDir = 1 Ass-Norm = 35 HD22 35 ASN HD22 35 ASN HB3 4.52 # rEff= 3.77 uni-biDir = 1 Ass-Norm = 35 HD22 35 ASN H 43 LYS HB3 3.52 # rEff= 2.93 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 43 LYS HG2 5.24 # rEff= 4.37 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 44 VAL HA 5.24 # rEff= 4.36 uni-biDir = 1 Ass-Norm = 35 H 35 ASN H 44 VAL QG2 5.96 # rEff= 5.12 uni-biDir = 1 Ass-Norm = 35 H 36 SER H 33 LEU QD1 4.92 # rEff= 4.54 uni-biDir = 1 Ass-Norm = 36 H 36 SER H 35 ASN HA 3.57 # rEff= 2.14 uni-biDir = 1 Ass-Norm = 36 H 36 SER H 36 SER HA 3.39 # rEff= 2.82 uni-biDir = 1 Ass-Norm = 36 H 36 SER H 36 SER HB2 3.77 # rEff= 3.14 uni-biDir = 1 Ass-Norm = 36 H 36 SER H 36 SER HB3 4.09 # rEff= 3.20 uni-biDir = 1 Ass-Norm = 36 H 36 SER H 37 THR H 2.53 # rEff= 2.53 uni-biDir = 2 Ass-Norm = 36 H 37 THR H 35 ASN HD21 4.83 # rEff= 4.03 uni-biDir = 1 Ass-Norm = 37 H 37 THR H 37 THR HA 3.14 # rEff= 2.62 uni-biDir = 1 Ass-Norm = 37 H 37 THR H 37 THR HB 3.37 # rEff= 2.81 uni-biDir = 1 Ass-Norm = 37 H 37 THR H 38 ASN H 3.24 # rEff= 2.70 uni-biDir = 1 Ass-Norm = 37 H 38 ASN H 36 SER HA 4.10 # rEff= 2.99 uni-biDir = 1 Ass-Norm = 38 H 38 ASN H 37 THR HB 4.06 # rEff= 3.38 uni-biDir = 1 Ass-Norm = 38 H 38 ASN H 38 ASN HA 3.46 # rEff= 2.88 uni-biDir = 1 Ass-Norm = 38 H 38 ASN H 38 ASN HB2 3.20 # rEff= 2.67 uni-biDir = 1 Ass-Norm = 38 H 38 ASN H 38 ASN HB3 3.11 # rEff= 2.59 uni-biDir = 1 Ass-Norm = 38 H 38 ASN HD22 38 ASN HB2 3.66 # rEff= 3.05 uni-biDir = 1 Ass-Norm = 38 HD22 38 ASN HD22 38 ASN HB3 4.36 # rEff= 3.63 uni-biDir = 1 Ass-Norm = 38 HD22 38 ASN H 52 PHE QE 8.00 # rEff= 5.40 uni-biDir = 1 Ass-Norm = 38 H 39 LYS H 38 ASN HA 2.97 # rEff= 2.48 uni-biDir = 1 Ass-Norm = 39 H 39 LYS H 38 ASN HB3 5.13 # rEff= 4.27 uni-biDir = 1 Ass-Norm = 39 H 39 LYS H 39 LYS HA 3.62 # rEff= 3.02 uni-biDir = 1 Ass-Norm = 39 H 39 LYS H 39 LYS HB2 3.89 # rEff= 3.24 uni-biDir = 1 Ass-Norm = 39 H 39 LYS H 39 LYS HG2 4.64 # rEff= 3.87 uni-biDir = 1 Ass-Norm = 39 H 39 LYS H 40 ASP H 2.94 # rEff= 2.94 uni-biDir = 2 Ass-Norm = 39 H 40 ASP H 38 ASN HA 5.21 # rEff= 4.34 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 38 ASN HB3 4.99 # rEff= 4.16 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 39 LYS HB2 4.49 # rEff= 3.74 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 39 LYS HG2 4.36 # rEff= 3.64 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 40 ASP HA 3.68 # rEff= 3.07 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 40 ASP HB2 4.18 # rEff= 3.48 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 40 ASP HB3 3.43 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 40 H 40 ASP H 55 ALA QB 5.27 # rEff= 4.86 uni-biDir = 1 Ass-Norm = 40 H 41 TRP H 40 ASP HA 4.21 # rEff= 3.50 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 40 ASP HB2 4.31 # rEff= 3.59 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 40 ASP HB3 3.75 # rEff= 3.12 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 41 TRP HA 3.58 # rEff= 2.98 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 41 TRP HB2 3.64 # rEff= 2.79 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 41 TRP HD1 3.58 # rEff= 3.12 uni-biDir = 1 Ass-Norm = 41 H 41 TRP HE1 41 TRP HZ2 3.38 # rEff= 2.81 uni-biDir = 1 Ass-Norm = 41 HE1 41 TRP HE1 41 TRP HD1 2.97 # rEff= 2.47 uni-biDir = 1 Ass-Norm = 41 HE1 41 TRP H 55 ALA H 4.89 # rEff= 3.49 uni-biDir = 1 Ass-Norm = 41 H 41 TRP H 55 ALA QB 4.50 # rEff= 4.15 uni-biDir = 1 Ass-Norm = 41 H 42 TRP H 33 LEU QD1 4.77 # rEff= 3.94 uni-biDir = 1 Ass-Norm = 42 H 42 TRP HE1 36 SER HA 4.45 # rEff= 3.29 uni-biDir = 1 Ass-Norm = 42 HE1 42 TRP HE1 36 SER HB3 4.90 # rEff= 3.17 uni-biDir = 1 Ass-Norm = 42 HE1 42 TRP HE1 39 LYS HA 3.88 # rEff= 2.81 uni-biDir = 1 Ass-Norm = 42 HE1 42 TRP H 41 TRP HA 2.55 # rEff= 2.12 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 41 TRP HE3 3.98 # rEff= 3.25 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 42 TRP HA 3.44 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 42 TRP HB3 3.49 # rEff= 2.91 uni-biDir = 1 Ass-Norm = 42 H 42 TRP HE1 42 TRP HA 5.46 # rEff= 4.55 uni-biDir = 1 Ass-Norm = 42 HE1 42 TRP HE1 42 TRP HH2 6.50 # rEff= 2.54 uni-biDir = 1 Ass-Norm = 42 HE1 42 TRP H 53 VAL H 3.51 # rEff= 2.68 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 54 PRO HA 4.38 # rEff= 3.65 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 55 ALA H 3.49 # rEff= 3.49 uni-biDir = 2 Ass-Norm = 42 H 42 TRP H 55 ALA HA 4.61 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 42 H 42 TRP H 55 ALA QB 4.43 # rEff= 4.08 uni-biDir = 1 Ass-Norm = 42 H 42 TRP HE1 55 ALA QB 4.04 # rEff= 3.27 uni-biDir = 1 Ass-Norm = 42 HE1 43 LYS H 33 LEU QD1 4.47 # rEff= 3.85 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 34 LEU QD1 5.81 # rEff= 5.36 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 35 ASN H 3.38 # rEff= 2.82 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 35 ASN HB3 4.01 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 41 TRP HB2 5.42 # rEff= 3.43 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 42 TRP HA 2.63 # rEff= 2.19 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 42 TRP HB3 4.02 # rEff= 3.10 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 43 LYS HA 3.47 # rEff= 2.89 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 43 LYS HB2 3.18 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 43 LYS HB3 3.16 # rEff= 2.63 uni-biDir = 1 Ass-Norm = 43 H 43 LYS H 44 VAL QG2 5.78 # rEff= 4.41 uni-biDir = 1 Ass-Norm = 43 H 44 VAL H 34 LEU QD1 4.24 # rEff= 3.91 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 43 LYS HA 2.60 # rEff= 2.17 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 43 LYS HB2 4.27 # rEff= 3.56 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 43 LYS HG2 3.64 # rEff= 3.03 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 44 VAL HA 3.42 # rEff= 2.85 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 44 VAL HB 4.53 # rEff= 3.77 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 44 VAL QG1 3.37 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 44 H 44 VAL H 51 GLY H 2.83 # rEff= 2.83 uni-biDir = 2 Ass-Norm = 44 H 44 VAL H 52 PHE HA 4.41 # rEff= 3.35 uni-biDir = 1 Ass-Norm = 44 H 45 GLU H 32 THR HB 3.66 # rEff= 3.05 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 33 LEU HA 4.97 # rEff= 4.14 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 34 LEU HG 4.07 # rEff= 3.31 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 44 VAL HB 2.82 # rEff= 2.35 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 44 VAL QG1 4.31 # rEff= 3.97 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 45 GLU HA 2.76 # rEff= 2.30 uni-biDir = 1 Ass-Norm = 45 H 45 GLU H 45 GLU HB2 3.39 # rEff= 2.82 uni-biDir = 1 Ass-Norm = 45 H 46 VAL H 23 VAL HB 6.30 # rEff= 4.62 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 23 VAL QG2 4.74 # rEff= 4.37 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 45 GLU HA 2.57 # rEff= 2.15 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 45 GLU HG3 3.70 # rEff= 3.08 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 45 GLU QG 3.69 # rEff= 3.29 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 46 VAL HA 3.37 # rEff= 2.80 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 46 VAL HB 3.81 # rEff= 3.17 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 46 VAL QG1 3.60 # rEff= 3.32 uni-biDir = 1 Ass-Norm = 46 H 46 VAL H 49 ARG H 3.15 # rEff= 3.15 uni-biDir = 2 Ass-Norm = 46 H 46 VAL H 49 ARG HB2 4.78 # rEff= 3.40 uni-biDir = 1 Ass-Norm = 46 H 47 ASN H 46 VAL HA 2.63 # rEff= 2.19 uni-biDir = 1 Ass-Norm = 47 H 47 ASN H 46 VAL HB 4.50 # rEff= 3.75 uni-biDir = 1 Ass-Norm = 47 H 47 ASN H 46 VAL QG2 4.14 # rEff= 3.82 uni-biDir = 1 Ass-Norm = 47 H 47 ASN HD22 46 VAL QG1 5.93 # rEff= 5.47 uni-biDir = 1 Ass-Norm = 47 HD22 47 ASN H 47 ASN HA 2.69 # rEff= 2.24 uni-biDir = 1 Ass-Norm = 47 H 47 ASN H 47 ASN HB2 4.24 # rEff= 3.54 uni-biDir = 1 Ass-Norm = 47 H 47 ASN H 47 ASN HB3 4.52 # rEff= 3.77 uni-biDir = 1 Ass-Norm = 47 H 47 ASN HD21 47 ASN HB2 5.19 # rEff= 4.32 uni-biDir = 1 Ass-Norm = 47 HD21 47 ASN HD21 47 ASN HB3 5.78 # rEff= 4.82 uni-biDir = 1 Ass-Norm = 47 HD21 47 ASN HD21 47 ASN HD22 1.91 # rEff= 1.91 uni-biDir = 2 Ass-Norm = 47 HD21 47 ASN HD22 47 ASN HB2 4.27 # rEff= 3.55 uni-biDir = 1 Ass-Norm = 47 HD22 47 ASN HD22 47 ASN HB3 5.31 # rEff= 4.42 uni-biDir = 1 Ass-Norm = 47 HD22 47 ASN H 48 ASP H 4.02 # rEff= 3.22 uni-biDir = 2 Ass-Norm = 47 H 48 ASP H 45 GLU HG3 4.91 # rEff= 3.84 uni-biDir = 1 Ass-Norm = 48 H 48 ASP H 46 VAL QG1 6.20 # rEff= 5.72 uni-biDir = 1 Ass-Norm = 48 H 48 ASP H 47 ASN HA 3.48 # rEff= 2.90 uni-biDir = 1 Ass-Norm = 48 H 48 ASP H 47 ASN HB2 4.24 # rEff= 3.03 uni-biDir = 1 Ass-Norm = 48 H 48 ASP H 48 ASP HA 2.88 # rEff= 2.40 uni-biDir = 1 Ass-Norm = 48 H 48 ASP H 49 ARG H 3.25 # rEff= 2.71 uni-biDir = 1 Ass-Norm = 48 H 49 ARG H 45 GLU HA 5.88 # rEff= 4.90 uni-biDir = 1 Ass-Norm = 49 H 49 ARG H 46 VAL QG1 5.70 # rEff= 5.26 uni-biDir = 1 Ass-Norm = 49 H 49 ARG H 47 ASN HB3 5.79 # rEff= 4.82 uni-biDir = 1 Ass-Norm = 49 H 49 ARG H 49 ARG HB2 3.43 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 49 H 49 ARG H 49 ARG HG2 4.14 # rEff= 3.45 uni-biDir = 1 Ass-Norm = 49 H 50 GLN HE21 1 MET HB2 4.58 # rEff= 3.82 uni-biDir = 1 Ass-Norm = 50 HE21 50 GLN HE22 1 MET HB2 4.10 # rEff= 3.41 uni-biDir = 1 Ass-Norm = 50 HE22 50 GLN H 23 VAL QG2 5.74 # rEff= 4.83 uni-biDir = 1 Ass-Norm = 50 H 50 GLN HE21 23 VAL QG2 6.00 # rEff= 4.75 uni-biDir = 1 Ass-Norm = 50 HE21 50 GLN HE22 23 VAL QG2 6.03 # rEff= 4.82 uni-biDir = 1 Ass-Norm = 50 HE22 50 GLN H 49 ARG HG2 4.65 # rEff= 3.75 uni-biDir = 1 Ass-Norm = 50 H 50 GLN H 49 ARG HD2 5.81 # rEff= 4.84 uni-biDir = 1 Ass-Norm = 50 H 50 GLN H 50 GLN HA 3.57 # rEff= 2.98 uni-biDir = 1 Ass-Norm = 50 H 50 GLN H 50 GLN HB3 3.28 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 50 H 50 GLN HE21 50 GLN HG3 4.67 # rEff= 3.89 uni-biDir = 1 Ass-Norm = 50 HE21 50 GLN HE21 50 GLN HE22 1.80 # rEff= 1.80 uni-biDir = 2 Ass-Norm = 50 HE21 50 GLN HE22 50 GLN HG3 4.22 # rEff= 3.51 uni-biDir = 1 Ass-Norm = 50 HE22 51 GLY H 23 VAL QG2 3.77 # rEff= 3.48 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 34 LEU QD1 5.02 # rEff= 4.63 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 43 LYS HG2 4.14 # rEff= 3.45 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 44 VAL HA 4.92 # rEff= 3.27 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 44 VAL HB 5.67 # rEff= 4.06 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 50 GLN HA 2.66 # rEff= 2.21 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 50 GLN HB3 4.11 # rEff= 3.43 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 50 GLN HG3 5.84 # rEff= 4.87 uni-biDir = 1 Ass-Norm = 51 H 51 GLY H 51 GLY HA2 3.24 # rEff= 2.70 uni-biDir = 1 Ass-Norm = 51 H 52 PHE H 22 GLU HA 2.61 # rEff= 2.18 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 23 VAL QG1 5.16 # rEff= 4.30 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 51 GLY HA2 3.54 # rEff= 2.37 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 52 PHE HA 3.47 # rEff= 2.89 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 52 PHE HB2 3.21 # rEff= 2.68 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 52 PHE HB3 3.95 # rEff= 3.29 uni-biDir = 1 Ass-Norm = 52 H 52 PHE H 52 PHE QD 8.00 # rEff= 3.26 uni-biDir = 1 Ass-Norm = 52 H 53 VAL H 23 VAL H 5.28 # rEff= 4.40 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 23 VAL HB 5.22 # rEff= 3.93 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 23 VAL QG2 3.88 # rEff= 3.11 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 41 TRP HE3 3.44 # rEff= 3.22 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 42 TRP HB2 4.86 # rEff= 4.05 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 42 TRP HB3 5.31 # rEff= 3.93 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 43 LYS HA 4.47 # rEff= 3.72 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 43 LYS HB2 4.90 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 52 PHE HA 2.59 # rEff= 2.16 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 52 PHE HB2 4.46 # rEff= 3.71 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 52 PHE HB3 3.78 # rEff= 3.15 uni-biDir = 1 Ass-Norm = 53 H 53 VAL H 53 VAL HA 3.48 # rEff= 2.90 uni-biDir = 1 Ass-Norm = 53 H 55 ALA H 40 ASP HA 4.40 # rEff= 3.46 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 41 TRP HA 3.28 # rEff= 2.73 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 54 PRO HA 2.58 # rEff= 2.15 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 54 PRO HB2 4.81 # rEff= 4.00 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 54 PRO HB3 4.53 # rEff= 3.78 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 55 ALA HA 3.19 # rEff= 2.66 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 55 ALA QB 2.83 # rEff= 2.61 uni-biDir = 1 Ass-Norm = 55 H 55 ALA H 56 ALA H 3.29 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 55 H 56 ALA H 54 PRO HA 4.84 # rEff= 4.03 uni-biDir = 1 Ass-Norm = 56 H 56 ALA H 54 PRO HB2 4.41 # rEff= 3.67 uni-biDir = 1 Ass-Norm = 56 H 56 ALA H 55 ALA HA 4.16 # rEff= 3.47 uni-biDir = 1 Ass-Norm = 56 H 56 ALA H 55 ALA QB 3.58 # rEff= 3.30 uni-biDir = 1 Ass-Norm = 56 H 56 ALA H 56 ALA HA 3.44 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 56 H 56 ALA H 56 ALA QB 3.02 # rEff= 2.78 uni-biDir = 1 Ass-Norm = 56 H 57 TYR H 25 MET QE 5.19 # rEff= 4.79 uni-biDir = 1 Ass-Norm = 57 H 57 TYR H 55 ALA HA 4.07 # rEff= 3.39 uni-biDir = 1 Ass-Norm = 57 H 57 TYR H 56 ALA HA 3.89 # rEff= 3.24 uni-biDir = 1 Ass-Norm = 57 H 57 TYR H 57 TYR HB2 3.24 # rEff= 2.70 uni-biDir = 1 Ass-Norm = 57 H 57 TYR H 57 TYR HB3 3.87 # rEff= 3.22 uni-biDir = 1 Ass-Norm = 57 H 57 TYR H 57 TYR QD 8.00 # rEff= 3.79 uni-biDir = 1 Ass-Norm = 57 H 58 VAL H 55 ALA HA 4.46 # rEff= 3.72 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 56 ALA HA 4.13 # rEff= 3.44 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 57 TYR H 3.03 # rEff= 2.52 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 57 TYR HA 4.00 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 57 TYR HB2 4.79 # rEff= 3.99 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 58 VAL HA 3.43 # rEff= 2.86 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 58 VAL HB 4.20 # rEff= 3.50 uni-biDir = 1 Ass-Norm = 58 H 58 VAL H 58 VAL QG1 3.23 # rEff= 2.98 uni-biDir = 1 Ass-Norm = 58 H 59 LYS H 9 VAL QG1 5.55 # rEff= 5.12 uni-biDir = 1 Ass-Norm = 59 H 59 LYS H 10 LEU H 3.25 # rEff= 2.71 uni-biDir = 1 Ass-Norm = 59 H 59 LYS H 10 LEU HB2 3.68 # rEff= 3.07 uni-biDir = 1 Ass-Norm = 59 H 59 LYS H 58 VAL HA 2.72 # rEff= 2.27 uni-biDir = 1 Ass-Norm = 59 H 59 LYS H 59 LYS HB2 3.05 # rEff= 2.54 uni-biDir = 1 Ass-Norm = 59 H 60 LYS H 9 VAL QG1 5.11 # rEff= 4.72 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 58 VAL QG1 5.26 # rEff= 4.86 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 59 LYS HA 2.71 # rEff= 2.26 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 60 LYS HA 3.50 # rEff= 2.92 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 60 LYS HB2 3.22 # rEff= 2.68 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 60 LYS HB3 3.73 # rEff= 3.11 uni-biDir = 1 Ass-Norm = 60 H 60 LYS H 60 LYS HG2 4.15 # rEff= 3.21 uni-biDir = 1 Ass-Norm = 60 H 61 LEU H 9 VAL HA 3.04 # rEff= 2.54 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 9 VAL QG1 4.50 # rEff= 4.15 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 60 LYS HB3 4.40 # rEff= 3.38 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 60 LYS HG2 4.77 # rEff= 3.97 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 61 LEU HA 2.88 # rEff= 2.07 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 61 LEU HB2 3.07 # rEff= 2.56 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 61 LEU QD1 4.49 # rEff= 4.14 uni-biDir = 1 Ass-Norm = 61 H 61 LEU H 62 ASP H 3.15 # rEff= 2.63 uni-biDir = 1 Ass-Norm = 61 H 62 ASP H 62 ASP HB2 3.85 # rEff= 3.21 uni-biDir = 1 Ass-Norm = 62 H 2 ASP H 2 ASP HA 2.80 3 GLU H 4 THR H 3.02 4 THR H 4 THR HA 3.35 4 THR H 4 THR HB 3.15 4 THR H 5 GLY H 2.91 6 LYS H 6 LYS HE2 5.94 9 VAL H 31 LEU H 2.84 9 VAL H 61 LEU H 5.06 10 LEU H 58 VAL HA 4.46 11 ALA H 25 MET QE 4.93 11 ALA H 27 LYS HA 5.25 11 ALA H 28 GLY H 3.26 11 ALA H 29 ASP H 3.45 11 ALA H 29 ASP HB2 5.23 12 LEU H 11 ALA H 4.29 12 LEU H 25 MET HG2 6.00 12 LEU H 25 MET HG3 4.05 13 TYR H 14 ASP H 4.43 13 TYR H 57 TYR HA 4.21 13 TYR H 58 VAL HA 6.00 14 ASP H 26 LYS HA 5.58 14 ASP H 57 TYR QD 8.00 15 TYR H 13 TYR H 5.09 15 TYR H 13 TYR QD 8.00 15 TYR H 16 GLN H 4.57 15 TYR H 24 THR HA 5.50 16 GLN H 15 TYR QE 8.00 16 GLN HE22 16 GLN HA 5.37 16 GLN H 24 THR QG2 5.21 16 GLN HE22 24 THR QG2 6.21 18 LYS H 18 LYS HA 2.75 21 ARG H 21 ARG HD2 4.99 21 ARG H 21 ARG HH11 3.82 22 GLU H 19 SER HB2 4.44 22 GLU H 23 VAL H 4.69 22 GLU H 51 GLY HA2 4.59 23 VAL H 15 TYR QE 8.00 25 MET H 15 TYR HB3 4.29 25 MET H 24 THR H 4.42 30 ILE H 29 ASP HA 2.51 30 ILE H 29 ASP HB2 3.21 30 ILE H 30 ILE HA 3.14 30 ILE H 30 ILE HB 2.59 30 ILE H 30 ILE QD1 4.88 32 THR H 44 VAL HB 3.35 32 THR H 46 VAL HA 4.23 34 LEU H 33 LEU HB3 4.05 34 LEU H 43 LYS H 5.13 34 LEU H 44 VAL HB 4.54 34 LEU H 45 GLU H 4.66 35 ASN H 33 LEU HB3 4.64 35 ASN HD21 35 ASN HA 4.18 35 ASN HD21 35 ASN HB3 4.31 35 ASN HD22 35 ASN HA 4.02 35 ASN HD21 37 THR HB 4.58 35 ASN H 42 TRP HA 5.00 35 ASN H 52 PHE QE 8.00 36 SER H 35 ASN HB3 4.17 36 SER H 35 ASN HD21 4.74 36 SER H 35 ASN HD22 4.86 36 SER H 38 ASN H 3.79 36 SER H 43 LYS HB2 4.88 37 THR H 35 ASN HA 3.75 37 THR H 35 ASN HB3 4.70 37 THR H 35 ASN HD22 3.27 37 THR H 36 SER HB2 4.60 37 THR H 36 SER HB3 4.20 38 ASN H 38 ASN HD21 5.49 38 ASN H 39 LYS H 4.11 38 ASN H 42 TRP HA 4.69 39 LYS H 38 ASN HD21 5.15 39 LYS H 38 ASN HD22 4.60 40 ASP H 38 ASN HA 4.34 40 ASP H 41 TRP HA 5.50 40 ASP H 41 TRP HD1 8.00 41 TRP H 38 ASN HA 4.29 41 TRP H 38 ASN HD22 3.86 41 TRP H 39 LYS HG2 5.34 42 TRP HE1 36 SER HB2 8.00 42 TRP H 41 TRP H 4.23 42 TRP H 52 PHE HB3 4.32 43 LYS H 35 ASN HA 5.55 43 LYS H 36 SER HA 4.45 43 LYS H 38 ASN H 4.31 43 LYS H 52 PHE QD 8.00 43 LYS H 52 PHE QE 8.00 44 VAL H 34 LEU HB3 5.15 44 VAL H 43 LYS HB3 4.20 44 VAL H 45 GLU HB2 6.00 44 VAL H 52 PHE HB2 5.79 44 VAL H 53 VAL H 3.81 46 VAL H 46 VAL QG2 5.15 47 ASN HD22 24 THR H 6.5 47 ASN H 46 VAL H 4.19 47 ASN HD22 46 VAL QG1 4.95 47 ASN H 47 ASN HA 2.24 47 ASN H 47 ASN HD21 5.11 47 ASN H 47 ASN HD22 4.91 47 ASN HD22 47 ASN HA 5.17 47 ASN H 49 ARG H 4.78 47 ASN HD21 49 ARG HA 4.71 47 ASN HD22 49 ARG HA 5.35 48 ASP H 49 ARG HB2 5.93 49 ARG H 45 GLU HA 4.90 49 ARG H 47 ASN HA 5.55 49 ARG H 49 ARG HD2 4.94 49 ARG H 50 GLN H 4.07 50 GLN HE22 2 ASP HA 6.0 50 GLN HE22 50 GLN HA 5.63 51 GLY H 22 GLU H 6.10 51 GLY H 52 PHE HB2 5.85 51 GLY H 52 PHE QD 8.00 52 PHE H 22 GLU H 4.49 52 PHE H 22 GLU HB2 5.01 52 PHE H 23 VAL HA 4.35 52 PHE H 43 LYS HB2 5.84 52 PHE H 53 VAL H 4.31 53 VAL H 23 VAL HB 3.93 53 VAL H 25 MET QE 5.56 53 VAL H 41 TRP HA 4.36 53 VAL H 43 LYS H 4.03 53 VAL H 51 GLY H 5.60 55 ALA H 41 TRP HE3 8.00 55 ALA H 54 PRO HB3 4.13 56 ALA H 57 TYR QD 8.00 56 ALA H 57 TYR QE 8.00 57 TYR H 55 ALA QB 4.86 57 TYR H 57 TYR HA 2.99 58 VAL H 13 TYR H 5.21 58 VAL H 13 TYR QD 8.00 58 VAL H 59 LYS H 4.30 59 LYS H 9 VAL HA 4.22 60 LYS H 10 LEU H 4.20 60 LYS H 42 TRP HE3 8.00 60 LYS H 42 TRP HZ3 8.00 61 LEU H 59 LYS H 4.85 62 ASP H 62 ASP HB2 3.21 8 LEU HB2 8 LEU HA 3.18 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 8 HB2 9 VAL HA 9 VAL QG1 2.82 # rEff= 3.12 uni-biDir = 2 Ass-Norm = 9 HA 9 VAL QG1 42 TRP HE3 3.25 # rEff= 3.60 uni-biDir = 2 Ass-Norm = 9 QG1 9 VAL HA 60 LYS HA 3.20 # rEff= 2.66 uni-biDir = 1 Ass-Norm = 9 HA 10 LEU HB2 10 LEU HA 3.19 # rEff= 2.66 uni-biDir = 1 Ass-Norm = 10 HB2 10 LEU QD1 10 LEU HA 3.98 # rEff= 3.67 uni-biDir = 1 Ass-Norm = 10 QD1 10 LEU QD1 28 GLY HA2 4.34 # rEff= 4.00 uni-biDir = 1 Ass-Norm = 10 QD1 11 ALA HA 58 VAL HA 3.01 # rEff= 2.76 uni-biDir = 2 Ass-Norm = 11 HA 12 LEU HB2 10 LEU HB2 5.50 # rEff= 3.25 uni-biDir = 1 Ass-Norm = 12 HB2 12 LEU HA 12 LEU HB2 2.61 # rEff= 2.61 uni-biDir = 2 Ass-Norm = 12 HA 12 LEU HA 12 LEU HB3 3.74 # rEff= 3.11 uni-biDir = 1 Ass-Norm = 12 HA 13 TYR HB3 11 ALA QB 5.31 # rEff= 4.90 uni-biDir = 1 Ass-Norm = 13 HB3 13 TYR HB3 13 TYR HB2 3.66 # rEff= 3.05 uni-biDir = 1 Ass-Norm = 13 HB3 13 TYR QD 15 TYR QE 3.25 # rEff= 2.92 uni-biDir = 2 Ass-Norm = 13 QD 13 TYR HB2 57 TYR QD 8.00 # rEff= 3.24 uni-biDir = 1 Ass-Norm = 13 HB2 13 TYR QE 57 TYR HA 8.00 # rEff= 3.50 uni-biDir = 1 Ass-Norm = 13 QE 15 TYR HB2 13 TYR QD 8.00 # rEff= 4.29 uni-biDir = 1 Ass-Norm = 15 HB2 15 TYR HB2 15 TYR HA 4.40 # rEff= 3.67 uni-biDir = 1 Ass-Norm = 15 HB2 15 TYR HB2 15 TYR QE 8.00 # rEff= 4.12 uni-biDir = 1 Ass-Norm = 15 HB2 15 TYR HB2 15 TYR QE 8.00 # rEff= 4.16 uni-biDir = 1 Ass-Norm = 15 HB2 15 TYR QE 17 GLU HA 2.97 # rEff= 3.17 uni-biDir = 2 Ass-Norm = 15 QE 15 TYR HB2 25 MET HG2 4.29 # rEff= 3.58 uni-biDir = 1 Ass-Norm = 15 HB2 15 TYR HB2 25 MET HG3 4.29 # rEff= 3.57 uni-biDir = 1 Ass-Norm = 15 HB2 16 GLN HA 15 TYR QB 4.34 # rEff= 3.20 uni-biDir = 1 Ass-Norm = 16 HA 17 GLU HB2 17 GLU HA 3.47 # rEff= 2.89 uni-biDir = 1 Ass-Norm = 17 HB2 17 GLU HA 22 GLU HG2 4.69 # rEff= 3.91 uni-biDir = 1 Ass-Norm = 17 HA 18 LYS HD3 17 GLU HA 6.02 # rEff= 5.02 uni-biDir = 1 Ass-Norm = 18 HD3 18 LYS HB2 18 LYS HA 3.88 # rEff= 3.23 uni-biDir = 1 Ass-Norm = 18 HB2 18 LYS HG3 18 LYS HB2 3.76 # rEff= 3.13 uni-biDir = 1 Ass-Norm = 18 HG3 19 SER HB2 19 SER HA 3.88 # rEff= 3.23 uni-biDir = 1 Ass-Norm = 19 HB2 19 SER HB2 19 SER HB3 2.20 # rEff= 2.20 uni-biDir = 2 Ass-Norm = 19 HB2 19 SER HB3 19 SER HA 3.41 # rEff= 2.84 uni-biDir = 1 Ass-Norm = 19 HB3 19 SER HB3 20 PRO HD2 3.48 # rEff= 2.98 uni-biDir = 2 Ass-Norm = 19 HB3 20 PRO HB2 19 SER HB3 5.50 # rEff= 3.92 uni-biDir = 1 Ass-Norm = 20 HB2 20 PRO HD2 19 SER HA 2.97 # rEff= 2.48 uni-biDir = 1 Ass-Norm = 20 HD2 20 PRO HB2 20 PRO HD2 4.83 # rEff= 4.03 uni-biDir = 1 Ass-Norm = 20 HB2 20 PRO HG3 20 PRO HB3 3.64 # rEff= 3.03 uni-biDir = 1 Ass-Norm = 20 HG3 20 PRO HG3 20 PRO HD2 3.44 # rEff= 2.87 uni-biDir = 1 Ass-Norm = 20 HG3 20 PRO HD2 20 PRO QG 3.27 # rEff= 2.92 uni-biDir = 1 Ass-Norm = 20 HD2 21 ARG HB3 21 ARG HA 3.61 # rEff= 3.01 uni-biDir = 1 Ass-Norm = 21 HB3 21 ARG HB3 21 ARG HG2 3.79 # rEff= 3.16 uni-biDir = 1 Ass-Norm = 21 HB3 21 ARG HB3 21 ARG HD2 4.70 # rEff= 3.92 uni-biDir = 1 Ass-Norm = 21 HB3 22 GLU HA 22 GLU HG2 3.36 # rEff= 2.80 uni-biDir = 1 Ass-Norm = 22 HA 22 GLU HB3 41 TRP HH2 4.50 # rEff= 4.21 uni-biDir = 1 Ass-Norm = 22 HB3 22 GLU HA 52 PHE QE 8.00 # rEff= 4.03 uni-biDir = 1 Ass-Norm = 22 HA 23 VAL HA 23 VAL HB 3.03 # rEff= 2.53 uni-biDir = 1 Ass-Norm = 23 HA 23 VAL HA 23 VAL QG1 3.35 # rEff= 3.71 uni-biDir = 2 Ass-Norm = 23 HA 23 VAL HB 23 VAL QG1 3.24 # rEff= 2.99 uni-biDir = 1 Ass-Norm = 23 HB 23 VAL HB 46 VAL QG2 4.19 # rEff= 3.87 uni-biDir = 1 Ass-Norm = 23 HB 24 THR QG2 24 THR HA 4.24 # rEff= 3.91 uni-biDir = 1 Ass-Norm = 24 QG2 24 THR QG2 24 THR HB 3.46 # rEff= 3.19 uni-biDir = 1 Ass-Norm = 24 QG2 27 LYS HA 27 LYS HG2 3.04 # rEff= 3.04 uni-biDir = 2 Ass-Norm = 27 HA 27 LYS HA 27 LYS QB 3.20 # rEff= 2.85 uni-biDir = 1 Ass-Norm = 27 HA 27 LYS HB2 27 LYS HA 3.23 # rEff= 2.69 uni-biDir = 1 Ass-Norm = 27 HB2 27 LYS HB3 27 LYS HA 3.59 # rEff= 2.99 uni-biDir = 1 Ass-Norm = 27 HB3 27 LYS HB3 27 LYS HG2 2.60 # rEff= 2.60 uni-biDir = 2 Ass-Norm = 27 HB3 30 ILE QD1 30 ILE HA 4.42 # rEff= 4.07 uni-biDir = 1 Ass-Norm = 30 QD1 30 ILE QD1 30 ILE HB 3.78 # rEff= 3.49 uni-biDir = 1 Ass-Norm = 30 QD1 31 LEU HB2 44 VAL HB 3.70 # rEff= 3.08 uni-biDir = 1 Ass-Norm = 31 HB2 32 THR QG2 32 THR HA 4.06 # rEff= 3.75 uni-biDir = 1 Ass-Norm = 32 QG2 32 THR QG2 32 THR HB 3.68 # rEff= 3.40 uni-biDir = 1 Ass-Norm = 32 QG2 33 LEU QD1 42 TRP HB3 4.13 # rEff= 3.81 uni-biDir = 1 Ass-Norm = 33 QD1 33 LEU QD1 42 TRP HZ3 4.58 # rEff= 3.65 uni-biDir = 1 Ass-Norm = 33 QD1 34 LEU HB3 34 LEU HA 3.26 # rEff= 2.72 uni-biDir = 1 Ass-Norm = 34 HB3 36 SER HB2 2 ASP HA 6.55 # rEff= 2.96 uni-biDir = 1 Ass-Norm = 36 HB2 36 SER HB2 33 LEU QD1 3.41 # rEff= 3.15 uni-biDir = 1 Ass-Norm = 36 HB2 36 SER HA 36 SER HB2 2.94 # rEff= 2.45 uni-biDir = 1 Ass-Norm = 36 HA 36 SER HB3 36 SER HB2 2.24 # rEff= 1.87 uni-biDir = 1 Ass-Norm = 36 HB3 38 ASN HB2 38 ASN HA 3.98 # rEff= 3.31 uni-biDir = 1 Ass-Norm = 38 HB2 38 ASN HB2 38 ASN HB3 2.86 # rEff= 2.39 uni-biDir = 1 Ass-Norm = 38 HB2 38 ASN HB3 38 ASN HA 3.49 # rEff= 2.91 uni-biDir = 1 Ass-Norm = 38 HB3 39 LYS HA 39 LYS HB2 3.14 # rEff= 2.62 uni-biDir = 1 Ass-Norm = 39 HA 40 ASP HB2 40 ASP HA 3.18 # rEff= 2.65 uni-biDir = 1 Ass-Norm = 40 HB2 40 ASP HB2 40 ASP HB3 1.91 # rEff= 1.91 uni-biDir = 2 Ass-Norm = 40 HB2 41 TRP HD1 40 ASP HB3 3.28 # rEff= 2.73 uni-biDir = 1 Ass-Norm = 41 HD1 41 TRP HZ3 41 TRP HH2 2.83 # rEff= 2.36 uni-biDir = 1 Ass-Norm = 41 HZ3 42 TRP HA 36 SER HA 4.01 # rEff= 3.34 uni-biDir = 1 Ass-Norm = 42 HA 42 TRP HH2 55 ALA QB 2.92 # rEff= 3.23 uni-biDir = 2 Ass-Norm = 42 HH2 43 LYS HB2 43 LYS HA 3.15 # rEff= 2.63 uni-biDir = 1 Ass-Norm = 43 HB2 43 LYS HG2 43 LYS HB3 3.13 # rEff= 2.61 uni-biDir = 1 Ass-Norm = 43 HG2 43 LYS HD2 43 LYS HG2 4.04 # rEff= 3.36 uni-biDir = 1 Ass-Norm = 43 HD2 46 VAL HB 31 LEU HB3 5.25 # rEff= 4.37 uni-biDir = 1 Ass-Norm = 46 HB 46 VAL HA 46 VAL QQG 3.71 # rEff= 3.66 uni-biDir = 1 Ass-Norm = 46 HA 46 VAL HB 46 VAL QQG 2.08 # rEff= 2.05 uni-biDir = 1 Ass-Norm = 46 HB 47 ASN HB2 47 ASN HA 4.02 # rEff= 3.35 uni-biDir = 1 Ass-Norm = 47 HB2 48 ASP HB3 48 ASP HA 3.92 # rEff= 3.26 uni-biDir = 1 Ass-Norm = 48 HB3 49 ARG HG2 49 ARG HD2 4.27 # rEff= 3.56 uni-biDir = 1 Ass-Norm = 49 HG2 52 PHE HB2 21 ARG HG2 4.13 # rEff= 3.44 uni-biDir = 1 Ass-Norm = 52 HB2 52 PHE HA 52 PHE HB3 3.28 # rEff= 2.74 uni-biDir = 1 Ass-Norm = 52 HA 54 PRO HA 41 TRP HA 3.30 # rEff= 2.75 uni-biDir = 1 Ass-Norm = 54 HA 54 PRO HA 54 PRO HB2 3.64 # rEff= 3.04 uni-biDir = 1 Ass-Norm = 54 HA 54 PRO HA 54 PRO HB3 2.67 # rEff= 2.67 uni-biDir = 2 Ass-Norm = 54 HA 54 PRO HA 58 VAL QQG 5.58 # rEff= 4.71 uni-biDir = 1 Ass-Norm = 54 HA 55 ALA QB 40 ASP HA 4.18 # rEff= 3.86 uni-biDir = 1 Ass-Norm = 55 QB 55 ALA HA 55 ALA QB 2.93 # rEff= 2.70 uni-biDir = 1 Ass-Norm = 55 HA 56 ALA HA 56 ALA QB 2.61 # rEff= 2.89 uni-biDir = 2 Ass-Norm = 56 HA 57 TYR QD 57 TYR HA 8.00 # rEff= 3.20 uni-biDir = 1 Ass-Norm = 57 QD 58 VAL QG2 11 ALA HA 3.73 # rEff= 3.44 uni-biDir = 1 Ass-Norm = 58 QG2 58 VAL QG1 55 ALA HA 4.00 # rEff= 3.69 uni-biDir = 1 Ass-Norm = 58 QG1 58 VAL HA 58 VAL QQG 3.33 # rEff= 3.28 uni-biDir = 1 Ass-Norm = 58 HA 59 LYS HB2 59 LYS HA 3.69 # rEff= 3.07 uni-biDir = 1 Ass-Norm = 59 HB2 60 LYS HA 9 VAL QG1 3.34 # rEff= 3.08 uni-biDir = 1 Ass-Norm = 60 HA 60 LYS HB3 60 LYS HB2 2.89 # rEff= 2.41 uni-biDir = 1 Ass-Norm = 60 HB3 61 LEU HA 61 LEU HB2 3.91 # rEff= 3.26 uni-biDir = 1 Ass-Norm = 61 HA 1 MET HB2 3 GLU HB2 4.93 11 ALA QB 25 MET HG2 3.12 11 ALA QB 27 LYS HA 3.33 11 ALA QB 27 LYS HB2 4.42 13 TYR HB3 27 LYS HA 6.00 13 TYR HB3 57 TYR QD 8.00 18 LYS HG3 18 LYS HB2 3.13 20 PRO HA 20 PRO HB3 2.54 20 PRO HB2 20 PRO HB3 2.21 22 GLU HB3 23 VAL HA 4.29 30 ILE QD1 9 VAL QG1 4.36 30 ILE QG2 31 LEU HG 4.43 31 LEU HB3 31 LEU HB2 1.89 31 LEU HG 58 VAL QQG 4.21 40 ASP HB3 40 ASP HA 3.13 41 TRP HE3 57 TYR QD 8.00 44 VAL HA 44 VAL HB 2.53 45 GLU HA 50 GLN HG3 4.57 46 VAL QG2 31 LEU HB3 4.02 46 VAL QG1 44 VAL QQG 2.55 46 VAL HB 50 GLN HA 6.09 49 ARG HA 49 ARG HB2 2.95 52 PHE HB2 52 PHE HB3 2.39 57 TYR QD 57 TYR QE 8.00 58 VAL HA 10 LEU HB2 5.50# Restraints file 2: upper_limit_experimental_H_bonds_SH3.upl 10 LEU H 59 LYS O 2.2 #H-bond 13 TYR H 57 TYR O 2.7 #H-bond 15 TYR H 25 MET O 2.2 #H-bond 19 SER H 22 ARG OE1 2.4 #H-bond 22 GLU H 19 SER O 2.2 #H-bond 25 MET H 15 TYR O 2.2 #H-bond 27 LYS H 14 ASP OD1 2.2 #H-bond 32 THR H 45 GLU O 2.7 #H-bond 33 LEU H 7 GLU O 2.2 #H-bond 37 THR H 35 ASN OD1 2.2 #H-bond 41 TRP H 38 ASN OD1 2.2 #H-bond 44 VAL H 51 GLY O 2.7 #H-bond 49 ARG H 46 VAL O 2.2 #H-bond 52 PHE H 21 ARG O 2.2 #H-bond 55 ALA H 40 ASP O 2.9 #H-bond 58 VAL H 56 ALA O 2.4 #H-bond 57 TYR H 55 ALA O 2.8 #H-bond 23 VAL H 52 PHE O 2.2 #H-bond# Restraints file 3: 3JHNHAcouplings.cco
Contact the webmaster for help, if required. Thursday, May 16, 2024 2:49:50 PM GMT (wattos1)