NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8286 |
1lxf   |
5386 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 22 and name HA) (resid 22 and name HB*) 2.44 0.74 0.75
assign (resid 22 and name HA) (resid 22 and name HN) 2.50 0.80 0.80
assign (resid 22 and name HA) (resid 25 and name HB2) 2.50 0.80 0.79
assign (resid 22 and name HA) (resid 25 and name HN) 2.83 1.14 1.14
assign (resid 22 and name HB*) (resid 22 and name HN) 2.90 1.20 1.19
assign (resid 22 and name HB*) (resid 23 and name HN) 3.29 1.59 1.59
assign (resid 22 and name HB*) (resid 25 and name HB2) 3.85 2.15 2.15
assign (resid 23 and name HA) (resid 23 and name HB*) 2.45 0.75 0.75
assign (resid 23 and name HA) (resid 23 and name HN) 2.60 0.91 0.90
assign (resid 23 and name HA) (resid 26 and name HB) 2.81 1.11 1.10
assign (resid 23 and name HA) (resid 26 and name HD1*) 2.86 1.16 1.16
assign (resid 23 and name HA) (resid 26 and name HN) 2.89 1.19 1.19
assign (resid 23 and name HB*) (resid 23 and name HN) 2.65 0.95 0.95
assign (resid 23 and name HB*) (resid 20 and name HA) 3.14 1.44 1.44
assign (resid 23 and name HB*) (resid 20 and name HD*) 3.12 1.42 1.42
assign (resid 23 and name HB*) (resid 24 and name HN) 2.96 1.26 1.25
assign (resid 23 and name HB*) (resid 26 and name HD1*) 3.85 2.15 2.15
assign (resid 31 and name HA) (resid 31 and name HB*) 2.44 0.74 0.73
assign (resid 31 and name HA) (resid 31 and name HN) 2.54 0.84 0.83
assign (resid 31 and name HA) (resid 32 and name HB*) 3.16 1.46 1.46
assign (resid 31 and name HA) (resid 32 and name HN) 2.29 0.59 0.59
assign (resid 31 and name HB*) (resid 31 and name HN) 2.56 0.86 0.85
assign (resid 31 and name HB*) (resid 35 and name HN) 2.90 1.20 1.20
assign (resid 31 and name HB*) (resid 32 and name HB*) 3.49 1.79 1.79
assign (resid 31 and name HB*) (resid 32 and name HN) 3.06 1.36 1.36
assign (resid 31 and name HB*) (resid 40 and name HB*) 3.85 2.15 2.15
assign (resid 31 and name HB*) (resid 40 and name HG*) 3.04 1.34 1.33
assign (resid 31 and name HB*) (resid 34 and name HA*) 3.31 1.61 1.60
assign (resid 31 and name HB*) (resid 34 and name HN) 3.16 1.46 1.46
assign (resid 31 and name HB*) (resid 28 and name HA) 2.95 1.25 1.25
assign (resid 31 and name HB*) (resid 28 and name HB) 3.00 1.30 1.30
assign (resid 31 and name HB*) (resid 28 and name HG*) 3.55 1.85 1.85
assign (resid 7 and name HA) (resid 7 and name HB*) 2.42 0.72 0.73
assign (resid 7 and name HA) (resid 7 and name HN) 2.54 0.84 0.85
assign (resid 7 and name HA) (resid 10 and name HB*) 2.25 0.55 0.54
assign (resid 7 and name HA) (resid 10 and name HG*) 2.83 1.13 1.13
assign (resid 7 and name HA) (resid 10 and name HN) 2.74 1.04 1.04
assign (resid 7 and name HB*) (resid 7 and name HN) 2.65 0.95 0.95
assign (resid 7 and name HB*) (resid 8 and name HN) 3.03 1.33 1.33
assign (resid 7 and name HB*) (resid 10 and name HB*) 3.62 1.92 1.92
assign (resid 7 and name HB*) (resid 10 and name HG*) 3.85 2.15 2.15
assign (resid 7 and name HB*) (resid 4 and name HA) 3.08 1.39 1.38
assign (resid 8 and name HA) (resid 8 and name HB*) 2.42 0.72 0.72
assign (resid 8 and name HA) (resid 8 and name HN) 2.48 0.78 0.77
assign (resid 8 and name HA) (resid 11 and name HG*) 2.91 1.21 1.21
assign (resid 8 and name HA) (resid 11 and name HN) 2.90 1.20 1.19
assign (resid 8 and name HA) (resid 82 and name HG*) 3.66 1.96 1.96
assign (resid 8 and name HA) (resid 9 and name HN) 2.79 1.09 1.10
assign (resid 8 and name HB*) (resid 8 and name HN) 3.08 1.38 1.38
assign (resid 8 and name HB*) (resid 82 and name HB) 3.76 2.06 2.06
assign (resid 8 and name HB*) (resid 82 and name HG*) 3.30 1.60 1.60
assign (resid 8 and name HB*) (resid 9 and name HG*) 3.74 2.04 2.04
assign (resid 8 and name HB*) (resid 9 and name HN) 3.29 1.59 1.59
assign (resid 8 and name HB*) (resid 5 and name HA) 3.28 1.58 1.58
assign (resid 8 and name HB*) (resid 5 and name HD*) 3.85 2.15 2.15
assign (resid 35 and name HA) (resid 35 and name HB1) 2.69 0.99 1.00
assign (resid 35 and name HA) (resid 35 and name HB2) 2.71 1.01 1.00
assign (resid 35 and name HA) (resid 35 and name HN) 2.69 0.99 1.00
assign (resid 35 and name HA) (resid 73 and name HA) 3.06 1.36 1.36
assign (resid 35 and name HA) (resid 36 and name HN) 2.54 0.84 0.84
assign (resid 35 and name HA) (resid 28 and name HG*) 3.08 1.38 1.38
assign (resid 35 and name HB1) (resid 35 and name HB2) 2.31 0.61 0.61
assign (resid 35 and name HB1) (resid 35 and name HN) 2.96 1.26 1.25
assign (resid 35 and name HB1) (resid 36 and name HN) 2.71 1.01 1.02
assign (resid 35 and name HB1) (resid 71 and name HB) 2.79 1.09 1.09
assign (resid 35 and name HB2) (resid 35 and name HN) 2.65 0.95 0.96
assign (resid 35 and name HB2) (resid 36 and name HN) 2.85 1.15 1.15
assign (resid 35 and name HB2) (resid 71 and name HB) 2.77 1.07 1.08
assign (resid 35 and name HB2) (resid 71 and name HG2*) 3.71 2.00 2.00
assign (resid 84 and name HA) (resid 84 and name HB*) 2.67 0.97 0.97
assign (resid 84 and name HA) (resid 84 and name HN) 2.63 0.93 0.93
assign (resid 84 and name HA) (resid 88 and name HA) 3.23 1.53 1.52
assign (resid 84 and name HB*) (resid 84 and name HN) 2.62 0.93 0.92
assign (resid 84 and name HB*) (resid 88 and name HA) 2.67 0.97 0.96
assign (resid 84 and name HB*) (resid 81 and name HA) 3.08 1.38 1.38
assign (resid 25 and name HA) (resid 25 and name HB1) 2.67 0.97 0.98
assign (resid 25 and name HA) (resid 25 and name HB2) 2.75 1.05 1.06
assign (resid 25 and name HA) (resid 25 and name HN) 2.71 1.01 1.00
assign (resid 25 and name HA) (resid 26 and name HN) 3.13 1.43 1.43
assign (resid 25 and name HA) (resid 28 and name HG*) 3.05 1.35 1.35
assign (resid 25 and name HA) (resid 28 and name HN) 3.04 1.34 1.33
assign (resid 25 and name HB1) (resid 25 and name HN) 2.75 1.05 1.06
assign (resid 25 and name HB2) (resid 26 and name HN) 3.00 1.30 1.29
assign (resid 33 and name HB1) (resid 33 and name HB2) 2.33 0.63 0.63
assign (resid 33 and name HB2) (resid 33 and name HA) 2.66 0.96 0.96
assign (resid 33 and name HB2) (resid 33 and name HN) 3.23 1.53 1.53
assign (resid 3 and name HA) (resid 3 and name HB*) 2.66 0.96 0.96
assign (resid 3 and name HA) (resid 3 and name HN) 2.94 1.24 1.23
assign (resid 3 and name HA) (resid 4 and name HN) 2.63 0.93 0.93
assign (resid 3 and name HA) (resid 6 and name HB*) 2.96 1.26 1.25
assign (resid 3 and name HA) (resid 6 and name HD*) 3.48 1.78 1.78
assign (resid 3 and name HA) (resid 6 and name HN) 3.17 1.47 1.47
assign (resid 3 and name HB*) (resid 3 and name HN) 2.80 1.10 1.10
assign (resid 62 and name HA) (resid 62 and name HB*) 2.69 0.99 0.99
assign (resid 62 and name HA) (resid 62 and name HN) 2.80 1.10 1.10
assign (resid 62 and name HA) (resid 65 and name HB1) 2.98 1.28 1.27
assign (resid 62 and name HA) (resid 63 and name HN) 3.22 1.52 1.52
assign (resid 62 and name HA) (resid 61 and name HG2*) 3.35 1.65 1.65
assign (resid 62 and name HB*) (resid 62 and name HN) 2.74 1.04 1.04
assign (resid 62 and name HB*) (resid 59 and name HA) 2.69 0.99 0.98
assign (resid 65 and name HA) (resid 65 and name HB2) 2.73 1.03 1.02
assign (resid 65 and name HA) (resid 65 and name HN) 2.67 0.97 0.96
assign (resid 65 and name HA) (resid 66 and name HN) 2.40 0.70 0.70
assign (resid 65 and name HA) (resid 64 and name HG*) 3.23 1.53 1.53
assign (resid 65 and name HB1) (resid 65 and name HA) 2.71 1.01 1.01
assign (resid 65 and name HB1) (resid 65 and name HB2) 2.27 0.57 0.56
assign (resid 65 and name HB1) (resid 65 and name HN) 2.62 0.92 0.92
assign (resid 65 and name HB1) (resid 61 and name HG2*) 3.00 1.30 1.30
assign (resid 65 and name HB2) (resid 65 and name HN) 2.50 0.80 0.79
assign (resid 65 and name HB2) (resid 61 and name HG2*) 3.08 1.38 1.38
assign (resid 67 and name HB1) (resid 67 and name HA) 2.71 1.01 1.01
assign (resid 67 and name HB1) (resid 67 and name HB2) 2.38 0.68 0.67
assign (resid 67 and name HB1) (resid 67 and name HN) 3.02 1.32 1.31
assign (resid 67 and name HB2) (resid 67 and name HA) 2.66 0.96 0.96
assign (resid 67 and name HB2) (resid 67 and name HN) 3.08 1.38 1.38
assign (resid 73 and name HA) (resid 73 and name HB1) 2.69 0.99 0.98
assign (resid 73 and name HA) (resid 73 and name HB2) 2.67 0.97 0.98
assign (resid 73 and name HA) (resid 73 and name HN) 2.87 1.17 1.17
assign (resid 73 and name HA) (resid 74 and name HB*) 3.29 1.59 1.59
assign (resid 73 and name HA) (resid 74 and name HN) 2.81 1.11 1.10
assign (resid 73 and name HA) (resid 34 and name HN) 3.02 1.32 1.32
assign (resid 73 and name HB1) (resid 73 and name HN) 2.93 1.23 1.23
assign (resid 73 and name HB1) (resid 74 and name HN) 2.81 1.11 1.11
assign (resid 73 and name HB2) (resid 73 and name HB1) 2.39 0.69 0.69
assign (resid 73 and name HB2) (resid 74 and name HN) 2.79 1.09 1.09
assign (resid 75 and name HA) (resid 75 and name HB1) 2.68 0.98 0.98
assign (resid 75 and name HA) (resid 75 and name HB2) 2.75 1.05 1.05
assign (resid 75 and name HA) (resid 75 and name HN) 2.84 1.14 1.14
assign (resid 75 and name HA) (resid 78 and name HD*) 3.43 1.73 1.73
assign (resid 75 and name HB1) (resid 75 and name HN) 2.89 1.19 1.19
assign (resid 75 and name HB1) (resid 76 and name HN) 3.08 1.38 1.38
assign (resid 75 and name HB2) (resid 75 and name HN) 2.85 1.15 1.15
assign (resid 87 and name HB1) (resid 87 and name HA) 2.65 0.95 0.96
assign (resid 87 and name HB1) (resid 87 and name HN) 3.26 1.56 1.56
assign (resid 88 and name HA) (resid 88 and name HB*) 2.69 0.99 0.98
assign (resid 88 and name HB*) (resid 88 and name HN) 2.98 1.28 1.28
assign (resid 10 and name HA) (resid 10 and name HB*) 2.65 0.95 0.94
assign (resid 10 and name HA) (resid 10 and name HG*) 3.13 1.43 1.43
assign (resid 10 and name HA) (resid 10 and name HN) 2.85 1.15 1.15
assign (resid 10 and name HA) (resid 11 and name HN) 3.33 1.64 1.63
assign (resid 10 and name HB*) (resid 10 and name HN) 2.67 0.97 0.97
assign (resid 10 and name HB*) (resid 11 and name HN) 3.28 1.58 1.58
assign (resid 10 and name HG*) (resid 10 and name HN) 3.14 1.44 1.44
assign (resid 14 and name HA) (resid 14 and name HB*) 2.65 0.95 0.94
assign (resid 14 and name HA) (resid 14 and name HN) 2.83 1.13 1.13
assign (resid 14 and name HA) (resid 17 and name HE*) 3.56 1.86 1.85
assign (resid 14 and name HA) (resid 17 and name HN) 3.24 1.54 1.54
assign (resid 14 and name HB*) (resid 14 and name HN) 2.60 0.90 0.90
assign (resid 14 and name HG*) (resid 14 and name HA) 3.13 1.43 1.43
assign (resid 14 and name HG*) (resid 14 and name HN) 3.02 1.32 1.32
assign (resid 14 and name HG*) (resid 18 and name HD22) 3.70 2.00 2.00
assign (resid 15 and name HA) (resid 15 and name HN) 2.81 1.11 1.12
assign (resid 15 and name HA) (resid 16 and name HN) 2.98 1.28 1.28
assign (resid 15 and name HB1) (resid 15 and name HA) 2.65 0.95 0.96
assign (resid 15 and name HB1) (resid 15 and name HN) 2.78 1.08 1.08
assign (resid 15 and name HB2) (resid 15 and name HN) 2.54 0.84 0.84
assign (resid 15 and name HB2) (resid 13 and name HB) 3.25 1.55 1.55
assign (resid 15 and name HG*) (resid 15 and name HN) 3.26 1.56 1.56
assign (resid 19 and name HA) (resid 19 and name HG*) 3.00 1.30 1.30
assign (resid 19 and name HA) (resid 19 and name HN) 2.87 1.17 1.17
assign (resid 19 and name HA) (resid 20 and name HN) 3.27 1.57 1.56
assign (resid 19 and name HB2) (resid 19 and name HA) 2.73 1.03 1.03
assign (resid 19 and name HB2) (resid 19 and name HN) 2.81 1.11 1.10
assign (resid 19 and name HB2) (resid 16 and name HA) 3.13 1.43 1.43
assign (resid 19 and name HB1) (resid 19 and name HA) 2.67 0.97 0.98
assign (resid 19 and name HB1) (resid 19 and name HN) 2.71 1.01 1.00
assign (resid 19 and name HB1) (resid 20 and name HN) 3.22 1.52 1.52
assign (resid 19 and name HB1) (resid 16 and name HA) 3.15 1.45 1.44
assign (resid 19 and name HA) (resid 22 and name HB*) 3.08 1.38 1.38
assign (resid 19 and name HG*) (resid 19 and name HB2) 2.66 0.96 0.96
assign (resid 19 and name HG*) (resid 19 and name HN) 3.00 1.30 1.29
assign (resid 32 and name HA) (resid 33 and name HN) 3.10 1.40 1.40
assign (resid 32 and name HA) (resid 32 and name HB*) 2.65 0.95 0.94
assign (resid 32 and name HA) (resid 32 and name HG*) 2.85 1.15 1.15
assign (resid 32 and name HA) (resid 32 and name HN) 3.00 1.30 1.30
assign (resid 32 and name HB*) (resid 33 and name HA) 3.62 1.92 1.92
assign (resid 32 and name HB*) (resid 33 and name HN) 3.19 1.49 1.48
assign (resid 32 and name HB*) (resid 32 and name HN) 2.77 1.07 1.06
assign (resid 32 and name HG*) (resid 32 and name HN) 3.23 1.53 1.52
assign (resid 40 and name HA) (resid 40 and name HB*) 2.73 1.03 1.04
assign (resid 40 and name HA) (resid 40 and name HG*) 3.10 1.40 1.40
assign (resid 40 and name HA) (resid 40 and name HN) 2.75 1.05 1.04
assign (resid 40 and name HA) (resid 39 and name HB*) 3.18 1.48 1.48
assign (resid 40 and name HA) (resid 43 and name HB*) 3.29 1.59 1.59
assign (resid 40 and name HA) (resid 43 and name HN) 3.16 1.46 1.46
assign (resid 40 and name HB*) (resid 40 and name HG*) 2.69 0.99 0.98
assign (resid 40 and name HB*) (resid 40 and name HN) 2.76 1.06 1.06
assign (resid 40 and name HB*) (resid 36 and name HG2*) 3.53 1.83 1.83
assign (resid 40 and name HB*) (resid 37 and name HN) 2.88 1.18 1.18
assign (resid 55 and name HA) (resid 55 and name HG*) 2.93 1.23 1.23
assign (resid 55 and name HA) (resid 55 and name HN) 2.84 1.14 1.14
assign (resid 55 and name HA) (resid 58 and name HN) 3.04 1.34 1.34
assign (resid 55 and name HB*) (resid 55 and name HG*) 2.69 0.99 0.99
assign (resid 55 and name HB*) (resid 55 and name HN) 2.77 1.07 1.06
assign (resid 55 and name HB*) (resid 56 and name HN) 2.88 1.18 1.18
assign (resid 56 and name HA) (resid 56 and name HN) 2.91 1.21 1.21
assign (resid 56 and name HB1) (resid 56 and name HN) 2.77 1.07 1.07
assign (resid 56 and name HB2) (resid 56 and name HA) 2.70 1.00 1.00
assign (resid 56 and name HB2) (resid 56 and name HB1) 2.25 0.55 0.56
assign (resid 59 and name HA) (resid 62 and name HN) 3.18 1.48 1.48
assign (resid 59 and name HA) (resid 59 and name HB2) 2.65 0.95 0.95
assign (resid 59 and name HA) (resid 59 and name HN) 2.73 1.03 1.04
assign (resid 59 and name HB1) (resid 59 and name HN) 3.04 1.34 1.34
assign (resid 59 and name HB1) (resid 60 and name HN) 3.23 1.53 1.53
assign (resid 59 and name HB2) (resid 60 and name HN) 3.24 1.54 1.54
assign (resid 59 and name HG*) (resid 59 and name HN) 3.32 1.62 1.62
assign (resid 63 and name HA) (resid 63 and name HN) 2.80 1.10 1.10
assign (resid 63 and name HA) (resid 64 and name HN) 3.38 1.68 1.67
assign (resid 63 and name HB2) (resid 63 and name HN) 2.96 1.26 1.26
assign (resid 63 and name HB1) (resid 63 and name HN) 2.88 1.18 1.18
assign (resid 63 and name HG*) (resid 63 and name HN) 3.25 1.55 1.54
assign (resid 63 and name HG*) (resid 64 and name HG*) 3.62 1.92 1.92
assign (resid 66 and name HA) (resid 67 and name HN) 3.08 1.39 1.38
assign (resid 66 and name HA) (resid 66 and name HB2) 2.71 1.01 1.01
assign (resid 66 and name HA) (resid 66 and name HB1) 2.67 0.97 0.96
assign (resid 66 and name HA) (resid 66 and name HG*) 3.12 1.42 1.42
assign (resid 66 and name HA) (resid 66 and name HN) 2.75 1.05 1.04
assign (resid 66 and name HB2) (resid 66 and name HN) 2.66 0.96 0.96
assign (resid 66 and name HB1) (resid 66 and name HN) 2.76 1.06 1.06
assign (resid 66 and name HG*) (resid 66 and name HN) 3.35 1.65 1.65
assign (resid 76 and name HA) (resid 76 and name HB*) 2.66 0.96 0.96
assign (resid 76 and name HA) (resid 76 and name HG*) 2.89 1.19 1.19
assign (resid 76 and name HA) (resid 76 and name HN) 2.88 1.18 1.17
assign (resid 76 and name HA) (resid 79 and name HG*) 3.10 1.41 1.40
assign (resid 76 and name HA) (resid 79 and name HN) 3.17 1.47 1.47
assign (resid 76 and name HB*) (resid 76 and name HG*) 2.73 1.03 1.04
assign (resid 76 and name HB*) (resid 76 and name HN) 2.80 1.10 1.10
assign (resid 76 and name HB*) (resid 72 and name HG*) 2.99 1.29 1.29
assign (resid 76 and name HG*) (resid 76 and name HN) 2.64 0.94 0.94
assign (resid 20 and name HA) (resid 20 and name HB*) 2.70 1.00 1.00
assign (resid 20 and name HA) (resid 20 and name HD*) 3.19 1.49 1.49
assign (resid 20 and name HA) (resid 20 and name HN) 2.75 1.05 1.04
assign (resid 20 and name HB*) (resid 20 and name HN) 2.63 0.93 0.93
assign (resid 20 and name HB*) (resid 20 and name HD*) 3.42 1.72 1.72
assign (resid 20 and name HB*) (resid 17 and name HA) 2.97 1.27 1.27
assign (resid 20 and name HD*) (resid 20 and name HN) 3.40 1.70 1.70
assign (resid 20 and name HD*) (resid 12 and name HD*) 3.40 1.70 1.69
assign (resid 20 and name HD*) (resid 17 and name HA) 3.85 2.15 2.15
assign (resid 20 and name HD*) (resid 78 and name HD*) 3.85 2.15 2.15
assign (resid 24 and name HA) (resid 24 and name HB*) 2.69 0.99 0.99
assign (resid 24 and name HA) (resid 24 and name HD*) 3.21 1.51 1.51
assign (resid 24 and name HA) (resid 24 and name HE*) 3.75 2.05 2.05
assign (resid 24 and name HA) (resid 24 and name HN) 2.81 1.11 1.11
assign (resid 24 and name HA) (resid 27 and name HB*) 3.04 1.34 1.34
assign (resid 24 and name HA) (resid 27 and name HN) 3.43 1.73 1.73
assign (resid 24 and name HA) (resid 26 and name HN) 3.23 1.53 1.53
assign (resid 24 and name HB*) (resid 25 and name HN) 2.83 1.13 1.13
assign (resid 24 and name HB*) (resid 24 and name HN) 2.69 0.99 1.00
assign (resid 24 and name HB*) (resid 74 and name HD*) 3.66 1.96 1.96
assign (resid 27 and name HA) (resid 27 and name HB*) 2.72 1.02 1.02
assign (resid 27 and name HA) (resid 27 and name HD*) 3.44 1.74 1.73
assign (resid 27 and name HA) (resid 44 and name HG*) 3.16 1.46 1.46
assign (resid 27 and name HB*) (resid 27 and name HD*) 2.91 1.21 1.21
assign (resid 27 and name HB*) (resid 27 and name HN) 3.12 1.43 1.42
assign (resid 27 and name HB*) (resid 36 and name HD1*) 3.23 1.53 1.53
assign (resid 27 and name HD*) (resid 36 and name HD1*) 3.46 1.76 1.76
assign (resid 74 and name HA) (resid 24 and name HD*) 3.49 1.79 1.79
assign (resid 74 and name HA) (resid 74 and name HB*) 2.76 1.06 1.06
assign (resid 74 and name HA) (resid 74 and name HD*) 3.05 1.35 1.35
assign (resid 74 and name HA) (resid 74 and name HN) 2.73 1.03 1.02
assign (resid 74 and name HA) (resid 77 and name HB*) 2.90 1.20 1.19
assign (resid 74 and name HA) (resid 77 and name HN) 2.98 1.28 1.27
assign (resid 74 and name HB*) (resid 74 and name HD*) 3.31 1.61 1.61
assign (resid 74 and name HB*) (resid 74 and name HN) 2.73 1.03 1.02
assign (resid 74 and name HD*) (resid 74 and name HE*) 3.85 2.15 2.15
assign (resid 74 and name HE*) (resid 75 and name HA) 3.85 2.15 2.15
assign (resid 77 and name HA) (resid 77 and name HB*) 2.75 1.05 1.04
assign (resid 77 and name HA) (resid 77 and name HE*) 3.84 2.14 2.14
assign (resid 77 and name HA) (resid 77 and name HN) 2.69 0.99 1.00
assign (resid 77 and name HA) (resid 80 and name HB*) 2.89 1.19 1.19
assign (resid 77 and name HA) (resid 80 and name HE*) 3.79 2.08 2.08
assign (resid 77 and name HA) (resid 80 and name HN) 2.92 1.22 1.21
assign (resid 77 and name HA) (resid 64 and name HG*) 3.85 2.15 2.15
assign (resid 77 and name HA) (resid 72 and name HG*) 3.00 1.30 1.30
assign (resid 77 and name HB*) (resid 77 and name HD*) 3.37 1.67 1.67
assign (resid 77 and name HB*) (resid 77 and name HN) 2.58 0.88 0.88
assign (resid 77 and name HB*) (resid 72 and name HG*) 2.96 1.26 1.26
assign (resid 30 and name HA*) (resid 31 and name HN) 2.71 1.01 1.01
assign (resid 30 and name HA*) (resid 30 and name HN) 2.58 0.88 0.88
assign (resid 34 and name HA*) (resid 34 and name HN) 2.50 0.80 0.81
assign (resid 34 and name HA*) (resid 28 and name HG*) 3.54 1.84 1.83
assign (resid 42 and name HA*) (resid 42 and name HN) 2.54 0.84 0.83
assign (resid 42 and name HA*) (resid 43 and name HN) 2.62 0.92 0.92
assign (resid 42 and name HA*) (resid 57 and name HD*) 2.70 1.00 1.00
assign (resid 42 and name HA*) (resid 45 and name HB*) 2.65 0.95 0.94
assign (resid 42 and name HA*) (resid 52 and name HG*) 2.52 0.82 0.81
assign (resid 49 and name HA*) (resid 49 and name HN) 2.38 0.68 0.69
assign (resid 49 and name HA*) (resid 50 and name HN) 2.71 1.01 1.00
assign (resid 68 and name HA*) (resid 68 and name HN) 2.27 0.57 0.58
assign (resid 68 and name HA*) (resid 69 and name HN) 2.98 1.28 1.28
assign (resid 70 and name HA*) (resid 61 and name HG2*) 3.60 1.90 1.90
assign (resid 70 and name HA*) (resid 71 and name HG2*) 3.57 1.87 1.87
assign (resid 70 and name HA*) (resid 71 and name HN) 2.66 0.96 0.96
assign (resid 26 and name HA) (resid 27 and name HN) 3.04 1.34 1.34
assign (resid 26 and name HA) (resid 26 and name HB) 2.72 1.02 1.02
assign (resid 26 and name HA) (resid 26 and name HD1*) 2.98 1.28 1.27
assign (resid 26 and name HA) (resid 26 and name HG1*) 2.64 0.94 0.94
assign (resid 26 and name HA) (resid 26 and name HG2*) 2.69 0.99 0.99
assign (resid 26 and name HA) (resid 26 and name HN) 2.61 0.91 0.91
assign (resid 26 and name HA) (resid 29 and name HD*) 3.60 1.91 1.90
assign (resid 26 and name HA) (resid 29 and name HN) 3.10 1.40 1.40
assign (resid 26 and name HB) (resid 27 and name HN) 2.88 1.18 1.17
assign (resid 26 and name HB) (resid 26 and name HD1*) 2.82 1.12 1.12
assign (resid 26 and name HB) (resid 26 and name HG1*) 2.74 1.04 1.04
assign (resid 26 and name HB) (resid 26 and name HG2*) 2.64 0.94 0.94
assign (resid 26 and name HB) (resid 26 and name HN) 2.50 0.80 0.79
assign (resid 26 and name HD1*) (resid 22 and name HA) 3.14 1.44 1.44
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assign (resid 18 and name HD21) (resid 15 and name HG*) 3.85 2.15 2.15
assign (resid 18 and name HD22) (resid 15 and name HA) 3.85 2.15 2.15
assign (resid 18 and name HD22) (resid 18 and name HB2) 3.85 2.15 2.15
assign (resid 18 and name HD22) (resid 18 and name HB1) 3.85 2.15 2.15
assign (resid 18 and name HD22) (resid 15 and name HG*) 3.85 2.15 2.15
assign (resid 51 and name HD21) (resid 51 and name HB*) 3.85 2.15 2.15
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assign (resid 58 and name HE22) (resid 58 and name HG*) 2.88 1.18 1.18
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assign (resid 5 and name HN) (resid 6 and name HB*) 3.28 1.58 1.58
assign (resid 5 and name HN) (resid 6 and name HG*) 3.42 1.72 1.72
assign (resid 5 and name HN) (resid 4 and name HD1*) 3.85 2.15 2.15
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assign (resid 7 and name HN) (resid 10 and name HB*) 3.48 1.78 1.78
assign (resid 8 and name HN) (resid 9 and name HN) 2.69 0.99 0.99
assign (resid 8 and name HN) (resid 9 and name HG*) 3.85 2.15 2.15
assign (resid 9 and name HN) (resid 10 and name HN) 2.66 0.96 0.96
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assign (resid 11 and name HN) (resid 9 and name HA) 3.29 1.59 1.59
assign (resid 11 and name HN) (resid 12 and name HD*) 3.85 2.15 2.15
assign (resid 12 and name HN) (resid 11 and name HA) 2.82 1.12 1.12
assign (resid 12 and name HN) (resid 9 and name HA) 2.78 1.08 1.08
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assign (resid 14 and name HN) (resid 15 and name HN) 2.71 1.01 1.02
assign (resid 15 and name HN) (resid 14 and name HA) 3.21 1.51 1.50
assign (resid 15 and name HN) (resid 16 and name HN) 2.73 1.03 1.02
assign (resid 15 and name HN) (resid 13 and name HB) 2.65 0.95 0.95
assign (resid 16 and name HN) (resid 13 and name HN) 3.31 1.61 1.61
assign (resid 16 and name HN) (resid 17 and name HN) 2.69 0.99 0.98
assign (resid 16 and name HN) (resid 13 and name HB) 3.33 1.63 1.62
assign (resid 16 and name HN) (resid 15 and name HB2) 2.73 1.03 1.03
assign (resid 16 and name HN) (resid 15 and name HB1) 2.73 1.03 1.04
assign (resid 16 and name HN) (resid 13 and name HG2*) 3.85 2.15 2.15
assign (resid 17 and name HN) (resid 17 and name HD*) 2.77 1.07 1.08
assign (resid 17 and name HN) (resid 12 and name HB*) 3.08 1.38 1.38
assign (resid 17 and name HN) (resid 12 and name HD*) 3.85 2.15 2.15
assign (resid 18 and name HN) (resid 19 and name HN) 2.69 0.99 1.00
assign (resid 18 and name HN) (resid 18 and name HD22) 3.63 1.93 1.93
assign (resid 18 and name HN) (resid 15 and name HA) 2.97 1.27 1.27
assign (resid 18 and name HN) (resid 17 and name HB*) 2.67 0.97 0.97
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assign (resid 19 and name HN) (resid 20 and name HN) 2.62 0.93 0.92
assign (resid 19 and name HN) (resid 16 and name HA) 2.97 1.27 1.27
assign (resid 20 and name HN) (resid 21 and name HN) 2.60 0.90 0.90
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assign (resid 21 and name HN) (resid 24 and name HD*) 3.25 1.55 1.55
assign (resid 21 and name HN) (resid 18 and name HA) 2.65 0.95 0.94
assign (resid 21 and name HN) (resid 22 and name HB*) 3.85 2.15 2.15
assign (resid 21 and name HN) (resid 22 and name HN) 2.75 1.05 1.04
assign (resid 21 and name HN) (resid 20 and name HB*) 2.77 1.07 1.07
assign (resid 21 and name HN) (resid 21 and name HG*) 2.46 0.76 0.76
assign (resid 22 and name HN) (resid 18 and name HA) 3.35 1.65 1.65
assign (resid 22 and name HN) (resid 21 and name HG*) 3.04 1.34 1.34
assign (resid 23 and name HN) (resid 24 and name HN) 2.69 0.99 0.99
assign (resid 23 and name HN) (resid 20 and name HA) 3.06 1.36 1.36
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assign (resid 24 and name HN) (resid 21 and name HA) 3.04 1.34 1.34
assign (resid 25 and name HN) (resid 26 and name HN) 2.69 0.99 0.99
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assign (resid 25 and name HN) (resid 21 and name HA) 3.36 1.66 1.66
assign (resid 26 and name HN) (resid 27 and name HN) 2.92 1.22 1.21
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assign (resid 26 and name HN) (resid 26 and name HD1*) 3.60 1.90 1.90
assign (resid 27 and name HN) (resid 28 and name HN) 3.08 1.38 1.38
assign (resid 27 and name HN) (resid 27 and name HD*) 3.83 2.13 2.13
assign (resid 28 and name HN) (resid 29 and name HN) 2.70 1.00 1.00
assign (resid 28 and name HN) (resid 29 and name HA) 3.06 1.36 1.35
assign (resid 28 and name HN) (resid 27 and name HB*) 2.96 1.26 1.26
assign (resid 29 and name HN) (resid 30 and name HN) 3.47 1.77 1.77
assign (resid 30 and name HN) (resid 31 and name HB*) 3.85 2.15 2.15
assign (resid 30 and name HN) (resid 31 and name HN) 2.91 1.21 1.21
assign (resid 30 and name HN) (resid 29 and name HB1) 3.85 2.15 2.15
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assign (resid 31 and name HN) (resid 28 and name HA) 3.31 1.61 1.61
assign (resid 31 and name HN) (resid 28 and name HB) 3.51 1.81 1.81
assign (resid 32 and name HN) (resid 33 and name HN) 2.97 1.27 1.27
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assign (resid 33 and name HN) (resid 31 and name HA) 3.70 2.00 2.00
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assign (resid 33 and name HN) (resid 32 and name HG*) 3.79 2.09 2.09
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assign (resid 33 and name HN) (resid 34 and name HA*) 3.85 2.15 2.15
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assign (resid 35 and name HN) (resid 28 and name HG*) 3.80 2.10 2.10
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assign (resid 36 and name HN) (resid 36 and name HD1*) 3.85 2.15 2.15
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assign (resid 40 and name HN) (resid 40 and name HG*) 3.20 1.50 1.50
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assign (resid 46 and name HN) (resid 45 and name HA) 2.85 1.15 1.15
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assign (resid 53 and name HN) (resid 56 and name HN) 2.70 1.00 1.00
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assign (resid 72 and name HN) (resid 36 and name HG2*) 3.85 2.15 2.15
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assign (resid 74 and name HN) (resid 74 and name HD*) 3.85 2.15 2.15
assign (resid 75 and name HN) (resid 76 and name HN) 2.80 1.10 1.10
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assign (resid 76 and name HN) (resid 77 and name HN) 2.62 0.92 0.92
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assign (resid 83 and name HN) (resid 84 and name HN) 2.75 1.05 1.06
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assign (resid 85 and name HN) (resid 84 and name HB*) 3.01 1.31 1.31
assign (resid 85 and name HN) (resid 85 and name HA) 2.63 0.93 0.93
assign (resid 86 and name HN) (resid 87 and name HN) 3.26 1.56 1.56
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assign (resid 87 and name HN) (resid 86 and name HG*) 3.85 2.15 2.15
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assign (resid 89 and name HN) (resid 88 and name HA) 2.96 1.26 1.26
{the following are added on Nov 21, 2001}
assign (resid 151 and name HA) (resid 152 and name HN) 4.00 2.00 2.00
assign (resid 152 and name HA) (resid 155 and name HN) 4.00 2.00 2.00
assign (resid 147 and name HA) (resid 148 and name HN) 4.00 2.00 2.00
assign (resid 151 and name HB*) (resid 152 and name HN) 4.00 2.00 2.00
assign (resid 158 and name HG) (resid 157 and name HN) 4.00 2.00 2.00
assign (resid 158 and name HB*) (resid 157 and name HN) 4.00 2.00 2.00
assign (resid 150 and name HB*) (resid 151 and name HN) 4.00 2.00 2.00
assign (resid 155 and name HB*) (resid 156 and name HN) 4.00 2.00 2.00
assign (resid 155 and name HA) (resid 156 and name HN) 4.00 2.00 2.00
{new ones}
assign (resid 150 and name HN) (resid 149 and name HA) 4.00 2.00 2.00
assign (resid 149 and name HN) (resid 148 and name HA) 4.00 2.00 2.00
assign (resid 151 and name HN) (resid 150 and name HA) 4.00 2.00 2.00
assign (resid 153 and name HN) (resid 150 and name HA) 3.00 1.00 1.00
assign (resid 155 and name HN) (resid 154 and name HA) 4.00 2.00 2.00
assign (resid 154 and name HN) (resid 151 and name HA) 3.50 1.50 1.50
assign (resid 153 and name HN) (resid 152 and name HB*) 4.00 2.00 2.00
assign (resid 158 and name HN) (resid 155 and name HA) 3.50 1.50 1.50
assign (resid 162 and name HN) (resid 159 and name HA*) 3.50 1.50 1.50
assign (resid 157 and name HN) (resid 154 and name HA) 3.50 1.50 1.50
{Dnn}
assign (resid 151 and name HN) (resid 152 and name HN) 4.00 2.00 2.00
assign (resid 152 and name HN) (resid 153 and name HN) 4.00 2.00 2.00
assign (resid 155 and name HN) (resid 156 and name HN) 4.00 2.00 2.00
assign (resid 157 and name HN) (resid 158 and name HN) 4.00 2.00 2.00
{added mar 26, 2002}
assign (resid 149 and name HN) (resid 150 and name HB*) 4.00 2.00 2.00
assign (resid 149 and name HN) (resid 148 and name HG1*) 4.00 2.00 2.00
assign (resid 153 and name HN) (resid 152 and name HA) 4.00 2.00 2.00
assign (resid 153 and name HN) (resid 150 and name HB*) 4.00 2.00 2.00
assign (resid 155 and name HN) (resid 154 and name HB*) 4.00 2.00 2.00
assign (resid 155 and name HN) (resid 153 and name HA) 4.00 2.00 2.00
assign (resid 158 and name HN) (resid 157 and name HA) 4.00 2.00 2.00
assign (resid 158 and name HN) (resid 157 and name HG) 4.00 2.00 2.00
assign (resid 158 and name HN) (resid 156 and name HB*) 4.00 2.00 2.00
assign (resid 159 and name HN) (resid 158 and name HG) 4.00 2.00 2.00
assign (resid 154 and name HA) (resid 157 and name HD*) 4.00 2.00 2.00
assign (resid 152 and name HA) (resid 155 and name HB*) 4.00 2.00 2.00
assign (resid 159 and name HA*) (resid 156 and name HA) 4.00 2.00 2.00
assign (resid 159 and name HA*) (resid 162 and name HA) 4.00 2.00 2.00
assign (resid 155 and name HA) (resid 158 and name HG) 4.00 2.00 2.00
assign (resid 155 and name HA) (resid 158 and name HB*) 4.00 2.00 2.00
{drug to peptide}
assign ((resid 92 and name H9*) or (resid 92 and name H10*))
(resid 147 and name HT*) 4.00 2.00 2.00
assign (resid 92 and name H14:H18)
(resid 153 and name HG*) 4.00 2.00 2.00
assign (resid 48 and name HD*) (resid 153 and name HE*) 4.00 2.00 2.00 !29
assign (resid 48 and name HD*) (resid 157 and name HD*) 4.00 2.00 2.00 !62
assign (resid 48 and name HD*) (resid 152 and name HB*) 4.00 2.00 2.00
assign (resid 48 and name HD*) (resid 156 and name HB*) 4.00 2.00 2.00 !63
assign (resid 48 and name HD*) (resid 156 and name HA) 4.00 2.00 2.0
assign (resid 48 and name HD*) (resid 155 and name HB*) 4.00 2.00 2.0
assign (resid 44 and name HG*) (resid 157 and name HD*) 4.00 2.00 2.00 !65,80
assign (resid 44 and name HG*) (resid 153 and name HE*) 4.00 2.00 2.00
assign (resid 23 and name HB*) (resid 157 and name HD*) 4.00 2.00 2.00 !97
assign (resid 23 and name HB*) (resid 157 and name HB*) 4.00 2.00 2.00 !96
assign (resid 26 and name HG2*) (resid 157 and name HD*) 4.00 2.00 2.00 !148
assign (resid 26 and name HG2*) (resid 156 and name HA) 4.00 2.00 2.00
assign (resid 26 and name HD1*) (resid 157 and name HD*) 4.00 2.00 2.00 !182
assign (resid 26 and name HD1*) (resid 160 and name HB*) 4.00 2.00 2.00 !181
assign (resid 26 and name HD1*) (resid 156 and name HA) 4.00 2.00 2.00 !179
assign (resid 45 and name HE*) (resid 148 and name HD1*) 4.00 2.00 2.00 !116
assign (resid 45 and name HE*) (resid 152 and name HB*) 4.00 2.00 2.00
assign (resid 22 and name HB*) (resid 157 and name HD*) 4.00 2.00 2.00 !126
assign (resid 22 and name HB*) (resid 154 and name HG*) 4.00 2.00 2.00
assign (resid 22 and name HB*) (resid 154 and name HE*) 4.00 2.00 2.00 !125
assign (resid 22 and name HB*) (resid 157 and name HA) 4.00 2.00 2.00 !122
assign (resid 47 and name HE*) (resid 156 and name HB*) 4.00 2.00 2.00 !138
assign (resid 47 and name HE*) (resid 156 and name HA) 4.00 2.00 2.00 !136
assign (resid 47 and name HE*) (resid 157 and name HD*) 4.00 2.00 2.00
assign (resid 85 and name HE*) (resid 148 and name HD1*) 4.00 2.00 2.00 !156
assign (resid 85 and name HE*) (resid 150 and name HB*) 4.00 2.00 2.00 !155
assign (resid 85 and name HE*) (resid 148 and name HA) 4.00 2.00 2.00 !152
assign (resid 85 and name HE*) (resid 148 and name HD1*) 4.00 2.00 2.00
assign (resid 80 and name HE*) (resid 148 and name HD1*) 4.00 2.00 2.00
assign (resid 60 and name HE*) (resid 148 and name HD1*) 4.00 2.00 2.00
!contacts to bep start from here
assign ((resid 92 and name H14) or (resid 92 and name H18)) (resid 48 and name HD*) 4.00 2.00 2.00
assign ((resid 92 and name H14) or (resid 92 and name H18)) (resid 41 and name HD*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H23)) (resid 72 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 72 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H23)) (resid 64 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 64 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H23)) (resid 36 and name HG2*) 4.00 2.00 2.00
assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 36 and name HG2*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H23)) (resid 36 and name HD1*) 4.00 2.00 2.00
assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 36 and name HD1*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H23)) (resid 61 and name HD1*) 4.00 2.00 2.00
assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 61 and name HD1*) 4.00 2.00 2.00
{contacts added on dec 28, 2001}
!assign ((resid 92 and name H15) or (resid 92 and name H17)) (resid 23 and name HB*) 4.00 2.00 2.00
assign ((resid 92 and name H14) or (resid 92 and name H18)) (resid 45 and name HE*) 4.00 2.00 2.00
!assign ((resid 92 and name H17) or (resid 92 and name H18)) (resid 60 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H23) or (resid 92 and name H21)) (resid 60 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H24) or (resid 92 and name H20)) (resid 60 and name HE*) 4.00 2.00 2.00
!assign ((resid 92 and name H21) or (resid 92 and name H20)) (resid 80 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H23) or (resid 92 and name H24)) (resid 80 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H81) or (resid 92 and name H82)) (resid 60 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H111) or (resid 92 and name H112)) (resid 60 and name HE*) 4.00 2.00 2.00
assign ((resid 92 and name H101) or (resid 92 and name H102)) (resid 147 and name HT*) 4.00 2.00 2.00
assign ((resid 92 and name H91) or (resid 92 and name H92)) (resid 147 and name HT*) 4.00 2.00 2.00
assign ((resid 92 and name H15) or (resid 92 and name H17)) (resid 41 and name HD*) 4.00 2.00 2.00
assign ((resid 92 and name H14) or (resid 92 and name H18)) (resid 41 and name HD*) 4.00 2.00 2.00
assign ((resid 92 and name H15) or (resid 92 and name H17)) (resid 44 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H14) or (resid 92 and name H18)) (resid 44 and name HG*) 4.00 2.00 2.00
assign ((resid 92 and name H7*) or (resid 92 and name H6*)) (resid 84 and name HB*) 4.00 2.00 2.00
assign (resid 92 and name H16) (resid 48 and name HD*) 4.00 2.00 2.00
assign (resid 65 and name OD1) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 67 and name OD1) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 69 and name OG) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 71 and name O) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 76 and name OE1) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 76 and name OE2) (resid 93 and name CA) 2.40 0.40 0.40
assign (resid 70 and name HN) (resid 65 and name OD2) 2.00 0.30 0.30
assign (resid 70 and name N) (resid 65 and name OD2) 2.90 0.40 0.40
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