NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
553320 |
2lxq   |
18690 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
set echo=false end
!non-exchangeable protons
assi (resi 1 and name h5'* )
(resi 1 and name h2' ) 3.98 1.19 1.19 ! 62 -^> 1.85
assi (resi 1 and name h6 )
(resi 1 and name h3' ) 3.26 0.98 0.98 ! 48 -^> 6.23
assi (resi 1 and name h3' )
(resi 1 and name h2'' ) 3.25 0.98 0.98 ! 45 -^- 0.35
assi (resi 1 and name h3' )
(resi 1 and name h2' ) 3.07 0.92 0.92 ! 44 -^- 0.49
assi (resi 1 and name h6 )
(resi 1 and name h2' ) 2.88 0.86 0.86 ! 34 -^- 0.49
assi (resi 1 and name h6 )
(resi 1 and name h2'' ) 3.63 1.09 1.09 ! 35 -^- 0.43
assi (resi 1 and name h1' )
(resi 1 and name h2'' ) 2.99 0.90 0.90 ! 41 -^- 0.53
assi (resi 1 and name h5'* )
(resi 1 and name h2' ) 4.02 1.20 1.20 ! 63 -^> 0.80
assi (resi 1 and name h6 )
(resi 1 and name h5'* ) 3.93 1.18 1.18 ! 69 -^- 1.44
assi (resi 1 and name h1' )
(resi 1 and name h5'* ) 4.63 1.39 1.39 ! 70 -^> 2.19
assi (resi 1 and name h1' )
(resi 1 and name h5'* ) 3.56 1.07 1.07 ! 71 -^> 1.40
assi (resi 1 and name h3' )
(resi 1 and name h5'* ) 2.95 0.88 0.88 ! 72 -^> 1.70
assi (resi 1 and name h6 )
(resi 1 and name h5'* ) 3.85 1.15 1.15 ! 68 P-- 0.17
assi (resi 1 and name h5'* )
(resi 1 and name h2' ) 4.24 1.27 1.27 ! 64 -^- 0.93
assi (resi 1 and name h3' )
(resi 1 and name h5'* ) 3.11 0.93 0.93 ! 66 -^> 0.70
assi (resi 1 and name h5'* )
(resi 1 and name h5'* ) 2.87 0.86 0.86 ! 67 -^- 0.76
assi (resi 1 and name h1' )
(resi 1 and name h2' ) 3.69 1.11 1.11 ! 40 -v- 0.31
assi (resi 1 and name h6 )
(resi 1 and name h1' ) 3.45 1.04 1.04 ! 1 -^- 0.64
!1-2
assi (resi 2 and name h8 )
(resi 1 and name h5'* ) 5.13 1.54 1.54 ! 235 -v> 1.88
assi (resi 2 and name h8 )
(resi 1 and name h3' ) 3.54 1.06 1.06 ! 57 -^> 2.17
assi (resi 2 and name h8 )
(resi 1 and name h2' ) 4.41 1.32 1.32 ! 37 -^- 0.42
assi (resi 2 and name h8 )
(resi 1 and name h1' ) 4.21 1.26 1.26 ! 2 -^- 0.80
assi (resi 2 and name h8 )
(resi 1 and name h2'' ) 3.55 1.07 1.07 ! 36 -^- 0.74
!
assi (resi 2 and name h8 )
(resi 2 and name h2' ) 2.92 0.87 0.87 ! 38 -^> 0.76
assi (resi 2 and name h4' )
(resi 2 and name h5'* ) 2.80 0.84 0.84 ! 107 -^- 0.84
assi (resi 2 and name h3' )
(resi 2 and name h2'' ) 2.78 0.83 0.83 ! 47 -^- 0.78
assi (resi 2 and name h1' )
(resi 2 and name h2' ) 2.96 0.89 0.89 ! 42 -^- 0.43
assi (resi 2 and name h3' )
(resi 2 and name h2' ) 2.77 0.83 0.83 ! 46 -^- 0.87
assi (resi 2 and name h4' )
(resi 2 and name h5'* ) 2.45 0.73 0.73 ! 106 -^> 1.82
assi (resi 2 and name h3' )
(resi 2 and name h5'* ) 3.28 0.98 0.98 ! 105 -^> 1.32
assi (resi 2 and name h1' )
(resi 2 and name h2'' ) 2.87 0.86 0.86 ! 43 -^- 0.43
assi (resi 2 and name h1' )
(resi 2 and name h5'* ) 3.96 1.19 1.19 ! 104 -^> 0.90
assi (resi 2 and name h8 )
(resi 2 and name h3' ) 4.15 1.25 1.25 ! 56 -^- 1.14
assi (resi 2 and name h4' )
(resi 2 and name h2' ) 3.44 1.03 1.03 ! 109 -^- 0.46
assi (resi 2 and name h4' )
(resi 2 and name h2'' ) 3.29 0.99 0.99 ! 110 -^- 0.55
assi (resi 2 and name h3' )
(resi 2 and name h5'* ) 2.81 0.84 0.84 ! 108 -^> 2.28
assi (resi 2 and name h3' )
(resi 2 and name h4' ) 2.73 0.82 0.82 ! 102 -^> 2.28
!2-3
assi (resi 3 and name h8 )
(resi 2 and name h2' ) 4.06 1.22 1.22 ! 49 -^> 1.90
assi (resi 3 and name h8 )
(resi 2 and name h3' ) 4.60 1.38 1.38 ! 58 -^> 2.25
assi (resi 3 and name h8 )
(resi 2 and name h1' ) 4.13 1.24 1.24 ! 10 -^> 1.58
assi (resi 3 and name h8 )
(resi 2 and name h2'' ) 3.44 1.03 1.03 ! 50 -^> 1.16
!G3
assi (resi 3 and name h1' )
(resi 3 and name h5'* ) 3.85 1.16 1.16 ! 335 -^> 2.34
assi (resi 3 and name h8 )
(resi 3 and name h3' ) 3.86 1.16 1.16 ! 59 0^> 2.24
assi (resi 3 and name h3' )
(resi 3 and name h2' ) 2.72 0.82 0.82 ! 61 -^- 0.30
assi (resi 3 and name h8 )
(resi 3 and name h4' ) 4.00 1.20 1.20 ! 133 -^> 3.64
assi (resi 3 and name h8 )
(resi 3 and name h5'* ) 3.70 1.11 1.11 ! 134 -^- 0.87
assi (resi 3 and name h8 )
(resi 3 and name h5'* ) 3.93 1.18 1.18 ! 135 -^- 1.24
assi (resi 3 and name h8 )
(resi 3 and name h1' ) 4.05 1.21 1.21 ! 3 -^> 1.24
assi (resi 3 and name h3' )
(resi 3 and name h2'' ) 2.99 0.90 0.90 ! 60 -^- 0.40
assi (resi 3 and name h8 )
(resi 3 and name h2'' ) 3.29 0.99 0.99 ! 52 -^- 0.44
assi (resi 3 and name h8 )
(resi 3 and name h2' ) 2.64 0.79 0.79 ! 51 -^> 0.77
assi (resi 3 and name h1' )
(resi 3 and name h2'' ) 2.80 0.84 0.84 ! 53 -^- 0.45
assi (resi 3 and name h1' )
(resi 3 and name h2' ) 2.96 0.89 0.89 ! 54 -^- 0.47
!3-4
assi (resi 4 and name h8 )
(resi 3 and name h1' ) 3.29 0.99 0.99 ! 4 -^- 0.37
assi (resi 3 and name h8 )
(resi 4 and name h8 ) 4.51 1.35 1.35 ! 314 -^> 3.59
assi (resi 4 and name h8 )
(resi 3 and name h2' ) 2.95 0.89 0.89 ! 74 -^- 0.48
assi (resi 4 and name h8 )
(resi 3 and name h2'' ) 2.99 0.90 0.90 ! 73 -^- 0.48
assi (resi 4 and name h8 )
(resi 3 and name h3' ) 3.78 1.13 1.13 ! 75 0^> 1.64
!4
assi (resi 4 and name h1' )
(resi 4 and name h2'' ) 3.08 0.93 0.93 ! 76 -^- 0.36
assi (resi 4 and name h1' )
(resi 4 and name h2' ) 2.94 0.88 0.88 ! 77 -^- 0.52
assi (resi 4 and name h8 )
(resi 4 and name h1' ) 3.77 1.13 1.13 ! 79 -^- 0.45
assi (resi 4 and name h3' )
(resi 4 and name h2' ) 2.90 0.87 0.87 ! 82 -^- 0.31
assi (resi 4 and name h3' )
(resi 4 and name h2'' ) 2.51 0.75 0.75 ! 83 -^- 0.38
assi (resi 4 and name h4' )
(resi 4 and name h2'' ) 3.26 0.98 0.98 ! 84 -^- 0.85
assi (resi 4 and name h8 )
(resi 4 and name h2' ) 3.05 0.92 0.92 ! 88 -^- 0.38
assi (resi 4 and name h8 )
(resi 4 and name h2'' ) 2.60 0.78 0.78 ! 89 -^- 0.64
assi (resi 4 and name h4' )
(resi 4 and name h2' ) 3.86 1.16 1.16 ! 85 -^- 0.42
!
assi (resi 5 and name h8 )
(resi 4 and name h2' ) 2.98 0.89 0.89 ! 86 -^- 0.43
assi (resi 5 and name h8 )
(resi 4 and name h2'' ) 3.40 1.02 1.02 ! 87 -^- 0.32
assi (resi 4 and name h8 )
(resi 5 and name h8 ) 3.77 1.13 1.13 ! 315 -^> 4.35
assi (resi 5 and name h8 )
(resi 4 and name h1' ) 3.69 1.11 1.11 ! 11 -^- 1.27
assi (resi 5 and name h8 )
(resi 4 and name h3' ) 3.93 1.18 1.18 ! 80 0^> 5.10
!5
assi (resi 5 and name h1' )
(resi 5 and name h2'' ) 3.08 0.93 0.93 ! 98 -^- 0.43
assi (resi 5 and name h3' )
(resi 5 and name h4' ) 2.13 0.64 0.64 ! 97 -^> 2.24
assi (resi 5 and name h4' )
(resi 5 and name h2' ) 3.70 1.11 1.11 ! 95 -^> 1.65
assi (resi 5 and name h4' )
(resi 5 and name h5'* ) 2.43 0.73 0.73 ! 100 -^- 1.07
assi (resi 5 and name h8 )
(resi 5 and name h5'* ) 3.75 1.12 1.12 ! 339 -^> 3.99
assi (resi 5 and name h8 )
(resi 5 and name h5'* ) 3.60 1.08 1.08 ! 340 -^> 3.50
assi (resi 5 and name h8 )
(resi 5 and name h4' ) 4.16 1.25 1.25 ! 338 -^> 4.35
assi (resi 5 and name h4' )
(resi 5 and name h5'* ) 2.27 0.68 0.68 ! 101 -^> 1.44
assi (resi 5 and name h1' )
(resi 5 and name h2' ) 2.78 0.83 0.83 ! 99 -^- 0.38
assi (resi 5 and name h8 )
(resi 5 and name h1' ) 4.19 1.26 1.26 ! 5 -^> 1.32
assi (resi 5 and name h8 )
(resi 5 and name h3' ) 4.03 1.21 1.21 ! 81 0^> 5.37
assi (resi 5 and name h8 )
(resi 5 and name h2'' ) 2.88 0.86 0.86 ! 90 -^- 0.45
assi (resi 5 and name h3' )
(resi 5 and name h2'' ) 2.45 0.73 0.73 ! 92 -^- 0.43
assi (resi 5 and name h3' )
(resi 5 and name h2' ) 2.81 0.84 0.84 ! 93 -^- 0.45
assi (resi 5 and name h4' )
(resi 5 and name h2'' ) 3.37 1.01 1.01 ! 94 -^- 1.03
!6
assi (resi 6 and name h6 )
(resi 6 and name h2'' ) 2.85 0.86 0.86 ! 113 -^- 0.53
assi (resi 6 and name h6 )
(resi 6 and name h2' ) 3.04 0.91 0.91 ! 114 -^- 0.39
assi (resi 6 and name h1' )
(resi 6 and name h2'' ) 3.21 0.96 0.96 ! 111 -^- 0.73
assi (resi 6 and name h1' )
(resi 6 and name h2' ) 2.82 0.85 0.85 ! 112 -^- 0.45
assi (resi 6 and name h3' )
(resi 6 and name h2'' ) 3.13 0.94 0.94 ! 117 -^- 0.89
assi (resi 6 and name h4' )
(resi 6 and name h2'' ) 3.63 1.09 1.09 ! 119 -^- 0.58
assi (resi 6 and name h4' )
(resi 6 and name h2' ) 3.28 0.98 0.98 ! 118 -^- 0.36
assi (resi 6 and name h3' )
(resi 6 and name h2' ) 3.39 1.02 1.02 ! 116 -v- 2.17
assi (resi 6 and name h6 )
(resi 6 and name h3' ) 4.94 1.48 1.48 ! 115 -^> 1.73
assi (resi 6 and name h6 )
(resi 6 and name h1' ) 3.89 1.17 1.17 ! 12 -^- 0.55
assi (resi 6 and name h6 )
(resi 6 and name h4' ) 3.77 1.13 1.13 ! 233 -^> 2.47
!7
assi (resi 7 and name h3' )
(resi 7 and name h2' ) 3.03 0.91 0.91 ! 126 -^- 0.33
assi (resi 7 and name h8 )
(resi 7 and name h2' ) 3.84 1.15 1.15 ! 125 -^- 0.47
assi (resi 7 and name h4' )
(resi 7 and name h2' ) 3.67 1.10 1.10 ! 129 -^- 0.90
assi (resi 7 and name h4' )
(resi 7 and name h2'' ) 3.40 1.02 1.02 ! 128 -^- 0.48
assi (resi 7 and name h3' )
(resi 7 and name h4' ) 2.51 0.75 0.75 ! 131 -^> 4.27
assi (resi 7 and name h8 )
(resi 7 and name h5'* ) 3.60 1.08 1.08 ! 136 -^> 2.28
assi (resi 7 and name h8 )
(resi 7 and name h5'* ) 3.82 1.15 1.15 ! 137 -^> 2.32
assi (resi 7 and name h8 )
(resi 7 and name h4' ) 3.93 1.18 1.18 ! 132 -^> 4.35
assi (resi 7 and name h3' )
(resi 7 and name h2'' ) 2.32 0.70 0.70 ! 127 -^- 0.45
assi (resi 7 and name h8 )
(resi 7 and name h1' ) 4.03 1.21 1.21 ! 8 -^- 0.91
assi (resi 7 and name h8 )
(resi 7 and name h3' ) 4.09 1.23 1.23 ! 120 0^> 3.92
assi (resi 7 and name h1' )
(resi 7 and name h2' ) 2.83 0.85 0.85 ! 123 -^- 0.54
!seq 7-8
assi (resi 7 and name h1' )
(resi 7 and name h2'' ) 2.85 0.86 0.86 ! 122 -^- 0.51
assi (resi 8 and name h8 )
(resi 7 and name h2' ) 2.96 0.89 0.89 ! 139 -^- 0.41
assi (resi 7 and name h8 )
(resi 8 and name h8 ) 3.66 1.10 1.10 ! 322 0^> 13.70
assi (resi 8 and name h8 )
(resi 7 and name h2'' ) 3.16 0.95 0.95 ! 138 -^- 0.67
assi (resi 8 and name h8 )
(resi 7 and name h1' ) 4.23 1.27 1.27 ! 13 -^- 1.32
assi (resi 8 and name h8 )
(resi 7 and name h3' ) 4.37 1.31 1.31 ! 145 0^> 1.94
! intra 8
assi (resi 8 and name h8 )
(resi 8 and name h3' ) 3.93 1.18 1.18 ! 146 0^> 2.47
assi (resi 8 and name h4' )
(resi 8 and name h2' ) 3.11 0.93 0.93 ! 149 -^- 0.70
assi (resi 8 and name h3' )
(resi 8 and name h2'' ) 3.03 0.91 0.91 ! 147 -^- 0.41
assi (resi 8 and name h3' )
(resi 8 and name h2' ) 2.60 0.78 0.78 ! 148 -^- 0.51
assi (resi 8 and name h3' )
(resi 8 and name h4' ) 3.07 0.92 0.92 ! 151 -^> 2.57
assi (resi 8 and name h4' )
(resi 8 and name h2'' ) 3.59 1.08 1.08 ! 150 -^- 0.48
assi (resi 8 and name h8 )
(resi 8 and name h2' ) 2.78 0.83 0.83 ! 141 -^> 0.83
assi (resi 8 and name h8 )
(resi 8 and name h2'' ) 3.13 0.94 0.94 ! 140 -^- 0.50
assi (resi 8 and name h1' )
(resi 8 and name h2'' ) 2.80 0.84 0.84 ! 142 -^- 0.46
assi (resi 8 and name h1' )
(resi 8 and name h2' ) 2.86 0.86 0.86 ! 143 -^- 0.45
!seq 8-9
assi (resi 9 and name h8 )
(resi 8 and name h3' ) 3.86 1.16 1.16 ! 158 -v- 1.30
assi (resi 9 and name h8 )
(resi 8 and name h2' ) 3.27 0.98 0.98 ! 156 -^- 0.49
assi (resi 9 and name h8 )
(resi 8 and name h2'' ) 2.90 0.87 0.87 ! 155 -^- 0.41
assi (resi 9 and name h8 )
(resi 8 and name h1' ) 3.85 1.16 1.16 ! 14 -^- 1.12
!intra 9
assi (resi 9 and name h3' )
(resi 9 and name h2' ) 2.68 0.80 0.80 ! 160 -^> 0.51
assi (resi 9 and name h3' )
(resi 9 and name h2'' ) 2.70 0.81 0.81 ! 161 -^- 0.36
assi (resi 9 and name h8 )
(resi 9 and name h2'' ) 3.20 0.96 0.96 ! 157 -^- 0.42
assi (resi 9 and name h8 )
(resi 9 and name h3' ) 4.08 1.22 1.22 ! 159 0v> 1.60
assi (resi 9 and name h8 )
(resi 9 and name h1' ) 4.37 1.31 1.31 ! 9 -v- 0.83
assi (resi 9 and name h1' )
(resi 9 and name h2'' ) 2.75 0.82 0.82 ! 153 -^- 0.56
assi (resi 9 and name h1' )
(resi 9 and name h2' ) 3.17 0.95 0.95 ! 154 -^- 0.56
!9-11
assi (resi 9 and name h3' )
(resi 11 and name h7# ) 5.03 1.51 1.51 ! 174 -^- 0.43
assi (resi 9 and name h1' )
(resi 11 and name h7# ) 4.82 1.45 1.45 ! 173 -^> 1.03
!10
assi (resi 10 and name h6 )
(resi 10 and name h1' ) 4.00 1.20 1.20 ! 164 -v- 0.27
assi (resi 10 and name h6 )
(resi 10 and name h2'* ) 2.55 0.77 0.77 ! 162 -^- 0.46
!11
assi (resi 11 and name h1' )
(resi 11 and name h5'* ) 3.54 1.06 1.06 ! 177 -^> 3.55
assi (resi 11 and name h4' )
(resi 11 and name h5'* ) 2.52 0.76 0.76 ! 176 -^> 3.76
assi (resi 11 and name h6 )
(resi 11 and name h5'* ) 3.50 1.05 1.05 ! 194 -^- 1.41
assi (resi 11 and name h3' )
(resi 11 and name h7# ) 5.10 1.53 1.53 ! 179 -^- 0.62
assi (resi 11 and name h6 )
(resi 11 and name h5'* ) 3.52 1.06 1.06 ! 195 -^- 1.28
assi (resi 11 and name h1' )
(resi 11 and name h5'* ) 3.35 1.00 1.00 ! 178 -^> 4.71
assi (resi 11 and name h3' )
(resi 11 and name h4' ) 2.53 0.76 0.76 ! 175 -^> 5.26
assi (resi 11 and name h6 )
(resi 11 and name h2'* ) 2.86 0.86 0.86 ! 168 -^- 0.43
assi (resi 11 and name h1' )
(resi 11 and name h2'* ) 2.97 0.89 0.89 ! 167 -^- 0.70
assi (resi 11 and name h6 )
(resi 11 and name h1' ) 3.77 1.13 1.13 ! 6 -^- 0.82
assi (resi 11 and name h6 )
(resi 11 and name h3' ) 3.93 1.18 1.18 ! 171 -v- 1.19
assi (resi 11 and name h3' )
(resi 11 and name h2'* ) 2.89 0.87 0.87 ! 172 -^- 0.39
!11-12
assi (resi 12 and name h8 )
(resi 11 and name h3'* ) 4.44 1.33 1.33 ! 196 0^> 3.20
assi (resi 12 and name h8 )
(resi 11 and name h2'* ) 4.39 1.32 1.32 ! 169 -^> 1.31
assi (resi 11 and name h1' )
(resi 12 and name h2'' ) 4.02 1.21 1.21 ! 183 -^- 0.99
assi (resi 12 and name h8 )
(resi 11 and name h1' ) 4.50 1.35 1.35 ! 20 -^- 1.19
!12
assi (resi 12 and name h3' )
(resi 12 and name h2' ) 2.25 0.67 0.67 ! 199 -^- 0.37
assi (resi 12 and name h8 )
(resi 12 and name h1' ) 4.11 1.23 1.23 ! 7 -^> 1.54
assi (resi 12 and name h3' )
(resi 12 and name h2'' ) 2.87 0.86 0.86 ! 198 -^- 0.22
assi (resi 12 and name h3' )
(resi 12 and name h4' ) 2.28 0.68 0.68 ! 197 -^> 3.94
assi (resi 12 and name h8 )
(resi 12 and name h4' ) 3.78 1.13 1.13 ! 192 -^> 4.61
assi (resi 12 and name h8 )
(resi 12 and name h2' ) 2.94 0.88 0.88 ! 185 -^> 0.72
assi (resi 12 and name h8 )
(resi 12 and name h2' ) 3.55 1.07 1.07 ! 184 -^- 0.61
assi (resi 12 and name h1' )
(resi 12 and name h2' ) 3.33 1.00 1.00 ! 182 -^- 0.52
assi (resi 12 and name h1' )
(resi 12 and name h2'' ) 2.89 0.87 0.87 ! 181 -^- 0.52
assi (resi 12 and name h8 )
(resi 12 and name h5'* ) 3.62 1.09 1.09 ! 191 -^> 2.44
!12-13
assi (resi 13 and name h8 )
(resi 12 and name h1' ) 3.83 1.15 1.15 ! 21 -^- 0.54
assi (resi 13 and name h8 )
(resi 12 and name h2' ) 2.85 0.86 0.86 ! 205 -^- 0.40
assi (resi 12 and name h8 )
(resi 13 and name h8 ) 4.33 1.30 1.30 ! 318 -^> 2.62
assi (resi 13 and name h8 )
(resi 12 and name h3'* ) 4.27 1.28 1.28 ! 201 0v> 1.69
assi (resi 13 and name h8 )
(resi 12 and name h2' ) 3.05 0.92 0.92 ! 204 -^- 0.45
!13
assi (resi 13 and name h3' )
(resi 13 and name h2' ) 2.69 0.81 0.81 ! 348 -^- 0.47
assi (resi 13 and name h3' )
(resi 13 and name h2'' ) 2.97 0.89 0.89 ! 347 -^- 0.69
assi (resi 13 and name h8 )
(resi 13 and name h4' ) 3.84 1.15 1.15 ! 333 -^> 3.49
assi (resi 13 and name h1' )
(resi 13 and name h2'' ) 3.08 0.93 0.93 ! 203 -^> 0.73
assi (resi 13 and name h1' )
(resi 13 and name h2' ) 3.16 0.95 0.95 ! 202 -^- 0.57
assi (resi 13 and name h8 )
(resi 13 and name h2' ) 2.61 0.78 0.78 ! 206 -^- 0.52
!13-14
assi (resi 14 and name h8 )
(resi 13 and name h1' ) 3.75 1.12 1.12 ! 22 -^- 0.75
assi (resi 14 and name h8 )
(resi 13 and name h3' ) 3.60 1.08 1.08 ! 208 -v- 1.19
assi (resi 14 and name h8 )
(resi 13 and name h8 ) 3.65 1.09 1.09 ! 320 -^> 4.35
assi (resi 14 and name h8 )
(resi 13 and name h2' ) 2.92 0.88 0.88 ! 215 -^- 0.39
assi (resi 14 and name h8 )
(resi 13 and name h2'' ) 2.91 0.87 0.87 ! 214 -^- 0.42
!14
assi (resi 14 and name h1' )
(resi 14 and name h2' ) 2.84 0.85 0.85 ! 210 -^- 0.26
assi (resi 14 and name h8 )
(resi 14 and name h3' ) 3.96 1.19 1.19 ! 209 0v> 1.84
assi (resi 14 and name h1' )
(resi 14 and name h2'' ) 2.80 0.84 0.84 ! 211 -^- 0.47
assi (resi 14 and name h3' )
(resi 14 and name h2'* ) 2.72 0.82 0.82 ! 212 -^> 1.01
assi (resi 14 and name h3' )
(resi 14 and name h2'* ) 3.00 0.90 0.90 ! 213 -^> 1.07
assi (resi 14 and name h8 )
(resi 14 and name h2'* ) 3.26 0.98 0.98 ! 216 -^- 0.35
assi (resi 14 and name h8 )
(resi 14 and name h1' ) 3.60 1.08 1.08 ! 23 -^- 0.65
!15
assi (resi 15 and name h1' )
(resi 15 and name h2'' ) 3.42 1.03 1.03 ! 305 -^- 0.52
assi (resi 15 and name h8 )
(resi 15 and name h1' ) 3.86 1.16 1.16 ! 24 -^> 1.16
assi (resi 15 and name h1' )
(resi 15 and name h2' ) 3.07 0.92 0.92 ! 306 -^- 0.56
assi (resi 15 and name h6 )
(resi 15 and name h3' ) 3.58 1.07 1.07 ! 304 -v- 1.12
assi (resi 15 and name h6 )
(resi 15 and name h2'* ) 2.89 0.87 0.87 ! 163 -^> 0.75
!16
assi (resi 16 and name h8 )
(resi 16 and name h2' ) 3.06 0.92 0.92 ! 222 -^> 0.81
assi (resi 16 and name h1' )
(resi 16 and name h2'' ) 3.10 0.93 0.93 ! 227 -^- 0.43
assi (resi 16 and name h1' )
(resi 16 and name h2' ) 2.59 0.78 0.78 ! 228 -^- 0.44
assi (resi 16 and name h8 )
(resi 16 and name h2'' ) 3.35 1.01 1.01 ! 221 -^- 0.57
assi (resi 16 and name h8 )
(resi 16 and name h3' ) 3.77 1.13 1.13 ! 217 0^> 2.96
assi (resi 16 and name h8 )
(resi 16 and name h4' ) 3.73 1.12 1.12 ! 218 -^> 3.74
assi (resi 16 and name h8 )
(resi 16 and name h5'* ) 3.75 1.13 1.13 ! 219 -^> 2.25
assi (resi 16 and name h8 )
(resi 16 and name h5'* ) 3.46 1.04 1.04 ! 220 -^> 1.94
assi (resi 16 and name h2 )
(resi 16 and name h1' ) 3.92 1.18 1.18 ! 30 -^- 0.97
assi (resi 16 and name h8 )
(resi 16 and name h1' ) 3.89 1.17 1.17 ! 15 -^- 0.85
assi (resi 16 and name h3' )
(resi 16 and name h2' ) 3.21 0.96 0.96 ! 229 -^- 0.69
assi (resi 16 and name h3' )
(resi 16 and name h2'' ) 2.73 0.82 0.82 ! 230 -^- 0.33
!16-17
assi (resi 17 and name h8 )
(resi 16 and name h2'' ) 2.70 0.81 0.81 ! 245 -^> 0.80
assi (resi 17 and name h8 )
(resi 16 and name h1' ) 4.21 1.26 1.26 ! 16 -v- 0.72
assi (resi 17 and name h8 )
(resi 16 and name h2' ) 3.14 0.94 0.94 ! 246 -^- 0.42
!17
assi (resi 17 and name h1' )
(resi 17 and name h2'' ) 2.72 0.81 0.81 ! 243 -^- 0.52
assi (resi 17 and name h8 )
(resi 17 and name h1' ) 4.07 1.22 1.22 ! 17 -v- 1.03
assi (resi 17 and name h8 )
(resi 17 and name h3' ) 4.01 1.20 1.20 ! 237 0^> 1.84
assi (resi 17 and name h8 )
(resi 17 and name h2'' ) 3.25 0.98 0.98 ! 247 -^- 0.62
assi (resi 17 and name h1' )
(resi 17 and name h2' ) 3.10 0.93 0.93 ! 244 -^- 0.49
assi (resi 17 and name h8 )
(resi 17 and name h2' ) 3.14 0.94 0.94 ! 248 -^- 0.44
!17-18
assi (resi 18 and name h8 )
(resi 17 and name h2'' ) 3.06 0.92 0.92 ! 249 -^- 0.50
assi (resi 18 and name h8 )
(resi 17 and name h3' ) 4.00 1.20 1.20 ! 238 0^> 26.07
assi (resi 18 and name h8 )
(resi 17 and name h1' ) 3.98 1.19 1.19 ! 18 -v- 1.08
assi (resi 18 and name h8 )
(resi 17 and name h2' ) 3.48 1.04 1.04 ! 250 -^- 0.56
assi (resi 17 and name h8 )
(resi 18 and name h8 ) 5.27 1.58 1.58 ! 317 0v> 3.22
assi (resi 17 and name h1' )
(resi 18 and name h5'* ) 3.15 0.94 0.94 ! 241 -^> 2.10
assi (resi 17 and name h1' )
(resi 18 and name h5'* ) 2.97 0.89 0.89 ! 242 -^> 3.51
!18
assi (resi 18 and name h8 )
(resi 18 and name h1' ) 4.12 1.24 1.24 ! 19 -^- 1.52
assi (resi 18 and name h8 )
(resi 18 and name h5'* ) 3.68 1.11 1.11 ! 330 -^> 2.78
assi (resi 18 and name h8 )
(resi 18 and name h5'* ) 3.58 1.07 1.07 ! 329 -^> 5.58
assi (resi 18 and name h4' )
(resi 18 and name h5'* ) 2.45 0.74 0.74 ! 259 -^> 6.55
assi (resi 18 and name h3' )
(resi 18 and name h4' ) 2.37 0.71 0.71 ! 258 -^> 10.00
assi (resi 18 and name h4' )
(resi 18 and name h2'' ) 3.52 1.06 1.06 ! 257 -^- 1.07
assi (resi 18 and name h3' )
(resi 18 and name h2'' ) 2.82 0.85 0.85 ! 255 -^- 0.48
assi (resi 18 and name h8 )
(resi 18 and name h2'' ) 3.36 1.01 1.01 ! 251 -^- 0.56
assi (resi 18 and name h1' )
(resi 18 and name h2' ) 3.10 0.93 0.93 ! 252 -^> 0.78
assi (resi 18 and name h1' )
(resi 18 and name h2'' ) 2.79 0.84 0.84 ! 253 -^- 0.51
assi (resi 18 and name h3' )
(resi 18 and name h2' ) 2.80 0.84 0.84 ! 254 -^> 0.63
assi (resi 18 and name h4' )
(resi 18 and name h5'* ) 2.84 0.85 0.85 ! 260 -^> 4.38
assi (resi 18 and name h4' )
(resi 18 and name h2' ) 3.59 1.08 1.08 ! 256 -^- 0.61
assi (resi 18 and name h8 )
(resi 18 and name h3' ) 4.09 1.23 1.23 ! 264 0v> 3.32
assi (resi 18 and name h8 )
(resi 18 and name h2' ) 2.84 0.85 0.85 ! 263 -^- 0.62
!18-19
assi (resi 19 and name h8 )
(resi 18 and name h3' ) 4.67 1.40 1.40 ! 265 -v- 1.54
assi (resi 19 and name h8 )
(resi 18 and name h2' ) 3.61 1.08 1.08 ! 267 -^- 0.57
assi (resi 19 and name h8 )
(resi 18 and name h2'' ) 3.03 0.91 0.91 ! 268 -^> 0.70
assi (resi 19 and name h8 )
(resi 18 and name h1' ) 4.55 1.36 1.36 ! 25 -v> 1.69
assi (resi 19 and name h8 )
(resi 18 and name h8 ) 5.50 1.65 1.65 ! 316 -v> 3.31
assi (resi 18 and name h1' )
(resi 19 and name h5'* ) 2.68 0.81 0.81 ! 277 -^> 1.90
assi (resi 18 and name h1' )
(resi 19 and name h4' ) 2.92 0.88 0.88 ! 275 -^> 6.19
!19
assi (resi 19 and name h8 )
(resi 19 and name h1' ) 3.75 1.12 1.12 ! 270 0^> 2.24
assi (resi 19 and name h8 )
(resi 19 and name h2* ) 3.07 0.92 0.92 ! 271 -^> 0.82
assi (resi 19 and name h3' )
(resi 19 and name h5'* ) 2.57 0.77 0.77 ! 276 -^> 3.09
assi (resi 19 and name h3' )
(resi 19 and name h4' ) 2.20 0.66 0.66 ! 274 -^> 9.75
assi (resi 19 and name h8 )
(resi 19 and name h3' ) 4.42 1.33 1.33 ! 266 -v- 1.44
assi (resi 19 and name h1' )
(resi 19 and name h2'* ) 3.23 0.97 0.97 ! 273 -^> 0.86
assi (resi 19 and name h3' )
(resi 19 and name h2'* ) 2.99 0.90 0.90 ! 272 -^> 1.05
!19-20
assi (resi 20 and name h8 )
(resi 19 and name h1' ) 4.64 1.39 1.39 ! 234 -v- 1.16
assi (resi 20 and name h8 )
(resi 19 and name h8 ) 4.29 1.29 1.29 ! 319 -^> 4.68
assi (resi 20 and name h8 )
(resi 19 and name h2'* ) 3.54 1.06 1.06 ! 278 -^- 0.43
assi (resi 20 and name h8 )
(resi 19 and name h3' ) 4.65 1.40 1.40 ! 279 0^> 2.50
!20
assi (resi 20 and name h8 )
(resi 20 and name h2' ) 2.85 0.85 0.85 ! 284 -^- 0.70
assi (resi 20 and name h3' )
(resi 20 and name h2' ) 3.05 0.91 0.91 ! 286 -^- 1.09
assi (resi 20 and name h2 )
(resi 20 and name h1' ) 4.95 1.48 1.48 ! 31 -^> 1.77
assi (resi 20 and name h3' )
(resi 20 and name h2'' ) 2.98 0.89 0.89 ! 285 -^- 0.72
assi (resi 20 and name h8 )
(resi 20 and name h3' ) 4.57 1.37 1.37 ! 280 -v- 0.92
assi (resi 20 and name h1' )
(resi 20 and name h2'' ) 3.00 0.90 0.90 ! 282 -^- 0.55
assi (resi 20 and name h1' )
(resi 20 and name h2' ) 3.36 1.01 1.01 ! 283 -^- 0.42
assi (resi 20 and name h8 )
(resi 20 and name h1' ) 4.54 1.36 1.36 ! 26 -v- 0.65
!20-21
assi (resi 20 and name h1' )
(resi 21 and name h4' ) 3.14 0.94 0.94 ! 331 -^> 8.16
assi (resi 21 and name h2 )
(resi 20 and name h2 ) 4.13 1.24 1.24 ! 323 -^> 5.28
!20-22
assi (resi 20 and name h2 )
(resi 22 and name h7# ) 5.11 1.53 1.53 ! 311 -^> 0.99
!21
assi (resi 21 and name h3' )
(resi 21 and name h2' ) 3.07 0.92 0.92 ! 292 -^> 0.88
assi (resi 21 and name h3' )
(resi 21 and name h2'' ) 3.33 1.00 1.00 ! 293 -^- 0.57
assi (resi 21 and name h8 )
(resi 21 and name h3' ) 4.03 1.21 1.21 ! 295 -^> 1.11
assi (resi 21 and name h8 )
(resi 21 and name h1' ) 3.86 1.16 1.16 ! 27 -^- 0.85
assi (resi 21 and name h1' )
(resi 21 and name h2'' ) 3.05 0.92 0.92 ! 290 -^- 0.61
assi (resi 21 and name h1' )
(resi 21 and name h2' ) 3.20 0.96 0.96 ! 291 -^- 0.46
assi (resi 21 and name h2 )
(resi 21 and name h1' ) 4.37 1.31 1.31 ! 29 -^- 0.88
assi (resi 21 and name h8 )
(resi 21 and name h5'* ) 4.27 1.28 1.28 ! 346 -v> 1.23
assi (resi 21 and name h8 )
(resi 21 and name h5'* ) 4.83 1.45 1.45 ! 345 -^> 0.97
!21-22
assi (resi 21 and name h8 )
(resi 22 and name h6 ) 5.50 1.65 1.65 ! 349 0v> 4.05 6.33
assi (resi 22 and name h6 )
(resi 21 and name h1' ) 4.28 1.28 1.28 ! 28 -^- 1.32
assi (resi 21 and name h1' )
(resi 22 and name h5'* ) 3.76 1.13 1.13 ! 344 -^- 1.56
assi (resi 21 and name h8 )
(resi 22 and name h5'* ) 4.18 1.26 1.26 ! 342 -^> 1.79
assi (resi 21 and name h8 )
(resi 22 and name h5'* ) 4.35 1.30 1.30 ! 341 -^- 1.25
assi (resi 22 and name h6 )
(resi 21 and name h2'' ) 4.24 1.27 1.27 ! 288 -^> 1.21
assi (resi 22 and name h6 )
(resi 21 and name h2' ) 4.29 1.29 1.29 ! 289 -^- 0.71
assi (resi 21 and name h2 )
(resi 22 and name h7# ) 5.50 1.65 1.65 ! 312 -^l 1.13 5.80
assi (resi 22 and name h6 )
(resi 21 and name h3' ) 5.03 1.51 1.51 ! 326 -v> 2.63
assi (resi 21 and name h8 )
(resi 22 and name h7# ) 4.38 1.31 1.31 ! 310 -^- 0.63
!22
assi (resi 22 and name h3' )
(resi 22 and name h2'' ) 3.44 1.03 1.03 ! 301 -^- 0.17
assi (resi 22 and name h1' )
(resi 22 and name h2' ) 3.34 1.00 1.00 ! 300 -^- 0.44
assi (resi 22 and name h6 )
(resi 22 and name h4' ) 3.84 1.15 1.15 ! 334 -^> 6.28
assi (resi 22 and name h3' )
(resi 22 and name h2' ) 3.14 0.94 0.94 ! 302 -^- 0.43
assi (resi 22 and name h6 )
(resi 22 and name h5'* ) 4.04 1.21 1.21 ! 343 -^> 1.66
assi (resi 22 and name h6 )
(resi 22 and name h2'' ) 3.16 0.95 0.95 ! 296 -^- 0.28
assi (resi 22 and name h6 )
(resi 22 and name h2' ) 3.69 1.11 1.11 ! 297 -^- 0.43
assi (resi 22 and name h6 )
(resi 22 and name h3' ) 3.24 0.97 0.97 ! 327 -^> 3.41
assi (resi 22 and name h1' )
(resi 22 and name h2'' ) 3.07 0.92 0.92 ! 299 -^- 0.44
!exchangeable protons
assi (resi 3 and name H1 )
(resi 1 and name H2' ) 5.00 1.5 1.5 !
assi (resi 3 and name H1 )
(resi 1 and name H2'') 5.00 1.5 1.5 !
assi (resi 3 and name H1 )
(resi 1 and name H1' ) 5.00 1.5 1.5 !
assi (resi 3 and name H1 )
(resi 1 and name H6 ) 5.00 1.5 1.5 !
assi (resi 7 and name H1 )
(resi 1 and name H6 ) 5.00 1.5 1.5 !
assi (resi 7 and name H1 )
(resi 1 and name H7# ) 5.00 1.5 1.5 !
assi (resi 3 and name H1 )
(resi 2 and name H8 ) 5.00 1.5 1.5 !
assi (resi 5 and name H1 )
(resi 22 and name H7# ) 5.00 1.5 1.5 !
assi (resi 9 and name H1 )
(resi 22 and name H7# ) 5.00 1.5 1.5 !
assi (resi 9 and name H1' )
(resi 22 and name H7# ) 5.50 1.5 1.5 !
assi (resi 22 and name H1' )
(resi 5 and name H1 ) 5.00 1.5 1.5 !
assi (resi 22 and name H6 )
(resi 5 and name H1 ) 5.00 1.5 1.5 !
assi (resi 3 and name H1 )
(resi 4 and name H1 ) 3.50 1.05 1.05 !
assi (resi 4 and name H1 )
(resi 5 and name H1 ) 3.50 1.05 1.05 !
assi (resi 8 and name H1 )
(resi 9 and name H1 ) 3.50 1.05 1.05 !
assi (resi 12 and name H1 )
(resi 13 and name H1 ) 3.50 1.05 1.05 !
assi (resi 17 and name H1 )
(resi 18 and name H1 ) 3.50 1.05 1.05 !
assi (resi 12 and name H1 )
(resi 16 and name H1 ) 4.50 1.35 1.35 !
assi (resi 12 and name H1 )
(resi 7 and name H1 ) 4.50 1.35 1.35 !
assi (resi 3 and name H1 )
(resi 16 and name H1 ) 4.50 1.35 1.35 !
assi (resi 9 and name H1 )
(resi 14 and name H1 ) 4.50 1.35 1.35 !
assi (resi 14 and name H1 )
(resi 18 and name H1 ) 4.50 1.35 1.35 !
set echo off message on end
Contact the webmaster for help, if required. Sunday, May 19, 2024 10:15:04 PM GMT (wattos1)