NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
515557 1lud 5396 cing 1-original 9 XPLOR/CNS chemical shift


! Chemical shifts of methyl groups
OBSE  (resid    1 and name Hg2* )      1.22
OBSE  (resid    2 and name Hb*  )      1.52
OBSE  (resid    4 and name Hd1* )      1.19
OBSE  (resid    4 and name Hd2* )      0.80
OBSE  (resid    6 and name Hb*  )      1.51
OBSE  (resid   12 and name Hd1* )      0.93
OBSE  (resid   12 and name Hd2* )      0.81
OBSE  (resid   13 and name Hg2* )      1.29
OBSE  (resid   13 and name Hd1* )      0.84
OBSE  (resid   19 and name Hd1* )      0.70
OBSE  (resid   19 and name Hd2* )      0.40
OBSE  (resid   23 and name Hd1* )      0.75
OBSE  (resid   23 and name Hd2* )     -0.03
OBSE  (resid   27 and name Hd1* )      0.95
OBSE  (resid   27 and name Hd2* )      0.60
OBSE  (resid   32 and name Hb*  )      1.34
OBSE  (resid   34 and name Hg2* )      0.45
OBSE  (resid   35 and name Hg2* )      0.95
OBSE  (resid   38 and name Hg2* )      0.67
OBSE  (resid   38 and name Hd1* )      1.00
OBSE  (resid   39 and name He*  )      2.04
OBSE  (resid   40 and name Hg*  )      0.51
OBSE  (resid   41 and name Hg1* )      0.895
OBSE  (resid   41 and name Hg2* )      0.930
OBSE  (resid   45 and name Hg2* )      0.69
OBSE  (resid   54 and name Hd1* )      0.32
OBSE  (resid   54 and name Hd2* )      0.59
OBSE  (resid   58 and name Hg2* )      1.11
OBSE  (resid   60 and name Hg1* )      0.523
OBSE  (resid   60 and name Hg2* )      0.293
OBSE  (resid   61 and name Hg1* )      0.336
OBSE  (resid   61 and name Hg2* )     -0.21
OBSE  (resid   62 and name Hd1* )     -0.06
OBSE  (resid   62 and name Hd2* )      0.22
OBSE  (resid   63 and name Hg2* )      0.94
OBSE  (resid   70 and name Hb*  )      1.19
OBSE  (resid   73 and name Hb*  )      1.18
OBSE  (resid   74 and name Hg1* )      0.386
OBSE  (resid   74 and name Hg2* )      0.875
OBSE  (resid   75 and name Hg1* )      0.742
OBSE  (resid   75 and name Hg2* )      0.875
OBSE  (resid   76 and name Hg1* )      0.452
OBSE  (resid   76 and name Hg2* )      0.626
OBSE  (resid   79 and name Hg1* )      0.545
OBSE  (resid   79 and name Hg2* )      0.627
OBSE  (resid   80 and name Hb*  )      1.536
OBSE  (resid   81 and name Hb*  )      1.65
OBSE  (resid   82 and name Hg2* )      1.00
OBSE  (resid   82 and name Hg3* )      1.00
OBSE  (resid   84 and name Hb*  )      1.57
OBSE  (resid   86 and name Hb*  )      1.71
OBSE  (resid   94 and name Hd1* )      0.76
OBSE  (resid   94 and name Hd2* )      0.76
OBSE  (resid   95 and name Hg2* )      0.90
OBSE  (resid   96 and name Hg2* )      0.45
OBSE  (resid   96 and name Hd1* )     -0.14
OBSE  (resid   97 and name Hb*  )      1.68
OBSE  (resid  100 and name Hb*  )      1.48
OBSE  (resid  102 and name Hg2* )      0.46
OBSE  (resid  102 and name Hd1* )      0.08
OBSE  (resid  104 and name Hg2* )      1.26
OBSE  (resid  105 and name Hb*  )      1.35
OBSE  (resid  110 and name Hg1* )      0.389
OBSE  (resid  110 and name Hg2* )      0.439
OBSE  (resid  112 and name Hg2* )      1.40
OBSE  (resid  113 and name Hd1* )     -0.96
OBSE  (resid  113 and name Hd2* )      0.29
OBSE  (resid  114 and name Hd1* )      0.99
OBSE  (resid  114 and name Hd2* )      1.06
OBSE  (resid  115 and name Hg2* )     -0.04
OBSE  (resid  116 and name Hg2* )      0.54
OBSE  (resid  118 and name Hd1* )     -0.32
OBSE  (resid  118 and name Hd2* )     -0.61
OBSE  (resid  119 and name Hb*  )      1.36
OBSE  (resid  126 and name Hg2* )      1.23
OBSE  (resid  128 and name He*  )     -0.31
OBSE  (resid  129 and name Hg2* )      1.11
OBSE  (resid  129 and name Hd1* )      0.77
OBSE  (resid  131 and name Hd1* )     -0.04
OBSE  (resid  131 and name Hd2* )      0.39
OBSE  (resid  137 and name Hg2* )      1.20
OBSE  (resid  139 and name Hg1* )      0.906
OBSE  (resid  139 and name Hg2* )      0.910
OBSE  (resid  143 and name Hg2* )      0.88
OBSE  (resid  144 and name Hg1* )      0.912
OBSE  (resid  144 and name Hg2* )      0.829
OBSE  (resid  147 and name Hg2* )      1.27
OBSE  (resid  150 and name Hb*  )      1.37
OBSE  (resid  151 and name Hd1* )      1.15
OBSE  (resid  151 and name Hd2* )      0.80
OBSE  (resid  152 and name Hg2* )      1.11
OBSE  (resid  154 and name Hg2* )      1.04
OBSE  (resid  157 and name Hg1* )      0.940
OBSE  (resid  157 and name Hg2* )      0.939
OBSE  (resid  162 and name Hb*  )      1.31
! chemical shifts of methylene protons with
! unusual chemical shift values
OBSE  (resid   20 and name hb1  )      2.495
OBSE  (resid   20 and name hb2  )      1.654
OBSE  (resid   20 and name hd1  )      3.237
OBSE  (resid   20 and name hd2  )      1.225
OBSE  (resid  138 and name hb1  )      1.101
OBSE  (resid  138 and name hb2  )     -0.766





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