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 subtype subsubtype
25826 2kcg 16073 cing 1-original 1 XPLOR/CNS distance NOE simple


!#  1 GLY  HN      1 GLY  HA1     2.90            #peak     1
!#  1 GLY  HN      1 GLY  HA2     2.90            #peak     4
!#  1 GLY  HN     30 ASN  HN      3.83            #peak     8
!#  2 ILE  HN      2 ILE  HB      2.65            #peak    11
!#  1 GLY  HN      2 ILE  HN      3.17            #peak    15
!#  2 ILE  HN     29 ARG  HN      3.08            #peak    16
!#  3 PRO  HA      4 CYSS HN      2.43            #peak    22
!#  3 PRO  HA      5 GLY  HN      4.14            #peak    23
!#  3 PRO  HA     29 ARG  HN      3.79            #peak    24
!#  4 CYSS HA      4 CYSS HB1     2.83            #peak    36
!#  4 CYSS HA      4 CYSS HB1     3.00            #peak    36 250108
!#  4 CYSS HA      4 CYSS HB2     2.83            #peak    37
!#  4 CYSS HA      4 CYSS HB2     3.00            #peak    37 050108
!#  4 CYSS HN      4 CYSS HB1     3.39            #peak    40
!#  4 CYSS HN      4 CYSS HB2     3.39            #peak    42
!#  4 CYSS HN      4 CYSS HB1     3.49            #peak    40 280108
!#  4 CYSS HN      4 CYSS HB2     3.49            #peak    42 280108
!#  4 CYSS HN      5 GLY  HN      2.96            #peak    44
!#  4 CYSS HN     29 ARG  HN      4.14            #peak    45
!#  5 GLY  HA1     6 GLU  HN      3.52            #peak    47
!#  5 GLY  HA2     6 GLU  HN      3.52            #peak    49
!#  6 GLU  HA      6 GLU  HB1     2.96            #peak    50
!#  6 GLU  HA      6 GLU  HB2     2.96            #peak    51
!#  6 GLU  HA      7 SER  HN      2.46            #peak    55
!#  6 GLU  HN      6 GLU  HB1     3.42            #peak    56
!#  6 GLU  HN      6 GLU  HB2     3.42            #peak    58
!#  6 GLU  HN      6 GLU  HB1     3.52            #peak    56 280108
!#  6 GLU  HN      6 GLU  HB2     3.52            #peak    58 280108
!#  6 GLU  HB1     7 SER  HN      3.64            #peak    57
!#  6 GLU  HB2     7 SER  HN      3.64            #peak    59
!#  6 GLU  HB2     7 SER  HN      3.91            #peak    59 281207
!#  4 CYSS HN      6 GLU  HN      4.11            #peak    64
!#  5 GLY  HN      6 GLU  HN      2.80            #peak    65
!#  7 SER  HA      8 CYSS HN      3.08            #peak    67
!#  7 SER  HA     26 VAL  HA      3.67            #peak    68
!#  7 SER  HA     27 CYSS HN      3.92            #peak    69
!#  7 SER  HN      7 SER  HB1     3.42            #peak    70
!#  7 SER  HN      7 SER  HB2     3.42            #peak    73
!#  7 SER  HN      7 SER  HB1     3.72            #peak    70 250108
!#  7 SER  HN      7 SER  HB2     3.72            #peak    73 250108
!#  7 SER  HB1     8 CYSS HN      3.42            #peak    71
!#  7 SER  HB1     9 VAL  HN      4.85            #peak    72
!#  7 SER  HB2     8 CYSS HN      3.42            #peak    74
!#  7 SER  HB2     8 CYSS HN      3.90            #peak    74 301207
!#  7 SER  HB2     9 VAL  HN      4.85            #peak    75
!#  8 CYSS HA      8 CYSS HB1     2.80            #peak    76
!#  8 CYSS HA      8 CYSS HB2     2.80            #peak    77
!#  8 CYSS HA      9 VAL  HN      3.08            #peak    79
!#  8 CYSS HA     10 TRP  HN      4.26            #peak    80
!#  8 CYSS HA     11 ILE  HN      3.76            #peak    81
!#  8 CYSS HB1     9 VAL  HN      4.94            #peak    83
!#  8 CYSS HB2     9 VAL  HN      4.94            #peak    86
!#  9 VAL  HN      9 VAL  HB      2.77            #peak    91
!#  9 VAL  HB     10 TRP  HN      2.90            #peak    92
!#  9 VAL  HN     10 TRP  HN      3.05            #peak    93
!# 10 TRP  HN     10 TRP  HB1     3.02            #peak   108
!# 10 TRP  HN     10 TRP  HB2     3.02            #peak   110
!# 10 TRP  HN     10 TRP  HB1     3.62            #peak   108 250108
!# 10 TRP  HN     10 TRP  HB2     3.62            #peak   110 250108
!# 10 TRP  HB1    11 ILE  HN      3.79            #peak   109
!# 10 TRP  HB2    11 ILE  HN      3.79            #peak   111
!# 11 ILE  HN     11 ILE  HB      3.39            #peak   119
!# 11 ILE  HN     11 ILE  HB      3.61            #peak   119 120108
!#  9 VAL  HN     11 ILE  HN      4.29            #peak   120
!# 10 TRP  HN     11 ILE  HN      2.71            #peak   121
!#  8 CYSS HB1    12 PRO  HA      4.07            #peak   128
!#  8 CYSS HB2    12 PRO  HA      4.07            #peak   129
!# 12 PRO  HA     13 CYSS HN      2.65            #peak   134
!# 12 PRO  HB1    13 CYSS HN      3.39            #peak   135
!# 12 PRO  HB2    13 CYSS HN      3.39            #peak   136
!# 13 CYSS HN     13 CYSS HB1     3.61            #peak   139
!# 13 CYSS HB1    16 SER  HN      3.70            #peak   140
!# 13 CYSS HN     13 CYSS HB2     3.61            #peak   141
!# 13 CYSS HB2    16 SER  HN      3.70            #peak   142
!# 15 SER  HA     16 SER  HN      3.39            #peak   144
!# 16 SER  HA     20 CYSS HN      3.45            #peak   147
!# 16 SER  HN     17 ALA  HN      3.24            #peak   148
!# 16 SER  HN     16 SER  QB      4.00            #peak   149
!# 16 SER  QB     17 ALA  HN      4.77            #peak   150
!# 17 ALA  HA     18 ILE  HN      3.36            #peak   152
!# 18 ILE  HA     18 ILE  HB      2.90            #peak   155
!# 18 ILE  HA     19 GLY  HN      3.27            #peak   157
!# 18 ILE  HA     19 GLY  HN      3.33            #peak   157 060108
!# 18 ILE  HN     18 ILE  HB      3.45            #peak   158
!# 18 ILE  HN     18 ILE  HB      3.54            #peak   158 231207
!# 17 ALA  HN     18 ILE  HN      3.30            #peak   159
!# 18 ILE  HN     19 GLY  HN      3.11            #peak   160
!# 18 ILE  HN     20 CYSS HN      3.58            #peak   161
!# 20 CYSS HA     21 SER  HN      2.49            #peak   176
!# 20 CYSS HA     28 TYR  HN      4.14            #peak   177
!# 20 CYSS HA     28 TYR  HN      4.22            #peak   177 271207
!# 20 CYSS HN     20 CYSS HB1     3.58            #peak   180
!# 20 CYSS HB1    21 SER  HN      3.83            #peak   181
!# 20 CYSS HN     20 CYSS HB2     3.58            #peak   182
!# 20 CYSS HB2    21 SER  HN      3.83            #peak   183
!# 19 GLY  HN     20 CYSS HN      3.33            #peak   185
!# 21 SER  HN     28 TYR  HN      2.93            #peak   188
!# 21 SER  QB     22 CYSS HN      4.34            #peak   190
!# 21 SER  QB     23 LYS  HN      5.58            #peak   191
!# 22 CYSS HA     23 LYS  HN      2.52            #peak   194
!# 22 CYSS HA     26 VAL  HN      4.32            #peak   195
!# 22 CYSS HN     22 CYSS QB      3.78            #peak   196
!# 22 CYSS QB     23 LYS  HN      4.64            #peak   197
!# 23 LYS  HA     24 SER  HN      2.77            #peak   201
!# 23 LYS  HN     23 LYS  QB      4.05            #peak   205
!# 23 LYS  QB     24 SER  HN      5.33            #peak   206
!#  8 CYSS HN     25 LYS  HA      3.30            #peak   215
!# 25 LYS  HN     25 LYS  HA      2.65            #peak   217
!# 25 LYS  HA     26 VAL  HN      3.39            #peak   219
!# 25 LYS  HN     25 LYS  HB1     4.11            #peak   220
!# 25 LYS  HB1    26 VAL  HN      4.38            #peak   221
!# 25 LYS  HN     25 LYS  HB2     4.11            #peak   224
!# 25 LYS  HB2    26 VAL  HN      4.38            #peak   225
!# 24 SER  HN     25 LYS  HN      3.92            #peak   226
!#  8 CYSS HN     26 VAL  HA      3.17            #peak   231
!# 26 VAL  HA     27 CYSS HN      2.56            #peak   233
!# 23 LYS  HN     26 VAL  HB      4.07            #peak   234
!# 26 VAL  HN     26 VAL  HB      2.83            #peak   235
!# 26 VAL  HB     27 CYSS HN      4.11            #peak   236
!# 23 LYS  HN     26 VAL  HN      3.24            #peak   238
!# 25 LYS  HN     26 VAL  HN      3.33            #peak   239
!# 21 SER  HN     27 CYSS HA      4.07            #peak   248
!# 27 CYSS HA     28 TYR  HN      2.40            #peak   252
!# 23 LYS  HN     27 CYSS HN      4.14            #peak   261
!# 23 LYS  HN     27 CYSS HN      4.17            #peak   261 271207
!#  3 PRO  HA     28 TYR  HA      3.05            #peak   262
!#  4 CYSS HN     28 TYR  HA      2.93            #peak   263
!# 28 TYR  HA     28 TYR  HB1     3.02            #peak   264
!# 28 TYR  HA     28 TYR  HB2     3.02            #peak   265
!# 28 TYR  HA     29 ARG  HN      2.46            #peak   268
!# 28 TYR  HN     28 TYR  HB1     3.05            #peak   272
!# 28 TYR  HN     28 TYR  HB2     3.05            #peak   279
!# 28 TYR  HN     28 TYR  HB1     3.61            #peak   272 250108
!# 28 TYR  HN     28 TYR  HB2     3.61            #peak   279 250108
!# 28 TYR  HB1    29 ARG  HN      3.58            #peak   273
!# 28 TYR  HB2    29 ARG  HN      3.58            #peak   280
!# 28 TYR  HB2    29 ARG  HN      3.70            #peak   280 291207
!# 29 ARG  HN     29 ARG  HB1     3.42            #peak   292
!# 29 ARG  HN     29 ARG  HB2     3.42            #peak   295
!#  1 GLY  HN     30 ASN  HA      3.05            #peak   305
!#  1 GLY  HN     30 ASN  HA      3.15            #peak   305 290108
!# 30 ASN  HN     30 ASN  HA      2.90            #peak   307
!#  2 ILE  HB     29 ARG  HN      4.35            #peak    12
!#  2 ILE  HN      2 ILE  HG11    3.45            #peak    13
!#  2 ILE  HN      2 ILE  HG12    3.45            #peak    14
!#  6 GLU  HA      6 GLU  HG1     3.67            #peak    52
!#  6 GLU  HA      6 GLU  HG2     3.67            #peak    53
!#  6 GLU  HN      6 GLU  HG1     5.50            #peak    60
!#  6 GLU  HG1     7 SER  HN      4.48            #peak    61
!#  6 GLU  HG1     7 SER  HN      4.77            #peak    61 060107
!#  6 GLU  HN      6 GLU  HG2     5.50            #peak    62
!#  6 GLU  HG2     7 SER  HN      4.48            #peak    63
!#  8 CYSS HB1    13 CYSS HN      5.31            #peak    84
!#  8 CYSS HB2    13 CYSS HN      5.31            #peak    87
!# 10 TRP  HA     10 TRP  HE3     3.39            #peak   104
!# 10 TRP  HA     10 TRP  HE3     3.99            #peak   104 250108
!# 10 TRP  HN     10 TRP  HD1     5.13            #peak   113
!# 10 TRP  HN     10 TRP  HE3     5.25            #peak   114
!# 16 SER  QB     18 ILE  QG1     7.26            #peak   165
!# 18 ILE  HN     18 ILE  QG1     4.74            #peak   166
!# 18 ILE  QG1    19 GLY  HN      6.38            #peak   167
!# 20 CYSS HA     29 ARG  HB1     4.32            #peak   178
!# 20 CYSS HA     29 ARG  HB2     4.32            #peak   179
!# 23 LYS  HD1    28 TYR  HD2     5.50            #peak   202
!# 23 LYS  HD2    28 TYR  HD2     5.50            #peak   204
!# 23 LYS  HN     23 LYS  QG      6.38            #peak   207
!# 23 LYS  QG     24 SER  HN      6.38            #peak   208
!# 23 LYS  QG     28 TYR  HD2     6.38            #peak   209
!#  9 VAL  HA     25 LYS  QG      5.11            #peak   227
!# 25 LYS  HN     25 LYS  QG      5.21            #peak   229
!# 25 LYS  QG     26 VAL  HN      6.38            #peak   230
!#  1 GLY  HN     28 TYR  HB1     4.07            #peak   269
!# 21 SER  HN     28 TYR  HB1     5.25            #peak   271
!#  1 GLY  HN     28 TYR  HB2     4.07            #peak   274
!# 21 SER  HN     28 TYR  HB2     5.25            #peak   276
!# 26 VAL  HN     28 TYR  HD1     5.50            #peak   281
!#  1 GLY  HN     28 TYR  HD2     5.50            #peak   282
!#  2 ILE  HN     28 TYR  HD2     5.00            #peak   283
!#  4 CYSS HN     28 TYR  HD2     5.50            #peak   284
!# 28 TYR  HD2    29 ARG  HN      4.72            #peak   286
!# 29 ARG  HB1    29 ARG  HE      4.69            #peak   291
!# 29 ARG  HB2    29 ARG  HE      4.69            #peak   294
!# 29 ARG  HN     29 ARG  HG1     4.85            #peak   299
!# 29 ARG  HG1    30 ASN  HN      5.50            #peak   300
!# 29 ARG  HN     29 ARG  HG2     4.85            #peak   303
!# 29 ARG  HG2    30 ASN  HN      5.50            #peak   304
!#  2 ILE  HN      2 ILE  QD1     5.87            #peak    17
!#  2 ILE  HN      2 ILE  QG2     5.34            #peak    18
!#  9 VAL  HN      9 VAL  QG1     5.46            #peak    95
!#  9 VAL  QG1    10 TRP  HD1     6.46            #peak    96
!#  9 VAL  QG1    10 TRP  HN      6.05            #peak    97
!#  9 VAL  HN      9 VAL  QG2     5.46            #peak    98
!#  9 VAL  QG2    10 TRP  HD1     6.46            #peak    99
!#  9 VAL  QG2    10 TRP  HN      6.05            #peak   101
!# 11 ILE  HN     11 ILE  QD1     6.33            #peak   122
!# 10 TRP  HD1    11 ILE  QG2     6.52            #peak   124
!# 11 ILE  HN     11 ILE  QG2     4.53            #peak   125
!# 16 SER  HN     17 ALA  QB      6.52            #peak   153
!# 17 ALA  HN     17 ALA  QB      3.85            #peak   154
!# 16 SER  QB     18 ILE  QD1     6.94            #peak   162
!# 18 ILE  HN     18 ILE  QD1     4.23            #peak   163
!# 18 ILE  QD1    19 GLY  HN      4.82            #peak   164
!# 18 ILE  HN     18 ILE  QG2     4.72            #peak   168
!#  1 GLY  HN      1 GLY  QA      2.42            #peak     4
!#  1 GLY  HN     30 ASN  QB      4.62            #peak   308
!#  1 GLY  QA      2 ILE  HN      3.11            #peak     2
!#  1 GLY  QA     28 TYR  QB      4.17            #peak     6
!#  1 GLY  QA     28 TYR  HD2     3.30            #peak     3
!#  1 GLY  QA     28 TYR  HD2     4.38            #peak     3  #281207
!#  2 ILE  HN     28 TYR  QB      4.03            #peak   275
!#  2 ILE  HA      3 PRO  QD      2.65            #peak    10
!#  2 ILE  QG2     3 PRO  QD      3.83            #peak    20
!#  3 PRO  QB      4 CYSS HN      3.47            #peak    25
!#  3 PRO  QB      5 GLY  HN      3.65            #peak    26
!#  3 PRO  QG      4 CYSS HN      4.62            #peak    33
!#  3 PRO  QG      5 GLY  HN      4.00            #peak    34
!#  3 PRO  QG      5 GLY  HN      4.47            #peak    34 020108
!#  4 CYSS HN      4 CYSS QB      2.65            #peak    42
!#  4 CYSS HN     26 VAL  QQG     6.42            #peak   243
!#  4 CYSS HN     27 CYSS QB      5.23            #peak   256
!#  4 CYSS HA      4 CYSS QB      2.47            #peak    36
!#  4 CYSS QB      5 GLY  HN      3.36            #peak    43
!#  5 GLY  HN      5 GLY  QA      2.51            #peak    48
!#  5 GLY  QA      6 GLU  HN      2.99            #peak    49
!#  6 GLU  HN      6 GLU  QB      2.99            #peak    58
!#  6 GLU  HN      6 GLU  QG      4.80            #peak    60
!#  6 GLU  HN     26 VAL  QQG     6.42            #peak   244
!#  6 GLU  HN     27 CYSS QB      3.50            #peak   253
!#  6 GLU  HA      6 GLU  QB      2.54            #peak    50
!#  6 GLU  QB      7 SER  HN      3.14            #peak    57
!#  6 GLU  QB     27 CYSS QB      3.69            #peak   258
!#  6 GLU  QG      7 SER  HN      3.85            #peak    61
!#  7 SER  HN      7 SER  QB      2.77            #peak    73
!#  7 SER  QB      9 VAL  HN      4.26            #peak    75
!#  8 CYSS HN      8 CYSS QB      3.55            #peak    85
!#  8 CYSS HN      9 VAL  QQG     5.17            #peak    94
!#  8 CYSS HN     25 LYS  QB      5.17            #peak   222
!#  8 CYSS QB      9 VAL  HN      4.21            #peak    86
!#  8 CYSS QB     12 PRO  HA      3.32            #peak   128
!#  8 CYSS QB     13 CYSS HN      4.51            #peak    87
!#  9 VAL  HN      9 VAL  QQG     4.07            #peak    95
!#  9 VAL  HA     25 LYS  QB      3.67            #peak   223
!#  9 VAL  QQG    10 TRP  HN      4.95            #peak   101
!#  9 VAL  QQG    10 TRP  HD1     5.19            #peak    99
!#  9 VAL  QQG    10 TRP  HE1     6.42            #peak   100
!# 10 TRP  HA     10 TRP  QB      2.63            #peak   102
!# 10 TRP  QB     10 TRP  HE3     3.62            #peak   107
!# 10 TRP  QB     11 ILE  HN      3.15            #peak   111
!# 10 TRP  QB     11 ILE  QG2     6.29            #peak   123
!# 11 ILE  HA     12 PRO  QD      3.59            #peak   117
!# 11 ILE  QG2    12 PRO  QD      4.79            #peak   127
!# 13 CYSS HN     13 CYSS QB      2.74            #peak   141
!# 13 CYSS HN     27 CYSS QB      4.44            #peak   254
!# 19 GLY  HN     19 GLY  QA      2.58            #peak   171
!# 20 CYSS HN     20 CYSS QB      2.78            #peak   180
!# 20 CYSS HN     29 ARG  QG      4.73            #peak   301
!# 20 CYSS HA     20 CYSS QB      2.63            #peak   174
!# 20 CYSS HA     29 ARG  QB      3.46            #peak   179
!# 20 CYSS QB     21 SER  HN      3.01            #peak   183
!# 20 CYSS QB     28 TYR  HN      4.53            #peak   184
!# 21 SER  HN     28 TYR  QB      4.61            #peak   276
!# 21 SER  HN     29 ARG  QB      5.34            #peak   293
!# 23 LYS  HN     23 LYS  QD      4.76            #peak   203
!# 23 LYS  QD     28 TYR  HD2     4.62            #peak   204
!# 23 LYS  QD     28 TYR  HD2     4.72            #peak   204 271207
!# 24 SER  HN     24 SER  QB      2.79            #peak   213
!# 24 SER  HN     24 SER  QB      3.20            #peak   213 #241207
!# 24 SER  QB     25 LYS  HN      2.96            #peak   214
!# 24 SER  QB     25 LYS  HN      3.80            #peak   214 020107
!# 24 SER  QB     25 LYS  QG      6.14            #peak   228
!# 25 LYS  HN     25 LYS  QB      3.58            #peak   224
!# 25 LYS  QB     26 VAL  HN      3.78            #peak   225
!# 26 VAL  QQG    27 CYSS HN      4.16            #peak   246
!# 27 CYSS HN     27 CYSS QB      2.59            #peak   255
!# 27 CYSS HA     27 CYSS QB      2.63            #peak   250
!# 28 TYR  HN     28 TYR  QB      2.59            #peak   272
!# 28 TYR  HA     28 TYR  QB      2.60            #peak   265
!# 28 TYR  QB     28 TYR  HD2     2.62            #peak   277
!# 28 TYR  QB     28 TYR  HD2     2.67            #peak   277 241207
!# 28 TYR  QB     29 ARG  HN      2.85            #peak   280
!# 29 ARG  HN     29 ARG  QB      2.83            #peak   292
!# 29 ARG  HN     29 ARG  QG      4.11            #peak   303
!# 29 ARG  QB     29 ARG  HE      4.06            #peak   291
!# 30 ASN  HN     30 ASN  QB      3.55            #peak   310
!# 28 TYR  HN     28 TYR  HD2     3.36            #peak   285
!# 28 TYR  HN     28 TYR  HD2     3.88            #peak   285 271207
!# 28 TYR  HA     28 TYR  HD2     3.52            #peak   266
!# 28 TYR  HA     28 TYR  HD2     3.62            #peak   266 010208
!#  4 CYSS HA     29 ARG  HN      3.83            #peak    46
!#  4 CYSS HA     29 ARG  HN      4.63            #peak    46 060208
!#  6 GLU  HN      7 SER  HN      4.26            #peak    73
!#  6 GLU  HN      7 SER  HN      4.36            #peak    73
!# 15 SER  HN     15 SER  HB1     3.67            #peak   163
!# 15 SER  HN     15 SER  HB2     3.67            #peak   165
!# 27 CYSS HA     27 CYSS HB1     3.02            #peak   283
!# 27 CYSS HA     27 CYSS HB2     3.02            #peak   284
!#  8 CYSS HN     27 CYSS HN      3.42            #peak   295
!# 28 TYR  HN     29 ARG  HN      3.76            #peak   341
!# 28 TYR  HN     29 ARG  HN      4.36            #peak   341 310108
!#  2 ILE  HA     28 TYR  HD2     4.54            #peak    11
!#  3 PRO  HA     28 TYR  HD1     4.54            #peak    25
!# 13 CYSS HB1    16 SER  QB      6.38            #peak   155
!# 13 CYSS HB2    16 SER  QB      6.38            #peak   158
!# 26 VAL  HB     28 TYR  HD2     3.52            #peak   237
!# 26 VAL  HB     28 TYR  HD2     5.00            #peak   237 030108
!# 26 VAL  HB     28 TYR  HD1     4.50            #peak   265
!# 23 LYS  HN     28 TYR  HD1     5.04            #peak   316
!# 15 SER  HA     18 ILE  QD1     4.57            #peak   162
!# 15 SER  HB1    18 ILE  QD1     5.37            #peak   164
!# 15 SER  HB2    18 ILE  QD1     5.37            #peak   166
!# 18 ILE  QG2    29 ARG  HE      6.52            #peak   191
!# 26 VAL  QG1    28 TYR  HD1     5.19            #peak   271
!# 26 VAL  QG2    28 TYR  HD1     5.19            #peak   280
!# 26 VAL  QG1    28 TYR  HD2     6.33            #peak   242
!# 26 VAL  QG2    28 TYR  HD2     6.33            #peak   247
!# 26 VAL  QG1    28 TYR  HD2     6.73            #peak   242 060208
!# 26 VAL  QG2    28 TYR  HD2     6.73            #peak   247 060208
!#  3 PRO  HA     26 VAL  QQG     6.42            #peak   273 
!#  3 PRO  QB     26 VAL  QQG     4.43            #peak   274
!#  3 PRO  QB     28 TYR  HD1     4.50            #peak    29
!#  3 PRO  QB     28 TYR  HD2     4.50            #peak    27
!#  3 PRO  QG     26 VAL  QQG     5.25            #peak   275
!#  3 PRO  QG     28 TYR  HD1     3.05            #peak    40
!#  3 PRO  QG     28 TYR  HD2     3.05            #peak    35
!#  3 PRO  QG     28 TYR  HD1     4.40            #peak    40 060208
!#  3 PRO  QG     28 TYR  HD2     4.40            #peak    35 060208
!#  3 PRO  QD     28 TYR  HD1     3.76            #peak    32
!#  3 PRO  QD     28 TYR  HD2     3.76            #peak    29
!#  7 SER  QB      9 VAL  QQG     4.60            #peak   102
!#  9 VAL  QQG    10 TRP  HZ2     6.30            #peak   112
!#  9 VAL  QQG    25 LYS  QB      4.00            #peak   107
!#  9 VAL  QQG    25 LYS  QE      7.26            #peak   113
!# 15 SER  HN     15 SER  QB      3.16            #peak   165
!# 15 SER  QB     18 ILE  QD1     4.55            #peak   166
!# 15 SER  QB     20 CYSS QB      4.94            #peak   205
!# 16 SER  QB     20 CYSS QB      6.16            #peak   206
!# 19 GLY  QA     29 ARG  QG      4.20            #peak   195
!# 19 GLY  QA     29 ARG  QD      4.39            #peak   194
!# 20 CYSS QB     27 CYSS QB      2.90            #peak   211
!# 26 VAL  HN     26 VAL  QQG     4.35            #peak   269
!# 26 VAL  QQG    28 TYR  HD1     4.99            #peak   280
!# 26 VAL  QQG    28 TYR  HD2     4.99            #peak   247
assign (resid   1 and name   HN)   (resid   1 and name  HA1)   2.350    0.550    0.550  
assign (resid   1 and name   HN)   (resid   1 and name  HA2)   2.350    0.550    0.550  
assign (resid   1 and name   HN)   (resid  30 and name   HN)   2.815    1.015    1.015  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.225    0.425    0.425  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.485    0.685    0.685  
assign (resid   2 and name   HN)   (resid  29 and name   HN)   2.440    0.640    0.640  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   2.970    1.170    1.170  
assign (resid   3 and name   HA)   (resid  29 and name   HN)   2.795    0.995    0.995  
assign (resid   4 and name   HA)   (resid   4 and name  HB1)   2.400    0.600    0.600  
assign (resid   4 and name   HA)   (resid   4 and name  HB2)   2.400    0.600    0.600  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.645    0.845    0.845  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.645    0.845    0.845  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.380    0.580    0.580  
assign (resid   4 and name   HN)   (resid  29 and name   HN)   2.970    1.170    1.170  
assign (resid   5 and name  HA1)   (resid   6 and name   HN)   2.660    0.860    0.860  
assign (resid   5 and name  HA2)   (resid   6 and name   HN)   2.660    0.860    0.860  
assign (resid   6 and name   HA)   (resid   6 and name  HB1)   2.380    0.580    0.580  
assign (resid   6 and name   HA)   (resid   6 and name  HB2)   2.380    0.580    0.580  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.130    0.330    0.330  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.660    0.860    0.860  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.660    0.860    0.860  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   2.720    0.920    0.920  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   2.855    1.055    1.055  
assign (resid   4 and name   HN)   (resid   6 and name   HN)   2.955    1.155    1.155  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.300    0.500    0.500  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.440    0.640    0.640  
assign (resid   7 and name   HA)   (resid  26 and name   HA)   2.735    0.935    0.935  
assign (resid   7 and name   HA)   (resid  27 and name   HN)   2.860    1.060    1.060  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.760    0.960    0.960  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.760    0.960    0.960  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.610    0.810    0.810  
assign (resid   7 and name  HB1)   (resid   9 and name   HN)   3.325    1.525    1.525  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.850    1.050    1.050  
assign (resid   7 and name  HB2)   (resid   9 and name   HN)   3.325    1.525    1.525  
assign (resid   8 and name   HA)   (resid   8 and name  HB1)   2.300    0.500    0.500  
assign (resid   8 and name   HA)   (resid   8 and name  HB2)   2.300    0.500    0.500  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.440    0.640    0.640  
assign (resid   8 and name   HA)   (resid  10 and name   HN)   3.030    1.230    1.230  
assign (resid   8 and name   HA)   (resid  11 and name   HN)   2.780    0.980    0.980  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.370    1.570    1.570  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.370    1.570    1.570  
assign (resid   9 and name   HN)   (resid   9 and name   HB)   2.285    0.485    0.485  
assign (resid   9 and name   HB)   (resid  10 and name   HN)   2.350    0.550    0.550  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.425    0.625    0.625  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.710    0.910    0.910  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.710    0.910    0.910  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.795    0.995    0.995  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.795    0.995    0.995  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.705    0.905    0.905  
assign (resid   9 and name   HN)   (resid  11 and name   HN)   3.045    1.245    1.245  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.255    0.455    0.455  
assign (resid   8 and name  HB1)   (resid  12 and name   HA)   2.935    1.135    1.135  
assign (resid   8 and name  HB2)   (resid  12 and name   HA)   2.935    1.135    1.135  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.225    0.425    0.425  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.595    0.795    0.795  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.595    0.795    0.795  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.705    0.905    0.905  
assign (resid  13 and name  HB1)   (resid  16 and name   HN)   2.750    0.950    0.950  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.705    0.905    0.905  
assign (resid  13 and name  HB2)   (resid  16 and name   HN)   2.750    0.950    0.950  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.595    0.795    0.795  
assign (resid  16 and name   HA)   (resid  20 and name   HN)   2.625    0.825    0.825  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.520    0.720    0.720  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.900    1.100    1.100  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   3.285    1.485    1.485  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.580    0.780    0.780  
assign (resid  18 and name   HA)   (resid  18 and name   HB)   2.350    0.550    0.550  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.565    0.765    0.765  
assign (resid  18 and name   HN)   (resid  18 and name   HB)   2.670    0.870    0.870  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.550    0.750    0.750  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.455    0.655    0.655  
assign (resid  18 and name   HN)   (resid  20 and name   HN)   2.690    0.890    0.890  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.145    0.345    0.345  
assign (resid  20 and name   HA)   (resid  28 and name   HN)   3.010    1.210    1.210  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.690    0.890    0.890  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   2.815    1.015    1.015  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.690    0.890    0.890  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   2.815    1.015    1.015  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.565    0.765    0.765  
assign (resid  21 and name   HN)   (resid  28 and name   HN)   2.365    0.565    0.565  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   3.070    1.270    1.270  
assign (resid  21 and name  HB#)   (resid  23 and name   HN)   3.690    1.890    1.890  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.160    0.360    0.360  
assign (resid  22 and name   HA)   (resid  26 and name   HN)   3.060    1.260    1.260  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.790    0.990    0.990  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   3.220    1.420    1.420  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.285    0.485    0.485  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.925    1.125    1.125  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.565    1.765    1.765  
assign (resid   8 and name   HN)   (resid  25 and name   HA)   2.550    0.750    0.750  
assign (resid  25 and name   HN)   (resid  25 and name   HA)   2.225    0.425    0.425  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.595    0.795    0.795  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.955    1.155    1.155  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.090    1.290    1.290  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.955    1.155    1.155  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.090    1.290    1.290  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.860    1.060    1.060  
assign (resid   8 and name   HN)   (resid  26 and name   HA)   2.485    0.685    0.685  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.180    0.380    0.380  
assign (resid  23 and name   HN)   (resid  26 and name   HB)   2.935    1.135    1.135  
assign (resid  26 and name   HN)   (resid  26 and name   HB)   2.315    0.515    0.515  
assign (resid  26 and name   HB)   (resid  27 and name   HN)   2.955    1.155    1.155  
assign (resid  23 and name   HN)   (resid  26 and name   HN)   2.520    0.720    0.720  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.565    0.765    0.765  
assign (resid  21 and name   HN)   (resid  27 and name   HA)   2.935    1.135    1.135  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.100    0.300    0.300  
assign (resid  23 and name   HN)   (resid  27 and name   HN)   2.985    1.185    1.185  
assign (resid   3 and name   HA)   (resid  28 and name   HA)   2.425    0.625    0.625  
assign (resid   4 and name   HN)   (resid  28 and name   HA)   2.365    0.565    0.565  
assign (resid  28 and name   HA)   (resid  28 and name  HB1)   2.410    0.610    0.610  
assign (resid  28 and name   HA)   (resid  28 and name  HB2)   2.410    0.610    0.610  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.130    0.330    0.330  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.705    0.905    0.905  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.705    0.905    0.905  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.690    0.890    0.890  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   2.750    0.950    0.950  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.610    0.810    0.810  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.610    0.810    0.810  
assign (resid   1 and name   HN)   (resid  30 and name   HA)   2.475    0.675    0.675  
assign (resid  30 and name   HN)   (resid  30 and name   HA)   2.350    0.550    0.550  
assign (resid   2 and name   HB)   (resid  29 and name   HN)   3.075    1.275    1.275  
assign (resid   2 and name   HN)   (resid   2 and name HG13)   2.625    0.825    0.825  
assign (resid   2 and name   HN)   (resid   2 and name HG12)   2.625    0.825    0.825  
assign (resid   6 and name   HA)   (resid   6 and name  HG1)   2.735    0.935    0.935  
assign (resid   6 and name   HA)   (resid   6 and name  HG2)   2.735    0.935    0.935  
assign (resid   6 and name   HN)   (resid   6 and name  HG1)   3.650    1.850    1.850  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.285    1.485    1.485  
assign (resid   6 and name   HN)   (resid   6 and name  HG2)   3.650    1.850    1.850  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.140    1.340    1.340  
assign (resid   8 and name  HB1)   (resid  13 and name   HN)   3.555    1.755    1.755  
assign (resid   8 and name  HB2)   (resid  13 and name   HN)   3.555    1.755    1.755  
assign (resid  10 and name   HA)   (resid  10 and name  HE3)   2.895    1.095    1.095  
assign (resid  10 and name   HN)   (resid  10 and name  HD1)   3.465    1.665    1.665  
assign (resid  10 and name   HN)   (resid  10 and name  HE3)   3.525    1.725    1.725  
assign (resid  16 and name  HB#)   (resid  18 and name HG1#)   4.530    2.730    2.730  
assign (resid  18 and name   HN)   (resid  18 and name HG1#)   3.270    1.470    1.470  
assign (resid  18 and name HG1#)   (resid  19 and name   HN)   4.090    2.290    2.290  
assign (resid  20 and name   HA)   (resid  29 and name  HB1)   3.060    1.260    1.260  
assign (resid  20 and name   HA)   (resid  29 and name  HB2)   3.060    1.260    1.260  
assign (resid  23 and name  HD1)   (resid  28 and name  HD2)   3.650    1.850    1.850  
assign (resid  23 and name  HD2)   (resid  28 and name  HD2)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   4.090    2.290    2.290  
assign (resid  23 and name  HG#)   (resid  24 and name   HN)   4.090    2.290    2.290  
assign (resid  23 and name  HG#)   (resid  28 and name  HD2)   4.090    2.290    2.290  
assign (resid   9 and name   HA)   (resid  25 and name  HG#)   3.455    1.655    1.655  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   3.505    1.705    1.705  
assign (resid  25 and name  HG#)   (resid  26 and name   HN)   4.090    2.290    2.290  
assign (resid   1 and name   HN)   (resid  28 and name  HB1)   2.935    1.135    1.135  
assign (resid  21 and name   HN)   (resid  28 and name  HB1)   3.525    1.725    1.725  
assign (resid   1 and name   HN)   (resid  28 and name  HB2)   2.935    1.135    1.135  
assign (resid  21 and name   HN)   (resid  28 and name  HB2)   3.525    1.725    1.725  
assign (resid  26 and name   HN)   (resid  28 and name  HD1)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  28 and name  HD2)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid  28 and name  HD2)   3.400    1.600    1.600  
assign (resid   4 and name   HN)   (resid  28 and name  HD2)   3.650    1.850    1.850  
assign (resid  28 and name  HD2)   (resid  29 and name   HN)   3.260    1.460    1.460  
assign (resid  29 and name  HB1)   (resid  29 and name   HE)   3.245    1.445    1.445  
assign (resid  29 and name  HB2)   (resid  29 and name   HE)   3.245    1.445    1.445  
assign (resid  29 and name   HN)   (resid  29 and name  HG1)   3.325    1.525    1.525  
assign (resid  29 and name  HG1)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  29 and name   HN)   (resid  29 and name  HG2)   3.325    1.525    1.525  
assign (resid  29 and name  HG2)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name HD1#)   3.835    2.035    2.035  
assign (resid   2 and name   HN)   (resid   2 and name HG2#)   3.570    1.770    1.770  
assign (resid   9 and name   HN)   (resid   9 and name HG1#)   3.630    1.830    1.830  
assign (resid   9 and name HG1#)   (resid  10 and name  HD1)   4.130    2.330    2.330  
assign (resid   9 and name HG1#)   (resid  10 and name   HN)   3.925    2.125    2.125  
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   3.630    1.830    1.830  
assign (resid   9 and name HG2#)   (resid  10 and name  HD1)   4.130    2.330    2.330  
assign (resid   9 and name HG2#)   (resid  10 and name   HN)   3.925    2.125    2.125  
assign (resid  11 and name   HN)   (resid  11 and name HD1#)   4.065    2.265    2.265  
assign (resid  10 and name  HD1)   (resid  11 and name HG2#)   4.160    2.360    2.360  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   3.165    1.365    1.365  
assign (resid  16 and name   HN)   (resid  17 and name  HB#)   4.160    2.360    2.360  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.825    1.025    1.025  
assign (resid  16 and name  HB#)   (resid  18 and name HD1#)   4.370    2.570    2.570  
assign (resid  18 and name   HN)   (resid  18 and name HD1#)   3.015    1.215    1.215  
assign (resid  18 and name HD1#)   (resid  19 and name   HN)   3.310    1.510    1.510  
assign (resid  18 and name   HN)   (resid  18 and name HG2#)   3.260    1.460    1.460  
assign (resid   1 and name   HN)   (resid   1 and name  HA#)   2.110    0.310    0.310  
assign (resid   1 and name   HN)   (resid  30 and name  HB#)   3.210    1.410    1.410  
assign (resid   1 and name  HA#)   (resid   2 and name   HN)   2.455    0.655    0.655  
assign (resid   1 and name  HA#)   (resid  28 and name  HB#)   2.985    1.185    1.185  
assign (resid   1 and name  HA#)   (resid  28 and name  HD2)   3.090    1.290    1.290  
assign (resid   2 and name   HN)   (resid  28 and name  HB#)   2.915    1.115    1.115  
assign (resid   2 and name   HA)   (resid   3 and name  HD#)   2.225    0.425    0.425  
assign (resid   2 and name HG2#)   (resid   3 and name  HD#)   2.815    1.015    1.015  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.635    0.835    0.835  
assign (resid   3 and name  HB#)   (resid   5 and name   HN)   2.725    0.925    0.925  
assign (resid   3 and name  HG#)   (resid   4 and name   HN)   3.210    1.410    1.410  
assign (resid   3 and name  HG#)   (resid   5 and name   HN)   3.135    1.335    1.335  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.225    0.425    0.425  
assign (resid   4 and name   HN)   (resid  26 and name  HG*)   4.110    2.310    2.310  
assign (resid   4 and name   HN)   (resid  27 and name  HB#)   3.515    1.715    1.715  
assign (resid   4 and name   HA)   (resid   4 and name  HB#)   2.135    0.335    0.335  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.580    0.780    0.780  
assign (resid   5 and name   HN)   (resid   5 and name  HA#)   2.155    0.355    0.355  
assign (resid   5 and name  HA#)   (resid   6 and name   HN)   2.395    0.595    0.595  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.395    0.595    0.595  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.300    1.500    1.500  
assign (resid   6 and name   HN)   (resid  26 and name  HG*)   4.110    2.310    2.310  
assign (resid   6 and name   HN)   (resid  27 and name  HB#)   2.650    0.850    0.850  
assign (resid   6 and name   HA)   (resid   6 and name  HB#)   2.170    0.370    0.370  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.470    0.670    0.670  
assign (resid   6 and name  HB#)   (resid  27 and name  HB#)   2.745    0.945    0.945  
assign (resid   6 and name  HG#)   (resid   7 and name   HN)   2.825    1.025    1.025  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.285    0.485    0.485  
assign (resid   7 and name  HB#)   (resid   9 and name   HN)   3.030    1.230    1.230  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.675    0.875    0.875  
assign (resid   8 and name   HN)   (resid   9 and name  HG*)   3.485    1.685    1.685  
assign (resid   8 and name   HN)   (resid  25 and name  HB#)   3.485    1.685    1.685  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.005    1.205    1.205  
assign (resid   8 and name  HB#)   (resid  12 and name   HA)   2.560    0.760    0.760  
assign (resid   8 and name  HB#)   (resid  13 and name   HN)   3.155    1.355    1.355  
assign (resid   9 and name   HN)   (resid   9 and name  HG*)   2.935    1.135    1.135  
assign (resid   9 and name   HA)   (resid  25 and name  HB#)   2.735    0.935    0.935  
assign (resid   9 and name  HG*)   (resid  10 and name   HN)   3.375    1.575    1.575  
assign (resid   9 and name  HG*)   (resid  10 and name  HD1)   3.495    1.695    1.695  
assign (resid   9 and name  HG*)   (resid  10 and name  HE1)   4.110    2.310    2.310  
assign (resid  10 and name   HA)   (resid  10 and name  HB#)   2.215    0.415    0.415  
assign (resid  10 and name  HB#)   (resid  10 and name  HE3)   2.710    0.910    0.910  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.475    0.675    0.675  
assign (resid  10 and name  HB#)   (resid  11 and name HG2#)   4.045    2.245    2.245  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   2.695    0.895    0.895  
assign (resid  11 and name HG2#)   (resid  12 and name  HD#)   3.295    1.495    1.495  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.270    0.470    0.470  
assign (resid  13 and name   HN)   (resid  27 and name  HB#)   3.120    1.320    1.320  
assign (resid  19 and name   HN)   (resid  19 and name  HA#)   2.190    0.390    0.390  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.290    0.490    0.490  
assign (resid  20 and name   HN)   (resid  29 and name  HG#)   3.265    1.465    1.465  
assign (resid  20 and name   HA)   (resid  20 and name  HB#)   2.215    0.415    0.415  
assign (resid  20 and name   HA)   (resid  29 and name  HB#)   2.630    0.830    0.830  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.405    0.605    0.605  
assign (resid  20 and name  HB#)   (resid  28 and name   HN)   3.165    1.365    1.365  
assign (resid  21 and name   HN)   (resid  28 and name  HB#)   3.205    1.405    1.405  
assign (resid  21 and name   HN)   (resid  29 and name  HB#)   3.570    1.770    1.770  
assign (resid  23 and name   HN)   (resid  23 and name  HD#)   3.280    1.480    1.480  
assign (resid  23 and name  HD#)   (resid  28 and name  HD2)   3.260    1.460    1.460  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.500    0.700    0.700  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.800    1.000    1.000  
assign (resid  24 and name  HB#)   (resid  25 and name  HG#)   3.970    2.170    2.170  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.690    0.890    0.890  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.790    0.990    0.990  
assign (resid  26 and name  HG*)   (resid  27 and name   HN)   2.980    1.180    1.180  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.195    0.395    0.395  
assign (resid  27 and name   HA)   (resid  27 and name  HB#)   2.215    0.415    0.415  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.195    0.395    0.395  
assign (resid  28 and name   HA)   (resid  28 and name  HB#)   2.200    0.400    0.400  
assign (resid  28 and name  HB#)   (resid  28 and name  HD2)   2.235    0.435    0.435  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.325    0.525    0.525  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.315    0.515    0.515  
assign (resid  29 and name   HN)   (resid  29 and name  HG#)   2.955    1.155    1.155  
assign (resid  29 and name  HB#)   (resid  29 and name   HE)   2.930    1.130    1.130  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.675    0.875    0.875  
assign (resid  28 and name   HA)   (resid  28 and name  HD2)   2.710    0.910    0.910  
assign (resid   4 and name   HA)   (resid  29 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.080    1.280    1.280  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.735    0.935    0.935  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.735    0.935    0.935  
assign (resid  27 and name   HA)   (resid  27 and name  HB1)   2.410    0.610    0.610  
assign (resid  27 and name   HA)   (resid  27 and name  HB2)   2.410    0.610    0.610  
assign (resid   8 and name   HN)   (resid  27 and name   HN)   2.610    0.810    0.810  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   3.080    1.280    1.280  
assign (resid   2 and name   HA)   (resid  28 and name  HD2)   3.170    1.370    1.370  
assign (resid   3 and name   HA)   (resid  28 and name  HD1)   3.170    1.370    1.370  
assign (resid  13 and name  HB1)   (resid  16 and name  HB#)   4.090    2.290    2.290  
assign (resid  13 and name  HB2)   (resid  16 and name  HB#)   4.090    2.290    2.290  
assign (resid  23 and name   HN)   (resid  28 and name  HD1)   3.420    1.620    1.620  
assign (resid  15 and name   HA)   (resid  18 and name HD1#)   3.185    1.385    1.385  
assign (resid  15 and name  HB1)   (resid  18 and name HD1#)   3.585    1.785    1.785  
assign (resid  15 and name  HB2)   (resid  18 and name HD1#)   3.585    1.785    1.785  
assign (resid  18 and name HG2#)   (resid  29 and name   HE)   4.160    2.360    2.360  
assign (resid  26 and name HG1#)   (resid  28 and name  HD1)   3.495    1.695    1.695  
assign (resid  26 and name HG2#)   (resid  28 and name  HD1)   3.495    1.695    1.695  
assign (resid  26 and name HG1#)   (resid  28 and name  HD2)   4.265    2.465    2.465  
assign (resid  26 and name HG2#)   (resid  28 and name  HD2)   4.265    2.465    2.465  
assign (resid   3 and name   HA)   (resid  26 and name  HG*)   4.110    2.310    2.310  
assign (resid   3 and name  HB#)   (resid  26 and name  HG*)   3.115    1.315    1.315  
assign (resid   3 and name  HB#)   (resid  28 and name  HD1)   3.150    1.350    1.350  
assign (resid   3 and name  HB#)   (resid  28 and name  HD2)   3.150    1.350    1.350  
assign (resid   3 and name  HG#)   (resid  26 and name  HG*)   3.525    1.725    1.725  
assign (resid   3 and name  HG#)   (resid  28 and name  HD1)   3.100    1.300    1.300  
assign (resid   3 and name  HG#)   (resid  28 and name  HD2)   3.100    1.300    1.300  
assign (resid   7 and name  HB#)   (resid   9 and name  HG*)   3.200    1.400    1.400  
assign (resid   9 and name  HG*)   (resid  10 and name  HZ2)   4.050    2.250    2.250  
assign (resid   9 and name  HG*)   (resid  25 and name  HB#)   2.900    1.100    1.100  
assign (resid   9 and name  HG*)   (resid  25 and name  HE#)   4.530    2.730    2.730  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.480    0.680    0.680  
assign (resid  15 and name  HB#)   (resid  18 and name HD1#)   3.175    1.375    1.375  
assign (resid  15 and name  HB#)   (resid  20 and name  HB#)   3.370    1.570    1.570  
assign (resid  16 and name  HB#)   (resid  20 and name  HB#)   3.980    2.180    2.180  
assign (resid  19 and name  HA#)   (resid  29 and name  HG#)   3.000    1.200    1.200  
assign (resid  19 and name  HA#)   (resid  29 and name  HD#)   3.095    1.295    1.295  
assign (resid  20 and name  HB#)   (resid  27 and name  HB#)   2.350    0.550    0.550  
assign (resid  26 and name   HN)   (resid  26 and name  HG*)   3.075    1.275    1.275  
assign (resid  26 and name  HG*)   (resid  28 and name  HD1)   3.395    1.595    1.595  
assign (resid  26 and name  HG*)   (resid  28 and name  HD2)   3.395    1.595    1.595  



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, May 14, 2024 11:34:52 AM GMT (wattos1)