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
12420 1sy9 5480 cing 1-original 1 XPLOR/CNS distance NOE simple



assign (resid 6 and name HN) (resid 5 and name HA) 2.700 0.9 0.5 !    .132
assign (resid 6 and name HN) (resid 5 and name HB) 3.300 1.5 0.5 !   .131
assign (resid 6 and name HN) (resid 5 and name HG2#) 6.000 4.2 0.5 !    .138
assign (resid 6 and name HN) (resid 6 and name HA) 2.700 0.9 0.5 !    .133
assign (resid 6 and name HN) (resid 6 and name HB2) 2.700 0.9 0.5 !    .136
assign (resid 6 and name HN) (resid 6 and name HG#) 2.700 0.9 0.5 !    .135
assign (resid 7 and name HN) (resid 5 and name HA) 3.300 1.5 0.5 !    .141
assign (resid 7 and name HN) (resid 5 and name HB) 4.000 2.2 0.5 !    .140
assign (resid 7 and name HN) (resid 5 and name HG2#) 6.000 4.2 0.5 !    .147
assign (resid 7 and name HN) (resid 6 and name HB2) 6.000 4.2 0.5 !    .144
assign (resid 7 and name HN) (resid 6 and name HN) 3.300 1.5 0.5 !    .127
assign (resid 7 and name HN) (resid 7 and name HG#) 2.700 0.9 0.5 !    .143
assign (resid 6 and name HN) (resid 8 and name HN) 6.000 4.2 0.5 !    .130
assign (resid 7 and name HN) (resid 8 and name HB1) 6.000 4.2 0.5 !    .145
assign (resid 7 and name HN) (resid 8 and name HN) 2.700 0.9 0.5 !    .128
!assign (resid 8 and name HN) (resid 7 and name HN) 2.700 0.9 0.5 !    .149
assign (resid 8 and name HN) (resid 8 and name HA) 2.700 0.9 0.5 !    .150
assign (resid 8 and name HN) (resid 8 and name HB1) 4.000 2.2 0.5 !    .152
assign (resid 8 and name HN) (resid 8 and name HG#) 2.700 0.9 0.5 !    .151
assign (resid 6 and name HN) (resid 9 and name HD1#) 6.000 4.2 0.5 !    .139
assign (resid 6 and name HN) (resid 4 and name HB1) 6.000 4.2 0.5 !    .137
assign (resid 9 and name HN) (resid 6 and name HA) 3.300 1.5 0.5 !    .157
assign (resid 9 and name HN) (resid 7 and name HN) 5.000 3.2 0.5 !    .154
assign (resid 9 and name HN) (resid 8 and name HB2) 2.700 0.9 0.5 !    .159
assign (resid 8 and name HN) (resid 9 and name HN) 2.700 0.9 0.5 !    .148
!assign (resid 9 and name HN) (resid 8 and name HN) 2.700 0.9 0.5 !    .156
assign (resid 9 and name HN) (resid 9 and name HA) 3.300 1.5 0.5 !    .158
assign (resid 9 and name HN) (resid 9 and name HB) 2.700 0.9 0.5 !    .160
assign (resid 9 and name HN) (resid 9 and name HD1#) 5.000 3.2 0.5 !    .164
assign (resid 9 and name HN) (resid 9 and name HG11) 2.700 0.9 0.5 !    .163
assign (resid 9 and name HN) (resid 9 and name HG12) 2.700 0.9 0.5 !    .161
!assign (resid 7 and name HN) (resid 10 and name HB#) 6.000 4.2 0.5 !    .146
assign (resid 10 and name HN) (resid 7 and name HA) 4.000 2.2 0.5 !    .791
assign (resid 10 and name HN) (resid 12 and name HN) 5.000 3.2 0.5 !    .166
assign (resid 10 and name HN) (resid 11 and name HG1) 6.000 4.2 0.5 !    .171
!assign (resid 9 and name HN) (resid 10 and name HB#) 6.000 4.2 0.5 !    .162
assign (resid 10 and name HN) (resid 9 and name HA) 3.300 1.5 0.5 !    .170
assign (resid 10 and name HN) (resid 9 and name HB) 2.700 0.9 0.5 !    .172
assign (resid 10 and name HN) (resid 9 and name HD1#) 6.000 4.2 0.5 !    .175
assign (resid 10 and name HN) (resid 9 and name HG11) 4.000 2.2 0.5 !    .174
!assign (resid 9 and name HN) (resid 10 and name HN) 2.700 0.9 0.5 !    .155
assign (resid 10 and name HN) (resid 9 and name HN) 3.300 1.5 0.5 !    .167
assign (resid 10 and name HN) (resid 10 and name HA) 2.700 0.9 0.5 !    .169
assign (resid 10 and name HN) (resid 10 and name HB#) 2.700 0.9 0.5 !    .173
assign (resid 11 and name HN) (resid 8 and name HA) 3.300 1.5 0.5 !    .180
assign (resid 11 and name HN) (resid 9 and name HG1#) 6.000 4.2 0.5 !    .186
assign (resid 11 and name HN) (resid 10 and name HB#) 3.300 1.5 0.5 !    .185
!assign (resid 10 and name HN) (resid 11 and name HN) 2.700 0.9 0.5 !    .168
assign (resid 11 and name HN) (resid 10 and name HN) 2.700 0.9 0.5 !    .178
assign (resid 11 and name HN) (resid 11 and name HA) 2.700 0.9 0.5 !    .179
assign (resid 11 and name HN) (resid 11 and name HB1) 2.700 0.9 0.5 !    .183
assign (resid 11 and name HN) (resid 11 and name HB2) 2.700 0.9 0.5 !    .184
assign (resid 11 and name HN) (resid 11 and name HG1) 3.300 1.5 0.5 !    .182
assign (resid 12 and name HN) (resid 9 and name HA) 3.300 1.5 0.5 !    .792
assign (resid 12 and name HN) (resid 13 and name HG1) 6.000 4.2 0.5 !    .22
assign (resid 12 and name HN) (resid 10 and name HB#) 6.000 4.2 0.5 !    .21
assign (resid 11 and name HN) (resid 12 and name HB2) 6.000 4.2 0.5 !    .181
assign (resid 12 and name HN) (resid 11 and name HA) 3.300 1.5 0.5 !    .17
assign (resid 12 and name HN) (resid 11 and name HB1) 2.700 0.9 0.5 !    .19
assign (resid 12 and name HN) (resid 11 and name HB2) 6.000 4.2 0.5 !    .20
assign (resid 12 and name HN) (resid 11 and name HN) 2.700 0.9 0.5 !    .13
!assign (resid 11 and name HN) (resid 12 and name HN) 2.700 0.9 0.5 !    .177
assign (resid 12 and name HN) (resid 12 and name HA) 2.700 0.9 0.5 !    .16
assign (resid 12 and name HN) (resid 12 and name HB#) 2.700 0.9 0.5 !    .18
assign (resid 12 and name HN) (resid 12 and name HD#) 3.300 1.5 0.5 !    .15
assign (resid 13 and name HN) (resid 10 and name HA) 2.700 0.9 0.5 !    .34
assign (resid 11 and name HN) (resid 13 and name HN) 6.000 4.2 0.5 !    .176
assign (resid 13 and name HN) (resid 12 and name HB1) 3.300 1.5 0.5 !    .28
assign (resid 13 and name HN) (resid 12 and name HB2) 3.300 1.5 0.5 !    .33
assign (resid 13 and name HN) (resid 65 and name HE#) 6.000 4.2 0.5 !    .26
!assign (resid 12 and name HN) (resid 13 and name HN) 2.700 0.9 0.5 !    .12
assign (resid 13 and name HN) (resid 12 and name HN) 3.300 1.5 0.5 !    .24
assign (resid 13 and name HN) (resid 13 and name HA) 2.700 0.9 0.5 !    .27
assign (resid 13 and name HN) (resid 13 and name HB1) 2.700 0.9 0.5 !    .29
assign (resid 13 and name HN) (resid 13 and name HB2) 2.700 0.9 0.5 !    .30
assign (resid 13 and name HN) (resid 13 and name HG1) 6.000 4.2 0.5 !    .32
assign (resid 13 and name HN) (resid 13 and name HG2) 5.000 3.2 0.5 !    .31
assign (resid 14 and name HN) (resid 11 and name HA) 3.300 1.5 0.5 !    .793
assign (resid 14 and name HN) (resid 12 and name HA) 6.000 4.2 0.5 !    .192
assign (resid 12 and name HN) (resid 14 and name HN) 5.000 3.2 0.5 !    .14
assign (resid 14 and name HN) (resid 13 and name HB#) 2.700 0.9 0.5 !    .198
assign (resid 14 and name HN) (resid 13 and name HG2) 3.300 1.5 0.5 !    .200
!assign (resid 13 and name HN) (resid 14 and name HN) 2.700 0.9 0.5 !    .25
assign (resid 14 and name HN) (resid 13 and name HN) 2.700 0.9 0.5 !    .187
assign (resid 14 and name HN) (resid 14 and name HA) 2.700 0.9 0.5 !    .194
assign (resid 14 and name HN) (resid 14 and name HB#) 2.700 0.9 0.5 !    .197
!assign (resid 15 and name HN) (resid 11 and name HN) 6.000 4.2 0.5 !    .204
assign (resid 15 and name HN) (resid 12 and name HA) 3.300 1.5 0.5 !    .206
assign (resid 15 and name HN) (resid 13 and name HN) 6.000 4.2 0.5 !    .202
assign (resid 15 and name HN) (resid 14 and name HB2) 2.700 0.9 0.5 !    .209
assign (resid 15 and name HN) (resid 15 and name HA) 2.700 0.9 0.5 !    .207
assign (resid 15 and name HN) (resid 15 and name HB#) 2.700 0.9 0.5 !    .210
assign (resid 16 and name HN) (resid 13 and name HA) 3.300 1.5 0.5 !    .212
assign (resid 14 and name HN) (resid 16 and name HN) 6.000 4.2 0.5 !    .189
assign (resid 15 and name HN) (resid 16 and name HB1) 6.000 4.2 0.5 !    .208
assign (resid 15 and name HN) (resid 12 and name HD1) 6.000 4.2 0.5 !    .205
assign (resid 16 and name HN) (resid 15 and name HB#) 2.700 0.9 0.5 !    .216
assign (resid 16 and name HN) (resid 15 and name HN) 2.700 0.9 0.5 !    .38
!assign (resid 15 and name HN) (resid 16 and name HN) 2.700 0.9 0.5 !    .203
assign (resid 16 and name HN) (resid 16 and name HA) 2.700 0.9 0.5 !    .213
assign (resid 16 and name HN) (resid 16 and name HB#) 2.700 0.9 0.5 !    .214
assign (resid 16 and name HN) (resid 19 and name HN) 5.000 3.2 0.5 !    .36
assign (resid 16 and name HN) (resid 16 and name HD1) 6.000 4.2 0.5 !    .37
assign (resid 17 and name HN) (resid 14 and name HA) 4.000 2.2 0.5 !    .794
assign (resid 17 and name HN) (resid 15 and name HB#) 6.000 4.2 0.5 !    .224
assign (resid 17 and name HN) (resid 16 and name HB1) 2.700 0.9 0.5 !    .222
assign (resid 17 and name HN) (resid 16 and name HB2) 3.300 1.5 0.5 !    .223
assign (resid 17 and name HN) (resid 16 and name HD#) 6.000 4.2 0.5 !    .220
!assign (resid 16 and name HN) (resid 17 and name HN) 2.700 0.9 0.5 !    .35
assign (resid 17 and name HN) (resid 16 and name HN) 3.300 1.5 0.5 !    .217
assign (resid 17 and name HN) (resid 17 and name HB#) 2.700 0.9 0.5 !    .221
!assign (resid 15 and name HN) (resid 18 and name HB1) 6.000 4.2 0.5 !    .211
assign (resid 18 and name HN) (resid 15 and name HA) 3.300 1.5 0.5 !    .228
assign (resid 18 and name HN) (resid 16 and name HA) 6.000 4.2 0.5 !    .230
assign (resid 17 and name HN) (resid 18 and name HB1) 6.000 4.2 0.5 !    .225
!assign (resid 17 and name HN) (resid 18 and name HN) 2.700 0.9 0.5 !    .218
assign (resid 18 and name HN) (resid 17 and name HN) 2.700 0.9 0.5 !    .226
assign (resid 18 and name HN) (resid 18 and name HA) 2.700 0.9 0.5 !    .229
assign (resid 18 and name HN) (resid 18 and name HB1) 2.700 0.9 0.5 !    .231
assign (resid 18 and name HN) (resid 18 and name HB2) 2.700 0.9 0.5 !    .233
assign (resid 18 and name HN) (resid 18 and name HD1#) 6.000 4.2 0.5 !    .235
assign (resid 18 and name HN) (resid 18 and name HD2#) 6.000 4.2 0.5 !    .234
assign (resid 18 and name HN) (resid 18 and name HG) 5.000 3.2 0.5 !    .232
assign (resid 16 and name HN) (resid 19 and name HB2) 6.000 4.2 0.5 !    .215
assign (resid 19 and name HN) (resid 16 and name HA) 6.000 4.2 0.5 !    .238
assign (resid 17 and name HN) (resid 19 and name HN) 5.000 3.2 0.5 !    .219
assign (resid 19 and name HN) (resid 18 and name HA) 3.300 1.5 0.5 !    .237
assign (resid 19 and name HN) (resid 18 and name HB1) 3.300 1.5 0.5 !    .242
assign (resid 19 and name HN) (resid 18 and name HB2) 3.300 1.5 0.5 !    .243
assign (resid 19 and name HN) (resid 18 and name HD2#) 6.000 4.2 0.5 !    .244
assign (resid 19 and name HN) (resid 18 and name HN) 2.700 0.9 0.5 !    .39
!assign (resid 18 and name HN) (resid 19 and name HN) 2.700 0.9 0.5 !    .227
assign (resid 19 and name HN) (resid 19 and name HA) 2.700 0.9 0.5 !    .236
assign (resid 19 and name HN) (resid 19 and name HB1) 2.700 0.9 0.5 !    .239
assign (resid 19 and name HN) (resid 19 and name HB2) 3.300 1.5 0.5 !    .240
assign (resid 20 and name HN) (resid 17 and name HA) 2.700 0.9 0.5 !    .249
assign (resid 20 and name HN) (resid 18 and name HN) 4.000 2.2 0.5 !    .246
assign (resid 19 and name HN) (resid 20 and name HB1) 6.000 4.2 0.5 !    .241
assign (resid 20 and name HN) (resid 19 and name HB#) 3.300 1.5 0.5 !    .251
!assign (resid 19 and name HN) (resid 20 and name HN) 2.700 0.9 0.5 !    .40
assign (resid 20 and name HN) (resid 19 and name HN) 2.700 0.9 0.5 !    .247
assign (resid 20 and name HN) (resid 20 and name HA) 2.700 0.9 0.5 !    .248
assign (resid 20 and name HN) (resid 20 and name HB1) 2.700 0.9 0.5 !    .252
assign (resid 20 and name HN) (resid 20 and name HB2) 2.700 0.9 0.5 !    .253
assign (resid 21 and name HN) (resid 20 and name HA) 3.300 1.5 0.5 !    .258
assign (resid 21 and name HN) (resid 21 and name HA) 2.700 0.9 0.5 !    .259
assign (resid 21 and name HN) (resid 21 and name HB#) 2.700 0.9 0.5 !    .262
assign (resid 21 and name HN) (resid 21 and name HG1) 3.300 1.5 0.5 !    .263
assign (resid 21 and name HN) (resid 21 and name HG2) 3.300 1.5 0.5 !    .264
assign (resid 22 and name HN) (resid 20 and name HB2) 5.000 3.2 0.5 !    .277
assign (resid 21 and name HN) (resid 22 and name HB#) 6.000 4.2 0.5 !    .260
assign (resid 22 and name HN) (resid 21 and name HA) 3.300 1.5 0.5 !    .270
assign (resid 22 and name HN) (resid 21 and name HB#) 5.000 3.2 0.5 !    .275
assign (resid 22 and name HN) (resid 21 and name HG#) 6.000 4.2 0.5 !    .276
!assign (resid 21 and name HN) (resid 22 and name HN) 3.300 1.5 0.5 !    .257
assign (resid 22 and name HN) (resid 21 and name HN) 6.000 4.2 0.5 !    .267
assign (resid 22 and name HN) (resid 22 and name HA) 2.700 0.9 0.5 !    .269
assign (resid 22 and name HN) (resid 22 and name HB1) 5.000 3.2 0.5 !    .272
assign (resid 22 and name HN) (resid 22 and name HB2) 2.700 0.9 0.5 !    .273
assign (resid 22 and name HN) (resid 23 and name HA#) 5.000 3.2 0.5 !    .271
assign (resid 23 and name HN) (resid 22 and name HA) 3.300 1.5 0.5 !    .280
assign (resid 23 and name HN) (resid 22 and name HB2) 6.000 4.2 0.5 !    .282
!assign (resid 22 and name HN) (resid 23 and name HN) 2.700 0.9 0.5 !    .268
assign (resid 23 and name HN) (resid 22 and name HN) 2.700 0.9 0.5 !    .279
assign (resid 23 and name HN) (resid 23 and name HA#) 2.700 0.9 0.5 !    .281
!assign (resid 22 and name HN) (resid 24 and name HN) 3.300 1.5 0.5 !    .266
assign (resid 24 and name HN) (resid 22 and name HN) 3.300 1.5 0.5 !    .285
assign (resid 24 and name HN) (resid 23 and name HA#) 2.700 0.9 0.5 !    .288
assign (resid 23 and name HN) (resid 24 and name HN) 3.300 1.5 0.5 !    .278
!assign (resid 24 and name HN) (resid 23 and name HN) 2.700 0.9 0.5 !    .286
assign (resid 24 and name HN) (resid 24 and name HA) 6.000 4.2 0.5 !    .287
assign (resid 24 and name HN) (resid 24 and name HB1) 2.700 0.9 0.5 !    .291
assign (resid 24 and name HN) (resid 24 and name HB2) 2.700 0.9 0.5 !    .290
assign (resid 25 and name HN) (resid 24 and name HB1) 6.000 4.2 0.5 !    .306
assign (resid 25 and name HN) (resid 17 and name HA) 6.000 4.2 0.5 !    .301
!assign (resid 25 and name HN) (resid 24 and name HB1) 4.000 2.2 0.5 !    .307
assign (resid 25 and name HN) (resid 23 and name HA#) 6.000 4.2 0.5 !    .302
assign (resid 25 and name HN) (resid 23 and name HN) 6.000 4.2 0.5 !    .296
assign (resid 24 and name HN) (resid 25 and name HA1) 6.000 4.2 0.5 !    .289
assign (resid 25 and name HN) (resid 24 and name HA) 3.300 1.5 0.5 !    .299
assign (resid 25 and name HN) (resid 24 and name HB2) 6.000 4.2 0.5 !    .305
!assign (resid 24 and name HN) (resid 25 and name HN) 2.700 0.9 0.5 !    .283
assign (resid 25 and name HN) (resid 24 and name HN) 2.700 0.9 0.5 !    .294
assign (resid 25 and name HN) (resid 25 and name HA1) 2.700 0.9 0.5 !    .303
assign (resid 25 and name HN) (resid 25 and name HA2) 2.700 0.9 0.5 !    .300
assign (resid 26 and name HN) (resid 20 and name HA) 6.000 4.2 0.5 !    .312
!assign (resid 24 and name HN) (resid 26 and name HG2#) 6.000 4.2 0.5 !    .293
assign (resid 24 and name HN) (resid 26 and name HN) 6.000 4.2 0.5 !    .284
assign (resid 25 and name HN) (resid 26 and name HA) 6.000 4.2 0.5 !    .298
assign (resid 26 and name HN) (resid 25 and name HA1) 3.300 1.5 0.5 !    .315
assign (resid 26 and name HN) (resid 25 and name HA2) 3.300 1.5 0.5 !    .313
!assign (resid 25 and name HN) (resid 26 and name HN) 2.700 0.9 0.5 !    .295
assign (resid 26 and name HN) (resid 25 and name HN) 2.700 0.9 0.5 !    .310
assign (resid 26 and name HN) (resid 26 and name HA) 2.700 0.9 0.5 !    .311
assign (resid 26 and name HN) (resid 26 and name HB) 6.000 4.2 0.5 !    .314
assign (resid 26 and name HN) (resid 26 and name HG2#) 3.300 1.5 0.5 !    .316
assign (resid 27 and name HN) (resid 16 and name HZ) 6.000 4.2 0.5 !    .1
!assign (resid 20 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.5 !    .256
assign (resid 20 and name HN) (resid 27 and name HG1#) 6.000 4.2 0.5 !    .254
!assign (resid 21 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.5 !    .265
assign (resid 27 and name HN) (resid 26 and name HA) 2.700 0.9 0.5 !    .2
assign (resid 27 and name HN) (resid 26 and name HB) 3.300 1.5 0.5 !    .6
assign (resid 27 and name HN) (resid 27 and name HA) 3.300 1.5 0.5 !    .3
assign (resid 27 and name HN) (resid 27 and name HB) 3.300 1.5 0.5 !    .8
assign (resid 27 and name HN) (resid 27 and name HG11) 3.300 1.5 0.5 !    .11
assign (resid 27 and name HN) (resid 27 and name HG12) 3.300 1.5 0.5 !    .9
assign (resid 28 and name HN) (resid 20 and name HA) 6.000 4.2 0.5 !    .322
assign (resid 28 and name HN) (resid 27 and name HA) 2.700 0.9 0.5 !    .321
assign (resid 28 and name HN) (resid 27 and name HB) 6.000 4.2 0.5 !    .326
assign (resid 28 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.5 !    .330
assign (resid 28 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.5 !    .327
assign (resid 28 and name HN) (resid 27 and name HN) 6.000 4.2 0.5 !    .317
assign (resid 29 and name HN) (resid 28 and name HA) 2.700 0.9 0.5 !    .332
assign (resid 28 and name HN) (resid 29 and name HN) 6.000 4.2 0.5 !    .318
assign (resid 29 and name HN) (resid 29 and name HA) 2.700 0.9 0.5 !    .335
assign (resid 29 and name HN) (resid 29 and name HB) 3.300 1.5 0.5 !    .334
assign (resid 29 and name HN) (resid 29 and name HG2#) 2.700 0.9 0.5 !    .337
assign (resid 30 and name HN) (resid 28 and name HB) 2.700 0.9 0.5 !    .343
assign (resid 29 and name HN) (resid 30 and name HB#) 6.000 4.2 0.5 !    .340
!assign (resid 29 and name HN) (resid 30 and name HN) 2.700 0.9 0.5 !    .331
assign (resid 30 and name HN) (resid 29 and name HN) 3.300 1.5 0.5 !    .341
assign (resid 30 and name HN) (resid 30 and name HA) 2.700 0.9 0.5 !    .344
!assign (resid 31 and name HN) (resid 20 and name HA) 6.000 4.2 0.5 !    .354
assign (resid 21 and name HN) (resid 31 and name HG#) 4.000 2.2 0.5 !    .261
!assign (resid 22 and name HN) (resid 31 and name HG2) 3.300 1.5 0.5 !    .274
!assign (resid 31 and name HN) (resid 19 and name HB#) 6.000 4.2 0.5 !    .356
assign (resid 31 and name HN) (resid 27 and name HG2#) 6.000 4.2 0.5 !    .360
assign (resid 28 and name HN) (resid 31 and name HB#) 4.000 2.2 0.5 !    .325
assign (resid 31 and name HN) (resid 28 and name HB) 3.300 1.5 0.5 !    .353
!assign (resid 28 and name HN) (resid 31 and name HN) 3.300 1.5 0.5 !    .319
assign (resid 31 and name HN) (resid 28 and name HN) 3.300 1.5 0.5 !    .351
assign (resid 31 and name HN) (resid 30 and name HB#) 2.700 0.9 0.5 !    .358
assign (resid 31 and name HN) (resid 31 and name HA) 2.700 0.9 0.5 !    .355
assign (resid 31 and name HN) (resid 31 and name HB#) 6.000 4.2 0.5 !    .357
assign (resid 32 and name HN) (resid 29 and name HA) 3.300 1.5 0.5 !    .365
assign (resid 31 and name HN) (resid 32 and name HB2) 5.000 3.2 0.5 !    .359
assign (resid 32 and name HN) (resid 31 and name HA) 3.300 1.5 0.5 !    .364
assign (resid 32 and name HN) (resid 31 and name HB2) 3.300 1.5 0.5 !    .367
!assign (resid 31 and name HN) (resid 32 and name HN) 2.700 0.9 0.5 !    .350
assign (resid 32 and name HN) (resid 31 and name HN) 2.700 0.9 0.5 !    .362
assign (resid 32 and name HN) (resid 32 and name HA) 2.700 0.9 0.5 !    .363
assign (resid 32 and name HN) (resid 32 and name HB1) 2.700 0.9 0.5 !    .368
assign (resid 32 and name HN) (resid 32 and name HB2) 2.700 0.9 0.5 !    .369
assign (resid 32 and name HN) (resid 32 and name HD1#) 6.000 4.2 0.5 !    .371
assign (resid 32 and name HN) (resid 32 and name HD2#) 6.000 4.2 0.5 !    .372
assign (resid 33 and name HN) (resid 30 and name HA) 5.000 3.2 0.5 !    .381
assign (resid 33 and name HN) (resid 32 and name HA) 3.300 1.5 0.5 !    .374
assign (resid 33 and name HN) (resid 32 and name HB1) 2.700 0.9 0.5 !    .377
assign (resid 33 and name HN) (resid 32 and name HB2) 4.000 2.2 0.5 !    .378
assign (resid 33 and name HN) (resid 32 and name HD1#) 6.000 4.2 0.5 !    .379
assign (resid 33 and name HN) (resid 32 and name HD2#) 6.000 4.2 0.5 !    .380
assign (resid 33 and name HN) (resid 33 and name HA1) 2.700 0.9 0.5 !    .376
assign (resid 33 and name HN) (resid 33 and name HA2) 2.700 0.9 0.5 !    .375
assign (resid 34 and name HN) (resid 32 and name HA) 3.300 1.5 0.5 !    .795
assign (resid 72 and name HN) (resid 72 and name HB2) 3.300 1.5 0.5 !    .389
assign (resid 34 and name HN) (resid 33 and name HA1) 2.700 0.9 0.5 !    .387
!assign (resid 33 and name HN) (resid 34 and name HN) 2.700 0.9 0.5 !    .373
assign (resid 34 and name HN) (resid 33 and name HN) 2.700 0.9 0.5 !    .383
assign (resid 34 and name HN) (resid 34 and name HA) 2.700 0.9 0.5 !    .386
assign (resid 34 and name HN) (resid 34 and name HB) 2.700 0.9 0.5 !    .385
assign (resid 34 and name HN) (resid 34 and name HG2#) 5.000 3.2 0.5 !    .388
assign (resid 35 and name HN) (resid 32 and name HA) 3.300 1.5 0.5 !    .799
assign (resid 35 and name HN) (resid 34 and name HA) 3.300 1.5 0.5 !    .800
assign (resid 35 and name HN) (resid 34 and name HB) 2.700 0.9 0.5 !    .798
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assign (resid 40 and name HN) (resid 40 and name HA1) 2.700 0.9 0.5 !    .450
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assign (resid 41 and name HN) (resid 37 and name HA) 2.700 0.9 0.5 !    .409
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assign (resid 46 and name HN) (resid 46 and name HA) 2.700 0.9 0.5 !    .496
assign (resid 46 and name HN) (resid 46 and name HB#) 2.700 0.9 0.5 !    .500
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assign (resid 45 and name HN) (resid 47 and name HN) 6.000 4.2 0.5 !    .479
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assign (resid 47 and name HN) (resid 46 and name HB#) 2.700 0.9 0.5 !    .510
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assign (resid 47 and name HN) (resid 47 and name HA) 2.700 0.9 0.5 !    .507
assign (resid 47 and name HN) (resid 47 and name HB1) 2.700 0.9 0.5 !    .509
assign (resid 47 and name HN) (resid 47 and name HB#) 6.000 4.2 0.5 !    .508
assign (resid 47 and name HN) (resid 47 and name HG1) 6.000 4.2 0.5 !    .513
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assign (resid 47 and name HN) (resid 48 and name HD1#) 6.000 4.2 0.5 !    .512
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assign (resid 48 and name HN) (resid 48 and name HG) 2.700 0.9 0.5 !    .519
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assign (resid 48 and name HN) (resid 48 and name HD1#) 5.000 3.2 0.5 !    .515
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assign (resid 49 and name HN) (resid 48 and name HG) 5.000 3.2 0.5 !    .530
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assign (resid 49 and name HN) (resid 49 and name HB1) 2.700 0.9 0.5 !    .529
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assign (resid 49 and name HN) (resid 49 and name HG1) 5.000 3.2 0.5 !    .533
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assign (resid 50 and name HN) (resid 49 and name HB1) 2.700 0.9 0.5 !    .543
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assign (resid 51 and name HN) (resid 50 and name HB1) 2.700 0.9 0.5 !    .568
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assign (resid 51 and name HN) (resid 51 and name HA) 2.700 0.9 0.5 !    .565
assign (resid 51 and name HN) (resid 51 and name HG1) 2.700 0.9 0.5 !    .569
assign (resid 51 and name HN) (resid 51 and name HG2) 2.700 0.9 0.5 !    .570
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assign (resid 52 and name HN) (resid 51 and name HB1) 6.000 4.2 0.5 !    .583
assign (resid 52 and name HN) (resid 51 and name HB2) 6.000 4.2 0.5 !    .584
assign (resid 52 and name HN) (resid 52 and name HA) 2.700 0.9 0.5 !    .580
assign (resid 52 and name HN) (resid 52 and name HB) 2.700 0.9 0.5 !    .582
assign (resid 52 and name HN) (resid 52 and name HG11) 2.700 0.9 0.5 !    .586
assign (resid 52 and name HN) (resid 52 and name HG12) 3.300 1.5 0.5 !    .585
assign (resid 52 and name HN) (resid 52 and name HG2#) 5.000 3.2 0.5 !    .590
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assign (resid 53 and name HN) (resid 52 and name HB) 2.700 0.9 0.5 !    .596
assign (resid 53 and name HN) (resid 52 and name HG11) 6.000 4.2 0.5 !    .598
assign (resid 53 and name HN) (resid 52 and name HG12) 6.000 4.2 0.5 !    .597
assign (resid 53 and name HN) (resid 52 and name HG2#) 6.000 4.2 0.5 !    .599
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assign (resid 53 and name HN) (resid 53 and name HA) 2.700 0.9 0.5 !    .593
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assign (resid 53 and name HN) (resid 53 and name HB2) 2.700 0.9 0.5 !    .595
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assign (resid 54 and name HN) (resid 53 and name HB1) 3.300 1.5 0.5 !    .605
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assign (resid 54 and name HN) (resid 54 and name HA) 2.700 0.9 0.5 !    .604
assign (resid 54 and name HN) (resid 54 and name HB1) 2.700 0.9 0.5 !    .606
assign (resid 54 and name HN) (resid 54 and name HB2) 2.700 0.9 0.5 !    .607
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assign (resid 55 and name HN) (resid 54 and name HG1) 6.000 4.2 0.5 !    .612
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assign (resid 56 and name HN) (resid 55 and name HB) 3.300 1.5 0.5 !    .624
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assign (resid 56 and name HN) (resid 56 and name HA) 2.700 0.9 0.5 !    .620
assign (resid 56 and name HN) (resid 56 and name HB1) 2.700 0.9 0.5 !    .623
assign (resid 56 and name HN) (resid 56 and name HB2) 2.700 0.9 0.5 !    .622
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assign (resid 57 and name HN) (resid 57 and name HB#) 2.700 0.9 0.5 !    .638
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assign (resid 59 and name HN) (resid 59 and name HA1) 2.700 0.9 0.5 !    .655
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assign (resid 60 and name HN) (resid 60 and name HA) 2.700 0.9 0.5 !    .662
assign (resid 60 and name HN) (resid 60 and name HB1) 2.700 0.9 0.5 !    .671
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assign (resid 61 and name HN) (resid 61 and name HA2) 2.700 0.9 0.5 !    .678
assign (resid 27 and name HN) (resid 62 and name HB) 6.000 4.2 0.5 !    .5
assign (resid 28 and name HN) (resid 31 and name HA) 6.000 4.2 0.5 !    .323
assign (resid 29 and name HN) (resid 28 and name HB) 6.000 4.2 0.5 !    .336
assign (resid 29 and name HN) (resid 48 and name HB2) 6.000 4.2 0.5 !    .338
assign (resid 62 and name HN) (resid 52 and name HG2#) 6.000 4.2 0.5 !    .692
assign (resid 62 and name HN) (resid 60 and name HB1) 6.000 4.2 0.5 !    .690
assign (resid 62 and name HN) (resid 60 and name HD22) 6.000 4.2 0.5 !    .685
assign (resid 62 and name HN) (resid 61 and name HA1) 2.700 0.9 0.5 !    .687
assign (resid 62 and name HN) (resid 61 and name HA2) 3.300 1.5 0.5 !    .689
!assign (resid 61 and name HN) (resid 62 and name HN) 2.700 0.9 0.5 !    .673
assign (resid 62 and name HN) (resid 61 and name HN) 2.700 0.9 0.5 !    .683
assign (resid 62 and name HN) (resid 62 and name HA) 2.700 0.9 0.5 !    .686
assign (resid 62 and name HN) (resid 62 and name HB) 3.300 1.5 0.5 !    .688
assign (resid 62 and name HN) (resid 62 and name HG2#) 3.300 1.5 0.5 !    .691
assign (resid 63 and name HN) (resid 26 and name HB) 6.000 4.2 0.5 !    .699
assign (resid 27 and name HN) (resid 63 and name HB) 3.300 1.5 0.5 !    .7
assign (resid 27 and name HN) (resid 27 and name HG2#) 6.000 4.2 0.5 !    .10
assign (resid 27 and name HN) (resid 63 and name HN) 3.300 1.5 0.5 !    .0
!assign (resid 63 and name HN) (resid 27 and name HN) 3.300 1.5 0.5 !    .693
assign (resid 63 and name HN) (resid 27 and name HA) 6.000 4.2 0.5 !    .695
assign (resid 63 and name HN) (resid 52 and name HG2#) 6.000 4.2 0.5 !    .703
!assign (resid 63 and name HN) (resid 56 and name HA) 6.000 4.2 0.5 !    .697
!assign (resid 61 and name HN) (resid 62 and name HG2#) 6.000 4.2 0.5 !    .682
assign (resid 63 and name HN) (resid 62 and name HA) 6.000 4.2 0.5 !    .696
assign (resid 63 and name HN) (resid 62 and name HB) 2.700 0.9 0.5 !    .698
assign (resid 63 and name HN) (resid 63 and name HD1#) 5.000 3.2 0.5 !    .704
assign (resid 62 and name HN) (resid 63 and name HN) 5.000 3.2 0.5 !    .684
assign (resid 63 and name HN) (resid 63 and name HA) 3.300 1.5 0.5 !    .694
assign (resid 63 and name HN) (resid 63 and name HB) 2.700 0.9 0.5 !    .700
assign (resid 63 and name HN) (resid 63 and name HG11) 3.300 1.5 0.5 !    .701
assign (resid 63 and name HN) (resid 63 and name HG12) 2.700 0.9 0.5 !    .702
!assign (resid 64 and name HN) (resid 26 and name HA) 6.000 4.2 0.5 !    .720
assign (resid 27 and name HN) (resid 64 and name HA) 6.000 4.2 0.5 !    .4
assign (resid 64 and name HN) (resid 63 and name HA) 2.700 0.9 0.5 !    .709
assign (resid 64 and name HN) (resid 63 and name HB) 4.000 1.2 0.5 !    .716
assign (resid 64 and name HN) (resid 63 and name HG1#) 6.000 4.2 0.5 !    .718
assign (resid 64 and name HN) (resid 63 and name HG2#) 3.300 1.5 0.5 !    .717
assign (resid 64 and name HN) (resid 64 and name HA) 3.300 1.5 0.5 !    .708
assign (resid 64 and name HN) (resid 64 and name HB1) 3.300 1.5 0.5 !    .712
assign (resid 64 and name HN) (resid 64 and name HB2) 3.300 1.5 0.5 !    .713
assign (resid 65 and name HN) (resid 16 and name HZ) 6.000 4.2 0.5 !    .41
assign (resid 65 and name HN) (resid 26 and name HG2#) 6.000 4.2 0.5 !    .51
assign (resid 65 and name HN) (resid 64 and name HA) 2.700 0.9 0.5 !    .44
assign (resid 65 and name HN) (resid 64 and name HB1) 2.700 0.9 0.5 !    .47
assign (resid 65 and name HN) (resid 65 and name HA) 3.300 1.5 0.5 !    .45
assign (resid 65 and name HN) (resid 65 and name HB1) 4.000 2.2 0.5 !    .49
assign (resid 65 and name HN) (resid 65 and name HB2) 2.700 0.9 0.5 !    .48
assign (resid 65 and name HN) (resid 16 and name HE#) 6.000 4.2 0.5 !    .42
assign (resid 65 and name HN) (resid 65 and name HD#) 6.000 4.2 0.5 !    .43
assign (resid 64 and name HN) (resid 66 and name HD#) 6.000 4.2 0.5 !    .711
assign (resid 65 and name HN) (resid 66 and name HD#) 2.700 0.9 0.5 !    .46
assign (resid 65 and name HN) (resid 66 and name HG2) 6.000 4.2 0.5 !    .50
!assign (resid 67 and name HN) (resid 55 and name HG2#) 6.000 4.2 0.5 !    .731
assign (resid 57 and name HN) (resid 67 and name HA) 6.000 4.2 0.5 !    .632
assign (resid 57 and name HN) (resid 67 and name HG2) 3.300 1.5 0.5 !    .636
!assign (resid 58 and name HN) (resid 67 and name HB1) 6.000 4.2 0.5 !    .650
assign (resid 67 and name HN) (resid 69 and name HB#) 6.000 4.2 0.5 !    .730
assign (resid 64 and name HN) (resid 67 and name HA) 6.000 4.2 0.5 !    .710
assign (resid 64 and name HN) (resid 67 and name HB1) 6.000 4.2 0.5 !    .715
assign (resid 64 and name HN) (resid 67 and name HB2) 2.700 0.9 0.5 !    .714
assign (resid 65 and name HN) (resid 67 and name HN) 6.000 4.2 0.5 !    .707
assign (resid 67 and name HN) (resid 64 and name HN) 3.300 1.5 0.5 !    .721
assign (resid 67 and name HN) (resid 66 and name HB2) 3.300 1.5 0.5 !    .729
assign (resid 67 and name HN) (resid 66 and name HD#) 6.000 4.2 0.5 !    .724
assign (resid 67 and name HN) (resid 66 and name HG1) 4.000 2.2 0.5 !    .728
assign (resid 67 and name HN) (resid 66 and name HG2) 3.300 1.5 0.5 !    .732
assign (resid 67 and name HN) (resid 67 and name HA) 2.700 0.9 0.5 !    .723
assign (resid 67 and name HN) (resid 67 and name HB2) 3.300 1.5 0.5 !    .726
assign (resid 67 and name HN) (resid 67 and name HB1) 3.300 1.5 0.5 !    .727
assign (resid 68 and name HN) (resid 63 and name HB) 5.000 3.2 0.5 !    .61
assign (resid 68 and name HN) (resid 63 and name HG2#) 3.300 1.5 0.5 !    .62
assign (resid 68 and name HN) (resid 64 and name HN) 6.000 4.2 0.5 !    .52
!assign (resid 64 and name HN) (resid 68 and name HN) 3.300 1.5 0.5 !    .706
assign (resid 68 and name HN) (resid 65 and name HA) 6.000 4.2 0.5 !    .63
assign (resid 68 and name HN) (resid 67 and name HA) 3.300 1.5 0.5 !    .56
assign (resid 68 and name HN) (resid 67 and name HB2) 3.300 1.5 0.5 !    .60
assign (resid 68 and name HN) (resid 67 and name HN) 2.700 0.9 0.5 !    .53
!assign (resid 67 and name HN) (resid 68 and name HN) 2.700 0.9 0.5 !    .722
assign (resid 68 and name HN) (resid 68 and name HA) 2.700 0.9 0.5 !    .57
assign (resid 68 and name HN) (resid 68 and name HB1) 2.700 0.9 0.5 !    .58
assign (resid 68 and name HN) (resid 68 and name HB2) 2.700 0.9 0.5 !    .59
assign (resid 68 and name HN) (resid 68 and name HD#) 5.000 3.2 0.5 !    .55
!assign (resid 9 and name HN) (resid 69 and name HD2#) 6.000 4.2 0.5 !    .165
assign (resid 69 and name HN) (resid 68 and name HA) 6.000 4.2 0.5 !    .738
assign (resid 69 and name HN) (resid 68 and name HD1) 6.000 4.2 0.5 !    .736
assign (resid 69 and name HN) (resid 68 and name HD2) 6.000 4.2 0.5 !    .737
assign (resid 69 and name HN) (resid 69 and name HA) 2.700 0.9 0.5 !    .739
assign (resid 69 and name HN) (resid 69 and name HB1) 3.300 1.5 0.5 !    .742
assign (resid 69 and name HN) (resid 69 and name HB2) 2.700 0.9 0.5 !    .740
assign (resid 69 and name HN) (resid 69 and name HD1#) 6.000 4.2 0.5 !    .743
assign (resid 69 and name HN) (resid 69 and name HD2#) 6.000 4.2 0.5 !    .744
assign (resid 69 and name HN) (resid 69 and name HG) 3.300 1.5 0.5 !    .741
assign (resid 70 and name HN) (resid 69 and name HA) 6.000 4.2 0.5 !    .749
assign (resid 70 and name HN) (resid 69 and name HB1) 6.000 4.2 0.5 !    .752
assign (resid 70 and name HN) (resid 69 and name HB2) 6.000 4.2 0.5 !    .750
assign (resid 70 and name HN) (resid 69 and name HD1#) 6.000 4.2 0.5 !    .753
assign (resid 69 and name HN) (resid 70 and name HN) 3.300 1.5 0.5 !    .734
!assign (resid 70 and name HN) (resid 69 and name HN) 2.700 0.9 0.5 !    .745
assign (resid 70 and name HN) (resid 70 and name HA) 2.700 0.9 0.5 !    .748
assign (resid 70 and name HN) (resid 70 and name HB) 2.700 0.9 0.5 !    .747
assign (resid 70 and name HN) (resid 70 and name HG2#) 2.700 0.9 0.5 !    .751
assign (resid 71 and name HN) (resid 68 and name HA) 6.000 4.2 0.5 !    .758
assign (resid 71 and name HN) (resid 70 and name HA) 3.300 1.5 0.5 !    .759
assign (resid 71 and name HN) (resid 70 and name HB) 3.300 1.5 0.5 !    .756
!assign (resid 71 and name HN) (resid 70 and name HG1) 3.300 1.5 0.5 !    .763
assign (resid 71 and name HN) (resid 70 and name HG2#) 6.000 4.2 0.5 !    .762
!assign (resid 70 and name HN) (resid 71 and name HN) 2.700 0.9 0.5 !    .746
assign (resid 71 and name HN) (resid 70 and name HN) 3.300 1.5 0.5 !    .755
assign (resid 71 and name HN) (resid 71 and name HA) 2.700 0.9 0.5 !    .757
assign (resid 71 and name HN) (resid 71 and name HB1) 2.700 0.9 0.5 !    .760
assign (resid 71 and name HN) (resid 71 and name HB2) 2.700 0.9 0.5 !    .761
assign (resid 72 and name HN) (resid 69 and name HA) 3.300 1.5 0.5 !    .822
!assign (resid 72 and name HN) (resid 71 and name HN) 2.700 0.9 0.5 !    .414
assign (resid 71 and name HN) (resid 72 and name HN) 3.300 1.5 0.5 !    .754
assign (resid 72 and name HN) (resid 72 and name HA) 2.700 0.9 0.5 !    .415
assign (resid 72 and name HN) (resid 72 and name HB1) 2.700 0.9 0.5 !    .416
assign (resid 73 and name HN) (resid 71 and name HA) 6.000 4.2 0.5 !    .767
assign (resid 73 and name HN) (resid 72 and name HA) 3.300 1.5 0.5 !    .768
assign (resid 73 and name HN) (resid 72 and name HB1) 3.300 1.5 0.5 !    .771
assign (resid 73 and name HN) (resid 72 and name HB2) 3.300 1.5 0.5 !    .772
assign (resid 73 and name HN) (resid 72 and name HG1) 4.000 2.2 0.5 !    .774
assign (resid 73 and name HN) (resid 72 and name HG2) 4.000 2.2 0.5 !    .773
assign (resid 73 and name HN) (resid 73 and name HA) 2.700 0.9 0.5 !    .766
assign (resid 73 and name HN) (resid 73 and name HB#) 2.700 0.9 0.5 !    .770
assign (resid 74 and name HN) (resid 72 and name HA) 6.000 4.2 0.5 !    .778
assign (resid 74 and name HN) (resid 73 and name HB#) 3.300 1.5 0.5 !    .781
!assign (resid 73 and name HN) (resid 74 and name HN) 2.700 0.9 0.5 !    .765
assign (resid 74 and name HN) (resid 73 and name HN) 2.700 0.9 0.5 !    .775
assign (resid 74 and name HN) (resid 74 and name HA) 2.700 0.9 0.5 !    .777
assign (resid 74 and name HN) (resid 74 and name HB#) 6.000 4.2 0.5 !    .782
assign (resid 74 and name HN) (resid 74 and name HG1) 5.000 3.2 0.5 !    .780
assign (resid 74 and name HN) (resid 74 and name HG2) 6.000 4.2 0.5 !    .783
assign (resid 49 and name HN) (resid 47 and name HA) 3.300 1.5 0.5 ! 
assign (resid 54 and name HN) (resid 51 and name HA) 3.300 1.5 0.5 !  
assign (resid 69 and name HN) (resid 66 and name HA) 3.300 1.5 0.5 ! 
assign (resid 70 and name HN) (resid 67 and name HA) 3.300 1.5 0.5 ! 
assign (resid 74 and name HN) (resid 71 and name HA) 6.000 4.2 0.5 ! 
assign (resid 49 and name HN) (resid 52 and name HD1#) 6.000 4.2 0.5 !    .524
!assign (resid 51 and name HN) (resid 47 and name HB1) 6.000 4.2 0.5 !    .524
assign (resid 68 and name HN) (resid 16 and name HE#) 6.000 4.2 0.5 !    .524

!assign (resid 3 and name HN) (resid 1 and name HA) 6.000 4.2 0.5 !   NOE_Nagg.32
assign (resid 3 and name HN) (resid 2 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.31
!assign (resid 3 and name HN) (resid 2 and name HB1) 6.000 4.2 0.5 !   NOE_Nagg.33
assign (resid 3 and name HN) (resid 3 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.37
assign (resid 3 and name HN) (resid 3 and name HB2) 2.700 0.9 0.5 !   NOE_Nagg.36
!assign (resid 3 and name HN) (resid 3 and name HE21) 6.000 4.2 0.5 !   NOE_Nagg.38
assign (resid 3 and name HN) (resid 3 and name HG1) 3.300 1.5 0.5 !   NOE_Nagg.34
assign (resid 3 and name HN) (resid 4 and name HG) 6.000 4.2 0.5 !   NOE_Nagg.35
assign (resid 4 and name HN) (resid 3 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.12
assign (resid 4 and name HN) (resid 3 and name HB2) 3.300 1.5 0.5 !   NOE_Nagg.9
assign (resid 4 and name HN) (resid 3 and name HE21) 3.300 1.5 0.5 !   NOE_Nagg.21
assign (resid 4 and name HN) (resid 3 and name HG#) 6.000 4.2 0.5 !   NOE_Nagg.10
assign (resid 4 and name HN) (resid 4 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.13
assign (resid 4 and name HN) (resid 4 and name HB2) 2.700 0.9 0.5 !   NOE_Nagg.7
assign (resid 4 and name HN) (resid 4 and name HD1#) 4.000 2.2 0.5 !   NOE_Nagg.6
assign (resid 4 and name HN) (resid 4 and name HG) 2.700 0.9 0.5 !   NOE_Nagg.8
assign (resid 5 and name HN) (resid 4 and name HA) 3.300 1.5 0.5 !   NOE_Nagg.23
assign (resid 5 and name HN) (resid 4 and name HB1) 6.000 4.2 0.5 !   NOE_Nagg.26
assign (resid 5 and name HN) (resid 4 and name HB2) 2.700 0.9 0.5 !   NOE_Nagg.27
assign (resid 5 and name HN) (resid 4 and name HD1#) 6.000 4.2 0.5 !   NOE_Nagg.29
assign (resid 4 and name HN) (resid 5 and name HN) 5.000 3.2 0.5 !   NOE_Nagg.14
assign (resid 5 and name HN) (resid 5 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.24
assign (resid 5 and name HN) (resid 5 and name HG2#) 6.000 4.2 0.5 !   NOE_Nagg.28
assign (resid 5 and name HN) (resid 6 and name HG1) 5.000 3.2 0.5 !   NOE_Nagg.25
assign (resid 5 and name HN) (resid 6 and name HN) 3.300 1.5 0.5 !   NOE_Nagg.17
assign (resid 8 and name HE21) (resid 5 and name HB) 3.300 1.5 0.5 !   NOE_Nagg.76
!assign (resid 8 and name HN) (resid 5 and name HB) 2.700 0.9 0.5 !   NOE_Nagg.19
assign (resid 8 and name HE21) (resid 8 and name HB1) 3.300 1.5 0.5 !   NOE_Nagg.75
assign (resid 8 and name HE21) (resid 8 and name HG1) 6.000 4.2 0.5 !   NOE_Nagg.73
assign (resid 8 and name HE22) (resid 8 and name HG1) 6.000 4.2 0.5 !   NOE_Nagg.71
assign (resid 8 and name HN) (resid 8 and name HE21) 3.300 1.5 0.5 !   NOE_Nagg.20
assign (resid 8 and name HN) (resid 9 and name HG11) 6.000 4.2 0.5 !   NOE_Nagg.18
assign (resid 14 and name HN) (resid 65 and name HE1) 6.000 4.2 0.5 !   NOE_Nagg.15
assign (resid 41 and name HE21) (resid 41 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.69
assign (resid 41 and name HE21) (resid 41 and name HG2) 2.700 0.9 0.5 !  NOE_Nagg.68
assign (resid 41 and name HE22) (resid 41 and name HG2) 4.000 2.2 0.5 !  NOE_Nagg.70
assign (resid 42 and name HD2#) (resid 42 and name HA) 3.300 1.5 0.5 !   NOE_Nagg.67
assign (resid 42 and name HD2#) (resid 42 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.61
assign (resid 42 and name HD2#) (resid 42 and name HB2) 2.700 0.9 0.5 !  NOE_Nagg.60
assign (resid 42 and name HD22) (resid 42 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.63
assign (resid 42 and name HD22) (resid 42 and name HB2) 3.300 1.5 0.5 !  NOE_Nagg.62
assign (resid 42 and name HD2#) (resid 43 and name HA) 5.000 3.2 0.5 !   NOE_Nagg.65
assign (resid 42 and name HD22) (resid 43 and name HA) 6.000 4.2 0.5 !   NOE_Nagg.64
assign (resid 49 and name HE21) (resid 49 and name HA) 3.300 1.5 0.5 !   NOE_Nagg.53
assign (resid 49 and name HE21) (resid 49 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.59
assign (resid 49 and name HE21) (resid 49 and name HG2) 2.700 0.9 0.5 !  NOE_Nagg.58
assign (resid 49 and name HE22) (resid 49 and name HG2) 3.300 1.5 0.5 !  NOE_Nagg.57
!assign (resid 53 and name HD2#) (resid 53 and name HA) 2.700 0.9 0.5 !   NOE_Nagg.47
assign (resid 53 and name HD2#) (resid 53 and name HB#) 2.700 0.9 0.5 !  NOE_Nagg.51
!assign (resid 53 and name HD22) (resid 53 and name HA) 3.300 1.5 0.5 !   NOE_Nagg.48
!assign (resid 53 and name HD22) (resid 53 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.49
!assign (resid 53 and name HD22) (resid 56 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.50
!assign (resid 60 and name HD22) (resid 58 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.45
assign (resid 60 and name HD2#) (resid 60 and name HA) 6.000 4.2 0.5 !   NOE_Nagg.40
assign (resid 60 and name HD2#) (resid 60 and name HB1) 3.300 1.5 0.5 !  NOE_Nagg.43
assign (resid 60 and name HD2#) (resid 60 and name HB2) 3.300 1.5 0.5 !  NOE_Nagg.42

assign (resid 4 and name HN) (resid 4 and name HD2#) 6.000 4.2 0.5 ! 
assign (resid 4 and name HN) (resid 4 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 4 and name HN) (resid 3 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 14 and name HN) (resid 13 and name HG1) 6.000 4.2 0.5 ! 
assign (resid 73 and name HN) (resid 72 and name HN) 6.000 4.2 0.5 ! 
assign (resid 7 and name HN) (resid 7 and name HA) 6.000 4.2 0.5 ! 
assign (resid 7 and name HN) (resid 6 and name HA) 6.000 4.2 0.5 ! 
assign (resid 5 and name HN) (resid 5 and name HB) 6.000 4.2 0.5 ! 
assign (resid 5 and name HN) (resid 4 and name HG) 6.000 4.2 0.5 ! 
assign (resid 3 and name HN) (resid 3 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 3 and name HN) (resid 3 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 49 and name HE21) (resid 49 and name HG1) 6.000 4.2 0.5 !   
assign (resid 41 and name HE22) (resid 41 and name HG1) 6.000 4.2 0.5 !   
assign (resid 41 and name HE21) (resid 41 and name HB2) 6.000 4.2 0.5 !   
assign (resid 8 and name HE21) (resid 8 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 8 and name HE21) (resid 8 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 8 and name HE22) (resid 8 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 8 and name HE22) (resid 8 and name HG2) 6.000 4.2 0.5 ! 

! aggiunti per la prima iterazione

assign (resid 27 and name HN) (resid 28 and name HA) 6.000 4.2 0.5 !
assign (resid 27 and name HN) (resid 63 and name HG12) 6.000 4.2 0.5 !
assign (resid 27 and name HN) (resid 63 and name HG2#) 6.000 4.2 0.5 !
assign (resid 27 and name HN) (resid 26 and name HG2#) 6.000 4.2 0.5 !
assign (resid 27 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.5 !
assign (resid 12 and name HN) (resid 10 and name HA) 6.000 4.2 0.5 !
assign (resid 12 and name HN) (resid 11 and name HG2) 6.000 4.2 0.5 !
assign (resid 12 and name HN) (resid 13 and name HB#) 6.000 4.2 0.5 !
assign (resid 13 and name HN) (resid 11 and name HA) 6.000 4.2 0.5 !
assign (resid 13 and name HN) (resid 11 and name HB2) 6.000 4.2 0.5 !
assign (resid 13 and name HN) (resid  9 and name HG2#) 6.000 4.2 0.5 !
assign (resid 16 and name HN) (resid 65 and name HE#) 6.000 4.2 0.5 !
assign (resid 19 and name HN) (resid 19 and name HD#) 6.000 4.2 0.5 !
assign (resid 65 and name HN) (resid 64 and name HB2) 6.000 4.2 0.5 !    
assign (resid 68 and name HN) (resid 66 and name HD#) 6.000 4.2 0.5 !
assign (resid 68 and name HN) (resid 69 and name HB2) 6.000 4.2 0.5 !    
assign (resid 6 and name HN) (resid 7 and name HG1) 6.000 4.2 0.5 !
assign (resid 6 and name HN) (resid 6 and name HB1) 6.000 4.2 0.5 !
assign (resid 7 and name HN) (resid 6 and name HB1) 6.000 4.2 0.5 !
assign (resid 8 and name HN) (resid 7 and name HG1) 3.300 1.5 0.5 !
assign (resid 8 and name HN) (resid 8 and name HB2) 2.700 0.9 0.5 !
!assign (resid 9 and name HN) (resid 5 and name HN) 6.000 4.2 0.5 !
assign (resid 9 and name HN) (resid 8 and name HB1) 3.300 1.5 0.5 !
assign (resid 9 and name HN) (resid  9 and name HG2#) 6.000 4.2 0.5 !
assign (resid 10 and name HN) (resid 11 and name HB2) 6.000 4.2 0.5 !
assign (resid 10 and name HN) (resid  9 and name HG2#) 6.000 4.2 0.5 !
assign (resid 11 and name HN) (resid 11 and name HG2) 6.000 4.2 0.5 !
assign (resid 14 and name HN) (resid 16 and name HB2) 6.000 4.2 0.5 !
assign (resid 14 and name HN) (resid 14 and name HG2) 6.000 4.2 0.5 !
assign (resid 15 and name HN) (resid 14 and name HB1) 6.000 4.2 0.5 !
assign (resid 19 and name HN) (resid 27 and name HD1#) 6.000 4.2 0.5 !
assign (resid 25 and name HN) (resid 26 and name HG2#) 6.000 4.2 0.5 !
assign (resid 28 and name HN) (resid 22 and name HB2) 6.000 4.2 0.5 !    
assign (resid 28 and name HN) (resid 27 and name HG2#) 3.300 1.5 0.5 !    
assign (resid 30 and name HN) (resid 29 and name HA) 6.000 4.2 0.5 !
assign (resid 30 and name HN) (resid 30 and name HB#) 2.700 0.9 0.5 !
assign (resid 30 and name HN) (resid 30 and name HG#) 6.000 4.2 0.5 !
assign (resid 32 and name HN) (resid 27 and name HG2#) 6.000 4.2 0.5 !
assign (resid 32 and name HN) (resid 48 and name HD2#) 6.000 4.2 0.5 !
assign (resid 5 and name HN) (resid 8 and name HN) 6.000 4.2 0.5 !
!assign (resid 49 and name HE21) (resid 59 and name HN) 6.000 4.2 0.5 !
assign (resid 49 and name HE22) (resid 49 and name HA) 6.000 4.2 0.5 !

! aggiunti per la seconda iterazione

assign (resid 3 and name HE22) (resid 2 and name HA) 6.000 4.2 0.5 !   mv23e35.1554
assign (resid 3 and name HE21) (resid 4 and name HA) 6.000 4.2 0.5 !   
assign (resid 69 and name HN) (resid 68 and name HN) 6.000 4.2 0.5 !
assign (resid 68 and name HN) (resid 63 and name HG12) 6.000 4.2 0.5 !
assign (resid 8 and name HN) (resid 7 and name HB#) 6.000 4.2 0.5 !
assign (resid 9 and name HN) (resid 7 and name HA) 6.000 4.2 0.5 !
assign (resid 9 and name HN) (resid 8 and name HG1) 6.000 4.2 0.5 !
assign (resid 10 and name HN) (resid 8 and name HN) 6.000 4.2 0.5 !
assign (resid 11 and name HN) (resid 9 and name HA) 6.000 4.2 0.5 !
!assign (resid 16 and name HN) (resid 14 and name HA) 6.000 4.2 0.5 ! 
assign (resid 18 and name HN) (resid 17 and name HA) 6.000 4.2 0.5 !
assign (resid 20 and name HN) (resid 19 and name HA) 6.000 4.2 0.5 !
assign (resid 20 and name HN) (resid 27 and name HG2#) 6.000 4.2 0.5 !
assign (resid 21 and name HN) (resid 20 and name HB1) 6.000 4.2 0.5 !
assign (resid 22 and name HN) (resid 20 and name HB1) 6.000 4.2 0.5 !
assign (resid 25 and name HN) (resid 16 and name HE2) 6.000 4.2 0.5 !
assign (resid 26 and name HN) (resid 24 and name HA) 6.000 4.2 0.5 !
assign (resid 30 and name HN) (resid 28 and name HA) 6.000 4.2 0.5 !
assign (resid 31 and name HN) (resid 30 and name HG2) 6.000 4.2 0.5 !
!assign (resid 32 and name HN) (resid 19 and name HB#) 6.000 4.2 0.5 !
assign (resid 72 and name HN) (resid 72 and name HG1) 6.000 4.2 0.5 !
assign (resid 56 and name HN) (resid 63 and name HG12) 6.000 4.2 0.5 !
assign (resid 67 and name HN) (resid 67 and name HG#) 6.000 4.2 0.5 !
assign (resid 71 and name HN) (resid 72 and name HG#) 6.000 4.2 0.5 !    .758
assign (resid 17 and name HN) (resid 17 and name HA) 6.000 4.2 0.5 !    .758
assign (resid 48 and name HN) (resid 47 and name HB2) 6.000 4.2 0.5 !    .758


! aggiunti per la terza iterazione
assign (resid 6 and name HN) (resid 4 and name HA) 6.000 4.2 0.5 !
assign (resid 13 and name HN) (resid 65 and name HZ) 6.000 4.2 0.5 !
!assign (resid 6 and name HN) (resid 8 and name HA) 6.000 4.2 0.5 !
assign (resid 11 and name HN) (resid 13 and name HG2) 6.000 4.2 0.5 !
assign (resid 22 and name HN) (resid 21 and name HD#) 6.000 4.2 0.5 !
!assign (resid 24 and name HN) (resid 21 and name HB2) 6.000 4.2 0.5 !
assign (resid 28 and name HN) (resid 30 and name HN) 5.000 3.2 0.5 !
assign (resid 30 and name HN) (resid 29 and name HG2#) 6.000 4.2 0.5 !
assign (resid 72 and name HN) (resid 71 and name HA) 6.000 4.2 0.5 ! 
assign (resid 39 and name HN) (resid 35 and name HG1#) 6.000 4.2 0.5 !
assign (resid 51 and name HN) (resid 51 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 57 and name HN) (resid 67 and name HB1) 6.000 4.2 0.5 !
assign (resid 58 and name HN) (resid 67 and name HG#) 6.000 4.2 0.5 !
assign (resid 63 and name HN) (resid 28 and name HA) 6.000 4.2 0.5 !
assign (resid 64 and name HN) (resid 63 and name HD1#) 6.000 4.2 0.5 !
assign (resid 5 and name HN) (resid 8 and name HB#) 6.000 4.2 0.5 !
assign (resid 5 and name HN) (resid 4 and name HD2#) 6.000 4.2 0.5 !


!Con eNOS come modello: 30/09/03
!assign (resid 12 and name HN) (resid 8 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 3 and name HN) (resid 4 and name HA) 6.000 4.2 0.5 !
!assign (resid 4 and name HN) (resid 9 and name HD1#) 6.000 4.2 0.5 !
assign (resid 8 and name HN) (resid 5 and name HG2#) 6.000 4.2 0.5 !
assign (resid 8 and name HN) (resid 5 and name HB) 6.000 4.2 0.5 !
assign (resid 8 and name HN) (resid 7 and name HA) 6.000 4.2 0.5 !
assign (resid 9 and name HN) (resid 5 and name HN) 6.000 4.2 0.5 !
assign (resid 7 and name HN) (resid 8 and name HG#) 6.000 4.2 0.5 !
assign (resid 10 and name HN) (resid  9 and name HG1#) 6.000 4.2 0.5 !
assign (resid 14 and name HN) (resid 13 and name HE#) 6.000 4.2 0.5 !
assign (resid 17 and name HN) (resid 16 and name HA) 6.000 4.2 0.5 !
assign (resid 19 and name HN) (resid 18 and name HD1#) 6.000 4.2 0.5 !
assign (resid 20 and name HN) (resid 19 and name HD#) 6.000 4.2 0.5 !
assign (resid 21 and name HN) (resid 21 and name HD#) 6.000 4.2 0.5 !
assign (resid 22 and name HN) (resid 20 and name HA) 6.000 4.2 0.5 !
!assign (resid 28 and name HN) (resid 19 and name HB#) 6.000 4.2 0.5 !
assign (resid 28 and name HN) (resid 27 and name HG12) 6.000 4.2 0.5 !
assign (resid 31 and name HN) (resid 28 and name HG1) 6.000 4.2 0.5 !
assign (resid 31 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.5 !
assign (resid 30 and name HN) (resid 28 and name HG2#) 6.000 4.2 0.5 !
assign (resid 28 and name HN) (resid 28 and name HG1) 6.000 4.2 0.5 !
assign (resid 31 and name HN) (resid 31 and name HG#) 6.000 4.2 0.5 !
assign (resid 32 and name HN) (resid 52 and name HD1#) 6.000 4.2 0.5 !
!assign (resid 33 and name HN) (resid 52 and name HD1#) 6.000 4.2 0.5 !
assign (resid 34 and name HN) (resid 48 and name HD1#) 6.000 4.2 0.5 !
assign (resid 38 and name HN) (resid 37 and name HG#) 6.000 4.2 0.5 !
assign (resid 41 and name HN) (resid 40 and name HA1) 6.000 4.2 0.5 !
assign (resid 72 and name HN) (resid 68 and name HA) 6.000 4.2 0.5 !
assign (resid 42 and name HN) (resid 37 and name HG#) 6.000 4.2 0.5 !
assign (resid 39 and name HN) (resid 39 and name HD2#) 6.000 4.2 0.5 !
assign (resid 44 and name HN) (resid 48 and name HG) 6.000 4.2 0.5 !
assign (resid 50 and name HN) (resid 49 and name HG#) 6.000 4.2 0.5 !
!assign (resid 51 and name HN) (resid 63 and name HD1#) 6.000 4.2 0.5 !
!assign (resid 52 and name HN) (resid 32 and name HD1#) 6.000 4.2 0.5 !
assign (resid 52 and name HN) (resid 52 and name HD1#) 6.000 4.2 0.5 !
assign (resid 55 and name HN) (resid 55 and name HG1#) 6.000 4.2 0.5 !
!assign (resid 57 and name HN) (resid 70 and name HG2#) 6.000 4.2 0.5 !
assign (resid 71 and name HN) (resid 55 and name HG1#) 6.000 4.2 0.5 !    .764
assign (resid 73 and name HN) (resid 70 and name HA) 6.000 4.2 0.5 !
assign (resid 14 and name HN) (resid 13 and name HA) 6.000 4.2 0.5 !
assign (resid 41 and name HN) (resid 40 and name HA#) 6.000 4.2 0.5 !
assign (resid 37 and name HN) (resid 37 and name HG#) 6.000 4.2 0.5 !
assign (resid 37 and name HN) (resid 37 and name HD#) 6.000 4.2 0.5 !
assign (resid 37 and name HN) (resid 36 and name HB#) 6.000 4.2 0.5 !
assign (resid 53 and name HD2#) (resid 50 and name HA) 6.000 4.2 0.5 !
assign (resid 53 and name HD2#) (resid 49 and name HG#) 6.000 4.2 0.5 !

assign (resid 28 and name HN) (resid 28 and name HA) 6.000 4.2 0.5 !
assign (resid 48 and name HN) (resid 48 and name HA) 6.000 4.2 0.5 !
assign (resid 61 and name HN) (resid 62 and name HG2#) 6.000 4.2 0.5 !









assign (resid 6 and name HA) (resid 6 and name HB1) 2.700 0.9 0.5 !    .18
assign (resid 6 and name HA) (resid 6 and name HG2) 2.700 0.9 0.5 !    .17
assign (resid 8 and name HA) (resid 8 and name HB1) 2.700 0.9 0.5 !    .31
assign (resid 8 and name HA) (resid 8 and name HG#) 6.000 4.2 0.5 !    .32
assign (resid 9 and name HB) (resid 6 and name HA) 3.300 1.5 0.5 !    .44
assign (resid 9 and name HD1#) (resid 6 and name HA) 3.300 1.5 0.5 !    .49
assign (resid 9 and name HD1#) (resid 6 and name HG2) 6.000 4.2 0.5 !    .55
assign (resid 6 and name HA) (resid 9 and name HG11) 2.700 0.9 0.5 !    .19
assign (resid 9 and name HG2#) (resid 6 and name HA) 6.000 4.2 0.5 !    .60
assign (resid 9 and name HB) (resid 9 and name HA) 6.000 4.2 0.5 !    .43
assign (resid 9 and name HA) (resid 9 and name HD1#) 6.000 4.2 0.5 !    .39
assign (resid 9 and name HD1#) (resid 9 and name HB) 2.700 0.9 0.5 !    .51
assign (resid 9 and name HG11) (resid 9 and name HA) 3.300 1.5 0.5 !    .46
assign (resid 9 and name HB) (resid 9 and name HG11) 2.700 0.9 0.5 !    .42
assign (resid 9 and name HG11) (resid 9 and name HD1#) 3.300 1.5 0.5 !    .47
assign (resid 9 and name HA) (resid 9 and name HG12) 3.300 1.5 0.5 !    .37
!assign (resid 9 and name HD1#) (resid 9 and name HG12) 2.700 0.9 0.5 !    .52
assign (resid 9 and name HA) (resid 9 and name HG2#) 3.300 1.5 0.5 !    .38
assign (resid 9 and name HG2#) (resid 9 and name HB) 2.700 0.9 0.5 !    .57
assign (resid 9 and name HD1#) (resid 9 and name HG1#) 3.300 1.5 0.5 !    .53
assign (resid 10 and name HB#) (resid 13 and name HB#) 5.000 3.2 0.5 !    .73
assign (resid 10 and name HA) (resid 10 and name HB#) 2.700 0.9 0.5 !    .63
assign (resid 11 and name HG2) (resid 11 and name HA) 3.300 1.5 0.5 !    .67
assign (resid 9 and name HA) (resid 12 and name HD#) 6.000 4.2 0.5 !    .40
!assign (resid 9 and name HG2#) (resid 12 and name HD2) 3.300 1.5 0.5 !    .61
assign (resid 12 and name HA) (resid 12 and name HB1) 3.300 1.5 0.5 !    .69
assign (resid 12 and name HB2) (resid 12 and name HA) 3.300 1.5 0.5 !    .79
assign (resid 12 and name HA) (resid 12 and name HD#) 3.300 1.5 0.5 !    .71
assign (resid 12 and name HB1) (resid 12 and name HD1) 3.300 1.5 0.5 !    .77
assign (resid 12 and name HB2) (resid 12 and name HD2) 6.000 4.2 0.5 !    .78
assign (resid 13 and name HB2) (resid 10 and name HA) 2.700 0.9 0.5 !    .90
assign (resid 13 and name HD1) (resid 10 and name HA) 6.000 4.2 0.5 !    .100
assign (resid 13 and name HD2) (resid 10 and name HA) 6.000 4.2 0.5 !    .101
assign (resid 13 and name HA) (resid 13 and name HB2) 2.700 0.9 0.5 !    .84
assign (resid 13 and name HD1) (resid 13 and name HB1) 6.000 4.2 0.5 !    .96
assign (resid 13 and name HD2) (resid 13 and name HB2) 3.300 1.5 0.5 !    .97
assign (resid 13 and name HD2) (resid 13 and name HE1) 3.300 1.5 0.5 !    .99
assign (resid 13 and name HD1) (resid 13 and name HE2) 6.000 4.2 0.5 !    .98
assign (resid 13 and name HA) (resid 13 and name HG1) 3.300 1.5 0.5 !    .87
assign (resid 13 and name HG1) (resid 13 and name HB2) 3.300 1.5 0.5 !    .93
assign (resid 13 and name HG1) (resid 13 and name HE1) 6.000 4.2 0.5 !    .95
assign (resid 13 and name HA) (resid 13 and name HG2) 3.300 1.5 0.5 !    .86
assign (resid 13 and name HB1) (resid 13 and name HG2) 3.300 1.5 0.5 !    .91
assign (resid 13 and name HE1) (resid 13 and name HG2) 3.300 1.5 0.5 !    .282
assign (resid 14 and name HA) (resid 14 and name HB1) 2.700 0.9 0.5 !    .103
assign (resid 14 and name HA) (resid 14 and name HG2) 2.700 0.9 0.5 !    .102
assign (resid 12 and name HA) (resid 15 and name HB#) 3.300 1.5 0.5 !    .68
!assign (resid 15 and name HB#) (resid 12 and name HB1) 6.000 4.2 0.5 !    .109
assign (resid 15 and name HB#) (resid 12 and name HD1) 5.000 3.2 0.5 !    .112
assign (resid 15 and name HB#) (resid 15 and name HA) 2.700 0.9 0.5 !    .110
assign (resid 13 and name HA) (resid 16 and name HB1) 3.300 1.5 0.5 !    .82
assign (resid 13 and name HA) (resid 16 and name HB2) 3.300 1.5 0.5 !    .83
assign (resid 15 and name HA) (resid 16 and name HA) 6.000 4.2 0.5 !    .106
assign (resid 16 and name HA) (resid 16 and name HB2) 3.300 1.5 0.5 !    .117
assign (resid 16 and name HA) (resid 16 and name HD#) 3.300 1.5 0.5 !    .115
assign (resid 16 and name HB2) (resid 16 and name HD1) 6.000 4.2 0.5 !    .121
assign (resid 16 and name HB1) (resid 16 and name HD2) 6.000 4.2 0.5 !    .122
assign (resid 16 and name HA) (resid 16 and name HE1) 5.000 3.2 0.5 !    .114
assign (resid 16 and name HA) (resid 17 and name HA) 6.000 4.2 0.5 !    .116
assign (resid 16 and name HB1) (resid 17 and name HA) 6.000 4.2 0.5 !    .123
assign (resid 17 and name HA) (resid 16 and name HD2) 6.000 4.2 0.5 !    .124
assign (resid 18 and name HB1) (resid 15 and name HA) 6.000 4.2 0.5 !    .138
assign (resid 18 and name HB2) (resid 15 and name HA) 6.000 4.2 0.5 !    .139
assign (resid 15 and name HA) (resid 18 and name HD2#) 5.000 3.2 0.5 !    .104
assign (resid 18 and name HA) (resid 18 and name HB1) 3.300 1.5 0.5 !    .131
assign (resid 18 and name HA) (resid 18 and name HB2) 3.300 1.5 0.5 !    .129
assign (resid 18 and name HD1#) (resid 18 and name HA) 2.700 0.9 0.5 !    .147
assign (resid 18 and name HD1#) (resid 18 and name HB2) 3.300 1.5 0.5 !   .151
assign (resid 18 and name HD2#) (resid 18 and name HA) 3.300 1.5 0.5 !    .154
assign (resid 18 and name HB1) (resid 18 and name HD2#) 6.000 4.2 0.5 !   .132
assign (resid 18 and name HB2) (resid 18 and name HD2#) 6.000 4.2 0.5 !   .133
assign (resid 18 and name HA) (resid 18 and name HG) 3.300 1.5 0.5 !    .130
assign (resid 18 and name HD1#) (resid 18 and name HG) 2.700 0.9 0.5 !    .150
assign (resid 18 and name HD2#) (resid 18 and name HG) 3.300 1.5 0.5 !    .152
assign (resid 16 and name HA) (resid 19 and name HB2) 6.000 4.2 0.5 !    .118
assign (resid 19 and name HA) (resid 19 and name HB2) 2.700 0.9 0.5 !    .285
assign (resid 19 and name HA) (resid 19 and name HD1) 6.000 4.2 0.5 !    .283
assign (resid 19 and name HA) (resid 19 and name HD2) 6.000 4.2 0.5 !    .284
assign (resid 17 and name HA) (resid 20 and name HB1) 3.300 1.5 0.5 !    .125
assign (resid 17 and name HA) (resid 20 and name HB2) 3.300 1.5 0.5 !    .126
assign (resid 20 and name HB1) (resid 20 and name HA) 3.300 1.5 0.5 !    .292
assign (resid 20 and name HB2) (resid 20 and name HA) 3.300 1.5 0.5 !    .295
assign (resid 21 and name HA) (resid 21 and name HB#) 2.700 0.9 0.5 !    .298
assign (resid 21 and name HD#) (resid 21 and name HA) 2.700 0.9 0.5 !    .303
assign (resid 21 and name HD1) (resid 21 and name HB1) 2.700 0.9 0.5 !    .304
assign (resid 21 and name HA) (resid 21 and name HG1) 4.000 2.2 0.5 !    .299
assign (resid 21 and name HG1) (resid 21 and name HB2) 3.300 1.5 0.5 !    .302
assign (resid 21 and name HG#) (resid 21 and name HE#) 6.000 4.2 0.5 !    .301
assign (resid 56 and name HA) (resid 67 and name HB2) 6.000 4.2 0.5 !    .686
assign (resid 24 and name HB1) (resid 24 and name HA) 3.300 1.5 0.5 !    .307
assign (resid 24 and name HA) (resid 24 and name HB2) 2.700 0.9 0.5 !    .685
!assign (resid 25 and name HA2) (resid 25 and name HA1) 2.700 0.9 0.5 !    .311
!assign (resid 26 and name HA) (resid 16 and name HZ) 6.000 4.2 0.5 !    .312
assign (resid 26 and name HG2#) (resid 16 and name HZ) 6.000 4.2 0.5 !   .324
!assign (resid 26 and name HG2#) (resid 24 and name HB2) 6.000 4.2 0.5 !   .319
assign (resid 26 and name HB) (resid 26 and name HA) 2.700 0.9 0.5 !    .313
assign (resid 26 and name HG2#) (resid 26 and name HA) 2.700 0.9 0.5 !    .322
assign (resid 26 and name HG2#) (resid 26 and name HB) 2.700 0.9 0.5 !    .318
assign (resid 27 and name HA) (resid 19 and name HB1) 6.000 4.2 0.5 !    .326
assign (resid 27 and name HD1#) (resid 19 and name HB1) 3.300 1.5 0.5 !   .167
assign (resid 27 and name HD1#) (resid 19 and name HD#) 6.000 4.2 0.5 !   .173
assign (resid 27 and name HG2#) (resid 19 and name HB#) 6.000 4.2 0.5 !  .177
assign (resid 27 and name HG2#) (resid 19 and name HD1) 6.000 4.2 0.5 !   .174
assign (resid 27 and name HA) (resid 27 and name HB) 6.000 4.2 0.5 !    .327
assign (resid 27 and name HA) (resid 27 and name HD1#) 3.300 1.5 0.5 !    .330
assign (resid 27 and name HD1#) (resid 27 and name HB) 6.000 4.2 0.5 !    .165
assign (resid 27 and name HB) (resid 27 and name HG11) 3.300 1.5 0.5 !    .335
assign (resid 27 and name HA) (resid 27 and name HG1#) 3.300 1.5 0.5 !    .328
assign (resid 27 and name HB) (resid 27 and name HG12) 6.000 4.2 0.5 !    .333
assign (resid 27 and name HD1#) (resid 27 and name HG12) 3.300 1.5 0.5 !  .164
assign (resid 27 and name HG2#) (resid 27 and name HA) 3.300 1.5 0.5 !    .175
assign (resid 27 and name HG2#) (resid 27 and name HB) 3.300 1.5 0.5 !    .179
assign (resid 27 and name HD1#) (resid 27 and name HG2#) 3.300 1.5 0.5 !  .163
assign (resid 27 and name HG2#) (resid 27 and name HG11) 2.700 0.9 0.5 !  .180
assign (resid 28 and name HA) (resid 28 and name HG2#) 2.700 0.9 0.5 !    .345
assign (resid 28 and name HB) (resid 28 and name HG2#) 2.700 0.9 0.5 !    .348
assign (resid 29 and name HA) (resid 29 and name HB) 2.700 0.9 0.5 !    .349
assign (resid 29 and name HG2#) (resid 29 and name HA) 2.700 0.9 0.5 !    .359
assign (resid 29 and name HG2#) (resid 29 and name HB) 2.700 0.9 0.5 !    .358
assign (resid 30 and name HB1) (resid 30 and name HA) 2.700 0.9 0.5 !    .363
assign (resid 30 and name HG1) (resid 30 and name HA) 6.000 4.2 0.5 !    .365
assign (resid 30 and name HG1) (resid 30 and name HB2) 3.300 1.5 0.5 !    .367
assign (resid 30 and name HG1) (resid 30 and name HD#) 2.700 0.9 0.5 !    .368
assign (resid 30 and name HG1) (resid 30 and name HE#) 6.000 4.2 0.5 !    .366
assign (resid 30 and name HB1) (resid 30 and name HG2) 2.700 0.9 0.5 !    .364
assign (resid 19 and name HA) (resid 31 and name HB#) 6.000 4.2 0.5 !    .286
assign (resid 27 and name HA) (resid 31 and name HB#) 3.300 1.5 0.5 !    .325
assign (resid 27 and name HG2#) (resid 31 and name HB#) 3.300 1.5 0.5 !   .178
assign (resid 32 and name HA) (resid 19 and name HE#) 4.000 2.2 0.5 !    .370
assign (resid 27 and name HG2#) (resid 32 and name HA) 6.000 4.2 0.5 !    .176
assign (resid 29 and name HA) (resid 32 and name HB#) 6.000 4.2 0.5 !    .350
assign (resid 32 and name HA) (resid 32 and name HB1) 3.300 1.5 0.5 !    .374
assign (resid 32 and name HA) (resid 32 and name HB2) 2.700 0.9 0.5 !    .371
assign (resid 32 and name HD1#) (resid 32 and name HA) 6.000 4.2 0.5 !    .156
assign (resid 32 and name HD1#) (resid 32 and name HB1) 3.300 1.5 0.5 !   .159
assign (resid 32 and name HD1#) (resid 32 and name HB2) 3.300 1.5 0.5 !   .160
assign (resid 32 and name HD2#) (resid 32 and name HA) 3.300 1.5 0.5 !    .143
assign (resid 32 and name HD2#) (resid 32 and name HB1) 3.300 1.5 0.5 !   .149
assign (resid 32 and name HD2#) (resid 32 and name HB2) 3.300 1.5 0.5 !   .142
assign (resid 33 and name HA1) (resid 43 and name HG#) 6.000 4.2 0.5 !    .386
assign (resid 33 and name HA2) (resid 48 and name HD1#) 6.000 4.2 0.5 !   .389
assign (resid 34 and name HB) (resid 31 and name HB#) 6.000 4.2 0.5 !    .395
assign (resid 34 and name HA) (resid 34 and name HB) 2.700 0.9 0.5 !    .390
assign (resid 34 and name HA) (resid 34 and name HG2#) 2.700 0.9 0.5 !    .392
assign (resid 34 and name HB) (resid 34 and name HG2#) 2.700 0.9 0.5 !    .396
assign (resid 35 and name HB) (resid 19 and name HE1) 3.300 1.5 0.5 !    .408
assign (resid 35 and name HG1#) (resid 19 and name HE#) 6.000 4.2 0.5 !    .422
assign (resid 19 and name HA) (resid 35 and name HG1#) 6.000 4.2 0.5 !    .287
assign (resid 35 and name HG2#) (resid 19 and name HD1) 6.000 4.2 0.5 !   .416
assign (resid 35 and name HG2#) (resid 18 and name HG) 6.000 4.2 0.5 !   .412
!assign (resid 35 and name HB) (resid 36 and name HA) 4.000 2.2 0.5 !    .409
!assign (resid 35 and name HB) (resid 31 and name HB#) 5.000 3.2 0.5 !    .410
assign (resid 32 and name HA) (resid 35 and name HG2#) 6.000 4.2 0.5 !    .373
!assign (resid 34 and name HA) (resid 35 and name HG1#) 6.000 4.2 0.5 !   .393
assign (resid 35 and name HA) (resid 35 and name HB) 3.300 1.5 0.5 !    .400
assign (resid 35 and name HA) (resid 35 and name HG1#) 3.300 1.5 0.5 !    .399
assign (resid 35 and name HB) (resid 35 and name HG1#) 3.300 1.5 0.5 !    .405
assign (resid 35 and name HA) (resid 35 and name HG2#) 3.300 1.5 0.5 !    .398
assign (resid 35 and name HB) (resid 35 and name HG2#) 3.300 1.5 0.5 !    .404
assign (resid 36 and name HE#) (resid 32 and name HD1#) 6.000 4.2 0.5 !   .192
assign (resid 36 and name HB1) (resid 36 and name HA) 3.300 1.5 0.5 !    .184
assign (resid 36 and name HG1) (resid 36 and name HA) 6.000 4.2 0.5 !    .253
assign (resid 36 and name HE#) (resid 36 and name HG1) 3.300 1.5 0.5 !    .187
assign (resid 36 and name HG2) (resid 36 and name HA) 3.300 1.5 0.5 !    .254
assign (resid 36 and name HB#) (resid 36 and name HG2) 3.300 1.5 0.5 !    .188
assign (resid 33 and name HA2) (resid 43 and name HG#) 6.000 4.2 0.5 !    .388
assign (resid 34 and name HA) (resid 37 and name HB#) 2.700 0.9 0.5 !    .391
assign (resid 37 and name HG1) (resid 34 and name HA) 3.300 1.5 0.5 !    .431
assign (resid 37 and name HA) (resid 37 and name HB2) 2.700 0.9 0.5 !    .424
!assign (resid 37 and name HG1) (resid 37 and name HA) 3.300 1.5 0.5 !    .430
assign (resid 37 and name HG1) (resid 37 and name HD2) 6.000 4.2 0.5 !    .433
!assign (resid 37 and name HG2) (resid 37 and name HA) 3.300 1.5 0.5 !    .429
assign (resid 37 and name HG2) (resid 37 and name HD2) 3.300 1.5 0.5 !    .432
assign (resid 35 and name HA) (resid 38 and name HB1) 3.300 1.5 0.5 !    .401
assign (resid 38 and name HB1) (resid 38 and name HA) 3.300 1.5 0.5 !    .438
assign (resid 38 and name HA) (resid 38 and name HB2) 2.700 0.9 0.5 !    .437
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assign (resid 39 and name HB2) (resid 36 and name HA) 6.000 4.2 0.5 !    .447
assign (resid 39 and name HB1) (resid 39 and name HA) 3.300 1.5 0.5 !    .445
assign (resid 39 and name HA) (resid 39 and name HB2) 2.700 0.9 0.5 !    .444
assign (resid 39 and name HD1#) (resid 39 and name HA) 6.000 4.2 0.5 !    .451
assign (resid 39 and name HD1#) (resid 39 and name HB1) 2.700 0.9 0.5 !   .453
assign (resid 39 and name HA) (resid 39 and name HD2#) 3.300 1.5 0.5 !    .443
assign (resid 39 and name HD2#) (resid 39 and name HB1) 2.700 0.9 0.5 !   .458
assign (resid 41 and name HA) (resid 41 and name HB1) 3.300 1.5 0.5 !    .461
assign (resid 41 and name HB2) (resid 41 and name HA) 3.300 1.5 0.5 !    .465
assign (resid 41 and name HA) (resid 41 and name HG#) 2.700 0.9 0.5 !    .462
assign (resid 41 and name HG2) (resid 41 and name HA) 3.300 1.5 0.5 !    .466
assign (resid 41 and name HG2) (resid 41 and name HB1) 3.300 1.5 0.5 !    .467
assign (resid 37 and name HA) (resid 42 and name HA) 6.000 4.2 0.5 !    .425
assign (resid 41 and name HA) (resid 42 and name HB2) 5.000 3.2 0.5 !    .463
assign (resid 42 and name HA) (resid 42 and name HB1) 3.300 1.5 0.5 !    .470
assign (resid 42 and name HA) (resid 42 and name HB2) 3.300 1.5 0.5 !    .469
assign (resid 42 and name HA) (resid 43 and name HD1) 2.700 0.9 0.5 !    .472
assign (resid 42 and name HA) (resid 43 and name HD2) 2.700 0.9 0.5 !    .471
assign (resid 42 and name HA) (resid 43 and name HG#) 4.000 2.2 0.5 !    .468
assign (resid 43 and name HA) (resid 43 and name HB#) 2.700 0.9 0.5 !    .474
assign (resid 43 and name HD2) (resid 43 and name HB2) 4.000 2.2 0.5 !    .489
assign (resid 43 and name HA) (resid 43 and name HG#) 4.000 2.2 0.5 !    .475
assign (resid 43 and name HG1) (resid 43 and name HD1) 3.300 1.5 0.5 !    .486
assign (resid 43 and name HD2) (resid 43 and name HG#) 3.300 1.5 0.5 !    .488
assign (resid 43 and name HG2) (resid 43 and name HD1) 3.300 1.5 0.5 !    .485
assign (resid 44 and name HA) (resid 43 and name HB1) 6.000 4.2 0.5 !    .8
assign (resid 44 and name HA) (resid 43 and name HB2) 5.000 3.2 0.5 !    .7
assign (resid 45 and name HB2) (resid 44 and name HB) 6.000 4.2 0.5 !    .22
assign (resid 45 and name HA) (resid 45 and name HB#) 2.700 0.9 0.5 !    .682
assign (resid 45 and name HG#) (resid 45 and name HA) 2.700 0.9 0.5 !    .679
assign (resid 45 and name HG2) (resid 45 and name HB1) 2.700 0.9 0.5 !    .680
assign (resid 46 and name HA) (resid 46 and name HB#) 2.700 0.9 0.5 !    .492
assign (resid 46 and name HB#) (resid 47 and name HG2) 6.000 4.2 0.5 !    .496
assign (resid 29 and name HB) (resid 48 and name HB1) 3.300 1.5 0.5 !    .354
assign (resid 29 and name HG2#) (resid 48 and name HB1) 3.300 1.5 0.5 !   .361
assign (resid 48 and name HD1#) (resid 29 and name HB) 6.000 4.2 0.5 !   .516
assign (resid 48 and name HD2#) (resid 29 and name HB) 4.000 2.2 0.5 !    .517
assign (resid 48 and name HG) (resid 29 and name HB) 3.300 1.5 0.5 !    .510
assign (resid 48 and name HA) (resid 48 and name HD2#) 6.000 4.2 0.5 !    .503
assign (resid 48 and name HD1#) (resid 33 and name HA1) 6.000 4.2 0.5 !   .514
assign (resid 43 and name HG1) (resid 48 and name HD1#) 6.000 4.2 0.5 !   .482
assign (resid 43 and name HG2) (resid 48 and name HD1#) 6.000 4.2 0.5 !   .481
assign (resid 48 and name HB2) (resid 45 and name HA) 3.300 1.5 0.5 !    .507
assign (resid 48 and name HD1#) (resid 48 and name HA) 6.000 4.2 0.5 !   .515
assign (resid 48 and name HA) (resid 48 and name HB1) 3.300 1.5 0.5 !    .500
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!assign (resid 48 and name HD1#) (resid 48 and name HB1) 3.300 1.5 0.5 !   .513 doppio
assign (resid 48 and name HB2) (resid 48 and name HD1#) 3.300 1.5 0.5 !   .509
assign (resid 48 and name HB1) (resid 48 and name HD2#) 3.300 1.5 0.5 !   .506
assign (resid 48 and name HG) (resid 48 and name HD2#) 3.300 1.5 0.5 !    .511
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assign (resid 29 and name HG2#) (resid 49 and name HG1) 6.000 4.2 0.5 !   .360
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assign (resid 46 and name HB#) (resid 47 and name HG1) 6.000 4.2 0.5 !    .497
assign (resid 49 and name HA) (resid 49 and name HG1) 2.700 0.9 0.5 !    .522
assign (resid 49 and name HG1) (resid 49 and name HB2) 2.700 0.9 0.5 !    .525
assign (resid 49 and name HB1) (resid 49 and name HG#) 2.700 0.9 0.5 !    .524
assign (resid 50 and name HB1) (resid 47 and name HA) 3.300 1.5 0.5 !    .532
assign (resid 47 and name HA) (resid 50 and name HB2) 2.700 0.9 0.5 !    .499
assign (resid 50 and name HB1) (resid 50 and name HA) 2.700 0.9 0.5 !    .531
assign (resid 50 and name HA) (resid 50 and name HB2) 2.700 0.9 0.5 !    .528
assign (resid 52 and name HD2#) (resid 28 and name HA) 6.000 4.2 0.5 !    .204
assign (resid 52 and name HD1#) (resid 29 and name HA) 3.300 1.5 0.5 !    .205
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!assign (resid 29 and name HB) (resid 48 and name HD2#) 5.000 3.2 0.5 !    .356
assign (resid 32 and name HD2#) (resid 32 and name HD1#) 6.000 4.2 0.5 !  .161
assign (resid 49 and name HA) (resid 52 and name HB) 2.700 0.9 0.5 !    .33
assign (resid 52 and name HB) (resid 49 and name HG2) 3.300 1.5 0.5 !    .541
!assign (resid 52 and name HG2#) (resid 49 and name HA) 5.000 3.2 0.5 !    .550
assign (resid 52 and name HA) (resid 52 and name HB) 6.000 4.2 0.5 !    .535
!assign (resid 52 and name HD1#) (resid 52 and name HB) 3.300 1.5 0.5 !   .206 doppio
assign (resid 52 and name HA) (resid 52 and name HG11) 3.300 1.5 0.5 !    .537
assign (resid 52 and name HB) (resid 52 and name HG11) 3.300 1.5 0.5 !    .543
assign (resid 52 and name HG11) (resid 52 and name HD1#) 3.300 1.5 0.5 !  .547
assign (resid 52 and name HA) (resid 52 and name HG12) 3.300 1.5 0.5 !    .536
assign (resid 52 and name HB) (resid 52 and name HG12) 3.300 1.5 0.5 !    .542
assign (resid 52 and name HD1#) (resid 52 and name HG12) 6.000 4.2 0.5 !  .207
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assign (resid 52 and name HG2#) (resid 52 and name HB) 2.700 0.9 0.5 !    .552
assign (resid 52 and name HG2#) (resid 52 and name HG11) 3.300 1.5 0.5 !  .554
assign (resid 52 and name HG2#) (resid 52 and name HG12) 3.300 1.5 0.5 !  .553
assign (resid 50 and name HA) (resid 53 and name HB2) 6.000 4.2 0.5 !    .527
assign (resid 50 and name HB2) (resid 53 and name HB2) 5.000 3.2 0.5 !    .533
assign (resid 52 and name HG2#) (resid 53 and name HA) 6.000 4.2 0.5 !    .549
assign (resid 53 and name HA) (resid 53 and name HB#) 2.700 0.9 0.5 !    .555
assign (resid 55 and name HA) (resid 55 and name HB) 3.300 1.5 0.5 !    .559
assign (resid 55 and name HA) (resid 55 and name HG1#) 3.300 1.5 0.5 !    .560
assign (resid 55 and name HB) (resid 55 and name HG1#) 3.300 1.5 0.5 !    .563
assign (resid 55 and name HG2#) (resid 55 and name HA) 3.300 1.5 0.5 !    .211
assign (resid 55 and name HG2#) (resid 55 and name HB) 3.300 1.5 0.5 !    .214
assign (resid 52 and name HG2#) (resid 56 and name HB#) 6.000 4.2 0.5 !   .551
assign (resid 53 and name HA) (resid 56 and name HB#) 2.700 0.9 0.5 !    .556
assign (resid 57 and name HA) (resid 57 and name HB#) 2.700 0.9 0.5 !    .567
assign (resid 58 and name HA) (resid 58 and name HB1) 2.700 0.9 0.5 !    .571
assign (resid 58 and name HB2) (resid 58 and name HA) 2.700 0.9 0.5 !    .572
assign (resid 60 and name HB2) (resid 60 and name HA) 3.300 1.5 0.5 !    .574
assign (resid 26 and name HB) (resid 62 and name HA) 6.000 4.2 0.5 !    .314
assign (resid 26 and name HB) (resid 62 and name HB) 2.700 0.9 0.5 !    .316
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assign (resid 62 and name HG2#) (resid 26 and name HB) 6.000 4.2 0.5 !    .584
assign (resid 28 and name HA) (resid 62 and name HB) 4.000 2.2 0.5 !    .344
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assign (resid 62 and name HA) (resid 52 and name HG2#) 3.300 1.5 0.5 !    .578
assign (resid 62 and name HA) (resid 62 and name HB) 2.700 0.9 0.5 !    .576
assign (resid 62 and name HG2#) (resid 62 and name HA) 2.700 0.9 0.5 !    .582
assign (resid 62 and name HG2#) (resid 62 and name HB) 2.700 0.9 0.5 !    .583
assign (resid 27 and name HB) (resid 63 and name HB) 3.300 1.5 0.5 !    .332
!assign (resid 63 and name HB) (resid 27 and name HD1#) 3.300 1.5 0.5 !    .591
!assign (resid 63 and name HG11) (resid 27 and name HG12) 2.700 0.9 0.5 !  .684
assign (resid 63 and name HG2#) (resid 27 and name HG11) 6.000 4.2 0.5 !  .607
assign (resid 63 and name HD1#) (resid 71 and name HE#) 6.000 4.2 0.5 !  .597
assign (resid 63 and name HG2#) (resid 71 and name HE#) 6.000 4.2 0.5 ! .606
assign (resid 63 and name HG11) (resid 62 and name HB) 5.000 3.2 0.5 !    .683
assign (resid 62 and name HA) (resid 63 and name HG12) 3.300 1.5 0.5 !    .577
assign (resid 63 and name HA) (resid 63 and name HB) 3.300 1.5 0.5 !    .585
assign (resid 63 and name HA) (resid 63 and name HD1#) 6.000 4.2 0.5 !    .587
assign (resid 63 and name HD1#) (resid 63 and name HB) 3.300 1.5 0.5 !    .594
assign (resid 63 and name HD1#) (resid 63 and name HG11) 3.300 1.5 0.5 !  .595
assign (resid 63 and name HA) (resid 63 and name HG2#) 3.300 1.5 0.5 !    .586
assign (resid 63 and name HG2#) (resid 63 and name HB) 2.700 0.9 0.5 !    .604
assign (resid 63 and name HD1#) (resid 63 and name HG2#) 3.300 1.5 0.5 !  .596
assign (resid 64 and name HA) (resid 16 and name HE#) 3.300 1.5 0.5 !    .4
assign (resid 64 and name HA) (resid 66 and name HD2) 6.000 4.2 0.5 !    .2
assign (resid 64 and name HA) (resid 26 and name HG2#) 6.000 4.2 0.5 !    .3
assign (resid 26 and name HG2#) (resid 64 and name HB#) 6.000 4.2 0.5 !   .320
assign (resid 64 and name HA) (resid 64 and name HB1) 2.700 0.9 0.5 !    .0
assign (resid 64 and name HA) (resid 64 and name HB2) 2.700 0.9 0.5 !    .1
assign (resid 13 and name HA) (resid 65 and name HE#) 3.300 1.5 0.5 !    .81
assign (resid 13 and name HB2) (resid 65 and name HZ) 6.000 4.2 0.5 !    .88
assign (resid 65 and name HA) (resid 65 and name HB1) 3.300 1.5 0.5 !    .612
assign (resid 65 and name HA) (resid 65 and name HB2) 3.300 1.5 0.5 !    .611
assign (resid 65 and name HA) (resid 65 and name HD1) 3.300 1.5 0.5 !    .609
assign (resid 66 and name HD1) (resid 64 and name HB1) 6.000 4.2 0.5 !    .631
assign (resid 66 and name HD2) (resid 65 and name HB2) 3.300 1.5 0.5 !    .628
assign (resid 66 and name HA) (resid 66 and name HB1) 2.700 0.9 0.5 !    .619
assign (resid 66 and name HA) (resid 66 and name HB2) 2.700 0.9 0.5 !    .620
assign (resid 66 and name HG1) (resid 66 and name HD2) 2.700 0.9 0.5 !    .625
assign (resid 66 and name HD1) (resid 66 and name HG2) 3.300 1.5 0.5 !    .630
assign (resid 57 and name HB#) (resid 67 and name HB#) 6.000 4.2 0.5 !    .570
assign (resid 63 and name HG2#) (resid 67 and name HB2) 3.300 1.5 0.5 !   .603
assign (resid 66 and name HG2) (resid 67 and name HA) 5.000 3.2 0.5 !    .627
assign (resid 67 and name HA) (resid 67 and name HB1) 2.700 0.9 0.5 !    .632
assign (resid 67 and name HA) (resid 67 and name HB2) 2.700 0.9 0.5 !    .633
assign (resid 67 and name HA) (resid 67 and name HG#) 3.300 1.5 0.5 !    .634
assign (resid 25 and name HA2) (resid 16 and name HE#) 6.000 4.2 0.5 !   .310
assign (resid 63 and name HD1#) (resid 52 and name HA) 6.000 4.2 0.5 !    .593
assign (resid 63 and name HG2#) (resid 68 and name HA) 6.000 4.2 0.5 !    .600
assign (resid 63 and name HG2#) (resid 68 and name HB1) 6.000 4.2 0.5 !   .601
assign (resid 63 and name HG2#) (resid 68 and name HB2) 3.300 1.5 0.5 !   .602
assign (resid 65 and name HA) (resid 68 and name HB1) 3.300 1.5 0.5 !    .610
assign (resid 65 and name HA) (resid 68 and name HB2) 6.000 4.2 0.5 !    .696
assign (resid 68 and name HA) (resid 68 and name HB1) 3.300 1.5 0.5 !    .638
assign (resid 68 and name HA) (resid 68 and name HB2) 3.300 1.5 0.5 !    .639
assign (resid 68 and name HA) (resid 68 and name HD1) 3.300 1.5 0.5 !    .637
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assign (resid 69 and name HD1#) (resid 9 and name HG2#) 6.000 4.2 0.5 !   .656
assign (resid 69 and name HD1#) (resid 12 and name HD#) 4.000 2.2 0.5 !  .650
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assign (resid 69 and name HD2#) (resid 12 and name HD#) 6.000 4.2 0.5 !   .654
assign (resid 66 and name HA) (resid 69 and name HB2) 3.300 1.5 0.5 !    .621
assign (resid 66 and name HA) (resid 69 and name HD1#) 6.000 4.2 0.5 !    .622
assign (resid 69 and name HD2#) (resid 66 and name HA) 6.000 4.2 0.5 !    .655
assign (resid 69 and name HA) (resid 69 and name HB1) 2.700 0.9 0.5 !    .643
assign (resid 69 and name HD1#) (resid 69 and name HA) 3.300 1.5 0.5 !    .652
assign (resid 69 and name HA) (resid 69 and name HD2#) 3.300 1.5 0.5 !    .645
assign (resid 69 and name HB1) (resid 69 and name HD2#) 3.300 1.5 0.5 !   .646
assign (resid 69 and name HA) (resid 69 and name HG) 3.300 1.5 0.5 !    .644
assign (resid 69 and name HG) (resid 69 and name HD1#) 3.300 1.5 0.5 !    .649
assign (resid 69 and name HD2#) (resid 69 and name HG) 3.300 1.5 0.5 !    .658
assign (resid 70 and name HA) (resid 70 and name HB) 2.700 0.9 0.5 !    .659
assign (resid 70 and name HA) (resid 70 and name HG2#) 2.700 0.9 0.5 !    .661
assign (resid 70 and name HG2#) (resid 70 and name HB) 2.700 0.9 0.5 !    .690
assign (resid 55 and name HG1#) (resid 71 and name HB#) 6.000 4.2 0.5 !   .566
assign (resid 68 and name HA) (resid 71 and name HB1) 6.000 4.2 0.5 !    .640
assign (resid 71 and name HA) (resid 71 and name HG1) 2.700 0.9 0.5 !    .259
assign (resid 71 and name HG2) (resid 71 and name HB1) 3.300 1.5 0.5 !    .261
assign (resid 71 and name HG#) (resid 71 and name HE#) 6.000 4.2 0.5 !    .260
assign (resid 68 and name HA) (resid 71 and name HE#) 6.000 4.2 0.5 !     .642
assign (resid 72 and name HG2) (resid 12 and name HZ) 6.000 4.2 0.5 !    .279
assign (resid 72 and name HA) (resid 72 and name HB1) 3.300 1.5 0.5 !    .264
assign (resid 72 and name HA) (resid 72 and name HB2) 3.300 1.5 0.5 !    .263
assign (resid 72 and name HA) (resid 72 and name HE#) 6.000 4.2 0.5 !    .266
assign (resid 72 and name HG1) (resid 72 and name HB1) 3.300 1.5 0.5 !    .275
assign (resid 72 and name HB2) (resid 72 and name HG1) 3.300 1.5 0.5 !    .270
assign (resid 72 and name HG1) (resid 72 and name HE#) 6.000 4.2 0.5 !    .277
assign (resid 72 and name HA) (resid 72 and name HG2) 3.300 1.5 0.5 !    .265
assign (resid 72 and name HB1) (resid 72 and name HG2) 3.300 1.5 0.5 !    .269
assign (resid 72 and name HG2) (resid 72 and name HB2) 3.300 1.5 0.5 !    .274
assign (resid 72 and name HG2) (resid 72 and name HE#) 6.000 4.2 0.5 !    .278
assign (resid 70 and name HA) (resid 73 and name HB#) 4.000 2.2 0.5 !    .660
assign (resid 73 and name HA) (resid 73 and name HB#) 2.700 0.9 0.5 !    .664
assign (resid 71 and name HA) (resid 74 and name HB#) 3.300 1.5 0.5 !    .258
assign (resid 74 and name HA) (resid 74 and name HB#) 2.700 0.9 0.5 !    .666
assign (resid 74 and name HD1) (resid 74 and name HA) 3.300 1.5 0.5 !    .672
assign (resid 74 and name HD#) (resid 74 and name HB1) 2.700 0.9 0.5 !    .673
assign (resid 74 and name HA) (resid 74 and name HG#) 3.300 1.5 0.5 !    .667
assign (resid 74 and name HB2) (resid 74 and name HG#) 2.700 0.9 0.5 !    .670
assign (resid 74 and name HD2) (resid 74 and name HG1) 2.700 0.9 0.5 !    .674
assign (resid 74 and name HG2) (resid 74 and name HD#) 3.300 1.5 0.5 !    .671
assign (resid 45 and name HA) (resid 48 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 45 and name HA) (resid 48 and name HD1#) 6.000 4.2 0.5 ! 
!assign (resid  6 and name HA) (resid  9 and name HD1#) 6.000 4.2 0.5 ! doppio
assign (resid 12 and name HA) (resid 11 and name HB#) 6.000 4.2 0.5 ! 
!assign (resid 12 and name HA) (resid 68 and name HE2) 6.000 4.2 0.5 ! 
assign (resid 19 and name HA) (resid 19 and name HE#) 6.000 4.2 0.5 ! 
!assign (resid 20 and name HB#) (resid 31 and name HG#) 6.000 4.2 0.5 ! 
assign (resid 26 and name HA) (resid 16 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 26 and name HB) (resid 27 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 26 and name HG2#) (resid 27 and name HA) 6.000 4.2 0.5 ! 
assign (resid 27 and name HB) (resid 63 and name HG12) 6.000 4.2 0.5 ! 
assign (resid 27 and name HG2#) (resid 28 and name HA) 6.000 4.2 0.5 ! 
assign (resid 28 and name HA) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 29 and name HA) (resid 52 and name HG11) 6.000 4.2 0.5 ! 
assign (resid 29 and name HA) (resid 32 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 29 and name HB) (resid 49 and name HA) 6.000 4.2 0.5 ! 
assign (resid 29 and name HB) (resid 45 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 29 and name HG2#) (resid 49 and name HA) 6.000 4.2 0.5 ! 
assign (resid 29 and name HG2#) (resid 49 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 29 and name HG2#) (resid 52 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 32 and name HA) (resid 36 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 32 and name HA) (resid 19 and name HD#) 6.000 4.2 0.5 ! 
assign (resid 32 and name HB1) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 32 and name HB1) (resid 29 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 32 and name HB1) (resid 29 and name HB) 6.000 4.2 0.5 ! 
assign (resid 33 and name HA1) (resid 36 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 33 and name HA#) (resid 32 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 35 and name HA) (resid 37 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 35 and name HB) (resid 19 and name HZ) 6.000 4.2 0.5 ! 
assign (resid 35 and name HB) (resid 19 and name HD#) 6.000 4.2 0.5 ! 
assign (resid 35 and name HG2#) (resid 19 and name HZ) 6.000 4.2 0.5 ! 
!assign (resid 35 and name HG2#) (resid 32 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 35 and name HG2#) (resid 112 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 35 and name HG2#) (resid 21 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 37 and name HA) (resid 37 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 37 and name HA) (resid 37 and name HG1) 6.000 4.2 0.5 ! 
!assign (resid 39 and name HA) (resid 35 and name HG1#) 6.000 4.2 0.5 ! 
assign (resid 42 and name HA) (resid 36 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 42 and name HA) (resid 37 and name HG#) 6.000 4.2 0.5 ! 
assign (resid 42 and name HA) (resid 36 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 42 and name HA) (resid 36 and name HG1) 6.000 4.2 0.5 ! 
assign (resid 46 and name HB#) (resid 47 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 48 and name HA) (resid 51 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 48 and name HA) (resid 51 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 48 and name HA) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
!assign (resid 48 and name HA) (resid 52 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 48 and name HB1) (resid 48 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 48 and name HB1) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 48 and name HB2) (resid 48 and name HA) 6.000 4.2 0.5 ! 
assign (resid 48 and name HB2) (resid 45 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 48 and name HB2) (resid 45 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 49 and name HA) (resid 49 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 49 and name HB2) (resid 46 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 52 and name HA) (resid 63 and name HG11) 6.000 4.2 0.5 ! 
assign (resid 52 and name HA) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 52 and name HB) (resid 29 and name HA) 6.000 4.2 0.5 ! 
assign (resid 52 and name HB) (resid 29 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 52 and name HB) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 52 and name HG11) (resid 49 and name HA) 6.000 4.2 0.5 ! 
assign (resid 52 and name HG11) (resid 51 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 52 and name HG11) (resid 51 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 52 and name HG2#) (resid 52 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 52 and name HG2#) (resid 29 and name HA) 6.000 4.2 0.5 ! 
assign (resid 52 and name HG2#) (resid 63 and name HG1#) 6.000 4.2 0.5 ! 
assign (resid 53 and name HA) (resid 53 and name HD1) 6.000 4.2 0.5 ! 
assign (resid 55 and name HA) (resid 54 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 55 and name HB) (resid 71 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 58 and name HB2) (resid 60 and name HA) 6.000 4.2 0.5 ! 
assign (resid 58 and name HB2) (resid 60 and name HB1) 6.000 4.2 0.5 ! 
!assign (resid 60 and name HB2) (resid 58 and name HB1) 6.000 4.2 0.5 ! 
!assign (resid 62 and name HA) (resid 62 and name HG2#) 6.000 4.2 0.5 ! doppio
assign (resid 62 and name HA) (resid 52 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 62 and name HB) (resid 28 and name HB) 6.000 4.2 0.5 ! 
assign (resid 62 and name HB) (resid 27 and name HA) 6.000 4.2 0.5 ! 
assign (resid 62 and name HB) (resid 26 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 62 and name HG2#) (resid 28 and name HA) 6.000 4.2 0.5 ! 
assign (resid 62 and name HG2#) (resid 28 and name HB) 6.000 4.2 0.5 ! 
assign (resid 63 and name HA) (resid 63 and name HG12) 6.000 4.2 0.5 ! 
assign (resid 63 and name HB) (resid 27 and name HG12) 6.000 4.2 0.5 ! 
assign (resid 63 and name HD1#) (resid 52 and name HG2#) 6.000 4.2 0.5 ! 
!assign (resid 63 and name HD1#) (resid 71 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 63 and name HD1#) (resid 27 and name HG12) 6.000 4.2 0.5 ! 
assign (resid 64 and name HB1) (resid 26 and name HA) 6.000 4.2 0.5 ! 
assign (resid 65 and name HA) (resid 65 and name HD2) 6.000 4.2 0.5 ! 
assign (resid 66 and name HA) (resid 66 and name HG1) 6.000 4.2 0.5 ! 
assign (resid 66 and name HA) (resid 69 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 66 and name HB1) (resid 66 and name HD2) 6.000 4.2 0.5 ! 
assign (resid 66 and name HB1) (resid 66 and name HG2) 6.000 4.2 0.5 ! 
assign (resid 66 and name HG1) (resid 66 and name HD1) 6.000 4.2 0.5 ! 
assign (resid 66 and name HD1) (resid 65 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 68 and name HA) (resid 68 and name HD2) 6.000 4.2 0.5 ! 
assign (resid 68 and name HA) (resid 69 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 69 and name HA) (resid 72 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 69 and name HA) (resid 72 and name HB2) 6.000 4.2 0.5 ! 
!assign (resid 69 and name HA) (resid 69 and name HD1#) 6.000 4.2 0.5 ! doppio
assign (resid 69 and name HB1) (resid 72 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 69 and name HG) (resid 72 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 69 and name HD1#) (resid 68 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 69 and name HD1#) (resid 12 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 69 and name HD1#) (resid 12 and name HB1) 6.000 4.2 0.5 ! 
!assign (resid 69 and name HD2#) (resid 12 and name HZ) 6.000 4.2 0.5 ! 
assign (resid 73 and name HA) (resid 12 and name HZ) 6.000 4.2 0.5 ! 
assign (resid 74 and name HB2) (resid 70 and name HB) 6.000 4.2 0.5 ! 
assign (resid 74 and name HB1) (resid 71 and name HB2) 6.000 4.2 0.5 ! 
!assign (resid 75 and name HA) (resid 74 and name HB1) 6.000 4.2 0.5 ! 
!assign (resid 75 and name HA) (resid 75 and name HD1) 6.000 4.2 0.5 ! 
assign (resid 63 and name HD1#) (resid 27 and name HG2#) 6.000 4.2 0.5 ! 
!assign (resid 70 and name HG2#) (resid 74 and name HD#) 6.000 4.2 0.5 ! 
assign (resid 27 and name HD1#) (resid 16 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 27 and name HG12) (resid 19 and name HB1) 6.000 4.2 0.5 ! 
assign (resid 15 and name HB#) (resid 68 and name HE2) 6.000 4.2 0.5 ! 
assign (resid 55 and name HG2#) (resid 71 and name HG1) 6.000 4.2 0.5 !
assign (resid 55 and name HG2#) (resid 52 and name HG1#) 6.000 4.2 0.5 !
assign (resid 55 and name HG2#) (resid 71 and name HA) 6.000 4.2 0.5 !
assign (resid 55 and name HG1#) (resid 52 and name HA) 6.000 4.2 0.5 !
!assign (resid 59 and name HA1) (resid 64 and name HA) 6.000 4.2 0.5 ! 
assign (resid 59 and name HA1) (resid 58 and name HA) 6.000 4.2 0.5 ! 
assign (resid 59 and name HA2) (resid 60 and name HA) 6.000 4.2 0.5 ! 
assign (resid 61 and name HA1) (resid 52 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 61 and name HA2) (resid 52 and name HG2#) 6.000 4.2 0.5 ! 
assign (resid 63 and name HG11) (resid 63 and name HA) 6.000 4.2 0.5 !
assign (resid 63 and name HG11) (resid 63 and name HB) 6.000 4.2 0.5 !
assign (resid 26 and name HA)  (resid 27 and name HG12) 6.000 4.2 0.5 !
assign (resid 26 and name HA)  (resid 68 and name HB2) 6.000 4.2 0.5 !
assign (resid 57 and name HB#) (resid 67 and name HG2) 6.000 4.2 0.5 !   
assign (resid 64 and name HA) (resid 66 and name HD1) 6.000 4.2 0.5 !   
assign (resid 69 and name HA) (resid 12 and name HZ) 6.000 4.2 0.5 ! 
!assign (resid 48 and name HA) (resid 51 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 10 and name HB#) (resid 11 and name HA) 6.000 4.2 0.5 ! 
!assign (resid 71 and name HB2) (resid 67 and name HB1) 6.000 4.2 0.5 !    
assign (resid 67 and name HB1) (resid 66 and name HB2) 6.000 4.2 0.5 !
    
assign (resid 1 and name HA) (resid 1 and name HB#) 6.000 4.2 0.5 !   NOEagg.22
assign (resid 1 and name HA) (resid 2 and name HB2) 6.000 4.2 0.5 !   NOEagg.24
assign (resid 2 and name HA) (resid 2 and name HB1) 3.300 1.5 0.5 !   NOEagg.26
assign (resid 2 and name HB2) (resid 2 and name HA) 3.300 1.5 0.5 !   NOEagg.28
assign (resid 1 and name HA) (resid 3 and name HB2) 6.000 4.2 0.5 !   NOEagg.23
assign (resid 3 and name HA) (resid 3 and name HB1) 3.300 1.5 0.5 !   NOEagg.30
assign (resid 3 and name HA) (resid 3 and name HB2) 3.300 1.5 0.5 !   NOEagg.31
assign (resid 3 and name HA) (resid 3 and name HG#) 3.300 1.5 0.5 !   NOEagg.29
!assign (resid 4 and name HD1#) (resid 6 and name HA) 6.000 4.2 0.5 !   NOEagg.3
assign (resid 4 and name HA) (resid 3 and name HA) 6.000 4.2 0.5 !   NOEagg.38
assign (resid 4 and name HB1) (resid 4 and name HA) 3.300 1.5 0.5 !   NOEagg.39
assign (resid 4 and name HA) (resid 4 and name HB2) 3.300 1.5 0.5 !   NOEagg.36
assign (resid 4 and name HA) (resid 4 and name HD2#) 6.000 4.2 0.5 !   NOEagg.37
assign (resid 4 and name HD1#) (resid 4 and name HB2) 3.300 1.5 0.5 !   NOEagg.6
assign (resid 4 and name HB1) (resid 4 and name HD2#) 3.300 1.5 0.5 !   NOEagg.41
assign (resid 4 and name HB2) (resid 4 and name HD2#) 3.300 1.5 0.5 !   NOEagg.42
assign (resid 4 and name HA) (resid 4 and name HG) 2.700 0.9 0.5 !   NOEagg.35
assign (resid 4 and name HD1#) (resid 4 and name HG) 2.700 0.9 0.5 !   NOEagg.5
assign (resid 4 and name HG) (resid 4 and name HD2#) 3.300 1.5 0.5 !   NOEagg.44
assign (resid 5 and name HA) (resid 5 and name HB) 2.700 0.9 0.5 !   NOEagg.16
assign (resid 5 and name HA) (resid 5 and name HG2#) 2.700 0.9 0.5 !   NOEagg.17
assign (resid 5 and name HB) (resid 5 and name HG2#) 2.700 0.9 0.5 !   NOEagg.18
assign (resid 5 and name HA) (resid 6 and name HG#) 6.000 4.2 0.5 !   NOEagg.0
assign (resid 30 and name HG2) (resid 30 and name HA) 3.300 1.5 0.5 !   NOEagg.9
assign (resid 30 and name HG2) (resid 30 and name HE#) 3.300 1.5 0.5 !   NOEagg.8
assign (resid 56 and name HB1) (resid 56 and name HA) 2.700 0.9 0.5 !   NOEagg.15

! aggiunti per la prima iterazione
!assign (resid 6 and name HA) (resid 8 and name HE21)  6.000 4.2 0.5 !
assign (resid 9 and name HG2#) (resid 13 and name HE2)  6.000 4.2 0.5 !
assign (resid 16 and name HA) (resid 19 and name HD#)  6.000 4.2 0.5 !
assign (resid 16 and name HA) (resid 27 and name HD1#)  6.000 4.2 0.5 !
assign (resid 16 and name HA) (resid 15 and name HB#)  6.000 4.2 0.5 !
assign (resid 27 and name HD1#) (resid 63 and name HB)  6.000 4.2 0.5 !
!assign (resid 51 and name HE#) (resid 55 and name HG2#)  6.000 4.2 0.5 !
!assign (resid 55 and name HG2#) (resid 52 and name HA)  6.000 4.2 0.5 !
assign (resid 55 and name HG2#) (resid 54 and name HB#)  6.000 4.2 0.5 !
assign (resid 24 and name HB2) (resid 22 and name HB1)  6.000 4.2 0.5 !
assign (resid 41 and name HA) (resid 37 and name HD1)  6.000 4.2 0.5 !
assign (resid 63 and name HG2#) (resid 16 and name HE#)  6.000 4.2 0.5 !
assign (resid 63 and name HD1#) (resid 56 and name HA)  6.000 4.2 0.5 !

! aggiunti dopo spettro C
assign (resid 44 and name HA) (resid 43 and name HG#) 6.000 4.2 0.5 !
assign (resid 69 and name HD2#) (resid 12 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 45 and name HB#) (resid 48 and name HD1#) 6.000 4.2 0.5 !
!assign (resid 8 and name HB1) (resid 9 and name HD1#) 6.000 4.2 0.5 !
assign (resid 9 and name HG2#) (resid 13 and name HE1) 6.000 4.2 0.5 !
assign (resid 10 and name HA) (resid 9 and name HB) 6.000 4.2 0.5 !
assign (resid 10 and name HB#)  (resid 11 and name HG#) 6.000 4.2 0.5 !
assign (resid 13 and name HD#) (resid 13 and name HA) 6.000 4.2 0.5 !
assign (resid 18 and name HB1) (resid 19 and name HA) 6.000 4.2 0.5 !
assign (resid 32 and name HD1#) (resid 19 and name HE1) 6.000 4.2 0.5 !   c13noeal.145
assign (resid 18 and name HD2#) (resid 19 and name HA) 6.000 4.2 0.5 !
!assign (resid 32 and name HD2#) (resid 48 and name HD2#) 6.000 4.2 0.5 !   c13noeal.162
!assign (resid 51 and name HE#) (resid 48 and name HD2#)  6.000 4.2 0.5 !
assign (resid 36 and name HG1) (resid 35 and name HB) 6.000 4.2 0.5 ! 
assign (resid 18 and name HD1#) (resid 18 and name HB1) 6.000 4.2 0.5 !
assign (resid 33 and name HA1) (resid 48 and name HD2#) 6.000 4.2 0.5 !
assign (resid 37 and name HB2) (resid 37 and name HD1) 6.000 4.2 0.5 !
!assign (resid 35 and name HA) (resid 37 and name HA) 6.000 4.2 0.5 !
assign (resid 36 and name HA) (resid 39 and name HB1) 6.000 4.2 0.5 !
!assign (resid 73 and name HB#) (resid 72 and name HB1) 6.000 4.2 0.5 !
assign (resid 48 and name HA) (resid 48 and name HG)  6.000 4.2 0.5 !
assign (resid 66 and name HD2) (resid 64 and name HB2) 3.300 1.5 0.5 !
assign (resid 70 and name HA) (resid 69 and name HB#) 6.000 4.2 0.5 !
assign (resid 4 and name HD1#) (resid 3 and name HB1) 6.000 4.2 0.5 !   
assign (resid 72 and name HB#) (resid 72 and name HE#) 6.000 4.2 0.5 !
!assign (resid 72 and name HE#) (resid 12 and name HA)  6.000 4.2 0.5 !
assign (resid 66 and name HA) (resid 66 and name HD#) 6.000 4.2 0.5 ! 
assign (resid 65 and name HA) (resid 16 and name HZ) 6.000 4.2 0.5 !
assign (resid 8 and name HA) (resid 8 and name HB2) 6.000 4.2 0.5 !
assign (resid 14 and name HA) (resid 13 and name HB2) 6.000 4.2 0.5 !
!assign (resid 32 and name HD1#) (resid 19 and name HZ) 6.000 4.2 0.5 !
!assign (resid 32 and name HD2#) (resid 51 and name HE#) 6.000 4.2 0.5 !
assign (resid 27 and name HD1#) (resid 16 and name HD#) 6.000 4.2 0.5 !
assign (resid 27 and name HD1#) (resid 16 and name HZ) 6.000 4.2 0.5 !
assign (resid 36 and name HE#) (resid 36 and name HA) 6.000 4.2 0.5 !   
!assign (resid 51 and name HE#) (resid 52 and name HG11) 6.000 4.2 0.5 !
assign (resid 36 and name HG1) (resid 36 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 36 and name HG2) (resid 36 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 36 and name HG#) (resid 35 and name HG1#) 6.000 4.2 0.5 !
assign (resid 71 and name HA) (resid 71 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 54 and name HA) (resid 54 and name HB#) 6.000 4.2 0.5 ! 
assign (resid 72 and name HA) (resid 71 and name HE#) 6.000 4.2 0.5 !
assign (resid 72 and name HA) (resid 72 and name HG1) 6.000 4.2 0.5 !
assign (resid 72 and name HA) (resid 71 and name HB1) 6.000 4.2 0.5 !
!assign (resid 27 and name HD1#) (resid 19 and name HA) 6.000 4.2 0.5 !
assign (resid 34 and name HB) (resid 35 and name HB) 6.000 4.2 0.5 !
assign (resid 48 and name HA) (resid 47 and name HB1) 6.000 4.2 0.5 !
assign (resid 48 and name HG) (resid 48 and name HD1#) 6.000 4.2 0.5 !
assign (resid 51 and name HA) (resid 51 and name HE#) 6.000 4.2 0.5 !
assign (resid 51 and name HA) (resid 51 and name HB#) 6.000 4.2 0.5 !
assign (resid 51 and name HA) (resid 54 and name HB#) 6.000 4.2 0.5 !
assign (resid 65 and name HA) (resid 69 and name HB#) 6.000 4.2 0.5 !
!assign (resid 65 and name HA) (resid 63 and name HD1#) 6.000 4.2 0.5 ! 
assign (resid 74 and name HD2) (resid 74 and name HB2) 6.000 4.2 0.5 ! 
assign (resid 4 and name HD1#) (resid 4 and name HB1) 6.000 4.2 0.5 ! 
!assign (resid 72 and name HE#) (resid 74 and name HA) 6.000 4.2 0.5 !
assign (resid 66 and name HG2) (resid 67 and name HB1) 6.000 4.2 0.5 !    
assign (resid 48 and name HB2) (resid 48 and name HD2#) 6.000 4.2 0.5 !    



!Con eNOS come modello: 29/09/03
assign (resid 44 and name HA) (resid 45 and name HG#) 6.000 4.2 0.5 !
assign (resid 31 and name HA) (resid 34 and name HB) 6.000 4.2 0.5 !   Cterm_C.8
assign (resid 8 and name HA)  (resid 11 and name HG#) 6.000 4.2 0.5 !
assign (resid 12 and name HB#) (resid 65 and name HE#) 6.000 4.2 0.5 !
assign (resid 32 and name HD2#) (resid 48 and name HA) 6.000 4.2 0.5 !
!assign (resid 32 and name HD2#) (resid 52 and name HA) 6.000 4.2 0.5 !
assign (resid 32 and name HD2#) (resid 52 and name HG1#) 6.000 4.2 0.5 !
!assign (resid 36 and name HE#) (resid 41 and name HG#) 6.000 4.2 0.5 !
assign (resid 55 and name HG2#) (resid 68 and name HA) 6.000 4.2 0.5 !
!assign (resid 55 and name HG2#) (resid 67 and name HB#) 6.000 4.2 0.5 !
!assign (resid 29 and name HB) (resid 52 and name HD1#) 6.000 4.2 0.5 !
!assign (resid 14 and name HG#) (resid 18 and name HD1#) 6.000 4.2 0.5 !   .251
assign (resid 33 and name HA2) (resid 37 and name HG1) 6.000 4.2 0.5 !
assign (resid 48 and name HD21) (resid 43 and name HB#) 6.000 4.2 0.5 !
assign (resid 43 and name HD2) (resid 41 and name HB2) 6.000 4.2 0.5 !
assign (resid 46 and name HB#) (resid 49 and name HB#) 6.000 4.2 0.5 !
assign (resid 69 and name HD1#) (resid 65 and name HZ) 6.000 4.2 0.5 !
assign (resid 71 and name HE#) (resid 51 and name HB#) 6.000 4.2 0.5 !
assign (resid 52 and name HG12) (resid 62 and name HA) 6.000 4.2 0.5 !

assign (resid 64 and name HA) (resid 16 and name HZ) 6.000 4.2 0.5 !
assign (resid 9 and name HG2#) (resid 13 and name HE#) 6.000 4.2 0.5 !
assign (resid 12 and name HA) (resid 65 and name HE#) 6.000 4.2 0.5 ! 
assign (resid 49 and name HA) (resid 52 and name HD1#) 6.000 4.2 0.5 !
assign (resid 69 and name HD2#) (resid 65 and name HE#) 6.000 4.2 0.5 !
assign (resid 72 and name HE#) (resid 12 and name HE#) 6.000 4.2 0.5 !
assign (resid 30 and name HD#) (resid 30 and name HE#) 6.000 4.2 0.5 !
assign (resid 30 and name HA) (resid 30 and name HE#) 6.000 4.2 0.5 !
assign (resid 21 and name HD#) (resid 21 and name HE#) 6.000 4.2 0.5 !





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