*HEADER    DNA BINDING PROTEIN                     20-JUL-05   2ADL              
*TITLE     SOLUTION STRUCTURE OF THE BACTERIAL ANTITOXIN CCDA:                   
*TITLE    2 IMPLICATIONS FOR DNA AND TOXIN BINDING                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CCDA;                                                      
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 SYNONYM: CCDA CONFORMER A, LETA CONFORMER A;                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: SG22622;                                   
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PKK-CCDAR70K                              
*KEYWDS    RIBBON-HELIX-HELIX                                                    
*EXPDTA    NMR                                                                   
*AUTHOR    T.MADL, L.VANMELDEREN, M.OBERER, W.KELLER, L.KHATAI,                  
*AUTHOR   2 K.ZANGGER                                                            
*REVDAT   1   22-AUG-06 2ADL    0                                                

assign (resid 3 and name HB#) (resid 3 and name HA) 3.801 2.001 0.0 !   noesy2d600h2o_240305.203
assign (resid 3 and name HB#) (resid 3 and name HA) 4.947 3.147 0.0 !   noesy2d600_260405.208
assign (resid 3 and name HG#) (resid 3 and name HA) 2.919 1.119 0.0 !   noesy2d600_260405.94
assign (resid 3 and name HG#) (resid 3 and name HA) 3.710 1.91 0.0 !   noesy2d600_260405.95
assign (resid 3 and name HE2#) (resid 3 and name HB#) 3.897 2.097 0.0 !   noesy2d600h2o_240305.657
assign (resid 3 and name HG#) (resid 3 and name HA) 3.007 1.207 0.0 !   noesy2d600h2o_240305.202
assign (resid 3 and name HE2#) (resid 3 and name HG#) 3.182 1.382 0.0 !   noesy2d600h2o_240305.466
assign (resid 3 and name HE2#) (resid 3 and name HG#) 3.321 1.521 0.0 !   noesy2d600h2o_240305.467
assign (resid 3 and name HE2#) (resid 3 and name HG#) 5.682 3.882 0.0 !   noesy2d600h2o_240305.617
assign (resid 3 and name HN) (resid 3 and name HA) 4.035 2.235 0.0 !   noesy2d600h2o_240305.459
assign (resid 3 and name HN) (resid 3 and name HB#) 3.804 2.004 0.0 !   noesy2d600h2o_240305.655
assign (resid 3 and name HN) (resid 3 and name HB#) 3.747 1.947 0.0 !   noesy2d600h2o_240305.656
assign (resid 3 and name HN) (resid 3 and name HG#) 3.943 2.143 0.0 !   noesy2d600h2o_240305.464
assign (resid 3 and name HN) (resid 3 and name HG#) 3.943 2.143 0.0 !   noesy2d600h2o_240305.614
assign (resid 4 and name HB#) (resid 4 and name HA) 4.185 2.385 0.0 !   noesy2d600_260405.117
assign (resid 4 and name HB#) (resid 4 and name HA) 3.890 2.09 0.0 !   noesy2d600_260405.118
assign (resid 4 and name HD#) (resid 4 and name HB#) 3.547 1.747 0.0 !   noesy2d600_260405.133
assign (resid 4 and name HG#) (resid 4 and name HA) 2.850 1.05 0.0 !   noesy2d600_260405.97
assign (resid 4 and name HG#) (resid 4 and name HA) 3.340 1.54 0.0 !   noesy2d600_260405.116
assign (resid 4 and name HG#) (resid 4 and name HD#) 3.599 1.799 0.0 !   noesy2d600_260405.43
assign (resid 4 and name HG#) (resid 4 and name HD#) 3.005 1.205 0.0 !   noesy2d600_260405.115
assign (resid 4 and name HD#) (resid 4 and name HG#) 3.133 1.333 0.0 !   noesy2d600_260405.131
assign (resid 4 and name HD#) (resid 4 and name HG#) 3.012 1.212 0.0 !   noesy2d600_260405.132
assign (resid 4 and name HB#) (resid 4 and name HA) 4.197 2.397 0.0 !   noesy2d600h2o_240305.243
assign (resid 4 and name HB#) (resid 4 and name HA) 4.150 2.35 0.0 !   noesy2d600h2o_240305.244
assign (resid 4 and name HD#) (resid 4 and name HB#) 2.914 1.114 0.0 !   noesy2d600h2o_240305.277
assign (resid 4 and name HG#) (resid 4 and name HA) 3.075 1.275 0.0 !   noesy2d600h2o_240305.204
assign (resid 4 and name HG#) (resid 4 and name HA) 3.663 1.863 0.0 !   noesy2d600h2o_240305.238
assign (resid 4 and name HG#) (resid 4 and name HB#) 2.536 0.736 0.0 !   noesy2d600h2o_240305.241
assign (resid 4 and name HG#) (resid 4 and name HB#) 2.527 0.727 0.0 !   noesy2d600h2o_240305.242
assign (resid 4 and name HG#) (resid 4 and name HD#) 3.175 1.375 0.0 !   noesy2d600h2o_240305.127
assign (resid 4 and name HG#) (resid 4 and name HD#) 2.727 0.927 0.0 !   noesy2d600h2o_240305.237
assign (resid 4 and name HD#) (resid 4 and name HG#) 2.517 0.717 0.0 !   noesy2d600h2o_240305.275
assign (resid 4 and name HD#) (resid 4 and name HG#) 2.563 0.763 0.0 !   noesy2d600h2o_240305.276
assign (resid 4 and name HN) (resid 4 and name HA) 4.418 2.618 0.0 !   noesy2d600h2o_240305.422
assign (resid 4 and name HN) (resid 4 and name HB#) 2.883 1.083 0.0 !   noesy2d600h2o_240305.493
assign (resid 4 and name HN) (resid 4 and name HB#) 3.319 1.519 0.0 !   noesy2d600h2o_240305.636
assign (resid 4 and name HN) (resid 4 and name HD#) 4.474 2.674 0.0 !   noesy2d600h2o_240305.662
assign (resid 5 and name HB) (resid 5 and name HA) 6.000 4.2 0.0 !   noesy2d600h2o_240305.169
assign (resid 5 and name HB) (resid 5 and name HA) 3.687 1.887 0.0 !   noesy2d600_260405.68
assign (resid 5 and name HD1#) (resid 5 and name HA) 6.000 4.2 0.0 !   noesy2d600_260405.66
assign (resid 5 and name HD##) (resid 5 and name HB) 3.899 2.099 0.0 !   noesy2d600h2o_240305.20
assign (resid 5 and name HB) (resid 5 and name HD##) 3.810 2.01 0.0 !   noesy2d600h2o_240305.46
assign (resid 5 and name HG1#) (resid 5 and name HB) 3.690 1.89 0.0 !   noesy2d600h2o_240305.620
assign (resid 5 and name HG1#) (resid 5 and name HB) 3.743 1.943 0.0 !   noesy2d600h2o_240305.727
assign (resid 5 and name HD##) (resid 5 and name HG1#) 3.752 1.952 0.0 !   noesy2d600h2o_240305.38
assign (resid 5 and name HG1#) (resid 5 and name HD##) 4.071 2.271 0.0 !   noesy2d600h2o_240305.60
assign (resid 5 and name HD##) (resid 5 and name HG1#) 3.229 1.429 0.0 !   noesy2d600h2o_240305.1026
assign (resid 5 and name HG##) (resid 5 and name HA) 5.631 3.831 0.0 !   noesy2d600h2o_240305.167
assign (resid 5 and name HG2#) (resid 5 and name HA) 3.723 1.923 0.0 !   noesy2d600_260405.65
assign (resid 5 and name HG##) (resid 5 and name HB) 3.595 1.795 0.0 !   noesy2d600h2o_240305.2
assign (resid 5 and name HB) (resid 5 and name HG##) 3.431 1.631 0.0 !   noesy2d600h2o_240305.47
assign (resid 5 and name HD##) (resid 5 and name HG##) 3.701 1.901 0.0 !   noesy2d600h2o_240305.0
assign (resid 5 and name HG##) (resid 5 and name HD##) 3.794 1.994 0.0 !   noesy2d600h2o_240305.1
assign (resid 5 and name HN) (resid 5 and name HB) 4.380 2.58 0.0 !   noesy2d600h2o_240305.491
assign (resid 5 and name HN) (resid 5 and name HD##) 5.443 3.643 0.0 !   noesy2d600h2o_240305.395
assign (resid 5 and name HN) (resid 5 and name HG1#) 4.152 2.352 0.0 !   noesy2d600h2o_240305.494
assign (resid 5 and name HN) (resid 5 and name HG1#) 3.611 1.811 0.0 !   noesy2d600h2o_240305.689
assign (resid 5 and name HN) (resid 5 and name HG##) 4.792 2.992 0.0 !   noesy2d600h2o_240305.370
assign (resid 6 and name HG##) (resid 6 and name HA) 3.601 1.801 0.0 !   noesy2d600h2o_240305.3
assign (resid 6 and name HA) (resid 6 and name HG##) 3.495 1.695 0.0 !   noesy2d600h2o_240305.27
assign (resid 6 and name HG##) (resid 6 and name HB) 2.922 1.122 0.0 !   noesy2d600h2o_240305.86
assign (resid 6 and name HB) (resid 6 and name HG##) 3.122 1.322 0.0 !   noesy2d600h2o_240305.368
assign (resid 6 and name HB) (resid 6 and name HG##) 2.844 1.044 0.0 !   noesy2d600h2o_240305.626
assign (resid 6 and name HN) (resid 6 and name HA) 3.759 1.959 0.0 !   noesy2d600h2o_240305.392
assign (resid 6 and name HN) (resid 6 and name HB) 4.355 2.555 0.0 !   noesy2d600h2o_240305.623 
assign (resid 6 and name HA) (resid 6 and name HB) 3.578 1.778 0.0 !   noesy2d600_260405.57  
assign (resid 6 and name HN) (resid 6 and name HG##) 4.167 2.367 0.0 !   noesy2d600h2o_240305.469
assign (resid 7 and name HB) (resid 7 and name HA) 3.810 2.01 0.0 !   noesy2d600h2o_240305.198
assign (resid 7 and name HG##) (resid 7 and name HB) 3.741 1.941 0.0 !   noesy2d600h2o_240305.29
assign (resid 7 and name HB) (resid 7 and name HG##) 3.692 1.892 0.0 !   noesy2d600h2o_240305.612
assign (resid 7 and name HB) (resid 7 and name HG##) 3.301 1.501 0.0 !   noesy2d600h2o_240305.723
assign (resid 7 and name HG##) (resid 7 and name HA) 3.761 1.961 0.0 !   noesy2d600h2o_240305.82
assign (resid 7 and name HG##) (resid 7 and name HA) 4.206 2.406 0.0 !   noesy2d600h2o_240305.84
assign (resid 7 and name HG##) (resid 7 and name HB) 3.460 1.66 0.0 !   noesy2d600h2o_240305.30
assign (resid 7 and name HN) (resid 7 and name HB) 5.127 3.327 0.0 !   noesy2d600h2o_240305.718
assign (resid 7 and name HN) (resid 7 and name HG##) 4.090 2.29 0.0 !   noesy2d600h2o_240305.407
assign (resid 7 and name HN) (resid 7 and name HG##) 3.819 2.019 0.0 !   noesy2d600h2o_240305.690
assign (resid 8 and name HG##) (resid 8 and name HA) 3.671 1.871 0.0 !   noesy2d600h2o_240305.83
assign (resid 8 and name HG##) (resid 8 and name HB) 3.247 1.447 0.0 !   noesy2d600h2o_240305.85
assign (resid 8 and name HB) (resid 8 and name HG##) 3.040 1.24 0.0 !   noesy2d600h2o_240305.627
assign (resid 8 and name HN) (resid 8 and name HB) 3.462 1.662 0.0 !   noesy2d600h2o_240305.624
assign (resid 8 and name HN) (resid 8 and name HG##) 4.351 2.551 0.0 !   noesy2d600h2o_240305.629
assign (resid 8 and name HB) (resid 8 and name HA) 3.592 1.792 0.0 !   noesy2d600_260405.76
assign (resid 9 and name HB) (resid 9 and name HA) 3.575 1.775 0.0 !   noesy2d600h2o_240305.175
assign (resid 9 and name HG##) (resid 9 and name HA) 4.859 3.059 0.0 !   noesy2d600h2o_240305.93
assign (resid 9 and name HG##) (resid 9 and name HA) 4.104 2.304 0.0 !   noesy2d600h2o_240305.172
assign (resid 9 and name HG##) (resid 9 and name HB) 3.494 1.694 0.0 !   noesy2d600h2o_240305.91
assign (resid 9 and name HN) (resid 9 and name HA) 4.113 2.313 0.0 !   noesy2d600h2o_240305.458
assign (resid 9 and name HN) (resid 9 and name HB) 4.248 2.448 0.0 !   noesy2d600h2o_240305.678
assign (resid 9 and name HN) (resid 9 and name HG##) 3.710 1.91 0.0 !   noesy2d600h2o_240305.487
assign (resid 10 and name HN) (resid 10 and name HB#) 3.757 1.957 0.0 !   noesy2d600h2o_240305.518
assign (resid 10 and name HN) (resid 10 and name HB#) 3.312 1.512 0.0 !   noesy2d600h2o_240305.519
assign (resid 11 and name HN) (resid 11 and name HA) 3.296 1.496 0.0 !   noesy2d600h2o_240305.609
assign (resid 11 and name HN) (resid 11 and name HB#) 3.949 2.149 0.0 !   noesy2d600h2o_240305.735
assign (resid 11 and name HN) (resid 11 and name HB#) 3.949 2.149 0.0 !   noesy2d600h2o_240305.736
assign (resid 12 and name HB#) (resid 12 and name HA) 3.766 1.966 0.0 !   noesy2d600h2o_240305.314
assign (resid 12 and name HN) (resid 12 and name HB#) 3.962 2.162 0.0 !   noesy2d600h2o_240305.520
assign (resid 12 and name HN) (resid 12 and name HB#) 3.522 1.722 0.0 !   noesy2d600h2o_240305.521
assign (resid 13 and name HB#) (resid 13 and name HA) 3.492 1.692 0.0 !   noesy2d600h2o_240305.253
assign (resid 13 and name HB#) (resid 13 and name HA) 4.144 2.344 0.0 !   noesy2d600h2o_240305.254
assign (resid 13 and name HA) (resid 13 and name HB#) 3.872 2.072 0.0 !   noesy2d600h2o_240305.378
assign (resid 13 and name HA) (resid 13 and name HB#) 3.376 1.576 0.0 !   noesy2d600h2o_240305.379
assign (resid 13 and name HN) (resid 13 and name HA) 4.034 2.234 0.0 !   noesy2d600h2o_240305.375
assign (resid 13 and name HN) (resid 13 and name HB#) 4.073 2.273 0.0 !   noesy2d600h2o_240305.376
assign (resid 13 and name HN) (resid 13 and name HB#) 3.700 1.9 0.0 !   noesy2d600h2o_240305.377
assign (resid 14 and name HB#) (resid 14 and name HA) 4.868 3.068 0.0 !   noesy2d600h2o_240305.289
assign (resid 14 and name HA) (resid 14 and name HB#) 3.705 1.905 0.0 !   noesy2d600h2o_240305.298
assign (resid 14 and name HD#) (resid 14 and name HA) 3.123 1.323 0.0 !   noesy2d600h2o_240305.11
assign (resid 14 and name HA) (resid 14 and name HD#) 3.045 1.245 0.0 !   noesy2d600h2o_240305.292
assign (resid 14 and name HD#) (resid 14 and name HB#) 2.871 1.071 0.0 !   noesy2d600h2o_240305.25
assign (resid 14 and name HE#) (resid 14 and name HB#) 4.080 2.28 0.0 !   noesy2d600h2o_240305.26
assign (resid 14 and name HE#) (resid 14 and name HD#) 2.443 0.643 0.0 !   noesy2d600h2o_240305.6
assign (resid 14 and name HD#) (resid 14 and name HE#) 2.492 0.692 0.0 !   noesy2d600h2o_240305.7
assign (resid 14 and name HN) (resid 14 and name HA) 3.331 1.531 0.0 !   noesy2d600h2o_240305.560
assign (resid 14 and name HN) (resid 14 and name HB#) 3.115 1.315 0.0 !   noesy2d600h2o_240305.576
assign (resid 14 and name HN) (resid 14 and name HD#) 4.0 2.2 0.0 !   noesy2d600h2o_240305.559
assign (resid 15 and name HB#) (resid 15 and name HA) 3.608 1.808 0.0 !   noesy2d600h2o_240305.525
assign (resid 15 and name HB#) (resid 15 and name HA) 3.541 1.741 0.0 !   noesy2d600h2o_240305.526
assign (resid 15 and name HA) (resid 15 and name HB#) 3.180 1.38 0.0 !   noesy2d600h2o_240305.548
assign (resid 15 and name HA) (resid 15 and name HB#) 3.005 1.205 0.0 !   noesy2d600h2o_240305.549
assign (resid 15 and name HG#) (resid 15 and name HA) 4.162 2.362 0.0 !   noesy2d600h2o_240305.399
assign (resid 15 and name HG#) (resid 15 and name HA) 3.963 2.163 0.0 !   noesy2d600h2o_240305.400
assign (resid 15 and name HA) (resid 15 and name HG#) 3.635 1.835 0.0 !   noesy2d600h2o_240305.523
assign (resid 15 and name HA) (resid 15 and name HG#) 4.080 2.28 0.0 !   noesy2d600h2o_240305.524
assign (resid 15 and name HB#) (resid 15 and name HG#) 3.917 2.117 0.0 !   noesy2d600h2o_240305.527
assign (resid 15 and name HB#) (resid 15 and name HG#) 3.969 2.169 0.0 !   noesy2d600h2o_240305.528
assign (resid 15 and name HN) (resid 15 and name HA) 3.811 2.011 0.0 !   noesy2d600h2o_240305.387
assign (resid 15 and name HN) (resid 15 and name HB#) 3.284 1.484 0.0 !   noesy2d600h2o_240305.532
assign (resid 15 and name HN) (resid 15 and name HB#) 3.422 1.622 0.0 !   noesy2d600h2o_240305.533
assign (resid 15 and name HN) (resid 15 and name HG#) 3.976 2.176 0.0 !   noesy2d600h2o_240305.385
assign (resid 15 and name HN) (resid 15 and name HG#) 3.698 1.898 0.0 !   noesy2d600h2o_240305.442
assign (resid 16 and name HD2#) (resid 16 and name HA) 2.996 1.196 0.0 !   noesy2d600h2o_240305.70
assign (resid 16 and name HD2#) (resid 16 and name HA) 3.232 1.432 0.0 !   noesy2d600h2o_240305.99
assign (resid 16 and name HA) (resid 16 and name HD2#) 2.900 1.1 0.0 !   noesy2d600h2o_240305.107
assign (resid 16 and name HB#) (resid 16 and name HD2#) 2.736 0.936 0.0 !   noesy2d600h2o_240305.66
assign (resid 16 and name HG) (resid 16 and name HA) 3.181 1.381 0.0 !   noesy2d600h2o_240305.133
assign (resid 16 and name HA) (resid 16 and name HG) 3.850 2.05 0.0 !           noesy2d600h2o_240305.759   
assign (resid 16 and name HD##) (resid 16 and name HG) 3.058 1.258 0.0 !   noesy2d600h2o_240305.667
assign (resid 16 and name HD##) (resid 16 and name HG) 3.111 1.311 0.0 !   noesy2d600h2o_240305.668
assign (resid 16 and name HN) (resid 16 and name HA) 3.011 1.211 0.0 !           noesy2d600h2o_240305.381
assign (resid 16 and name HN) (resid 16 and name HB#) 3.398 1.598 0.0 !   noesy2d600h2o_240305.581
assign (resid 16 and name HN) (resid 16 and name HB#) 3.510 1.71 0.0 !           noesy2d600h2o_240305.582
assign (resid 16 and name HN) (resid 16 and name HD##) 4.008 2.208 0.0 !   noesy2d600h2o_240305.583
assign (resid 16 and name HN) (resid 16 and name HG) 3.815 2.015 0.0 !           noesy2d600h2o_240305.580
assign (resid 17 and name HD##) (resid 17 and name HA) 3.275 1.475 0.0 !   noesy2d600h2o_240305.94
assign (resid 17 and name HD##) (resid 17 and name HA) 4.007 2.207 0.0 !   noesy2d600h2o_240305.1003
assign (resid 17 and name HN) (resid 17 and name HA) 3.701 1.901 0.0 !           noesy2d600h2o_240305.1000
assign (resid 17 and name HN) (resid 17 and name HD##) 3.739 1.939 0.0 !   noesy2d600h2o_240305.753
assign (resid 17 and name HN) (resid 17 and name HD##) 4.192 2.392 0.0 !   noesy2d600h2o_240305.1004
assign (resid 17 and name HA) (resid 17 and name HB#) 5.0 3.2 0.0 !           noesy2d600h2o_240305.   
assign (resid 17 and name HN) (resid 17 and name HB#) 4.431 2.631 0.0 !   noesy2d600h2o_240305.   
assign (resid 18 and name HA) (resid 18 and name HB#) 2.519 0.719 0.0 !   noesy2d600h2o_240305.764
assign (resid 18 and name HA) (resid 18 and name HB#) 2.360 0.56 0.0 !   noesy2d600h2o_240305.765
assign (resid 18 and name HE#) (resid 18 and name HB#) 5.185 3.385 0.0 !   noesy2d600h2o_240305.770
assign (resid 18 and name HE#) (resid 18 and name HB#) 4.351 2.551 0.0 !   noesy2d600h2o_240305.771
assign (resid 18 and name HD#) (resid 18 and name HE#) 4.412 2.612 0.0 !   noesy2d600h2o_240305.140
assign (resid 18 and name HD#) (resid 18 and name HE#) 3.097 1.297 0.0 !   noesy2d600h2o_240305.282
assign (resid 18 and name HE#) (resid 18 and name HD#) 2.708 0.908 0.0 !   noesy2d600h2o_240305.336
assign (resid 18 and name HG#) (resid 18 and name HE#) 3.956 2.156 0.0 !   noesy2d600h2o_240305.135
assign (resid 18 and name HG#) (resid 18 and name HE#) 4.987 3.187 0.0 !   noesy2d600h2o_240305.281
assign (resid 18 and name HE#) (resid 18 and name HG#) 3.619 1.819 0.0 !   noesy2d600h2o_240305.743
assign (resid 18 and name HE#) (resid 18 and name HG#) 4.181 2.381 0.0 !   noesy2d600h2o_240305.744
assign (resid 18 and name HN) (resid 18 and name HA) 3.534 1.734 0.0 !   noesy2d600h2o_240305.446
assign (resid 18 and name HN) (resid 18 and name HB#) 3.321 1.521 0.0 !   noesy2d600h2o_240305.766
assign (resid 18 and name HN) (resid 18 and name HB#) 3.222 1.422 0.0 !   noesy2d600h2o_240305.767
assign (resid 19 and name HA) (resid 19 and name HB#) 2.701 0.901 0.0 !   noesy2d600h2o_240305.108
assign (resid 19 and name HB#) (resid 19 and name HA) 2.678 0.878 0.0 !   noesy2d600h2o_240305.109
assign (resid 19 and name HN) (resid 19 and name HA) 3.355 1.555 0.0 !   noesy2d600h2o_240305.390
assign (resid 19 and name HN) (resid 19 and name HB#) 3.230 1.43 0.0 !   noesy2d600h2o_240305.497
assign (resid 20 and name HE#) (resid 20 and name HD#) 2.200 0.4 0.0 !           noesy2d600h2o_240305.8
assign (resid 20 and name HD#) (resid 20 and name HE#) 2.200 0.4 0.0 !           noesy2d600h2o_240305.9
assign (resid 20 and name HN) (resid 20 and name HA) 2.845 1.045 0.0 !           noesy2d600h2o_240305.610
assign (resid 21 and name HB#) (resid 21 and name HA) 3.229 1.429 0.0 !   noesy2d600h2o_240305.117
assign (resid 21 and name HB#) (resid 21 and name HA) 3.647 1.847 0.0 !   noesy2d600h2o_240305.285
assign (resid 21 and name HA) (resid 21 and name HB#) 4.287 2.487 0.0 !   noesy2d600h2o_240305.340
assign (resid 21 and name HB#) (resid 21 and name HA) 3.226 1.426 0.0 !   noesy2d600_260405.42
assign (resid 21 and name HB#) (resid 21 and name HA) 3.523 1.723 0.0 !   noesy2d600_260405.141
assign (resid 21 and name HN) (resid 21 and name HA) 2.734 0.934 0.0 !           noesy2d600h2o_240305.786
assign (resid 21 and name HN) (resid 21 and name HB#) 3.233 1.433 0.0 !   noesy2d600h2o_240305.658
assign (resid 21 and name HN) (resid 21 and name HB#) 3.416 1.616 0.0 !   noesy2d600h2o_240305.659
assign (resid 22 and name HB) (resid 22 and name HA) 5.488 3.688 0.0 !           noesy2d600h2o_240305.184
assign (resid 22 and name HG##) (resid 22 and name HA) 3.520 1.72 0.0 !   noesy2d600h2o_240305.183
assign (resid 22 and name HA) (resid 22 and name HG##) 3.179 1.379 0.0 !   noesy2d600h2o_240305.310
assign (resid 22 and name HA) (resid 22 and name HG##) 3.194 1.394 0.0 !   noesy2d600h2o_240305.311
assign (resid 22 and name HG##) (resid 22 and name HA) 3.408 1.608 0.0 !   noesy2d600h2o_240305.182
assign (resid 22 and name HG##) (resid 22 and name HB) 3.964 2.164 0.0 !   noesy2d600h2o_240305.185
assign (resid 22 and name HG##) (resid 22 and name HB) 2.846 1.046 0.0 !   noesy2d600h2o_240305.186
assign (resid 22 and name HN) (resid 22 and name HA) 3.730 1.93 0.0 !           noesy2d600h2o_240305.450
assign (resid 22 and name HN) (resid 22 and name HB) 3.122 1.322 0.0 !           noesy2d600h2o_240305.789
assign (resid 22 and name HN) (resid 22 and name HG##) 3.640 1.84 0.0 !   noesy2d600h2o_240305.449
assign (resid 22 and name HN) (resid 22 and name HG##) 3.693 1.893 0.0 !   noesy2d600h2o_240305.448
assign (resid 23 and name HN) (resid 23 and name HA) 3.139 1.339 0.0 !   noesy2d600h2o_240305.589
assign (resid 23 and name HN) (resid 23 and name HB#) 5.273 3.473 0.0 !   noesy2d600h2o_240305.590
assign (resid 23 and name HN) (resid 23 and name HB#) 5.313 3.513 0.0 !   noesy2d600h2o_240305.591
assign (resid 23 and name HB#) (resid 23 and name HA) 3.808 2.008 0.0 !   noesy2d600_260405.87
assign (resid 23 and name HB#) (resid 23 and name HA) 4.322 2.522 0.0 !   noesy2d600_260405.88
assign (resid 24 and name HB) (resid 24 and name HA) 4.533 2.733 0.0 !   noesy2d600h2o_240305.800
assign (resid 24 and name HA) (resid 24 and name HB) 4.172 2.372 0.0 !   noesy2d600h2o_240305.801
assign (resid 24 and name HD##) (resid 24 and name HA) 3.534 1.734 0.0 !   noesy2d600h2o_240305.190
assign (resid 24 and name HA) (resid 24 and name HD##) 3.139 1.339 0.0 !   noesy2d600h2o_240305.307
assign (resid 24 and name HD##) (resid 24 and name HB) 3.112 1.312 0.0 !   noesy2d600h2o_240305.193
assign (resid 24 and name HA) (resid 24 and name HG1#) 3.367 1.567 0.0 !   noesy2d600h2o_240305.563
assign (resid 24 and name HA) (resid 24 and name HG1#) 5.291 3.491 0.0 !   noesy2d600h2o_240305.564
assign (resid 24 and name HA) (resid 24 and name HG1#) 3.991 2.191 0.0 !   noesy2d600h2o_240305.798
assign (resid 24 and name HB) (resid 24 and name HG1#) 3.029 1.229 0.0 !   noesy2d600h2o_240305.266
assign (resid 24 and name HG1#) (resid 24 and name HB) 4.150 2.35 0.0 !   noesy2d600h2o_240305.267
assign (resid 24 and name HG##) (resid 24 and name HA) 3.966 2.166 0.0 !   noesy2d600h2o_240305.189
assign (resid 24 and name HA) (resid 24 and name HG##) 3.443 1.643 0.0 !   noesy2d600h2o_240305.304
assign (resid 24 and name HG##) (resid 24 and name HB) 3.140 1.34 0.0 !   noesy2d600h2o_240305.192
assign (resid 24 and name HG##) (resid 24 and name HD##) 2.550 0.75 0.0 !   noesy2d600h2o_240305.146
assign (resid 24 and name HD##) (resid 24 and name HG##) 3.087 1.287 0.0 !   noesy2d600h2o_240305.344
assign (resid 24 and name HD##) (resid 24 and name HG##) 3.267 1.467 0.0 !   noesy2d600h2o_240305.797
assign (resid 24 and name HN) (resid 24 and name HA) 4.477 2.677 0.0 !   noesy2d600h2o_240305.428
assign (resid 24 and name HN) (resid 24 and name HB) 3.636 1.836 0.0 !   noesy2d600h2o_240305.802
assign (resid 24 and name HN) (resid 24 and name HD##) 3.811 2.011 0.0 !   noesy2d600h2o_240305.653
assign (resid 24 and name HN) (resid 24 and name HG1#) 4.291 2.491 0.0 !   noesy2d600h2o_240305.652
assign (resid 24 and name HN) (resid 24 and name HG##) 4.223 2.423 0.0 !   noesy2d600h2o_240305.671
assign (resid 25 and name HA) (resid 25 and name HB#) 3.762 1.962 0.0 !   noesy2d600h2o_240305.278
assign (resid 25 and name HA) (resid 25 and name HB#) 3.440 1.64 0.0 !   noesy2d600h2o_240305.279
assign (resid 25 and name HN) (resid 25 and name HA) 4.401 2.601 0.0 !   noesy2d600h2o_240305.473
assign (resid 25 and name HN) (resid 25 and name HB#) 4.906 3.106 0.0 !   noesy2d600h2o_240305.704
assign (resid 25 and name HN) (resid 25 and name HB#) 4.131 2.331 0.0 !   noesy2d600h2o_240305.746
assign (resid 26 and name HN) (resid 26 and name HA#) 3.708 1.908 0.0 !   noesy2d600h2o_240305.480
assign (resid 26 and name HN) (resid 26 and name HA#) 3.306 1.506 0.0 !   noesy2d600h2o_240305.509
assign (resid 27 and name HD##) (resid 27 and name HA) 3.557 1.757 0.0 !   noesy2d600h2o_240305.141
assign (resid 27 and name HD##) (resid 27 and name HA) 3.790 1.99 0.0 !   noesy2d600h2o_240305.142
assign (resid 27 and name HA) (resid 27 and name HD##) 3.602 1.802 0.0 !   noesy2d600h2o_240305.338
assign (resid 27 and name HA) (resid 27 and name HD##) 3.693 1.893 0.0 !   noesy2d600h2o_240305.339
assign (resid 27 and name HD##) (resid 27 and name HB#) 3.119 1.319 0.0 !   noesy2d600h2o_240305.366
assign (resid 27 and name HD##) (resid 27 and name HB#) 3.688 1.888 0.0 !   noesy2d600h2o_240305.367
assign (resid 27 and name HN) (resid 27 and name HA) 2.774 0.974 0.0 !   noesy2d600h2o_240305.514
assign (resid 27 and name HN) (resid 27 and name HB#) 3.283 1.483 0.0 !   noesy2d600h2o_240305.819
assign (resid 27 and name HN) (resid 27 and name HB#) 3.354 1.554 0.0 !   noesy2d600h2o_240305.821
assign (resid 27 and name HN) (resid 27 and name HD##) 3.486 1.686 0.0 !   noesy2d600h2o_240305.817
assign (resid 27 and name HN) (resid 27 and name HD##) 3.553 1.753 0.0 !   noesy2d600h2o_240305.818
assign (resid 28 and name HA) (resid 28 and name HB) 3.763 1.963 0.0 !   noesy2d600h2o_240305.302
assign (resid 28 and name HA) (resid 28 and name HB) 4.022 2.222 0.0 !   noesy2d600h2o_240305.845
assign (resid 28 and name HG##) (resid 28 and name HA) 3.566 1.766 0.0 !   noesy2d600h2o_240305.162
assign (resid 28 and name HG##) (resid 28 and name HA) 3.565 1.765 0.0 !   noesy2d600h2o_240305.163
assign (resid 28 and name HA) (resid 28 and name HG##) 3.672 1.872 0.0 !   noesy2d600h2o_240305.300
assign (resid 28 and name HA) (resid 28 and name HG##) 3.315 1.515 0.0 !   noesy2d600h2o_240305.301
assign (resid 28 and name HB) (resid 28 and name HG##) 3.239 1.439 0.0 !   noesy2d600h2o_240305.303
assign (resid 28 and name HG##) (resid 28 and name HB) 3.060 1.26 0.0 !   noesy2d600h2o_240305.850
assign (resid 28 and name HG##) (resid 28 and name HB) 3.360 1.56 0.0 !   noesy2d600h2o_240305.55
assign (resid 28 and name HN) (resid 28 and name HA) 4.221 2.421 0.0 !   noesy2d600h2o_240305.426
assign (resid 28 and name HN) (resid 28 and name HB) 3.583 1.783 0.0 !   noesy2d600h2o_240305.637
assign (resid 28 and name HN) (resid 28 and name HG##) 4.324 2.524 0.0 !   noesy2d600h2o_240305.471
assign (resid 28 and name HN) (resid 28 and name HG##) 3.737 1.937 0.0 !   noesy2d600h2o_240305.622
assign (resid 29 and name HN) (resid 29 and name HA) 4.057 2.257 0.0 !   noesy2d600h2o_240305.792
assign (resid 29 and name HN) (resid 29 and name HB#) 3.356 1.556 0.0 !   noesy2d600h2o_240305.693
assign (resid 29 and name HA) (resid 29 and name HB#) 5.344 3.544 0.0 !   noesy2d600_260405.143
assign (resid 30 and name HA) (resid 30 and name HB) 3.920 2.12 0.0 !   noesy2d600h2o_240305.177
assign (resid 30 and name HG##) (resid 30 and name HA) 3.376 1.576 0.0 !   noesy2d600h2o_240305.68
assign (resid 30 and name HA) (resid 30 and name HG##) 3.121 1.321 0.0 !   noesy2d600h2o_240305.312
assign (resid 30 and name HG##) (resid 30 and name HB) 3.280 1.48 0.0 !   noesy2d600h2o_240305.69
assign (resid 30 and name HB) (resid 30 and name HG##) 3.317 1.517 0.0 !   noesy2d600h2o_240305.359
assign (resid 30 and name HN) (resid 30 and name HA) 3.393 1.593 0.0 !   noesy2d600h2o_240305.851
assign (resid 30 and name HN) (resid 30 and name HA) 3.388 1.588 0.0 !   noesy2d600h2o_240305.852
assign (resid 30 and name HN) (resid 30 and name HG##) 3.476 1.676 0.0 !   noesy2d600h2o_240305.687
assign (resid 31 and name HG##) (resid 31 and name HA) 3.565 1.765 0.0 !   noesy2d600h2o_240305.154
assign (resid 31 and name HA) (resid 31 and name HG##) 3.174 1.374 0.0 !   noesy2d600h2o_240305.313
assign (resid 31 and name HG##) (resid 31 and name HB) 4.023 2.223 0.0 !   noesy2d600h2o_240305.155
assign (resid 31 and name HN) (resid 31 and name HA) 3.338 1.538 0.0 !   noesy2d600h2o_240305.858
assign (resid 31 and name HN) (resid 31 and name HB) 3.537 1.737 0.0 !   noesy2d600h2o_240305.857
assign (resid 31 and name HN) (resid 31 and name HG##) 3.733 1.933 0.0 !   noesy2d600h2o_240305.642
assign (resid 32 and name HN) (resid 32 and name HA) 3.6 1.8 0.0 !   noesy2d600h2o_240305.   
assign (resid 32 and name HG#) (resid 32 and name HB#) 3.376 1.576 0.0 !   noesy2d600h2o_240305.158
assign (resid 32 and name HN) (resid 32 and name HE#) 4.503 2.703 0.0 !   noesy2d600h2o_240305.859
assign (resid 32 and name HN) (resid 32 and name HG#) 3.543 1.743 0.0 !   noesy2d600h2o_240305.860
assign (resid 32 and name HN) (resid 32 and name HG#) 3.581 1.781 0.0 !   noesy2d600h2o_240305.861
assign (resid 32 and name HG#) (resid 32 and name HA) 6.0 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 32 and name HE#) (resid 32 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 32 and name HG#) (resid 32 and name HA) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 32 and name HE#) (resid 32 and name HG#) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 33 and name HN) (resid 33 and name HA) 3.586 1.786 0.0 !           noesy2d600h2o_240305.863
assign (resid 34 and name HB#) (resid 34 and name HA) 3.5 1.7 0.0 !           noesy2d600h2o_240305.   
assign (resid 34 and name HB#) (resid 34 and name HA) 3.5 1.7 0.0 !           noesy2d600h2o_240305.   
assign (resid 34 and name HD2#) (resid 34 and name HA) 4.854 3.054 0.0 !   noesy2d600h2o_240305.598
assign (resid 34 and name HD2#) (resid 34 and name HA) 4.364 2.564 0.0 !   noesy2d600h2o_240305.600
assign (resid 34 and name HD2#) (resid 34 and name HB#) 4.062 2.262 0.0 !   noesy2d600h2o_240305.594
assign (resid 34 and name HD2#) (resid 34 and name HB#) 3.928 2.128 0.0 !   noesy2d600h2o_240305.595
assign (resid 34 and name HD2#) (resid 34 and name HB#) 3.407 1.607 0.0 !   noesy2d600h2o_240305.596
assign (resid 34 and name HD2#) (resid 34 and name HB#) 3.558 1.758 0.0 !   noesy2d600h2o_240305.597
assign (resid 34 and name HN) (resid 34 and name HA) 3.497 1.697 0.0 !           noesy2d600h2o_240305.599
assign (resid 34 and name HN) (resid 34 and name HB#) 3.299 1.499 0.0 !   noesy2d600h2o_240305.604
assign (resid 34 and name HN) (resid 34 and name HB#) 3.302 1.502 0.0 !   noesy2d600h2o_240305.605
assign (resid 34 and name HD2#) (resid 34 and name HN) 4.765 2.965 0.0 !   noesy2d600h2o_240305.601
assign (resid 34 and name HD2#) (resid 34 and name HN) 5.638 3.838 0.0 !   noesy2d600h2o_240305.602
assign (resid 35 and name HN) (resid 35 and name HA) 3.050 1.25 0.0 !           noesy2d600h2o_240305.869
assign (resid 36 and name HB#) (resid 36 and name HA) 3.310 1.51 0.0 !           noesy2d600h2o_240305.181
assign (resid 36 and name HA) (resid 36 and name HB#) 3.144 1.344 0.0 !   noesy2d600h2o_240305.296
assign (resid 36 and name HN) (resid 36 and name HA) 3.867 2.067 0.0 !           noesy2d600h2o_240305.453
assign (resid 36 and name HN) (resid 36 and name HB#) 3.287 1.487 0.0 !   noesy2d600h2o_240305.578
assign (resid 37 and name HA) (resid 37 and name HB#) 2.447 0.647 0.0 !   noesy2d600h2o_240305.179
assign (resid 37 and name HA) (resid 37 and name HB#) 2.992 1.192 0.0 !   noesy2d600h2o_240305.887
assign (resid 37 and name HD#) (resid 37 and name HB#) 2.911 1.111 0.0 !   noesy2d600h2o_240305.5
assign (resid 37 and name HG#) (resid 37 and name HA) 3.069 1.269 0.0 !   noesy2d600h2o_240305.273
assign (resid 37 and name HG#) (resid 37 and name HB#) 2.695 0.895 0.0 !   noesy2d600h2o_240305.333
assign (resid 37 and name HG#) (resid 37 and name HB#) 3.039 1.239 0.0 !   noesy2d600h2o_240305.334
assign (resid 37 and name HD#) (resid 37 and name HG#) 2.777 0.977 0.0 !   noesy2d600h2o_240305.4
assign (resid 37 and name HN) (resid 37 and name HA) 3.272 1.472 0.0 !   noesy2d600h2o_240305.552
assign (resid 37 and name HN) (resid 37 and name HD#) 5.440 3.64 0.0 !   noesy2d600h2o_240305.793
assign (resid 37 and name HN) (resid 37 and name HD#) 4.954 3.154 0.0 !   noesy2d600h2o_240305.794
assign (resid 37 and name HN) (resid 37 and name HG#) 3.333 1.533 0.0 !   noesy2d600h2o_240305.883
assign (resid 38 and name HA) (resid 38 and name HG#) 2.887 1.087 0.0 !   noesy2d600h2o_240305.897
assign (resid 38 and name HD#) (resid 38 and name HG#) 3.494 1.694 0.0 !   noesy2d600h2o_240305.898
assign (resid 38 and name HD#) (resid 38 and name HG#) 3.230 1.43 0.0 !   noesy2d600h2o_240305.899
assign (resid 38 and name HN) (resid 38 and name HA) 3.239 1.439 0.0 !   noesy2d600h2o_240305.888
assign (resid 38 and name HN) (resid 38 and name HB#) 3.401 1.601 0.0 !   noesy2d600h2o_240305.891
assign (resid 39 and name HA) (resid 39 and name HB#) 3.188 1.388 0.0 !   noesy2d600h2o_240305.880
assign (resid 39 and name HA) (resid 39 and name HD##) 3.229 1.429 0.0 !   noesy2d600h2o_240305.18
assign (resid 39 and name HD##) (resid 39 and name HA) 3.379 1.579 0.0 !   noesy2d600h2o_240305.21
assign (resid 39 and name HD##) (resid 39 and name HA) 4.695 2.895 0.0 !   noesy2d600h2o_240305.73
assign (resid 39 and name HA) (resid 39 and name HD##) 4.137 2.337 0.0 !   noesy2d600h2o_240305.295
assign (resid 39 and name HB#) (resid 39 and name HD##) 3.361 1.561 0.0 !   noesy2d600h2o_240305.346
assign (resid 39 and name HB#) (resid 39 and name HD##) 3.739 1.939 0.0 !   noesy2d600h2o_240305.347
assign (resid 39 and name HD##) (resid 39 and name HB#) 3.041 1.241 0.0 !   noesy2d600h2o_240305.543
assign (resid 39 and name HD##) (resid 39 and name HB#) 3.494 1.694 0.0 !   noesy2d600h2o_240305.544
assign (resid 39 and name HA) (resid 39 and name HG) 3.436 1.636 0.0 !   noesy2d600h2o_240305.758
assign (resid 39 and name HD##) (resid 39 and name HG) 3.521 1.721 0.0 !   noesy2d600h2o_240305.541
assign (resid 39 and name HD##) (resid 39 and name HG) 3.442 1.642 0.0 !   noesy2d600h2o_240305.542
assign (resid 39 and name HN) (resid 39 and name HA) 3.743 1.943 0.0 !   noesy2d600h2o_240305.444
assign (resid 39 and name HN) (resid 39 and name HB#) 3.517 1.717 0.0 !   noesy2d600h2o_240305.545
assign (resid 39 and name HN) (resid 39 and name HD##) 4.654 2.854 0.0 !   noesy2d600h2o_240305.412
assign (resid 39 and name HN) (resid 39 and name HD##) 4.885 3.085 0.0 !   noesy2d600h2o_240305.413
assign (resid 39 and name HN) (resid 39 and name HG) 3.653 1.853 0.0 !   noesy2d600h2o_240305.547
assign (resid 40 and name HN) (resid 40 and name HA) 3.242 1.442 0.0 !   noesy2d600h2o_240305.500
assign (resid 41 and name HB#) (resid 41 and name HA) 3.115 1.315 0.0 !   noesy2d600h2o_240305.904
assign (resid 41 and name HA) (resid 41 and name HB#) 3.378 1.578 0.0 !   noesy2d600h2o_240305.905
assign (resid 41 and name HN) (resid 41 and name HA) 3.618 1.818 0.0 !   noesy2d600h2o_240305.903
assign (resid 41 and name HN) (resid 41 and name HB#) 3.463 1.663 0.0 !   noesy2d600h2o_240305.833
assign (resid 42 and name HN) (resid 42 and name HA) 2.834 1.034 0.0 !   noesy2d600h2o_240305.867
assign (resid 42 and name HN) (resid 42 and name HB#) 2.787 0.987 0.0 !   noesy2d600h2o_240305.922
assign (resid 42 and name HN) (resid 42 and name HB#) 2.924 1.124 0.0 !   noesy2d600h2o_240305.923
assign (resid 48 and name HN) (resid 48 and name HA) 3.040 1.24 0.0 !   noesy2d600h2o_240305.461
assign (resid 48 and name HN) (resid 48 and name HB#) 4.371 2.571 0.0 !   noesy2d600h2o_240305.731
assign (resid 48 and name HN) (resid 48 and name HB#) 4.225 2.425 0.0 !   noesy2d600h2o_240305.732
assign (resid 49 and name HA) (resid 49 and name HG#) 3.642 1.842 0.0 !   noesy2d600h2o_240305.931
assign (resid 49 and name HG#) (resid 49 and name HE2#) 4.607 2.807 0.0 !   noesy2d600h2o_240305.996
assign (resid 49 and name HG#) (resid 49 and name HE2#) 4.050 2.25 0.0 !   noesy2d600h2o_240305.997
assign (resid 49 and name HN) (resid 49 and name HA) 3.161 1.361 0.0 !   noesy2d600h2o_240305.930
assign (resid 49 and name HN) (resid 49 and name HG#) 3.295 1.495 0.0 !   noesy2d600h2o_240305.929
assign (resid 50 and name HG#) (resid 50 and name HB#) 2.246 0.446 0.0 !   noesy2d600h2o_240305.933
assign (resid 50 and name HG#) (resid 50 and name HB#) 2.200 0.4 0.0 !   noesy2d600h2o_240305.934
assign (resid 50 and name HN) (resid 50 and name HA) 2.892 1.092 0.0 !   noesy2d600h2o_240305.713
assign (resid 50 and name HN) (resid 50 and name HB#) 3.728 1.928 0.0 !   noesy2d600h2o_240305.714
assign (resid 50 and name HN) (resid 50 and name HB#) 3.090 1.29 0.0 !   noesy2d600h2o_240305.715
assign (resid 50 and name HN) (resid 50 and name HG#) 3.825 2.025 0.0 !   noesy2d600h2o_240305.716
assign (resid 50 and name HN) (resid 50 and name HG#) 4.160 2.36 0.0 !   noesy2d600h2o_240305.717
assign (resid 51 and name HN) (resid 51 and name HA#) 3.005 1.205 0.0 !   noesy2d600h2o_240305.920
assign (resid 52 and name HB#) (resid 52 and name HA) 3.529 1.729 0.0 !   noesy2d600h2o_240305.911
assign (resid 52 and name HB#) (resid 52 and name HA) 4.320 2.52 0.0 !   noesy2d600h2o_240305.912
assign (resid 52 and name HG#) (resid 52 and name HA) 5.244 3.444 0.0 !   noesy2d600h2o_240305.917
assign (resid 52 and name HG#) (resid 52 and name HA) 6.000 4.2 0.0 !   noesy2d600h2o_240305.918
assign (resid 52 and name HB#) (resid 52 and name HG#) 3.673 1.873 0.0 !   noesy2d600h2o_240305.913
assign (resid 52 and name HB#) (resid 52 and name HG#) 3.424 1.624 0.0 !   noesy2d600h2o_240305.914
assign (resid 52 and name HB#) (resid 52 and name HG#) 3.766 1.966 0.0 !   noesy2d600h2o_240305.915
assign (resid 52 and name HN) (resid 52 and name HA) 4.058 2.258 0.0 !   noesy2d600h2o_240305.906
assign (resid 52 and name HN) (resid 52 and name HB#) 2.881 1.081 0.0 !   noesy2d600h2o_240305.909
assign (resid 52 and name HN) (resid 52 and name HB#) 3.103 1.303 0.0 !   noesy2d600h2o_240305.910
assign (resid 52 and name HN) (resid 52 and name HG#) 5.185 3.385 0.0 !   noesy2d600h2o_240305.907
assign (resid 52 and name HN) (resid 52 and name HG#) 5.456 3.656 0.0 !   noesy2d600h2o_240305.908
assign (resid 55 and name HA) (resid 55 and name HB) 3.162 1.362 0.0 !   noesy2d600h2o_240305.350
assign (resid 55 and name HB) (resid 55 and name HA) 3.430 1.63 0.0 !   noesy2d600h2o_240305.353
assign (resid 55 and name HG##) (resid 55 and name HA) 3.538 1.738 0.0 !   noesy2d600h2o_240305.188
assign (resid 55 and name HA) (resid 55 and name HG##) 3.051 1.251 0.0 !   noesy2d600h2o_240305.351
assign (resid 55 and name HG##) (resid 55 and name HB) 2.725 0.925 0.0 !   noesy2d600h2o_240305.352
assign (resid 55 and name HB) (resid 55 and name HG##) 2.491 0.691 0.0 !   noesy2d600h2o_240305.783
assign (resid 55 and name HN) (resid 55 and name HA) 3.076 1.276 0.0 !   noesy2d600h2o_240305.784
assign (resid 55 and name HN) (resid 55 and name HB) 2.925 1.125 0.0 !   noesy2d600h2o_240305.779
assign (resid 55 and name HN) (resid 55 and name HG##) 3.496 1.696 0.0 !   noesy2d600h2o_240305.780
assign (resid 55 and name HN) (resid 55 and name HG##) 3.428 1.628 0.0 !   noesy2d600h2o_240305.781
assign (resid 56 and name HA) (resid 56 and name HB#) 3.221 1.421 0.0 !   noesy2d600h2o_240305.944
assign (resid 56 and name HB#) (resid 56 and name HA) 3.134 1.334 0.0 !   noesy2d600h2o_240305.1019
assign (resid 56 and name HN) (resid 56 and name HA) 2.853 1.053 0.0 !           noesy2d600h2o_240305.941
assign (resid 56 and name HN) (resid 56 and name HB#) 3.159 1.359 0.0 !  noesy2d600h2o_240305.937
assign (resid 57 and name HA) (resid 57 and name HB#) 2.988 1.188 0.0 !   noesy2d600h2o_240305.358
assign (resid 57 and name HD#) (resid 57 and name HA) 4.686 2.886 0.0 !   noesy2d600h2o_240305.950
assign (resid 57 and name HD#) (resid 57 and name HB#) 3.026 1.226 0.0 !   noesy2d600h2o_240305.949
assign (resid 57 and name HN) (resid 57 and name HA) 3.468 1.668 0.0 !   noesy2d600h2o_240305.942   
assign (resid 57 and name HN) (resid 57 and name HB#) 2.838 1.038 0.0 !   noesy2d600h2o_240305.945
assign (resid 57 and name HN) (resid 57 and name HD#) 4.536 2.736 0.0 !   noesy2d600h2o_240305.947
assign (resid 57 and name HN) (resid 57 and name HD#) 5.817 4.017 0.0 !   noesy2d600h2o_240305.948
assign (resid 58 and name HB#) (resid 58 and name HA) 3.377 1.577 0.0 !   noesy2d600h2o_240305.221
assign (resid 58 and name HB#) (resid 58 and name HA) 3.472 1.672 0.0 !   noesy2d600h2o_240305.222
assign (resid 58 and name HD#) (resid 58 and name HA) 3.312 1.512 0.0 !   noesy2d600h2o_240305.829
assign (resid 58 and name HD#) (resid 58 and name HB#) 3.297 1.497 0.0 !   noesy2d600h2o_240305.354
assign (resid 58 and name HD#) (resid 58 and name HB#) 3.392 1.592 0.0 !   noesy2d600h2o_240305.355
assign (resid 58 and name HE#) (resid 58 and name HB#) 4.823 3.023 0.0 !   noesy2d600h2o_240305.825
assign (resid 58 and name HE#) (resid 58 and name HB#) 4.895 3.095 0.0 !   noesy2d600h2o_240305.826
assign (resid 58 and name HE#) (resid 58 and name HD#) 2.487 0.687 0.0 !   noesy2d600h2o_240305.824
assign (resid 58 and name HN) (resid 58 and name HA) 3.167 1.367 0.0 !           noesy2d600h2o_240305.828
assign (resid 58 and name HN) (resid 58 and name HB#) 3.447 1.647 0.0 !   noesy2d600h2o_240305.815
assign (resid 58 and name HN) (resid 58 and name HB#) 3.404 1.604 0.0 !   noesy2d600h2o_240305.816
assign (resid 58 and name HN) (resid 58 and name HD#) 4.426 2.626 0.0 !   noesy2d600h2o_240305.822
assign (resid 59 and name HA) (resid 59 and name HB) 3.409 1.609 0.0 !           noesy2d600h2o_240305.328
assign (resid 59 and name HB) (resid 59 and name HA) 3.398 1.598 0.0 !           noesy2d600h2o_240305.837
assign (resid 59 and name HD##) (resid 59 and name HA) 3.964 2.164 0.0 !   noesy2d600h2o_240305.327
assign (resid 59 and name HA) (resid 59 and name HD##) 3.889 2.089 0.0 !   noesy2d600h2o_240305.361
assign (resid 59 and name HD##) (resid 59 and name HB) 3.818 2.018 0.0 !   noesy2d600h2o_240305.362
assign (resid 59 and name HG1#) (resid 59 and name HA) 4.186 2.386 0.0 !   noesy2d600h2o_240305.324
assign (resid 59 and name HA) (resid 59 and name HG1#) 3.723 1.923 0.0 !   noesy2d600h2o_240305.329
assign (resid 59 and name HA) (resid 59 and name HG1#) 3.816 2.016 0.0 !   noesy2d600h2o_240305.838
assign (resid 59 and name HG1#) (resid 59 and name HA) 4.793 2.993 0.0 !   noesy2d600h2o_240305.1018
assign (resid 59 and name HD##) (resid 59 and name HG1#) 3.615 1.815 0.0 !   noesy2d600h2o_240305.330
assign (resid 59 and name HD##) (resid 59 and name HG1#) 3.032 1.232 0.0 !   noesy2d600h2o_240305.956
assign (resid 59 and name HG##) (resid 59 and name HA) 4.995 3.195 0.0 !   noesy2d600h2o_240305.326
assign (resid 59 and name HA) (resid 59 and name HG##) 3.773 1.973 0.0 !   noesy2d600h2o_240305.360
assign (resid 59 and name HG##) (resid 59 and name HB) 3.439 1.639 0.0 !   noesy2d600h2o_240305.363
assign (resid 59 and name HB) (resid 59 and name HG##) 3.762 1.962 0.0 !   noesy2d600h2o_240305.955
assign (resid 59 and name HN) (resid 59 and name HA) 3.123 1.323 0.0 !   noesy2d600h2o_240305.834
assign (resid 59 and name HN) (resid 59 and name HB) 3.014 1.214 0.0 !   noesy2d600h2o_240305.830
assign (resid 59 and name HN) (resid 59 and name HG1#) 3.417 1.617 0.0 !   noesy2d600h2o_240305.839
assign (resid 59 and name HN) (resid 59 and name HG1#) 4.924 3.124 0.0 !   noesy2d600h2o_240305.958
assign (resid 60 and name HN) (resid 60 and name HA) 2.991 1.191 0.0 !   noesy2d600h2o_240305.902
assign (resid 60 and name HN) (resid 60 and name HB#) 2.809 1.009 0.0 !   noesy2d600h2o_240305.711
assign (resid 60 and name HN) (resid 60 and name HB#) 2.855 1.055 0.0 !   noesy2d600h2o_240305.712
assign (resid 62 and name HD2#) (resid 62 and name HB#) 4.503 2.703 0.0 !   noesy2d600h2o_240305.648
assign (resid 62 and name HD2#) (resid 62 and name HB#) 4.402 2.602 0.0 !   noesy2d600h2o_240305.649
assign (resid 62 and name HD2#) (resid 62 and name HB#) 3.663 1.863 0.0 !   noesy2d600h2o_240305.650
assign (resid 62 and name HD2#) (resid 62 and name HB#) 3.522 1.722 0.0 !   noesy2d600h2o_240305.651
assign (resid 62 and name HN) (resid 62 and name HA) 3.720 1.92 0.0 !   noesy2d600h2o_240305.647
assign (resid 62 and name HN) (resid 62 and name HB#) 3.847 2.047 0.0 !   noesy2d600h2o_240305.645
assign (resid 62 and name HN) (resid 62 and name HB#) 3.162 1.362 0.0 !   noesy2d600h2o_240305.646
assign (resid 63 and name HN) (resid 63 and name HA#) 3.035 1.235 0.0 !   noesy2d600h2o_240305.875
assign (resid 64 and name HN) (resid 64 and name HB#) 3.942 2.142 0.0 !   noesy2d600h2o_240305.961
assign (resid 64 and name HN) (resid 64 and name HB#) 3.383 1.583 0.0 !   noesy2d600h2o_240305.962
assign (resid 65 and name HD#) (resid 65 and name HA) 3.650 1.85 0.0 !   noesy2d600h2o_240305.220
assign (resid 65 and name HD#) (resid 65 and name HB#) 3.423 1.623 0.0 !   noesy2d600h2o_240305.218
assign (resid 65 and name HD#) (resid 65 and name HB#) 3.505 1.705 0.0 !   noesy2d600h2o_240305.219
assign (resid 65 and name HE#) (resid 65 and name HD#) 2.200 0.4 0.0 !   noesy2d600h2o_240305.224
assign (resid 65 and name HN) (resid 65 and name HA) 4.254 2.454 0.0 !   noesy2d600h2o_240305.608
assign (resid 65 and name HN) (resid 65 and name HB#) 3.977 2.177 0.0 !   noesy2d600h2o_240305.710
assign (resid 65 and name HE#) (resid 65 and name HZ) 2.431 0.631 0.0 !   noesy2d600h2o_240305.965
assign (resid 66 and name HB#) (resid 66 and name HA) 3.271 1.471 0.0 !   noesy2d600h2o_240305.969
assign (resid 66 and name HN) (resid 66 and name HA) 3.064 1.264 0.0 !   noesy2d600h2o_240305.967
assign (resid 66 and name HN) (resid 66 and name HB#) 3.480 1.68 0.0 !   noesy2d600h2o_240305.968
assign (resid 67 and name HN) (resid 67 and name HB#) 3.446 1.646 0.0 !   noesy2d600h2o_240305.972
assign (resid 68 and name HN) (resid 68 and name HA) 2.834 1.034 0.0 !   noesy2d600h2o_240305.868
assign (resid 72 and name HD#) (resid 72 and name HA) 4.902 3.102 0.0 !   noesy2d600h2o_240305.42
assign (resid 72 and name HD#) (resid 72 and name HB#) 4.798 2.998 0.0 !   noesy2d600h2o_240305.233
assign (resid 72 and name HD#) (resid 72 and name HB#) 4.455 2.655 0.0 !   noesy2d600h2o_240305.234
assign (resid 72 and name HE3) (resid 72 and name HB#) 4.407 2.607 0.0 !   noesy2d600h2o_240305.432
assign (resid 72 and name HE3) (resid 72 and name HB#) 3.972 2.172 0.0 !   noesy2d600h2o_240305.433
assign (resid 72 and name HN) (resid 72 and name HA) 4.269 2.469 0.0 !   noesy2d600h2o_240305.978
assign (resid 72 and name HN) (resid 72 and name HB#) 4.522 2.722 0.0 !   noesy2d600h2o_240305.980
assign (resid 72 and name HN) (resid 72 and name HB#) 3.844 2.044 0.0 !   noesy2d600h2o_240305.981
assign (resid 72 and name HZ2) (resid 72 and name HH2) 3.300 1.5 0.0 !   noesy2d600h2o_240305.213
assign (resid 72 and name HH2) (resid 72 and name HZ2) 4.575 2.775 0.0 !   noesy2d600h2o_240305.232
assign (resid 72 and name HE3) (resid 72 and name HZ3) 3.132 1.332 0.0 !   noesy2d600h2o_240305.227
assign (resid 72 and name HH2) (resid 72 and name HZ3) 6.000 4.2 0.0 !   noesy2d600h2o_240305.230
assign (resid 72 and name HZ3) (resid 72 and name HH2) 5.616 3.816 0.0 !   noesy2d600h2o_240305.231
assign (resid 69 and name HN) (resid 69 and name HA) 3.029 1.229 0.0 !   noesy2d600h2o_240305.924
assign (resid 69 and name HN) (resid 69 and name HB#) 4.575 2.775 0.0 !   noesy2d600h2o_240305.925
assign (resid 69 and name HN) (resid 69 and name HB#) 4.402 2.602 0.0 !   noesy2d600h2o_240305.926
assign (resid 71 and name HN) (resid 71 and name HA) 4.175 2.375 0.0 !   noesy2d600h2o_240305.787
assign (resid 71 and name HN) (resid 71 and name HA) 2.971 1.171 0.0 !   noesy2d600h2o_240305.976
assign (resid 3 and name HN) (resid 2 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 4 and name HN) (resid 3 and name HA) 3.011 1.211 0.0 !   noesy2d600h2o_240305.457
assign (resid 4 and name HN) (resid 3 and name HB#) 3.874 2.074 0.0 !   noesy2d600h2o_240305.663
assign (resid 4 and name HN) (resid 3 and name HE2#) 4.912 3.112 0.0 !   noesy2d600h2o_240305.674
assign (resid 4 and name HN) (resid 3 and name HG#) 3.347 1.547 0.0 !   noesy2d600h2o_240305.465
assign (resid 4 and name HN) (resid 3 and name HG#) 4.093 2.293 0.0 !   noesy2d600h2o_240305.615
assign (resid 4 and name HN) (resid 3 and name HN) 5.961 4.161 0.0 !   noesy2d600h2o_240305.616
assign (resid 5 and name HN) (resid 4 and name HA) 3.362 1.562 0.0 !   noesy2d600h2o_240305.420
assign (resid 5 and name HN) (resid 4 and name HB#) 4.096 2.296 0.0 !   noesy2d600h2o_240305.492
assign (resid 5 and name HN) (resid 4 and name HG#) 4.536 2.736 0.0 !   noesy2d600h2o_240305.695
assign (resid 5 and name HA) (resid 4 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 6 and name HA) (resid 5 and name HD##) 5.964 4.164 0.0 !   noesy2d600h2o_240305.675
assign (resid 6 and name HA) (resid 5 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.160
assign (resid 6 and name HN) (resid 5 and name HA) 2.428 0.628 0.0 !   noesy2d600h2o_240305.462
assign (resid 6 and name HN) (resid 5 and name HB) 5.195 3.395 0.0 !   noesy2d600h2o_240305.495   
assign (resid 6 and name HN) (resid 5 and name HD##) 5.051 3.251 0.0 !   noesy2d600h2o_240305.393
assign (resid 6 and name HN) (resid 5 and name HG1#) 4.667 2.867 0.0 !   noesy2d600h2o_240305.696
assign (resid 6 and name HN) (resid 5 and name HG##) 4.227 2.427 0.0 !   noesy2d600h2o_240305.372
assign (resid 6 and name HG##) (resid 5 and name HA) 6.000 4.2 0.0 !   noesy2d600_260405.67
assign (resid 5 and name HN) (resid 6 and name HN) 5.441 3.641 0.0 !   noesy2d600h2o_240305.698
assign (resid 7 and name HN) (resid 6 and name HA) 3.019 1.219 0.0 !   noesy2d600h2o_240305.423
assign (resid 7 and name HN) (resid 6 and name HB) 4.022 2.222 0.0 !   noesy2d600h2o_240305.722
assign (resid 7 and name HN) (resid 6 and name HG##) 3.336 1.536 0.0 !   noesy2d600h2o_240305.630
assign (resid 7 and name HN) (resid 6 and name HN) 4.584 2.784 0.0 !   noesy2d600h2o_240305.697
assign (resid 7 and name HN) (resid 8 and name HG##) 6.0 4.2 0.0 !   noesy2d600h2o_240305.632   
assign (resid 8 and name HN) (resid 7 and name HA) 4.829 3.029 0.0 !   noesy2d600h2o_240305.463
assign (resid 8 and name HN) (resid 7 and name HB) 4.733 2.933 0.0 !   noesy2d600h2o_240305.725
assign (resid 8 and name HN) (resid 9 and name HG##) 5.626 3.826 0.0 !   noesy2d600h2o_240305.486
assign (resid 9 and name HN) (resid 8 and name HA) 3.074 1.274 0.0 !   noesy2d600h2o_240305.424
assign (resid 9 and name HN) (resid 8 and name HG##) 6.0 4.2 0.0 !   noesy2d600h2o_240305.631   
assign (resid 8 and name HN) (resid 9 and name HN) 5.004 3.204 0.0 !   noesy2d600h2o_240305.460
assign (resid 10 and name HB#) (resid 11 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.316   
assign (resid 10 and name HB#) (resid 11 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.317   
assign (resid 10 and name HN) (resid 11 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.757   
assign (resid 11 and name HN) (resid 10 and name HB#) 3.410 1.61 0.0 !   noesy2d600h2o_240305.516
assign (resid 11 and name HN) (resid 10 and name HB#) 3.234 1.434 0.0 !   noesy2d600h2o_240305.517
assign (resid 11 and name HN) (resid 10 and name HN) 4.041 2.241 0.0 !   noesy2d600h2o_240305.688
assign (resid 12 and name HB#) (resid 13 and name HB#) 4.740 2.94 0.0 !   noesy2d600h2o_240305.315
assign (resid 12 and name HB#) (resid 13 and name HB#) 4.745 2.945 0.0 !   noesy2d600h2o_240305.737   
assign (resid 13 and name HN) (resid 12 and name HA) 3.148 1.348 0.0 !   noesy2d600h2o_240305.489
assign (resid 13 and name HN) (resid 12 and name HB#) 4.413 2.613 0.0 !   noesy2d600h2o_240305.534
assign (resid 13 and name HN) (resid 12 and name HB#) 4.123 2.323 0.0 !   noesy2d600h2o_240305.535
assign (resid 13 and name HN) (resid 12 and name HN) 5.181 3.381 0.0 !   noesy2d600h2o_240305.369
assign (resid 13 and name HA) (resid 14 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_060405.1033      
assign (resid 13 and name HA) (resid 14 and name HB#) 5.1 3.3 0.0 !   noesy2d600h2o_060405.1033   
assign (resid 13 and name HA) (resid 14 and name HB#) 4.7 2.9 0.0 !   noesy2d600h2o_060405.1033   
assign (resid 14 and name HN) (resid 13 and name HA) 4.161 2.361 0.0 !   noesy2d600h2o_240305.557
assign (resid 14 and name HD#) (resid 15 and name HA) 4.008 2.208 0.0 !   noesy2d600h2o_240305.397
assign (resid 14 and name HE#) (resid 15 and name HA) 5.289 3.489 0.0 !   noesy2d600h2o_240305.398
assign (resid 14 and name HN) (resid 15 and name HA) 6.000 4.2 0.0 !   noesy2d600h2o_240305.556
assign (resid 14 and name HD#) (resid 15 and name HB#) 4.289 2.489 0.0 !   noesy2d600h2o_240305.65
assign (resid 14 and name HD#) (resid 15 and name HB#) 4.159 2.359 0.0 !   noesy2d600h2o_240305.531
assign (resid 14 and name HE#) (resid 15 and name HB#) 4.178 2.378 0.0 !   noesy2d600h2o_240305.530
assign (resid 14 and name HD#) (resid 15 and name HG#) 3.744 1.944 0.0 !   noesy2d600h2o_240305.95
assign (resid 15 and name HG#) (resid 14 and name HD#) 3.506 1.706 0.0 !   noesy2d600h2o_240305.96
assign (resid 14 and name HD#) (resid 15 and name HG#) 3.914 2.114 0.0 !   noesy2d600h2o_240305.97
assign (resid 15 and name HG#) (resid 14 and name HD#) 3.692 1.892 0.0 !   noesy2d600h2o_240305.98
assign (resid 14 and name HE#) (resid 15 and name HG#) 4.743 2.943 0.0 !   noesy2d600h2o_240305.386
assign (resid 14 and name HE#) (resid 15 and name HG#) 4.745 2.945 0.0 !   noesy2d600h2o_240305.443
assign (resid 14 and name HN) (resid 15 and name HG#) 4.508 2.708 0.0 !   noesy2d600h2o_240305.577
assign (resid 15 and name HN) (resid 14 and name HB#) 3.524 1.724 0.0 !   noesy2d600h2o_240305.738
assign (resid 15 and name HN) (resid 14 and name HD#) 4.026 2.226 0.0 !   noesy2d600h2o_240305.414
assign (resid 15 and name HN) (resid 14 and name HN) 4.104 2.304 0.0 !   noesy2d600h2o_240305.383
assign (resid 15 and name HN) (resid 14 and name HA) 3.582 1.782 0.0 !   noesy2d600h2o_240305.389   
assign (resid 16 and name HN) (resid 15 and name HA) 4.685 2.885 0.0 !   noesy2d600h2o_240305.388
assign (resid 16 and name HN) (resid 15 and name HB#) 3.909 2.109 0.0 !   noesy2d600h2o_240305.748
assign (resid 16 and name HN) (resid 15 and name HB#) 3.695 1.895 0.0 !   noesy2d600h2o_240305.749
assign (resid 15 and name HN) (resid 16 and name HN) 4.078 2.278 0.0 !   noesy2d600h2o_240305.382
assign (resid 17 and name HN) (resid 16 and name HD##) 3.987 2.187 0.0 !   noesy2d600h2o_240305.1005
assign (resid 17 and name HN) (resid 16 and name HN) 3.872 2.072 0.0 !           noesy2d600h2o_240305.555
assign (resid 17 and name HN) (resid 16 and name HA) 4.252 2.452 0.0 !           noesy2d600h2o_060405.1030      
assign (resid 17 and name HA) (resid 16 and name HB#) 4.635 2.835 0.0 !   noesy2d600h2o_060405.1031   
assign (resid 17 and name HN) (resid 18 and name HG#) 4.661 2.861 0.0 !   noesy2d600h2o_240305.1009
assign (resid 18 and name HN) (resid 17 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.750
assign (resid 18 and name HN) (resid 17 and name HD##) 5.085 3.285 0.0 !   noesy2d600h2o_240305.751
assign (resid 18 and name HN) (resid 17 and name HB#) 5.910 4.11 0.0 !   noesy2d600h2o_240305.   
assign (resid 19 and name HB#) (resid 18 and name HE#) 5.5 3.7 0.0 !   noesy2d600h2o_240305.   
assign (resid 18 and name HN) (resid 19 and name HA) 4.987 3.187 0.0 !   noesy2d600h2o_240305.445
assign (resid 19 and name HB#) (resid 18 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.110   
assign (resid 18 and name HA) (resid 19 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.877   
assign (resid 18 and name HE#) (resid 19 and name HB#) 4.044 2.244 0.0 !   noesy2d600h2o_240305.337
assign (resid 19 and name HN) (resid 18 and name HA) 3.280 1.48 0.0 !   noesy2d600h2o_240305.763
assign (resid 19 and name HN) (resid 18 and name HB#) 3.678 1.878 0.0 !   noesy2d600h2o_240305.768
assign (resid 19 and name HN) (resid 18 and name HB#) 3.746 1.946 0.0 !   noesy2d600h2o_240305.769
assign (resid 18 and name HN) (resid 19 and name HN) 3.925 2.125 0.0 !   noesy2d600h2o_240305.436
assign (resid 20 and name HN) (resid 19 and name HN) 3.587 1.787 0.0 !           noesy2d600h2o_240305.435
assign (resid 21 and name HN) (resid 20 and name HD#) 4.775 2.975 0.0 !   noesy2d600h2o_240305.733
assign (resid 21 and name HN) (resid 22 and name HB) 3.917 2.117 0.0 !           noesy2d600h2o_240305.799
assign (resid 21 and name HN) (resid 22 and name HG##) 5.099 3.299 0.0 !   noesy2d600h2o_240305.573
assign (resid 21 and name HN) (resid 22 and name HG##) 3.710 1.91 0.0 !   noesy2d600h2o_240305.777
assign (resid 22 and name HG##) (resid 21 and name HB#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.348
assign (resid 22 and name HN) (resid 21 and name HA) 3.651 1.851 0.0 !           noesy2d600h2o_240305.854
assign (resid 21 and name HN) (resid 22 and name HN) 3.228 1.428 0.0 !           noesy2d600h2o_240305.785
assign (resid 23 and name HN) (resid 22 and name HA) 3.860 2.06 0.0 !           noesy2d600h2o_240305.515
assign (resid 23 and name HN) (resid 22 and name HN) 4.734 2.934 0.0 !   noesy2d600h2o_240305.438
assign (resid 23 and name HB#) (resid 24 and name HD##) 4.0 2.2 0.0 !   noesy2d600h2o_240305.588   
assign (resid 23 and name HN) (resid 24 and name HD##) 3.899 2.099 0.0 !   noesy2d600h2o_240305.670
assign (resid 23 and name HN) (resid 24 and name HG1#) 5.266 3.466 0.0 !   noesy2d600h2o_240305.669
assign (resid 23 and name HN) (resid 24 and name HG1#) 5.934 4.134 0.0 !   noesy2d600h2o_240305.788
assign (resid 23 and name HB#) (resid 24 and name HG##) 3.608 1.808 0.0 !   noesy2d600h2o_240305.343
assign (resid 24 and name HG##) (resid 23 and name HB#) 4.333 2.533 0.0 !   noesy2d600h2o_240305.988
assign (resid 25 and name HA) (resid 24 and name HD##) 3.521 1.721 0.0 !   noesy2d600h2o_240305.809
assign (resid 25 and name HA) (resid 24 and name HG##) 4.263 2.463 0.0 !   noesy2d600h2o_240305.810
assign (resid 24 and name HD##) (resid 25 and name HB#) 4.310 2.51 0.0 !   noesy2d600h2o_240305.196
assign (resid 24 and name HG##) (resid 25 and name HB#) 5.698 3.898 0.0 !   noesy2d600h2o_240305.754
assign (resid 25 and name HN) (resid 24 and name HA) 5.341 3.541 0.0 !   noesy2d600h2o_240305.506
assign (resid 25 and name HN) (resid 24 and name HB) 3.809 2.009 0.0 !   noesy2d600h2o_240305.805
assign (resid 25 and name HN) (resid 24 and name HD##) 4.168 2.368 0.0 !   noesy2d600h2o_240305.807
assign (resid 25 and name HN) (resid 24 and name HG1#) 5.039 3.239 0.0 !   noesy2d600h2o_240305.806
assign (resid 25 and name HN) (resid 24 and name HG##) 4.614 2.814 0.0 !   noesy2d600h2o_240305.808
assign (resid 25 and name HN) (resid 24 and name HN) 4.547 2.747 0.0 !   noesy2d600h2o_240305.472
assign (resid 25 and name HB#) (resid 24 and name HN) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 25 and name HB#) (resid 24 and name HN) 6.0 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 25 and name HN) (resid 26 and name HN) 4.861 3.061 0.0 !   noesy2d600h2o_240305.510
assign (resid 27 and name HD##) (resid 26 and name HA#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.804
assign (resid 27 and name HN) (resid 26 and name HA#) 4.551 2.751 0.0 !   noesy2d600h2o_240305.512
assign (resid 27 and name HN) (resid 26 and name HA#) 4.158 2.358 0.0 !   noesy2d600h2o_240305.513
assign (resid 26 and name HN) (resid 27 and name HN) 2.735 0.935 0.0 !   noesy2d600h2o_240305.982
assign (resid 28 and name HA) (resid 27 and name HD##) 4.173 2.373 0.0 !   noesy2d600h2o_240305.566
assign (resid 28 and name HA) (resid 27 and name HD##) 5.656 3.856 0.0 !   noesy2d600h2o_240305.567
assign (resid 27 and name HD##) (resid 28 and name HA) 5.834 4.034 0.0 !   noesy2d600h2o_240305.585
assign (resid 27 and name HD##) (resid 28 and name HA) 5.070 3.27 0.0 !   noesy2d600h2o_240305.586
assign (resid 27 and name HN) (resid 28 and name HB) 4.794 2.994 0.0 !   noesy2d600h2o_240305.841
assign (resid 28 and name HG##) (resid 27 and name HB#) 4.014 2.214 0.0 !   noesy2d600h2o_240305.755
assign (resid 28 and name HG##) (resid 27 and name HB#) 3.304 1.504 0.0 !   noesy2d600h2o_240305.756
assign (resid 27 and name HN) (resid 28 and name HG##) 5.024 3.224 0.0 !   noesy2d600h2o_240305.847
assign (resid 27 and name HD##) (resid 28 and name HG##) 3.467 1.667 0.0 !   noesy2d600h2o_240305.143
assign (resid 28 and name HN) (resid 27 and name HA) 5.073 3.273 0.0 !   noesy2d600h2o_240305.843
assign (resid 28 and name HN) (resid 27 and name HB#) 4.245 2.445 0.0 !   noesy2d600h2o_240305.762
assign (resid 28 and name HN) (resid 27 and name HN) 4.280 2.48 0.0 !   noesy2d600h2o_240305.507
assign (resid 28 and name HG##) (resid 29 and name HB#) 4.214 2.414 0.0 !   noesy2d600h2o_240305.293
assign (resid 28 and name HG##) (resid 29 and name HB#) 5.649 3.849 0.0 !   noesy2d600h2o_240305.294
assign (resid 29 and name HB#) (resid 28 and name HG##) 4.175 2.375 0.0 !   noesy2d600h2o_240305.848
assign (resid 29 and name HB#) (resid 28 and name HG##) 5.967 4.167 0.0 !   noesy2d600h2o_240305.706
assign (resid 29 and name HN) (resid 28 and name HA) 5.096 3.296 0.0 !   noesy2d600h2o_240305.425
assign (resid 29 and name HN) (resid 28 and name HB) 4.703 2.903 0.0 !   noesy2d600h2o_240305.638
assign (resid 29 and name HN) (resid 28 and name HG##) 4.649 2.849 0.0 !   noesy2d600h2o_240305.470
assign (resid 29 and name HN) (resid 28 and name HG##) 4.130 2.33 0.0 !   noesy2d600h2o_240305.633
assign (resid 29 and name HN) (resid 28 and name HN) 4.034 2.234 0.0 !   noesy2d600h2o_240305.439
assign (resid 29 and name HN) (resid 30 and name HN) 4.222 2.422 0.0 !   noesy2d600h2o_240305.440
assign (resid 30 and name HG##) (resid 31 and name HA) 3.864 2.064 0.0 !   noesy2d600h2o_240305.165
assign (resid 30 and name HN) (resid 31 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.874   
assign (resid 31 and name HN) (resid 30 and name HB) 4.141 2.341 0.0 !   noesy2d600h2o_240305.705
assign (resid 31 and name HN) (resid 30 and name HB) 3.439 1.639 0.0 !   noesy2d600h2o_240305.853
assign (resid 30 and name HN) (resid 31 and name HN) 3.551 1.751 0.0 !   noesy2d600h2o_240305.983
assign (resid 32 and name HA) (resid 31 and name HG##) 3.8 2.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 31 and name HG##) (resid 32 and name HE#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.685
assign (resid 31 and name HG##) (resid 32 and name HG#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.150
assign (resid 32 and name HN) (resid 31 and name HN) 3.489 1.689 0.0 !           noesy2d600h2o_240305.641
assign (resid 33 and name HN) (resid 32 and name HA) 4.5 2.7 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HN) (resid 32 and name HN) 3.359 1.559 0.0 !           noesy2d600h2o_240305.984
assign (resid 33 and name HN) (resid 34 and name HN) 3.284 1.484 0.0 !           noesy2d600h2o_240305.606
assign (resid 33 and name HN) (resid 34 and name HB#) 5.0 3.2 0.0 !           noesy2d600h2o_240305.   
assign (resid 35 and name HN) (resid 34 and name HB#) 4.039 2.239 0.0 !   noesy2d600h2o_240305.592
assign (resid 35 and name HN) (resid 34 and name HB#) 4.515 2.715 0.0 !   noesy2d600h2o_240305.593
assign (resid 34 and name HN) (resid 35 and name HN) 3.665 1.865 0.0 !           noesy2d600h2o_240305.603
assign (resid 36 and name HN) (resid 35 and name HA) 4.339 2.539 0.0 !           noesy2d600h2o_240305.456
assign (resid 36 and name HN) (resid 35 and name HN) 3.650 1.85 0.0 !           noesy2d600h2o_240305.454
assign (resid 37 and name HN) (resid 36 and name HB#) 3.661 1.861 0.0 !   noesy2d600h2o_240305.876
assign (resid 36 and name HN) (resid 37 and name HN) 3.888 2.088 0.0 !           noesy2d600h2o_240305.455
assign (resid 38 and name HA) (resid 37 and name HB#) 3.327 1.527 0.0 !   noesy2d600h2o_240305.893
assign (resid 38 and name HN) (resid 37 and name HA) 4.050 2.25 0.0 !   noesy2d600h2o_240305.553
assign (resid 38 and name HN) (resid 37 and name HD#) 5.367 3.567 0.0 !   noesy2d600h2o_240305.894
assign (resid 38 and name HN) (resid 37 and name HD#) 4.310 2.51 0.0 !   noesy2d600h2o_240305.895
assign (resid 38 and name HN) (resid 37 and name HG#) 4.176 2.376 0.0 !   noesy2d600h2o_240305.896
assign (resid 37 and name HN) (resid 38 and name HN) 3.198 1.398 0.0 !   noesy2d600h2o_240305.892
assign (resid 38 and name HN) (resid 39 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.410
assign (resid 38 and name HN) (resid 39 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.411
assign (resid 39 and name HN) (resid 38 and name HN) 3.713 1.913 0.0 !   noesy2d600h2o_240305.437
assign (resid 39 and name HD##) (resid 40 and name HB#) 5.418 3.618 0.0 !   noesy2d600h2o_240305.145
assign (resid 42 and name HN) (resid 41 and name HB#) 3.924 2.124 0.0 !   noesy2d600h2o_240305.832
assign (resid 50 and name HN) (resid 49 and name HG#) 4.681 2.881 0.0 !   noesy2d600h2o_240305.932
assign (resid 50 and name HN) (resid 49 and name HN) 5.035 3.235 0.0 !   noesy2d600h2o_240305.928
assign (resid 58 and name HD#) (resid 59 and name HA) 4.052 2.252 0.0 !   noesy2d600h2o_240305.835
assign (resid 58 and name HE#) (resid 59 and name HA) 6.000 4.2 0.0 !           noesy2d600h2o_240305.836
assign (resid 58 and name HN) (resid 59 and name HA) 4.862 3.062 0.0 !           noesy2d600h2o_240305.954
assign (resid 58 and name HD#) (resid 59 and name HG1#) 4.821 3.021 0.0 !   noesy2d600h2o_240305.840
assign (resid 58 and name HN) (resid 59 and name HG1#) 3.743 1.943 0.0 !   noesy2d600h2o_240305.952
assign (resid 59 and name HN) (resid 58 and name HA) 3.069 1.269 0.0 !           noesy2d600h2o_240305.827
assign (resid 59 and name HN) (resid 58 and name HB#) 4.058 2.258 0.0 !   noesy2d600h2o_240305.813
assign (resid 59 and name HN) (resid 58 and name HB#) 3.837 2.037 0.0 !   noesy2d600h2o_240305.814
assign (resid 59 and name HN) (resid 58 and name HD#) 4.669 2.869 0.0 !   noesy2d600h2o_240305.823
assign (resid 58 and name HN) (resid 59 and name HN) 3.502 1.702 0.0 !           noesy2d600h2o_240305.953
assign (resid 52 and name HN) (resid 51 and name HA#) 3.226 1.426 0.0 !   noesy2d600h2o_240305.921
assign (resid 52 and name HN) (resid 51 and name HN) 5.295 3.495 0.0 !   noesy2d600h2o_240305.919
assign (resid 56 and name HB#) (resid 55 and name HA) 5.699 3.899 0.0 !   noesy2d600h2o_240305.1020
assign (resid 55 and name HN) (resid 56 and name HB#) 5.487 3.687 0.0 !   noesy2d600h2o_240305.936
assign (resid 56 and name HN) (resid 55 and name HA) 3.158 1.358 0.0 !           noesy2d600h2o_240305.938
assign (resid 56 and name HN) (resid 55 and name HB) 3.453 1.653 0.0 !           noesy2d600h2o_240305.935
assign (resid 56 and name HN) (resid 55 and name HG##) 4.190 2.39 0.0 !   noesy2d600h2o_240305.782
assign (resid 56 and name HN) (resid 55 and name HN) 3.666 1.866 0.0 !           noesy2d600h2o_240305.778
assign (resid 57 and name HN) (resid 56 and name HB#) 3.953 2.153 0.0 !   noesy2d600h2o_240305.939
assign (resid 56 and name HN) (resid 57 and name HN) 3.503 1.703 0.0 !  noesy2d600h2o_240305.940
assign (resid 58 and name HN) (resid 57 and name HA) 2.939 1.139 0.0 !           noesy2d600h2o_240305.943
assign (resid 58 and name HN) (resid 57 and name HB#) 3.591 1.791 0.0 !   noesy2d600h2o_240305.946
assign (resid 60 and name HN) (resid 59 and name HD##) 4.184 2.384 0.0 !   noesy2d600h2o_240305.959
assign (resid 60 and name HN) (resid 59 and name HN) 3.918 2.118 0.0 !   noesy2d600h2o_240305.831
assign (resid 65 and name HN) (resid 64 and name HA) 3.749 1.949 0.0 !   noesy2d600h2o_240305.963
assign (resid 66 and name HN) (resid 65 and name HA) 3.653 1.853 0.0 !   noesy2d600h2o_240305.966
assign (resid 68 and name HN) (resid 67 and name HB#) 5.601 3.801 0.0 !   noesy2d600h2o_240305.971
assign (resid 69 and name HN) (resid 68 and name HA) 2.989 1.189 0.0 !   noesy2d600h2o_240305.973
assign (resid 69 and name HN) (resid 70 and name HN) 5.255 3.455 0.0 !   noesy2d600h2o_240305.974
assign (resid 70 and name HN) (resid 71 and name HA) 3.535 1.735 0.0 !   noesy2d600h2o_240305.975
assign (resid 70 and name HN) (resid 71 and name HA) 3.535 1.735 0.0 !   noesy2d600h2o_240305.977
assign (resid 72 and name HN) (resid 71 and name HA) 3.659 1.859 0.0 !   noesy2d600h2o_240305.979   
assign (resid 71 and name HN) (resid 72 and name HN) 4.243 2.443 0.0 !   noesy2d600h2o_240305.452
assign (resid 4 and name HA) (resid 2 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 3 and name HE2#) (resid 5 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.396
assign (resid 5 and name HD##) (resid 3 and name HG#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.401
assign (resid 3 and name HG#) (resid 5 and name HD##) 5.710 3.91 0.0 !   noesy2d600h2o_240305.613
assign (resid 3 and name HE2#) (resid 5 and name HG##) 5.225 3.425 0.0 !   noesy2d600h2o_240305.373
assign (resid 3 and name HE2#) (resid 5 and name HG##) 4.260 2.46 0.0 !   noesy2d600h2o_240305.374
assign (resid 3 and name HG#) (resid 5 and name HG##) 3.794 1.994 0.0 !   noesy2d600h2o_240305.34
assign (resid 5 and name HG##) (resid 3 and name HG#) 3.989 2.189 0.0 !   noesy2d600h2o_240305.44
assign (resid 3 and name HG#) (resid 5 and name HG##) 4.382 2.582 0.0 !   noesy2d600h2o_240305.119
assign (resid 5 and name HN) (resid 3 and name HG#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.490
assign (resid 4 and name HG#) (resid 6 and name HB) 3.368 1.568 0.0 !   noesy2d600h2o_240305.161
assign (resid 6 and name HB) (resid 4 and name HG#) 3.080 1.28 0.0 !   noesy2d600h2o_240305.297
assign (resid 4 and name HG#) (resid 6 and name HB) 4.586 2.786 0.0 !   noesy2d600h2o_240305.701
assign (resid 6 and name HG##) (resid 4 and name HB#) 3.546 1.746 0.0 !   noesy2d600h2o_240305.239
assign (resid 6 and name HG##) (resid 4 and name HB#) 3.443 1.643 0.0 !   noesy2d600h2o_240305.240
assign (resid 4 and name HD#) (resid 6 and name HG##) 3.626 1.822 0.0 !   noesy2d600h2o_240305.54
assign (resid 6 and name HG##) (resid 4 and name HD#) 3.609 1.809 0.0 !   noesy2d600h2o_240305.57
assign (resid 4 and name HD#) (resid 6 and name HG##) 4.582 2.782 0.0 !   noesy2d600h2o_240305.274
assign (resid 6 and name HG##) (resid 4 and name HD#) 4.565 2.765 0.0 !   noesy2d600h2o_240305.1023
assign (resid 6 and name HG##) (resid 4 and name HG#) 5.000 3.2 0.0 !   noesy2d600h2o_240305.235   
assign (resid 6 and name HG##) (resid 4 and name HG#) 5.000 3.2 0.0 !   noesy2d600h2o_240305.236   
assign (resid 7 and name HB) (resid 5 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.724
assign (resid 7 and name HG##) (resid 5 and name HB) 5.335 3.535 0.0 !   noesy2d600h2o_240305.619
assign (resid 5 and name HD##) (resid 7 and name HG##) 4.154 2.354 0.0 !   noesy2d600h2o_240305.39
assign (resid 7 and name HG##) (resid 5 and name HG1#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.90
assign (resid 7 and name HG##) (resid 5 and name HG##) 4.511 2.711 0.0 !   noesy2d600h2o_240305.19
assign (resid 5 and name HG##) (resid 7 and name HG##) 4.509 2.709 0.0 !   noesy2d600h2o_240305.31
assign (resid 7 and name HG##) (resid 5 and name HG##) 3.985 2.185 0.0 !   noesy2d600h2o_240305.32
assign (resid 7 and name HG##) (resid 5 and name HG##) 3.932 2.132 0.0 !   noesy2d600h2o_240305.88
assign (resid 7 and name HN) (resid 5 and name HD##) 5.238 3.438 0.0 !   noesy2d600h2o_240305.394
assign (resid 7 and name HN) (resid 5 and name HG##) 5.268 3.468 0.0 !   noesy2d600h2o_240305.371
assign (resid 6 and name HA) (resid 9 and name HG##) 6.0 4.2 0.0 !   noesy2d600h2o_240305.28   
assign (resid 9 and name HG##) (resid 7 and name HG##) 3.769 1.969 0.0 !   noesy2d600h2o_240305.208
assign (resid 10 and name HN) (resid 14 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.734   
assign (resid 10 and name HN) (resid 14 and name HD#) 4.932 3.132 0.0 !   noesy2d600h2o_240305.415
assign (resid 10 and name HB#) (resid 14 and name HE#) 5.3 3.5 0.0 !   noesy2d600h2o_240305.   
assign (resid 15 and name HN) (resid 13 and name HA) 5.244 3.444 0.0 !   noesy2d600h2o_240305.740
assign (resid 14 and name HN) (resid 16 and name HN) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 17 and name HN) (resid 14 and name HA) 3.8 2.0 0.0 !           noesy2d600h2o_060405.   
assign (resid 17 and name HB#) (resid 14 and name HA) 3.7 1.9 0.0 !   noesy2d600h2o_060405.1037   
assign (resid 17 and name HB#) (resid 14 and name HA) 3.9 2.1 0.0 !   noesy2d600h2o_060405.1037   
assign (resid 17 and name HD##) (resid 14 and name HB#) 6.000 4.2 0.0 !   noesy2d600h2o_060405.1037   
assign (resid 14 and name HA) (resid 18 and name HN) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 14 and name HD#) (resid 18 and name HE#) 3.873 2.073 0.0 !   noesy2d600h2o_240305.1030
assign (resid 14 and name HE#) (resid 18 and name HE#) 4.877 3.077 0.0 !   noesy2d600h2o_240305.1029
assign (resid 14 and name HA) (resid 18 and name HG#) 4.541 2.741 0.0 !   noesy2d600h2o_240305.335
assign (resid 14 and name HD#) (resid 18 and name HG#) 4.079 2.279 0.0 !   noesy2d600h2o_240305.137
assign (resid 14 and name HE#) (resid 18 and name HG#) 3.529 1.729 0.0 !   noesy2d600h2o_240305.136
assign (resid 18 and name HG#) (resid 15 and name HA) 4.901 3.101 0.0 !   noesy2d600h2o_240305.216
assign (resid 15 and name HA) (resid 18 and name HG#) 3.890 2.09 0.0 !   noesy2d600h2o_240305.522
assign (resid 15 and name HG#) (resid 18 and name HG#) 5.121 3.321 0.0 !   noesy2d600h2o_240305.745
assign (resid 14 and name HA) (resid 17 and name HB#) 4.880 3.08 0.0 !           noesy2d600h2o_240305.   
assign (resid 19 and name HB#) (resid 16 and name HA) 3.8 2.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 19 and name HB#) (resid 16 and name HD##) 3.967 2.167 0.0 !   noesy2d600h2o_240305.194
assign (resid 19 and name HB#) (resid 16 and name HD##) 3.744 1.944 0.0 !   noesy2d600h2o_240305.195
assign (resid 16 and name HD##) (resid 19 and name HB#) 3.620 1.82 0.0 !   noesy2d600h2o_240305.665
assign (resid 16 and name HD##) (resid 19 and name HB#) 3.805 2.005 0.0 !   noesy2d600h2o_240305.666
assign (resid 19 and name HN) (resid 16 and name HA) 3.768 1.968 0.0 !   noesy2d600h2o_240305.391
assign (resid 16 and name HA) (resid 20 and name HN) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 16 and name HD2#) (resid 20 and name HD#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.100   
assign (resid 20 and name HD#) (resid 16 and name HD2#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.102   
assign (resid 20 and name HE#) (resid 16 and name HB#) 5.146 3.346 0.0 !   noesy2d600h2o_240305.760
assign (resid 20 and name HE#) (resid 16 and name HD2#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.71   
assign (resid 16 and name HD2#) (resid 20 and name HE#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.101   
assign (resid 20 and name HB#) (resid 17 and name HA) 4.0 2.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 20 and name HD#) (resid 17 and name HA) 4.048 2.248 0.0 !   noesy2d600h2o_240305.1007
assign (resid 20 and name HD#) (resid 17 and name HD##) 5.211 3.411 0.0 !   noesy2d600h2o_240305.672
assign (resid 20 and name HD#) (resid 17 and name HD2#) 4.667 2.867 0.0 !   noesy2d600h2o_240305.72
assign (resid 20 and name HE#) (resid 17 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.673
assign (resid 20 and name HE#) (resid 17 and name HD2#) 5.584 3.784 0.0 !   noesy2d600h2o_240305.499
assign (resid 21 and name HN) (resid 17 and name HB#) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 21 and name HN) (resid 17 and name HD##) 4.375 2.575 0.0 !   noesy2d600h2o_240305.   
assign (resid 21 and name HN) (resid 18 and name HG#) 5.0 3.2 0.0 !           noesy2d600h2o_240305.775   
assign (resid 18 and name HN) (resid 22 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 25 and name HN) (resid 22 and name HA) 5.135 3.335 0.0 !   noesy2d600h2o_240305.639
assign (resid 26 and name HN) (resid 22 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.855
assign (resid 26 and name HN) (resid 24 and name HA) 5.629 3.829 0.0 !   noesy2d600h2o_240305.478
assign (resid 24 and name HA) (resid 27 and name HB#) 3.778 1.978 0.0 !   noesy2d600h2o_240305.565
assign (resid 27 and name HD##) (resid 24 and name HA) 6.000 4.2 0.0 !   noesy2d600h2o_240305.795
assign (resid 27 and name HD##) (resid 24 and name HG1#) 3.534 1.734 0.0 !   noesy2d600h2o_240305.265
assign (resid 27 and name HD##) (resid 24 and name HG##) 3.297 1.497 0.0 !   noesy2d600h2o_240305.345
assign (resid 27 and name HN) (resid 24 and name HA) 4.193 2.393 0.0 !   noesy2d600h2o_240305.511
assign (resid 25 and name HN) (resid 27 and name HN) 6.0 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 24 and name HA) (resid 28 and name HG##) 4.889 3.089 0.0 !   noesy2d600h2o_240305.306
assign (resid 28 and name HN) (resid 24 and name HA) 5.531 3.731 0.0 !   noesy2d600h2o_240305.447
assign (resid 28 and name HG##) (resid 24 and name HA) 6.000 4.2 0.0 !   noesy2d600h2o_240305.625
assign (resid 28 and name HB) (resid 25 and name HA) 5.0 3.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 28 and name HG##) (resid 25 and name HA) 5.648 3.848 0.0 !   noesy2d600h2o_240305.811
assign (resid 25 and name HB#) (resid 28 and name HG##) 4.354 2.554 0.0 !   noesy2d600h2o_240305.309
assign (resid 28 and name HG##) (resid 25 and name HB#) 5.213 3.413 0.0 !   noesy2d600h2o_240305.703
assign (resid 25 and name HB#) (resid 28 and name HG##) 5.463 3.663 0.0 !   noesy2d600h2o_240305.747
assign (resid 28 and name HN) (resid 25 and name HB#) 4.802 3.002 0.0 !   noesy2d600h2o_240305.791
assign (resid 28 and name HG##) (resid 26 and name HA#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.803
assign (resid 29 and name HN) (resid 25 and name HA) 5.000 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 29 and name HN) (resid 26 and name HN) 6.000 4.2 0.0 !   noesy2d600h2o_240305.508
assign (resid 29 and name HN) (resid 26 and name HA#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 29 and name HN) (resid 26 and name HA#) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 29 and name HN) (resid 27 and name HN) 6.000 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 26 and name HN) (resid 30 and name HG##) 5.932 4.132 0.0 !   noesy2d600h2o_240305.856
assign (resid 30 and name HN) (resid 27 and name HA) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 27 and name HD##) (resid 30 and name HB) 6.000 4.2 0.0 !   noesy2d600h2o_240305.178
assign (resid 30 and name HG##) (resid 27 and name HA) 4.505 2.705 0.0 !   noesy2d600h2o_240305.144
assign (resid 30 and name HG##) (resid 27 and name HB#) 5.544 3.744 0.0 !   noesy2d600h2o_240305.820
assign (resid 30 and name HG##) (resid 27 and name HD##) 3.434 1.634 0.0 !   noesy2d600h2o_240305.156
assign (resid 27 and name HD##) (resid 30 and name HG##) 3.740 1.94 0.0 !   noesy2d600h2o_240305.214
assign (resid 27 and name HD##) (resid 30 and name HG##) 4.069 2.269 0.0 !   noesy2d600h2o_240305.215
assign (resid 28 and name HN) (resid 30 and name HN) 6.0 4.2 0.0 !   noesy2d600h2o_240305.   
assign (resid 31 and name HN) (resid 27 and name HA) 4.8 3.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 31 and name HG##) (resid 27 and name HD##) 3.529 1.729 0.0 !   noesy2d600h2o_240305.157
assign (resid 31 and name HB) (resid 28 and name HA) 3.8 2.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 31 and name HG##) (resid 28 and name HA) 4.092 2.292 0.0 !   noesy2d600h2o_240305.164
assign (resid 28 and name HA) (resid 31 and name HG##) 3.780 1.98 0.0 !   noesy2d600h2o_240305.299
assign (resid 31 and name HG##) (resid 28 and name HG##) 3.894 2.094 0.0 !   noesy2d600h2o_240305.166
assign (resid 28 and name HG##) (resid 31 and name HG##) 4.775 2.975 0.0 !   noesy2d600h2o_240305.700
assign (resid 31 and name HN) (resid 28 and name HA) 5.876 4.076 0.0 !   noesy2d600h2o_240305.844
assign (resid 29 and name HN) (resid 31 and name HN) 5.8 4.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 32 and name HN) (resid 28 and name HA) 5.8 4.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 32 and name HN) (resid 29 and name HA) 5.8 4.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 32 and name HB#) (resid 29 and name HA) 4.8 3.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HN) (resid 29 and name HA) 6.0 4.2 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HB#) (resid 30 and name HA) 5.6 3.8 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HB#) (resid 30 and name HA) 6.0 4.2 0.0 !           noesy2d600h2o_240305.   
assign (resid 30 and name HG##) (resid 33 and name HB#) 4.256 2.456 0.0 !   noesy2d600h2o_240305.67
assign (resid 33 and name HN) (resid 30 and name HA) 4.790 2.99 0.0 !           noesy2d600h2o_240305.862
assign (resid 33 and name HN) (resid 31 and name HN) 5.5 3.7 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HN) (resid 30 and name HG##) 5.187 3.387 0.0 !   noesy2d600h2o_240305.   
assign (resid 30 and name HG##) (resid 34 and name HB#) 3.939 2.139 0.0 !   noesy2d600h2o_240305.990
assign (resid 30 and name HG##) (resid 34 and name HB#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.991
assign (resid 31 and name HA) (resid 34 and name HB#) 4.8 2.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 31 and name HA) (resid 34 and name HB#) 4.8 2.0 0.0 !   noesy2d600h2o_240305.   
assign (resid 31 and name HG##) (resid 34 and name HB#) 3.803 2.003 0.0 !   noesy2d600h2o_240305.992
assign (resid 34 and name HD2#) (resid 31 and name HG##) 3.983 2.183 0.0 !   noesy2d600h2o_240305.496
assign (resid 34 and name HD2#) (resid 31 and name HG##) 4.330 2.53 0.0 !   noesy2d600h2o_240305.643
assign (resid 34 and name HN) (resid 31 and name HA) 3.628 1.828 0.0 !           noesy2d600h2o_240305.873
assign (resid 31 and name HG##) (resid 35 and name HG#) 5.049 3.249 0.0 !   noesy2d600h2o_240305.993
assign (resid 35 and name HN) (resid 31 and name HA) 4.974 3.174 0.0 !           noesy2d600h2o_240305.872
assign (resid 35 and name HN) (resid 32 and name HA) 5.8 3.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 33 and name HA) (resid 36 and name HB#) 2.841 1.041 0.0 !   noesy2d600h2o_240305.864
assign (resid 33 and name HG#) (resid 36 and name HB#) 5.0 3.2 0.0 !           noesy2d600h2o_240305.864   
assign (resid 33 and name HB#) (resid 36 and name HB#) 4.6 2.8 0.0 !           noesy2d600h2o_240305.864   
assign (resid 33 and name HB#) (resid 36 and name HB#) 3.7 1.9 0.0 !           noesy2d600h2o_240305.864   
assign (resid 34 and name HN) (resid 36 and name HB#) 5.289 3.489 0.0 !   noesy2d600h2o_240305.865
assign (resid 37 and name HN) (resid 33 and name HA) 3.790 1.99 0.0 !           noesy2d600h2o_240305.882
assign (resid 37 and name HN) (resid 34 and name HA) 3.399 1.599 0.0 !           noesy2d600h2o_240305.881
assign (resid 37 and name HB#) (resid 34 and name HA) 3.8 2.0 0.0 !           noesy2d600h2o_240305.   
assign (resid 37 and name HN) (resid 35 and name HN) 6.0 4.2 0.0 !           noesy2d600h2o_240305.   
assign (resid 38 and name HN) (resid 34 and name HA) 3.805 2.005 0.0 !   noesy2d600h2o_240305.890
assign (resid 38 and name HN) (resid 35 and name HA) 4.907 3.107 0.0 !   noesy2d600h2o_240305.889
assign (resid 36 and name HN) (resid 38 and name HN) 5.449 3.649 0.0 !   noesy2d600h2o_240305.607
assign (resid 36 and name HA) (resid 39 and name HB#) 4.192 2.392 0.0 !   noesy2d600h2o_240305.562
assign (resid 39 and name HD##) (resid 36 and name HA) 5.356 3.556 0.0 !   noesy2d600h2o_240305.147
assign (resid 36 and name HA) (resid 39 and name HD##) 4.105 2.305 0.0 !   noesy2d600h2o_240305.349
assign (resid 36 and name HA) (resid 39 and name HD##) 4.634 2.834 0.0 !   noesy2d600h2o_240305.417
assign (resid 39 and name HD##) (resid 36 and name HB#) 5.240 3.44 0.0 !   noesy2d600h2o_240305.878
assign (resid 39 and name HD##) (resid 36 and name HB#) 5.086 3.286 0.0 !   noesy2d600h2o_240305.879
assign (resid 39 and name HN) (resid 36 and name HB#) 4.790 2.99 0.0 !   noesy2d600h2o_240305.866
assign (resid 39 and name HN) (resid 37 and name HN) 4.659 2.859 0.0 !   noesy2d600h2o_240305.985
assign (resid 58 and name HB#) (resid 56 and name HB#) 5.987 4.187 0.0 !   noesy2d600h2o_240305.951
assign (resid 68 and name HN) (resid 66 and name HB#) 4.886 3.086 0.0 !   noesy2d600h2o_240305.970
assign (resid 12 and name HN) (resid 7 and name HG##) 4.950 3.15 0.0 !   noesy2d600h2o_240305.408   
assign (resid 12 and name HN) (resid 7 and name HG##) 4.950 3.15 0.0 !   noesy2d600h2o_240305.691   
assign (resid 7 and name HG##) (resid 13 and name HB#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.1016
assign (resid 7 and name HG##) (resid 13 and name HB#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.1017
assign (resid 7 and name HG##) (resid 14 and name HA) 4.659 2.859 0.0 !   noesy2d600h2o_240305.728
assign (resid 7 and name HG##) (resid 14 and name HA) 5.113 3.313 0.0 !   noesy2d600h2o_240305.207
assign (resid 7 and name HG##) (resid 14 and name HB#) 4.901 3.101 0.0 !   noesy2d600h2o_240305.58
assign (resid 7 and name HG##) (resid 14 and name HB#) 5.178 3.378 0.0 !   noesy2d600h2o_240305.503
assign (resid 14 and name HD#) (resid 7 and name HG##) 4.324 2.524 0.0 !   noesy2d600h2o_240305.17 
assign (resid 14 and name HD#) (resid 7 and name HG##) 4.773 2.973 0.0 !   noesy2d600h2o_240305.290
assign (resid 7 and name HG##) (resid 14 and name HD#) 4.233 2.433 0.0 !   noesy2d600h2o_240305.122
assign (resid 14 and name HE#) (resid 7 and name HG##) 5.504 3.704 0.0 !   noesy2d600h2o_240305.16 
assign (resid 14 and name HE#) (resid 7 and name HG##) 4.679 2.879 0.0 !   noesy2d600h2o_240305.683
assign (resid 14 and name HN) (resid 7 and name HG##) 5.476 3.676 0.0 !   noesy2d600h2o_240305.409
assign (resid 9 and name HG##) (resid 14 and name HA) 4.787 2.987 0.0 !   noesy2d600h2o_240305.176
assign (resid 10 and name HN) (resid 15 and name HA) 4.603 2.803 0.0 !   noesy2d600h2o_240305.561
assign (resid 14 and name HD#) (resid 24 and name HD##) 3.605 1.805 0.0 !   noesy2d600h2o_240305.64
assign (resid 14 and name HE#) (resid 24 and name HD##) 3.518 1.718 0.0 !   noesy2d600h2o_240305.61
assign (resid 14 and name HD#) (resid 24 and name HG1#) 3.466 1.666 0.0 !   noesy2d600h2o_240305.63
assign (resid 14 and name HD#) (resid 24 and name HG1#) 5.486 3.686 0.0 !   noesy2d600h2o_240305.682
assign (resid 14 and name HE#) (resid 24 and name HG1#) 3.282 1.482 0.0 !   noesy2d600h2o_240305.62
assign (resid 14 and name HE#) (resid 24 and name HG1#) 4.501 2.701 0.0 !   noesy2d600h2o_240305.681
assign (resid 14 and name HD#) (resid 24 and name HG##) 5.719 3.919 0.0 !   noesy2d600h2o_060405.1045   
assign (resid 14 and name HE#) (resid 24 and name HG##) 4.555 2.755 0.0 !   noesy2d600h2o_060405.1044   
assign (resid 24 and name HG##) (resid 14 and name HA) 3.718 1.918 0.0 !   noesy2d600h2o_240305.191
assign (resid 14 and name HE#) (resid 25 and name HB#) 4.271 2.471 0.0 !   noesy2d600h2o_240305.10   
assign (resid 28 and name HB) (resid 5 and name HD##) 5.774 3.974 0.0 !   noesy2d600h2o_240305.676
assign (resid 5 and name HD##) (resid 28 and name HG##) 4.800 3.0 0.0 !   noesy2d600h2o_240305.200
assign (resid 28 and name HG##) (resid 5 and name HD##) 4.424 2.624 0.0 !   noesy2d600h2o_240305.247
assign (resid 28 and name HG##) (resid 5 and name HD##) 4.839 3.039 0.0 !   noesy2d600h2o_240305.248
assign (resid 5 and name HD##) (resid 28 and name HG##) 4.449 2.649 0.0 !   noesy2d600h2o_240305.849
assign (resid 28 and name HG##) (resid 5 and name HG1#) 3.160 1.36 0.0 !   noesy2d600h2o_240305.249
assign (resid 5 and name HG1#) (resid 28 and name HG##) 4.979 3.179 0.0 !   noesy2d600h2o_240305.250
assign (resid 28 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.151
assign (resid 5 and name HG##) (resid 28 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.621
assign (resid 28 and name HG##) (resid 5 and name HG##) 5.718 3.918 0.0 !   noesy2d600h2o_240305.699
assign (resid 14 and name HD#) (resid 28 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.628
assign (resid 14 and name HE#) (resid 28 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.271
assign (resid 32 and name HE#) (resid 5 and name HD##) 4.009 2.209 0.0 !   noesy2d600h2o_240305.50   
assign (resid 5 and name HD##) (resid 32 and name HE#) 4.564 2.764 0.0 !   noesy2d600h2o_240305.51   
assign (resid 32 and name HE#) (resid 5 and name HG##) 5.781 3.981 0.0 !   intermol600h2o_280305.52   
assign (resid 5 and name HG##) (resid 32 and name HE#) 6.000 4.2 0.0 !   intermol600h2o_280305.77
assign (resid 106 and name HG##) (resid 5 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.47
assign (resid 6 and name HG##) (resid 105 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.47
assign (resid 6 and name HG##) (resid 106 and name HB) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 106 and name HG##) (resid 6 and name HB) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 6 and name HG##) (resid 106 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 106 and name HG##) (resid 6 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 103 and name HG#) (resid 7 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.8
assign (resid 107 and name HG##) (resid 3 and name HG#) 6.000 4.2 0.0 !   intermol600h2o_280305.10
assign (resid 103 and name HG#) (resid 7 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.33
assign (resid 103 and name HN) (resid 7 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.80
assign (resid 3 and name HN) (resid 107 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.80
assign (resid 107 and name HG##) (resid 3 and name HG#) 6.000 4.2 0.0 !   intermol600h2o_280305.107
assign (resid 7 and name HG##) (resid 103 and name HG#) 6.000 4.2 0.0 !   intermol600h2o_280305.107
assign (resid 107 and name HG##) (resid 4 and name HB#) 6.000 4.2 0.0 !   intermol600h2o_280305.115
assign (resid 7 and name HG##) (resid 104 and name HB#) 6.000 4.2 0.0 !   intermol600h2o_280305.115
assign (resid 107 and name HN) (resid 4 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.83
assign (resid 7 and name HN) (resid 104 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.83
assign (resid 105 and name HN) (resid 7 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.156
assign (resid 5 and name HN) (resid 107 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.156
assign (resid 105 and name HN) (resid 7 and name HN) 6.000 4.2 0.0 !   intermol600h2o_280305.110
assign (resid 5 and name HN) (resid 107 and name HN) 6.000 4.2 0.0 !   intermol600h2o_280305.110
assign (resid 107 and name HB) (resid 5 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.724   
assign (resid 7 and name HB) (resid 105 and name HD##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.724   
assign (resid 107 and name HG##) (resid 5 and name HB) 6.000 4.2 0.0 !   noesy2d600h2o_240305.619   
assign (resid 105 and name HD##) (resid 7 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.39   
assign (resid 107 and name HG##) (resid 5 and name HG1#) 6.000 4.2 0.0 !   noesy2d600h2o_240305.90   
assign (resid 107 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.19   
assign (resid 105 and name HG##) (resid 7 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.31   
assign (resid 107 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.32   
assign (resid 107 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   noesy2d600h2o_240305.88   
assign (resid 108 and name HG##) (resid 3 and name HA) 6.0 4.2 0.0 !   intermol600h2o_280305.48   
assign (resid 8 and name HG##) (resid 103 and name HA) 6.0 4.2 0.0 !   intermol600h2o_280305.48   
assign (resid 103 and name HN) (resid 8 and name HG##) 6.0 4.2 0.0 !   intermol600h2o_280305.111   
assign (resid 3 and name HN) (resid 108 and name HG##) 6.0 4.2 0.0 !   intermol600h2o_280305.111   
assign (resid 108 and name HG2#) (resid 4 and name HA) 3.728 1.928 0.0 !   noesy2d600_260405.   
assign (resid 8 and name HG2#) (resid 104 and name HA) 3.728 1.928 0.0 !   noesy2d600_260405.   
assign (resid 104 and name HG#) (resid 8 and name HA) 4.5 2.7 0.0 !   intermol600h2o_280305.   
assign (resid 4 and name HG#) (resid 108 and name HA) 4.5 2.7 0.0 !   intermol600h2o_280305.   
assign (resid 104 and name HG#) (resid 8 and name HB) 4.358 2.558 0.0 !   intermol600h2o_280305.124
assign (resid 108 and name HB) (resid 4 and name HG#) 3.478 1.678 0.0 !   intermol600h2o_280305.153
assign (resid 106 and name HG##) (resid 4 and name HD#) 4.264 2.464 0.0 !   intermol600h2o_280305.149
assign (resid 106 and name HG##) (resid 4 and name HD#) 3.526 1.726 0.0 !   intermol600h2o_280305.150
assign (resid 104 and name HD#) (resid 6 and name HG##) 4.161 2.361 0.0 !   intermol600h2o_280305.151
assign (resid 104 and name HD#) (resid 6 and name HG##) 3.499 1.699 0.0 !   intermol600h2o_280305.152
assign (resid 108 and name HG2#) (resid 3 and name HA) 4.661 2.861 0.0 !   noesy2d600_260405.70
assign (resid 8 and name HG2#) (resid 103 and name HA) 4.661 2.861 0.0 !   noesy2d600_260405.70
assign (resid 104 and name HN) (resid 8 and name HG##) 4.862 3.062 0.0 !   intermol600h2o_280305.86
assign (resid 4 and name HN) (resid 108 and name HG##) 4.862 3.062 0.0 !   intermol600h2o_280305.86
assign (resid 103 and name HN) (resid 9 and name HN) 6.000 4.2 0.0 !   intermol600h2o_280305.79
assign (resid 3 and name HN) (resid 109 and name HN) 6.000 4.2 0.0 !   intermol600h2o_280305.79
assign (resid 3 and name HG##) (resid 109 and name HN) 5.7 3.9 0.0 !   intermol600h2o_280305.   
assign (resid 103 and name HG##) (resid 9 and name HN) 5.7 3.9 0.0 !   intermol600h2o_280305.   
assign (resid 4 and name HA) (resid 109 and name HN) 6.0 4.2 0.0 !   intermol600h2o_280305.      
assign (resid 104 and name HA) (resid 9 and name HN) 6.0 4.2 0.0 !   intermol600h2o_280305.      
assign (resid 4 and name HN) (resid 109 and name HN) 6.0 4.2 0.0 !   intermol600h2o_280305.      
assign (resid 104 and name HN) (resid 9 and name HN) 6.0 4.2 0.0 !   intermol600h2o_280305.      
assign (resid 105 and name HD##) (resid 9 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.23
assign (resid 109 and name HG##) (resid 5 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.49
assign (resid 105 and name HG1#) (resid 9 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.56
assign (resid 109 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.62
assign (resid 109 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.63
assign (resid 109 and name HG##) (resid 5 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.21
assign (resid 105 and name HG##) (resid 9 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.22
assign (resid 105 and name HG##) (resid 9 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.53
assign (resid 105 and name HN) (resid 9 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.91
assign (resid 5 and name HN) (resid 109 and name HG##) 6.000 4.2 0.0 !   intermol600h2o_280305.91
assign (resid 109 and name HG##) (resid 5 and name HB) 6.000 4.2 0.0 !   intermol600h2o_280305.38
assign (resid 9 and name HG##) (resid 105 and name HB) 6.000 4.2 0.0 !   intermol600h2o_280305.38
assign (resid 109 and name HG##) (resid 5 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.25
assign (resid 9 and name HG##) (resid 105 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.25
assign (resid 114 and name HD#) (resid 3 and name HG#) 3.831 2.031 0.0 !   intermol600h2o_280305.70
assign (resid 14 and name HD#) (resid 103 and name HG#) 3.831 2.031 0.0 !   intermol600h2o_280305.70
assign (resid 114 and name HE#) (resid 3 and name HG#) 3.596 1.796 0.0 !   intermol600h2o_280305.144
assign (resid 14 and name HE#) (resid 103 and name HG#) 3.596 1.796 0.0 !   intermol600h2o_280305.144
assign (resid 114 and name HD#) (resid 3 and name HG#) 5.7 3.9 0.0 !   intermol600h2o_280305.   
assign (resid 14 and name HD#) (resid 103 and name HG#) 5.7 3.9 0.0 !   intermol600h2o_280305.   
assign (resid 114 and name HA) (resid 5 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.72
assign (resid 14 and name HA) (resid 105 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.72
assign (resid 105 and name HG##) (resid 14 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.129
assign (resid 5 and name HG##) (resid 114 and name HA) 6.000 4.2 0.0 !   intermol600h2o_280305.129
assign (resid 114 and name HD#) (resid 5 and name HB) 5.140 3.34 0.0 !   intermol600h2o_280305.119
assign (resid 14 and name HD#) (resid 105 and name HB) 5.140 3.34 0.0 !   intermol600h2o_280305.119
assign (resid 114 and name HD#) (resid 5 and name HD##) 3.901 2.101 0.0 !   intermol600h2o_280305.2
assign (resid 105 and name HD##) (resid 14 and name HD#) 4.086 2.286 0.0 !   intermol600h2o_280305.35
assign (resid 114 and name HD#) (resid 5 and name HG##) 4.393 2.593 0.0 !   intermol600h2o_280305.0
assign (resid 105 and name HG##) (resid 14 and name HD#) 4.535 2.735 0.0 !   intermol600h2o_280305.20
assign (resid 114 and name HE#) (resid 5 and name HB) 4.408 2.608 0.0 !   intermol600h2o_280305.118
assign (resid 14 and name HE#) (resid 105 and name HB) 4.408 2.608 0.0 !   intermol600h2o_280305.118
assign (resid 114 and name HE#) (resid 5 and name HD##) 3.722 1.922 0.0 !   intermol600h2o_280305.3
assign (resid 105 and name HD##) (resid 14 and name HE#) 3.919 2.119 0.0 !   intermol600h2o_280305.34
assign (resid 114 and name HE#) (resid 5 and name HG##) 3.713 1.913 0.0 !   intermol600h2o_280305.1
assign (resid 105 and name HG##) (resid 14 and name HE#) 4.263 2.463 0.0 !   intermol600h2o_280305.19
assign (resid 115 and name HA) (resid 3 and name HB#) 6.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 15 and name HA) (resid 103 and name HB#) 6.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 115 and name HN) (resid 3 and name HB#) 5.301 3.501 0.0 !   intermol600h2o_280305.130
assign (resid 15 and name HN) (resid 103 and name HB#) 5.301 3.501 0.0 !   intermol600h2o_280305.130
assign (resid 115 and name HG#) (resid 5 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.131
assign (resid 15 and name HG#) (resid 105 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.131
assign (resid 105 and name HD##) (resid 18 and name HG#) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 5 and name HD##) (resid 118 and name HG#) 6.000 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 124 and name HD##) (resid 5 and name HD##) 3.7 1.9 0.0 !   intermol600h2o_280305.   
assign (resid 24 and name HD##) (resid 105 and name HD##) 3.7 1.9 0.0 !   intermol600h2o_280305.   
assign (resid 124 and name HG##) (resid 5 and name HD##) 4.183 2.383 0.0 !   intermol600h2o_280305.18
assign (resid 105 and name HD##) (resid 24 and name HG##) 4.349 2.549 0.0 !   intermol600h2o_280305.36
assign (resid 124 and name HG##) (resid 7 and name HG##) 4.660 2.86 0.0 !   intermol600h2o_280305.45
assign (resid 24 and name HG##) (resid 107 and name HG##) 4.660 2.86 0.0 !   intermol600h2o_280305.45
assign (resid 107 and name HG##) (resid 28 and name HA) 5.709 3.909 0.0 !   intermol600h2o_280305.105
assign (resid 7 and name HG##) (resid 128 and name HA) 5.709 3.909 0.0 !   intermol600h2o_280305.105
assign (resid 128 and name HG##) (resid 7 and name HG##) 4.110 2.31 0.0 !   intermol600h2o_280305.46
assign (resid 128 and name HG##) (resid 7 and name HG##) 4.204 2.404 0.0 !   intermol600h2o_280305.54
assign (resid 128 and name HG##) (resid 7 and name HG##) 5.209 3.409 0.0 !   intermol600h2o_280305.55
assign (resid 107 and name HG##) (resid 28 and name HG##) 5.937 4.137 0.0 !   intermol600h2o_280305.92
assign (resid 107 and name HG##) (resid 28 and name HG##) 5.764 3.964 0.0 !   noesy2d600h2o_240305.501   
assign (resid 7 and name HG##) (resid 128 and name HG##) 5.764 3.964 0.0 !   noesy2d600h2o_240305.501   
assign (resid 128 and name HN) (resid 7 and name HB) 4.878 3.078 0.0 !   intermol600h2o_280305.128
assign (resid 28 and name HN) (resid 107 and name HB) 4.878 3.078 0.0 !   intermol600h2o_280305.128
assign (resid 109 and name HG##) (resid 28 and name HB) 4.556 2.756 0.0 !   intermol600h2o_280305.50
assign (resid 9 and name HG##) (resid 128 and name HB) 4.556 2.756 0.0 !   intermol600h2o_280305.50
assign (resid 109 and name HG##) (resid 28 and name HG##) 3.083 1.283 0.0 !   intermol600h2o_280305.64
assign (resid 9 and name HG##) (resid 128 and name HG##) 3.083 1.283 0.0 !   intermol600h2o_280305.64
assign (resid 109 and name HG##) (resid 28 and name HG##) 3.701 1.901 0.0 !   intermol600h2o_280305.65
assign (resid 9 and name HG##) (resid 128 and name HG##) 3.701 1.901 0.0 !   intermol600h2o_280305.65
assign (resid 109 and name HG##) (resid 28 and name HG##) 3.574 1.774 0.0 !   intermol600h2o_280305.39
assign (resid 9 and name HG##) (resid 128 and name HG##) 3.574 1.774 0.0 !   intermol600h2o_280305.39
assign (resid 107 and name HG##) (resid 29 and name HB#) 6.000 4.2 0.0 !   intermol600h2o_280305.66
assign (resid 7 and name HG##) (resid 129 and name HB#) 6.000 4.2 0.0 !   intermol600h2o_280305.66
assign (resid 129 and name HB#) (resid 7 and name HG##) 4.081 2.281 0.0 !   intermol600h2o_280305.121
assign (resid 29 and name HB#) (resid 107 and name HG##) 4.081 2.281 0.0 !   intermol600h2o_280305.121
assign (resid 107 and name HG##) (resid 29 and name HB#) 4.886 3.086 0.0 !   intermol600h2o_280305.37
assign (resid 7 and name HG##) (resid 129 and name HB#) 4.886 3.086 0.0 !   intermol600h2o_280305.37
assign (resid 14 and name HA) (resid 129 and name HN) 5.0 3.2 0.0 !   intermol600h2o_280305.   
assign (resid 114 and name HA) (resid 29 and name HN) 5.0 3.2 0.0 !   intermol600h2o_280305.   
assign (resid 27 and name HD##) (resid 131 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 127 and name HD##) (resid 31 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 27 and name HD##) (resid 131 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 127 and name HD##) (resid 31 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 28 and name HG##) (resid 131 and name HG##) 5.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 128 and name HG##) (resid 31 and name HG##) 5.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 31 and name HG##) (resid 131 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 131 and name HG##) (resid 31 and name HG##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 7 and name HG##) 4.132 2.332 0.0 !   intermol600h2o_280305.16
assign (resid 32 and name HE#) (resid 107 and name HG##) 4.132 2.332 0.0 !   intermol600h2o_280305.16   
assign (resid 107 and name HG##) (resid 32 and name HE#) 5.146 3.346 0.0 !   intermol600h2o_280305.15
assign (resid 7 and name HG##) (resid 132 and name HE#) 5.146 3.346 0.0 !   intermol600h2o_280305.15
assign (resid 107 and name HG##) (resid 32 and name HE#) 3.965 2.165 0.0 !   intermol600h2o_280305.24
assign (resid 7 and name HG##) (resid 132 and name HE#) 3.965 2.165 0.0 !   intermol600h2o_280305.24
assign (resid 132 and name HE#) (resid 9 and name HG##) 3.618 1.818 0.0 !   intermol600h2o_280305.112
assign (resid 32 and name HE#) (resid 109 and name HG##) 3.618 1.818 0.0 !   intermol600h2o_280305.112
assign (resid 109 and name HG##) (resid 32 and name HE#) 4.399 2.599 0.0 !   intermol600h2o_280305.117
assign (resid 9 and name HG##) (resid 132 and name HE#) 4.399 2.599 0.0 !   intermol600h2o_280305.117
assign (resid 114 and name HD#) (resid 32 and name HE#) 3.430 1.63 0.0 !   intermol600h2o_280305.11
assign (resid 14 and name HD#) (resid 132 and name HE#) 3.430 1.63 0.0 !   intermol600h2o_280305.11
assign (resid 114 and name HE#) (resid 32 and name HE#) 4.081 2.281 0.0 !   intermol600h2o_280305.12
assign (resid 14 and name HE#) (resid 132 and name HE#) 4.081 2.281 0.0 !   intermol600h2o_280305.12
assign (resid 14 and name HA) (resid 132 and name HE#) 3.0 1.2 0.0 !   intermol600h2o_280305.   
assign (resid 114 and name HA) (resid 32 and name HE#) 3.0 1.2 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 17 and name HA) 5.0 3.2 0.0 !   intermol600h2o_280305.   
assign (resid 32 and name HE#) (resid 117 and name HA) 5.0 3.2 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 24 and name HA) 4.8 3.0 0.0 !   intermol600h2o_280305.   
assign (resid 32 and name HE#) (resid 124 and name HA) 4.8 3.0 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 24 and name HB) 6.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 32 and name HE#) (resid 124 and name HB) 6.0 4.2 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 24 and name HD##) 3.012 1.212 0.0 !   intermol600h2o_280305.114
assign (resid 32 and name HE#) (resid 124 and name HD##) 3.012 1.212 0.0 !   intermol600h2o_280305.114
assign (resid 132 and name HE#) (resid 24 and name HG1#) 3.575 1.775 0.0 !   intermol600h2o_280305.68
assign (resid 32 and name HE#) (resid 124 and name HG1#) 3.575 1.775 0.0 !   intermol600h2o_280305.68
assign (resid 132 and name HE#) (resid 24 and name HG##) 2.920 1.12 0.0 !   intermol600h2o_280305.113
assign (resid 32 and name HE#) (resid 124 and name HG##) 2.920 1.12 0.0 !   intermol600h2o_280305.113
assign (resid 132 and name HG#) (resid 28 and name HG##) 4.5 2.7 0.0 !   intermol600h2o_280305.   
assign (resid 32 and name HG#) (resid 128 and name HG##) 4.5 2.7 0.0 !   intermol600h2o_280305.   
assign (resid 132 and name HE#) (resid 28 and name HG##) 3.671 1.871 0.0 !   intermol600h2o_280305.17
assign (resid 32 and name HE#) (resid 128 and name HG##) 3.671 1.871 0.0 !   intermol600h2o_280305.17
assign (resid 28 and name HG##) (resid 132 and name HE#) 4.258 2.458 0.0 !   noesy2d600h2o_240305.268   
assign (resid 128 and name HG##) (resid 32 and name HE#) 4.258 2.458 0.0 !   noesy2d600h2o_240305.268   
assign (resid 28 and name HN) (resid 132 and name HE#) 4.5 2.7 0.0 !   noesy2d600h2o_240305.268   
assign (resid 128 and name HN) (resid 32 and name HE#) 4.5 2.7 0.0 !   noesy2d600h2o_240305.268   
assign (resid 136 and name HA) (resid 16 and name HD##) 3.539 1.739 0.0 !   intermol600h2o_280305.75
assign (resid 36 and name HA) (resid 116 and name HD##) 3.539 1.739 0.0 !   intermol600h2o_280305.75
assign (resid 136 and name HA) (resid 16 and name HD##) 3.622 1.822 0.0 !   intermol600h2o_280305.76
assign (resid 36 and name HA) (resid 116 and name HD##) 3.622 1.822 0.0 !   intermol600h2o_280305.76
assign (resid 136 and name HB#) (resid 16 and name HD##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 36 and name HB#) (resid 116 and name HD##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 136 and name HB#) (resid 16 and name HD##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 36 and name HB#) (resid 116 and name HD##) 3.5 1.7 0.0 !   intermol600h2o_280305.   
assign (resid 116 and name HD##) (resid 36 and name HA) 3.498 1.698 0.0 !   intermol600h2o_280305.147
assign (resid 16 and name HD##) (resid 136 and name HA) 3.498 1.698 0.0 !   intermol600h2o_280305.147
assign (resid 116 and name HD##) (resid 36 and name HA) 3.903 2.103 0.0 !   intermol600h2o_280305.148
assign (resid 16 and name HD##) (resid 136 and name HA) 3.903 2.103 0.0 !   intermol600h2o_280305.148
assign (resid 136 and name HA) (resid 17 and name HD##) 3.486 1.686 0.0 !   intermol600h2o_280305.145
assign (resid 36 and name HA) (resid 117 and name HD##) 3.486 1.686 0.0 !   intermol600h2o_280305.145
assign (resid 117 and name HD##) (resid 36 and name HA) 4.436 2.636 0.0 !   intermol600h2o_280305.146
assign (resid 17 and name HD##) (resid 136 and name HA) 4.436 2.636 0.0 !   intermol600h2o_280305.146
assign (resid 117 and name HD##) (resid 36 and name HB#) 3.979 2.179 0.0 !   intermol600h2o_280305.67
assign (resid 17 and name HD##) (resid 136 and name HB#) 3.979 2.179 0.0 !   intermol600h2o_280305.67
assign (resid 136 and name HN) (resid 17 and name HD##) 4.418 2.618 0.0 !   intermol600h2o_280305.132
assign (resid 36 and name HN) (resid 117 and name HD##) 4.418 2.618 0.0 !   intermol600h2o_280305.132
assign (resid 136 and name HN) (resid 17 and name HD##) 4.901 3.101 0.0 !   intermol600h2o_280305.143
assign (resid 36 and name HN) (resid 117 and name HD##) 4.901 3.101 0.0 !   intermol600h2o_280305.143
assign (resid 137 and name HD#) (resid 16 and name HD##) 5.0 3.2 0.0 !           noesy2d600h2o_240305.321
assign (resid 37 and name HD#) (resid 116 and name HD##) 5.0 3.2 0.0 !           noesy2d600h2o_240305.321
assign (resid 137 and name HD#) (resid 16 and name HD##) 5.0 3.2 0.0 !           noesy2d600h2o_240305.322 
assign (resid 37 and name HD#) (resid 116 and name HD##) 5.0 3.2 0.0 !           noesy2d600h2o_240305.321
assign (resid 139 and name HD##) (resid 17 and name HA) 4.296 2.496 0.0 !   intermol600h2o_280305.142
assign (resid 39 and name HD##) (resid 117 and name HA) 4.296 2.496 0.0 !   intermol600h2o_280305.142
assign (resid 118 and name HN) (resid 39 and name HD##) 5.869 4.069 0.0 !   intermol600h2o_280305.125
assign (resid 18 and name HN) (resid 139 and name HD##) 5.869 4.069 0.0 !   intermol600h2o_280305.125
assign (resid 118 and name HN) (resid 39 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.126
assign (resid 18 and name HN) (resid 139 and name HD##) 6.000 4.2 0.0 !   intermol600h2o_280305.126
assign (resid 120 and name HD#) (resid 39 and name HB#) 3.534 1.734 0.0 !   intermol600h2o_280305.40
assign (resid 20 and name HD#) (resid 139 and name HB#) 3.534 1.734 0.0 !   intermol600h2o_280305.40
assign (resid 120 and name HE#) (resid 39 and name HB#) 4.541 2.741 0.0 !   intermol600h2o_280305.120
assign (resid 20 and name HE#) (resid 139 and name HB#) 4.541 2.741 0.0 !   intermol600h2o_280305.120
assign (resid 139 and name HD2#) (resid 20 and name HD#) 3.951 2.151 0.0 !   intermol600h2o_280305.4
assign (resid 39 and name HD2#) (resid 120 and name HD#) 3.951 2.151 0.0 !   intermol600h2o_280305.4
assign (resid 120 and name HD#) (resid 39 and name HD2#) 4.127 2.327 0.0 !   intermol600h2o_280305.28
assign (resid 20 and name HD#) (resid 139 and name HD2#) 4.127 2.327 0.0 !   intermol600h2o_280305.28
assign (resid 120 and name HD#) (resid 39 and name HD2#) 3.739 1.939 0.0 !   intermol600h2o_280305.29
assign (resid 20 and name HD#) (resid 139 and name HD2#) 3.739 1.939 0.0 !   intermol600h2o_280305.29
assign (resid 139 and name HD2#) (resid 20 and name HE#) 5.541 3.741 0.0 !   intermol600h2o_280305.5
assign (resid 39 and name HD2#) (resid 120 and name HE#) 5.541 3.741 0.0 !   intermol600h2o_280305.5
assign (resid 120 and name HE#) (resid 39 and name HD2#) 4.906 3.106 0.0 !   intermol600h2o_280305.26
assign (resid 20 and name HE#) (resid 139 and name HD2#) 4.906 3.106 0.0 !   intermol600h2o_280305.26
assign (resid 120 and name HE#) (resid 39 and name HD2#) 4.679 2.879 0.0 !   intermol600h2o_280305.27
assign (resid 20 and name HE#) (resid 139 and name HD2#) 4.679 2.879 0.0 !   intermol600h2o_280305.27
assign (resid 120 and name HD#) (resid 39 and name HG) 3.611 1.811 0.0 !   intermol600h2o_280305.6
assign (resid 20 and name HD#) (resid 139 and name HG) 3.611 1.811 0.0 !   intermol600h2o_280305.6
assign (resid 120 and name HE#) (resid 39 and name HG) 3.687 1.887 0.0 !   intermol600h2o_280305.98
assign (resid 20 and name HE#) (resid 139 and name HG) 3.687 1.887 0.0 !   intermol600h2o_280305.98

! K 2   Phi Psi
assign (resid  1 and name C ) (resid  2 and name N)
       (resid  2 and name CA) (resid  2 and name C) 1.0  -103.00    50.00  2
assign (resid  2 and name N) (resid  2 and name CA)
       (resid  2 and name C) (resid  3 and name  N) 1.0   136.00    28.00  2
! Q 3   Phi Psi
assign (resid  2 and name C ) (resid  3 and name N)
       (resid  3 and name CA) (resid  3 and name C) 1.0  -123.00    10.00  2
assign (resid  3 and name N) (resid  3 and name CA)
       (resid  3 and name C) (resid  4 and name  N) 1.0   135.00    15.00  2
! R 4   Phi Psi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0   -100.00    20.00  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   110.00    10.00  2
! I 5   Phi Psi
assign (resid  4 and name C ) (resid  5 and name N)
       (resid  5 and name CA) (resid  5 and name C) 1.0  -105.00    10.00  2
assign (resid  5 and name N) (resid  5 and name CA)
       (resid  5 and name C) (resid  6 and name  N) 1.0   120.00    10.00  2
! T 6   Phi Psi
assign (resid  5 and name C ) (resid  6 and name N)
       (resid  6 and name CA) (resid  6 and name C) 1.0  -101.00    30.00  2
assign (resid  6 and name N) (resid  6 and name CA)
       (resid  6 and name C) (resid  7 and name  N) 1.0   136.00    26.00  2
! V 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0  -84.00    15.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   97.00    15.00  2
! T 8   Phi Psi
assign (resid  7 and name C ) (resid  8 and name N)
       (resid  8 and name CA) (resid  8 and name C) 1.0  -54.00    16.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   83.00    15.00  2
! D 12  Phi Psi
assign (resid  11 and name C ) (resid  12 and name N)
       (resid  12 and name CA) (resid  12 and name C) 1.0   -96.00    76.00  2
assign (resid  12 and name N) (resid  12 and name CA)
       (resid  12 and name C) (resid  13 and name  N) 1.0   140.00    30.00  2
! S 13  Phi Psi
assign (resid  12 and name C ) (resid  13 and name N)
       (resid  13 and name CA) (resid  13 and name C) 1.0   -62.00    15.00  2
assign (resid  13 and name N) (resid  13 and name CA)
       (resid  13 and name C) (resid  14 and name  N) 1.0   -43.00    22.00  2
! Y 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0   -62.00    20.00  2
assign (resid  14 and name N) (resid  14 and name CA)
       (resid  14 and name C) (resid  15 and name  N) 1.0   -44.00    18.00  2
! Q 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0   -66.00    15.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -39.00    30.00  2
! L 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -65.00    18.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -41.00    15.00  2
! L 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -62.00    15.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -42.00    18.00  2
! K 18  Phi Psi
assign (resid  17 and name C ) (resid  18 and name N)
       (resid  18 and name CA) (resid  18 and name C) 1.0   -64.00    15.00  2
assign (resid  18 and name N) (resid  18 and name CA)
       (resid  18 and name C) (resid  19 and name  N) 1.0   -42.00    16.00  2
! A 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0   -71.00    16.00  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   -36.00    24.00  2
! Y 20  Phi Psi
assign (resid  19 and name C ) (resid  20 and name N)
       (resid  20 and name CA) (resid  20 and name C) 1.0   -139.00    50.00  2
assign (resid  20 and name N) (resid  20 and name CA)
       (resid  20 and name C) (resid  21 and name  N) 1.0   -15.00    50.00  2
! D 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0   179.00    15.00  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  21 and name  N) 1.0   11.00    60.00  2
! V 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0   -87.00    46.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   105.00    35.00  2
! N 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0   -124.00    25.00  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   65.00    15.00  2
! S 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -50.00    10.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   -36.00    26.00  2
! G 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0   -73.00    22.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   -34.00    26.00  2
! L 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0   -65.00    15.00  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0   -43.00    18.00  2
! V 28  Phi Psi
assign (resid  27 and name C ) (resid  28 and name N)
       (resid  28 and name CA) (resid  28 and name C) 1.0   -50.00    10.00  2
assign (resid  28 and name N) (resid  28 and name CA)
       (resid  28 and name C) (resid  29 and name  N) 1.0   -40.00    16.00  2
! S 29  Phi Psi
assign (resid  28 and name C ) (resid  29 and name N)
       (resid  29 and name CA) (resid  29 and name C) 1.0   -66.00    15.00  2
assign (resid  29 and name N) (resid  29 and name CA)
       (resid  29 and name C) (resid  30 and name  N) 1.0   -38.00    18.00  2
! T 30  Phi Psi
assign (resid  29 and name C ) (resid  30 and name N)
       (resid  30 and name CA) (resid  30 and name C) 1.0   -68.00    15.00  2
assign (resid  30 and name N) (resid  30 and name CA)
       (resid  30 and name C) (resid  31 and name  N) 1.0   -40.00    20.00  2
! T 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0   -67.00    15.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0   -40.00    16.00  2
! M 32  Phi Psi
assign (resid  31 and name C ) (resid  32 and name N)
       (resid  32 and name CA) (resid  32 and name C) 1.0   -64.00    15.00  2
assign (resid  32 and name N) (resid  32 and name CA)
       (resid  32 and name C) (resid  33 and name  N) 1.0   -41.00    16.00  2
! Q 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0   -66.00    16.00  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0   -41.00    18.00  2
! N 34  Phi Psi
assign (resid  33 and name C ) (resid  34 and name N)
       (resid  34 and name CA) (resid  34 and name C) 1.0   -64.00    18.00  2
assign (resid  34 and name N) (resid  34 and name CA)
       (resid  34 and name C) (resid  35 and name  N) 1.0   -35.00    22.00  2
! E 35  Phi Psi
assign (resid  34 and name C ) (resid  35 and name N)
       (resid  35 and name CA) (resid  35 and name C) 1.0   -69.00    15.00  2
assign (resid  35 and name N) (resid  35 and name CA)
       (resid  35 and name C) (resid  36 and name  N) 1.0   -37.00    28.00  2
! A 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -69.00    18.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   -37.00    16.00  2
! R 37  Phi Psi
assign (resid  36 and name C ) (resid  37 and name N)
       (resid  37 and name CA) (resid  37 and name C) 1.0   -67.00    15.00  2
assign (resid  37 and name N) (resid  37 and name CA)
       (resid  37 and name C) (resid  38 and name  N) 1.0   -41.00    15.00  2
! R 38  Phi Psi
assign (resid  37 and name C ) (resid  38 and name N)
       (resid  38 and name CA) (resid  38 and name C) 1.0   -68.00    15.00  2
assign (resid  38 and name N) (resid  38 and name CA)
       (resid  38 and name C) (resid  39 and name  N) 1.0   -38.00    20.00  2
! G 51  Phi Psi
assign (resid  50 and name C ) (resid  51 and name N)
       (resid  51 and name CA) (resid  51 and name C) 1.0    90.00    20.00  2
assign (resid  51 and name N) (resid  51 and name CA)
       (resid  51 and name C) (resid  52 and name  N) 1.0    -1.00    26.00  2
! N 62  Phi Psi
assign (resid  61 and name C ) (resid  62 and name N)
       (resid  62 and name CA) (resid  62 and name C) 1.0   -98.00    26.00  2
assign (resid  62 and name N) (resid  62 and name CA)
       (resid  62 and name C) (resid  63 and name  N) 1.0     1.00    30.00  2
! D 71  Phi Psi
assign (resid  70 and name C ) (resid  71 and name N)
       (resid  71 and name CA) (resid  71 and name C) 1.0   -92.66    61.56  2
assign (resid  71 and name N) (resid  71 and name CA)
       (resid  71 and name C) (resid  72 and name  N) 1.0   129.50    45.94  2
! K 102   Phi Psi
assign (resid  101 and name C ) (resid  102 and name N)
       (resid  102 and name CA) (resid  102 and name C) 1.0  -103.00    50.00  2
assign (resid  102 and name N) (resid  102 and name CA)
       (resid  102 and name C) (resid  103 and name  N) 1.0   136.00    28.00  2
! Q 103   Phi Psi
assign (resid  102 and name C ) (resid  103 and name N)
       (resid  103 and name CA) (resid  103 and name C) 1.0  -123.00    10.00  2
assign (resid  103 and name N) (resid  103 and name CA)
       (resid  103 and name C) (resid  104 and name  N) 1.0   135.00    15.00  2
! R 104   Phi Psi
assign (resid  103 and name C ) (resid  104 and name N)
       (resid  104 and name CA) (resid  104 and name C) 1.0   -100.00    20.00  2
assign (resid  104 and name N) (resid  104 and name CA)
       (resid  104 and name C) (resid  105 and name  N) 1.0   110.00    10.00  2
! I 105   Phi Psi
assign (resid  104 and name C ) (resid  105 and name N)
       (resid  105 and name CA) (resid  105 and name C) 1.0  -105.00    10.00  2
assign (resid  105 and name N) (resid  105 and name CA)
       (resid  105 and name C) (resid  106 and name  N) 1.0   120.00    10.00  2
! T 106   Phi Psi
assign (resid  105 and name C ) (resid  106 and name N)
       (resid  106 and name CA) (resid  106 and name C) 1.0  -101.00    30.00  2
assign (resid  106 and name N) (resid  106 and name CA)
       (resid  106 and name C) (resid  107 and name  N) 1.0   136.00    26.00  2
! V 107   Phi Psi
assign (resid  106 and name C ) (resid  107 and name N)
       (resid  107 and name CA) (resid  107 and name C) 1.0  -84.00    15.00  2
assign (resid  107 and name N) (resid  107 and name CA)
       (resid  107 and name C) (resid  108 and name  N) 1.0   97.00    15.00  2
! T 108   Phi Psi
assign (resid  107 and name C ) (resid  108 and name N)
       (resid  108 and name CA) (resid  108 and name C) 1.0  -54.00    16.00  2
assign (resid  108 and name N) (resid  108 and name CA)
       (resid  108 and name C) (resid  109 and name  N) 1.0   83.00    15.00  2
! D 112  Phi Psi
assign (resid  111 and name C ) (resid  112 and name N)
       (resid  112 and name CA) (resid  112 and name C) 1.0   -96.00    76.00  2
assign (resid  112 and name N) (resid  112 and name CA)
       (resid  112 and name C) (resid  113 and name  N) 1.0   140.00    30.00  2
! S 113  Phi Psi
assign (resid  112 and name C ) (resid  113 and name N)
       (resid  113 and name CA) (resid  113 and name C) 1.0   -62.00    15.00  2
assign (resid  113 and name N) (resid  113 and name CA)
       (resid  113 and name C) (resid  114 and name  N) 1.0   -43.00    22.00  2
! Y 114  Phi Psi
assign (resid  113 and name C ) (resid  114 and name N)
       (resid  114 and name CA) (resid  114 and name C) 1.0   -62.00    20.00  2
assign (resid  114 and name N) (resid  114 and name CA)
       (resid  114 and name C) (resid  115 and name  N) 1.0   -44.00    18.00  2
! Q 115  Phi Psi
assign (resid  114 and name C ) (resid  115 and name N)
       (resid  115 and name CA) (resid  115 and name C) 1.0   -66.00    15.00  2
assign (resid  115 and name N) (resid  115 and name CA)
       (resid  115 and name C) (resid  116 and name  N) 1.0   -39.00    30.00  2
! L 116  Phi Psi
assign (resid  115 and name C ) (resid  116 and name N)
       (resid  116 and name CA) (resid  116 and name C) 1.0   -65.00    18.00  2
assign (resid  116 and name N) (resid  116 and name CA)
       (resid  116 and name C) (resid  117 and name  N) 1.0   -41.00    15.00  2
! L 117  Phi Psi
assign (resid  116 and name C ) (resid  117 and name N)
       (resid  117 and name CA) (resid  117 and name C) 1.0   -62.00    15.00  2
assign (resid  117 and name N) (resid  117 and name CA)
       (resid  117 and name C) (resid  118 and name  N) 1.0   -42.00    18.00  2
! K 118  Phi Psi
assign (resid  117 and name C ) (resid  118 and name N)
       (resid  118 and name CA) (resid  118 and name C) 1.0   -64.00    15.00  2
assign (resid  118 and name N) (resid  118 and name CA)
       (resid  118 and name C) (resid  119 and name  N) 1.0   -42.00    16.00  2
! A 119  Phi Psi
assign (resid  118 and name C ) (resid  119 and name N)
       (resid  119 and name CA) (resid  119 and name C) 1.0   -71.00    16.00  2
assign (resid  119 and name N) (resid  119 and name CA)
       (resid  119 and name C) (resid  120 and name  N) 1.0   -36.00    24.00  2
! Y 120  Phi Psi
assign (resid  119 and name C ) (resid  120 and name N)
       (resid  120 and name CA) (resid  120 and name C) 1.0   -139.00    50.00  2
assign (resid  120 and name N) (resid  120 and name CA)
       (resid  120 and name C) (resid  121 and name  N) 1.0   -15.00    50.00  2
! D 121  Phi Psi
assign (resid  120 and name C ) (resid  121 and name N)
       (resid  121 and name CA) (resid  121 and name C) 1.0   179.00    15.00  2
assign (resid  121 and name N) (resid  121 and name CA)
       (resid  121 and name C) (resid  121 and name  N) 1.0   11.00    60.00  2
! V 122  Phi Psi
assign (resid  121 and name C ) (resid  122 and name N)
       (resid  122 and name CA) (resid  122 and name C) 1.0   -87.00    46.00  2
assign (resid  122 and name N) (resid  122 and name CA)
       (resid  122 and name C) (resid  123 and name  N) 1.0   105.00    35.00  2
! N 123  Phi Psi
assign (resid  122 and name C ) (resid  123 and name N)
       (resid  123 and name CA) (resid  123 and name C) 1.0   -124.00    25.00  2
assign (resid  123 and name N) (resid  123 and name CA)
       (resid  123 and name C) (resid  124 and name  N) 1.0   65.00    15.00  2
! S 125  Phi Psi
assign (resid  124 and name C ) (resid  125 and name N)
       (resid  125 and name CA) (resid  125 and name C) 1.0   -50.00    10.00  2
assign (resid  125 and name N) (resid  125 and name CA)
       (resid  125 and name C) (resid  126 and name  N) 1.0   -36.00    26.00  2
! G 126  Phi Psi
assign (resid  125 and name C ) (resid  126 and name N)
       (resid  126 and name CA) (resid  126 and name C) 1.0   -73.00    22.00  2
assign (resid  126 and name N) (resid  126 and name CA)
       (resid  126 and name C) (resid  127 and name  N) 1.0   -34.00    26.00  2
! L 127  Phi Psi
assign (resid  126 and name C ) (resid  127 and name N)
       (resid  127 and name CA) (resid  127 and name C) 1.0   -65.00    15.00  2
assign (resid  127 and name N) (resid  127 and name CA)
       (resid  127 and name C) (resid  128 and name  N) 1.0   -43.00    18.00  2
! V 128  Phi Psi
assign (resid  127 and name C ) (resid  128 and name N)
       (resid  128 and name CA) (resid  128 and name C) 1.0   -50.00    10.00  2
assign (resid  128 and name N) (resid  128 and name CA)
       (resid  128 and name C) (resid  129 and name  N) 1.0   -40.00    16.00  2
! S 129  Phi Psi
assign (resid  128 and name C ) (resid  129 and name N)
       (resid  129 and name CA) (resid  129 and name C) 1.0   -66.00    15.00  2
assign (resid  129 and name N) (resid  129 and name CA)
       (resid  129 and name C) (resid  130 and name  N) 1.0   -38.00    18.00  2
! T 130  Phi Psi
assign (resid  129 and name C ) (resid  130 and name N)
       (resid  130 and name CA) (resid  130 and name C) 1.0   -68.00    15.00  2
assign (resid  130 and name N) (resid  130 and name CA)
       (resid  130 and name C) (resid  131 and name  N) 1.0   -40.00    20.00  2
! T 131  Phi Psi
assign (resid  130 and name C ) (resid  131 and name N)
       (resid  131 and name CA) (resid  131 and name C) 1.0   -67.00    15.00  2
assign (resid  131 and name N) (resid  131 and name CA)
       (resid  131 and name C) (resid  132 and name  N) 1.0   -40.00    16.00  2
! M 132  Phi Psi
assign (resid  131 and name C ) (resid  132 and name N)
       (resid  132 and name CA) (resid  132 and name C) 1.0   -64.00    15.00  2
assign (resid  132 and name N) (resid  132 and name CA)
       (resid  132 and name C) (resid  133 and name  N) 1.0   -41.00    16.00  2
! Q 133  Phi Psi
assign (resid  132 and name C ) (resid  133 and name N)
       (resid  133 and name CA) (resid  133 and name C) 1.0   -66.00    16.00  2
assign (resid  133 and name N) (resid  133 and name CA)
       (resid  133 and name C) (resid  134 and name  N) 1.0   -41.00    18.00  2
! N 134  Phi Psi
assign (resid  133 and name C ) (resid  134 and name N)
       (resid  134 and name CA) (resid  134 and name C) 1.0   -64.00    18.00  2
assign (resid  134 and name N) (resid  134 and name CA)
       (resid  134 and name C) (resid  135 and name  N) 1.0   -35.00    22.00  2
! E 135  Phi Psi
assign (resid  134 and name C ) (resid  135 and name N)
       (resid  135 and name CA) (resid  135 and name C) 1.0   -69.00    15.00  2
assign (resid  135 and name N) (resid  135 and name CA)
       (resid  135 and name C) (resid  136 and name  N) 1.0   -37.00    28.00  2
! A 136  Phi Psi
assign (resid  135 and name C ) (resid  136 and name N)
       (resid  136 and name CA) (resid  136 and name C) 1.0   -69.00    18.00  2
assign (resid  136 and name N) (resid  136 and name CA)
       (resid  136 and name C) (resid  137 and name  N) 1.0   -37.00    16.00  2
! R 137  Phi Psi
assign (resid  136 and name C ) (resid  137 and name N)
       (resid  137 and name CA) (resid  137 and name C) 1.0   -67.00    15.00  2
assign (resid  137 and name N) (resid  137 and name CA)
       (resid  137 and name C) (resid  138 and name  N) 1.0   -41.00    15.00  2
! R 138  Phi Psi
assign (resid  137 and name C ) (resid  138 and name N)
       (resid  138 and name CA) (resid  138 and name C) 1.0   -68.00    15.00  2
assign (resid  138 and name N) (resid  138 and name CA)
       (resid  138 and name C) (resid  139 and name  N) 1.0   -38.00    20.00  2
! G 151  Phi Psi
assign (resid  150 and name C ) (resid  151 and name N)
       (resid  151 and name CA) (resid  151 and name C) 1.0    90.00    20.00  2
assign (resid  151 and name N) (resid  151 and name CA)
       (resid  151 and name C) (resid  152 and name  N) 1.0    -1.00    26.00  2
! N 162  Phi Psi
assign (resid  161 and name C ) (resid  162 and name N)
       (resid  162 and name CA) (resid  162 and name C) 1.0   -98.00    26.00  2
assign (resid  162 and name N) (resid  162 and name CA)
       (resid  162 and name C) (resid  163 and name  N) 1.0     1.00    30.00  2
! D 171  Phi Psi
assign (resid  170 and name C ) (resid  171 and name N)
       (resid  171 and name CA) (resid  171 and name C) 1.0   -92.66    61.56  2
assign (resid  171 and name N) (resid  171 and name CA)
       (resid  171 and name C) (resid  172 and name  N) 1.0   129.50    45.94  2
       
!Updated on 09/08/01_deviations of H-bond length were corrected on 260305
!Volume and Distance parameters ==>       
! S- 0.80 : 4.00/1.80 M- 0.50 : 5 0/1. 80 W- 0.0 1:06 .00/1 0.8
!XPK files used: none, hydorgen bond data (calculated)       

!START Restraints from: Sheet A
assign (resid 3 and name O   ) (resid 109 and name hn ) 1.8 0.2 1
assign (resid 3 and name hn   ) (resid 109 and name O ) 1.8 0.2 1
assign (resid 5 and name O   ) (resid 107 and name hn ) 1.8 0.2 1
assign (resid 5 and name hn   ) (resid 107 and name O ) 1.8 0.2 1
assign (resid 7 and name O   ) (resid 105 and name hn ) 1.8 0.2 1
assign (resid 7 and name hn   ) (resid 105 and name O ) 1.8 0.2 1
assign (resid 9 and name O   ) (resid 103 and name hn ) 1.8 0.2 1
assign (resid 9 and name hn   ) (resid 103 and name O ) 1.8 0.2 1

!END Restraints from: hydrogen bond data (calculated)

!START Restraints from: Helix A
assign (resid 14 and name O   ) (resid 18 and name hn ) 1.8 0.2 1
assign (resid 15 and name O   ) (resid 19 and name hn ) 1.8 0.2 1


!END Restraints from: hydrogen bond data (calculated)

!START Restraints from: Helix B
assign (resid 25 and name O   ) (resid 29 and name hn ) 1.8 0.2 1
assign (resid 26 and name O   ) (resid 30 and name hn ) 1.8 0.2 1
assign (resid 27 and name O   ) (resid 31 and name hn ) 1.8 0.2 1
assign (resid 28 and name O   ) (resid 32 and name hn ) 1.8 0.2 1
assign (resid 29 and name O   ) (resid 33 and name hn ) 1.8 0.2 1
assign (resid 30 and name O   ) (resid 34 and name hn ) 1.8 0.2 1
assign (resid 31 and name O   ) (resid 35 and name hn ) 1.8 0.2 1
assign (resid 32 and name O   ) (resid 36 and name hn ) 1.8 0.2 1
assign (resid 33 and name O   ) (resid 37 and name hn ) 1.8 0.2 1
assign (resid 34 and name O   ) (resid 38 and name hn ) 1.8 0.2 1
assign (resid 35 and name O   ) (resid 39 and name hn ) 1.8 0.2 1


!END Restraints from: hydrogen bond data (calculated)

!START Restraints from: Helix A
assign (resid 114 and name O   ) (resid 118 and name hn ) 1.8 0.2 1
assign (resid 115 and name O   ) (resid 119 and name hn ) 1.8 0.2 1

!END Restraints from: hydrogen bond data (calculated)

!START Restraints from: Helix B
assign (resid 125 and name O   ) (resid 129 and name hn ) 1.8 0.2 1
assign (resid 126 and name O   ) (resid 130 and name hn ) 1.8 0.2 1
assign (resid 127 and name O   ) (resid 131 and name hn ) 1.8 0.2 1
assign (resid 128 and name O   ) (resid 132 and name hn ) 1.8 0.2 1
assign (resid 129 and name O   ) (resid 133 and name hn ) 1.8 0.2 1
assign (resid 130 and name O   ) (resid 134 and name hn ) 1.8 0.2 1
assign (resid 131 and name O   ) (resid 135 and name hn ) 1.8 0.2 1
assign (resid 132 and name O   ) (resid 136 and name hn ) 1.8 0.2 1
assign (resid 133 and name O   ) (resid 137 and name hn ) 1.8 0.2 1
assign (resid 134 and name O   ) (resid 138 and name hn ) 1.8 0.2 1
assign (resid 135 and name O   ) (resid 139 and name hn ) 1.8 0.2 1


!END Restraints from: hydrogen bond data (calculated)
  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1  30.253 -18.561  -0.838
    2   2H    MET   1          HT2       MET   1  29.582 -17.811  -2.228
    3   3H    MET   1          HT3       MET   1  30.625 -19.163  -2.399
    4    HA   MET   1           HA       MET   1  28.526 -19.990  -2.726
    5   1HB   MET   1          HB2       MET   1  30.157 -20.820  -0.686
    6   2HB   MET   1          HB1       MET   1  28.615 -20.644   0.141
    7   1HG   MET   1          HG2       MET   1  28.331 -22.015  -2.391
    8   2HG   MET   1          HG1       MET   1  29.477 -22.824  -1.325
    9   1HE   MET   1          HE1       MET   1  29.129 -24.182   0.236
   10   2HE   MET   1          HE2       MET   1  27.596 -24.917   0.707
   11   3HE   MET   1          HE3       MET   1  28.240 -23.555   1.624
   12    H    LYS   2           HN       LYS   2  28.635 -17.500  -0.337
   13    HA   LYS   2           HA       LYS   2  25.701 -17.353  -0.399
   14   1HB   LYS   2          HB2       LYS   2  25.845 -16.492   1.988
   15   2HB   LYS   2          HB1       LYS   2  26.113 -18.214   1.760
   16   1HG   LYS   2          HG2       LYS   2  28.646 -17.112   1.568
   17   2HG   LYS   2          HG1       LYS   2  27.867 -16.191   2.856
   18   1HD   LYS   2          HD2       LYS   2  27.800 -19.196   2.759
   19   2HD   LYS   2          HD1       LYS   2  29.109 -18.305   3.540
   20   1HE   LYS   2          HE2       LYS   2  27.698 -18.660   5.318
   21   2HE   LYS   2          HE1       LYS   2  27.148 -17.080   4.760
   22   1HZ   LYS   2          HZ1       LYS   2  25.392 -18.831   5.240
   23   2HZ   LYS   2          HZ2       LYS   2  25.889 -19.579   3.808
   24   3HZ   LYS   2          HZ3       LYS   2  25.269 -18.006   3.768
   25    H    GLN   3           HN       GLN   3  24.818 -15.211  -0.100
   26    HA   GLN   3           HA       GLN   3  26.769 -13.058  -0.588
   27   1HB   GLN   3          HB2       GLN   3  25.632 -13.477  -2.676
   28   2HB   GLN   3          HB1       GLN   3  24.064 -13.519  -1.878
   29   1HG   GLN   3          HG2       GLN   3  23.814 -11.341  -2.100
   30   2HG   GLN   3          HG1       GLN   3  25.384 -11.023  -1.366
   31   1HE2  GLN   3          HE21      GLN   3  25.420  -9.244  -2.914
   32   2HE2  GLN   3          HE22      GLN   3  25.974  -9.546  -4.522
   33    H    ARG   4           HN       ARG   4  26.722 -11.632   1.059
   34    HA   ARG   4           HA       ARG   4  24.418 -11.627   2.818
   35   1HB   ARG   4          HB2       ARG   4  26.917 -11.509   3.539
   36   2HB   ARG   4          HB1       ARG   4  26.750  -9.792   3.185
   37   1HG   ARG   4          HG2       ARG   4  25.072  -9.509   4.836
   38   2HG   ARG   4          HG1       ARG   4  24.885 -11.261   5.031
   39   1HD   ARG   4          HD2       ARG   4  27.561 -10.861   5.540
   40   2HD   ARG   4          HD1       ARG   4  26.806  -9.434   6.249
   41    HE   ARG   4           HE       ARG   4  25.275 -11.442   7.187
   42   1HH1  ARG   4          HH11      ARG   4  28.727 -10.928   7.148
   43   2HH1  ARG   4          HH12      ARG   4  29.001 -11.821   8.606
   44   1HH2  ARG   4          HH21      ARG   4  25.635 -12.616   9.104
   45   2HH2  ARG   4          HH22      ARG   4  27.246 -12.779   9.716
   46    H    ILE   5           HN       ILE   5  22.749 -10.562   1.975
   47    HA   ILE   5           HA       ILE   5  23.206  -7.902   0.840
   48    HB   ILE   5           HB       ILE   5  21.233  -8.083  -0.291
   49   1HG1  ILE   5          HG12      ILE   5  20.021  -9.980   1.714
   50   2HG1  ILE   5          HG11      ILE   5  19.928  -8.232   1.907
   51   1HG2  ILE   5          HG21      ILE   5  20.759 -10.454  -0.911
   52   2HG2  ILE   5          HG22      ILE   5  21.889 -10.952   0.338
   53   3HG2  ILE   5          HG23      ILE   5  22.452  -9.991  -1.028
   54   1HD1  ILE   5          HD11      ILE   5  18.930  -8.276  -0.483
   55   2HD1  ILE   5          HD12      ILE   5  17.926  -8.710   0.897
   56   3HD1  ILE   5          HD13      ILE   5  18.611  -9.975  -0.122
   57    H    THR   6           HN       THR   6  23.105  -6.225   2.201
   58    HA   THR   6           HA       THR   6  21.349  -6.523   4.529
   59    HB   THR   6           HB       THR   6  23.377  -6.908   5.499
   60    HG1  THR   6           HG1      THR   6  22.316  -5.038   6.422
   61   1HG2  THR   6          HG21      THR   6  24.485  -5.414   3.301
   62   2HG2  THR   6          HG22      THR   6  25.239  -6.625   4.339
   63   3HG2  THR   6          HG23      THR   6  25.198  -4.932   4.838
   64    H    VAL   7           HN       VAL   7  19.845  -5.147   4.457
   65    HA   VAL   7           HA       VAL   7  20.326  -2.444   3.407
   66    HB   VAL   7           HB       VAL   7  18.402  -3.339   2.321
   67   1HG1  VAL   7          HG11      VAL   7  16.480  -3.983   4.204
   68   2HG1  VAL   7          HG12      VAL   7  17.968  -4.684   4.841
   69   3HG1  VAL   7          HG13      VAL   7  17.421  -5.111   3.219
   70   1HG2  VAL   7          HG21      VAL   7  18.092  -1.162   4.158
   71   2HG2  VAL   7          HG22      VAL   7  16.568  -2.040   4.028
   72   3HG2  VAL   7          HG23      VAL   7  17.345  -1.406   2.579
   73    H    THR   8           HN       THR   8  21.396  -1.572   5.195
   74    HA   THR   8           HA       THR   8  20.646  -1.902   7.853
   75    HB   THR   8           HB       THR   8  21.833   0.416   8.046
   76    HG1  THR   8           HG1      THR   8  22.540   1.243   6.266
   77   1HG2  THR   8          HG21      THR   8  22.965  -1.585   8.703
   78   2HG2  THR   8          HG22      THR   8  24.049  -0.599   7.722
   79   3HG2  THR   8          HG23      THR   8  23.260  -2.010   7.016
   80    H    VAL   9           HN       VAL   9  18.409  -1.761   7.979
   81    HA   VAL   9           HA       VAL   9  17.034   0.599   7.122
   82    HB   VAL   9           HB       VAL   9  16.038  -1.768   8.690
   83   1HG1  VAL   9          HG11      VAL   9  14.817   0.736   8.256
   84   2HG1  VAL   9          HG12      VAL   9  14.096  -0.716   8.934
   85   3HG1  VAL   9          HG13      VAL   9  14.002  -0.417   7.204
   86   1HG2  VAL   9          HG21      VAL   9  16.849  -1.615   6.040
   87   2HG2  VAL   9          HG22      VAL   9  15.093  -1.502   5.966
   88   3HG2  VAL   9          HG23      VAL   9  15.854  -2.880   6.760
   89    H    ASP  10           HN       ASP  10  15.742  -0.492  10.110
   90    HA   ASP  10           HA       ASP  10  15.600   0.428  12.187
   91   1HB   ASP  10          HB2       ASP  10  17.958   0.592  12.463
   92   2HB   ASP  10          HB1       ASP  10  18.079   1.922  11.320
   93    H    SER  11           HN       SER  11  15.783   2.323   9.318
   94    HA   SER  11           HA       SER  11  13.935   4.298  10.460
   95   1HB   SER  11          HB2       SER  11  16.393   4.820   9.343
   96   2HB   SER  11          HB1       SER  11  15.313   5.035   7.967
   97    HG   SER  11           HG       SER  11  15.083   6.307  10.495
   98    H    ASP  12           HN       ASP  12  14.871   2.457   7.572
   99    HA   ASP  12           HA       ASP  12  12.570   3.069   6.058
  100   1HB   ASP  12          HB2       ASP  12  14.165   0.532   5.766
  101   2HB   ASP  12          HB1       ASP  12  13.316   1.444   4.525
  102    H    SER  13           HN       SER  13  11.040   1.207   5.333
  103    HA   SER  13           HA       SER  13   9.546   0.530   7.592
  104   1HB   SER  13          HB2       SER  13   9.075   0.634   4.838
  105   2HB   SER  13          HB1       SER  13   8.639  -0.997   5.354
  106    HG   SER  13           HG       SER  13   7.744   1.392   6.599
  107    H    TYR  14           HN       TYR  14  12.042  -1.304   6.191
  108    HA   TYR  14           HA       TYR  14  11.463  -3.940   6.492
  109   1HB   TYR  14          HB2       TYR  14  13.674  -3.620   6.090
  110   2HB   TYR  14          HB1       TYR  14  13.754  -2.244   7.187
  111    HD1  TYR  14           HD1      TYR  14  13.560  -5.948   7.126
  112    HD2  TYR  14           HD2      TYR  14  14.564  -2.497   9.383
  113    HE1  TYR  14           HE1      TYR  14  14.524  -7.384   8.875
  114    HE2  TYR  14           HE2      TYR  14  15.545  -3.914  11.132
  115    HH   TYR  14           HH       TYR  14  16.485  -6.172  11.366
  116    H    GLN  15           HN       GLN  15  12.586  -1.826   9.110
  117    HA   GLN  15           HA       GLN  15  12.388  -3.475  11.267
  118   1HB   GLN  15          HB2       GLN  15  11.819  -1.198  12.503
  119   2HB   GLN  15          HB1       GLN  15  13.415  -1.537  11.849
  120   1HG   GLN  15          HG2       GLN  15  13.284   0.123  10.385
  121   2HG   GLN  15          HG1       GLN  15  11.652  -0.327   9.896
  122   1HE2  GLN  15          HE21      GLN  15  10.233  -0.032  12.180
  123   2HE2  GLN  15          HE22      GLN  15  10.246   1.619  12.688
  124    H    LEU  16           HN       LEU  16   9.784  -1.694   9.706
  125    HA   LEU  16           HA       LEU  16   7.844  -1.910  11.711
  126   1HB   LEU  16          HB2       LEU  16   7.829  -1.482   8.790
  127   2HB   LEU  16          HB1       LEU  16   6.344  -2.120   9.461
  128    HG   LEU  16           HG       LEU  16   7.485   0.213  10.868
  129   1HD1  LEU  16          HD11      LEU  16   7.938   0.928   8.633
  130   2HD1  LEU  16          HD12      LEU  16   6.485   1.759   9.188
  131   3HD1  LEU  16          HD13      LEU  16   6.352   0.390   8.084
  132   1HD2  LEU  16          HD21      LEU  16   5.348   0.518  11.505
  133   2HD2  LEU  16          HD22      LEU  16   5.164  -1.162  10.999
  134   3HD2  LEU  16          HD23      LEU  16   4.707   0.144   9.905
  135    H    LEU  17           HN       LEU  17   8.647  -4.095   9.046
  136    HA   LEU  17           HA       LEU  17   6.690  -6.031   9.576
  137   1HB   LEU  17          HB2       LEU  17   8.734  -5.687   7.726
  138   2HB   LEU  17          HB1       LEU  17   9.095  -7.196   8.545
  139    HG   LEU  17           HG       LEU  17   7.790  -7.699   6.595
  140   1HD1  LEU  17          HD11      LEU  17   6.810  -8.208   9.266
  141   2HD1  LEU  17          HD12      LEU  17   6.899  -9.283   7.872
  142   3HD1  LEU  17          HD13      LEU  17   5.505  -8.224   8.080
  143   1HD2  LEU  17          HD21      LEU  17   6.797  -5.466   6.306
  144   2HD2  LEU  17          HD22      LEU  17   5.716  -5.787   7.661
  145   3HD2  LEU  17          HD23      LEU  17   5.597  -6.752   6.190
  146    H    LYS  18           HN       LYS  18  10.103  -5.909  10.535
  147    HA   LYS  18           HA       LYS  18   9.924  -8.290  12.040
  148   1HB   LYS  18          HB2       LYS  18  12.173  -7.552  12.962
  149   2HB   LYS  18          HB1       LYS  18  12.083  -7.800  11.225
  150   1HG   LYS  18          HG2       LYS  18  12.726  -5.721  10.844
  151   2HG   LYS  18          HG1       LYS  18  11.417  -5.090  11.843
  152   1HD   LYS  18          HD2       LYS  18  13.382  -6.163  13.586
  153   2HD   LYS  18          HD1       LYS  18  14.212  -5.156  12.400
  154   1HE   LYS  18          HE2       LYS  18  13.165  -3.240  13.089
  155   2HE   LYS  18          HE1       LYS  18  11.736  -4.099  13.663
  156   1HZ   LYS  18          HZ1       LYS  18  12.635  -4.423  15.682
  157   2HZ   LYS  18          HZ2       LYS  18  13.602  -3.097  15.273
  158   3HZ   LYS  18          HZ3       LYS  18  14.200  -4.668  15.086
  159    H    ALA  19           HN       ALA  19   9.293  -5.043  12.635
  160    HA   ALA  19           HA       ALA  19   9.500  -5.002  15.435
  161   1HB   ALA  19          HB1       ALA  19   7.809  -3.097  15.235
  162   2HB   ALA  19          HB2       ALA  19   7.900  -3.360  13.493
  163   3HB   ALA  19          HB3       ALA  19   9.346  -2.900  14.392
  164    H    TYR  20           HN       TYR  20   7.199  -6.347  13.254
  165    HA   TYR  20           HA       TYR  20   5.531  -7.148  15.496
  166   1HB   TYR  20          HB2       TYR  20   4.302  -6.910  12.798
  167   2HB   TYR  20          HB1       TYR  20   3.557  -6.735  14.382
  168    HD1  TYR  20           HD1      TYR  20   3.588  -5.025  11.686
  169    HD2  TYR  20           HD2      TYR  20   5.355  -4.605  15.532
  170    HE1  TYR  20           HE1      TYR  20   3.628  -2.601  11.380
  171    HE2  TYR  20           HE2      TYR  20   5.405  -2.162  15.244
  172    HH   TYR  20           HH       TYR  20   3.647  -0.520  13.178
  173    H    ASP  21           HN       ASP  21   7.760  -8.400  13.499
  174    HA   ASP  21           HA       ASP  21   7.113 -11.033  13.799
  175   1HB   ASP  21          HB2       ASP  21   5.438  -9.811  11.737
  176   2HB   ASP  21          HB1       ASP  21   6.379 -11.163  11.115
  177    H    VAL  22           HN       VAL  22   9.370 -10.185  13.980
  178    HA   VAL  22           HA       VAL  22  10.961  -9.620  11.757
  179    HB   VAL  22           HB       VAL  22  11.668  -9.087  13.952
  180   1HG1  VAL  22          HG11      VAL  22  12.330 -10.887  15.559
  181   2HG1  VAL  22          HG12      VAL  22  11.544 -12.043  14.482
  182   3HG1  VAL  22          HG13      VAL  22  10.598 -10.757  15.237
  183   1HG2  VAL  22          HG21      VAL  22  13.290 -10.564  12.116
  184   2HG2  VAL  22          HG22      VAL  22  13.807 -10.950  13.759
  185   3HG2  VAL  22          HG23      VAL  22  13.769  -9.272  13.219
  186    H    ASN  23           HN       ASN  23   9.876 -11.196  10.415
  187    HA   ASN  23           HA       ASN  23  11.555 -13.518   9.996
  188   1HB   ASN  23          HB2       ASN  23   9.317 -13.972  11.376
  189   2HB   ASN  23          HB1       ASN  23   8.618 -13.929   9.764
  190   1HD2  ASN  23          HD21      ASN  23  10.166 -15.818  12.057
  191   2HD2  ASN  23          HD22      ASN  23  10.536 -17.183  11.065
  192    H    ILE  24           HN       ILE  24  11.945 -11.566   8.533
  193    HA   ILE  24           HA       ILE  24  10.374 -11.836   6.170
  194    HB   ILE  24           HB       ILE  24  10.588  -9.574   5.649
  195   1HG1  ILE  24          HG12      ILE  24  12.580  -8.956   6.690
  196   2HG1  ILE  24          HG11      ILE  24  11.296  -7.924   7.335
  197   1HG2  ILE  24          HG21      ILE  24   8.551  -9.522   6.515
  198   2HG2  ILE  24          HG22      ILE  24   9.292  -8.815   7.947
  199   3HG2  ILE  24          HG23      ILE  24   9.039 -10.557   7.855
  200   1HD1  ILE  24          HD11      ILE  24  12.183  -8.476   9.307
  201   2HD1  ILE  24          HD12      ILE  24  12.981  -9.909   8.645
  202   3HD1  ILE  24          HD13      ILE  24  11.255  -9.970   9.082
  203    H    SER  25           HN       SER  25  13.450 -11.338   7.593
  204    HA   SER  25           HA       SER  25  15.027 -10.558   5.549
  205   1HB   SER  25          HB2       SER  25  16.578 -12.584   6.501
  206   2HB   SER  25          HB1       SER  25  16.405 -11.024   7.303
  207    HG   SER  25           HG       SER  25  15.984 -13.131   8.507
  208    H    GLY  26           HN       GLY  26  13.679 -13.753   6.136
  209   1HA   GLY  26          HA2       GLY  26  14.710 -14.963   3.746
  210   2HA   GLY  26          HA1       GLY  26  13.409 -15.594   4.757
  211    H    LEU  27           HN       LEU  27  11.818 -13.217   4.675
  212    HA   LEU  27           HA       LEU  27  10.209 -13.662   2.453
  213   1HB   LEU  27          HB2       LEU  27   9.383 -12.651   4.486
  214   2HB   LEU  27          HB1       LEU  27  10.493 -11.302   4.301
  215    HG   LEU  27           HG       LEU  27   8.651 -11.677   2.044
  216   1HD1  LEU  27          HD11      LEU  27   6.963 -10.328   3.600
  217   2HD1  LEU  27          HD12      LEU  27   7.696 -11.364   4.826
  218   3HD1  LEU  27          HD13      LEU  27   6.901 -12.083   3.424
  219   1HD2  LEU  27          HD21      LEU  27  10.373  -9.784   2.839
  220   2HD2  LEU  27          HD22      LEU  27   8.890  -9.166   3.573
  221   3HD2  LEU  27          HD23      LEU  27   8.961  -9.449   1.833
  222    H    VAL  28           HN       VAL  28  12.708 -11.227   3.159
  223    HA   VAL  28           HA       VAL  28  12.541  -9.502   1.073
  224    HB   VAL  28           HB       VAL  28  14.932 -10.828   2.324
  225   1HG1  VAL  28          HG11      VAL  28  16.138 -10.179   0.550
  226   2HG1  VAL  28          HG12      VAL  28  15.982  -8.571   1.265
  227   3HG1  VAL  28          HG13      VAL  28  14.882  -9.071  -0.020
  228   1HG2  VAL  28          HG21      VAL  28  15.104  -8.832   3.595
  229   2HG2  VAL  28          HG22      VAL  28  13.408  -9.340   3.634
  230   3HG2  VAL  28          HG23      VAL  28  13.913  -8.016   2.580
  231    H    SER  29           HN       SER  29  14.390 -12.534   0.974
  232    HA   SER  29           HA       SER  29  14.783 -12.520  -1.820
  233   1HB   SER  29          HB2       SER  29  15.488 -14.887  -1.478
  234   2HB   SER  29          HB1       SER  29  16.293 -13.749  -0.398
  235    HG   SER  29           HG       SER  29  14.341 -15.676   0.169
  236    H    THR  30           HN       THR  30  12.073 -13.446   0.120
  237    HA   THR  30           HA       THR  30  10.974 -15.334  -1.733
  238    HB   THR  30           HB       THR  30   9.753 -13.832   0.592
  239    HG1  THR  30           HG1      THR  30  10.253 -15.541   1.718
  240   1HG2  THR  30          HG21      THR  30   8.238 -14.841  -1.428
  241   2HG2  THR  30          HG22      THR  30   7.723 -14.693   0.254
  242   3HG2  THR  30          HG23      THR  30   8.360 -16.226  -0.341
  243    H    THR  31           HN       THR  31  10.407 -11.954  -0.883
  244    HA   THR  31           HA       THR  31   8.353 -11.440  -2.666
  245    HB   THR  31           HB       THR  31  10.540  -9.522  -1.854
  246    HG1  THR  31           HG1      THR  31   9.751  -9.768   0.057
  247   1HG2  THR  31          HG21      THR  31   9.203  -8.562  -3.586
  248   2HG2  THR  31          HG22      THR  31   8.774  -7.811  -2.046
  249   3HG2  THR  31          HG23      THR  31   7.717  -9.032  -2.759
  250    H    MET  32           HN       MET  32  11.694 -11.904  -3.144
  251    HA   MET  32           HA       MET  32  11.821 -10.717  -5.757
  252   1HB   MET  32          HB2       MET  32  13.936 -12.634  -5.025
  253   2HB   MET  32          HB1       MET  32  14.062 -11.015  -5.680
  254   1HG   MET  32          HG2       MET  32  13.403 -11.571  -2.805
  255   2HG   MET  32          HG1       MET  32  15.020 -11.360  -3.403
  256   1HE   MET  32          HE1       MET  32  16.114  -8.915  -3.909
  257   2HE   MET  32          HE2       MET  32  15.921  -9.671  -2.322
  258   3HE   MET  32          HE3       MET  32  15.556  -7.951  -2.530
  259    H    GLN  33           HN       GLN  33  11.098 -13.823  -4.403
  260    HA   GLN  33           HA       GLN  33  11.613 -15.378  -6.722
  261   1HB   GLN  33          HB2       GLN  33  11.220 -16.148  -4.282
  262   2HB   GLN  33          HB1       GLN  33   9.513 -16.069  -4.693
  263   1HG   GLN  33          HG2       GLN  33  10.996 -17.509  -6.700
  264   2HG   GLN  33          HG1       GLN  33  11.253 -18.200  -5.099
  265   1HE2  GLN  33          HE21      GLN  33   9.915 -19.786  -4.672
  266   2HE2  GLN  33          HE22      GLN  33   8.271 -19.910  -5.187
  267    H    ASN  34           HN       ASN  34   8.744 -13.792  -5.408
  268    HA   ASN  34           HA       ASN  34   6.961 -14.603  -7.460
  269   1HB   ASN  34          HB2       ASN  34   6.198 -13.747  -5.260
  270   2HB   ASN  34          HB1       ASN  34   6.867 -12.166  -5.652
  271   1HD2  ASN  34          HD21      ASN  34   5.125 -10.917  -5.788
  272   2HD2  ASN  34          HD22      ASN  34   3.780 -11.194  -6.837
  273    H    GLU  35           HN       GLU  35   9.019 -11.780  -6.980
  274    HA   GLU  35           HA       GLU  35   8.251 -10.495  -9.407
  275   1HB   GLU  35          HB2       GLU  35  10.317 -10.119  -7.324
  276   2HB   GLU  35          HB1       GLU  35  10.780  -9.575  -8.930
  277   1HG   GLU  35          HG2       GLU  35   9.859  -7.710  -7.824
  278   2HG   GLU  35          HG1       GLU  35   8.648  -8.252  -8.985
  279    H    ALA  36           HN       ALA  36  10.739 -12.741  -8.388
  280    HA   ALA  36           HA       ALA  36  12.321 -12.907 -10.660
  281   1HB   ALA  36          HB1       ALA  36  13.219 -14.164  -9.000
  282   2HB   ALA  36          HB2       ALA  36  12.362 -15.453  -9.846
  283   3HB   ALA  36          HB3       ALA  36  11.647 -14.709  -8.416
  284    H    ARG  37           HN       ARG  37   9.453 -14.813  -9.787
  285    HA   ARG  37           HA       ARG  37   9.219 -16.266 -12.172
  286   1HB   ARG  37          HB2       ARG  37   7.585 -15.708  -9.861
  287   2HB   ARG  37          HB1       ARG  37   6.629 -15.735 -11.338
  288   1HG   ARG  37          HG2       ARG  37   8.294 -17.933 -10.143
  289   2HG   ARG  37          HG1       ARG  37   6.561 -17.924 -10.473
  290   1HD   ARG  37          HD2       ARG  37   7.320 -17.582 -12.942
  291   2HD   ARG  37          HD1       ARG  37   8.856 -18.227 -12.364
  292    HE   ARG  37           HE       ARG  37   6.473 -19.696 -12.873
  293   1HH1  ARG  37          HH11      ARG  37   9.260 -19.568 -10.777
  294   2HH1  ARG  37          HH12      ARG  37   9.233 -21.265 -10.431
  295   1HH2  ARG  37          HH21      ARG  37   6.436 -21.928 -12.418
  296   2HH2  ARG  37          HH22      ARG  37   7.632 -22.605 -11.363
  297    H    ARG  38           HN       ARG  38   7.606 -13.372 -11.048
  298    HA   ARG  38           HA       ARG  38   6.095 -12.830 -13.246
  299   1HB   ARG  38          HB2       ARG  38   6.304 -11.626 -10.925
  300   2HB   ARG  38          HB1       ARG  38   7.377 -10.543 -11.801
  301   1HG   ARG  38          HG2       ARG  38   5.428 -10.364 -13.490
  302   2HG   ARG  38          HG1       ARG  38   4.449 -11.005 -12.169
  303   1HD   ARG  38          HD2       ARG  38   6.273  -8.726 -11.600
  304   2HD   ARG  38          HD1       ARG  38   4.796  -8.406 -12.507
  305    HE   ARG  38           HE       ARG  38   5.013  -9.081  -9.716
  306   1HH1  ARG  38          HH11      ARG  38   2.916  -9.031 -12.505
  307   2HH1  ARG  38          HH12      ARG  38   1.461  -9.009 -11.566
  308   1HH2  ARG  38          HH21      ARG  38   3.101  -9.054  -8.480
  309   2HH2  ARG  38          HH22      ARG  38   1.566  -9.022  -9.281
  310    H    LEU  39           HN       LEU  39   9.379 -11.464 -12.620
  311    HA   LEU  39           HA       LEU  39   9.700  -9.980 -14.890
  312   1HB   LEU  39          HB2       LEU  39  11.721 -11.671 -13.427
  313   2HB   LEU  39          HB1       LEU  39  12.140 -10.452 -14.616
  314    HG   LEU  39           HG       LEU  39  11.994  -8.831 -13.139
  315   1HD1  LEU  39          HD11      LEU  39   9.451  -9.067 -13.233
  316   2HD1  LEU  39          HD12      LEU  39  10.182  -8.160 -11.915
  317   3HD1  LEU  39          HD13      LEU  39   9.628  -9.804 -11.645
  318   1HD2  LEU  39          HD21      LEU  39  13.284 -10.085 -11.702
  319   2HD2  LEU  39          HD22      LEU  39  11.970 -11.208 -11.363
  320   3HD2  LEU  39          HD23      LEU  39  11.945  -9.591 -10.665
  321    H    ARG  40           HN       ARG  40   8.840 -10.820 -16.744
  322    HA   ARG  40           HA       ARG  40  10.482 -12.456 -18.340
  323   1HB   ARG  40          HB2       ARG  40   9.063 -14.003 -16.619
  324   2HB   ARG  40          HB1       ARG  40   7.939 -13.915 -17.968
  325   1HG   ARG  40          HG2       ARG  40  10.644 -14.470 -18.845
  326   2HG   ARG  40          HG1       ARG  40  10.056 -15.668 -17.691
  327   1HD   ARG  40          HD2       ARG  40   7.893 -15.372 -19.316
  328   2HD   ARG  40          HD1       ARG  40   9.219 -15.130 -20.453
  329    HE   ARG  40           HE       ARG  40   9.679 -17.358 -20.312
  330   1HH1  ARG  40          HH11      ARG  40   7.772 -16.450 -17.534
  331   2HH1  ARG  40          HH12      ARG  40   7.600 -18.076 -16.964
  332   1HH2  ARG  40          HH21      ARG  40   9.453 -19.498 -19.563
  333   2HH2  ARG  40          HH22      ARG  40   8.554 -19.807 -18.115
  334    H    ALA  41           HN       ALA  41   9.987 -10.393 -19.426
  335    HA   ALA  41           HA       ALA  41   9.045  -9.294 -21.186
  336   1HB   ALA  41          HB1       ALA  41   6.925 -11.276 -21.699
  337   2HB   ALA  41          HB2       ALA  41   8.581 -11.876 -21.796
  338   3HB   ALA  41          HB3       ALA  41   8.072 -10.523 -22.807
  339    H    GLU  42           HN       GLU  42   7.986  -9.205 -18.377
  340    HA   GLU  42           HA       GLU  42   5.779  -7.481 -18.903
  341   1HB   GLU  42          HB2       GLU  42   5.322 -10.241 -17.962
  342   2HB   GLU  42          HB1       GLU  42   4.453  -8.988 -17.087
  343   1HG   GLU  42          HG2       GLU  42   3.726  -8.166 -19.411
  344   2HG   GLU  42          HG1       GLU  42   4.251  -9.753 -19.971
  345    H    ARG  43           HN       ARG  43   5.137  -6.261 -17.043
  346    HA   ARG  43           HA       ARG  43   6.881  -6.588 -14.699
  347   1HB   ARG  43          HB2       ARG  43   7.756  -4.798 -16.183
  348   2HB   ARG  43          HB1       ARG  43   6.229  -3.944 -16.011
  349   1HG   ARG  43          HG2       ARG  43   6.793  -3.104 -14.025
  350   2HG   ARG  43          HG1       ARG  43   7.442  -4.643 -13.457
  351   1HD   ARG  43          HD2       ARG  43   8.868  -2.756 -15.328
  352   2HD   ARG  43          HD1       ARG  43   9.142  -2.843 -13.589
  353    HE   ARG  43           HE       ARG  43  10.175  -4.607 -15.577
  354   1HH1  ARG  43          HH11      ARG  43   9.109  -4.451 -12.257
  355   2HH1  ARG  43          HH12      ARG  43  10.085  -5.787 -11.750
  356   1HH2  ARG  43          HH21      ARG  43  11.460  -6.366 -14.911
  357   2HH2  ARG  43          HH22      ARG  43  11.421  -6.874 -13.256
  358    H    TRP  44           HN       TRP  44   4.317  -4.310 -15.684
  359    HA   TRP  44           HA       TRP  44   2.681  -5.274 -13.450
  360   1HB   TRP  44          HB2       TRP  44   3.790  -2.543 -13.819
  361   2HB   TRP  44          HB1       TRP  44   2.121  -2.655 -13.270
  362    HD1  TRP  44           HD1      TRP  44   5.393  -4.495 -12.233
  363    HE1  TRP  44           HE1      TRP  44   5.511  -4.488  -9.662
  364    HE3  TRP  44           HE3      TRP  44   1.074  -1.951 -11.229
  365    HZ2  TRP  44           HZ2      TRP  44   3.976  -3.530  -7.495
  366    HZ3  TRP  44           HZ3      TRP  44   0.471  -1.531  -8.880
  367    HH2  TRP  44           HH2      TRP  44   1.893  -2.306  -7.053
  368    H    LYS  45           HN       LYS  45   2.369  -2.513 -15.660
  369    HA   LYS  45           HA       LYS  45   0.802  -1.958 -17.207
  370   1HB   LYS  45          HB2       LYS  45   0.507  -4.960 -17.356
  371   2HB   LYS  45          HB1       LYS  45  -0.330  -3.848 -18.430
  372   1HG   LYS  45          HG2       LYS  45   2.661  -4.064 -18.155
  373   2HG   LYS  45          HG1       LYS  45   1.696  -4.803 -19.434
  374   1HD   LYS  45          HD2       LYS  45   1.650  -2.899 -20.590
  375   2HD   LYS  45          HD1       LYS  45   1.084  -1.996 -19.185
  376   1HE   LYS  45          HE2       LYS  45   3.964  -2.776 -19.540
  377   2HE   LYS  45          HE1       LYS  45   3.305  -1.284 -20.210
  378   1HZ   LYS  45          HZ1       LYS  45   3.349  -2.055 -17.342
  379   2HZ   LYS  45          HZ2       LYS  45   2.617  -0.658 -17.953
  380   3HZ   LYS  45          HZ3       LYS  45   4.292  -0.857 -18.076
  381    H    VAL  46           HN       VAL  46  -0.869  -4.822 -15.936
  382    HA   VAL  46           HA       VAL  46  -3.087  -3.069 -15.139
  383    HB   VAL  46           HB       VAL  46  -3.149  -6.072 -15.442
  384   1HG1  VAL  46          HG11      VAL  46  -5.669  -5.253 -15.844
  385   2HG1  VAL  46          HG12      VAL  46  -5.122  -3.986 -14.746
  386   3HG1  VAL  46          HG13      VAL  46  -5.034  -5.677 -14.254
  387   1HG2  VAL  46          HG21      VAL  46  -4.563  -5.185 -17.550
  388   2HG2  VAL  46          HG22      VAL  46  -2.850  -5.596 -17.632
  389   3HG2  VAL  46          HG23      VAL  46  -3.345  -3.914 -17.445
  390    H    GLU  47           HN       GLU  47  -3.073  -2.519 -13.062
  391    HA   GLU  47           HA       GLU  47  -3.122  -4.479 -11.003
  392   1HB   GLU  47          HB2       GLU  47  -0.565  -3.765 -11.748
  393   2HB   GLU  47          HB1       GLU  47  -0.882  -2.697 -10.388
  394   1HG   GLU  47          HG2       GLU  47  -1.444  -5.623 -10.176
  395   2HG   GLU  47          HG1       GLU  47   0.194  -5.005  -9.971
  396    H    ASN  48           HN       ASN  48  -2.360  -1.060 -11.635
  397    HA   ASN  48           HA       ASN  48  -3.441  -0.088  -9.212
  398   1HB   ASN  48          HB2       ASN  48  -1.931   1.011 -11.170
  399   2HB   ASN  48          HB1       ASN  48  -3.500   1.706 -11.566
  400   1HD2  ASN  48          HD21      ASN  48  -4.694   2.511  -9.522
  401   2HD2  ASN  48          HD22      ASN  48  -3.745   3.488  -8.459
  402    H    GLN  49           HN       GLN  49  -5.486   0.096  -8.595
  403    HA   GLN  49           HA       GLN  49  -7.563   0.466 -10.639
  404   1HB   GLN  49          HB2       GLN  49  -7.813  -1.408  -8.281
  405   2HB   GLN  49          HB1       GLN  49  -9.027  -1.116  -9.519
  406   1HG   GLN  49          HG2       GLN  49  -7.598  -2.112 -11.199
  407   2HG   GLN  49          HG1       GLN  49  -6.320  -2.338 -10.005
  408   1HE2  GLN  49          HE21      GLN  49  -9.817  -2.927  -9.936
  409   2HE2  GLN  49          HE22      GLN  49  -9.702  -4.595  -9.503
  410    H    GLU  50           HN       GLU  50  -9.093   1.935 -10.143
  411    HA   GLU  50           HA       GLU  50 -10.210   3.579  -9.040
  412   1HB   GLU  50          HB2       GLU  50  -9.916   1.455  -7.129
  413   2HB   GLU  50          HB1       GLU  50  -9.787   3.001  -6.302
  414   1HG   GLU  50          HG2       GLU  50 -11.921   3.678  -7.408
  415   2HG   GLU  50          HG1       GLU  50 -12.064   2.026  -8.006
  416    H    GLY  51           HN       GLY  51  -7.799   2.975  -6.507
  417   1HA   GLY  51          HA2       GLY  51  -5.812   4.208  -6.135
  418   2HA   GLY  51          HA1       GLY  51  -6.385   5.424  -7.268
  419    H    MET  52           HN       MET  52  -9.063   5.440  -5.943
  420    HA   MET  52           HA       MET  52  -8.302   7.175  -3.700
  421   1HB   MET  52          HB2       MET  52 -10.601   8.115  -3.957
  422   2HB   MET  52          HB1       MET  52  -9.579   8.332  -5.371
  423   1HG   MET  52          HG2       MET  52 -10.699   6.598  -6.548
  424   2HG   MET  52          HG1       MET  52 -11.576   6.104  -5.101
  425   1HE   MET  52          HE1       MET  52 -13.455   6.352  -7.416
  426   2HE   MET  52          HE2       MET  52 -14.689   7.442  -6.783
  427   3HE   MET  52          HE3       MET  52 -13.969   6.221  -5.734
  428    H    VAL  53           HN       VAL  53  -8.883   6.717  -1.664
  429    HA   VAL  53           HA       VAL  53 -11.052   4.859  -1.122
  430    HB   VAL  53           HB       VAL  53  -9.533   3.579   0.490
  431   1HG1  VAL  53          HG11      VAL  53  -9.244   3.279  -2.494
  432   2HG1  VAL  53          HG12      VAL  53 -10.440   2.510  -1.451
  433   3HG1  VAL  53          HG13      VAL  53  -8.739   2.063  -1.322
  434   1HG2  VAL  53          HG21      VAL  53  -7.244   3.663   0.298
  435   2HG2  VAL  53          HG22      VAL  53  -7.663   5.352   0.011
  436   3HG2  VAL  53          HG23      VAL  53  -7.297   4.292  -1.349
  437    H    GLU  54           HN       GLU  54 -12.093   6.562  -0.092
  438    HA   GLU  54           HA       GLU  54 -12.692   7.894   1.651
  439   1HB   GLU  54          HB2       GLU  54 -11.558   5.627   2.781
  440   2HB   GLU  54          HB1       GLU  54 -10.732   6.949   3.593
  441   1HG   GLU  54          HG2       GLU  54 -13.719   6.633   3.404
  442   2HG   GLU  54          HG1       GLU  54 -12.732   6.181   4.793
  443    H    VAL  55           HN       VAL  55 -12.031   9.873   0.933
  444    HA   VAL  55           HA       VAL  55  -9.275  10.698   1.365
  445    HB   VAL  55           HB       VAL  55 -11.505  12.304   0.148
  446   1HG1  VAL  55          HG11      VAL  55  -9.243  13.182  -1.024
  447   2HG1  VAL  55          HG12      VAL  55  -8.615  12.721   0.558
  448   3HG1  VAL  55          HG13      VAL  55  -9.926  13.894   0.438
  449   1HG2  VAL  55          HG21      VAL  55 -10.887  11.544  -1.999
  450   2HG2  VAL  55          HG22      VAL  55 -11.021  10.095  -1.002
  451   3HG2  VAL  55          HG23      VAL  55  -9.432  10.757  -1.387
  452    H    ALA  56           HN       ALA  56 -11.954  10.608   3.152
  453    HA   ALA  56           HA       ALA  56 -12.705  11.633   5.045
  454   1HB   ALA  56          HB1       ALA  56 -10.049  11.322   5.350
  455   2HB   ALA  56          HB2       ALA  56 -11.101  12.009   6.587
  456   3HB   ALA  56          HB3       ALA  56 -10.177  13.072   5.526
  457    H    ARG  57           HN       ARG  57 -14.214  13.051   4.248
  458    HA   ARG  57           HA       ARG  57 -13.428  15.621   3.190
  459   1HB   ARG  57          HB2       ARG  57 -15.881  16.013   3.027
  460   2HB   ARG  57          HB1       ARG  57 -15.346  14.555   2.202
  461   1HG   ARG  57          HG2       ARG  57 -16.064  13.926   4.903
  462   2HG   ARG  57          HG1       ARG  57 -17.377  14.807   4.119
  463   1HD   ARG  57          HD2       ARG  57 -16.104  12.674   2.525
  464   2HD   ARG  57          HD1       ARG  57 -17.035  12.143   3.925
  465    HE   ARG  57           HE       ARG  57 -18.710  13.871   2.698
  466   1HH1  ARG  57          HH11      ARG  57 -16.899  11.110   1.569
  467   2HH1  ARG  57          HH12      ARG  57 -18.052  10.697   0.345
  468   1HH2  ARG  57          HH21      ARG  57 -20.228  13.330   1.089
  469   2HH2  ARG  57          HH22      ARG  57 -19.942  11.957   0.072
  470    H    PHE  58           HN       PHE  58 -15.046  17.475   4.103
  471    HA   PHE  58           HA       PHE  58 -15.108  17.453   7.010
  472   1HB   PHE  58          HB2       PHE  58 -12.841  18.387   5.933
  473   2HB   PHE  58          HB1       PHE  58 -13.812  19.850   5.827
  474    HD1  PHE  58           HD1      PHE  58 -11.288  18.957   7.583
  475    HD2  PHE  58           HD2      PHE  58 -15.442  19.525   8.314
  476    HE1  PHE  58           HE1      PHE  58 -10.802  19.445   9.945
  477    HE2  PHE  58           HE2      PHE  58 -14.964  20.014  10.675
  478    HZ   PHE  58           HZ       PHE  58 -12.642  19.976  11.494
  479    H    ILE  59           HN       ILE  59 -17.168  17.479   5.080
  480    HA   ILE  59           HA       ILE  59 -18.317  20.150   5.561
  481    HB   ILE  59           HB       ILE  59 -18.901  18.412   3.162
  482   1HG1  ILE  59          HG12      ILE  59 -17.562  21.009   2.774
  483   2HG1  ILE  59          HG11      ILE  59 -16.574  19.786   3.568
  484   1HG2  ILE  59          HG21      ILE  59 -20.465  19.905   2.546
  485   2HG2  ILE  59          HG22      ILE  59 -19.528  21.281   3.128
  486   3HG2  ILE  59          HG23      ILE  59 -20.479  20.320   4.260
  487   1HD1  ILE  59          HD11      ILE  59 -17.824  18.523   1.392
  488   2HD1  ILE  59          HD12      ILE  59 -16.119  18.930   1.587
  489   3HD1  ILE  59          HD13      ILE  59 -17.215  20.072   0.809
  490    H    GLU  60           HN       GLU  60 -19.422  16.931   4.481
  491    HA   GLU  60           HA       GLU  60 -21.331  15.773   4.963
  492   1HB   GLU  60          HB2       GLU  60 -21.474  15.094   7.254
  493   2HB   GLU  60          HB1       GLU  60 -19.775  15.292   6.847
  494   1HG   GLU  60          HG2       GLU  60 -19.648  17.351   8.028
  495   2HG   GLU  60          HG1       GLU  60 -21.396  17.401   8.247
  496    H    MET  61           HN       MET  61 -21.813  18.555   4.380
  497    HA   MET  61           HA       MET  61 -23.514  20.063   4.403
  498   1HB   MET  61          HB2       MET  61 -24.849  17.609   5.488
  499   2HB   MET  61          HB1       MET  61 -25.726  19.132   5.444
  500   1HG   MET  61          HG2       MET  61 -25.370  19.274   3.035
  501   2HG   MET  61          HG1       MET  61 -24.481  17.752   3.076
  502   1HE   MET  61          HE1       MET  61 -27.399  19.478   2.302
  503   2HE   MET  61          HE2       MET  61 -28.738  18.331   2.262
  504   3HE   MET  61          HE3       MET  61 -27.387  18.147   1.144
  505    H    ASN  62           HN       ASN  62 -22.834  21.680   5.704
  506    HA   ASN  62           HA       ASN  62 -22.741  21.437   8.558
  507   1HB   ASN  62          HB2       ASN  62 -22.113  23.819   8.518
  508   2HB   ASN  62          HB1       ASN  62 -21.156  22.877   7.378
  509   1HD2  ASN  62          HD21      ASN  62 -23.872  25.080   7.678
  510   2HD2  ASN  62          HD22      ASN  62 -23.796  25.690   6.063
  511    H    GLY  63           HN       GLY  63 -25.044  22.606   6.218
  512   1HA   GLY  63          HA2       GLY  63 -26.628  24.151   8.005
  513   2HA   GLY  63          HA1       GLY  63 -27.136  23.535   6.440
  514    H    SER  64           HN       SER  64 -26.496  22.421   9.759
  515    HA   SER  64           HA       SER  64 -29.021  20.979   9.730
  516   1HB   SER  64          HB2       SER  64 -27.983  18.878  10.515
  517   2HB   SER  64          HB1       SER  64 -27.439  19.310   8.894
  518    HG   SER  64           HG       SER  64 -25.771  18.641  10.446
  519    H    PHE  65           HN       PHE  65 -29.994  21.762  11.476
  520    HA   PHE  65           HA       PHE  65 -28.513  21.777  14.011
  521   1HB   PHE  65          HB2       PHE  65 -30.252  24.014  12.954
  522   2HB   PHE  65          HB1       PHE  65 -29.681  23.909  14.616
  523    HD1  PHE  65           HD1      PHE  65 -27.526  24.629  15.208
  524    HD2  PHE  65           HD2      PHE  65 -28.577  24.234  11.103
  525    HE1  PHE  65           HE1      PHE  65 -25.449  25.783  14.570
  526    HE2  PHE  65           HE2      PHE  65 -26.501  25.386  10.457
  527    HZ   PHE  65           HZ       PHE  65 -24.934  26.162  12.192
  528    H    ALA  66           HN       ALA  66 -29.747  21.381  15.860
  529    HA   ALA  66           HA       ALA  66 -32.601  20.894  15.564
  530   1HB   ALA  66          HB1       ALA  66 -31.101  18.667  16.822
  531   2HB   ALA  66          HB2       ALA  66 -31.066  18.784  15.063
  532   3HB   ALA  66          HB3       ALA  66 -32.608  18.646  15.906
  533    H    ASP  67           HN       ASP  67 -30.945  22.780  17.044
  534    HA   ASP  67           HA       ASP  67 -32.123  22.351  19.660
  535   1HB   ASP  67          HB2       ASP  67 -29.210  22.188  19.132
  536   2HB   ASP  67          HB1       ASP  67 -29.694  23.139  20.533
  537    H    GLU  68           HN       GLU  68 -32.517  24.205  17.465
  538    HA   GLU  68           HA       GLU  68 -32.912  26.418  17.122
  539   1HB   GLU  68          HB2       GLU  68 -32.412  26.635  20.097
  540   2HB   GLU  68          HB1       GLU  68 -33.183  27.855  19.093
  541   1HG   GLU  68          HG2       GLU  68 -34.242  25.079  19.576
  542   2HG   GLU  68          HG1       GLU  68 -34.793  26.542  20.392
  543    H    ASN  69           HN       ASN  69 -30.828  26.284  15.940
  544    HA   ASN  69           HA       ASN  69 -29.082  28.407  16.833
  545   1HB   ASN  69          HB2       ASN  69 -28.328  25.602  17.080
  546   2HB   ASN  69          HB1       ASN  69 -27.196  26.509  16.081
  547   1HD2  ASN  69          HD21      ASN  69 -26.223  28.407  16.993
  548   2HD2  ASN  69          HD22      ASN  69 -25.990  28.518  18.702
  549    H    LYS  70           HN       LYS  70 -27.507  29.044  15.157
  550    HA   LYS  70           HA       LYS  70 -27.452  28.001  12.570
  551   1HB   LYS  70          HB2       LYS  70 -29.762  29.713  13.160
  552   2HB   LYS  70          HB1       LYS  70 -28.802  30.298  11.808
  553   1HG   LYS  70          HG2       LYS  70 -29.362  28.559  10.474
  554   2HG   LYS  70          HG1       LYS  70 -29.471  27.420  11.817
  555   1HD   LYS  70          HD2       LYS  70 -31.683  27.640  11.812
  556   2HD   LYS  70          HD1       LYS  70 -31.508  29.358  12.176
  557   1HE   LYS  70          HE2       LYS  70 -31.803  29.989  10.005
  558   2HE   LYS  70          HE1       LYS  70 -31.104  28.502   9.364
  559   1HZ   LYS  70          HZ1       LYS  70 -33.208  27.408  10.286
  560   2HZ   LYS  70          HZ2       LYS  70 -33.347  28.323   8.870
  561   3HZ   LYS  70          HZ3       LYS  70 -33.846  28.975  10.349
  562    H    ASP  71           HN       ASP  71 -25.680  28.907  14.399
  563    HA   ASP  71           HA       ASP  71 -24.927  31.433  14.504
  564   1HB   ASP  71          HB2       ASP  71 -23.889  29.100  15.390
  565   2HB   ASP  71          HB1       ASP  71 -22.699  29.527  14.165
  566    H    TRP  72           HN       TRP  72 -22.775  32.123  13.618
  567    HA   TRP  72           HA       TRP  72 -21.960  31.549  10.994
  568   1HB   TRP  72          HB2       TRP  72 -24.348  33.015  11.062
  569   2HB   TRP  72          HB1       TRP  72 -23.099  34.193  10.675
  570    HD1  TRP  72           HD1      TRP  72 -25.193  31.538   9.125
  571    HE1  TRP  72           HE1      TRP  72 -24.482  31.162   6.680
  572    HE3  TRP  72           HE3      TRP  72 -20.806  34.163   9.141
  573    HZ2  TRP  72           HZ2      TRP  72 -22.345  31.882   4.983
  574    HZ3  TRP  72           HZ3      TRP  72 -19.488  34.270   7.066
  575    HH2  TRP  72           HH2      TRP  72 -20.243  33.153   5.031
  576   1H    MET 101          HT1       MET 101  21.258   6.241  14.048
  577   2H    MET 101          HT2       MET 101  22.789   5.471  14.141
  578   3H    MET 101          HT3       MET 101  22.136   6.258  15.519
  579    HA   MET 101           HA       MET 101  22.003   3.801  15.498
  580   1HB   MET 101          HB2       MET 101  20.667   5.311  16.933
  581   2HB   MET 101          HB1       MET 101  19.443   5.406  15.675
  582   1HG   MET 101          HG2       MET 101  19.224   2.900  15.877
  583   2HG   MET 101          HG1       MET 101  20.216   3.024  17.328
  584   1HE   MET 101          HE1       MET 101  18.437   1.955  18.897
  585   2HE   MET 101          HE2       MET 101  17.412   1.663  17.491
  586   3HE   MET 101          HE3       MET 101  16.737   2.425  18.932
  587    H    LYS 102           HN       LYS 102  22.193   2.536  13.700
  588    HA   LYS 102           HA       LYS 102  19.838   2.401  11.933
  589   1HB   LYS 102          HB2       LYS 102  22.531   2.895  11.245
  590   2HB   LYS 102          HB1       LYS 102  22.177   1.260  10.707
  591   1HG   LYS 102          HG2       LYS 102  21.197   2.099   8.913
  592   2HG   LYS 102          HG1       LYS 102  19.974   2.832   9.953
  593   1HD   LYS 102          HD2       LYS 102  20.881   4.592   8.655
  594   2HD   LYS 102          HD1       LYS 102  21.580   4.760  10.267
  595   1HE   LYS 102          HE2       LYS 102  23.173   3.052   8.539
  596   2HE   LYS 102          HE1       LYS 102  22.963   4.670   7.872
  597   1HZ   LYS 102          HZ1       LYS 102  24.890   4.129   9.538
  598   2HZ   LYS 102          HZ2       LYS 102  23.693   4.421  10.697
  599   3HZ   LYS 102          HZ3       LYS 102  24.099   5.625   9.581
  600    H    GLN 103           HN       GLN 103  19.347   0.266  11.051
  601    HA   GLN 103           HA       GLN 103  20.268  -1.902  12.807
  602   1HB   GLN 103          HB2       GLN 103  17.951  -1.390  13.267
  603   2HB   GLN 103          HB1       GLN 103  17.556  -1.434  11.553
  604   1HG   GLN 103          HG2       GLN 103  16.789  -3.449  12.447
  605   2HG   GLN 103          HG1       GLN 103  18.268  -3.832  11.573
  606   1HE2  GLN 103          HE21      GLN 103  18.564  -5.724  12.764
  607   2HE2  GLN 103          HE22      GLN 103  19.103  -5.696  14.405
  608    H    ARG 104           HN       ARG 104  21.438  -3.367  11.771
  609    HA   ARG 104           HA       ARG 104  21.411  -3.434   8.874
  610   1HB   ARG 104          HB2       ARG 104  23.472  -3.547  10.492
  611   2HB   ARG 104          HB1       ARG 104  23.089  -5.262  10.540
  612   1HG   ARG 104          HG2       ARG 104  23.430  -5.490   8.188
  613   2HG   ARG 104          HG1       ARG 104  23.547  -3.730   7.989
  614   1HD   ARG 104          HD2       ARG 104  25.520  -3.904   9.644
  615   2HD   ARG 104          HD1       ARG 104  25.503  -5.621   9.257
  616    HE   ARG 104           HE       ARG 104  26.199  -3.427   7.455
  617   1HH1  ARG 104          HH11      ARG 104  25.768  -6.862   7.940
  618   2HH1  ARG 104          HH12      ARG 104  26.709  -7.297   6.555
  619   1HH2  ARG 104          HH21      ARG 104  27.436  -4.006   5.638
  620   2HH2  ARG 104          HH22      ARG 104  27.654  -5.680   5.249
  621    H    ILE 105           HN       ILE 105  19.704  -4.525   8.068
  622    HA   ILE 105           HA       ILE 105  19.079  -7.168   9.191
  623    HB   ILE 105           HB       ILE 105  16.960  -6.699   8.655
  624   1HG1  ILE 105          HG12      ILE 105  17.878  -6.383   5.788
  625   2HG1  ILE 105          HG11      ILE 105  17.459  -7.904   6.559
  626   1HG2  ILE 105          HG21      ILE 105  17.701  -4.303   7.025
  627   2HG2  ILE 105          HG22      ILE 105  17.825  -4.300   8.781
  628   3HG2  ILE 105          HG23      ILE 105  16.273  -4.571   8.009
  629   1HD1  ILE 105          HD11      ILE 105  15.548  -5.601   6.143
  630   2HD1  ILE 105          HD12      ILE 105  15.158  -7.198   6.785
  631   3HD1  ILE 105          HD13      ILE 105  15.668  -7.025   5.107
  632    H    THR 106           HN       THR 106  20.363  -8.724   8.413
  633    HA   THR 106           HA       THR 106  21.137  -8.491   5.592
  634    HB   THR 106           HB       THR 106  23.106  -8.268   6.706
  635    HG1  THR 106           HG1      THR 106  23.131 -10.124   5.278
  636   1HG2  THR 106          HG21      THR 106  22.887  -8.540   8.939
  637   2HG2  THR 106          HG22      THR 106  23.677 -10.072   8.565
  638   3HG2  THR 106          HG23      THR 106  21.927 -10.011   8.778
  639    H    VAL 107           HN       VAL 107  20.066  -9.738   4.399
  640    HA   VAL 107           HA       VAL 107  19.442 -12.472   5.277
  641    HB   VAL 107           HB       VAL 107  17.370 -11.750   4.540
  642   1HG1  VAL 107          HG11      VAL 107  17.838 -10.536   1.967
  643   2HG1  VAL 107          HG12      VAL 107  18.686  -9.680   3.251
  644   3HG1  VAL 107          HG13      VAL 107  16.953  -9.930   3.366
  645   1HG2  VAL 107          HG21      VAL 107  18.696 -13.539   2.813
  646   2HG2  VAL 107          HG22      VAL 107  17.724 -12.477   1.789
  647   3HG2  VAL 107          HG23      VAL 107  16.964 -13.380   3.096
  648    H    THR 108           HN       THR 108  21.586 -13.176   4.991
  649    HA   THR 108           HA       THR 108  23.053 -12.848   2.645
  650    HB   THR 108           HB       THR 108  23.267 -14.425   5.070
  651    HG1  THR 108           HG1      THR 108  25.003 -13.295   5.009
  652   1HG2  THR 108          HG21      THR 108  24.994 -16.000   4.026
  653   2HG2  THR 108          HG22      THR 108  24.110 -15.746   2.522
  654   3HG2  THR 108          HG23      THR 108  23.291 -16.445   3.919
  655    H    VAL 109           HN       VAL 109  21.971 -13.163   0.802
  656    HA   VAL 109           HA       VAL 109  20.364 -15.520   0.422
  657    HB   VAL 109           HB       VAL 109  20.938 -13.246  -1.471
  658   1HG1  VAL 109          HG11      VAL 109  19.850 -14.375  -3.041
  659   2HG1  VAL 109          HG12      VAL 109  18.474 -14.613  -1.970
  660   3HG1  VAL 109          HG13      VAL 109  19.799 -15.772  -1.974
  661   1HG2  VAL 109          HG21      VAL 109  19.412 -13.310   0.874
  662   2HG2  VAL 109          HG22      VAL 109  18.249 -13.375  -0.444
  663   3HG2  VAL 109          HG23      VAL 109  19.411 -12.052  -0.358
  664    H    ASP 110           HN       ASP 110  21.767 -14.630  -2.543
  665    HA   ASP 110           HA       ASP 110  23.296 -15.595  -3.933
  666   1HB   ASP 110          HB2       ASP 110  24.883 -15.676  -2.015
  667   2HB   ASP 110          HB1       ASP 110  24.209 -17.236  -1.557
  668    H    SER 111           HN       SER 111  21.500 -17.543  -1.669
  669    HA   SER 111           HA       SER 111  21.036 -19.593  -3.710
  670   1HB   SER 111          HB2       SER 111  21.536 -19.690  -0.882
  671   2HB   SER 111          HB1       SER 111  19.941 -20.368  -1.209
  672    HG   SER 111           HG       SER 111  20.878 -21.829  -2.621
  673    H    ASP 112           HN       ASP 112  19.489 -17.468  -1.331
  674    HA   ASP 112           HA       ASP 112  16.827 -18.153  -2.029
  675   1HB   ASP 112          HB2       ASP 112  17.506 -15.475  -0.868
  676   2HB   ASP 112          HB1       ASP 112  16.137 -16.523  -0.530
  677    H    SER 113           HN       SER 113  15.294 -16.364  -2.836
  678    HA   SER 113           HA       SER 113  15.986 -15.857  -5.491
  679   1HB   SER 113          HB2       SER 113  13.722 -14.322  -4.446
  680   2HB   SER 113          HB1       SER 113  13.804 -15.412  -5.825
  681    HG   SER 113           HG       SER 113  13.252 -15.956  -3.147
  682    H    TYR 114           HN       TYR 114  16.603 -13.870  -2.790
  683    HA   TYR 114           HA       TYR 114  16.420 -11.288  -3.544
  684   1HB   TYR 114          HB2       TYR 114  17.540 -11.588  -1.594
  685   2HB   TYR 114          HB1       TYR 114  18.522 -12.875  -2.272
  686    HD1  TYR 114           HD1      TYR 114  20.633 -12.457  -3.222
  687    HD2  TYR 114           HD2      TYR 114  18.105  -9.214  -2.170
  688    HE1  TYR 114           HE1      TYR 114  22.500 -10.891  -3.601
  689    HE2  TYR 114           HE2      TYR 114  19.953  -7.631  -2.534
  690    HH   TYR 114           HH       TYR 114  23.170  -8.612  -2.870
  691    H    GLN 115           HN       GLN 115  19.096 -13.450  -4.420
  692    HA   GLN 115           HA       GLN 115  20.595 -11.851  -6.037
  693   1HB   GLN 115          HB2       GLN 115  21.076 -14.157  -7.258
  694   2HB   GLN 115          HB1       GLN 115  21.673 -13.811  -5.642
  695   1HG   GLN 115          HG2       GLN 115  20.369 -15.361  -4.684
  696   2HG   GLN 115          HG1       GLN 115  19.002 -15.020  -5.743
  697   1HE2  GLN 115          HE21      GLN 115  22.311 -15.975  -6.537
  698   2HE2  GLN 115          HE22      GLN 115  21.883 -17.438  -7.350
  699    H    LEU 116           HN       LEU 116  17.759 -13.761  -7.020
  700    HA   LEU 116           HA       LEU 116  18.013 -13.410  -9.777
  701   1HB   LEU 116          HB2       LEU 116  16.058 -14.432  -8.006
  702   2HB   LEU 116          HB1       LEU 116  15.244 -13.283  -9.056
  703    HG   LEU 116           HG       LEU 116  17.018 -15.415 -10.206
  704   1HD1  LEU 116          HD11      LEU 116  14.309 -16.196 -10.438
  705   2HD1  LEU 116          HD12      LEU 116  14.635 -15.896  -8.731
  706   3HD1  LEU 116          HD13      LEU 116  15.630 -17.039  -9.631
  707   1HD2  LEU 116          HD21      LEU 116  14.542 -14.279 -11.428
  708   2HD2  LEU 116          HD22      LEU 116  15.979 -14.941 -12.208
  709   3HD2  LEU 116          HD23      LEU 116  16.042 -13.350 -11.449
  710    H    LEU 117           HN       LEU 117  16.575 -11.311  -7.344
  711    HA   LEU 117           HA       LEU 117  15.543  -9.410  -9.204
  712   1HB   LEU 117          HB2       LEU 117  15.486  -9.855  -6.393
  713   2HB   LEU 117          HB1       LEU 117  16.056  -8.224  -6.663
  714    HG   LEU 117           HG       LEU 117  13.573  -8.506  -6.292
  715   1HD1  LEU 117          HD11      LEU 117  14.970  -6.913  -8.285
  716   2HD1  LEU 117          HD12      LEU 117  13.765  -6.439  -7.087
  717   3HD1  LEU 117          HD13      LEU 117  13.249  -7.105  -8.631
  718   1HD2  LEU 117          HD21      LEU 117  12.546 -10.072  -7.488
  719   2HD2  LEU 117          HD22      LEU 117  13.905 -10.230  -8.598
  720   3HD2  LEU 117          HD23      LEU 117  12.684  -8.987  -8.869
  721    H    LYS 118           HN       LYS 118  18.454  -9.611  -7.229
  722    HA   LYS 118           HA       LYS 118  19.408  -7.081  -8.139
  723   1HB   LYS 118          HB2       LYS 118  21.409  -7.522  -6.814
  724   2HB   LYS 118          HB1       LYS 118  19.949  -7.811  -5.877
  725   1HG   LYS 118          HG2       LYS 118  20.563  -9.892  -5.463
  726   2HG   LYS 118          HG1       LYS 118  20.745 -10.226  -7.186
  727   1HD   LYS 118          HD2       LYS 118  23.002  -9.111  -7.052
  728   2HD   LYS 118          HD1       LYS 118  22.808  -9.104  -5.299
  729   1HE   LYS 118          HE2       LYS 118  24.080 -11.029  -5.819
  730   2HE   LYS 118          HE1       LYS 118  22.453 -11.597  -5.448
  731   1HZ   LYS 118          HZ1       LYS 118  22.964 -12.745  -7.359
  732   2HZ   LYS 118          HZ2       LYS 118  23.817 -11.459  -8.052
  733   3HZ   LYS 118          HZ3       LYS 118  22.128 -11.416  -7.988
  734    H    ALA 119           HN       ALA 119  19.712 -10.294  -9.090
  735    HA   ALA 119           HA       ALA 119  22.068  -9.979 -10.678
  736   1HB   ALA 119          HB1       ALA 119  19.954 -12.129 -10.829
  737   2HB   ALA 119          HB2       ALA 119  21.390 -12.179  -9.806
  738   3HB   ALA 119          HB3       ALA 119  21.558 -12.188 -11.561
  739    H    TYR 120           HN       TYR 120  18.880  -9.011 -10.972
  740    HA   TYR 120           HA       TYR 120  19.214  -8.497 -13.807
  741   1HB   TYR 120          HB2       TYR 120  17.290  -9.556 -14.378
  742   2HB   TYR 120          HB1       TYR 120  17.431 -10.345 -12.807
  743    HD1  TYR 120           HD1      TYR 120  15.272  -8.439 -14.854
  744    HD2  TYR 120           HD2      TYR 120  16.453  -9.017 -10.820
  745    HE1  TYR 120           HE1      TYR 120  13.183  -7.400 -14.103
  746    HE2  TYR 120           HE2      TYR 120  14.365  -8.010 -10.058
  747    HH   TYR 120           HH       TYR 120  12.671  -6.357 -10.974
  748    H    ASP 121           HN       ASP 121  19.037  -7.067 -10.851
  749    HA   ASP 121           HA       ASP 121  18.644  -4.501 -11.700
  750   1HB   ASP 121          HB2       ASP 121  16.098  -5.936 -11.519
  751   2HB   ASP 121          HB1       ASP 121  16.132  -4.492 -10.513
  752    H    VAL 122           HN       VAL 122  20.316  -5.241 -10.031
  753    HA   VAL 122           HA       VAL 122  19.689  -5.627  -7.341
  754    HB   VAL 122           HB       VAL 122  21.852  -6.103  -8.188
  755   1HG1  VAL 122          HG11      VAL 122  23.413  -4.275  -8.844
  756   2HG1  VAL 122          HG12      VAL 122  22.048  -3.159  -8.784
  757   3HG1  VAL 122          HG13      VAL 122  22.042  -4.499  -9.934
  758   1HG2  VAL 122          HG21      VAL 122  22.971  -4.071  -6.545
  759   2HG2  VAL 122          HG22      VAL 122  22.615  -5.744  -6.118
  760   3HG2  VAL 122          HG23      VAL 122  21.398  -4.492  -5.864
  761    H    ASN 123           HN       ASN 123  17.904  -4.199  -7.335
  762    HA   ASN 123           HA       ASN 123  18.534  -1.714  -5.980
  763   1HB   ASN 123          HB2       ASN 123  18.035  -1.441  -8.557
  764   2HB   ASN 123          HB1       ASN 123  16.376  -1.708  -8.041
  765   1HD2  ASN 123          HD21      ASN 123  18.281   0.646  -8.933
  766   2HD2  ASN 123          HD22      ASN 123  17.765   1.930  -7.900
  767    H    ILE 124           HN       ILE 124  17.914  -3.576  -4.528
  768    HA   ILE 124           HA       ILE 124  15.091  -3.624  -4.175
  769    HB   ILE 124           HB       ILE 124  15.136  -5.847  -3.417
  770   1HG1  ILE 124          HG12      ILE 124  17.332  -5.935  -2.507
  771   2HG1  ILE 124          HG11      ILE 124  17.109  -7.251  -3.651
  772   1HG2  ILE 124          HG21      ILE 124  16.288  -6.675  -5.813
  773   2HG2  ILE 124          HG22      ILE 124  15.608  -5.073  -6.107
  774   3HG2  ILE 124          HG23      ILE 124  14.588  -6.367  -5.479
  775   1HD1  ILE 124          HD11      ILE 124  18.986  -5.071  -3.705
  776   2HD1  ILE 124          HD12      ILE 124  18.065  -5.227  -5.220
  777   3HD1  ILE 124          HD13      ILE 124  18.995  -6.602  -4.595
  778    H    SER 125           HN       SER 125  18.243  -3.702  -2.767
  779    HA   SER 125           HA       SER 125  17.829  -4.276  -0.190
  780   1HB   SER 125          HB2       SER 125  19.433  -2.327   0.351
  781   2HB   SER 125          HB1       SER 125  20.005  -3.627  -0.693
  782    HG   SER 125           HG       SER 125  19.650  -2.313  -2.473
  783    H    GLY 126           HN       GLY 126  17.183  -1.137  -1.696
  784   1HA   GLY 126          HA2       GLY 126  15.936   0.030   0.602
  785   2HA   GLY 126          HA1       GLY 126  15.791   0.604  -1.060
  786    H    LEU 127           HN       LEU 127  14.851  -1.748  -2.218
  787    HA   LEU 127           HA       LEU 127  12.106  -1.582  -2.021
  788   1HB   LEU 127          HB2       LEU 127  13.409  -2.621  -3.845
  789   2HB   LEU 127          HB1       LEU 127  13.805  -3.945  -2.763
  790    HG   LEU 127           HG       LEU 127  11.168  -4.147  -2.622
  791   1HD1  LEU 127          HD11      LEU 127  11.289  -2.097  -4.348
  792   2HD1  LEU 127          HD12      LEU 127   9.983  -3.284  -4.338
  793   3HD1  LEU 127          HD13      LEU 127  11.315  -3.448  -5.483
  794   1HD2  LEU 127          HD21      LEU 127  11.499  -6.073  -3.748
  795   2HD2  LEU 127          HD22      LEU 127  13.200  -5.595  -3.705
  796   3HD2  LEU 127          HD23      LEU 127  12.220  -5.258  -5.135
  797    H    VAL 128           HN       VAL 128  14.383  -3.840  -0.435
  798    HA   VAL 128           HA       VAL 128  12.631  -5.591   0.734
  799    HB   VAL 128           HB       VAL 128  15.219  -4.403   1.679
  800   1HG1  VAL 128          HG11      VAL 128  14.621  -4.863   3.805
  801   2HG1  VAL 128          HG12      VAL 128  14.983  -6.526   3.329
  802   3HG1  VAL 128          HG13      VAL 128  13.317  -5.949   3.311
  803   1HG2  VAL 128          HG21      VAL 128  15.158  -5.995  -0.202
  804   2HG2  VAL 128          HG22      VAL 128  14.439  -7.199   0.869
  805   3HG2  VAL 128          HG23      VAL 128  16.073  -6.607   1.180
  806    H    SER 129           HN       SER 129  13.762  -2.569   2.192
  807    HA   SER 129           HA       SER 129  11.948  -2.611   4.351
  808   1HB   SER 129          HB2       SER 129  13.006  -0.025   3.343
  809   2HB   SER 129          HB1       SER 129  12.959  -0.662   4.984
  810    HG   SER 129           HG       SER 129  14.606  -2.206   4.160
  811    H    THR 130           HN       THR 130  11.545  -1.687   1.032
  812    HA   THR 130           HA       THR 130   9.331   0.088   1.559
  813    HB   THR 130           HB       THR 130  10.400  -1.044  -1.034
  814    HG1  THR 130           HG1      THR 130  11.613   0.681  -1.107
  815   1HG2  THR 130          HG21      THR 130   8.687   1.384  -0.924
  816   2HG2  THR 130          HG22      THR 130   7.921  -0.206  -0.919
  817   3HG2  THR 130          HG23      THR 130   8.977   0.262  -2.253
  818    H    THR 131           HN       THR 131   9.764  -3.046  -0.052
  819    HA   THR 131           HA       THR 131   7.134  -3.598  -0.550
  820    HB   THR 131           HB       THR 131   9.353  -4.927  -1.093
  821    HG1  THR 131           HG1      THR 131   6.697  -5.722  -0.988
  822   1HG2  THR 131          HG21      THR 131   9.790  -6.842   0.118
  823   2HG2  THR 131          HG22      THR 131   8.249  -6.777   0.973
  824   3HG2  THR 131          HG23      THR 131   9.529  -5.632   1.374
  825    H    MET 132           HN       MET 132   8.945  -3.948   2.410
  826    HA   MET 132           HA       MET 132   6.874  -5.324   3.819
  827   1HB   MET 132          HB2       MET 132   9.515  -4.152   4.495
  828   2HB   MET 132          HB1       MET 132   8.363  -4.339   5.812
  829   1HG   MET 132          HG2       MET 132   9.073  -6.424   5.988
  830   2HG   MET 132          HG1       MET 132   8.234  -6.753   4.476
  831   1HE   MET 132          HE1       MET 132  12.256  -5.353   5.353
  832   2HE   MET 132          HE2       MET 132  12.350  -7.089   5.655
  833   3HE   MET 132          HE3       MET 132  11.093  -6.113   6.450
  834    H    GLN 133           HN       GLN 133   7.611  -2.024   3.099
  835    HA   GLN 133           HA       GLN 133   6.168  -0.773   5.187
  836   1HB   GLN 133          HB2       GLN 133   7.798   0.258   3.430
  837   2HB   GLN 133          HB1       GLN 133   6.371   0.366   2.411
  838   1HG   GLN 133          HG2       GLN 133   5.644   2.172   3.466
  839   2HG   GLN 133          HG1       GLN 133   5.856   1.421   5.047
  840   1HE2  GLN 133          HE21      GLN 133   8.162   2.289   2.501
  841   2HE2  GLN 133          HE22      GLN 133   9.144   3.305   3.495
  842    H    ASN 134           HN       ASN 134   5.285  -1.569   1.836
  843    HA   ASN 134           HA       ASN 134   2.618  -0.780   1.943
  844   1HB   ASN 134          HB2       ASN 134   3.632  -1.389  -0.170
  845   2HB   ASN 134          HB1       ASN 134   3.966  -3.019   0.403
  846   1HD2  ASN 134          HD21      ASN 134   2.730  -4.423  -0.577
  847   2HD2  ASN 134          HD22      ASN 134   1.057  -4.225  -0.962
  848    H    GLU 135           HN       GLU 135   4.198  -3.719   3.012
  849    HA   GLU 135           HA       GLU 135   1.758  -5.020   3.794
  850   1HB   GLU 135          HB2       GLU 135   4.637  -5.558   4.577
  851   2HB   GLU 135          HB1       GLU 135   3.277  -6.598   4.977
  852   1HG   GLU 135          HG2       GLU 135   2.930  -6.548   2.360
  853   2HG   GLU 135          HG1       GLU 135   4.654  -6.181   2.384
  854    H    ALA 136           HN       ALA 136   4.207  -2.972   5.212
  855    HA   ALA 136           HA       ALA 136   3.538  -3.136   7.914
  856   1HB   ALA 136          HB1       ALA 136   5.530  -1.961   6.823
  857   2HB   ALA 136          HB2       ALA 136   4.794  -1.176   8.219
  858   3HB   ALA 136          HB3       ALA 136   4.441  -0.594   6.593
  859    H    ARG 137           HN       ARG 137   2.362  -0.932   5.367
  860    HA   ARG 137           HA       ARG 137   0.521   0.452   7.024
  861   1HB   ARG 137          HB2       ARG 137   0.029  -0.051   4.117
  862   2HB   ARG 137          HB1       ARG 137  -0.407   1.357   5.079
  863   1HG   ARG 137          HG2       ARG 137   2.356   0.581   4.225
  864   2HG   ARG 137          HG1       ARG 137   1.406   1.931   3.614
  865   1HD   ARG 137          HD2       ARG 137   1.983   1.714   6.527
  866   2HD   ARG 137          HD1       ARG 137   3.236   2.309   5.439
  867    HE   ARG 137           HE       ARG 137   0.786   3.668   4.999
  868   1HH1  ARG 137          HH11      ARG 137   3.472   3.488   7.219
  869   2HH1  ARG 137          HH12      ARG 137   3.305   5.128   7.749
  870   1HH2  ARG 137          HH21      ARG 137   0.565   5.825   5.695
  871   2HH2  ARG 137          HH22      ARG 137   1.655   6.455   6.885
  872    H    ARG 138           HN       ARG 138   0.116  -1.994   4.572
  873    HA   ARG 138           HA       ARG 138  -2.553  -2.443   4.853
  874   1HB   ARG 138          HB2       ARG 138  -0.295  -3.976   3.745
  875   2HB   ARG 138          HB1       ARG 138  -1.729  -4.920   4.119
  876   1HG   ARG 138          HG2       ARG 138  -1.832  -4.229   1.832
  877   2HG   ARG 138          HG1       ARG 138  -3.066  -3.356   2.743
  878   1HD   ARG 138          HD2       ARG 138  -0.922  -1.676   2.935
  879   2HD   ARG 138          HD1       ARG 138  -0.704  -2.358   1.326
  880    HE   ARG 138           HE       ARG 138  -2.780  -0.556   2.188
  881   1HH1  ARG 138          HH11      ARG 138  -1.835  -2.931  -0.191
  882   2HH1  ARG 138          HH12      ARG 138  -2.917  -2.330  -1.402
  883   1HH2  ARG 138          HH21      ARG 138  -4.203   0.234   0.596
  884   2HH2  ARG 138          HH22      ARG 138  -4.261  -0.534  -0.956
  885    H    LEU 139           HN       LEU 139  -0.022  -3.450   6.985
  886    HA   LEU 139           HA       LEU 139  -0.922  -5.732   8.182
  887   1HB   LEU 139          HB2       LEU 139   0.348  -3.296   9.415
  888   2HB   LEU 139          HB1       LEU 139  -0.015  -4.719  10.365
  889    HG   LEU 139           HG       LEU 139   2.149  -4.252   8.419
  890   1HD1  LEU 139          HD11      LEU 139   3.425  -5.082  10.040
  891   2HD1  LEU 139          HD12      LEU 139   2.254  -6.326  10.484
  892   3HD1  LEU 139          HD13      LEU 139   2.029  -4.666  11.038
  893   1HD2  LEU 139          HD21      LEU 139   0.793  -6.040   7.316
  894   2HD2  LEU 139          HD22      LEU 139   1.022  -7.014   8.769
  895   3HD2  LEU 139          HD23      LEU 139   2.415  -6.534   7.802
  896    H    ARG 140           HN       ARG 140  -3.105  -6.010   8.321
  897    HA   ARG 140           HA       ARG 140  -4.479  -4.352  10.327
  898   1HB   ARG 140          HB2       ARG 140  -5.120  -3.974   7.840
  899   2HB   ARG 140          HB1       ARG 140  -5.948  -5.518   7.984
  900   1HG   ARG 140          HG2       ARG 140  -7.687  -4.537   8.934
  901   2HG   ARG 140          HG1       ARG 140  -6.659  -3.881  10.209
  902   1HD   ARG 140          HD2       ARG 140  -7.058  -1.854   9.390
  903   2HD   ARG 140          HD1       ARG 140  -6.139  -2.309   7.956
  904    HE   ARG 140           HE       ARG 140  -8.998  -2.063   8.185
  905   1HH1  ARG 140          HH11      ARG 140  -6.373  -3.494   6.383
  906   2HH1  ARG 140          HH12      ARG 140  -7.309  -3.694   4.940
  907   1HH2  ARG 140          HH21      ARG 140 -10.228  -2.325   6.287
  908   2HH2  ARG 140          HH22      ARG 140  -9.496  -3.030   4.885
  909    H    ALA 141           HN       ALA 141  -3.287  -7.309   9.776
  910    HA   ALA 141           HA       ALA 141  -3.651  -9.383  10.628
  911   1HB   ALA 141          HB1       ALA 141  -4.274  -9.431  12.795
  912   2HB   ALA 141          HB2       ALA 141  -5.752  -8.513  12.503
  913   3HB   ALA 141          HB3       ALA 141  -4.205  -7.676  12.633
  914    H    GLU 142           HN       GLU 142  -4.614 -10.745   9.272
  915    HA   GLU 142           HA       GLU 142  -6.192 -11.756   7.968
  916   1HB   GLU 142          HB2       GLU 142  -6.791 -12.111  10.571
  917   2HB   GLU 142          HB1       GLU 142  -8.281 -11.354  10.025
  918   1HG   GLU 142          HG2       GLU 142  -7.619 -13.321   8.121
  919   2HG   GLU 142          HG1       GLU 142  -7.407 -14.050   9.712
  920    H    ARG 143           HN       ARG 143  -8.873 -11.558   7.638
  921    HA   ARG 143           HA       ARG 143  -9.188  -8.813   6.626
  922   1HB   ARG 143          HB2       ARG 143 -10.426 -11.400   5.669
  923   2HB   ARG 143          HB1       ARG 143 -10.808  -9.812   5.017
  924   1HG   ARG 143          HG2       ARG 143  -8.172  -9.738   4.700
  925   2HG   ARG 143          HG1       ARG 143  -8.396 -11.488   4.652
  926   1HD   ARG 143          HD2       ARG 143 -10.409 -10.632   3.030
  927   2HD   ARG 143          HD1       ARG 143  -9.162  -9.427   2.708
  928    HE   ARG 143           HE       ARG 143  -8.071 -12.038   2.620
  929   1HH1  ARG 143          HH11      ARG 143 -10.070  -9.838   0.792
  930   2HH1  ARG 143          HH12      ARG 143  -9.655 -10.534  -0.738
  931   1HH2  ARG 143          HH21      ARG 143  -7.524 -12.956   0.608
  932   2HH2  ARG 143          HH22      ARG 143  -8.210 -12.304  -0.843
  933    H    TRP 144           HN       TRP 144  -9.820  -9.696   9.344
  934    HA   TRP 144           HA       TRP 144 -12.679  -9.009   9.335
  935   1HB   TRP 144          HB2       TRP 144 -11.859 -11.499   9.972
  936   2HB   TRP 144          HB1       TRP 144 -11.717 -10.729  11.549
  937    HD1  TRP 144           HD1      TRP 144 -14.361 -11.511   8.854
  938    HE1  TRP 144           HE1      TRP 144 -16.674 -11.543   9.982
  939    HE3  TRP 144           HE3      TRP 144 -13.006  -9.954  13.532
  940    HZ2  TRP 144           HZ2      TRP 144 -17.778 -10.983  12.519
  941    HZ3  TRP 144           HZ3      TRP 144 -14.751  -9.728  15.251
  942    HH2  TRP 144           HH2      TRP 144 -17.088 -10.232  14.754
  943    H    LYS 145           HN       LYS 145 -12.725  -6.996  10.108
  944    HA   LYS 145           HA       LYS 145 -11.699  -6.490  12.763
  945   1HB   LYS 145          HB2       LYS 145 -10.064  -5.841  10.623
  946   2HB   LYS 145          HB1       LYS 145 -10.868  -4.322  10.993
  947   1HG   LYS 145          HG2       LYS 145  -8.819  -4.416  12.213
  948   2HG   LYS 145          HG1       LYS 145 -10.154  -4.582  13.356
  949   1HD   LYS 145          HD2       LYS 145  -9.647  -6.748  13.844
  950   2HD   LYS 145          HD1       LYS 145  -9.014  -7.077  12.229
  951   1HE   LYS 145          HE2       LYS 145  -7.043  -7.068  13.346
  952   2HE   LYS 145          HE1       LYS 145  -7.169  -5.334  13.054
  953   1HZ   LYS 145          HZ1       LYS 145  -6.757  -6.387  15.455
  954   2HZ   LYS 145          HZ2       LYS 145  -8.447  -6.311  15.473
  955   3HZ   LYS 145          HZ3       LYS 145  -7.540  -4.906  15.218
  956    H    VAL 146           HN       VAL 146 -12.651  -4.448   9.999
  957    HA   VAL 146           HA       VAL 146 -15.169  -3.802  11.294
  958    HB   VAL 146           HB       VAL 146 -14.713  -1.319  11.005
  959   1HG1  VAL 146          HG11      VAL 146 -14.476  -2.932  13.152
  960   2HG1  VAL 146          HG12      VAL 146 -14.275  -1.181  13.213
  961   3HG1  VAL 146          HG13      VAL 146 -12.859  -2.228  13.107
  962   1HG2  VAL 146          HG21      VAL 146 -11.834  -1.791  11.398
  963   2HG2  VAL 146          HG22      VAL 146 -12.666  -0.518  10.506
  964   3HG2  VAL 146          HG23      VAL 146 -12.440  -2.105   9.772
  965    H    GLU 147           HN       GLU 147 -16.660  -3.873   9.760
  966    HA   GLU 147           HA       GLU 147 -17.714  -3.734   7.750
  967   1HB   GLU 147          HB2       GLU 147 -15.736  -1.494   7.595
  968   2HB   GLU 147          HB1       GLU 147 -16.672  -1.913   6.166
  969   1HG   GLU 147          HG2       GLU 147 -17.991  -0.297   7.092
  970   2HG   GLU 147          HG1       GLU 147 -18.699  -1.748   7.801
  971    H    ASN 148           HN       ASN 148 -17.199  -3.712   5.234
  972    HA   ASN 148           HA       ASN 148 -14.968  -5.591   4.809
  973   1HB   ASN 148          HB2       ASN 148 -17.595  -5.529   3.310
  974   2HB   ASN 148          HB1       ASN 148 -16.303  -6.710   3.118
  975   1HD2  ASN 148          HD21      ASN 148 -18.607  -5.414   5.453
  976   2HD2  ASN 148          HD22      ASN 148 -18.793  -6.879   6.351
  977    H    GLN 149           HN       GLN 149 -14.899  -5.746   2.117
  978    HA   GLN 149           HA       GLN 149 -13.477  -3.472   1.351
  979   1HB   GLN 149          HB2       GLN 149 -14.793  -5.552  -0.406
  980   2HB   GLN 149          HB1       GLN 149 -13.567  -4.408  -0.934
  981   1HG   GLN 149          HG2       GLN 149 -12.168  -5.464   1.000
  982   2HG   GLN 149          HG1       GLN 149 -13.300  -6.802   0.815
  983   1HE2  GLN 149          HE21      GLN 149 -11.399  -8.019   0.210
  984   2HE2  GLN 149          HE22      GLN 149 -10.825  -7.947  -1.417
  985    H    GLU 150           HN       GLU 150 -14.111  -1.516   0.741
  986    HA   GLU 150           HA       GLU 150 -16.902  -1.110  -0.007
  987   1HB   GLU 150          HB2       GLU 150 -16.466   1.280   0.468
  988   2HB   GLU 150          HB1       GLU 150 -16.159   0.243   1.854
  989   1HG   GLU 150          HG2       GLU 150 -13.869   0.518   1.722
  990   2HG   GLU 150          HG1       GLU 150 -13.923   1.003   0.028
  991    H    GLY 151           HN       GLY 151 -17.197   0.815  -1.588
  992   1HA   GLY 151          HA2       GLY 151 -16.461   1.962  -3.534
  993   2HA   GLY 151          HA1       GLY 151 -15.132   0.821  -3.671
  994    H    MET 152           HN       MET 152 -18.347  -0.339  -3.061
  995    HA   MET 152           HA       MET 152 -18.307  -1.890  -5.471
  996   1HB   MET 152          HB2       MET 152 -20.501  -1.515  -3.424
  997   2HB   MET 152          HB1       MET 152 -20.493  -2.727  -4.698
  998   1HG   MET 152          HG2       MET 152 -19.042  -4.060  -3.612
  999   2HG   MET 152          HG1       MET 152 -18.143  -2.708  -2.925
 1000   1HE   MET 152          HE1       MET 152 -20.470  -1.637   0.037
 1001   2HE   MET 152          HE2       MET 152 -20.092  -0.972  -1.551
 1002   3HE   MET 152          HE3       MET 152 -18.795  -1.555  -0.508
 1003    H    VAL 153           HN       VAL 153 -19.001  -1.276  -7.403
 1004    HA   VAL 153           HA       VAL 153 -21.188   0.672  -7.588
 1005    HB   VAL 153           HB       VAL 153 -19.982   1.719  -9.553
 1006   1HG1  VAL 153          HG11      VAL 153 -19.341   2.040  -6.689
 1007   2HG1  VAL 153          HG12      VAL 153 -19.990   3.202  -7.846
 1008   3HG1  VAL 153          HG13      VAL 153 -18.263   2.848  -7.827
 1009   1HG2  VAL 153          HG21      VAL 153 -17.368   0.984  -8.451
 1010   2HG2  VAL 153          HG22      VAL 153 -17.887   1.154 -10.128
 1011   3HG2  VAL 153          HG23      VAL 153 -18.220  -0.338  -9.248
 1012    H    GLU 154           HN       GLU 154 -22.761  -0.153  -8.786
 1013    HA   GLU 154           HA       GLU 154 -22.380  -2.484 -10.392
 1014   1HB   GLU 154          HB2       GLU 154 -24.648  -0.812  -9.524
 1015   2HB   GLU 154          HB1       GLU 154 -24.861  -1.596 -11.083
 1016   1HG   GLU 154          HG2       GLU 154 -23.886  -3.628  -9.530
 1017   2HG   GLU 154          HG1       GLU 154 -24.888  -2.722  -8.397
 1018    H    VAL 155           HN       VAL 155 -22.700   0.957 -11.025
 1019    HA   VAL 155           HA       VAL 155 -22.139   0.433 -13.857
 1020    HB   VAL 155           HB       VAL 155 -23.738   2.799 -12.915
 1021   1HG1  VAL 155          HG11      VAL 155 -22.668   1.926 -15.423
 1022   2HG1  VAL 155          HG12      VAL 155 -23.555   3.403 -15.049
 1023   3HG1  VAL 155          HG13      VAL 155 -24.429   1.944 -15.515
 1024   1HG2  VAL 155          HG21      VAL 155 -25.771   1.629 -13.469
 1025   2HG2  VAL 155          HG22      VAL 155 -24.888   0.710 -12.250
 1026   3HG2  VAL 155          HG23      VAL 155 -24.859   0.192 -13.935
 1027    H    ALA 156           HN       ALA 156 -22.279   3.639 -13.537
 1028    HA   ALA 156           HA       ALA 156 -19.793   4.207 -12.255
 1029   1HB   ALA 156          HB1       ALA 156 -19.242   3.157 -14.558
 1030   2HB   ALA 156          HB2       ALA 156 -18.403   4.626 -14.060
 1031   3HB   ALA 156          HB3       ALA 156 -19.744   4.720 -15.202
 1032    H    ARG 157           HN       ARG 157 -22.405   5.190 -11.971
 1033    HA   ARG 157           HA       ARG 157 -22.943   7.562 -13.354
 1034   1HB   ARG 157          HB2       ARG 157 -23.675   6.809 -10.519
 1035   2HB   ARG 157          HB1       ARG 157 -24.393   8.130 -11.431
 1036   1HG   ARG 157          HG2       ARG 157 -24.563   5.198 -12.096
 1037   2HG   ARG 157          HG1       ARG 157 -25.854   6.209 -11.445
 1038   1HD   ARG 157          HD2       ARG 157 -24.936   7.537 -13.732
 1039   2HD   ARG 157          HD1       ARG 157 -25.018   5.833 -14.176
 1040    HE   ARG 157           HE       ARG 157 -27.304   5.941 -14.054
 1041   1HH1  ARG 157          HH11      ARG 157 -25.948   8.774 -12.531
 1042   2HH1  ARG 157          HH12      ARG 157 -27.477   9.568 -12.361
 1043   1HH2  ARG 157          HH21      ARG 157 -29.316   6.984 -13.830
 1044   2HH2  ARG 157          HH22      ARG 157 -29.390   8.552 -13.097
 1045    H    PHE 158           HN       PHE 158 -22.680   9.757 -12.740
 1046    HA   PHE 158           HA       PHE 158 -20.668  10.325 -10.695
 1047   1HB   PHE 158          HB2       PHE 158 -19.814  10.104 -13.227
 1048   2HB   PHE 158          HB1       PHE 158 -20.352  11.780 -13.265
 1049    HD1  PHE 158           HD1      PHE 158 -19.669  12.608 -10.495
 1050    HD2  PHE 158           HD2      PHE 158 -17.497  10.296 -13.331
 1051    HE1  PHE 158           HE1      PHE 158 -17.558  13.311  -9.445
 1052    HE2  PHE 158           HE2      PHE 158 -15.381  10.994 -12.285
 1053    HZ   PHE 158           HZ       PHE 158 -15.411  12.503 -10.339
 1054    H    ILE 159           HN       ILE 159 -23.446  10.756 -10.646
 1055    HA   ILE 159           HA       ILE 159 -23.520  13.699 -10.621
 1056    HB   ILE 159           HB       ILE 159 -25.873  11.947 -11.326
 1057   1HG1  ILE 159          HG12      ILE 159 -24.064  11.926 -13.056
 1058   2HG1  ILE 159          HG11      ILE 159 -25.579  12.623 -13.621
 1059   1HG2  ILE 159          HG21      ILE 159 -26.072  14.682 -12.161
 1060   2HG2  ILE 159          HG22      ILE 159 -25.718  14.606 -10.435
 1061   3HG2  ILE 159          HG23      ILE 159 -27.124  13.763 -11.085
 1062   1HD1  ILE 159          HD11      ILE 159 -23.145  13.736 -13.976
 1063   2HD1  ILE 159          HD12      ILE 159 -23.675  14.552 -12.505
 1064   3HD1  ILE 159          HD13      ILE 159 -24.662  14.635 -13.964
 1065    H    GLU 160           HN       GLU 160 -22.906  13.416  -8.371
 1066    HA   GLU 160           HA       GLU 160 -24.660  12.069  -6.554
 1067   1HB   GLU 160          HB2       GLU 160 -23.275  13.146  -4.800
 1068   2HB   GLU 160          HB1       GLU 160 -22.318  12.283  -5.996
 1069   1HG   GLU 160          HG2       GLU 160 -22.771  15.141  -6.534
 1070   2HG   GLU 160          HG1       GLU 160 -21.766  14.765  -5.135
 1071    H    MET 161           HN       MET 161 -24.342  15.323  -7.779
 1072    HA   MET 161           HA       MET 161 -26.878  16.019  -6.526
 1073   1HB   MET 161          HB2       MET 161 -24.296  17.499  -6.064
 1074   2HB   MET 161          HB1       MET 161 -25.858  18.286  -5.888
 1075   1HG   MET 161          HG2       MET 161 -26.483  16.840  -4.114
 1076   2HG   MET 161          HG1       MET 161 -25.095  15.791  -4.400
 1077   1HE   MET 161          HE1       MET 161 -24.772  20.109  -2.872
 1078   2HE   MET 161          HE2       MET 161 -25.995  19.461  -3.965
 1079   3HE   MET 161          HE3       MET 161 -24.359  19.762  -4.551
 1080    H    ASN 162           HN       ASN 162 -27.356  18.461  -7.251
 1081    HA   ASN 162           HA       ASN 162 -27.338  18.360 -10.140
 1082   1HB   ASN 162          HB2       ASN 162 -29.166  19.250  -8.308
 1083   2HB   ASN 162          HB1       ASN 162 -28.450  20.763  -8.857
 1084   1HD2  ASN 162          HD21      ASN 162 -30.777  18.476  -9.455
 1085   2HD2  ASN 162          HD22      ASN 162 -31.148  18.885 -11.092
 1086    H    GLY 163           HN       GLY 163 -25.743  20.129  -7.597
 1087   1HA   GLY 163          HA2       GLY 163 -23.545  20.953  -8.922
 1088   2HA   GLY 163          HA1       GLY 163 -24.726  22.171  -9.380
 1089    H    SER 164           HN       SER 164 -26.130  22.203  -6.879
 1090    HA   SER 164           HA       SER 164 -24.245  22.814  -4.798
 1091   1HB   SER 164          HB2       SER 164 -24.549  24.846  -6.555
 1092   2HB   SER 164          HB1       SER 164 -25.886  25.192  -5.458
 1093    HG   SER 164           HG       SER 164 -23.877  26.181  -4.844
 1094    H    PHE 165           HN       PHE 165 -27.544  23.669  -5.861
 1095    HA   PHE 165           HA       PHE 165 -28.830  22.082  -3.929
 1096   1HB   PHE 165          HB2       PHE 165 -27.750  24.317  -2.758
 1097   2HB   PHE 165          HB1       PHE 165 -29.388  24.851  -3.120
 1098    HD1  PHE 165           HD1      PHE 165 -31.194  24.170  -1.799
 1099    HD2  PHE 165           HD2      PHE 165 -27.436  22.214  -1.405
 1100    HE1  PHE 165           HE1      PHE 165 -32.018  22.998   0.201
 1101    HE2  PHE 165           HE2      PHE 165 -28.253  21.037   0.595
 1102    HZ   PHE 165           HZ       PHE 165 -30.547  21.428   1.400
 1103    H    ALA 166           HN       ALA 166 -31.201  22.605  -3.778
 1104    HA   ALA 166           HA       ALA 166 -32.139  23.364  -6.422
 1105   1HB   ALA 166          HB1       ALA 166 -33.504  22.090  -4.062
 1106   2HB   ALA 166          HB2       ALA 166 -33.053  21.337  -5.591
 1107   3HB   ALA 166          HB3       ALA 166 -34.346  22.535  -5.546
 1108    H    ASP 167           HN       ASP 167 -31.794  25.629  -6.317
 1109    HA   ASP 167           HA       ASP 167 -33.950  27.034  -4.933
 1110   1HB   ASP 167          HB2       ASP 167 -31.507  27.055  -3.786
 1111   2HB   ASP 167          HB1       ASP 167 -31.331  28.420  -4.885
 1112    H    GLU 168           HN       GLU 168 -33.382  26.285  -7.716
 1113    HA   GLU 168           HA       GLU 168 -34.186  28.636  -8.996
 1114   1HB   GLU 168          HB2       GLU 168 -31.492  28.753  -8.461
 1115   2HB   GLU 168          HB1       GLU 168 -31.517  28.118 -10.100
 1116   1HG   GLU 168          HG2       GLU 168 -33.084  30.045 -10.649
 1117   2HG   GLU 168          HG1       GLU 168 -32.611  30.720  -9.091
 1118    H    ASN 169           HN       ASN 169 -34.922  28.218 -11.038
 1119    HA   ASN 169           HA       ASN 169 -34.010  25.951 -12.550
 1120   1HB   ASN 169          HB2       ASN 169 -35.511  24.859 -10.919
 1121   2HB   ASN 169          HB1       ASN 169 -36.825  25.909 -11.440
 1122   1HD2  ASN 169          HD21      ASN 169 -37.681  25.649 -13.533
 1123   2HD2  ASN 169          HD22      ASN 169 -37.496  24.164 -14.395
 1124    H    LYS 170           HN       LYS 170 -34.550  26.083 -14.701
 1125    HA   LYS 170           HA       LYS 170 -36.696  27.498 -15.795
 1126   1HB   LYS 170          HB2       LYS 170 -35.296  29.414 -16.780
 1127   2HB   LYS 170          HB1       LYS 170 -35.795  29.571 -15.101
 1128   1HG   LYS 170          HG2       LYS 170 -33.554  28.710 -14.430
 1129   2HG   LYS 170          HG1       LYS 170 -33.080  28.779 -16.128
 1130   1HD   LYS 170          HD2       LYS 170 -32.320  30.816 -15.370
 1131   2HD   LYS 170          HD1       LYS 170 -33.927  31.249 -15.955
 1132   1HE   LYS 170          HE2       LYS 170 -33.623  30.391 -13.121
 1133   2HE   LYS 170          HE1       LYS 170 -33.079  32.005 -13.575
 1134   1HZ   LYS 170          HZ1       LYS 170 -35.474  31.955 -14.722
 1135   2HZ   LYS 170          HZ2       LYS 170 -35.214  32.512 -13.146
 1136   3HZ   LYS 170          HZ3       LYS 170 -35.773  30.937 -13.404
 1137    H    ASP 171           HN       ASP 171 -35.487  25.092 -16.091
 1138    HA   ASP 171           HA       ASP 171 -33.525  24.584 -17.780
 1139   1HB   ASP 171          HB2       ASP 171 -35.237  22.971 -16.752
 1140   2HB   ASP 171          HB1       ASP 171 -36.163  23.211 -18.231
 1141    H    TRP 172           HN       TRP 172 -33.025  25.947 -19.439
 1142    HA   TRP 172           HA       TRP 172 -34.976  26.118 -21.640
 1143   1HB   TRP 172          HB2       TRP 172 -33.899  28.246 -20.148
 1144   2HB   TRP 172          HB1       TRP 172 -33.070  28.286 -21.701
 1145    HD1  TRP 172           HD1      TRP 172 -35.274  27.651 -23.735
 1146    HE1  TRP 172           HE1      TRP 172 -37.306  29.197 -24.062
 1147    HE3  TRP 172           HE3      TRP 172 -35.187  30.069 -19.231
 1148    HZ2  TRP 172           HZ2      TRP 172 -38.688  31.180 -22.603
 1149    HZ3  TRP 172           HZ3      TRP 172 -36.898  31.776 -18.776
 1150    HH2  TRP 172           HH2      TRP 172 -38.612  32.320 -20.428